A0A087Y6G9_POEFO Loading...

Guanylate cyclase

AlphaFold DB , UniProt , Accession A0A087Y6G9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,086 aa.

						>A0A087Y6G9_POEFO|A0A087Y6G9
MRSWDCLLYLGVLGAVGLVAAGHKMLDDCLASNRKYKMNVVVLEDNNFEWSRPFVQTAVEQAIEKDRQKNIDNDLDLVLTANYNGFNTTVYNRQGCGSSTCEGVAILKKLDHSNEVGCVMLGPSCTFATFQLVDEEIGLTLSIPIISAGSFGLSCDYKPKLTRTLPPARKIIDLFLNFKTEELRFKPEWEKFYVYKKQVNNATEDCFWYINALEAPSARFASQTQRVMVREKKDLQNIMKTSKRNSNIIILCGGPEEISLIKSDVDQIHPDTLFILLDLYNPEYYINEMAHEWMQDVLVVTLPQRNYSYNSNSSYNDMINDYMAGYHDGALLFGQVLRDRLMSKKLGRKSEDVNHNPFANVTIEGMGGHVVLDKHGDRDVNFSFIYTSVKTGKYETLLVFDSSQNRTIETHPNPALGWKGQLPDDEPENPEDLGTQDVIVIVLGVSVVVVTAIALIFYRQNRKERQMQKKWSHLSPHMIGPLDEKEVSLKKQIDDDKRKDSTYFRQRGCYDKKPVILKELKHAEGDFTEEQKIELNTLLRIDYYNLTKFYGTVKFEYGVFGVFELCQRGSLRYILNDRISYPDETFMDMEFKISVMYDIAKGMSYLHSSSIPVHGRLKSTNCVVDNRMVVKITDFGCHTILMPGRDLWTAPEHLRKDGVSQKGDVYSYGIIAHEIVLRQMPFYTRSCFNTAEKLHRVQYPRGNGFFRPDLYFEGISDKEIELYMLIKSCWDEDPERRPDFKRIELTLGKIFSNLHNQATETYMDNLIRRLQMYSRTLECLVEERTALYKAERDRADRLNFMLLPGPVVRSLKETGRVEPELFEEVTIYFSDIVGFTTLCHYSTPMEVVDMLNEIYKNFDSILDHHDVYKVETIGDAYMVASGLPKRNGDRHAVDIAHMALDLLSFVGTFELQHLPGIPLWIRIGVHSGPCAAGVVGHKMPRYCLFGDTVNTASRMESTGLPLRIHASQSTINILRRTDCQFEFEKRGETYLKGKGKEMTYWLTGVTGRTYNLPTPPTAENFQRLQQDLADMIVSSLEKHRAGREGFEKRKTLSTRVRWRDTNGSLRKDGPPEYFHLAVTDNPSTFL
					

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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	36.1	Very low	30.3	Very low	242 Å²	242	148 Å²	148	100%	1.192	74%	0.742	S	S	*	*				0	157.1	0	-65.6	166.2	81.5	0	0	108.1
2	R	29.5	Very low	30.6	Very low	236 Å²	236	142.7 Å²	142.7	89%	0.891	72%	0.723	S	S	*	*			trans	68.2	82.1	-159.1	-60	-178.3	173.7	179.7	-2.2	114.1
3	S	27.1	Very low	30.7	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	71%	0.713	S	S	*	*	S	Bend	trans	-166.6	10.6	157	-161.7	0	0	0	0	113.4
4	W	27.2	Very low	31	Very low	223 Å²	223	133.3 Å²	133.3	85%	0.845	69%	0.692	S	S	*	*	S	Bend	trans	-108.4	-20	-176.7	-83.5	30.9	0	0	0	112.7	C6 L7	W4-C6 VanDerWaalsContact C-N 3.32Å; W4-C6 PolarHBondContact O-N 3.45Å; W4-L7 PolarHBondContact O-N 2.72Å
5	D	26.7	Very low	31.2	Very low	103 Å²	103	127.8 Å²	127.8	55%	0.551	67%	0.674	S	S	*	*	H	α-helix	trans	-71	-24.6	-171.5	-44.4	-78.5	0	0	0	113.3
6	C	28.2	Very low	31.3	Very low	104 Å²	104	125.6 Å²	125.6	70%	0.703	67%	0.667	S	S	*	*	H	α-helix	trans	-72.5	-25.6	-179.8	-66.7	0	0	0	0	114.3	W4	W4-C6 VanDerWaalsContact C-N 3.32Å; W4-C6 PolarHBondContact O-N 3.45Å
7	L	30.7	Very low	31.5	Very low	136 Å²	136	120.9 Å²	120.9	71%	0.712	66%	0.656	S	S	*	*	H	α-helix	trans	-75.9	-30.6	180	-82.8	163.6	0	0	0	112.4	W4	W4-L7 PolarHBondContact O-N 2.72Å
8	L	31.3	Very low	31.8	Very low	131 Å²	131	119.8 Å²	119.8	69%	0.686	65%	0.649	S	S	*	*	H	α-helix	trans	-67.5	-36.8	175.3	-80.2	159.5	0	0	0	112.3	L10 G11 V12	L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.9Å; L8-G11 PolarHBondContact O-N 3.07Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.01Å; L8-V12 VanDerWaalsContact O-N 3.12Å
9	Y	29.8	Very low	32.1	Very low	175 Å²	175	117.9 Å²	117.9	69%	0.686	64%	0.641	S	S	*	*	H	α-helix	trans	-65.9	-31.2	179.7	-96.5	-87.7	0	0	0	114.1	V12 L13	Y9-V12 PolarHBondContact O-N 3.41Å; Y9-L13 WeakPolarHBondContact O-CG 3.25Å; Y9-L13 PolarHBondContact O-N 2.61Å
10	L	33.4	Very low	32.4	Very low	122 Å²	122	115.2 Å²	115.2	64%	0.639	64%	0.635	S	S	*	*	H	α-helix	trans	-71.2	-37.5	175.2	-86.1	161.3	0	0	0	112.4	L8 V12 L13 G14	L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.9Å; L10-V12 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-G14 PolarHBondContact O-N 3.48Å
11	G	33.3	Very low	32.8	Very low	52 Å²	52	112.3 Å²	112.3	54%	0.536	63%	0.626	S	S	.	*	H	α-helix	trans	-62.4	-41	171.8	0	0	0	0	0	112.5	L8 G14 A15	L8-G11 PolarHBondContact O-N 3.07Å; G11-G14 PolarHBondContact O-N 3Å; G11-A15 PolarHBondContact O-N 3.33Å
12	V	34.1	Very low	33.1	Very low	84 Å²	84	102.5 Å²	102.5	51%	0.509	59%	0.587	S	S	.	*	H	α-helix	trans	-65.9	-40.4	175.6	174.1	0	0	0	0	111.8	L8 Y9 L10 A15 V16	L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.01Å; L8-V12 VanDerWaalsContact O-N 3.12Å; Y9-V12 PolarHBondContact O-N 3.41Å; L10-V12 VanDerWaalsContact C-N 3.35Å; V12-A15 PolarHBondContact O-N 3.27Å; V12-V16 HydrophobicContact CG1-CG2 4.44Å; V12-V16 WeakPolarHBondContact O-CG2 3.43Å; V12-V16 PolarHBondContact O-N 2.77Å
13	L	31.8	Very low	33.9	Very low	114 Å²	114	94 Å²	94	60%	0.597	56%	0.558	S	S	*	*	H	α-helix	trans	-64.8	-38	175.6	-80.2	164.7	0	0	0	112.7	Y9 L10 V16 G17	Y9-L13 WeakPolarHBondContact O-CG 3.25Å; Y9-L13 PolarHBondContact O-N 2.61Å; L10-L13 PolarHBondContact O-N 3.14Å; L13-V16 PolarHBondContact O-N 3.47Å; L13-G17 PolarHBondContact O-N 2.91Å
14	G	35.3	Very low	35	Very low	40 Å²	40	95.1 Å²	95.1	41%	0.412	55%	0.55	S	S	.	.	H	α-helix	trans	-60.8	-45.4	171.2	0	0	0	0	0	112.4	L10 G11 V16 G17 L18	L10-G14 PolarHBondContact O-N 3.48Å; G11-G14 PolarHBondContact O-N 3Å; G14-V16 PolarHBondContact O-N 3.18Å; G14-G17 PolarHBondContact O-N 2.99Å; G14-L18 PolarHBondContact O-N 2.99Å
15	A	33.5	Very low	36.4	Very low	51 Å²	51	86.6 Å²	86.6	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.1	0	0	0	0	0	112.7	G11 V12 G17 L18 V19	G11-A15 PolarHBondContact O-N 3.33Å; V12-A15 PolarHBondContact O-N 3.27Å; A15-G17 VanDerWaalsContact C-N 3.32Å; A15-G17 PolarHBondContact O-N 3.41Å; A15-L18 PolarHBondContact O-N 2.96Å; A15-V19 WeakPolarHBondContact O-CG2 3.33Å; A15-V19 PolarHBondContact O-N 3.37Å
16	V	32.7	Very low	38	Very low	92 Å²	92	82 Å²	82	56%	0.558	50%	0.495	S	S	*	.	H	α-helix	trans	-64.8	-35.4	176.3	170.5	0	0	0	0	111.8	V12 L13 G14 A20	V12-V16 HydrophobicContact CG1-CG2 4.44Å; V12-V16 WeakPolarHBondContact O-CG2 3.43Å; V12-V16 PolarHBondContact O-N 2.77Å; L13-V16 PolarHBondContact O-N 3.47Å; G14-V16 PolarHBondContact O-N 3.18Å; V16-A20 PolarHBondContact O-N 2.97Å
17	G	34.4	Very low	39.7	Very low	47 Å²	47	79.8 Å²	79.8	49%	0.485	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-43.6	171.5	0	0	0	0	0	113.1	L13 G14 A15 A20	L13-G17 PolarHBondContact O-N 2.91Å; G14-G17 PolarHBondContact O-N 2.99Å; A15-G17 VanDerWaalsContact C-N 3.32Å; A15-G17 PolarHBondContact O-N 3.41Å; G17-A20 PolarHBondContact O-N 3.3Å
18	L	36.8	Very low	41.3	Very low	101 Å²	101	78 Å²	78	53%	0.529	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-40.1	177	-79.1	160.7	0	0	0	112.8	G14 A15 A20 A21	G14-L18 PolarHBondContact O-N 2.99Å; A15-L18 PolarHBondContact O-N 2.96Å; L18-A20 PolarHBondContact O-N 3.22Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-A21 VanDerWaalsContact O-N 3.11Å
19	V	37.6	Very low	42.9	Very low	83 Å²	83	72.5 Å²	72.5	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-57.6	-34.7	176.8	164.5	0	0	0	0	112.1	A15 A21	A15-V19 WeakPolarHBondContact O-CG2 3.33Å; A15-V19 PolarHBondContact O-N 3.37Å; V19-A21 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 3.4Å
20	A	37.8	Very low	44.5	Very low	63 Å²	63	65.1 Å²	65.1	52%	0.521	41%	0.412	S	S	.	.	H	α-helix	trans	-74.2	-19.2	179.5	0	0	0	0	0	114.3	V16 G17 L18 K24	V16-A20 PolarHBondContact O-N 2.97Å; G17-A20 PolarHBondContact O-N 3.3Å; L18-A20 PolarHBondContact O-N 3.22Å; A20-K24 VanDerWaalsContact O-CB 3.27Å; A20-K24 WeakPolarHBondContact O-CB 3.28Å
21	A	41.9	Very low	46	Very low	55 Å²	55	63.4 Å²	63.4	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-78.9	-49.9	-172.8	0	0	0	0	0	113.2	L18 V19 K24	L18-A21 PolarHBondContact O-N 3.44Å; L18-A21 VanDerWaalsContact O-N 3.11Å; V19-A21 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 3.4Å; A21-K24 PolarHBondContact O-N 3.16Å
22	G	41.7	Very low	47.2	Very low	36 Å²	36	63.4 Å²	63.4	37%	0.371	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-47.4	-170.4	0	0	0	0	0	114.5
23	H	46.8	Very low	48.5	Very low	58 Å²	58	66.8 Å²	66.8	27%	0.269	42%	0.422	S	S	.	.	H	α-helix	trans	-64.3	-46.4	177.7	-86.9	-84.9	0	0	0	112.2	M25 L26 D27 R340 D352	H23-M25 PolarHBondContact O-N 3.44Å; H23-M25 VanDerWaalsContact O-N 3.08Å; H23-L26 PolarHBondContact O-N 3.23Å; H23-D27 PolarHBondContact O-N 2.8Å; H23-R340 PolarHBondContact ND1-NH1 2.7Å; H23-R340 VanDerWaalsContact ND1-NH1 3.16Å; H23-D352 PolarHBondContact NE2-O 2.84Å
24	K	50.8	Low	50.1	Low	128 Å²	128	68.5 Å²	68.5	56%	0.557	42%	0.421	S	S	*	.	H	α-helix	trans	-57.2	-31.3	-173	-170.9	-178.7	176.7	-171.5	0	112.5	A20 A21 D27 D28	A20-K24 VanDerWaalsContact O-CB 3.27Å; A20-K24 WeakPolarHBondContact O-CB 3.28Å; A21-K24 PolarHBondContact O-N 3.16Å; K24-D27 CarbonylContact O-C 3.54Å; K24-D27 PolarHBondContact O-N 2.91Å; K24-D28 VanDerWaalsContact O-CB 3.32Å; K24-D28 WeakPolarHBondContact O-CB 3.44Å; K24-D28 PolarHBondContact O-N 3.18Å
25	M	56.1	Low	52.1	Low	44 Å²	44	74 Å²	74	22%	0.217	43%	0.433	C	S	.	.	H	α-helix	trans	-68.8	-47.5	-179.7	-74	-153.1	72.1	0	0	115.5	H23 D27 D28 C29 S142 I143	H23-M25 PolarHBondContact O-N 3.44Å; H23-M25 VanDerWaalsContact O-N 3.08Å; M25-D27 PolarHBondContact O-N 3.43Å; M25-D28 PolarHBondContact O-N 3.26Å; M25-C29 WeakPolarHBondContact O-CB 3.23Å; M25-C29 PolarHBondContact O-N 3Å; M25-S142 WeakPolarHBondContact CE-OG 3.36Å; M25-S142 WeakPolarHBondContact SD-CB 3.14Å; M25-S142 PolarHBondContact SD-OG 3.3Å; M25-I143 HydrophobicContact CE-CB 4.34Å; M25-I143 HydrophobicContact CE-CG2 3.8Å
26	L	60.9	Low	54.5	Low	7 Å²	7	71.9 Å²	71.9	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-68.6	-31.8	176.7	-164.7	68.4	0	0	0	109.1	H23 L30 F333 V336 L337 R340	H23-L26 PolarHBondContact O-N 3.23Å; L26-L30 HydrophobicContact CG-CD1 4.15Å; L26-L30 HydrophobicContact CG-CG 4.5Å; L26-L30 VanDerWaalsContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CD1 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.97Å; L26-F333 HydrophobicContact CD1-CE2 4.31Å; L26-V336 HydrophobicContact CD2-CG1 4.07Å; L26-L337 HydrophobicContact CD1-CD2 4.04Å; L26-R340 HydrophobicContact CD2-CG 3.92Å
27	D	63.2	Low	57	Low	56 Å²	56	70.2 Å²	70.2	30%	0.299	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-42	171.8	-77.1	-37.1	0	0	0	113.9	H23 K24 M25 C29 L30 A31 K344	H23-D27 PolarHBondContact O-N 2.8Å; K24-D27 CarbonylContact O-C 3.54Å; K24-D27 PolarHBondContact O-N 2.91Å; M25-D27 PolarHBondContact O-N 3.43Å; D27-C29 VanDerWaalsContact C-N 3.35Å; D27-L30 CarbonylContact O-C 3.5Å; D27-L30 PolarHBondContact O-N 2.89Å; D27-A31 PolarHBondContact O-N 3.33Å; D27-K344 VanDerWaalsContact OD1-CE 3.31Å; D27-K344 WeakPolarHBondContact OD1-CE 3.43Å; D27-K344 IonicContact OD1-NZ 2.7Å; D27-K344 PolarHBondContact OD1-NZ 2.95Å
28	D	63.5	Low	59.6	Low	100 Å²	100	68 Å²	68	54%	0.535	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-39.2	174.7	-74.6	-23	0	0	0	110.5	K24 M25 A31	K24-D28 VanDerWaalsContact O-CB 3.32Å; K24-D28 WeakPolarHBondContact O-CB 3.44Å; K24-D28 PolarHBondContact O-N 3.18Å; M25-D28 PolarHBondContact O-N 3.26Å; D28-A31 WeakPolarHBondContact O-CB 3.48Å; D28-A31 PolarHBondContact O-N 3.39Å
29	C	66.4	Low	62.1	Low	15 Å²	15	63.2 Å²	63.2	10%	0.101	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-48.2	169.9	170.1	0	0	0	0	112.1	M25 D27 A31 S32 Y36 C118	M25-C29 WeakPolarHBondContact O-CB 3.23Å; M25-C29 PolarHBondContact O-N 3Å; D27-C29 VanDerWaalsContact C-N 3.35Å; C29-A31 PolarHBondContact O-N 2.92Å; C29-S32 WeakPolarHBondContact O-CB 3.42Å; C29-S32 PolarHBondContact O-N 3.47Å; C29-S32 VanDerWaalsContact O-N 3.08Å; C29-S32 PolarHBondContact O-OG 3.41Å; C29-Y36 VanDerWaalsContact SG-CD1 3.52Å; C29-C118 HydrophobicContact CB-CB 3.92Å; C29-C118 WeakPolarHBondContact CB-SG 3.48Å; C29-C118 WeakPolarHBondContact SG-CB 3.34Å; C29-C118 CovalentContact SG-SG 2.03Å; C29-C118 PolarHBondContact SG-SG 2.79Å
30	L	63.3	Low	64.5	Low	20 Å²	20	59.2 Å²	59.2	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-8.8	178.7	-72.6	169.2	0	0	0	113.6	L26 D27 S32 Y36 L337 R340 L341	L26-L30 HydrophobicContact CG-CD1 4.15Å; L26-L30 HydrophobicContact CG-CG 4.5Å; L26-L30 VanDerWaalsContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CD1 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.97Å; D27-L30 CarbonylContact O-C 3.5Å; D27-L30 PolarHBondContact O-N 2.89Å; L30-S32 VanDerWaalsContact C-N 3.29Å; L30-Y36 HydrophobicContact CD2-CE1 4.27Å; L30-L337 HydrophobicContact CD2-CD2 3.77Å; L30-L337 HydrophobicContact CG-CD2 4.36Å; L30-R340 HydrophobicContact CD1-CB 4.01Å; L30-L341 HydrophobicContact CD2-CD1 4.15Å; L30-L341 HydrophobicContact CD2-CD2 3.9Å; L30-L341 HydrophobicContact CD2-CG 3.79Å
31	A	63.9	Low	66.6	Low	85 Å²	85	56.3 Å²	56.3	70%	0.702	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.9	170.8	0	0	0	0	0	113.3	D27 D28 C29	D27-A31 PolarHBondContact O-N 3.33Å; D28-A31 WeakPolarHBondContact O-CB 3.48Å; D28-A31 PolarHBondContact O-N 3.39Å; C29-A31 PolarHBondContact O-N 2.92Å
32	S	59.1	Low	68.2	Low	52 Å²	52	53.9 Å²	53.9	36%	0.364	28%	0.283	S	S	.	.	S	Bend	trans	-89.5	170.2	-177.9	74.6	0	0	0	0	114.2	C29 L30 R34	C29-S32 WeakPolarHBondContact O-CB 3.42Å; C29-S32 PolarHBondContact O-N 3.47Å; C29-S32 VanDerWaalsContact O-N 3.08Å; C29-S32 PolarHBondContact O-OG 3.41Å; L30-S32 VanDerWaalsContact C-N 3.29Å; S32-R34 VanDerWaalsContact C-N 3.3Å; S32-R34 PolarHBondContact O-N 3.48Å
33	N	61	Low	69.4	Low	156 Å²	156	54 Å²	54	83%	0.834	28%	0.275	S	S	*	.			trans	-74.1	62	-170.2	-79	-33.6	0	0	0	114.9	K35	N33-K35 PolarHBondContact O-N 2.93Å
34	R	66.3	Low	70.2	Confident	149 Å²	149	54.6 Å²	54.6	56%	0.562	28%	0.278	S	S	*	.	S	Bend	trans	55.5	0.3	170.1	-66	-177.9	173.5	-170.4	-3.3	117.8	S32 D76 V78	S32-R34 VanDerWaalsContact C-N 3.3Å; S32-R34 PolarHBondContact O-N 3.48Å; R34-D76 WeakPolarHBondContact CD-O 3.44Å; R34-D76 WeakPolarHBondContact CD-OD2 3.42Å; R34-D76 IonicContact CZ-OD2 2.7Å; R34-D76 IonicContact NE-OD2 2.85Å; R34-D76 IonicContact NH1-OD2 2.67Å; R34-D76 PolarHBondContact NH1-OD2 3.49Å; R34-V78 PolarHBondContact O-N 3.26Å; R34-V78 VanDerWaalsContact O-N 3.12Å
35	K	75.6	Confident	70.6	Confident	156 Å²	156	49.9 Å²	49.9	68%	0.678	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	106	-177.8	-68.3	-176.1	176.4	-175.3	0	109	N33 V78	N33-K35 PolarHBondContact O-N 2.93Å; K35-V78 CarbonylContact C-O 3.59Å; K35-V78 WeakPolarHBondContact CA-O 3.47Å; K35-V78 HydrophobicContact CG-CB 4.23Å
36	Y	84.2	Confident	70.8	Confident	6 Å²	6	53 Å²	53	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.8	-174.8	-57.4	-74.8	0	0	0	110.2	C29 L30 L77 V78 T80 L337	C29-Y36 VanDerWaalsContact SG-CD1 3.52Å; L30-Y36 HydrophobicContact CD2-CE1 4.27Å; Y36-L77 HydrophobicContact CD2-CD1 3.89Å; Y36-L77 HydrophobicContact CD2-CD2 4.06Å; Y36-L77 HydrophobicContact CD2-CG 3.74Å; Y36-L77 HydrophobicContact CE2-CD1 3.61Å; Y36-L77 HydrophobicContact CE2-CG 3.73Å; Y36-V78 PolarHBondContact N-O 3Å; Y36-T80 PolarHBondContact O-N 3.09Å; Y36-T80 PolarHBondContact O-OG1 3.39Å; Y36-L337 HydrophobicContact CD1-CD1 4.3Å; Y36-L337 HydrophobicContact CD1-CD2 4.33Å; Y36-L337 HydrophobicContact CD2-CD1 3.86Å; Y36-L337 HydrophobicContact CE1-CD2 4.36Å; Y36-L337 HydrophobicContact CE2-CD1 4.49Å; Y36-L337 HydrophobicContact CG-CD1 3.74Å
37	K	85.3	Confident	70.7	Confident	58 Å²	58	59.4 Å²	59.4	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.8	179.4	-179.6	-175.2	-83.1	-163.9	0	110	T80 N82 E115 G117 C118	K37-T80 WeakPolarHBondContact CA-O 3.46Å; K37-N82 HydrophobicContact CD-CB 4.23Å; K37-N82 WeakPolarHBondContact CE-OD1 3.29Å; K37-N82 HydrophobicContact CG-CB 4.49Å; K37-N82 PolarHBondContact NZ-ND2 3.01Å; K37-N82 PolarHBondContact NZ-OD1 3.1Å; K37-N82 VanDerWaalsContact NZ-OD1 3.1Å; K37-E115 IonicContact NZ-OE1 2.65Å; K37-E115 PolarHBondContact NZ-OE1 3.46Å; K37-G117 CarbonylContact O-C 3.57Å; K37-G117 VanDerWaalsContact O-CA 3.29Å; K37-G117 WeakPolarHBondContact O-CA 3.05Å; K37-C118 PolarHBondContact O-N 2.7Å
38	M	90	Very high	70.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148.7	165.2	-51.9	-172.6	-67.8	0	0	109.4	V59 I63 L79 T80 A81 N82 V119 L121 A330 F333	M38-V59 HydrophobicContact CE-CG1 4.02Å; M38-I63 HydrophobicContact CE-CD1 3.74Å; M38-I63 HydrophobicContact CE-CG1 3.81Å; M38-L79 HydrophobicContact CE-CD1 4.35Å; M38-L79 HydrophobicContact CE-CD2 3.99Å; M38-L79 HydrophobicContact CE-CG 4.06Å; M38-L79 HydrophobicContact CG-CD1 3.8Å; M38-L79 HydrophobicContact SD-CD1 4.05Å; M38-L79 HydrophobicContact SD-CD2 4.11Å; M38-L79 HydrophobicContact SD-CG 4.32Å; M38-T80 PolarHBondContact N-O 3Å; M38-A81 HydrophobicContact CE-CB 4.25Å; M38-A81 WeakPolarHBondContact O-CA 3.38Å; M38-N82 PolarHBondContact O-N 3.46Å; M38-V119 HydrophobicContact CB-CG1 4Å; M38-V119 HydrophobicContact CG-CG1 3.67Å; M38-V119 HydrophobicContact SD-CG1 4.28Å; M38-L121 HydrophobicContact CB-CD1 4.4Å; M38-L121 HydrophobicContact SD-CD1 4.02Å; M38-L121 HydrophobicContact SD-CD2 4.33Å; M38-A330 HydrophobicContact CE-CB 3.9Å; M38-A330 HydrophobicContact SD-CB 4.24Å; M38-F333 HydrophobicContact CG-CD1 3.72Å; M38-F333 HydrophobicContact CG-CE1 3.89Å; M38-F333 HydrophobicContact SD-CB 4.41Å; M38-F333 HydrophobicContact SD-CD1 3.68Å; M38-F333 HydrophobicContact SD-CE1 4.44Å; M38-F333 HydrophobicContact SD-CG 4.4Å
39	N	88.2	Confident	70.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.3	164.9	-81.5	-77	0	0	0	110	N82 N84 L110 E115 V116 V119 M120 L121	N39-N82 WeakPolarHBondContact CA-O 3.37Å; N39-N82 WeakPolarHBondContact OD1-CB 3.35Å; N39-N84 PolarHBondContact OD1-ND2 3.31Å; N39-L110 HydrophobicContact CB-CD1 4.02Å; N39-L110 WeakPolarHBondContact OD1-CD2 3.45Å; N39-E115 PolarHBondContact ND2-O 3.49Å; N39-V116 PolarHBondContact ND2-O 3.44Å; N39-V119 PolarHBondContact N-O 2.98Å; N39-M120 HydrophobicContact CB-CE 4.38Å; N39-M120 CarbonylContact O-C 3.09Å; N39-M120 WeakPolarHBondContact O-CA 3.32Å; N39-L121 PolarHBondContact O-N 3.4Å
40	V	88.1	Confident	70.5	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.7	176.5	-176.8	0	0	0	0	108.3	V42 V55 V59 A81 N82 Y83 N84 L121	V40-V42 HydrophobicContact CG1-CG1 4.03Å; V40-V55 HydrophobicContact CG1-CG1 4.29Å; V40-V59 HydrophobicContact CG2-CG1 4.15Å; V40-A81 HydrophobicContact CG2-CB 4.06Å; V40-N82 PolarHBondContact N-O 3.35Å; V40-Y83 HydrophobicContact CB-CD1 3.64Å; V40-Y83 HydrophobicContact CB-CE1 3.81Å; V40-Y83 HydrophobicContact CG1-CD1 3.89Å; V40-Y83 HydrophobicContact CG1-CE1 3.98Å; V40-Y83 HydrophobicContact CG2-CD1 4.08Å; V40-Y83 HydrophobicContact CG2-CE1 3.74Å; V40-N84 PolarHBondContact O-N 3.09Å; V40-L121 WeakPolarHBondContact CA-O 3.31Å; V40-L121 HydrophobicContact CG2-CB 4.19Å; V40-L121 HydrophobicContact CG2-CD2 4.4Å
41	V	82.2	Confident	70.8	Confident	2 Å²	2	61 Å²	61	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.8	-176.7	-177.7	0	0	0	0	110	N84 F86 I106 M120 L121	V41-N84 WeakPolarHBondContact CA-O 3.45Å; V41-F86 HydrophobicContact CG1-CE2 3.61Å; V41-F86 HydrophobicContact CG1-CZ 3.65Å; V41-I106 HydrophobicContact CG1-CD1 3.97Å; V41-I106 HydrophobicContact CG2-CG2 4.22Å; V41-M120 HydrophobicContact CG2-CE 3.69Å; V41-M120 HydrophobicContact CG2-CG 4.08Å; V41-M120 HydrophobicContact CG2-SD 3.85Å; V41-L121 PolarHBondContact N-O 3.16Å
42	V	75.9	Confident	71.3	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	172.4	-171	-75.5	0	0	0	0	112.2	V40 R52 V55 N84 G85 F86	V40-V42 HydrophobicContact CG1-CG1 4.03Å; V42-R52 HydrophobicContact CG2-CB 3.8Å; V42-R52 HydrophobicContact CG2-CG 4Å; V42-V55 HydrophobicContact CG1-CB 4.09Å; V42-V55 HydrophobicContact CG1-CG1 3.8Å; V42-V55 HydrophobicContact CG1-CG2 4.34Å; V42-N84 PolarHBondContact N-O 3Å; V42-N84 VanDerWaalsContact N-O 3.11Å; V42-G85 CarbonylContact O-C 3.56Å; V42-G85 WeakPolarHBondContact O-CA 3.42Å; V42-F86 WeakPolarHBondContact O-CD2 3.44Å; V42-F86 PolarHBondContact O-N 3.24Å
43	L	66.6	Low	72	Confident	37 Å²	37	61.1 Å²	61.1	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.1	175	-71.1	160.3	0	0	0	110.9	D45 R52 F86 T88	L43-D45 VanDerWaalsContact CB-OD2 3.31Å; L43-D45 WeakPolarHBondContact CB-OD2 3.36Å; L43-D45 PolarHBondContact O-N 3.11Å; L43-R52 PolarHBondContact O-N 3.39Å; L43-F86 HydrophobicContact CD2-CB 4.14Å; L43-F86 HydrophobicContact CD2-CD2 3.9Å; L43-F86 HydrophobicContact CD2-CG 4.42Å; L43-F86 HydrophobicContact CG-CD2 4.45Å; L43-T88 HydrophobicContact CD2-CG2 3.73Å
44	E	64.5	Low	72.6	Confident	72 Å²	72	57.1 Å²	57.1	34%	0.336	27%	0.266	S	S	.	.			trans	-101	57.6	178.2	-58.9	-162.2	138.6	0	0	110.8	R52 F86	E44-R52 WeakPolarHBondContact OE1-CD 3.32Å; E44-R52 IonicContact OE1-CZ 3.21Å; E44-R52 IonicContact OE1-NH1 2.72Å; E44-R52 PolarHBondContact OE1-NH1 3Å; E44-F86 PolarHBondContact N-O 3.36Å
45	D	57.6	Low	73.4	Confident	29 Å²	29	50 Å²	50	16%	0.155	24%	0.239	C	C	.	.			trans	-111.2	-14.3	-177.7	55.7	37.3	0	0	0	114.5	L43 N47 F48 S51	L43-D45 VanDerWaalsContact CB-OD2 3.31Å; L43-D45 WeakPolarHBondContact CB-OD2 3.36Å; L43-D45 PolarHBondContact O-N 3.11Å; D45-N47 VanDerWaalsContact O-CG 3.27Å; D45-N47 PolarHBondContact O-N 3.11Å; D45-N47 PolarHBondContact O-ND2 3.21Å; D45-N47 VanDerWaalsContact O-ND2 3.11Å; D45-N47 PolarHBondContact OD1-N 2.71Å; D45-F48 HydrophobicContact CB-CD2 4.48Å; D45-F48 WeakPolarHBondContact OD2-CD2 3.21Å; D45-S51 VanDerWaalsContact OD1-CB 3.25Å; D45-S51 WeakPolarHBondContact OD1-CB 3.46Å
46	N	60.9	Low	73.9	Confident	110 Å²	110	45.1 Å²	45.1	59%	0.588	22%	0.218	S	C	*	.	S	Bend	trans	54	-1.7	-177.6	-67.7	-14.3	0	0	0	116.9
47	N	58.2	Low	73.9	Confident	140 Å²	140	48.3 Å²	48.3	75%	0.749	24%	0.239	S	C	*	.	S	Bend	trans	-102.4	-14.4	-171.7	-66.4	-41.5	0	0	0	113	D45	D45-N47 VanDerWaalsContact O-CG 3.27Å; D45-N47 PolarHBondContact O-N 3.11Å; D45-N47 PolarHBondContact O-ND2 3.21Å; D45-N47 VanDerWaalsContact O-ND2 3.11Å; D45-N47 PolarHBondContact OD1-N 2.71Å
48	F	65.1	Low	73.9	Confident	85 Å²	85	45.7 Å²	45.7	37%	0.373	23%	0.227	S	C	.	.	S	Bend	trans	-116.1	157.6	-178.2	-62.9	-89.2	0	0	0	111.8	D45 W50 S51	D45-F48 HydrophobicContact CB-CD2 4.48Å; D45-F48 WeakPolarHBondContact OD2-CD2 3.21Å; F48-W50 VanDerWaalsContact C-N 3.25Å; F48-W50 HydrophobicContact CB-CD2 4.05Å; F48-W50 VanDerWaalsContact CB-CE2 3.46Å; F48-W50 HydrophobicContact CB-CG 4.42Å; F48-W50 HydrophobicContact CB-CH2 4.36Å; F48-W50 HydrophobicContact CB-CZ2 3.65Å; F48-W50 AromaticContact CD1-CH2 3.77Å; F48-W50 HydrophobicContact CD1-CH2 3.77Å; F48-W50 AromaticContact CD1-CZ2 3.42Å; F48-W50 HydrophobicContact CD1-CZ2 3.42Å; F48-W50 VanDerWaalsContact CD1-CZ2 3.42Å; F48-W50 HydrophobicContact CD2-CZ2 4.45Å; F48-W50 HydrophobicContact CE1-CH2 4.48Å; F48-W50 HydrophobicContact CE1-CZ2 4.17Å; F48-W50 AromaticContact CG-CE2 3.89Å; F48-W50 HydrophobicContact CG-CH2 4.32Å; F48-W50 AromaticContact CG-CZ2 3.59Å; F48-W50 HydrophobicContact CG-CZ2 3.59Å; F48-W50 PolarHBondContact O-N 2.77Å; F48-S51 WeakPolarHBondContact O-CB 3.35Å; F48-S51 PolarHBondContact O-N 3.48Å; F48-S51 PolarHBondContact O-OG 3.14Å
49	E	58.7	Low	73.9	Confident	97 Å²	97	45.7 Å²	45.7	45%	0.453	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.8	-172.2	-54	164.4	112.5	0	0	113.2	S51 N320	E49-S51 VanDerWaalsContact C-N 3.35Å; E49-N320 HydrophobicContact CB-CB 4.23Å; E49-N320 WeakPolarHBondContact CB-ND2 3.3Å; E49-N320 PolarHBondContact OE1-ND2 3.1Å; E49-N320 PolarHBondContact OE2-ND2 3.45Å
50	W	65.5	Low	74.1	Confident	43 Å²	43	50.2 Å²	50.2	16%	0.163	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.4	170.3	56.2	67.6	0	0	0	113.3	F48 V55 Y322	F48-W50 VanDerWaalsContact C-N 3.25Å; F48-W50 HydrophobicContact CB-CD2 4.05Å; F48-W50 VanDerWaalsContact CB-CE2 3.46Å; F48-W50 HydrophobicContact CB-CG 4.42Å; F48-W50 HydrophobicContact CB-CH2 4.36Å; F48-W50 HydrophobicContact CB-CZ2 3.65Å; F48-W50 AromaticContact CD1-CH2 3.77Å; F48-W50 HydrophobicContact CD1-CH2 3.77Å; F48-W50 AromaticContact CD1-CZ2 3.42Å; F48-W50 HydrophobicContact CD1-CZ2 3.42Å; F48-W50 VanDerWaalsContact CD1-CZ2 3.42Å; F48-W50 HydrophobicContact CD2-CZ2 4.45Å; F48-W50 HydrophobicContact CE1-CH2 4.48Å; F48-W50 HydrophobicContact CE1-CZ2 4.17Å; F48-W50 AromaticContact CG-CE2 3.89Å; F48-W50 HydrophobicContact CG-CH2 4.32Å; F48-W50 AromaticContact CG-CZ2 3.59Å; F48-W50 HydrophobicContact CG-CZ2 3.59Å; F48-W50 PolarHBondContact O-N 2.77Å; W50-V55 WeakPolarHBondContact O-CG2 3.39Å; W50-Y322 HydrophobicContact CE3-CD1 4.24Å; W50-Y322 HydrophobicContact CE3-CD2 4.11Å; W50-Y322 HydrophobicContact CE3-CE1 4.31Å; W50-Y322 HydrophobicContact CE3-CE2 4.19Å; W50-Y322 HydrophobicContact CE3-CG 4.13Å; W50-Y322 HydrophobicContact CZ3-CD2 4.46Å; W50-Y322 HydrophobicContact CZ3-CE2 4.14Å
51	S	70.5	Confident	74.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-71.3	155.9	178.6	70.3	0	0	0	0	111.7	D45 F48 E49 P53 F54 V55	D45-S51 VanDerWaalsContact OD1-CB 3.25Å; D45-S51 WeakPolarHBondContact OD1-CB 3.46Å; F48-S51 WeakPolarHBondContact O-CB 3.35Å; F48-S51 PolarHBondContact O-N 3.48Å; F48-S51 PolarHBondContact O-OG 3.14Å; E49-S51 VanDerWaalsContact C-N 3.35Å; S51-P53 VanDerWaalsContact C-CD 3.43Å; S51-F54 PolarHBondContact O-N 3.32Å; S51-F54 WeakPolarHBondContact OG-CD2 3.35Å; S51-F54 WeakPolarHBondContact OG-CE2 3.49Å; S51-V55 PolarHBondContact O-N 3.13Å
52	R	74	Confident	74.5	Confident	77 Å²	77	55 Å²	55	29%	0.291	27%	0.271	S	S	.	.	H	α-helix	trans	-48	-45	-167.8	-177	176.3	173.5	165.4	2.6	116.2	V42 L43 E44 F54 Q56	V42-R52 HydrophobicContact CG2-CB 3.8Å; V42-R52 HydrophobicContact CG2-CG 4Å; L43-R52 PolarHBondContact O-N 3.39Å; E44-R52 WeakPolarHBondContact OE1-CD 3.32Å; E44-R52 IonicContact OE1-CZ 3.21Å; E44-R52 IonicContact OE1-NH1 2.72Å; E44-R52 PolarHBondContact OE1-NH1 3Å; R52-F54 PolarHBondContact O-N 3.25Å; R52-Q56 WeakPolarHBondContact O-CB 3.41Å; R52-Q56 PolarHBondContact O-N 2.82Å
53	P	73.2	Confident	75.2	Confident	62 Å²	62	56 Å²	56	40%	0.403	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-41.5	-175.1	-23.9	35.3	0	0	0	113.9	S51 T57	S51-P53 VanDerWaalsContact C-CD 3.43Å; P53-T57 PolarHBondContact O-N 3.43Å; P53-T57 PolarHBondContact O-OG1 3.08Å
54	F	73.2	Confident	76.4	Confident	73 Å²	73	58.9 Å²	58.9	32%	0.32	29%	0.288	S	S	.	.	H	α-helix	trans	-72.8	-47.9	-178.6	-53.2	-73.2	0	0	0	111.1	S51 R52 T57 A58 M323	S51-F54 PolarHBondContact O-N 3.32Å; S51-F54 WeakPolarHBondContact OG-CD2 3.35Å; S51-F54 WeakPolarHBondContact OG-CE2 3.49Å; R52-F54 PolarHBondContact O-N 3.25Å; F54-T57 PolarHBondContact O-N 3.18Å; F54-A58 PolarHBondContact O-N 2.79Å; F54-M323 HydrophobicContact CB-CE 3.95Å; F54-M323 HydrophobicContact CB-CG 4.26Å; F54-M323 HydrophobicContact CB-SD 3.89Å
55	V	83.4	Confident	77.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-38.6	-179.4	177.6	0	0	0	0	112.1	V40 V42 W50 S51 T57 A58 V59 Y326	V40-V55 HydrophobicContact CG1-CG1 4.29Å; V42-V55 HydrophobicContact CG1-CB 4.09Å; V42-V55 HydrophobicContact CG1-CG1 3.8Å; V42-V55 HydrophobicContact CG1-CG2 4.34Å; W50-V55 WeakPolarHBondContact O-CG2 3.39Å; S51-V55 PolarHBondContact O-N 3.13Å; V55-T57 PolarHBondContact O-N 3.34Å; V55-A58 PolarHBondContact O-N 3.29Å; V55-V59 HydrophobicContact CG1-CG2 4.25Å; V55-V59 WeakPolarHBondContact O-CG2 3.41Å; V55-V59 PolarHBondContact O-N 2.92Å; V55-Y326 HydrophobicContact CB-CD2 4.36Å; V55-Y326 HydrophobicContact CG1-CD1 4.04Å; V55-Y326 HydrophobicContact CG1-CD2 3.59Å; V55-Y326 HydrophobicContact CG1-CE2 4.17Å; V55-Y326 HydrophobicContact CG1-CG 3.53Å; V55-Y326 HydrophobicContact CG2-CD2 3.76Å; V55-Y326 HydrophobicContact CG2-CE2 4.06Å
56	Q	86.6	Confident	79.1	Confident	53 Å²	53	58 Å²	58	25%	0.248	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-47.6	176.9	174.4	162.3	-8.4	0	0	111.2	R52 A58 V59 E60 Y83	R52-Q56 WeakPolarHBondContact O-CB 3.41Å; R52-Q56 PolarHBondContact O-N 2.82Å; Q56-A58 PolarHBondContact O-N 2.96Å; Q56-V59 PolarHBondContact O-N 2.78Å; Q56-E60 HydrophobicContact CG-CG 4.49Å; Q56-E60 WeakPolarHBondContact CG-OE1 3.5Å; Q56-E60 PolarHBondContact NE2-OE1 2.76Å; Q56-E60 WeakPolarHBondContact O-CG 3.28Å; Q56-E60 PolarHBondContact O-N 2.71Å; Q56-Y83 HydrophobicContact CB-CD1 4.15Å; Q56-Y83 HydrophobicContact CB-CE1 3.9Å; Q56-Y83 HydrophobicContact CG-CD1 4.25Å; Q56-Y83 HydrophobicContact CG-CD2 4.12Å; Q56-Y83 HydrophobicContact CG-CE1 3.91Å; Q56-Y83 HydrophobicContact CG-CE2 3.74Å; Q56-Y83 HydrophobicContact CG-CG 4.36Å; Q56-Y83 PolarHBondContact O-OH 3.07Å
57	T	84.5	Confident	80.4	Confident	73 Å²	73	58.9 Å²	58.9	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-44	178.2	-52.9	0	0	0	0	111.8	P53 F54 V55 E60 Q61	P53-T57 PolarHBondContact O-N 3.43Å; P53-T57 PolarHBondContact O-OG1 3.08Å; F54-T57 PolarHBondContact O-N 3.18Å; V55-T57 PolarHBondContact O-N 3.34Å; T57-E60 PolarHBondContact O-N 2.98Å; T57-Q61 WeakPolarHBondContact O-CG 3.3Å; T57-Q61 PolarHBondContact O-N 2.86Å; T57-Q61 VanDerWaalsContact O-N 3.08Å
58	A	85.9	Confident	81.9	Confident	2 Å²	2	56.9 Å²	56.9	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-38.3	178.7	0	0	0	0	0	113	F54 V55 Q56 A62 M323 H327	F54-A58 PolarHBondContact O-N 2.79Å; V55-A58 PolarHBondContact O-N 3.29Å; Q56-A58 PolarHBondContact O-N 2.96Å; A58-A62 PolarHBondContact O-N 3.49Å; A58-A62 VanDerWaalsContact O-N 3.1Å; A58-M323 HydrophobicContact CB-CB 4.36Å; A58-H327 HydrophobicContact CB-CB 4.24Å; A58-H327 PolarHBondContact O-CD2 2.83Å
59	V	89.8	Confident	82.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.8	-36.2	176.6	173.4	0	0	0	0	111.9	M38 V40 V55 Q56 A62 I63 A81 Y83 A330	M38-V59 HydrophobicContact CE-CG1 4.02Å; V40-V59 HydrophobicContact CG2-CG1 4.15Å; V55-V59 HydrophobicContact CG1-CG2 4.25Å; V55-V59 WeakPolarHBondContact O-CG2 3.41Å; V55-V59 PolarHBondContact O-N 2.92Å; Q56-V59 PolarHBondContact O-N 2.78Å; V59-A62 WeakPolarHBondContact O-CB 3.46Å; V59-A62 PolarHBondContact O-N 2.9Å; V59-I63 HydrophobicContact CG1-CD1 4Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 VanDerWaalsContact O-CG1 3.31Å; V59-I63 WeakPolarHBondContact O-CG1 3.32Å; V59-I63 PolarHBondContact O-N 2.68Å; V59-A81 HydrophobicContact CG1-CB 4.22Å; V59-Y83 HydrophobicContact CB-CE1 4.38Å; V59-Y83 HydrophobicContact CG1-CE1 4.46Å; V59-Y83 WeakPolarHBondContact CG1-OH 3.27Å; V59-A330 HydrophobicContact CG1-CB 4.14Å
60	E	91.1	Very high	84.3	Confident	95 Å²	95	51 Å²	51	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-39.7	174.2	-73.3	174.5	-166.1	0	0	111.8	Q56 T57 I63 E64	Q56-E60 HydrophobicContact CG-CG 4.49Å; Q56-E60 WeakPolarHBondContact CG-OE1 3.5Å; Q56-E60 PolarHBondContact NE2-OE1 2.76Å; Q56-E60 WeakPolarHBondContact O-CG 3.28Å; Q56-E60 PolarHBondContact O-N 2.71Å; T57-E60 PolarHBondContact O-N 2.98Å; E60-I63 PolarHBondContact O-N 2.7Å; E60-E64 PolarHBondContact O-N 3.34Å; E60-E64 VanDerWaalsContact O-N 3.15Å
61	Q	88.8	Confident	85.3	Confident	104 Å²	104	53.8 Å²	53.8	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-42	171.1	-71	173.9	10	0	0	112.5	T57 I63 E64 K65	T57-Q61 WeakPolarHBondContact O-CG 3.3Å; T57-Q61 PolarHBondContact O-N 2.86Å; T57-Q61 VanDerWaalsContact O-N 3.08Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; Q61-I63 PolarHBondContact O-N 2.99Å; Q61-E64 PolarHBondContact O-N 3.14Å; Q61-K65 WeakPolarHBondContact O-CB 3.46Å; Q61-K65 PolarHBondContact O-N 2.76Å
62	A	90.3	Very high	86	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-41.2	176	0	0	0	0	0	112.2	A58 V59 K65 D66 H327 A330 L331	A58-A62 PolarHBondContact O-N 3.49Å; A58-A62 VanDerWaalsContact O-N 3.1Å; V59-A62 WeakPolarHBondContact O-CB 3.46Å; V59-A62 PolarHBondContact O-N 2.9Å; A62-K65 PolarHBondContact O-N 3.02Å; A62-D66 WeakPolarHBondContact O-CB 3.44Å; A62-D66 PolarHBondContact O-N 3.1Å; A62-H327 HydrophobicContact CB-CB 4.3Å; A62-H327 WeakPolarHBondContact CB-O 3.5Å; A62-A330 HydrophobicContact CB-CB 3.66Å; A62-L331 HydrophobicContact CB-CD2 4.3Å; A62-L331 HydrophobicContact CB-CG 4.13Å; A62-L331 WeakPolarHBondContact O-CD2 3.06Å
63	I	91.9	Very high	86.4	Confident	24 Å²	24	58.9 Å²	58.9	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-45.7	178.7	-71.8	165.4	0	0	0	111.3	M38 V59 E60 Q61 D66 R67 L79 A81	M38-I63 HydrophobicContact CE-CD1 3.74Å; M38-I63 HydrophobicContact CE-CG1 3.81Å; V59-I63 HydrophobicContact CG1-CD1 4Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 VanDerWaalsContact O-CG1 3.31Å; V59-I63 WeakPolarHBondContact O-CG1 3.32Å; V59-I63 PolarHBondContact O-N 2.68Å; E60-I63 PolarHBondContact O-N 2.7Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; Q61-I63 PolarHBondContact O-N 2.99Å; I63-D66 PolarHBondContact O-N 3.33Å; I63-R67 WeakPolarHBondContact O-CB 3.22Å; I63-R67 PolarHBondContact O-N 2.66Å; I63-L79 HydrophobicContact CG1-CD2 4.1Å; I63-L79 HydrophobicContact CG1-CG 4.19Å; I63-L79 HydrophobicContact CG2-CB 4.33Å; I63-L79 WeakPolarHBondContact CG2-O 3.48Å; I63-A81 HydrophobicContact CD1-CB 3.84Å
64	E	90.2	Very high	86.8	Confident	97 Å²	97	62.5 Å²	62.5	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-72.2	-33.3	179.2	-165.3	66.1	-169	0	0	111.8	E60 Q61 D66 R67 Q68	E60-E64 PolarHBondContact O-N 3.34Å; E60-E64 VanDerWaalsContact O-N 3.15Å; Q61-E64 PolarHBondContact O-N 3.14Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-D66 PolarHBondContact O-N 3.03Å; E64-R67 WeakPolarHBondContact O-CB 3.39Å; E64-R67 PolarHBondContact O-N 2.92Å; E64-R67 WeakPolarHBondContact OE1-CD 3.21Å; E64-R67 IonicContact OE1-CZ 3.22Å; E64-R67 IonicContact OE1-NH1 3.61Å; E64-R67 PolarHBondContact OE1-NH1 2.82Å; E64-R67 VanDerWaalsContact OE1-NH1 3.09Å; E64-R67 WeakPolarHBondContact OE2-CD 3.39Å; E64-R67 IonicContact OE2-CZ 3.42Å; E64-R67 IonicContact OE2-NE 3.68Å; E64-R67 IonicContact OE2-NH1 2.86Å; E64-R67 PolarHBondContact OE2-NH1 3.08Å; E64-Q68 PolarHBondContact O-N 3.48Å
65	K	88.9	Confident	87.2	Confident	83 Å²	83	60.1 Å²	60.1	36%	0.361	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-37.1	170.7	-176.1	177.9	175.3	-167.2	0	112	Q61 A62 K69 L331 G365	Q61-K65 WeakPolarHBondContact O-CB 3.46Å; Q61-K65 PolarHBondContact O-N 2.76Å; A62-K65 PolarHBondContact O-N 3.02Å; K65-K69 PolarHBondContact O-N 2.97Å; K65-L331 HydrophobicContact CB-CD2 4.23Å; K65-L331 HydrophobicContact CD-CD1 4.1Å; K65-L331 HydrophobicContact CD-CD2 4.22Å; K65-L331 HydrophobicContact CG-CD2 4.18Å; K65-G365 PolarHBondContact NZ-O 3.49Å
66	D	90	Very high	86.9	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-40.4	172.4	-166.6	73.9	0	0	0	112.1	A62 I63 E64 Q68 K69 N70 L331 G334 R338	A62-D66 WeakPolarHBondContact O-CB 3.44Å; A62-D66 PolarHBondContact O-N 3.1Å; I63-D66 PolarHBondContact O-N 3.33Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-D66 PolarHBondContact O-N 3.03Å; D66-Q68 VanDerWaalsContact C-N 3.35Å; D66-Q68 PolarHBondContact O-N 3.41Å; D66-K69 CarbonylContact O-C 3.57Å; D66-K69 WeakPolarHBondContact O-CA 3.2Å; D66-K69 WeakPolarHBondContact O-CB 3.37Å; D66-K69 PolarHBondContact O-N 3.41Å; D66-K69 VanDerWaalsContact O-N 3.14Å; D66-N70 PolarHBondContact O-N 3.42Å; D66-N70 PolarHBondContact O-ND2 3.35Å; D66-N70 PolarHBondContact OD2-ND2 2.91Å; D66-L331 HydrophobicContact CB-CD2 4.3Å; D66-G334 WeakPolarHBondContact OD1-CA 3.47Å; D66-R338 IonicContact OD1-CZ 2.84Å; D66-R338 VanDerWaalsContact OD1-CZ 3.23Å; D66-R338 IonicContact OD1-NH1 2.69Å; D66-R338 PolarHBondContact OD1-NH1 3.4Å; D66-R338 IonicContact OD1-NH2 2.68Å; D66-R338 PolarHBondContact OD1-NH2 3Å; D66-R338 IonicContact OD2-NH1 2.71Å; D66-R338 PolarHBondContact OD2-NH1 2.96Å
67	R	89	Confident	86.6	Confident	128 Å²	128	63 Å²	63	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-43.3	175.8	-171.5	-168	-175.9	-178.4	-2	112.3	I63 E64 N70 I71	I63-R67 WeakPolarHBondContact O-CB 3.22Å; I63-R67 PolarHBondContact O-N 2.66Å; E64-R67 WeakPolarHBondContact O-CB 3.39Å; E64-R67 PolarHBondContact O-N 2.92Å; E64-R67 WeakPolarHBondContact OE1-CD 3.21Å; E64-R67 IonicContact OE1-CZ 3.22Å; E64-R67 IonicContact OE1-NH1 3.61Å; E64-R67 PolarHBondContact OE1-NH1 2.82Å; E64-R67 VanDerWaalsContact OE1-NH1 3.09Å; E64-R67 WeakPolarHBondContact OE2-CD 3.39Å; E64-R67 IonicContact OE2-CZ 3.42Å; E64-R67 IonicContact OE2-NE 3.68Å; E64-R67 IonicContact OE2-NH1 2.86Å; E64-R67 PolarHBondContact OE2-NH1 3.08Å; R67-N70 WeakPolarHBondContact O-CB 3.42Å; R67-N70 PolarHBondContact O-N 2.91Å; R67-N70 VanDerWaalsContact O-N 3.15Å; R67-I71 HydrophobicContact CG-CD1 4.34Å; R67-I71 WeakPolarHBondContact O-CG1 3.42Å; R67-I71 PolarHBondContact O-N 3.03Å
68	Q	88.7	Confident	86.5	Confident	97 Å²	97	62.5 Å²	62.5	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-46.8	174	-172.8	59.8	53.5	0	0	110.8	E64 D66 N70 I71 D72	E64-Q68 PolarHBondContact O-N 3.48Å; D66-Q68 VanDerWaalsContact C-N 3.35Å; D66-Q68 PolarHBondContact O-N 3.41Å; Q68-N70 PolarHBondContact O-N 3.15Å; Q68-I71 WeakPolarHBondContact O-CB 3.33Å; Q68-I71 PolarHBondContact O-N 3.45Å; Q68-I71 VanDerWaalsContact O-N 3.07Å; Q68-D72 PolarHBondContact NE2-OD1 3.44Å; Q68-D72 PolarHBondContact O-N 2.95Å
69	K	87.8	Confident	86.6	Confident	57 Å²	57	63 Å²	63	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-57.1	-34.3	173.9	-69.9	179.9	176.8	-175.3	0	113	K65 D66 N73	K65-K69 PolarHBondContact O-N 2.97Å; D66-K69 CarbonylContact O-C 3.57Å; D66-K69 WeakPolarHBondContact O-CA 3.2Å; D66-K69 WeakPolarHBondContact O-CB 3.37Å; D66-K69 PolarHBondContact O-N 3.41Å; D66-K69 VanDerWaalsContact O-N 3.14Å; K69-N73 PolarHBondContact O-N 3.32Å; K69-N73 PolarHBondContact O-ND2 3.14Å
70	N	87.4	Confident	86.5	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.011	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-42.6	175	-69.9	-48.8	0	0	0	112.1	D66 R67 Q68 N73 D74 L75 L77 R338	D66-N70 PolarHBondContact O-N 3.42Å; D66-N70 PolarHBondContact O-ND2 3.35Å; D66-N70 PolarHBondContact OD2-ND2 2.91Å; R67-N70 WeakPolarHBondContact O-CB 3.42Å; R67-N70 PolarHBondContact O-N 2.91Å; R67-N70 VanDerWaalsContact O-N 3.15Å; Q68-N70 PolarHBondContact O-N 3.15Å; N70-N73 PolarHBondContact O-N 3.12Å; N70-D74 PolarHBondContact O-N 3.41Å; N70-L75 HydrophobicContact CB-CB 4.2Å; N70-L75 WeakPolarHBondContact CB-O 3.14Å; N70-L75 PolarHBondContact O-N 3.16Å; N70-L77 HydrophobicContact CB-CB 4.46Å; N70-R338 VanDerWaalsContact CG-NH1 3.31Å; N70-R338 PolarHBondContact ND2-NH1 3.45Å; N70-R338 PolarHBondContact OD1-NH1 3.33Å
71	I	86.8	Confident	86.5	Confident	101 Å²	101	62.3 Å²	62.3	52%	0.518	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-46.5	174.5	-66.7	164.6	0	0	0	110.4	R67 Q68 N73 D74	R67-I71 HydrophobicContact CG-CD1 4.34Å; R67-I71 WeakPolarHBondContact O-CG1 3.42Å; R67-I71 PolarHBondContact O-N 3.03Å; Q68-I71 WeakPolarHBondContact O-CB 3.33Å; Q68-I71 PolarHBondContact O-N 3.45Å; Q68-I71 VanDerWaalsContact O-N 3.07Å; I71-N73 PolarHBondContact O-N 3.33Å; I71-N73 VanDerWaalsContact O-N 3.08Å; I71-D74 PolarHBondContact O-N 3.29Å; I71-D74 VanDerWaalsContact O-N 3.16Å
72	D	85.8	Confident	86.4	Confident	107 Å²	107	59.1 Å²	59.1	57%	0.572	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.1	179.2	-58.8	-24.4	0	0	0	113.3	Q68	Q68-D72 PolarHBondContact NE2-OD1 3.44Å; Q68-D72 PolarHBondContact O-N 2.95Å
73	N	82.3	Confident	86.2	Confident	78 Å²	78	60.7 Å²	60.7	42%	0.417	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	10.2	-178.6	-77.7	-93.8	0	0	0	114	K69 N70 I71 L75	K69-N73 PolarHBondContact O-N 3.32Å; K69-N73 PolarHBondContact O-ND2 3.14Å; N70-N73 PolarHBondContact O-N 3.12Å; I71-N73 PolarHBondContact O-N 3.33Å; I71-N73 VanDerWaalsContact O-N 3.08Å; N73-L75 HydrophobicContact CB-CD1 4.1Å; N73-L75 HydrophobicContact CB-CG 4.32Å
74	D	81.5	Confident	85.6	Confident	138 Å²	138	60.7 Å²	60.7	74%	0.738	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	54.4	-174.6	-169.1	41.7	0	0	0	112.5	N70 I71 K345	N70-D74 PolarHBondContact O-N 3.41Å; I71-D74 PolarHBondContact O-N 3.29Å; I71-D74 VanDerWaalsContact O-N 3.16Å; D74-K345 PolarHBondContact O-NZ 3.48Å
75	L	80.7	Confident	84.4	Confident	23 Å²	23	57.1 Å²	57.1	12%	0.12	30%	0.295	C	S	.	.			trans	-124.9	109.6	177.5	-66.7	173.3	0	0	0	111.1	N70 N73 L77 R338 M342	N70-L75 HydrophobicContact CB-CB 4.2Å; N70-L75 WeakPolarHBondContact CB-O 3.14Å; N70-L75 PolarHBondContact O-N 3.16Å; N73-L75 HydrophobicContact CB-CD1 4.1Å; N73-L75 HydrophobicContact CB-CG 4.32Å; L75-L77 VanDerWaalsContact C-N 3.25Å; L75-L77 PolarHBondContact O-N 3.03Å; L75-R338 HydrophobicContact CD1-CB 4.37Å; L75-R338 HydrophobicContact CD1-CG 3.6Å; L75-M342 HydrophobicContact CD1-CG 4.19Å; L75-M342 HydrophobicContact CD1-SD 4.17Å; L75-M342 HydrophobicContact CD2-SD 4.09Å; L75-M342 HydrophobicContact CG-SD 4.45Å
76	D	77.4	Confident	83.3	Confident	105 Å²	105	53.8 Å²	53.8	56%	0.561	28%	0.281	S	S	*	.			trans	-72.8	80	165	172.1	44.9	0	0	0	109.6	R34	R34-D76 WeakPolarHBondContact CD-O 3.44Å; R34-D76 WeakPolarHBondContact CD-OD2 3.42Å; R34-D76 IonicContact CZ-OD2 2.7Å; R34-D76 IonicContact NE-OD2 2.85Å; R34-D76 IonicContact NH1-OD2 2.67Å; R34-D76 PolarHBondContact NH1-OD2 3.49Å
77	L	79.9	Confident	81.6	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.047	31%	0.308	C	S	.	.			trans	-124.7	127.3	176	-173.2	149.1	0	0	0	109.4	Y36 N70 L75 L79 L337 L341	Y36-L77 HydrophobicContact CD2-CD1 3.89Å; Y36-L77 HydrophobicContact CD2-CD2 4.06Å; Y36-L77 HydrophobicContact CD2-CG 3.74Å; Y36-L77 HydrophobicContact CE2-CD1 3.61Å; Y36-L77 HydrophobicContact CE2-CG 3.73Å; N70-L77 HydrophobicContact CB-CB 4.46Å; L75-L77 VanDerWaalsContact C-N 3.25Å; L75-L77 PolarHBondContact O-N 3.03Å; L77-L79 HydrophobicContact CD2-CB 4.32Å; L77-L337 HydrophobicContact CD1-CB 4.21Å; L77-L341 HydrophobicContact CD1-CD1 3.64Å
78	V	82.1	Confident	79.9	Confident	61 Å²	61	54.2 Å²	54.2	37%	0.37	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.9	177.6	-178.6	0	0	0	0	109.3	R34 K35 Y36 T80	R34-V78 PolarHBondContact O-N 3.26Å; R34-V78 VanDerWaalsContact O-N 3.12Å; K35-V78 CarbonylContact C-O 3.59Å; K35-V78 WeakPolarHBondContact CA-O 3.47Å; K35-V78 HydrophobicContact CG-CB 4.23Å; Y36-V78 PolarHBondContact N-O 3Å; V78-T80 HydrophobicContact CG1-CG2 4.25Å
79	L	87.9	Confident	77.8	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.6	173.9	-172.3	60.9	0	0	0	110.1	M38 I63 L77 F333	M38-L79 HydrophobicContact CE-CD1 4.35Å; M38-L79 HydrophobicContact CE-CD2 3.99Å; M38-L79 HydrophobicContact CE-CG 4.06Å; M38-L79 HydrophobicContact CG-CD1 3.8Å; M38-L79 HydrophobicContact SD-CD1 4.05Å; M38-L79 HydrophobicContact SD-CD2 4.11Å; M38-L79 HydrophobicContact SD-CG 4.32Å; I63-L79 HydrophobicContact CG1-CD2 4.1Å; I63-L79 HydrophobicContact CG1-CG 4.19Å; I63-L79 HydrophobicContact CG2-CB 4.33Å; I63-L79 WeakPolarHBondContact CG2-O 3.48Å; L77-L79 HydrophobicContact CD2-CB 4.32Å; L79-F333 HydrophobicContact CD1-CD1 3.74Å; L79-F333 HydrophobicContact CD1-CE1 3.66Å
80	T	88.8	Confident	75.4	Confident	58 Å²	58	57.9 Å²	57.9	36%	0.356	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.3	-179.5	55.6	0	0	0	0	111	Y36 K37 M38 V78	Y36-T80 PolarHBondContact O-N 3.09Å; Y36-T80 PolarHBondContact O-OG1 3.39Å; K37-T80 WeakPolarHBondContact CA-O 3.46Å; M38-T80 PolarHBondContact N-O 3Å; V78-T80 HydrophobicContact CG1-CG2 4.25Å
81	A	89.6	Confident	73.5	Confident	23 Å²	23	62.4 Å²	62.4	19%	0.19	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133	176.7	0	0	0	0	0	111.9	M38 V40 V59 I63 Y83	M38-A81 HydrophobicContact CE-CB 4.25Å; M38-A81 WeakPolarHBondContact O-CA 3.38Å; V40-A81 HydrophobicContact CG2-CB 4.06Å; V59-A81 HydrophobicContact CG1-CB 4.22Å; I63-A81 HydrophobicContact CD1-CB 3.84Å; A81-Y83 HydrophobicContact CB-CE1 4.3Å; A81-Y83 HydrophobicContact CB-CE2 3.83Å
82	N	88.3	Confident	71.3	Confident	38 Å²	38	65.5 Å²	65.5	20%	0.203	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.7	163.7	-99.2	28.1	0	0	0	108.3	K37 M38 N39 V40 E115	K37-N82 HydrophobicContact CD-CB 4.23Å; K37-N82 WeakPolarHBondContact CE-OD1 3.29Å; K37-N82 HydrophobicContact CG-CB 4.49Å; K37-N82 PolarHBondContact NZ-ND2 3.01Å; K37-N82 PolarHBondContact NZ-OD1 3.1Å; K37-N82 VanDerWaalsContact NZ-OD1 3.1Å; M38-N82 PolarHBondContact O-N 3.46Å; N39-N82 WeakPolarHBondContact CA-O 3.37Å; N39-N82 WeakPolarHBondContact OD1-CB 3.35Å; V40-N82 PolarHBondContact N-O 3.35Å; N82-E115 PolarHBondContact ND2-OE1 3.32Å
83	Y	85.9	Confident	69.2	Low	33 Å²	33	70.6 Å²	70.6	13%	0.129	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119	179.5	-62.3	-82.2	0	0	0	111.6	V40 Q56 V59 A81	V40-Y83 HydrophobicContact CB-CD1 3.64Å; V40-Y83 HydrophobicContact CB-CE1 3.81Å; V40-Y83 HydrophobicContact CG1-CD1 3.89Å; V40-Y83 HydrophobicContact CG1-CE1 3.98Å; V40-Y83 HydrophobicContact CG2-CD1 4.08Å; V40-Y83 HydrophobicContact CG2-CE1 3.74Å; Q56-Y83 HydrophobicContact CB-CD1 4.15Å; Q56-Y83 HydrophobicContact CB-CE1 3.9Å; Q56-Y83 HydrophobicContact CG-CD1 4.25Å; Q56-Y83 HydrophobicContact CG-CD2 4.12Å; Q56-Y83 HydrophobicContact CG-CE1 3.91Å; Q56-Y83 HydrophobicContact CG-CE2 3.74Å; Q56-Y83 HydrophobicContact CG-CG 4.36Å; Q56-Y83 PolarHBondContact O-OH 3.07Å; V59-Y83 HydrophobicContact CB-CE1 4.38Å; V59-Y83 HydrophobicContact CG1-CE1 4.46Å; V59-Y83 WeakPolarHBondContact CG1-OH 3.27Å; A81-Y83 HydrophobicContact CB-CE1 4.3Å; A81-Y83 HydrophobicContact CB-CE2 3.83Å
84	N	78.5	Confident	67.3	Low	23 Å²	23	71.8 Å²	71.8	12%	0.123	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	161	174.4	-68.6	-92.3	0	0	0	109.7	N39 V40 V41 V42 I106	N39-N84 PolarHBondContact OD1-ND2 3.31Å; V40-N84 PolarHBondContact O-N 3.09Å; V41-N84 WeakPolarHBondContact CA-O 3.45Å; V42-N84 PolarHBondContact N-O 3Å; V42-N84 VanDerWaalsContact N-O 3.11Å; N84-I106 HydrophobicContact CB-CG2 4.23Å
85	G	66.3	Low	65.7	Low	22 Å²	22	67.1 Å²	67.1	23%	0.227	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-179.6	175.1	0	0	0	0	0	115.4	V42	V42-G85 CarbonylContact O-C 3.56Å; V42-G85 WeakPolarHBondContact O-CA 3.42Å
86	F	65.3	Low	64.3	Low	14 Å²	14	67.7 Å²	67.7	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.1	-179.3	-43	-88.9	0	0	0	110.4	V41 V42 L43 E44 T88 E102 I106 P123	V41-F86 HydrophobicContact CG1-CE2 3.61Å; V41-F86 HydrophobicContact CG1-CZ 3.65Å; V42-F86 WeakPolarHBondContact O-CD2 3.44Å; V42-F86 PolarHBondContact O-N 3.24Å; L43-F86 HydrophobicContact CD2-CB 4.14Å; L43-F86 HydrophobicContact CD2-CD2 3.9Å; L43-F86 HydrophobicContact CD2-CG 4.42Å; L43-F86 HydrophobicContact CG-CD2 4.45Å; E44-F86 PolarHBondContact N-O 3.36Å; F86-T88 HydrophobicContact CB-CG2 4.19Å; F86-T88 PolarHBondContact O-N 2.98Å; F86-E102 HydrophobicContact CD1-CB 3.86Å; F86-E102 HydrophobicContact CE1-CB 3.81Å; F86-I106 HydrophobicContact CD1-CD1 3.8Å; F86-I106 HydrophobicContact CE1-CD1 3.42Å; F86-I106 VanDerWaalsContact CE1-CD1 3.42Å; F86-I106 HydrophobicContact CE1-CG1 4.34Å; F86-I106 HydrophobicContact CE2-CD1 4.49Å; F86-I106 HydrophobicContact CG-CD1 4.47Å; F86-I106 HydrophobicContact CZ-CD1 3.82Å; F86-P123 HydrophobicContact CE2-CB 4.34Å
87	N	54.6	Low	62.9	Low	106 Å²	106	64.3 Å²	64.3	57%	0.567	36%	0.357	S	S	*	.			trans	-85.6	100.6	173.5	-175.8	-49.5	0	0	0	109.4	T89	N87-T89 PolarHBondContact O-N 3.31Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.24Å; N87-T89 PolarHBondContact OD1-OG1 3.12Å
88	T	52.3	Low	61.4	Low	31 Å²	31	65 Å²	65	19%	0.19	36%	0.363	C	S	.	.			trans	-94.9	27.3	-167.5	45.2	0	0	0	0	114.8	L43 F86 V90 Y91	L43-T88 HydrophobicContact CD2-CG2 3.73Å; F86-T88 HydrophobicContact CB-CG2 4.19Å; F86-T88 PolarHBondContact O-N 2.98Å; T88-V90 PolarHBondContact O-N 2.83Å; T88-Y91 PolarHBondContact O-N 3.35Å
89	T	44.6	Very low	59.9	Low	123 Å²	123	64.3 Å²	64.3	76%	0.755	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.4	172.9	45	0	0	0	0	114.3	N87	N87-T89 PolarHBondContact O-N 3.31Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.24Å; N87-T89 PolarHBondContact OD1-OG1 3.12Å
90	V	38.5	Very low	58.2	Low	109 Å²	109	68 Å²	68	66%	0.661	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-21.1	179	179.1	0	0	0	0	113.3	T88	T88-V90 PolarHBondContact O-N 2.83Å
91	Y	46.3	Very low	56.7	Low	97 Å²	97	69.3 Å²	69.3	38%	0.38	39%	0.394	S	S	.	.			trans	-118	52.6	-163.5	-65.9	-67.5	0	0	0	113.2	T88 R93 G97	T88-Y91 PolarHBondContact O-N 3.35Å; Y91-R93 PolarHBondContact O-N 3.07Å; Y91-G97 WeakPolarHBondContact CD1-O 3.46Å
92	N	39.9	Very low	55.5	Low	165 Å²	165	70.1 Å²	70.1	88%	0.882	39%	0.394	S	S	*	.			trans	-76	52.2	-178.7	-155.6	10.9	0	0	0	113.2
93	R	42.2	Very low	54.4	Low	214 Å²	214	68.6 Å²	68.6	81%	0.808	39%	0.387	S	S	*	.			trans	-115.4	131.2	168.6	-72.5	-174	175.5	-173.2	-1.4	108.3	Y91	Y91-R93 PolarHBondContact O-N 3.07Å
94	Q	43.1	Very low	53.6	Low	103 Å²	103	67.8 Å²	67.8	48%	0.481	39%	0.386	S	S	.	.	S	Bend	trans	-70.1	143.2	174.6	-59.7	-174.6	-6.3	0	0	110.1	N200	Q94-N200 PolarHBondContact OE1-O 2.77Å
95	G	46.7	Very low	53.4	Low	40 Å²	40	69.3 Å²	69.3	41%	0.412	40%	0.401	S	S	.	.	S	Bend	trans	77.7	132.3	-166.2	0	0	0	0	0	111.7	G97	G95-G97 PolarHBondContact O-N 3.37Å
96	C	52	Low	53.7	Low	36 Å²	36	69.2 Å²	69.2	24%	0.243	40%	0.395	C	S	.	.			trans	-45.4	102.5	-165.7	178.4	0	0	0	0	115.2	S98 C125 E204	C96-S98 PolarHBondContact SG-OG 2.72Å; C96-S98 VanDerWaalsContact SG-OG 3.37Å; C96-C125 HydrophobicContact CB-CB 3.65Å; C96-C125 WeakPolarHBondContact CB-SG 3.31Å; C96-C125 WeakPolarHBondContact SG-CB 3.45Å; C96-C125 CovalentContact SG-SG 2.02Å; C96-C125 PolarHBondContact SG-SG 3.28Å; C96-E204 VanDerWaalsContact CB-OE2 3.3Å; C96-E204 WeakPolarHBondContact CB-OE2 3.43Å
97	G	48.3	Very low	54.2	Low	33 Å²	33	68.8 Å²	68.8	34%	0.34	39%	0.393	S	S	.	.			trans	-100.5	16.2	-179.6	0	0	0	0	0	115.3	Y91 G95	Y91-G97 WeakPolarHBondContact CD1-O 3.46Å; G95-G97 PolarHBondContact O-N 3.37Å
98	S	49.2	Very low	55.2	Low	25 Å²	25	68.2 Å²	68.2	18%	0.175	39%	0.386	C	S	.	.			trans	-57.9	141.4	178	59.9	0	0	0	0	111.3	C96	C96-S98 PolarHBondContact SG-OG 2.72Å; C96-S98 VanDerWaalsContact SG-OG 3.37Å
99	S	49.1	Very low	56.5	Low	45 Å²	45	73 Å²	73	32%	0.315	40%	0.404	S	S	.	.			trans	-66.4	147	172.2	77	0	0	0	0	110.8	C101 E102	S99-C101 PolarHBondContact O-N 3.43Å; S99-E102 WeakPolarHBondContact CA-OE1 3.15Å; S99-E102 WeakPolarHBondContact CB-OE1 3.42Å; S99-E102 PolarHBondContact N-OE1 3.1Å; S99-E102 PolarHBondContact O-N 3.43Å; S99-E102 VanDerWaalsContact O-N 3.15Å; S99-E102 WeakPolarHBondContact OG-CG 3.44Å; S99-E102 PolarHBondContact OG-OE1 3.44Å
100	T	53.7	Low	58.1	Low	90 Å²	90	67.1 Å²	67.1	55%	0.552	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.8	-174.4	48.7	0	0	0	0	114.7
101	C	57.3	Low	59.9	Low	86 Å²	86	65.4 Å²	65.4	58%	0.581	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-17.2	-178.6	-62.4	0	0	0	0	114	S99 A105	S99-C101 PolarHBondContact O-N 3.43Å; C101-A105 WeakPolarHBondContact O-CB 3.42Å; C101-A105 PolarHBondContact O-N 3.13Å
102	E	63.3	Low	61.4	Low	40 Å²	40	68.5 Å²	68.5	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-70.9	-47.1	-164.3	-81.9	160.7	-122.3	0	0	114.1	F86 S99 V104 A105 I106	F86-E102 HydrophobicContact CD1-CB 3.86Å; F86-E102 HydrophobicContact CE1-CB 3.81Å; S99-E102 WeakPolarHBondContact CA-OE1 3.15Å; S99-E102 WeakPolarHBondContact CB-OE1 3.42Å; S99-E102 PolarHBondContact N-OE1 3.1Å; S99-E102 PolarHBondContact O-N 3.43Å; S99-E102 VanDerWaalsContact O-N 3.15Å; S99-E102 WeakPolarHBondContact OG-CG 3.44Å; S99-E102 PolarHBondContact OG-OE1 3.44Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.32Å; E102-A105 WeakPolarHBondContact O-CA 2.98Å; E102-A105 WeakPolarHBondContact O-CB 3.47Å; E102-A105 PolarHBondContact O-N 3.2Å; E102-I106 PolarHBondContact O-N 3.02Å
103	G	65.5	Low	63.2	Low	6 Å²	6	63.3 Å²	63.3	6%	0.062	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-40	177.4	0	0	0	0	0	112	A105 I106 L107	G103-A105 VanDerWaalsContact C-N 3.29Å; G103-A105 PolarHBondContact O-N 2.95Å; G103-I106 PolarHBondContact O-N 3.29Å; G103-L107 PolarHBondContact O-N 3.1Å
104	V	69.5	Low	64.7	Low	16 Å²	16	60.3 Å²	60.3	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-33.7	174.6	-176.9	0	0	0	0	110.9	E102 K108 Q131 L132 L139	E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.32Å; V104-K108 WeakPolarHBondContact O-CB 3.29Å; V104-K108 WeakPolarHBondContact O-CG 3.44Å; V104-K108 PolarHBondContact O-N 2.94Å; V104-Q131 HydrophobicContact CG2-CB 4.01Å; V104-Q131 WeakPolarHBondContact CG2-O 3.35Å; V104-L132 HydrophobicContact CG2-CD2 3.89Å; V104-L139 HydrophobicContact CG1-CD1 3.79Å; V104-L139 HydrophobicContact CG1-CG 4.38Å
105	A	73.1	Confident	66.2	Low	54 Å²	54	59 Å²	59	45%	0.446	34%	0.343	S	S	.	.	H	α-helix	trans	-69.6	-35.4	173.7	0	0	0	0	0	112.6	C101 E102 G103 K109	C101-A105 WeakPolarHBondContact O-CB 3.42Å; C101-A105 PolarHBondContact O-N 3.13Å; E102-A105 WeakPolarHBondContact O-CA 2.98Å; E102-A105 WeakPolarHBondContact O-CB 3.47Å; E102-A105 PolarHBondContact O-N 3.2Å; G103-A105 VanDerWaalsContact C-N 3.29Å; G103-A105 PolarHBondContact O-N 2.95Å; A105-K109 VanDerWaalsContact O-CB 3.29Å; A105-K109 WeakPolarHBondContact O-CB 3.31Å; A105-K109 PolarHBondContact O-N 2.84Å
106	I	73.9	Confident	67.4	Low	21 Å²	21	58.1 Å²	58.1	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-46.3	171.7	-65.6	179.2	0	0	0	110.5	V41 N84 F86 E102 G103 K108 K109 L110	V41-I106 HydrophobicContact CG1-CD1 3.97Å; V41-I106 HydrophobicContact CG2-CG2 4.22Å; N84-I106 HydrophobicContact CB-CG2 4.23Å; F86-I106 HydrophobicContact CD1-CD1 3.8Å; F86-I106 HydrophobicContact CE1-CD1 3.42Å; F86-I106 VanDerWaalsContact CE1-CD1 3.42Å; F86-I106 HydrophobicContact CE1-CG1 4.34Å; F86-I106 HydrophobicContact CE2-CD1 4.49Å; F86-I106 HydrophobicContact CG-CD1 4.47Å; F86-I106 HydrophobicContact CZ-CD1 3.82Å; E102-I106 PolarHBondContact O-N 3.02Å; G103-I106 PolarHBondContact O-N 3.29Å; I106-K108 PolarHBondContact O-N 3.44Å; I106-K109 PolarHBondContact O-N 2.96Å; I106-L110 HydrophobicContact CG2-CD1 3.96Å; I106-L110 HydrophobicContact CG2-CG 4.48Å; I106-L110 WeakPolarHBondContact O-CG 3.16Å; I106-L110 PolarHBondContact O-N 2.77Å
107	L	74.2	Confident	68.7	Low	4 Å²	4	57.8 Å²	57.8	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-49.8	173.7	-82	177.8	0	0	0	111.8	G103 K109 L110 D111 M120 L132 L141 I143	G103-L107 PolarHBondContact O-N 3.1Å; L107-K109 VanDerWaalsContact C-N 3.33Å; L107-K109 PolarHBondContact O-N 2.91Å; L107-L110 PolarHBondContact O-N 3.28Å; L107-D111 WeakPolarHBondContact O-CB 3.31Å; L107-D111 PolarHBondContact O-N 3.34Å; L107-M120 HydrophobicContact CD2-CE 3.42Å; L107-M120 VanDerWaalsContact CD2-CE 3.42Å; L107-M120 HydrophobicContact CD2-SD 4.02Å; L107-M120 HydrophobicContact CG-CE 4.06Å; L107-M120 HydrophobicContact CG-SD 4.39Å; L107-L132 HydrophobicContact CD1-CB 4.09Å; L107-L132 HydrophobicContact CD1-CD1 4.47Å; L107-L132 HydrophobicContact CD1-CD2 3.71Å; L107-L132 HydrophobicContact CD1-CG 4.27Å; L107-L132 HydrophobicContact CG-CD2 4.39Å; L107-L141 HydrophobicContact CB-CD1 4.02Å; L107-I143 HydrophobicContact CD2-CD1 3.86Å; L107-I143 HydrophobicContact CD2-CG1 4.4Å
108	K	75.9	Confident	70.2	Confident	95 Å²	95	57.3 Å²	57.3	41%	0.413	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-41	176	-74.8	179.8	-176.4	-174.5	0	112.7	V104 I106 D111 H112 L139	V104-K108 WeakPolarHBondContact O-CB 3.29Å; V104-K108 WeakPolarHBondContact O-CG 3.44Å; V104-K108 PolarHBondContact O-N 2.94Å; I106-K108 PolarHBondContact O-N 3.44Å; K108-D111 PolarHBondContact O-N 3.42Å; K108-H112 WeakPolarHBondContact O-CB 3.48Å; K108-H112 PolarHBondContact O-N 3.27Å; K108-H112 PolarHBondContact O-ND1 3.42Å; K108-L139 HydrophobicContact CD-CD1 4.3Å; K108-L139 VanDerWaalsContact CE-CD1 3.48Å; K108-L139 HydrophobicContact CG-CD1 3.8Å
109	K	80.8	Confident	72.1	Confident	130 Å²	130	56.1 Å²	56.1	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-61.4	-46.6	177.5	-178.5	-165.2	171.6	-160.1	0	111	A105 I106 L107 D111 H112 S113	A105-K109 VanDerWaalsContact O-CB 3.29Å; A105-K109 WeakPolarHBondContact O-CB 3.31Å; A105-K109 PolarHBondContact O-N 2.84Å; I106-K109 PolarHBondContact O-N 2.96Å; L107-K109 VanDerWaalsContact C-N 3.33Å; L107-K109 PolarHBondContact O-N 2.91Å; K109-D111 VanDerWaalsContact C-N 3.33Å; K109-H112 PolarHBondContact O-N 3.17Å; K109-S113 PolarHBondContact O-N 3.48Å; K109-S113 PolarHBondContact O-OG 2.97Å
110	L	77.1	Confident	73.9	Confident	1 Å²	1	54 Å²	54	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-33	178.1	-68.7	169	0	0	0	112.4	N39 I106 L107 N114 E115 V116 M120	N39-L110 HydrophobicContact CB-CD1 4.02Å; N39-L110 WeakPolarHBondContact OD1-CD2 3.45Å; I106-L110 HydrophobicContact CG2-CD1 3.96Å; I106-L110 HydrophobicContact CG2-CG 4.48Å; I106-L110 WeakPolarHBondContact O-CG 3.16Å; I106-L110 PolarHBondContact O-N 2.77Å; L107-L110 PolarHBondContact O-N 3.28Å; L110-N114 PolarHBondContact O-N 2.76Å; L110-N114 VanDerWaalsContact O-N 3.08Å; L110-E115 HydrophobicContact CD2-CB 3.94Å; L110-E115 PolarHBondContact O-N 2.88Å; L110-V116 HydrophobicContact CB-CG2 4.4Å; L110-V116 WeakPolarHBondContact O-CG2 3.31Å; L110-V116 PolarHBondContact O-N 3.39Å; L110-M120 HydrophobicContact CD1-CE 4.01Å
111	D	75.9	Confident	75.6	Confident	73 Å²	73	49.8 Å²	49.8	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-47.6	172.6	-177.1	60.7	0	0	0	111.1	L107 K108 K109 S113 N114 V116 L141	L107-D111 WeakPolarHBondContact O-CB 3.31Å; L107-D111 PolarHBondContact O-N 3.34Å; K108-D111 PolarHBondContact O-N 3.42Å; K109-D111 VanDerWaalsContact C-N 3.33Å; D111-S113 VanDerWaalsContact C-N 3.32Å; D111-S113 PolarHBondContact O-N 3.09Å; D111-N114 PolarHBondContact O-N 3.34Å; D111-V116 HydrophobicContact CB-CG2 3.98Å; D111-L141 HydrophobicContact CB-CD1 4.27Å; D111-L141 HydrophobicContact CB-CD2 4.27Å
112	H	78.6	Confident	76.5	Confident	162 Å²	162	45.7 Å²	45.7	75%	0.75	25%	0.247	S	C	*	.	H	α-helix	trans	-68.6	-25.4	177.2	-70.8	45.5	0	0	0	113.6	K108 K109	K108-H112 WeakPolarHBondContact O-CB 3.48Å; K108-H112 PolarHBondContact O-N 3.27Å; K108-H112 PolarHBondContact O-ND1 3.42Å; K109-H112 PolarHBondContact O-N 3.17Å
113	S	78.3	Confident	77.2	Confident	55 Å²	55	44 Å²	44	39%	0.385	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.6	170.8	70.7	0	0	0	0	114.2	K109 D111 E115	K109-S113 PolarHBondContact O-N 3.48Å; K109-S113 PolarHBondContact O-OG 2.97Å; D111-S113 VanDerWaalsContact C-N 3.32Å; D111-S113 PolarHBondContact O-N 3.09Å; S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 3.19Å; S113-E115 WeakPolarHBondContact OG-CB 3.37Å; S113-E115 WeakPolarHBondContact OG-CG 3.48Å; S113-E115 PolarHBondContact OG-OE2 3.04Å
114	N	72.5	Confident	77.7	Confident	152 Å²	152	44.4 Å²	44.4	81%	0.813	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	39.4	-173.7	-162.6	20.8	0	0	0	113.3	L110 D111	L110-N114 PolarHBondContact O-N 2.76Å; L110-N114 VanDerWaalsContact O-N 3.08Å; D111-N114 PolarHBondContact O-N 3.34Å
115	E	75	Confident	78.2	Confident	74 Å²	74	44 Å²	44	35%	0.346	24%	0.239	S	C	.	.			trans	-115.8	7	-178.5	-68.9	-168.3	90.9	0	0	114.4	K37 N39 N82 L110 S113 G117	K37-E115 IonicContact NZ-OE1 2.65Å; K37-E115 PolarHBondContact NZ-OE1 3.46Å; N39-E115 PolarHBondContact ND2-O 3.49Å; N82-E115 PolarHBondContact ND2-OE1 3.32Å; L110-E115 HydrophobicContact CD2-CB 3.94Å; L110-E115 PolarHBondContact O-N 2.88Å; S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 3.19Å; S113-E115 WeakPolarHBondContact OG-CB 3.37Å; S113-E115 WeakPolarHBondContact OG-CG 3.48Å; S113-E115 PolarHBondContact OG-OE2 3.04Å; E115-G117 PolarHBondContact O-N 3.49Å
116	V	71.7	Confident	78.6	Confident	22 Å²	22	41.4 Å²	41.4	13%	0.133	22%	0.218	C	C	.	.			trans	-44.4	-33	-175.7	-171.3	0	0	0	0	114.3	N39 L110 D111 I143	N39-V116 PolarHBondContact ND2-O 3.44Å; L110-V116 HydrophobicContact CB-CG2 4.4Å; L110-V116 WeakPolarHBondContact O-CG2 3.31Å; L110-V116 PolarHBondContact O-N 3.39Å; D111-V116 HydrophobicContact CB-CG2 3.98Å; V116-I143 HydrophobicContact CG1-CD1 3.9Å; V116-I143 HydrophobicContact CG1-CG1 4.48Å; V116-I143 HydrophobicContact CG1-CG2 3.72Å
117	G	78.9	Confident	78.8	Confident	30 Å²	30	45.2 Å²	45.2	31%	0.309	23%	0.234	S	C	.	.			trans	71.5	-168.6	-179.6	0	0	0	0	0	112.2	K37 E115	K37-G117 CarbonylContact O-C 3.57Å; K37-G117 VanDerWaalsContact O-CA 3.29Å; K37-G117 WeakPolarHBondContact O-CA 3.05Å; E115-G117 PolarHBondContact O-N 3.49Å
118	C	81.9	Confident	79	Confident	22 Å²	22	45.4 Å²	45.4	15%	0.149	24%	0.236	C	C	.	.	S	Bend	trans	-99.5	-16.8	-177.6	-67.2	0	0	0	0	114.2	C29 K37 F333	C29-C118 HydrophobicContact CB-CB 3.92Å; C29-C118 WeakPolarHBondContact CB-SG 3.48Å; C29-C118 WeakPolarHBondContact SG-CB 3.34Å; C29-C118 CovalentContact SG-SG 2.03Å; C29-C118 PolarHBondContact SG-SG 2.79Å; K37-C118 PolarHBondContact O-N 2.7Å; C118-F333 HydrophobicContact CB-CE2 4.27Å; C118-F333 HydrophobicContact CB-CZ 3.64Å
119	V	87.4	Confident	79.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	147.9	179.3	67.5	0	0	0	0	109.8	M38 N39 L121 P144 I146 F333 F358	M38-V119 HydrophobicContact CB-CG1 4Å; M38-V119 HydrophobicContact CG-CG1 3.67Å; M38-V119 HydrophobicContact SD-CG1 4.28Å; N39-V119 PolarHBondContact N-O 2.98Å; V119-L121 HydrophobicContact CG1-CD1 3.81Å; V119-L121 HydrophobicContact CG2-CD1 4.19Å; V119-P144 HydrophobicContact CG2-CB 4.49Å; V119-I146 HydrophobicContact CG2-CD1 3.8Å; V119-I146 HydrophobicContact CG2-CG1 3.96Å; V119-F333 HydrophobicContact CB-CD2 3.87Å; V119-F333 HydrophobicContact CB-CE2 3.83Å; V119-F333 HydrophobicContact CB-CG 4.31Å; V119-F333 HydrophobicContact CB-CZ 4.24Å; V119-F333 HydrophobicContact CG1-CB 4.35Å; V119-F333 HydrophobicContact CG1-CD1 3.65Å; V119-F333 HydrophobicContact CG1-CD2 3.66Å; V119-F333 HydrophobicContact CG1-CE1 3.75Å; V119-F333 HydrophobicContact CG1-CE2 3.78Å; V119-F333 HydrophobicContact CG1-CG 3.6Å; V119-F333 HydrophobicContact CG1-CZ 3.82Å; V119-F333 HydrophobicContact CG2-CD2 4.29Å; V119-F358 HydrophobicContact CG2-CE2 4.49Å; V119-F358 HydrophobicContact CG2-CZ 4.23Å
120	M	87.6	Confident	79.4	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.1	168	-179.9	164.6	-76.9	0	0	110.4	N39 V41 L107 L110 G122 L132 I143 P144 I145 I146	N39-M120 HydrophobicContact CB-CE 4.38Å; N39-M120 CarbonylContact O-C 3.09Å; N39-M120 WeakPolarHBondContact O-CA 3.32Å; V41-M120 HydrophobicContact CG2-CE 3.69Å; V41-M120 HydrophobicContact CG2-CG 4.08Å; V41-M120 HydrophobicContact CG2-SD 3.85Å; L107-M120 HydrophobicContact CD2-CE 3.42Å; L107-M120 VanDerWaalsContact CD2-CE 3.42Å; L107-M120 HydrophobicContact CD2-SD 4.02Å; L107-M120 HydrophobicContact CG-CE 4.06Å; L107-M120 HydrophobicContact CG-SD 4.39Å; L110-M120 HydrophobicContact CD1-CE 4.01Å; M120-G122 WeakPolarHBondContact CG-O 3.4Å; M120-L132 HydrophobicContact SD-CD1 4.05Å; M120-I143 HydrophobicContact CB-CD1 3.8Å; M120-P144 PolarHBondContact N-O 2.79Å; M120-I145 HydrophobicContact CB-CG1 4.34Å; M120-I145 WeakPolarHBondContact O-CA 3.45Å; M120-I146 PolarHBondContact O-N 3.45Å
121	L	89.7	Confident	79.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.5	171	-88.9	65.7	0	0	0	108.6	M38 N39 V40 V41 V119 I146 Y326 A330	M38-L121 HydrophobicContact CB-CD1 4.4Å; M38-L121 HydrophobicContact SD-CD1 4.02Å; M38-L121 HydrophobicContact SD-CD2 4.33Å; N39-L121 PolarHBondContact O-N 3.4Å; V40-L121 WeakPolarHBondContact CA-O 3.31Å; V40-L121 HydrophobicContact CG2-CB 4.19Å; V40-L121 HydrophobicContact CG2-CD2 4.4Å; V41-L121 PolarHBondContact N-O 3.16Å; V119-L121 HydrophobicContact CG1-CD1 3.81Å; V119-L121 HydrophobicContact CG2-CD1 4.19Å; L121-I146 CarbonylContact C-O 3.44Å; L121-I146 WeakPolarHBondContact CA-O 3.48Å; L121-I146 HydrophobicContact CD1-CD1 4.37Å; L121-Y326 HydrophobicContact CB-CD1 4.48Å; L121-A330 HydrophobicContact CD2-CB 3.99Å
122	G	76.4	Confident	79.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.			trans	83.7	-175.1	-171.9	0	0	0	0	0	113.6	M120 I145 I146	M120-G122 WeakPolarHBondContact CG-O 3.4Å; G122-I145 WeakPolarHBondContact O-CG2 3.44Å; G122-I146 PolarHBondContact N-O 3.21Å
123	P	78.1	Confident	79.5	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.032	16%	0.157	C	C	.	.			cis	-68.4	164.5	-3.1	29.6	-33.1	0	0	0	112.1	F86 C125 A128 T129 L132 S147	F86-P123 HydrophobicContact CE2-CB 4.34Å; P123-C125 VanDerWaalsContact C-N 3.26Å; P123-A128 HydrophobicContact CB-CB 4.3Å; P123-A128 HydrophobicContact CG-CB 3.59Å; P123-T129 PolarHBondContact O-OG1 3.09Å; P123-L132 HydrophobicContact CG-CD1 4.35Å; P123-S147 PolarHBondContact O-OG 3.36Å
124	S	76.3	Confident	79.3	Confident	13 Å²	13	26.6 Å²	26.6	9%	0.091	14%	0.144	C	C	.	.			trans	-72.6	-21.6	169.5	43.5	0	0	0	0	112.5	S150 Y326	S124-S150 PolarHBondContact O-N 2.7Å; S124-Y326 PolarHBondContact N-OH 2.71Å
125	C	79.3	Confident	78.7	Confident	7 Å²	7	24.4 Å²	24.4	5%	0.047	13%	0.129	C	C	.	.			trans	-79	123.9	-175.1	164.7	0	0	0	0	113.9	C96 P123 F127 A128 T129 E204	C96-C125 HydrophobicContact CB-CB 3.65Å; C96-C125 WeakPolarHBondContact CB-SG 3.31Å; C96-C125 WeakPolarHBondContact SG-CB 3.45Å; C96-C125 CovalentContact SG-SG 2.02Å; C96-C125 PolarHBondContact SG-SG 3.28Å; P123-C125 VanDerWaalsContact C-N 3.26Å; C125-F127 PolarHBondContact O-N 2.96Å; C125-A128 HydrophobicContact CB-CB 4.16Å; C125-A128 PolarHBondContact O-N 3.12Å; C125-A128 PolarHBondContact SG-N 3.49Å; C125-A128 VanDerWaalsContact SG-N 3.44Å; C125-T129 WeakPolarHBondContact O-CB 3.48Å; C125-T129 PolarHBondContact O-N 2.98Å; C125-T129 PolarHBondContact O-OG1 2.82Å; C125-T129 VanDerWaalsContact O-OG1 3.05Å; C125-E204 WeakPolarHBondContact CA-OE2 3.48Å
126	T	82.1	Confident	77.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.3	-44.8	-179.9	-49.1	0	0	0	0	112.6	A128 F130 S150 F151 G152 E204 W208	T126-A128 PolarHBondContact O-N 3Å; T126-F130 VanDerWaalsContact O-CB 3.24Å; T126-F130 WeakPolarHBondContact O-CB 3.43Å; T126-F130 PolarHBondContact O-N 3.19Å; T126-S150 WeakPolarHBondContact OG1-CA 3.21Å; T126-F151 PolarHBondContact OG1-N 2.91Å; T126-F151 VanDerWaalsContact OG1-N 3.14Å; T126-G152 PolarHBondContact OG1-N 3.24Å; T126-E204 VanDerWaalsContact CB-OE1 3.23Å; T126-E204 WeakPolarHBondContact CB-OE1 3.46Å; T126-E204 PolarHBondContact N-OE1 2.96Å; T126-E204 PolarHBondContact OG1-OE1 2.83Å; T126-W208 HydrophobicContact CG2-CD2 4.38Å; T126-W208 HydrophobicContact CG2-CH2 4.44Å; T126-W208 HydrophobicContact CG2-CZ2 3.87Å; T126-W208 VanDerWaalsContact OG1-CD1 3.3Å; T126-W208 PolarHBondContact OG1-NE1 3.35Å
127	F	78.3	Confident	77.1	Confident	101 Å²	101	33.3 Å²	33.3	44%	0.443	17%	0.172	S	C	.	.	H	α-helix	trans	-64.2	-40.7	179.5	-76.6	-63	0	0	0	112.1	C125 Q131 F207 W208	C125-F127 PolarHBondContact O-N 2.96Å; F127-Q131 WeakPolarHBondContact O-CG 3.38Å; F127-F207 HydrophobicContact CE2-CE1 4.3Å; F127-W208 HydrophobicContact CD1-CZ2 4.4Å; F127-W208 AromaticContact CD2-CZ2 3.94Å; F127-W208 HydrophobicContact CD2-CZ2 3.94Å; F127-W208 AromaticContact CE1-CH2 3.9Å; F127-W208 HydrophobicContact CE1-CH2 3.9Å; F127-W208 HydrophobicContact CE1-CZ2 4.08Å; F127-W208 HydrophobicContact CE2-CH2 4.06Å; F127-W208 AromaticContact CE2-CZ2 3.58Å; F127-W208 HydrophobicContact CE2-CZ2 3.58Å; F127-W208 HydrophobicContact CG-CZ2 4.33Å; F127-W208 AromaticContact CZ-CH2 3.63Å; F127-W208 HydrophobicContact CZ-CH2 3.63Å; F127-W208 AromaticContact CZ-CZ2 3.66Å; F127-W208 HydrophobicContact CZ-CZ2 3.66Å
128	A	77.4	Confident	75.6	Confident	8 Å²	8	32 Å²	32	7%	0.066	16%	0.158	C	C	.	.	H	α-helix	trans	-69.8	-51.7	177.6	0	0	0	0	0	110.6	P123 C125 T126 F130 Q131 L132	P123-A128 HydrophobicContact CB-CB 4.3Å; P123-A128 HydrophobicContact CG-CB 3.59Å; C125-A128 HydrophobicContact CB-CB 4.16Å; C125-A128 PolarHBondContact O-N 3.12Å; C125-A128 PolarHBondContact SG-N 3.49Å; C125-A128 VanDerWaalsContact SG-N 3.44Å; T126-A128 PolarHBondContact O-N 3Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.07Å; A128-Q131 PolarHBondContact O-N 3.42Å; A128-Q131 VanDerWaalsContact O-N 3.13Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å
129	T	82.4	Confident	74.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-43.3	178.8	-59.1	0	0	0	0	112.4	P123 C125 Q131 L132 V133 S150 L161	P123-T129 PolarHBondContact O-OG1 3.09Å; C125-T129 WeakPolarHBondContact O-CB 3.48Å; C125-T129 PolarHBondContact O-N 2.98Å; C125-T129 PolarHBondContact O-OG1 2.82Å; C125-T129 VanDerWaalsContact O-OG1 3.05Å; T129-Q131 PolarHBondContact O-N 3.27Å; T129-L132 WeakPolarHBondContact O-CA 3.44Å; T129-L132 WeakPolarHBondContact O-CB 3.46Å; T129-L132 PolarHBondContact O-N 3.36Å; T129-V133 HydrophobicContact CG2-CG1 4.06Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 2.74Å; T129-V133 VanDerWaalsContact O-N 3.08Å; T129-S150 WeakPolarHBondContact CB-OG 3.04Å; T129-S150 WeakPolarHBondContact CG2-OG 3.17Å; T129-S150 PolarHBondContact OG1-OG 3.38Å; T129-L161 HydrophobicContact CG2-CD1 3.61Å; T129-L161 HydrophobicContact CG2-CD2 3.95Å; T129-L161 HydrophobicContact CG2-CG 4.44Å
130	F	83.3	Confident	72.5	Confident	45 Å²	45	41.1 Å²	41.1	20%	0.197	21%	0.21	C	C	.	.	H	α-helix	trans	-53.8	-42	178.3	179.1	-104.1	0	0	0	111.9	T126 A128 L132 V133 D134 I137 S154	T126-F130 VanDerWaalsContact O-CB 3.24Å; T126-F130 WeakPolarHBondContact O-CB 3.43Å; T126-F130 PolarHBondContact O-N 3.19Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.07Å; F130-L132 PolarHBondContact O-N 2.88Å; F130-V133 PolarHBondContact O-N 3.4Å; F130-D134 HydrophobicContact CE1-CB 4.34Å; F130-D134 HydrophobicContact CE2-CB 4.22Å; F130-D134 HydrophobicContact CZ-CB 4.07Å; F130-D134 WeakPolarHBondContact CZ-OD2 3.29Å; F130-D134 VanDerWaalsContact O-CB 3.23Å; F130-D134 WeakPolarHBondContact O-CB 3.16Å; F130-D134 PolarHBondContact O-N 2.85Å; F130-I137 HydrophobicContact CE1-CD1 4.12Å; F130-S154 VanDerWaalsContact CD2-O 3.25Å; F130-S154 WeakPolarHBondContact CD2-O 3.48Å; F130-S154 VanDerWaalsContact CE2-O 3.32Å; F130-S154 WeakPolarHBondContact CE2-O 3.46Å
131	Q	77.3	Confident	70.9	Confident	33 Å²	33	42.8 Å²	42.8	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-13.3	178.2	-58.1	-68.6	-46.9	0	0	113.8	V104 F127 A128 T129 I137 G138	V104-Q131 HydrophobicContact CG2-CB 4.01Å; V104-Q131 WeakPolarHBondContact CG2-O 3.35Å; F127-Q131 WeakPolarHBondContact O-CG 3.38Å; A128-Q131 PolarHBondContact O-N 3.42Å; A128-Q131 VanDerWaalsContact O-N 3.13Å; T129-Q131 PolarHBondContact O-N 3.27Å; Q131-I137 VanDerWaalsContact OE1-CG2 3.24Å; Q131-G138 WeakPolarHBondContact O-CA 3.43Å
132	L	77.6	Confident	69.5	Low	15 Å²	15	45.2 Å²	45.2	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-96.2	-25.7	175.7	-43.8	-178.5	0	0	0	112.8	V104 L107 M120 P123 A128 T129 F130 I145	V104-L132 HydrophobicContact CG2-CD2 3.89Å; L107-L132 HydrophobicContact CD1-CB 4.09Å; L107-L132 HydrophobicContact CD1-CD1 4.47Å; L107-L132 HydrophobicContact CD1-CD2 3.71Å; L107-L132 HydrophobicContact CD1-CG 4.27Å; L107-L132 HydrophobicContact CG-CD2 4.39Å; M120-L132 HydrophobicContact SD-CD1 4.05Å; P123-L132 HydrophobicContact CG-CD1 4.35Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; T129-L132 WeakPolarHBondContact O-CA 3.44Å; T129-L132 WeakPolarHBondContact O-CB 3.46Å; T129-L132 PolarHBondContact O-N 3.36Å; F130-L132 PolarHBondContact O-N 2.88Å; L132-I145 HydrophobicContact CB-CD1 3.48Å; L132-I145 VanDerWaalsContact CB-CD1 3.48Å; L132-I145 HydrophobicContact CD1-CD1 4.04Å; L132-I145 HydrophobicContact CG-CD1 4.4Å
133	V	77.3	Confident	69.5	Low	6 Å²	6	46 Å²	46	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-105.8	-3.9	-175.8	-53.7	0	0	0	0	113.6	T129 F130 I145 K158 L161	T129-V133 HydrophobicContact CG2-CG1 4.06Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 2.74Å; T129-V133 VanDerWaalsContact O-N 3.08Å; F130-V133 PolarHBondContact O-N 3.4Å; V133-I145 HydrophobicContact CG1-CB 4.5Å; V133-I145 HydrophobicContact CG1-CD1 3.89Å; V133-I145 HydrophobicContact CG1-CG1 4.49Å; V133-K158 HydrophobicContact CB-CB 4.27Å; V133-K158 HydrophobicContact CB-CG 4.46Å; V133-K158 HydrophobicContact CG2-CB 4Å; V133-K158 HydrophobicContact CG2-CD 4.11Å; V133-K158 HydrophobicContact CG2-CG 3.73Å; V133-L161 HydrophobicContact CG1-CB 4.09Å; V133-L161 HydrophobicContact CG1-CD1 4.32Å
134	D	74.5	Confident	69.7	Low	22 Å²	22	46.4 Å²	46.4	12%	0.118	24%	0.242	C	C	.	.			trans	-92.4	120	176.1	-164.3	-81.5	0	0	0	111.8	F130 E136 I137 G138 K158	F130-D134 HydrophobicContact CE1-CB 4.34Å; F130-D134 HydrophobicContact CE2-CB 4.22Å; F130-D134 HydrophobicContact CZ-CB 4.07Å; F130-D134 WeakPolarHBondContact CZ-OD2 3.29Å; F130-D134 VanDerWaalsContact O-CB 3.23Å; F130-D134 WeakPolarHBondContact O-CB 3.16Å; F130-D134 PolarHBondContact O-N 2.85Å; D134-E136 VanDerWaalsContact C-N 3.34Å; D134-E136 PolarHBondContact O-N 3.35Å; D134-E136 PolarHBondContact OD1-N 2.88Å; D134-E136 VanDerWaalsContact OD1-N 3.14Å; D134-I137 PolarHBondContact O-N 3.21Å; D134-G138 WeakPolarHBondContact O-CA 3.29Å; D134-G138 PolarHBondContact O-N 2.93Å; D134-K158 IonicContact OD2-NZ 2.73Å; D134-K158 PolarHBondContact OD2-NZ 2.97Å
135	E	60.9	Low	70.3	Confident	106 Å²	106	46 Å²	46	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.7	-169.6	-52.1	-162.3	130.3	0	0	113.7	K160	E135-K160 IonicContact OE1-NZ 3.24Å; E135-K160 PolarHBondContact OE1-NZ 2.74Å
136	E	57.3	Low	70.9	Confident	191 Å²	191	45.8 Å²	45.8	89%	0.893	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-25.4	175.1	-62.6	-170.1	174.4	0	0	112.1	D134	D134-E136 VanDerWaalsContact C-N 3.34Å; D134-E136 PolarHBondContact O-N 3.35Å; D134-E136 PolarHBondContact OD1-N 2.88Å; D134-E136 VanDerWaalsContact OD1-N 3.14Å
137	I	54.2	Low	71.3	Confident	93 Å²	93	45.8 Å²	45.8	48%	0.477	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-34.2	-172.9	-43.1	169	0	0	0	112.6	F130 Q131 D134 L139	F130-I137 HydrophobicContact CE1-CD1 4.12Å; Q131-I137 VanDerWaalsContact OE1-CG2 3.24Å; D134-I137 PolarHBondContact O-N 3.21Å; I137-L139 PolarHBondContact O-N 3.21Å
138	G	49.2	Very low	71.6	Confident	2 Å²	2	41 Å²	41	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-91.3	7.1	-160.2	0	0	0	0	0	118.1	Q131 D134	Q131-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 WeakPolarHBondContact O-CA 3.29Å; D134-G138 PolarHBondContact O-N 2.93Å
139	L	53.2	Low	71.5	Confident	69 Å²	69	40.6 Å²	40.6	36%	0.361	21%	0.214	S	C	.	.			trans	76.3	165.5	-173.1	-45.5	150.5	0	0	0	114.7	V104 K108 I137 L141	V104-L139 HydrophobicContact CG1-CD1 3.79Å; V104-L139 HydrophobicContact CG1-CG 4.38Å; K108-L139 HydrophobicContact CD-CD1 4.3Å; K108-L139 VanDerWaalsContact CE-CD1 3.48Å; K108-L139 HydrophobicContact CG-CD1 3.8Å; I137-L139 PolarHBondContact O-N 3.21Å; L139-L141 HydrophobicContact CB-CG 4.4Å; L139-L141 HydrophobicContact CD1-CD1 3.85Å; L139-L141 HydrophobicContact CD1-CG 4.38Å; L139-L141 PolarHBondContact O-N 3.17Å; L139-L141 VanDerWaalsContact O-N 3.11Å
140	T	49.9	Very low	71.7	Confident	144 Å²	144	40.6 Å²	40.6	88%	0.883	21%	0.214	S	C	*	.	S	Bend	trans	-72.6	11.8	170.3	54.9	0	0	0	0	114
141	L	54.1	Low	71.9	Confident	37 Å²	37	38.5 Å²	38.5	19%	0.194	21%	0.205	C	C	.	.			trans	-70.4	131.2	173	-72.3	176	0	0	0	108.6	L107 D111 L139	L107-L141 HydrophobicContact CB-CD1 4.02Å; D111-L141 HydrophobicContact CB-CD1 4.27Å; D111-L141 HydrophobicContact CB-CD2 4.27Å; L139-L141 HydrophobicContact CB-CG 4.4Å; L139-L141 HydrophobicContact CD1-CD1 3.85Å; L139-L141 HydrophobicContact CD1-CG 4.38Å; L139-L141 PolarHBondContact O-N 3.17Å; L139-L141 VanDerWaalsContact O-N 3.11Å
142	S	60.4	Low	72.4	Confident	52 Å²	52	37 Å²	37	36%	0.364	20%	0.197	S	C	.	.			trans	-110.4	-12.9	-151.9	50.2	0	0	0	0	114.3	M25 K160	M25-S142 WeakPolarHBondContact CE-OG 3.36Å; M25-S142 WeakPolarHBondContact SD-CB 3.14Å; M25-S142 PolarHBondContact SD-OG 3.3Å; S142-K160 WeakPolarHBondContact O-CE 3.4Å
143	I	75.5	Confident	72.8	Confident	16 Å²	16	38.5 Å²	38.5	8%	0.082	21%	0.205	C	C	.	.			trans	-58.1	148	-167.2	61.2	168.6	0	0	0	115	M25 L107 V116 M120	M25-I143 HydrophobicContact CE-CB 4.34Å; M25-I143 HydrophobicContact CE-CG2 3.8Å; L107-I143 HydrophobicContact CD2-CD1 3.86Å; L107-I143 HydrophobicContact CD2-CG1 4.4Å; V116-I143 HydrophobicContact CG1-CD1 3.9Å; V116-I143 HydrophobicContact CG1-CG1 4.48Å; V116-I143 HydrophobicContact CG1-CG2 3.72Å; M120-I143 HydrophobicContact CB-CD1 3.8Å
144	P	84	Confident	73.3	Confident	14 Å²	14	40.6 Å²	40.6	9%	0.091	22%	0.22	C	C	.	.			trans	-66.5	147.8	169.1	-17.9	31.9	0	0	0	112.6	V119 M120 P357 F358	V119-P144 HydrophobicContact CG2-CB 4.49Å; M120-P144 PolarHBondContact N-O 2.79Å; P144-P357 HydrophobicContact CB-CG 4.46Å; P144-P357 HydrophobicContact CG-CG 4.22Å; P144-F358 HydrophobicContact CB-CE2 3.68Å; P144-F358 HydrophobicContact CB-CZ 4.39Å
145	I	87.8	Confident	73.8	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.9	179.6	-54.3	-169.6	0	0	0	110	M120 G122 L132 V133 K160 L161 T162	M120-I145 HydrophobicContact CB-CG1 4.34Å; M120-I145 WeakPolarHBondContact O-CA 3.45Å; G122-I145 WeakPolarHBondContact O-CG2 3.44Å; L132-I145 HydrophobicContact CB-CD1 3.48Å; L132-I145 VanDerWaalsContact CB-CD1 3.48Å; L132-I145 HydrophobicContact CD1-CD1 4.04Å; L132-I145 HydrophobicContact CG-CD1 4.4Å; V133-I145 HydrophobicContact CG1-CB 4.5Å; V133-I145 HydrophobicContact CG1-CD1 3.89Å; V133-I145 HydrophobicContact CG1-CG1 4.49Å; I145-K160 PolarHBondContact N-O 2.82Å; I145-L161 HydrophobicContact CB-CD1 4.3Å; I145-L161 HydrophobicContact CG2-CD1 4.11Å; I145-L161 CarbonylContact O-C 3.55Å; I145-L161 WeakPolarHBondContact O-CA 3.47Å; I145-T162 PolarHBondContact O-N 3.15Å
146	I	91.6	Very high	75.1	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113	172.9	-55.2	169.2	0	0	0	107.9	V119 M120 L121 G122 T162 T164 G329 L332 F333 F358	V119-I146 HydrophobicContact CG2-CD1 3.8Å; V119-I146 HydrophobicContact CG2-CG1 3.96Å; M120-I146 PolarHBondContact O-N 3.45Å; L121-I146 CarbonylContact C-O 3.44Å; L121-I146 WeakPolarHBondContact CA-O 3.48Å; L121-I146 HydrophobicContact CD1-CD1 4.37Å; G122-I146 PolarHBondContact N-O 3.21Å; I146-T162 CarbonylContact C-O 3.57Å; I146-T162 WeakPolarHBondContact CA-O 3.45Å; I146-T164 HydrophobicContact CG2-CG2 3.82Å; I146-G329 WeakPolarHBondContact CD1-O 3.3Å; I146-L332 HydrophobicContact CD1-CD2 4.2Å; I146-L332 HydrophobicContact CG2-CD2 4.43Å; I146-F333 HydrophobicContact CD1-CB 4.19Å; I146-F358 HydrophobicContact CD1-CD2 4.47Å; I146-F358 HydrophobicContact CD1-CE1 4.1Å; I146-F358 HydrophobicContact CD1-CE2 4.01Å; I146-F358 HydrophobicContact CD1-CZ 3.83Å; I146-F358 HydrophobicContact CG1-CD2 4.23Å; I146-F358 HydrophobicContact CG1-CE2 3.92Å; I146-F358 HydrophobicContact CG1-CZ 4.26Å
147	S	90.4	Very high	76.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.8	-179.4	-175.7	0	0	0	0	111.3	P123 G149 S150 T162 R163 T164	P123-S147 PolarHBondContact O-OG 3.36Å; S147-G149 PolarHBondContact O-N 3.21Å; S147-G149 VanDerWaalsContact O-N 3.12Å; S147-G149 PolarHBondContact OG-N 3.12Å; S147-S150 WeakPolarHBondContact CB-OG 3.45Å; S147-S150 PolarHBondContact OG-OG 2.85Å; S147-T162 PolarHBondContact N-O 3.37Å; S147-R163 WeakPolarHBondContact O-CA 3.44Å; S147-T164 PolarHBondContact O-N 3.5Å; S147-T164 PolarHBondContact O-OG1 3.32Å
148	A	85.1	Confident	78	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.008	17%	0.167	C	C	.	.	S	Bend	trans	-80.6	35.6	166.4	0	0	0	0	0	111.8	T164 L165 Y322 Y326	A148-T164 WeakPolarHBondContact CA-OG1 3.44Å; A148-L165 WeakPolarHBondContact O-CD1 3.18Å; A148-Y322 WeakPolarHBondContact O-CD1 3.46Å; A148-Y326 HydrophobicContact CB-CD1 4.14Å; A148-Y326 HydrophobicContact CB-CD2 3.74Å; A148-Y326 HydrophobicContact CB-CE1 4.2Å; A148-Y326 HydrophobicContact CB-CE2 3.8Å; A148-Y326 HydrophobicContact CB-CG 3.91Å
149	G	76.3	Confident	79.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.			trans	179.9	-131.3	-173.9	0	0	0	0	0	111.6	S147 R163	S147-G149 PolarHBondContact O-N 3.21Å; S147-G149 VanDerWaalsContact O-N 3.12Å; S147-G149 PolarHBondContact OG-N 3.12Å; G149-R163 WeakPolarHBondContact O-CD 3.42Å; G149-R163 WeakPolarHBondContact O-CG 3.4Å
150	S	85.5	Confident	80.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.			trans	62.1	48.5	-178.4	-52	0	0	0	0	113.7	S124 T126 T129 S147 G152 R163	S124-S150 PolarHBondContact O-N 2.7Å; T126-S150 WeakPolarHBondContact OG1-CA 3.21Å; T129-S150 WeakPolarHBondContact CB-OG 3.04Å; T129-S150 WeakPolarHBondContact CG2-OG 3.17Å; T129-S150 PolarHBondContact OG1-OG 3.38Å; S147-S150 WeakPolarHBondContact CB-OG 3.45Å; S147-S150 PolarHBondContact OG-OG 2.85Å; S150-G152 PolarHBondContact O-N 3.06Å; S150-R163 WeakPolarHBondContact O-CD 3.47Å; S150-R163 PolarHBondContact O-NH1 3.25Å
151	F	88.2	Confident	82.6	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.137	C	C	.	.			trans	-67.1	-26.7	-169.8	-52.8	-73.2	0	0	0	115.1	T126 L165 P166 A168 E204 D205 W208 Y209 Y280 Y322	T126-F151 PolarHBondContact OG1-N 2.91Å; T126-F151 VanDerWaalsContact OG1-N 3.14Å; F151-L165 HydrophobicContact CE1-CB 3.93Å; F151-L165 HydrophobicContact CE1-CD1 4.49Å; F151-L165 HydrophobicContact CZ-CB 4.45Å; F151-L165 HydrophobicContact CZ-CD1 4.26Å; F151-P166 WeakPolarHBondContact CD1-O 3.46Å; F151-A168 WeakPolarHBondContact O-CB 3.18Å; F151-A168 PolarHBondContact O-N 2.94Å; F151-E204 HydrophobicContact CD2-CG 4.36Å; F151-D205 HydrophobicContact CD1-CB 4.44Å; F151-D205 HydrophobicContact CD2-CB 3.8Å; F151-D205 HydrophobicContact CE1-CB 4.27Å; F151-D205 HydrophobicContact CE2-CB 3.61Å; F151-D205 HydrophobicContact CG-CB 4.21Å; F151-D205 HydrophobicContact CZ-CB 3.85Å; F151-W208 HydrophobicContact CB-CB 3.78Å; F151-W208 HydrophobicContact CB-CG 4.25Å; F151-Y209 HydrophobicContact CB-CE1 4.32Å; F151-Y209 HydrophobicContact CD1-CE1 4.2Å; F151-Y209 AromaticContact CD1-CZ 3.98Å; F151-Y209 VanDerWaalsContact CD1-OH 3.32Å; F151-Y209 WeakPolarHBondContact CD1-OH 3.28Å; F151-Y209 WeakPolarHBondContact CE1-OH 3.47Å; F151-Y280 WeakPolarHBondContact CE1-OH 3.39Å; F151-Y322 HydrophobicContact CE2-CE1 4.1Å; F151-Y322 WeakPolarHBondContact CE2-OH 3.22Å; F151-Y322 AromaticContact CZ-CE1 3.88Å; F151-Y322 HydrophobicContact CZ-CE1 3.88Å; F151-Y322 AromaticContact CZ-CZ 3.97Å; F151-Y322 WeakPolarHBondContact CZ-OH 3.44Å
152	G	86.9	Confident	84.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-74.5	150.2	-172.2	0	0	0	0	0	115.3	T126 S150 S154 C155	T126-G152 PolarHBondContact OG1-N 3.24Å; S150-G152 PolarHBondContact O-N 3.06Å; G152-S154 PolarHBondContact O-N 2.85Å; G152-C155 PolarHBondContact O-N 3.18Å
153	L	87.2	Confident	85.9	Confident	47 Å²	47	22 Å²	22	25%	0.246	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-61.1	-19.2	-171.6	-53.8	179	0	0	0	115	C155 D156 A168 I172 A212 A215 A218	L153-C155 PolarHBondContact O-N 3.09Å; L153-D156 WeakPolarHBondContact CD2-OD2 3.49Å; L153-D156 WeakPolarHBondContact O-CB 3.36Å; L153-D156 PolarHBondContact O-N 2.87Å; L153-A168 HydrophobicContact CD2-CB 4.31Å; L153-I172 HydrophobicContact CD1-CD1 4.09Å; L153-I172 HydrophobicContact CD2-CD1 3.79Å; L153-A212 HydrophobicContact CD1-CB 4.04Å; L153-A212 HydrophobicContact CD2-CB 4.07Å; L153-A212 HydrophobicContact CG-CB 4.09Å; L153-A215 HydrophobicContact CD1-CB 4.48Å; L153-A218 HydrophobicContact CD1-CB 4.07Å
154	S	86	Confident	86.6	Confident	50 Å²	50	21.2 Å²	21.2	35%	0.35	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-65.1	-21.3	174.8	53.8	0	0	0	0	113.3	F130 G152	F130-S154 VanDerWaalsContact CD2-O 3.25Å; F130-S154 WeakPolarHBondContact CD2-O 3.48Å; F130-S154 VanDerWaalsContact CE2-O 3.32Å; F130-S154 WeakPolarHBondContact CE2-O 3.46Å; G152-S154 PolarHBondContact O-N 2.85Å
155	C	86.9	Confident	86.9	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-93.4	-3.3	178.3	-68.4	0	0	0	0	113.4	G152 L153 K158 L161	G152-C155 PolarHBondContact O-N 3.18Å; L153-C155 PolarHBondContact O-N 3.09Å; C155-K158 WeakPolarHBondContact O-CG 3.39Å; C155-L161 HydrophobicContact CB-CD2 3.68Å
156	D	88.3	Confident	87	Confident	24 Å²	24	20.4 Å²	20.4	13%	0.128	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	143.8	-178.7	-67.6	-15	0	0	0	112.1	L153 K158 R163	L153-D156 WeakPolarHBondContact CD2-OD2 3.49Å; L153-D156 WeakPolarHBondContact O-CB 3.36Å; L153-D156 PolarHBondContact O-N 2.87Å; D156-K158 PolarHBondContact O-N 3.15Å; D156-R163 IonicContact OD1-CZ 2.86Å; D156-R163 VanDerWaalsContact OD1-CZ 3.31Å; D156-R163 IonicContact OD1-NH1 3.63Å; D156-R163 PolarHBondContact OD1-NH1 2.66Å; D156-R163 IonicContact OD1-NH2 3.75Å; D156-R163 PolarHBondContact OD1-NH2 2.85Å
157	Y	86.5	Confident	87	Confident	139 Å²	139	20.3 Å²	20.3	55%	0.545	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	11	178.1	-42.5	-72.5	0	0	0	116	R169 H375	Y157-R169 WeakPolarHBondContact OH-CD 3.39Å; Y157-H375 AromaticContact CD1-CD2 3.82Å; Y157-H375 AromaticContact CD1-CE1 3.71Å; Y157-H375 AromaticContact CD1-CG 3.93Å; Y157-H375 AromaticContact CD1-ND1 3.87Å; Y157-H375 AromaticContact CD1-NE2 3.69Å; Y157-H375 AromaticContact CE1-CD2 3.96Å; Y157-H375 AromaticContact CE1-NE2 3.78Å
158	K	86.1	Confident	87.1	Confident	42 Å²	42	20.3 Å²	20.3	18%	0.183	10%	0.101	C	C	.	.			trans	-69.1	116.2	176.6	-67.7	-67	-164.1	177.4	0	110.4	V133 D134 C155 D156 K160 L161	V133-K158 HydrophobicContact CB-CB 4.27Å; V133-K158 HydrophobicContact CB-CG 4.46Å; V133-K158 HydrophobicContact CG2-CB 4Å; V133-K158 HydrophobicContact CG2-CD 4.11Å; V133-K158 HydrophobicContact CG2-CG 3.73Å; D134-K158 IonicContact OD2-NZ 2.73Å; D134-K158 PolarHBondContact OD2-NZ 2.97Å; C155-K158 WeakPolarHBondContact O-CG 3.39Å; D156-K158 PolarHBondContact O-N 3.15Å; K158-K160 VanDerWaalsContact C-N 3.27Å; K158-K160 PolarHBondContact O-N 3.3Å; K158-K160 VanDerWaalsContact O-N 3.13Å; K158-L161 HydrophobicContact CB-CB 4.04Å; K158-L161 PolarHBondContact O-N 3.34Å
159	P	77.6	Confident	87.4	Confident	60 Å²	60	21.4 Å²	21.4	39%	0.39	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.5	-164.5	27	-36.2	0	0	0	115.2	H355 N356	P159-H355 HydrophobicContact CB-CB 4.11Å; P159-N356 WeakPolarHBondContact O-CA 3.35Å; P159-N356 WeakPolarHBondContact O-CB 3.38Å
160	K	80.8	Confident	88.1	Confident	55 Å²	55	21.6 Å²	21.6	24%	0.239	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.5	177.1	-68	167.2	177.4	155.9	0	113.4	E135 S142 I145 K158	E135-K160 IonicContact OE1-NZ 3.24Å; E135-K160 PolarHBondContact OE1-NZ 2.74Å; S142-K160 WeakPolarHBondContact O-CE 3.4Å; I145-K160 PolarHBondContact N-O 2.82Å; K158-K160 VanDerWaalsContact C-N 3.27Å; K158-K160 PolarHBondContact O-N 3.3Å; K158-K160 VanDerWaalsContact O-N 3.13Å
161	L	88.7	Confident	88.4	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.1	-174.2	-175	58.2	0	0	0	111.7	T129 V133 I145 C155 K158 R163 N356	T129-L161 HydrophobicContact CG2-CD1 3.61Å; T129-L161 HydrophobicContact CG2-CD2 3.95Å; T129-L161 HydrophobicContact CG2-CG 4.44Å; V133-L161 HydrophobicContact CG1-CB 4.09Å; V133-L161 HydrophobicContact CG1-CD1 4.32Å; I145-L161 HydrophobicContact CB-CD1 4.3Å; I145-L161 HydrophobicContact CG2-CD1 4.11Å; I145-L161 CarbonylContact O-C 3.55Å; I145-L161 WeakPolarHBondContact O-CA 3.47Å; C155-L161 HydrophobicContact CB-CD2 3.68Å; K158-L161 HydrophobicContact CB-CB 4.04Å; K158-L161 PolarHBondContact O-N 3.34Å; L161-R163 HydrophobicContact CD2-CG 4.27Å; L161-R163 HydrophobicContact CG-CG 4.15Å; L161-N356 PolarHBondContact O-ND2 3.35Å
162	T	91.6	Very high	88.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.1	171.9	-54.9	0	0	0	0	108.6	I145 I146 S147 L332 N356 F358 L372 G376	I145-T162 PolarHBondContact O-N 3.15Å; I146-T162 CarbonylContact C-O 3.57Å; I146-T162 WeakPolarHBondContact CA-O 3.45Å; S147-T162 PolarHBondContact N-O 3.37Å; T162-L332 HydrophobicContact CG2-CD2 3.94Å; T162-N356 PolarHBondContact OG1-ND2 3.42Å; T162-N356 PolarHBondContact OG1-OD1 3.17Å; T162-F358 HydrophobicContact CG2-CB 3.85Å; T162-F358 HydrophobicContact CG2-CG 4.46Å; T162-F358 WeakPolarHBondContact OG1-CD2 3.21Å; T162-L372 HydrophobicContact CG2-CD1 3.8Å; T162-L372 HydrophobicContact CG2-CD2 4.44Å; T162-G376 CarbonylContact C-O 3.51Å; T162-G376 WeakPolarHBondContact CA-O 3.24Å; T162-G376 VanDerWaalsContact CG2-O 3.23Å; T162-G376 WeakPolarHBondContact CG2-O 2.9Å
163	R	92.1	Very high	88.8	Confident	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.4	-174.8	-69.2	-176.8	-72.9	-168.9	0.6	111.4	S147 G149 S150 D156 L161 G376 D377 R378	S147-R163 WeakPolarHBondContact O-CA 3.44Å; G149-R163 WeakPolarHBondContact O-CD 3.42Å; G149-R163 WeakPolarHBondContact O-CG 3.4Å; S150-R163 WeakPolarHBondContact O-CD 3.47Å; S150-R163 PolarHBondContact O-NH1 3.25Å; D156-R163 IonicContact OD1-CZ 2.86Å; D156-R163 VanDerWaalsContact OD1-CZ 3.31Å; D156-R163 IonicContact OD1-NH1 3.63Å; D156-R163 PolarHBondContact OD1-NH1 2.66Å; D156-R163 IonicContact OD1-NH2 3.75Å; D156-R163 PolarHBondContact OD1-NH2 2.85Å; L161-R163 HydrophobicContact CD2-CG 4.27Å; L161-R163 HydrophobicContact CG-CG 4.15Å; R163-G376 PolarHBondContact N-O 3.45Å; R163-D377 IonicContact CZ-OD1 3.09Å; R163-D377 IonicContact CZ-OD2 3.81Å; R163-D377 IonicContact NE-OD1 2.96Å; R163-D377 PolarHBondContact NE-OD1 3.47Å; R163-D377 IonicContact NH2-OD1 3.87Å; R163-D377 PolarHBondContact NH2-OD1 2.76Å; R163-D377 IonicContact NH2-OD2 3.77Å; R163-D377 PolarHBondContact NH2-OD2 2.85Å; R163-R378 WeakPolarHBondContact O-CB 3.07Å; R163-R378 PolarHBondContact O-N 2.87Å
164	T	90.6	Very high	89.1	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-86.8	-8.1	-177	54.6	0	0	0	0	114	I146 S147 A148 G325 R378	I146-T164 HydrophobicContact CG2-CG2 3.82Å; S147-T164 PolarHBondContact O-N 3.5Å; S147-T164 PolarHBondContact O-OG1 3.32Å; A148-T164 WeakPolarHBondContact CA-OG1 3.44Å; T164-G325 WeakPolarHBondContact OG1-CA 3.48Å; T164-G325 PolarHBondContact OG1-O 2.73Å; T164-R378 WeakPolarHBondContact O-CD 3.46Å; T164-R378 PolarHBondContact O-NH1 2.89Å
165	L	90.4	Very high	89.4	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.085	C	C	.	.	S	Bend	trans	-113.5	150.7	164.4	-66.4	-170.5	0	0	0	110.2	A148 F151 Y280 D321 Y322	A148-L165 WeakPolarHBondContact O-CD1 3.18Å; F151-L165 HydrophobicContact CE1-CB 3.93Å; F151-L165 HydrophobicContact CE1-CD1 4.49Å; F151-L165 HydrophobicContact CZ-CB 4.45Å; F151-L165 HydrophobicContact CZ-CD1 4.26Å; L165-Y280 HydrophobicContact CD1-CE1 4Å; L165-Y280 HydrophobicContact CD2-CE1 4.18Å; L165-D321 HydrophobicContact CD2-CB 4.24Å; L165-Y322 HydrophobicContact CD1-CD1 3.92Å; L165-Y322 HydrophobicContact CD1-CE1 4.09Å; L165-Y322 HydrophobicContact CD1-CG 4.19Å
166	P	89.9	Confident	89.7	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.			trans	-68.3	124.9	-172.5	24.8	-33.5	0	0	0	112.9	F151 Y209 L279 L302 V380 F382	F151-P166 WeakPolarHBondContact CD1-O 3.46Å; P166-Y209 PolarHBondContact O-OH 2.87Å; P166-L279 HydrophobicContact CG-CD1 4.36Å; P166-L302 HydrophobicContact CG-CD1 4.32Å; P166-L302 HydrophobicContact CG-CD2 4.15Å; P166-V380 HydrophobicContact CB-CG2 4.03Å; P166-V380 HydrophobicContact CG-CG2 4.14Å; P166-F382 HydrophobicContact CB-CE1 4.35Å; P166-F382 HydrophobicContact CB-CZ 3.81Å; P166-F382 HydrophobicContact CG-CE1 4.29Å; P166-F382 HydrophobicContact CG-CZ 4.22Å
167	P	92.7	Very high	89.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.			trans	-77.8	164.2	178.4	32.6	-36.9	0	0	0	112.9	R169 K170 D377	P167-R169 PolarHBondContact O-N 3.18Å; P167-K170 HydrophobicContact CG-CG 4.16Å; P167-K170 WeakPolarHBondContact O-CB 3.48Å; P167-K170 PolarHBondContact O-N 3.5Å; P167-D377 HydrophobicContact CG-CB 4.08Å
168	A	91.8	Very high	90	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-20.1	-176.7	0	0	0	0	0	114.2	F151 L153 K170 I171 I172 Y209 A212	F151-A168 WeakPolarHBondContact O-CB 3.18Å; F151-A168 PolarHBondContact O-N 2.94Å; L153-A168 HydrophobicContact CD2-CB 4.31Å; A168-K170 VanDerWaalsContact C-N 3.34Å; A168-K170 PolarHBondContact O-N 3.15Å; A168-I171 PolarHBondContact O-N 3.01Å; A168-I172 PolarHBondContact O-N 3.35Å; A168-Y209 HydrophobicContact CB-CD1 3.66Å; A168-Y209 HydrophobicContact CB-CE1 4.17Å; A168-A212 HydrophobicContact CB-CB 3.56Å
169	R	90.5	Very high	90.1	Very high	24 Å²	24	12.3 Å²	12.3	9%	0.091	6%	0.063	C	C	.	.	H	α-helix	trans	-53.2	-46.5	167.1	-174.9	171	67.6	88.2	-12.6	112.6	Y157 P167 I171 I172 D173 D373 D377	Y157-R169 WeakPolarHBondContact OH-CD 3.39Å; P167-R169 PolarHBondContact O-N 3.18Å; R169-I171 VanDerWaalsContact C-N 3.27Å; R169-I171 PolarHBondContact O-N 3.33Å; R169-I172 WeakPolarHBondContact O-CB 3.44Å; R169-I172 PolarHBondContact O-N 2.77Å; R169-D173 PolarHBondContact O-N 3.49Å; R169-D373 IonicContact CZ-OD2 2.92Å; R169-D373 IonicContact NH1-OD2 2.64Å; R169-D373 IonicContact NH2-OD1 3.33Å; R169-D373 IonicContact NH2-OD2 3.86Å; R169-D373 PolarHBondContact NH2-OD2 3.3Å; R169-D377 IonicContact CZ-OD2 3.64Å; R169-D377 IonicContact NE-OD2 3.25Å; R169-D377 PolarHBondContact NE-OD2 3.06Å; R169-D377 IonicContact NH2-OD2 2.75Å; R169-D377 PolarHBondContact NH2-OD2 3.19Å
170	K	91.4	Very high	90.5	Very high	5 Å²	5	13 Å²	13	2%	0.022	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-31.8	-180	-58.2	-73	177.4	175.7	0	111.5	P167 A168 D173 L174 D373 D379 F382	P167-K170 HydrophobicContact CG-CG 4.16Å; P167-K170 WeakPolarHBondContact O-CB 3.48Å; P167-K170 PolarHBondContact O-N 3.5Å; A168-K170 VanDerWaalsContact C-N 3.34Å; A168-K170 PolarHBondContact O-N 3.15Å; K170-D173 PolarHBondContact O-N 2.97Å; K170-L174 VanDerWaalsContact O-CB 3.3Å; K170-L174 WeakPolarHBondContact O-CB 3.16Å; K170-L174 PolarHBondContact O-N 3.27Å; K170-D373 IonicContact NZ-OD2 3.48Å; K170-D373 PolarHBondContact NZ-OD2 2.87Å; K170-D379 IonicContact NZ-OD1 3.62Å; K170-D379 PolarHBondContact NZ-OD1 2.85Å; K170-F382 HydrophobicContact CB-CE2 4.12Å; K170-F382 HydrophobicContact CB-CZ 4.02Å
171	I	92.6	Very high	90.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-71.2	-39	173.8	-60.5	-54.1	0	0	0	112	A168 R169 L174 F175 Y209 L277 L279 F382	A168-I171 PolarHBondContact O-N 3.01Å; R169-I171 VanDerWaalsContact C-N 3.27Å; R169-I171 PolarHBondContact O-N 3.33Å; I171-L174 PolarHBondContact O-N 2.97Å; I171-F175 HydrophobicContact CG2-CD2 3.74Å; I171-F175 HydrophobicContact CG2-CE2 3.69Å; I171-F175 VanDerWaalsContact O-CD2 3.29Å; I171-F175 WeakPolarHBondContact O-CD2 3.31Å; I171-F175 PolarHBondContact O-N 3.37Å; I171-Y209 HydrophobicContact CB-CD1 4.36Å; I171-Y209 HydrophobicContact CG1-CD1 3.75Å; I171-Y209 HydrophobicContact CG1-CE1 3.9Å; I171-Y209 HydrophobicContact CG1-CG 4.31Å; I171-L277 HydrophobicContact CD1-CD2 4.43Å; I171-L277 HydrophobicContact CG2-CD1 4.45Å; I171-L277 HydrophobicContact CG2-CD2 4.07Å; I171-L279 HydrophobicContact CD1-CD1 4.2Å; I171-L279 HydrophobicContact CD1-CD2 4.38Å; I171-F382 HydrophobicContact CD1-CD1 4.05Å; I171-F382 HydrophobicContact CD1-CE1 3.44Å; I171-F382 VanDerWaalsContact CD1-CE1 3.44Å; I171-F382 HydrophobicContact CD1-CZ 3.87Å
172	I	92.3	Very high	90.4	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-48.7	170.4	-72.9	161.7	0	0	0	110.6	L153 A168 R169 L174 F175 L176 A212 A218 R219 F220	L153-I172 HydrophobicContact CD1-CD1 4.09Å; L153-I172 HydrophobicContact CD2-CD1 3.79Å; A168-I172 PolarHBondContact O-N 3.35Å; R169-I172 WeakPolarHBondContact O-CB 3.44Å; R169-I172 PolarHBondContact O-N 2.77Å; I172-L174 PolarHBondContact O-N 3.36Å; I172-F175 PolarHBondContact O-N 2.76Å; I172-L176 HydrophobicContact CG2-CD1 3.56Å; I172-L176 HydrophobicContact CG2-CG 4.27Å; I172-L176 WeakPolarHBondContact O-CB 3.34Å; I172-L176 VanDerWaalsContact O-CG 3.27Å; I172-L176 WeakPolarHBondContact O-CG 3.38Å; I172-L176 PolarHBondContact O-N 2.72Å; I172-A212 HydrophobicContact CD1-CB 3.9Å; I172-A212 HydrophobicContact CG1-CB 4.25Å; I172-A218 HydrophobicContact CD1-CB 3.78Å; I172-R219 HydrophobicContact CG2-CB 4.03Å; I172-F220 HydrophobicContact CG1-CB 4.36Å; I172-F220 HydrophobicContact CG2-CB 4.14Å
173	D	91.2	Very high	90.1	Very high	17 Å²	17	21.7 Å²	21.7	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-39.4	-178.4	-70.8	-40.5	0	0	0	111.4	R169 K170 L176 N177 R219	R169-D173 PolarHBondContact O-N 3.49Å; K170-D173 PolarHBondContact O-N 2.97Å; D173-L176 PolarHBondContact O-N 3.12Å; D173-N177 PolarHBondContact O-N 2.98Å; D173-N177 VanDerWaalsContact O-N 3.14Å; D173-N177 PolarHBondContact O-ND2 3.36Å; D173-R219 IonicContact OD1-CZ 2.7Å; D173-R219 IonicContact OD1-NH1 3.97Å; D173-R219 PolarHBondContact OD1-NH1 3.47Å
174	L	93.1	Very high	89.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.5	-54.8	170.5	173.3	156.1	0	0	0	112.3	K170 I171 I172 L176 N177 F178 V300 F382 F384 F400	K170-L174 VanDerWaalsContact O-CB 3.3Å; K170-L174 WeakPolarHBondContact O-CB 3.16Å; K170-L174 PolarHBondContact O-N 3.27Å; I171-L174 PolarHBondContact O-N 2.97Å; I172-L174 PolarHBondContact O-N 3.36Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 2.97Å; L174-N177 PolarHBondContact O-N 3.06Å; L174-F178 VanDerWaalsContact O-CB 3.23Å; L174-F178 WeakPolarHBondContact O-CB 3.39Å; L174-F178 PolarHBondContact O-N 3.41Å; L174-V300 HydrophobicContact CD1-CG1 3.91Å; L174-F382 HydrophobicContact CD1-CB 3.42Å; L174-F382 VanDerWaalsContact CD1-CB 3.42Å; L174-F382 HydrophobicContact CD1-CD1 3.98Å; L174-F382 HydrophobicContact CD1-CD2 3.81Å; L174-F382 HydrophobicContact CD1-CG 3.46Å; L174-F382 VanDerWaalsContact CD1-CG 3.46Å; L174-F384 HydrophobicContact CD1-CE2 4.01Å; L174-F384 HydrophobicContact CD1-CZ 4.43Å; L174-F384 HydrophobicContact CD2-CE2 4.08Å; L174-F384 HydrophobicContact CD2-CZ 3.68Å; L174-F384 HydrophobicContact CG-CE2 4.11Å; L174-F384 HydrophobicContact CG-CZ 4.19Å; L174-F400 VanDerWaalsContact CA-CE1 3.48Å; L174-F400 HydrophobicContact CB-CD1 3.7Å; L174-F400 HydrophobicContact CB-CE1 3.73Å; L174-F400 HydrophobicContact CB-CG 4.4Å; L174-F400 HydrophobicContact CB-CZ 4.45Å; L174-F400 HydrophobicContact CD1-CB 4.43Å; L174-F400 HydrophobicContact CD1-CD1 4.04Å; L174-F400 HydrophobicContact CG-CB 4.5Å; L174-F400 HydrophobicContact CG-CD1 3.93Å; L174-F400 HydrophobicContact CG-CE1 4.45Å; L174-F400 HydrophobicContact CG-CG 4.25Å
175	F	93.3	Very high	89.5	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-31.1	-177.6	-83.2	-64.6	0	0	0	113.2	I171 I172 K179 L213 F220 I250 I275 L277	I171-F175 HydrophobicContact CG2-CD2 3.74Å; I171-F175 HydrophobicContact CG2-CE2 3.69Å; I171-F175 VanDerWaalsContact O-CD2 3.29Å; I171-F175 WeakPolarHBondContact O-CD2 3.31Å; I171-F175 PolarHBondContact O-N 3.37Å; I172-F175 PolarHBondContact O-N 2.76Å; F175-K179 VanDerWaalsContact O-CB 3.25Å; F175-K179 WeakPolarHBondContact O-CB 3.48Å; F175-K179 PolarHBondContact O-N 2.82Å; F175-L213 HydrophobicContact CD2-CD1 4.4Å; F175-L213 HydrophobicContact CD2-CD2 3.95Å; F175-L213 HydrophobicContact CE2-CD1 4.15Å; F175-F220 HydrophobicContact CB-CD2 3.85Å; F175-F220 HydrophobicContact CB-CE2 3.79Å; F175-F220 HydrophobicContact CG-CE2 4.39Å; F175-I250 HydrophobicContact CD1-CD1 4.1Å; F175-I250 HydrophobicContact CE1-CD1 3.78Å; F175-I250 HydrophobicContact CE1-CG1 4.29Å; F175-I250 HydrophobicContact CE2-CG2 4.31Å; F175-I250 HydrophobicContact CZ-CD1 4.04Å; F175-I250 HydrophobicContact CZ-CG1 4.43Å; F175-I250 HydrophobicContact CZ-CG2 3.83Å; F175-I275 HydrophobicContact CE1-CD1 4.11Å; F175-I275 HydrophobicContact CE1-CG2 3.98Å; F175-I275 HydrophobicContact CZ-CG2 3.99Å; F175-L277 HydrophobicContact CE2-CD1 4.13Å; F175-L277 HydrophobicContact CE2-CD2 3.92Å; F175-L277 HydrophobicContact CE2-CG 4.35Å; F175-L277 HydrophobicContact CZ-CD1 4.47Å; F175-L277 HydrophobicContact CZ-CD2 4.14Å; F175-L277 HydrophobicContact CZ-CG 4.38Å
176	L	91.6	Very high	89.5	Confident	13 Å²	13	30.7 Å²	30.7	7%	0.068	14%	0.142	C	C	.	.	H	α-helix	trans	-69.6	-43.7	178.2	-77.1	171.4	0	0	0	112.8	I172 D173 L174 T180 R219 F220 Q223 T224	I172-L176 HydrophobicContact CG2-CD1 3.56Å; I172-L176 HydrophobicContact CG2-CG 4.27Å; I172-L176 WeakPolarHBondContact O-CB 3.34Å; I172-L176 VanDerWaalsContact O-CG 3.27Å; I172-L176 WeakPolarHBondContact O-CG 3.38Å; I172-L176 PolarHBondContact O-N 2.72Å; D173-L176 PolarHBondContact O-N 3.12Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 2.97Å; L176-T180 PolarHBondContact O-OG1 2.89Å; L176-R219 HydrophobicContact CD1-CB 3.48Å; L176-R219 VanDerWaalsContact CD1-CB 3.48Å; L176-F220 HydrophobicContact CD2-CD2 4.48Å; L176-Q223 HydrophobicContact CD2-CB 3.81Å; L176-T224 HydrophobicContact CD2-CG2 4.31Å
177	N	91	Very high	89.3	Confident	48 Å²	48	32.3 Å²	32.3	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-69.7	-48.5	175.6	-68	-71.8	0	0	0	110.2	D173 L174 K179 T180 E181 F400	D173-N177 PolarHBondContact O-N 2.98Å; D173-N177 VanDerWaalsContact O-N 3.14Å; D173-N177 PolarHBondContact O-ND2 3.36Å; L174-N177 PolarHBondContact O-N 3.06Å; N177-K179 PolarHBondContact O-N 3.21Å; N177-T180 PolarHBondContact O-N 3.1Å; N177-T180 VanDerWaalsContact O-N 3.11Å; N177-T180 PolarHBondContact O-OG1 3.44Å; N177-E181 WeakPolarHBondContact O-CB 3.46Å; N177-E181 PolarHBondContact O-N 3.24Å; N177-E181 VanDerWaalsContact O-N 3.08Å; N177-F400 HydrophobicContact CB-CE2 3.7Å; N177-F400 HydrophobicContact CB-CZ 4.33Å
178	F	90	Very high	89	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-31.6	-179.5	-172.8	-125.7	0	0	0	112.8	L174 L183 K186 W189 L298 F384 L398	L174-F178 VanDerWaalsContact O-CB 3.23Å; L174-F178 WeakPolarHBondContact O-CB 3.39Å; L174-F178 PolarHBondContact O-N 3.41Å; F178-L183 HydrophobicContact CE2-CD1 4.28Å; F178-K186 HydrophobicContact CD2-CD 4.16Å; F178-K186 HydrophobicContact CE1-CD 4.37Å; F178-K186 HydrophobicContact CE2-CD 3.52Å; F178-K186 HydrophobicContact CZ-CD 3.66Å; F178-K186 WeakPolarHBondContact O-CE 3.43Å; F178-K186 PolarHBondContact O-NZ 2.94Å; F178-W189 HydrophobicContact CD1-CZ3 4.09Å; F178-W189 HydrophobicContact CE1-CH2 4.03Å; F178-W189 AromaticContact CE1-CZ3 3.53Å; F178-W189 HydrophobicContact CE1-CZ3 3.53Å; F178-W189 HydrophobicContact CZ-CH2 4.29Å; F178-W189 HydrophobicContact CZ-CZ3 4.15Å; F178-L298 HydrophobicContact CE1-CD2 4.27Å; F178-L298 HydrophobicContact CZ-CD2 4.24Å; F178-F384 HydrophobicContact CB-CZ 4.49Å; F178-F384 AromaticContact CD1-CE1 3.62Å; F178-F384 HydrophobicContact CD1-CE1 3.62Å; F178-F384 AromaticContact CD1-CZ 3.71Å; F178-F384 HydrophobicContact CD1-CZ 3.71Å; F178-F384 HydrophobicContact CD2-CZ 4.41Å; F178-F384 HydrophobicContact CE1-CD1 4.12Å; F178-F384 AromaticContact CE1-CE1 3.35Å; F178-F384 HydrophobicContact CE1-CE1 3.35Å; F178-F384 AromaticContact CE1-CZ 3.93Å; F178-F384 HydrophobicContact CE1-CZ 3.93Å; F178-F384 HydrophobicContact CE2-CE1 4.38Å; F178-F384 HydrophobicContact CG-CE1 4.23Å; F178-F384 AromaticContact CG-CZ 3.96Å; F178-F384 HydrophobicContact CG-CZ 3.96Å; F178-F384 HydrophobicContact CZ-CD1 4.15Å; F178-F384 AromaticContact CZ-CE1 3.78Å; F178-F384 HydrophobicContact CZ-CE1 3.78Å; F178-F384 HydrophobicContact CZ-CZ 4.39Å; F178-L398 HydrophobicContact CE2-CD1 4.3Å; F178-L398 HydrophobicContact CE2-CD2 3.66Å; F178-L398 HydrophobicContact CZ-CD2 4.32Å
179	K	89.1	Confident	89	Confident	15 Å²	15	37.6 Å²	37.6	7%	0.065	18%	0.178	C	C	.	.	H	α-helix	trans	-53	-62.2	169.9	179.9	-168.1	130.2	160.7	0	111	F175 N177 E181 K186 W189 E190 F192 Q223 T224	F175-K179 VanDerWaalsContact O-CB 3.25Å; F175-K179 WeakPolarHBondContact O-CB 3.48Å; F175-K179 PolarHBondContact O-N 2.82Å; N177-K179 PolarHBondContact O-N 3.21Å; K179-E181 VanDerWaalsContact C-N 3.3Å; K179-E181 PolarHBondContact O-N 2.96Å; K179-K186 PolarHBondContact O-NZ 2.99Å; K179-W189 VanDerWaalsContact CD-O 3.28Å; K179-W189 WeakPolarHBondContact CD-O 3.42Å; K179-W189 WeakPolarHBondContact CE-O 3.46Å; K179-W189 WeakPolarHBondContact CG-O 3.41Å; K179-W189 PolarHBondContact O-N 2.85Å; K179-E190 IonicContact NZ-OE1 3.57Å; K179-E190 PolarHBondContact NZ-OE1 3.47Å; K179-F192 HydrophobicContact CB-CZ 4.44Å; K179-F192 HydrophobicContact CD-CE2 4.34Å; K179-F192 HydrophobicContact CG-CE2 4.2Å; K179-F192 HydrophobicContact CG-CZ 4.2Å; K179-Q223 PolarHBondContact NZ-O 3.03Å; K179-T224 HydrophobicContact CD-CG2 3.7Å
180	T	86.8	Confident	89	Confident	76 Å²	76	40 Å²	40	47%	0.466	19%	0.19	S	C	.	.	H	α-helix	trans	-76.9	-11.3	-169.2	49.8	0	0	0	0	114.5	L176 N177 E182	L176-T180 PolarHBondContact O-OG1 2.89Å; N177-T180 PolarHBondContact O-N 3.1Å; N177-T180 VanDerWaalsContact O-N 3.11Å; N177-T180 PolarHBondContact O-OG1 3.44Å; T180-E182 PolarHBondContact O-N 3.01Å
181	E	85.3	Confident	89.1	Confident	54 Å²	54	41.9 Å²	41.9	25%	0.252	20%	0.198	S	C	.	.			trans	-85.8	112.3	-174.9	-162.4	164.8	-165.3	0	0	111.2	N177 K179 L183 K186 T407	N177-E181 WeakPolarHBondContact O-CB 3.46Å; N177-E181 PolarHBondContact O-N 3.24Å; N177-E181 VanDerWaalsContact O-N 3.08Å; K179-E181 VanDerWaalsContact C-N 3.3Å; K179-E181 PolarHBondContact O-N 2.96Å; E181-L183 HydrophobicContact CG-CD2 3.93Å; E181-L183 HydrophobicContact CG-CG 4.46Å; E181-K186 PolarHBondContact O-NZ 2.86Å; E181-T407 WeakPolarHBondContact OE1-CB 3.46Å; E181-T407 WeakPolarHBondContact OE2-CB 3.38Å; E181-T407 PolarHBondContact OE2-OG1 3.33Å
182	E	81.5	Confident	89.1	Confident	167 Å²	167	42 Å²	42	78%	0.78	20%	0.199	S	C	*	.			trans	-78.9	117.3	174	-172.8	-176.8	-168.9	0	0	109.4	T180	T180-E182 PolarHBondContact O-N 3.01Å
183	L	85.1	Confident	89.2	Confident	19 Å²	19	42.1 Å²	42.1	10%	0.099	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-119.2	160.5	179	-53.6	173.4	0	0	0	109.4	F178 E181 F185 K186 L398 E409	F178-L183 HydrophobicContact CE2-CD1 4.28Å; E181-L183 HydrophobicContact CG-CD2 3.93Å; E181-L183 HydrophobicContact CG-CG 4.46Å; L183-F185 HydrophobicContact CB-CE1 4.48Å; L183-F185 HydrophobicContact CB-CE2 4.4Å; L183-F185 HydrophobicContact CB-CZ 4.31Å; L183-F185 HydrophobicContact CD1-CE2 3.92Å; L183-F185 HydrophobicContact CD1-CZ 3.88Å; L183-F185 PolarHBondContact O-N 3.37Å; L183-K186 HydrophobicContact CB-CB 4.01Å; L183-K186 HydrophobicContact CD1-CB 4.39Å; L183-K186 HydrophobicContact CD1-CD 4.41Å; L183-K186 HydrophobicContact CG-CB 4.47Å; L183-K186 PolarHBondContact N-O 3.2Å; L183-K186 CarbonylContact O-C 3.54Å; L183-K186 PolarHBondContact O-N 3Å; L183-L398 HydrophobicContact CD1-CD2 3.64Å; L183-E409 HydrophobicContact CD2-CG 4.21Å
184	R	83.9	Confident	89.4	Confident	185 Å²	185	41.3 Å²	41.3	70%	0.698	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.4	-178.6	-66.7	179.6	173.3	-170.2	-0.6	114.6	Q421	R184-Q421 PolarHBondContact O-NE2 3.44Å
185	F	86.5	Confident	89.3	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.013	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	11.8	179.6	55.3	-97.6	0	0	0	112.8	L183 L397 L398 E409 P414 L416 L422	L183-F185 HydrophobicContact CB-CE1 4.48Å; L183-F185 HydrophobicContact CB-CE2 4.4Å; L183-F185 HydrophobicContact CB-CZ 4.31Å; L183-F185 HydrophobicContact CD1-CE2 3.92Å; L183-F185 HydrophobicContact CD1-CZ 3.88Å; L183-F185 PolarHBondContact O-N 3.37Å; F185-L397 HydrophobicContact CD2-CD1 4.14Å; F185-L397 HydrophobicContact CD2-CD2 4.38Å; F185-L397 HydrophobicContact CE1-CD1 4.43Å; F185-L397 HydrophobicContact CE2-CD1 3.73Å; F185-L397 HydrophobicContact CE2-CD2 3.79Å; F185-L397 HydrophobicContact CE2-CG 3.74Å; F185-L397 HydrophobicContact CZ-CD1 3.89Å; F185-L397 HydrophobicContact CZ-CG 3.97Å; F185-L398 HydrophobicContact CE2-CD2 3.97Å; F185-L398 HydrophobicContact CZ-CD2 3.99Å; F185-E409 HydrophobicContact CE1-CG 4.4Å; F185-P414 HydrophobicContact CB-CG 4.01Å; F185-P414 HydrophobicContact CD1-CG 3.74Å; F185-P414 HydrophobicContact CD2-CG 4.35Å; F185-P414 HydrophobicContact CE1-CG 4.32Å; F185-P414 HydrophobicContact CG-CG 3.76Å; F185-L416 HydrophobicContact CB-CD1 3.81Å; F185-L416 HydrophobicContact CD2-CD1 4.15Å; F185-L416 HydrophobicContact CG-CD1 4.2Å; F185-L422 HydrophobicContact CD2-CD1 4.35Å; F185-L422 HydrophobicContact CD2-CG 4.44Å; F185-L422 WeakPolarHBondContact O-CB 3.46Å; F185-L422 PolarHBondContact O-N 3.16Å
186	K	89.4	Confident	89.2	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.013	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-148.3	119.1	-178	-172.2	-159	150.6	-77.9	0	111.9	F178 K179 E181 L183 W189 L422	F178-K186 HydrophobicContact CD2-CD 4.16Å; F178-K186 HydrophobicContact CE1-CD 4.37Å; F178-K186 HydrophobicContact CE2-CD 3.52Å; F178-K186 HydrophobicContact CZ-CD 3.66Å; F178-K186 WeakPolarHBondContact O-CE 3.43Å; F178-K186 PolarHBondContact O-NZ 2.94Å; K179-K186 PolarHBondContact O-NZ 2.99Å; E181-K186 PolarHBondContact O-NZ 2.86Å; L183-K186 HydrophobicContact CB-CB 4.01Å; L183-K186 HydrophobicContact CD1-CB 4.39Å; L183-K186 HydrophobicContact CD1-CD 4.41Å; L183-K186 HydrophobicContact CG-CB 4.47Å; L183-K186 PolarHBondContact N-O 3.2Å; L183-K186 CarbonylContact O-C 3.54Å; L183-K186 PolarHBondContact O-N 3Å; K186-W189 HydrophobicContact CD-CE3 4.44Å; K186-W189 HydrophobicContact CD-CH2 4.11Å; K186-W189 HydrophobicContact CD-CZ2 4.23Å; K186-W189 HydrophobicContact CD-CZ3 4.22Å; K186-W189 VanDerWaalsContact CE-CE3 3.43Å; K186-W189 HydrophobicContact CG-CH2 4.12Å; K186-W189 HydrophobicContact CG-CZ2 3.76Å; K186-L422 HydrophobicContact CB-CD1 4.2Å; K186-L422 HydrophobicContact CG-CD1 4.12Å
187	P	85.5	Confident	88.6	Confident	35 Å²	35	46.9 Å²	46.9	23%	0.227	22%	0.217	C	C	.	.			trans	-70.4	170.6	171.8	31.4	-34.2	0	0	0	111.8	D424	P187-D424 WeakPolarHBondContact CG-OD1 3.5Å
188	E	87.6	Confident	87.6	Confident	109 Å²	109	51.2 Å²	51.2	51%	0.509	24%	0.236	S	C	.	.			trans	-64.1	146.4	162.6	-177.9	167.3	-152	0	0	109.7
189	W	92.4	Very high	86.1	Confident	2 Å²	2	55 Å²	55	1%	0.008	26%	0.259	C	S	.	.			trans	-120.8	148.5	179	-66	-29.6	0	0	0	110.9	F178 K179 K186 F192 I248 L273 I275 L422 P423 D425	F178-W189 HydrophobicContact CD1-CZ3 4.09Å; F178-W189 HydrophobicContact CE1-CH2 4.03Å; F178-W189 AromaticContact CE1-CZ3 3.53Å; F178-W189 HydrophobicContact CE1-CZ3 3.53Å; F178-W189 HydrophobicContact CZ-CH2 4.29Å; F178-W189 HydrophobicContact CZ-CZ3 4.15Å; K179-W189 VanDerWaalsContact CD-O 3.28Å; K179-W189 WeakPolarHBondContact CD-O 3.42Å; K179-W189 WeakPolarHBondContact CE-O 3.46Å; K179-W189 WeakPolarHBondContact CG-O 3.41Å; K179-W189 PolarHBondContact O-N 2.85Å; K186-W189 HydrophobicContact CD-CE3 4.44Å; K186-W189 HydrophobicContact CD-CH2 4.11Å; K186-W189 HydrophobicContact CD-CZ2 4.23Å; K186-W189 HydrophobicContact CD-CZ3 4.22Å; K186-W189 VanDerWaalsContact CE-CE3 3.43Å; K186-W189 HydrophobicContact CG-CH2 4.12Å; K186-W189 HydrophobicContact CG-CZ2 3.76Å; W189-F192 HydrophobicContact CB-CE1 4.43Å; W189-F192 HydrophobicContact CB-CZ 3.82Å; W189-F192 AromaticContact CE3-CE1 3.95Å; W189-F192 HydrophobicContact CE3-CE1 3.95Å; W189-F192 HydrophobicContact CE3-CZ 4.19Å; W189-I248 HydrophobicContact CB-CD1 4.2Å; W189-I248 HydrophobicContact CD2-CD1 3.26Å; W189-I248 VanDerWaalsContact CE2-CD1 3.4Å; W189-I248 HydrophobicContact CE3-CD1 3.62Å; W189-I248 HydrophobicContact CG-CD1 3.56Å; W189-I248 HydrophobicContact CH2-CD1 4.19Å; W189-I248 HydrophobicContact CZ2-CD1 3.88Å; W189-I248 HydrophobicContact CZ3-CD1 4.06Å; W189-L273 HydrophobicContact CH2-CD2 3.65Å; W189-L273 HydrophobicContact CZ2-CD2 3.9Å; W189-I275 HydrophobicContact CZ3-CD1 4.16Å; W189-L422 HydrophobicContact CH2-CD1 4.1Å; W189-L422 HydrophobicContact CZ2-CB 4.16Å; W189-L422 HydrophobicContact CZ2-CD1 4.2Å; W189-P423 PolarHBondContact NE1-O 2.67Å; W189-D425 HydrophobicContact CB-CB 3.96Å; W189-D425 HydrophobicContact CG-CB 4.02Å
190	E	90.1	Very high	84.5	Confident	75 Å²	75	60.2 Å²	60.2	35%	0.35	29%	0.288	S	S	.	.			trans	-118.4	-37	176.5	-96.1	-84.3	98.8	0	0	112.9	K179 Q225 D425	K179-E190 IonicContact NZ-OE1 3.57Å; K179-E190 PolarHBondContact NZ-OE1 3.47Å; E190-Q225 PolarHBondContact O-N 3.25Å; E190-Q225 PolarHBondContact OE2-NE2 3.32Å; E190-D425 WeakPolarHBondContact CA-OD2 3.28Å; E190-D425 VanDerWaalsContact N-CG 3.32Å; E190-D425 PolarHBondContact N-OD2 3.05Å
191	K	92.1	Very high	83.3	Confident	43 Å²	43	61.5 Å²	61.5	19%	0.187	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.2	-161.8	-60.5	171.7	-168.6	170.2	0	112.6	Q225 N245 S246 D425 E426	K191-Q225 CarbonylContact C-O 3.59Å; K191-Q225 VanDerWaalsContact CA-O 3.22Å; K191-Q225 WeakPolarHBondContact CA-O 3.44Å; K191-Q225 HydrophobicContact CB-CB 4.5Å; K191-Q225 HydrophobicContact CG-CB 3.91Å; K191-N245 WeakPolarHBondContact CD-O 3.35Å; K191-S246 WeakPolarHBondContact O-CB 3.42Å; K191-S246 PolarHBondContact O-OG 2.61Å; K191-D425 WeakPolarHBondContact CB-OD2 3.41Å; K191-D425 PolarHBondContact N-OD2 2.9Å; K191-E426 HydrophobicContact CD-CG 4.26Å; K191-E426 WeakPolarHBondContact CE-OE1 3.29Å; K191-E426 IonicContact NZ-OE1 3.83Å; K191-E426 PolarHBondContact NZ-OE1 2.97Å; K191-E426 IonicContact NZ-OE2 2.7Å; K191-E426 PolarHBondContact NZ-OE2 3.21Å
192	F	93.9	Very high	82.4	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.2	-178.7	-58.2	-89.8	0	0	0	112.4	K179 W189 F220 T224 Q225 R226 V227 I248 I250	K179-F192 HydrophobicContact CB-CZ 4.44Å; K179-F192 HydrophobicContact CD-CE2 4.34Å; K179-F192 HydrophobicContact CG-CE2 4.2Å; K179-F192 HydrophobicContact CG-CZ 4.2Å; W189-F192 HydrophobicContact CB-CE1 4.43Å; W189-F192 HydrophobicContact CB-CZ 3.82Å; W189-F192 AromaticContact CE3-CE1 3.95Å; W189-F192 HydrophobicContact CE3-CE1 3.95Å; W189-F192 HydrophobicContact CE3-CZ 4.19Å; F192-F220 HydrophobicContact CD2-CZ 4.1Å; F192-F220 HydrophobicContact CG-CZ 4.26Å; F192-T224 HydrophobicContact CE2-CG2 4.24Å; F192-Q225 PolarHBondContact N-O 3.05Å; F192-R226 CarbonylContact O-C 3.53Å; F192-R226 WeakPolarHBondContact O-CA 3.38Å; F192-V227 PolarHBondContact O-N 3.12Å; F192-I248 HydrophobicContact CD1-CB 4.09Å; F192-I248 HydrophobicContact CD1-CD1 4.37Å; F192-I248 HydrophobicContact CD1-CG2 3.8Å; F192-I248 HydrophobicContact CE1-CD1 4.02Å; F192-I248 HydrophobicContact CE1-CG2 4.12Å; F192-I250 HydrophobicContact CB-CD1 4.38Å; F192-I250 HydrophobicContact CD1-CD1 3.95Å; F192-I250 HydrophobicContact CD1-CG1 4.39Å; F192-I250 HydrophobicContact CG-CD1 4.33Å
193	Y	94.8	Very high	82.2	Confident	12 Å²	12	55.3 Å²	55.3	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.5	155.1	-74.3	-74.2	0	0	0	109.7	V227 V229 I238 R244 N245 S246 I248 I249 I250	Y193-V227 WeakPolarHBondContact CA-O 3.36Å; Y193-V227 HydrophobicContact CD1-CB 3.66Å; Y193-V227 HydrophobicContact CD1-CG1 3.93Å; Y193-V227 HydrophobicContact CE1-CB 3.74Å; Y193-V227 HydrophobicContact CE1-CG1 3.74Å; Y193-V227 HydrophobicContact CE1-CG2 4.33Å; Y193-V229 HydrophobicContact CD1-CG2 3.57Å; Y193-V229 HydrophobicContact CE1-CG2 4.3Å; Y193-V229 HydrophobicContact CG-CG2 4.32Å; Y193-I238 HydrophobicContact CD1-CD1 3.74Å; Y193-I238 HydrophobicContact CD2-CG2 3.85Å; Y193-I238 HydrophobicContact CE1-CD1 3.45Å; Y193-I238 VanDerWaalsContact CE1-CD1 3.45Å; Y193-I238 HydrophobicContact CE1-CG1 4.03Å; Y193-I238 HydrophobicContact CE1-CG2 4.44Å; Y193-I238 HydrophobicContact CE2-CD1 4.47Å; Y193-I238 HydrophobicContact CE2-CG1 4.46Å; Y193-I238 HydrophobicContact CE2-CG2 3.5Å; Y193-I238 VanDerWaalsContact CE2-CG2 3.5Å; Y193-I238 HydrophobicContact CG-CD1 4.37Å; Y193-I238 HydrophobicContact CG-CG2 4.44Å; Y193-R244 HydrophobicContact CE2-CB 4.3Å; Y193-N245 HydrophobicContact CE2-CB 4.33Å; Y193-N245 WeakPolarHBondContact OH-CB 3.33Å; Y193-N245 PolarHBondContact OH-N 3.46Å; Y193-S246 VanDerWaalsContact CE2-O 3.3Å; Y193-S246 WeakPolarHBondContact CE2-O 2.95Å; Y193-I248 PolarHBondContact N-O 2.65Å; Y193-I249 HydrophobicContact CD2-CG1 4.45Å; Y193-I250 PolarHBondContact O-N 2.81Å
194	V	94.4	Very high	81.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	113.5	173.7	-176.8	0	0	0	0	108.4	I210 L213 F220 R226 V227 M228 V229 I250	V194-I210 HydrophobicContact CG1-CD1 4.29Å; V194-I210 HydrophobicContact CG1-CG2 4.16Å; V194-L213 HydrophobicContact CG1-CB 4.13Å; V194-L213 HydrophobicContact CG1-CD1 4.27Å; V194-F220 HydrophobicContact CG2-CE1 4.36Å; V194-R226 HydrophobicContact CG2-CB 4.41Å; V194-V227 PolarHBondContact N-O 2.95Å; V194-M228 HydrophobicContact CB-CE 3.86Å; V194-M228 HydrophobicContact CB-SD 3.83Å; V194-M228 HydrophobicContact CG1-CE 3.7Å; V194-M228 HydrophobicContact CG1-SD 4.18Å; V194-M228 HydrophobicContact CG2-SD 4.47Å; V194-M228 WeakPolarHBondContact O-CA 3.23Å; V194-V229 PolarHBondContact O-N 2.72Å; V194-I250 HydrophobicContact CG2-CD1 4.46Å
195	Y	92.3	Very high	81.9	Confident	27 Å²	27	47.3 Å²	47.3	11%	0.106	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.1	180	-179.3	-118.3	0	0	0	111.2	V229 L235 I250 L251 I261	Y195-V229 WeakPolarHBondContact CA-O 3.29Å; Y195-V229 HydrophobicContact CD2-CB 4.1Å; Y195-V229 HydrophobicContact CD2-CG1 4.01Å; Y195-V229 WeakPolarHBondContact CD2-O 3.28Å; Y195-L235 HydrophobicContact CD1-CD2 4.09Å; Y195-L235 HydrophobicContact CD2-CB 4.36Å; Y195-L235 HydrophobicContact CD2-CD1 4.24Å; Y195-L235 HydrophobicContact CD2-CD2 3.93Å; Y195-L235 HydrophobicContact CD2-CG 4.42Å; Y195-L235 HydrophobicContact CE1-CD2 4.22Å; Y195-L235 HydrophobicContact CE2-CB 4.38Å; Y195-L235 HydrophobicContact CE2-CD2 4.08Å; Y195-L235 HydrophobicContact CG-CD1 4.35Å; Y195-L235 HydrophobicContact CG-CD2 3.94Å; Y195-I250 PolarHBondContact N-O 2.94Å; Y195-L251 HydrophobicContact CD1-CB 4.25Å; Y195-I261 HydrophobicContact CE1-CD1 4.38Å
196	K	89.4	Confident	82	Confident	42 Å²	42	47.7 Å²	47.7	18%	0.183	24%	0.244	C	C	.	.			trans	-117.1	100.7	178.7	-179.2	167.3	171.1	168	0	110.4	I210 N211 E214 M228 V229 R230	K196-I210 HydrophobicContact CB-CG2 3.69Å; K196-I210 HydrophobicContact CD-CG2 4.17Å; K196-I210 HydrophobicContact CG-CG2 3.89Å; K196-N211 WeakPolarHBondContact CE-OD1 3.23Å; K196-N211 PolarHBondContact NZ-OD1 3.05Å; K196-E214 WeakPolarHBondContact CD-OE2 3.24Å; K196-E214 IonicContact NZ-OE2 3.86Å; K196-E214 PolarHBondContact NZ-OE2 2.88Å; K196-M228 HydrophobicContact CB-CE 4.16Å; K196-V229 PolarHBondContact N-O 2.73Å; K196-R230 HydrophobicContact CB-CG 4.46Å
197	K	79.2	Confident	81.9	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.278	26%	0.256	S	S	.	.			trans	-53	147.9	173.1	-160.5	179.6	-169.3	-178.9	0	111.4	N201 E257	K197-N201 VanDerWaalsContact CE-O 3.29Å; K197-N201 WeakPolarHBondContact CE-O 3.28Å; K197-N201 PolarHBondContact NZ-O 3.31Å; K197-E257 VanDerWaalsContact CE-OE2 3.22Å; K197-E257 WeakPolarHBondContact CE-OE2 3.47Å; K197-E257 IonicContact NZ-OE1 2.72Å; K197-E257 PolarHBondContact NZ-OE1 2.73Å; K197-E257 IonicContact NZ-OE2 3.74Å; K197-E257 PolarHBondContact NZ-OE2 2.8Å
198	Q	69.9	Low	82	Confident	139 Å²	139	49.9 Å²	49.9	65%	0.65	25%	0.25	S	C	*	.			trans	-70.2	146	171.8	-64.9	-171.1	3.3	0	0	110.7	N200	Q198-N200 PolarHBondContact O-N 3.33Å
199	V	59.1	Low	82.2	Confident	82 Å²	82	44.7 Å²	44.7	50%	0.497	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-60.4	-25.7	-158	-177.5	0	0	0	0	114.9	N201 F207	V199-N201 PolarHBondContact O-N 3.1Å; V199-F207 HydrophobicContact CG2-CE2 4.45Å
200	N	56.3	Low	82.1	Confident	124 Å²	124	45.1 Å²	45.1	66%	0.663	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-62.7	-19.2	-167	-63.7	-0.3	0	0	0	115.9	Q94 Q198	Q94-N200 PolarHBondContact OE1-O 2.77Å; Q198-N200 PolarHBondContact O-N 3.33Å
201	N	60.2	Low	82.1	Confident	103 Å²	103	42.8 Å²	42.8	55%	0.551	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-139.3	41.1	-171.7	-66.7	72.3	0	0	0	112.2	K197 V199	K197-N201 VanDerWaalsContact CE-O 3.29Å; K197-N201 WeakPolarHBondContact CE-O 3.28Å; K197-N201 PolarHBondContact NZ-O 3.31Å; V199-N201 PolarHBondContact O-N 3.1Å
202	A	67.3	Low	82	Confident	20 Å²	20	40.9 Å²	40.9	17%	0.165	21%	0.21	C	C	.	.			trans	-119.4	140.6	177.3	0	0	0	0	0	111.4
203	T	77.6	Confident	81.9	Confident	71 Å²	71	40.7 Å²	40.7	44%	0.436	21%	0.209	S	C	.	.			trans	-69	157.4	169.2	61.9	0	0	0	0	110.3	D205 C206 F207	T203-D205 WeakPolarHBondContact CB-OD1 3.28Å; T203-D205 PolarHBondContact O-N 3.38Å; T203-D205 PolarHBondContact OG1-OD1 3.43Å; T203-C206 WeakPolarHBondContact OG1-CB 3.32Å; T203-F207 WeakPolarHBondContact O-CB 3.45Å; T203-F207 PolarHBondContact O-N 3.23Å
204	E	78.7	Confident	81.7	Confident	23 Å²	23	41.5 Å²	41.5	11%	0.107	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-40.4	-177	175	163.9	176.2	0	0	112.2	C96 C125 T126 F151 F207 W208	C96-E204 VanDerWaalsContact CB-OE2 3.3Å; C96-E204 WeakPolarHBondContact CB-OE2 3.43Å; C125-E204 WeakPolarHBondContact CA-OE2 3.48Å; T126-E204 VanDerWaalsContact CB-OE1 3.23Å; T126-E204 WeakPolarHBondContact CB-OE1 3.46Å; T126-E204 PolarHBondContact N-OE1 2.96Å; T126-E204 PolarHBondContact OG1-OE1 2.83Å; F151-E204 HydrophobicContact CD2-CG 4.36Å; E204-F207 WeakPolarHBondContact O-CB 3.29Å; E204-F207 PolarHBondContact O-N 3.03Å; E204-W208 PolarHBondContact O-N 3.28Å; E204-W208 PolarHBondContact OE1-NE1 3.31Å
205	D	84.3	Confident	81.3	Confident	12 Å²	12	42.7 Å²	42.7	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-51.3	178.6	66.6	-62.1	0	0	0	110.9	F151 T203 F207 W208 Y209 Y280	F151-D205 HydrophobicContact CD1-CB 4.44Å; F151-D205 HydrophobicContact CD2-CB 3.8Å; F151-D205 HydrophobicContact CE1-CB 4.27Å; F151-D205 HydrophobicContact CE2-CB 3.61Å; F151-D205 HydrophobicContact CG-CB 4.21Å; F151-D205 HydrophobicContact CZ-CB 3.85Å; T203-D205 WeakPolarHBondContact CB-OD1 3.28Å; T203-D205 PolarHBondContact O-N 3.38Å; T203-D205 PolarHBondContact OG1-OD1 3.43Å; D205-F207 VanDerWaalsContact C-N 3.33Å; D205-F207 PolarHBondContact O-N 3.09Å; D205-W208 PolarHBondContact O-N 3.28Å; D205-W208 VanDerWaalsContact O-N 3.09Å; D205-Y209 VanDerWaalsContact C-CD2 3.44Å; D205-Y209 HydrophobicContact CB-CD2 4.25Å; D205-Y209 HydrophobicContact CB-CE2 3.57Å; D205-Y209 WeakPolarHBondContact O-CD2 3.46Å; D205-Y209 PolarHBondContact O-N 2.88Å; D205-Y280 HydrophobicContact CB-CE2 3.99Å; D205-Y280 WeakPolarHBondContact OD2-CE2 3.24Å
206	C	87.8	Confident	80.5	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-37.7	175.3	-82	0	0	0	0	113.6	T203 W208 I210 C252 G253	T203-C206 WeakPolarHBondContact OG1-CB 3.32Å; C206-W208 VanDerWaalsContact C-N 3.33Å; C206-W208 PolarHBondContact O-N 3.01Å; C206-I210 WeakPolarHBondContact O-CB 3.47Å; C206-I210 WeakPolarHBondContact O-CG1 3.33Å; C206-I210 PolarHBondContact O-N 3.23Å; C206-C252 WeakPolarHBondContact CA-SG 3.21Å; C206-C252 HydrophobicContact CB-CB 3.64Å; C206-C252 WeakPolarHBondContact CB-SG 3.42Å; C206-C252 WeakPolarHBondContact SG-CB 3.39Å; C206-C252 CovalentContact SG-SG 2.04Å; C206-C252 PolarHBondContact SG-SG 3.27Å; C206-G253 PolarHBondContact SG-N 3.14Å; C206-G253 VanDerWaalsContact SG-N 3.35Å
207	F	86.8	Confident	79.8	Confident	56 Å²	56	50.2 Å²	50.2	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-46.5	173.1	174.1	-102.4	0	0	0	111	F127 V199 T203 E204 D205 N211	F127-F207 HydrophobicContact CE2-CE1 4.3Å; V199-F207 HydrophobicContact CG2-CE2 4.45Å; T203-F207 WeakPolarHBondContact O-CB 3.45Å; T203-F207 PolarHBondContact O-N 3.23Å; E204-F207 WeakPolarHBondContact O-CB 3.29Å; E204-F207 PolarHBondContact O-N 3.03Å; D205-F207 VanDerWaalsContact C-N 3.33Å; D205-F207 PolarHBondContact O-N 3.09Å; F207-N211 VanDerWaalsContact CD1-ND2 3.34Å; F207-N211 WeakPolarHBondContact CD1-ND2 3.17Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.33Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.36Å; F207-N211 VanDerWaalsContact O-CB 3.24Å; F207-N211 WeakPolarHBondContact O-CB 3.38Å; F207-N211 PolarHBondContact O-N 3.34Å; F207-N211 PolarHBondContact O-ND2 2.6Å
208	W	88.3	Confident	80	Confident	29 Å²	29	47.4 Å²	47.4	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-75.2	-36.2	179.7	-71.2	117	0	0	0	114.5	T126 F127 F151 E204 D205 C206 N211 A212	T126-W208 HydrophobicContact CG2-CD2 4.38Å; T126-W208 HydrophobicContact CG2-CH2 4.44Å; T126-W208 HydrophobicContact CG2-CZ2 3.87Å; T126-W208 VanDerWaalsContact OG1-CD1 3.3Å; T126-W208 PolarHBondContact OG1-NE1 3.35Å; F127-W208 HydrophobicContact CD1-CZ2 4.4Å; F127-W208 AromaticContact CD2-CZ2 3.94Å; F127-W208 HydrophobicContact CD2-CZ2 3.94Å; F127-W208 AromaticContact CE1-CH2 3.9Å; F127-W208 HydrophobicContact CE1-CH2 3.9Å; F127-W208 HydrophobicContact CE1-CZ2 4.08Å; F127-W208 HydrophobicContact CE2-CH2 4.06Å; F127-W208 AromaticContact CE2-CZ2 3.58Å; F127-W208 HydrophobicContact CE2-CZ2 3.58Å; F127-W208 HydrophobicContact CG-CZ2 4.33Å; F127-W208 AromaticContact CZ-CH2 3.63Å; F127-W208 HydrophobicContact CZ-CH2 3.63Å; F127-W208 AromaticContact CZ-CZ2 3.66Å; F127-W208 HydrophobicContact CZ-CZ2 3.66Å; F151-W208 HydrophobicContact CB-CB 3.78Å; F151-W208 HydrophobicContact CB-CG 4.25Å; E204-W208 PolarHBondContact O-N 3.28Å; E204-W208 PolarHBondContact OE1-NE1 3.31Å; D205-W208 PolarHBondContact O-N 3.28Å; D205-W208 VanDerWaalsContact O-N 3.09Å; C206-W208 VanDerWaalsContact C-N 3.33Å; C206-W208 PolarHBondContact O-N 3.01Å; W208-N211 HydrophobicContact CE3-CB 4.23Å; W208-N211 PolarHBondContact O-N 2.84Å; W208-A212 VanDerWaalsContact O-CB 3.27Å; W208-A212 WeakPolarHBondContact O-CB 3.44Å; W208-A212 PolarHBondContact O-N 2.87Å
209	Y	91.1	Very high	80.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-47.8	175.2	-60	-37.8	0	0	0	111.2	F151 P166 A168 I171 D205 A212 L213 L279 Y280	F151-Y209 HydrophobicContact CB-CE1 4.32Å; F151-Y209 HydrophobicContact CD1-CE1 4.2Å; F151-Y209 AromaticContact CD1-CZ 3.98Å; F151-Y209 VanDerWaalsContact CD1-OH 3.32Å; F151-Y209 WeakPolarHBondContact CD1-OH 3.28Å; F151-Y209 WeakPolarHBondContact CE1-OH 3.47Å; P166-Y209 PolarHBondContact O-OH 2.87Å; A168-Y209 HydrophobicContact CB-CD1 3.66Å; A168-Y209 HydrophobicContact CB-CE1 4.17Å; I171-Y209 HydrophobicContact CB-CD1 4.36Å; I171-Y209 HydrophobicContact CG1-CD1 3.75Å; I171-Y209 HydrophobicContact CG1-CE1 3.9Å; I171-Y209 HydrophobicContact CG1-CG 4.31Å; D205-Y209 VanDerWaalsContact C-CD2 3.44Å; D205-Y209 HydrophobicContact CB-CD2 4.25Å; D205-Y209 HydrophobicContact CB-CE2 3.57Å; D205-Y209 WeakPolarHBondContact O-CD2 3.46Å; D205-Y209 PolarHBondContact O-N 2.88Å; Y209-A212 WeakPolarHBondContact O-CB 3.14Å; Y209-A212 PolarHBondContact O-N 2.9Å; Y209-L213 PolarHBondContact O-N 3.37Å; Y209-L279 HydrophobicContact CD2-CD1 4.44Å; Y209-L279 HydrophobicContact CE1-CD1 4.47Å; Y209-L279 HydrophobicContact CE2-CD1 3.53Å; Y209-L279 HydrophobicContact CE2-CG 4.29Å; Y209-L279 WeakPolarHBondContact OH-CD1 3.44Å; Y209-Y280 HydrophobicContact CE2-CE2 4.46Å; Y209-Y280 PolarHBondContact OH-OH 3.23Å
210	I	91.2	Very high	82.1	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-36.4	176.9	-61.2	-60.5	0	0	0	111.8	V194 K196 C206 A212 L213 E214 C252 L277	V194-I210 HydrophobicContact CG1-CD1 4.29Å; V194-I210 HydrophobicContact CG1-CG2 4.16Å; K196-I210 HydrophobicContact CB-CG2 3.69Å; K196-I210 HydrophobicContact CD-CG2 4.17Å; K196-I210 HydrophobicContact CG-CG2 3.89Å; C206-I210 WeakPolarHBondContact O-CB 3.47Å; C206-I210 WeakPolarHBondContact O-CG1 3.33Å; C206-I210 PolarHBondContact O-N 3.23Å; I210-A212 VanDerWaalsContact C-N 3.29Å; I210-A212 PolarHBondContact O-N 2.79Å; I210-L213 HydrophobicContact CD1-CD1 4.48Å; I210-L213 PolarHBondContact O-N 3.01Å; I210-E214 PolarHBondContact O-N 3.11Å; I210-C252 HydrophobicContact CD1-CB 3.91Å; I210-C252 HydrophobicContact CG1-CB 3.79Å; I210-L277 HydrophobicContact CD1-CD1 4.3Å
211	N	89.4	Confident	83.5	Confident	25 Å²	25	37.6 Å²	37.6	13%	0.134	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-36.5	171.8	-74.8	-23.1	0	0	0	112.6	K196 F207 W208 L213 E214 A215	K196-N211 WeakPolarHBondContact CE-OD1 3.23Å; K196-N211 PolarHBondContact NZ-OD1 3.05Å; F207-N211 VanDerWaalsContact CD1-ND2 3.34Å; F207-N211 WeakPolarHBondContact CD1-ND2 3.17Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.33Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.36Å; F207-N211 VanDerWaalsContact O-CB 3.24Å; F207-N211 WeakPolarHBondContact O-CB 3.38Å; F207-N211 PolarHBondContact O-N 3.34Å; F207-N211 PolarHBondContact O-ND2 2.6Å; W208-N211 HydrophobicContact CE3-CB 4.23Å; W208-N211 PolarHBondContact O-N 2.84Å; N211-L213 VanDerWaalsContact C-N 3.34Å; N211-E214 PolarHBondContact O-N 2.81Å; N211-A215 VanDerWaalsContact O-CB 3.28Å; N211-A215 WeakPolarHBondContact O-CB 3.3Å; N211-A215 PolarHBondContact O-N 2.86Å
212	A	90.2	Very high	84.8	Confident	3 Å²	3	36.8 Å²	36.8	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-29.3	179.3	0	0	0	0	0	112.8	L153 A168 I172 W208 Y209 I210 A218	L153-A212 HydrophobicContact CD1-CB 4.04Å; L153-A212 HydrophobicContact CD2-CB 4.07Å; L153-A212 HydrophobicContact CG-CB 4.09Å; A168-A212 HydrophobicContact CB-CB 3.56Å; I172-A212 HydrophobicContact CD1-CB 3.9Å; I172-A212 HydrophobicContact CG1-CB 4.25Å; W208-A212 VanDerWaalsContact O-CB 3.27Å; W208-A212 WeakPolarHBondContact O-CB 3.44Å; W208-A212 PolarHBondContact O-N 2.87Å; Y209-A212 WeakPolarHBondContact O-CB 3.14Å; Y209-A212 PolarHBondContact O-N 2.9Å; I210-A212 VanDerWaalsContact C-N 3.29Å; I210-A212 PolarHBondContact O-N 2.79Å; A212-A218 WeakPolarHBondContact O-CB 3.32Å
213	L	91.6	Very high	85.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-77	-30	169.4	-58.6	178.3	0	0	0	112.2	F175 V194 Y209 I210 N211 F220 R226 I250	F175-L213 HydrophobicContact CD2-CD1 4.4Å; F175-L213 HydrophobicContact CD2-CD2 3.95Å; F175-L213 HydrophobicContact CE2-CD1 4.15Å; V194-L213 HydrophobicContact CG1-CB 4.13Å; V194-L213 HydrophobicContact CG1-CD1 4.27Å; Y209-L213 PolarHBondContact O-N 3.37Å; I210-L213 HydrophobicContact CD1-CD1 4.48Å; I210-L213 PolarHBondContact O-N 3.01Å; N211-L213 VanDerWaalsContact C-N 3.34Å; L213-F220 HydrophobicContact CB-CD1 4.03Å; L213-F220 HydrophobicContact CB-CE1 4.17Å; L213-F220 HydrophobicContact CD2-CB 4.17Å; L213-F220 HydrophobicContact CD2-CD1 3.6Å; L213-F220 HydrophobicContact CD2-CD2 4.05Å; L213-F220 HydrophobicContact CD2-CE1 3.91Å; L213-F220 HydrophobicContact CD2-CE2 4.34Å; L213-F220 HydrophobicContact CD2-CG 3.66Å; L213-F220 HydrophobicContact CD2-CZ 4.28Å; L213-F220 HydrophobicContact CG-CD1 4.39Å; L213-R226 VanDerWaalsContact O-CD 3.29Å; L213-R226 WeakPolarHBondContact O-CD 3.34Å; L213-R226 PolarHBondContact O-NE 2.92Å; L213-I250 HydrophobicContact CD1-CD1 4.36Å; L213-I250 HydrophobicContact CD1-CG2 3.84Å
214	E	89.8	Confident	86.2	Confident	30 Å²	30	37.7 Å²	37.7	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-75.5	-44	176.6	-174.3	168.4	-130.4	0	0	113.2	K196 I210 N211 P216 R226 M228 R230	K196-E214 WeakPolarHBondContact CD-OE2 3.24Å; K196-E214 IonicContact NZ-OE2 3.86Å; K196-E214 PolarHBondContact NZ-OE2 2.88Å; I210-E214 PolarHBondContact O-N 3.11Å; N211-E214 PolarHBondContact O-N 2.81Å; E214-P216 WeakPolarHBondContact O-CD 3.33Å; E214-R226 PolarHBondContact O-NH2 2.8Å; E214-M228 HydrophobicContact CB-CE 3.7Å; E214-M228 HydrophobicContact CB-SD 3.87Å; E214-M228 HydrophobicContact CG-CE 3.88Å; E214-M228 HydrophobicContact CG-CG 4.03Å; E214-M228 HydrophobicContact CG-SD 3.9Å; E214-R230 IonicContact OE1-CZ 2.75Å; E214-R230 IonicContact OE1-NE 2.8Å; E214-R230 PolarHBondContact OE1-NE 2.91Å; E214-R230 IonicContact OE1-NH2 2.62Å; E214-R230 PolarHBondContact OE1-NH2 3.34Å; E214-R230 IonicContact OE2-NH2 2.8Å
215	A	86	Confident	86.7	Confident	25 Å²	25	41.4 Å²	41.4	21%	0.207	23%	0.229	C	C	.	.			trans	-59.5	120.2	-164.8	0	0	0	0	0	113.9	L153 N211 S217 A218 A221	L153-A215 HydrophobicContact CD1-CB 4.48Å; N211-A215 VanDerWaalsContact O-CB 3.28Å; N211-A215 WeakPolarHBondContact O-CB 3.3Å; N211-A215 PolarHBondContact O-N 2.86Å; A215-S217 PolarHBondContact O-N 2.75Å; A215-A218 HydrophobicContact CB-CB 4.47Å; A215-A218 VanDerWaalsContact O-CB 3.27Å; A215-A218 WeakPolarHBondContact O-CB 3.49Å; A215-A218 PolarHBondContact O-N 3.32Å; A215-A221 WeakPolarHBondContact O-CB 3.46Å
216	P	76.9	Confident	87.1	Confident	113 Å²	113	43.9 Å²	43.9	73%	0.734	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.9	-178.8	-27.5	36	0	0	0	116.3	E214	E214-P216 WeakPolarHBondContact O-CD 3.33Å
217	S	74.4	Confident	87.3	Confident	114 Å²	114	46 Å²	46	80%	0.797	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.3	174	48.7	0	0	0	0	114	A215	A215-S217 PolarHBondContact O-N 2.75Å
218	A	82.2	Confident	87.6	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.041	25%	0.25	C	C	.	.	S	Bend	trans	-77.6	150.8	178.2	0	0	0	0	0	112	L153 I172 A212 A215 A221 S222	L153-A218 HydrophobicContact CD1-CB 4.07Å; I172-A218 HydrophobicContact CD1-CB 3.78Å; A212-A218 WeakPolarHBondContact O-CB 3.32Å; A215-A218 HydrophobicContact CB-CB 4.47Å; A215-A218 VanDerWaalsContact O-CB 3.27Å; A215-A218 WeakPolarHBondContact O-CB 3.49Å; A215-A218 PolarHBondContact O-N 3.32Å; A218-A221 HydrophobicContact CB-CB 4.16Å; A218-A221 WeakPolarHBondContact O-CB 3.49Å; A218-A221 PolarHBondContact O-N 3.44Å; A218-S222 PolarHBondContact O-N 2.76Å; A218-S222 PolarHBondContact O-OG 3.14Å; A218-S222 VanDerWaalsContact O-OG 3.05Å
219	R	86	Confident	87.8	Confident	125 Å²	125	44.5 Å²	44.5	47%	0.472	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-42.5	176.1	-72.9	178.7	55.4	-146	-6.6	112.4	I172 D173 L176 A221 S222 Q223	I172-R219 HydrophobicContact CG2-CB 4.03Å; D173-R219 IonicContact OD1-CZ 2.7Å; D173-R219 IonicContact OD1-NH1 3.97Å; D173-R219 PolarHBondContact OD1-NH1 3.47Å; L176-R219 HydrophobicContact CD1-CB 3.48Å; L176-R219 VanDerWaalsContact CD1-CB 3.48Å; R219-A221 VanDerWaalsContact C-N 3.28Å; R219-A221 PolarHBondContact O-N 3.38Å; R219-S222 PolarHBondContact O-N 3.49Å; R219-S222 VanDerWaalsContact O-N 3.13Å; R219-S222 PolarHBondContact O-OG 3.31Å; R219-S222 VanDerWaalsContact O-OG 3.09Å; R219-Q223 WeakPolarHBondContact O-CB 3.14Å; R219-Q223 WeakPolarHBondContact O-CG 3.38Å; R219-Q223 PolarHBondContact O-N 3.11Å
220	F	88.7	Confident	87.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-52.6	-50.1	173.7	-174.1	-98.3	0	0	0	111	I172 F175 L176 F192 V194 L213 S222 Q223 T224 R226 I250	I172-F220 HydrophobicContact CG1-CB 4.36Å; I172-F220 HydrophobicContact CG2-CB 4.14Å; F175-F220 HydrophobicContact CB-CD2 3.85Å; F175-F220 HydrophobicContact CB-CE2 3.79Å; F175-F220 HydrophobicContact CG-CE2 4.39Å; L176-F220 HydrophobicContact CD2-CD2 4.48Å; F192-F220 HydrophobicContact CD2-CZ 4.1Å; F192-F220 HydrophobicContact CG-CZ 4.26Å; V194-F220 HydrophobicContact CG2-CE1 4.36Å; L213-F220 HydrophobicContact CB-CD1 4.03Å; L213-F220 HydrophobicContact CB-CE1 4.17Å; L213-F220 HydrophobicContact CD2-CB 4.17Å; L213-F220 HydrophobicContact CD2-CD1 3.6Å; L213-F220 HydrophobicContact CD2-CD2 4.05Å; L213-F220 HydrophobicContact CD2-CE1 3.91Å; L213-F220 HydrophobicContact CD2-CE2 4.34Å; L213-F220 HydrophobicContact CD2-CG 3.66Å; L213-F220 HydrophobicContact CD2-CZ 4.28Å; L213-F220 HydrophobicContact CG-CD1 4.39Å; F220-S222 PolarHBondContact O-N 3.25Å; F220-S222 VanDerWaalsContact O-N 3.09Å; F220-Q223 PolarHBondContact O-N 2.83Å; F220-Q223 VanDerWaalsContact O-N 3.13Å; F220-T224 HydrophobicContact CD2-CG2 3.62Å; F220-T224 VanDerWaalsContact CE1-OG1 3.28Å; F220-T224 WeakPolarHBondContact CE1-OG1 3.25Å; F220-T224 HydrophobicContact CE2-CG2 3.52Å; F220-T224 HydrophobicContact CG-CG2 4.22Å; F220-T224 HydrophobicContact CZ-CG2 4.05Å; F220-T224 WeakPolarHBondContact CZ-OG1 3.49Å; F220-T224 PolarHBondContact O-N 2.87Å; F220-T224 PolarHBondContact O-OG1 3.23Å; F220-T224 VanDerWaalsContact O-OG1 3.07Å; F220-R226 HydrophobicContact CE1-CB 4.45Å; F220-I250 HydrophobicContact CZ-CD1 4.1Å
221	A	86.2	Confident	87.5	Confident	13 Å²	13	56 Å²	56	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-16.3	-178.1	0	0	0	0	0	116.1	A215 A218 R219 R226	A215-A221 WeakPolarHBondContact O-CB 3.46Å; A218-A221 HydrophobicContact CB-CB 4.16Å; A218-A221 WeakPolarHBondContact O-CB 3.49Å; A218-A221 PolarHBondContact O-N 3.44Å; R219-A221 VanDerWaalsContact C-N 3.28Å; R219-A221 PolarHBondContact O-N 3.38Å; A221-R226 VanDerWaalsContact CA-NH1 3.34Å; A221-R226 PolarHBondContact O-NH1 2.8Å
222	S	85.8	Confident	87.3	Confident	87 Å²	87	58.3 Å²	58.3	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-109.2	-7.4	178.3	46.9	0	0	0	0	113.6	A218 R219 F220	A218-S222 PolarHBondContact O-N 2.76Å; A218-S222 PolarHBondContact O-OG 3.14Å; A218-S222 VanDerWaalsContact O-OG 3.05Å; R219-S222 PolarHBondContact O-N 3.49Å; R219-S222 VanDerWaalsContact O-N 3.13Å; R219-S222 PolarHBondContact O-OG 3.31Å; R219-S222 VanDerWaalsContact O-OG 3.09Å; F220-S222 PolarHBondContact O-N 3.25Å; F220-S222 VanDerWaalsContact O-N 3.09Å
223	Q	87.5	Confident	87.1	Confident	98 Å²	98	64.5 Å²	64.5	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-124.8	-1.7	-174.9	-59.5	-174.1	-50.3	0	0	113.7	L176 K179 R219 F220	L176-Q223 HydrophobicContact CD2-CB 3.81Å; K179-Q223 PolarHBondContact NZ-O 3.03Å; R219-Q223 WeakPolarHBondContact O-CB 3.14Å; R219-Q223 WeakPolarHBondContact O-CG 3.38Å; R219-Q223 PolarHBondContact O-N 3.11Å; F220-Q223 PolarHBondContact O-N 2.83Å; F220-Q223 VanDerWaalsContact O-N 3.13Å
224	T	87.4	Confident	86.8	Confident	11 Å²	11	68 Å²	68	7%	0.067	35%	0.348	C	S	.	.	S	Bend	trans	-129.5	145.4	174.2	74.1	0	0	0	0	112.1	L176 K179 F192 F220 R226	L176-T224 HydrophobicContact CD2-CG2 4.31Å; K179-T224 HydrophobicContact CD-CG2 3.7Å; F192-T224 HydrophobicContact CE2-CG2 4.24Å; F220-T224 HydrophobicContact CD2-CG2 3.62Å; F220-T224 VanDerWaalsContact CE1-OG1 3.28Å; F220-T224 WeakPolarHBondContact CE1-OG1 3.25Å; F220-T224 HydrophobicContact CE2-CG2 3.52Å; F220-T224 HydrophobicContact CG-CG2 4.22Å; F220-T224 HydrophobicContact CZ-CG2 4.05Å; F220-T224 WeakPolarHBondContact CZ-OG1 3.49Å; F220-T224 PolarHBondContact O-N 2.87Å; F220-T224 PolarHBondContact O-OG1 3.23Å; F220-T224 VanDerWaalsContact O-OG1 3.07Å; T224-R226 PolarHBondContact O-N 2.9Å
225	Q	89.6	Confident	86.7	Confident	102 Å²	102	66.7 Å²	66.7	48%	0.477	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.1	170.7	-60	-172.3	42	0	0	107.4	E190 K191 F192	E190-Q225 PolarHBondContact O-N 3.25Å; E190-Q225 PolarHBondContact OE2-NE2 3.32Å; K191-Q225 CarbonylContact C-O 3.59Å; K191-Q225 VanDerWaalsContact CA-O 3.22Å; K191-Q225 WeakPolarHBondContact CA-O 3.44Å; K191-Q225 HydrophobicContact CB-CB 4.5Å; K191-Q225 HydrophobicContact CG-CB 3.91Å; F192-Q225 PolarHBondContact N-O 3.05Å
226	R	91.5	Very high	86.7	Confident	64 Å²	64	67.2 Å²	67.2	24%	0.242	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.2	-176.8	80.1	-158.5	179.6	-64.5	-7.7	113.8	F192 V194 L213 E214 F220 A221 T224	F192-R226 CarbonylContact O-C 3.53Å; F192-R226 WeakPolarHBondContact O-CA 3.38Å; V194-R226 HydrophobicContact CG2-CB 4.41Å; L213-R226 VanDerWaalsContact O-CD 3.29Å; L213-R226 WeakPolarHBondContact O-CD 3.34Å; L213-R226 PolarHBondContact O-NE 2.92Å; E214-R226 PolarHBondContact O-NH2 2.8Å; F220-R226 HydrophobicContact CE1-CB 4.45Å; A221-R226 VanDerWaalsContact CA-NH1 3.34Å; A221-R226 PolarHBondContact O-NH1 2.8Å; T224-R226 PolarHBondContact O-N 2.9Å
227	V	93.3	Very high	87.1	Confident	55 Å²	55	65.8 Å²	65.8	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.1	174.7	-178.2	0	0	0	0	109.1	F192 Y193 V194 N245	F192-V227 PolarHBondContact O-N 3.12Å; Y193-V227 WeakPolarHBondContact CA-O 3.36Å; Y193-V227 HydrophobicContact CD1-CB 3.66Å; Y193-V227 HydrophobicContact CD1-CG1 3.93Å; Y193-V227 HydrophobicContact CE1-CB 3.74Å; Y193-V227 HydrophobicContact CE1-CG1 3.74Å; Y193-V227 HydrophobicContact CE1-CG2 4.33Å; V194-V227 PolarHBondContact N-O 2.95Å; V227-N245 HydrophobicContact CG2-CB 4.36Å
228	M	93.6	Very high	87.7	Confident	48 Å²	48	61.4 Å²	61.4	24%	0.236	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.7	176.8	-59.9	-55.2	-50.9	0	0	110.4	V194 K196 E214	V194-M228 HydrophobicContact CB-CE 3.86Å; V194-M228 HydrophobicContact CB-SD 3.83Å; V194-M228 HydrophobicContact CG1-CE 3.7Å; V194-M228 HydrophobicContact CG1-SD 4.18Å; V194-M228 HydrophobicContact CG2-SD 4.47Å; V194-M228 WeakPolarHBondContact O-CA 3.23Å; K196-M228 HydrophobicContact CB-CE 4.16Å; E214-M228 HydrophobicContact CB-CE 3.7Å; E214-M228 HydrophobicContact CB-SD 3.87Å; E214-M228 HydrophobicContact CG-CE 3.88Å; E214-M228 HydrophobicContact CG-CG 4.03Å; E214-M228 HydrophobicContact CG-SD 3.9Å
229	V	91.4	Very high	87.9	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.3	176.4	-172	0	0	0	0	108.3	Y193 V194 Y195 K196 D234 L235 I238	Y193-V229 HydrophobicContact CD1-CG2 3.57Å; Y193-V229 HydrophobicContact CE1-CG2 4.3Å; Y193-V229 HydrophobicContact CG-CG2 4.32Å; V194-V229 PolarHBondContact O-N 2.72Å; Y195-V229 WeakPolarHBondContact CA-O 3.29Å; Y195-V229 HydrophobicContact CD2-CB 4.1Å; Y195-V229 HydrophobicContact CD2-CG1 4.01Å; Y195-V229 WeakPolarHBondContact CD2-O 3.28Å; K196-V229 PolarHBondContact N-O 2.73Å; V229-D234 HydrophobicContact CG1-CB 3.88Å; V229-L235 HydrophobicContact CG1-CB 4.05Å; V229-L235 HydrophobicContact CG1-CD1 4.3Å; V229-I238 HydrophobicContact CG1-CD1 4.18Å; V229-I238 HydrophobicContact CG2-CD1 3.55Å
230	R	89.8	Confident	87.7	Confident	142 Å²	142	60 Å²	60	54%	0.536	29%	0.29	S	S	.	.			trans	-124.1	-16.8	-173.5	-66.6	-178.6	178.7	177.4	-0.4	115	K196 E214	K196-R230 HydrophobicContact CB-CG 4.46Å; E214-R230 IonicContact OE1-CZ 2.75Å; E214-R230 IonicContact OE1-NE 2.8Å; E214-R230 PolarHBondContact OE1-NE 2.91Å; E214-R230 IonicContact OE1-NH2 2.62Å; E214-R230 PolarHBondContact OE1-NH2 3.34Å; E214-R230 IonicContact OE2-NH2 2.8Å
231	E	87.2	Confident	87.3	Confident	109 Å²	109	62.9 Å²	62.9	51%	0.509	31%	0.307	S	S	.	.	S	Bend	trans	-107.9	138.5	174.6	-62	-165	-170.5	0	0	110.5	K233 D234 L235	E231-K233 PolarHBondContact O-N 3.31Å; E231-D234 PolarHBondContact O-N 3.25Å; E231-D234 VanDerWaalsContact O-N 3.12Å; E231-L235 PolarHBondContact O-N 3.08Å
232	K	84.1	Confident	86.8	Confident	74 Å²	74	65 Å²	65	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-56.3	-34.3	174.4	-165.6	-172.1	-174.8	-170	0	111.2	L235 Q236 L260 D264	K232-L235 WeakPolarHBondContact O-CB 3.4Å; K232-L235 PolarHBondContact O-N 2.92Å; K232-Q236 VanDerWaalsContact O-CG 3.24Å; K232-Q236 WeakPolarHBondContact O-CG 3.48Å; K232-Q236 PolarHBondContact O-N 2.86Å; K232-L260 WeakPolarHBondContact CE-O 3.23Å; K232-L260 PolarHBondContact NZ-O 3.13Å; K232-D264 WeakPolarHBondContact CE-OD2 3.08Å; K232-D264 VanDerWaalsContact NZ-CG 3.29Å; K232-D264 IonicContact NZ-OD1 2.64Å; K232-D264 PolarHBondContact NZ-OD1 3.47Å; K232-D264 IonicContact NZ-OD2 2.9Å; K232-D264 PolarHBondContact NZ-OD2 2.8Å
233	K	85.2	Confident	86.4	Confident	134 Å²	134	67.8 Å²	67.8	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-64.6	-39.5	178.2	-167.4	-177	-178.5	-174.8	0	113.1	E231 Q236 N237	E231-K233 PolarHBondContact O-N 3.31Å; K233-Q236 WeakPolarHBondContact O-CB 3.08Å; K233-Q236 PolarHBondContact O-N 3.37Å; K233-N237 PolarHBondContact O-N 3.19Å; K233-N237 PolarHBondContact O-ND2 3.29Å; K233-N237 VanDerWaalsContact O-ND2 3.16Å
234	D	87.1	Confident	86.3	Confident	74 Å²	74	63.9 Å²	63.9	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-69.5	-39.2	176.9	-69.1	-27	0	0	0	111	V229 E231 Q236 N237 I238	V229-D234 HydrophobicContact CG1-CB 3.88Å; E231-D234 PolarHBondContact O-N 3.25Å; E231-D234 VanDerWaalsContact O-N 3.12Å; D234-Q236 VanDerWaalsContact C-N 3.32Å; D234-Q236 PolarHBondContact O-N 3.37Å; D234-N237 WeakPolarHBondContact O-CB 3.08Å; D234-N237 PolarHBondContact O-N 3.01Å; D234-I238 WeakPolarHBondContact O-CD1 3.45Å; D234-I238 VanDerWaalsContact O-CG1 3.28Å; D234-I238 WeakPolarHBondContact O-CG1 3.49Å; D234-I238 PolarHBondContact O-N 2.93Å
235	L	87.8	Confident	86.2	Confident	1 Å²	1	68 Å²	68	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-43.9	172.1	-165.7	68.5	0	0	0	111.3	Y195 V229 E231 K232 N237 I238 M239 I249 I261	Y195-L235 HydrophobicContact CD1-CD2 4.09Å; Y195-L235 HydrophobicContact CD2-CB 4.36Å; Y195-L235 HydrophobicContact CD2-CD1 4.24Å; Y195-L235 HydrophobicContact CD2-CD2 3.93Å; Y195-L235 HydrophobicContact CD2-CG 4.42Å; Y195-L235 HydrophobicContact CE1-CD2 4.22Å; Y195-L235 HydrophobicContact CE2-CB 4.38Å; Y195-L235 HydrophobicContact CE2-CD2 4.08Å; Y195-L235 HydrophobicContact CG-CD1 4.35Å; Y195-L235 HydrophobicContact CG-CD2 3.94Å; V229-L235 HydrophobicContact CG1-CB 4.05Å; V229-L235 HydrophobicContact CG1-CD1 4.3Å; E231-L235 PolarHBondContact O-N 3.08Å; K232-L235 WeakPolarHBondContact O-CB 3.4Å; K232-L235 PolarHBondContact O-N 2.92Å; L235-N237 PolarHBondContact O-N 3.02Å; L235-I238 PolarHBondContact O-N 3Å; L235-M239 HydrophobicContact CG-CE 4.17Å; L235-M239 WeakPolarHBondContact O-CE 3.43Å; L235-M239 WeakPolarHBondContact O-CG 3.35Å; L235-M239 PolarHBondContact O-N 2.78Å; L235-I249 HydrophobicContact CD1-CD1 4.31Å; L235-I249 HydrophobicContact CD1-CG2 3.79Å; L235-I261 HydrophobicContact CD2-CD1 3.98Å; L235-I261 HydrophobicContact CD2-CG1 4.22Å; L235-I261 HydrophobicContact CD2-CG2 3.82Å
236	Q	85.4	Confident	86.3	Confident	37 Å²	37	63.2 Å²	63.2	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-40	174.2	-72.3	164.2	-16.1	0	0	112.8	K232 K233 D234 M239 K240 D264 V265	K232-Q236 VanDerWaalsContact O-CG 3.24Å; K232-Q236 WeakPolarHBondContact O-CG 3.48Å; K232-Q236 PolarHBondContact O-N 2.86Å; K233-Q236 WeakPolarHBondContact O-CB 3.08Å; K233-Q236 PolarHBondContact O-N 3.37Å; D234-Q236 VanDerWaalsContact C-N 3.32Å; D234-Q236 PolarHBondContact O-N 3.37Å; Q236-M239 HydrophobicContact CG-CE 4.17Å; Q236-K240 WeakPolarHBondContact O-CG 2.96Å; Q236-K240 PolarHBondContact O-N 3.05Å; Q236-D264 PolarHBondContact NE2-OD2 3.44Å; Q236-V265 HydrophobicContact CB-CG2 4.41Å; Q236-V265 HydrophobicContact CG-CG2 3.89Å
237	N	85.3	Confident	86.3	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-42	175.1	-66.3	-32.6	0	0	0	111.8	K233 D234 L235 K240 T241	K233-N237 PolarHBondContact O-N 3.19Å; K233-N237 PolarHBondContact O-ND2 3.29Å; K233-N237 VanDerWaalsContact O-ND2 3.16Å; D234-N237 WeakPolarHBondContact O-CB 3.08Å; D234-N237 PolarHBondContact O-N 3.01Å; L235-N237 PolarHBondContact O-N 3.02Å; N237-K240 PolarHBondContact O-N 2.62Å; N237-T241 VanDerWaalsContact O-CB 3.29Å; N237-T241 WeakPolarHBondContact O-CB 3.32Å; N237-T241 PolarHBondContact O-N 2.94Å; N237-T241 PolarHBondContact O-OG1 3.01Å
238	I	87.4	Confident	86.3	Confident	22 Å²	22	57.8 Å²	57.8	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-48	179	-69.6	159	0	0	0	110.9	Y193 V229 D234 L235 K240 T241 I249	Y193-I238 HydrophobicContact CD1-CD1 3.74Å; Y193-I238 HydrophobicContact CD2-CG2 3.85Å; Y193-I238 HydrophobicContact CE1-CD1 3.45Å; Y193-I238 VanDerWaalsContact CE1-CD1 3.45Å; Y193-I238 HydrophobicContact CE1-CG1 4.03Å; Y193-I238 HydrophobicContact CE1-CG2 4.44Å; Y193-I238 HydrophobicContact CE2-CD1 4.47Å; Y193-I238 HydrophobicContact CE2-CG1 4.46Å; Y193-I238 HydrophobicContact CE2-CG2 3.5Å; Y193-I238 VanDerWaalsContact CE2-CG2 3.5Å; Y193-I238 HydrophobicContact CG-CD1 4.37Å; Y193-I238 HydrophobicContact CG-CG2 4.44Å; V229-I238 HydrophobicContact CG1-CD1 4.18Å; V229-I238 HydrophobicContact CG2-CD1 3.55Å; D234-I238 WeakPolarHBondContact O-CD1 3.45Å; D234-I238 VanDerWaalsContact O-CG1 3.28Å; D234-I238 WeakPolarHBondContact O-CG1 3.49Å; D234-I238 PolarHBondContact O-N 2.93Å; L235-I238 PolarHBondContact O-N 3Å; I238-K240 PolarHBondContact O-N 2.97Å; I238-T241 PolarHBondContact O-N 2.81Å; I238-I249 HydrophobicContact CG2-CD1 4.3Å
239	M	85.6	Confident	86.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-27.5	179.5	-68.3	-178	-69.4	0	0	113.8	L235 Q236 I249 I261 V265 I268 H269 F274	L235-M239 HydrophobicContact CG-CE 4.17Å; L235-M239 WeakPolarHBondContact O-CE 3.43Å; L235-M239 WeakPolarHBondContact O-CG 3.35Å; L235-M239 PolarHBondContact O-N 2.78Å; Q236-M239 HydrophobicContact CG-CE 4.17Å; M239-I249 HydrophobicContact CG-CD1 4.1Å; M239-I261 HydrophobicContact CE-CG2 3.6Å; M239-I261 HydrophobicContact SD-CG2 3.86Å; M239-V265 HydrophobicContact CE-CG2 3.74Å; M239-I268 HydrophobicContact CB-CG2 4.44Å; M239-H269 PolarHBondContact O-N 3.11Å; M239-F274 HydrophobicContact CG-CE1 4.35Å; M239-F274 HydrophobicContact CG-CZ 4Å; M239-F274 HydrophobicContact SD-CE1 3.75Å; M239-F274 HydrophobicContact SD-CZ 3.47Å; M239-F274 WeakPolarHBondContact SD-CZ 3.41Å
240	K	82	Confident	86.6	Confident	101 Å²	101	55.3 Å²	55.3	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-92.1	-7.3	179.5	-67.1	-172	-177.1	-171.6	0	114.4	Q236 N237 I238 V265 D266	Q236-K240 WeakPolarHBondContact O-CG 2.96Å; Q236-K240 PolarHBondContact O-N 3.05Å; N237-K240 PolarHBondContact O-N 2.62Å; I238-K240 PolarHBondContact O-N 2.97Å; K240-V265 HydrophobicContact CG-CG1 4.11Å; K240-D266 IonicContact NZ-OD2 3.78Å; K240-D266 PolarHBondContact NZ-OD2 3.15Å
241	T	81.1	Confident	86.7	Confident	60 Å²	60	48.6 Å²	48.6	37%	0.368	24%	0.239	S	C	.	.			trans	-111.6	127.5	-168.2	-58.5	0	0	0	0	113.1	N237 I238 K243 R244	N237-T241 VanDerWaalsContact O-CB 3.29Å; N237-T241 WeakPolarHBondContact O-CB 3.32Å; N237-T241 PolarHBondContact O-N 2.94Å; N237-T241 PolarHBondContact O-OG1 3.01Å; I238-T241 PolarHBondContact O-N 2.81Å; T241-K243 HydrophobicContact CG2-CB 4.41Å; T241-R244 PolarHBondContact O-NH1 2.72Å; T241-R244 VanDerWaalsContact O-NH1 3.14Å
242	S	73.8	Confident	86.9	Confident	58 Å²	58	44.1 Å²	44.1	41%	0.406	22%	0.219	S	C	.	.	S	Bend	trans	-70	-38.1	174.2	-52.6	0	0	0	0	112.9	R244 H269	S242-R244 PolarHBondContact O-N 3.32Å; S242-H269 PolarHBondContact OG-NE2 3.16Å; S242-H269 VanDerWaalsContact OG-NE2 3.17Å
243	K	78.9	Confident	87.1	Confident	145 Å²	145	41 Å²	41	63%	0.63	21%	0.208	S	C	*	.	S	Bend	trans	-81.6	65.3	172.4	-70.1	-173.1	174.3	179.3	0	111.3	T241 E431	T241-K243 HydrophobicContact CG2-CB 4.41Å; K243-E431 IonicContact NZ-OE1 3.67Å; K243-E431 PolarHBondContact NZ-OE1 3.32Å
244	R	84.5	Confident	87.3	Confident	16 Å²	16	35.9 Å²	35.9	6%	0.06	19%	0.194	C	C	.	.			trans	-98.1	168.7	172.5	60.9	-171.6	174.6	-89.4	-1.4	111.1	Y193 T241 S242 S246 N247 H269 D271 P427	Y193-R244 HydrophobicContact CE2-CB 4.3Å; T241-R244 PolarHBondContact O-NH1 2.72Å; T241-R244 VanDerWaalsContact O-NH1 3.14Å; S242-R244 PolarHBondContact O-N 3.32Å; R244-S246 VanDerWaalsContact CD-O 3.29Å; R244-S246 WeakPolarHBondContact CD-O 3.35Å; R244-S246 WeakPolarHBondContact CG-O 3.31Å; R244-N247 PolarHBondContact NE-OD1 2.92Å; R244-N247 PolarHBondContact NH2-OD1 3.41Å; R244-H269 PolarHBondContact NH1-CD2 2.83Å; R244-H269 PolarHBondContact NH1-ND1 2.81Å; R244-H269 PolarHBondContact NH1-NE2 3.14Å; R244-H269 PolarHBondContact NH2-ND1 3.4Å; R244-H269 VanDerWaalsContact NH2-ND1 3.13Å; R244-D271 IonicContact NH2-OD2 3.83Å; R244-P427 HydrophobicContact CG-CB 4Å; R244-P427 HydrophobicContact CG-CG 3.94Å; R244-P427 WeakPolarHBondContact O-CG 3.41Å
245	N	85.8	Confident	87.3	Confident	96 Å²	96	33.1 Å²	33.1	51%	0.513	18%	0.18	S	C	.	.	S	Bend	trans	-90.7	-20.9	179.6	-69.2	26.7	0	0	0	113.6	K191 Y193 V227	K191-N245 WeakPolarHBondContact CD-O 3.35Å; Y193-N245 HydrophobicContact CE2-CB 4.33Å; Y193-N245 WeakPolarHBondContact OH-CB 3.33Å; Y193-N245 PolarHBondContact OH-N 3.46Å; V227-N245 HydrophobicContact CG2-CB 4.36Å
246	S	91.8	Very high	87.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.014	21%	0.213	C	C	.	.			trans	-157	153	179.6	171.3	0	0	0	0	109.9	K191 Y193 R244 I248 D425	K191-S246 WeakPolarHBondContact O-CB 3.42Å; K191-S246 PolarHBondContact O-OG 2.61Å; Y193-S246 VanDerWaalsContact CE2-O 3.3Å; Y193-S246 WeakPolarHBondContact CE2-O 2.95Å; R244-S246 VanDerWaalsContact CD-O 3.29Å; R244-S246 WeakPolarHBondContact CD-O 3.35Å; R244-S246 WeakPolarHBondContact CG-O 3.31Å; S246-I248 PolarHBondContact OG-N 2.67Å; S246-I248 PolarHBondContact OG-O 3.48Å; S246-D425 CarbonylContact C-O 3.55Å; S246-D425 WeakPolarHBondContact CA-O 3.17Å
247	N	91.6	Very high	87.2	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.027	21%	0.214	C	C	.	.	S	Bend	trans	-80.7	-17.5	169	-69.7	-22.8	0	0	0	113.5	R244 D271 T272 L273 D424 D425 E426 P427	R244-N247 PolarHBondContact NE-OD1 2.92Å; R244-N247 PolarHBondContact NH2-OD1 3.41Å; N247-D271 WeakPolarHBondContact CB-O 3.46Å; N247-T272 WeakPolarHBondContact O-CA 3.29Å; N247-L273 PolarHBondContact O-N 3.02Å; N247-D424 VanDerWaalsContact CB-O 3.29Å; N247-D424 WeakPolarHBondContact CB-O 3.43Å; N247-D424 PolarHBondContact ND2-O 2.99Å; N247-D425 PolarHBondContact N-O 3.28Å; N247-E426 PolarHBondContact ND2-O 3.03Å; N247-P427 WeakPolarHBondContact OD1-CA 3.39Å; N247-P427 WeakPolarHBondContact OD1-CB 3.45Å
248	I	93.9	Very high	87.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.2	-164.8	-50.6	172.5	0	0	0	110.4	W189 F192 Y193 S246 L273 I275 D425	W189-I248 HydrophobicContact CB-CD1 4.2Å; W189-I248 HydrophobicContact CD2-CD1 3.26Å; W189-I248 VanDerWaalsContact CE2-CD1 3.4Å; W189-I248 HydrophobicContact CE3-CD1 3.62Å; W189-I248 HydrophobicContact CG-CD1 3.56Å; W189-I248 HydrophobicContact CH2-CD1 4.19Å; W189-I248 HydrophobicContact CZ2-CD1 3.88Å; W189-I248 HydrophobicContact CZ3-CD1 4.06Å; F192-I248 HydrophobicContact CD1-CB 4.09Å; F192-I248 HydrophobicContact CD1-CD1 4.37Å; F192-I248 HydrophobicContact CD1-CG2 3.8Å; F192-I248 HydrophobicContact CE1-CD1 4.02Å; F192-I248 HydrophobicContact CE1-CG2 4.12Å; Y193-I248 PolarHBondContact N-O 2.65Å; S246-I248 PolarHBondContact OG-N 2.67Å; S246-I248 PolarHBondContact OG-O 3.48Å; I248-L273 WeakPolarHBondContact CA-O 3.48Å; I248-I275 HydrophobicContact CG2-CD1 3.74Å; I248-I275 HydrophobicContact CG2-CG1 4.05Å; I248-D425 HydrophobicContact CD1-CB 3.63Å; I248-D425 HydrophobicContact CG1-CB 4.3Å
249	I	94.6	Very high	87.4	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109	-176	-58.2	178	0	0	0	109.3	Y193 L235 I238 M239 L251 T272 L273 F274 I275	Y193-I249 HydrophobicContact CD2-CG1 4.45Å; L235-I249 HydrophobicContact CD1-CD1 4.31Å; L235-I249 HydrophobicContact CD1-CG2 3.79Å; I238-I249 HydrophobicContact CG2-CD1 4.3Å; M239-I249 HydrophobicContact CG-CD1 4.1Å; I249-L251 HydrophobicContact CG2-CD2 4.4Å; I249-T272 HydrophobicContact CD1-CG2 3.81Å; I249-T272 HydrophobicContact CG1-CG2 4.46Å; I249-L273 PolarHBondContact N-O 2.75Å; I249-F274 HydrophobicContact CB-CD1 4Å; I249-F274 HydrophobicContact CB-CE1 4.28Å; I249-F274 HydrophobicContact CD1-CD1 4.35Å; I249-F274 HydrophobicContact CD1-CE1 3.75Å; I249-F274 HydrophobicContact CD1-CZ 4.23Å; I249-F274 HydrophobicContact CG2-CD1 4.04Å; I249-F274 HydrophobicContact CG2-CE1 4.26Å; I249-F274 CarbonylContact O-C 3.58Å; I249-F274 WeakPolarHBondContact O-CA 2.97Å; I249-I275 PolarHBondContact O-N 2.61Å
250	I	95.1	Very high	87.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.3	174.3	-51.7	175	0	0	0	109.6	F175 F192 Y193 V194 Y195 L213 F220 I275 L277	F175-I250 HydrophobicContact CD1-CD1 4.1Å; F175-I250 HydrophobicContact CE1-CD1 3.78Å; F175-I250 HydrophobicContact CE1-CG1 4.29Å; F175-I250 HydrophobicContact CE2-CG2 4.31Å; F175-I250 HydrophobicContact CZ-CD1 4.04Å; F175-I250 HydrophobicContact CZ-CG1 4.43Å; F175-I250 HydrophobicContact CZ-CG2 3.83Å; F192-I250 HydrophobicContact CB-CD1 4.38Å; F192-I250 HydrophobicContact CD1-CD1 3.95Å; F192-I250 HydrophobicContact CD1-CG1 4.39Å; F192-I250 HydrophobicContact CG-CD1 4.33Å; Y193-I250 PolarHBondContact O-N 2.81Å; V194-I250 HydrophobicContact CG2-CD1 4.46Å; Y195-I250 PolarHBondContact N-O 2.94Å; L213-I250 HydrophobicContact CD1-CD1 4.36Å; L213-I250 HydrophobicContact CD1-CG2 3.84Å; F220-I250 HydrophobicContact CZ-CD1 4.1Å; I250-I275 WeakPolarHBondContact CA-O 3.43Å; I250-I275 HydrophobicContact CG1-CB 4.33Å; I250-I275 HydrophobicContact CG1-CD1 4.47Å; I250-L277 HydrophobicContact CG2-CD1 4.13Å
251	L	93.3	Very high	87.6	Confident	2 Å²	2	38 Å²	38	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	173.1	169.9	66.3	144.7	0	0	0	111.4	Y195 I249 I258 I261 F274 I275 L276 L277	Y195-L251 HydrophobicContact CD1-CB 4.25Å; I249-L251 HydrophobicContact CG2-CD2 4.4Å; L251-I258 HydrophobicContact CD1-CD1 3.95Å; L251-I258 HydrophobicContact CD2-CD1 4.02Å; L251-I258 HydrophobicContact CG-CD1 4.47Å; L251-I261 HydrophobicContact CD1-CD1 3.89Å; L251-F274 HydrophobicContact CD2-CB 4.24Å; L251-F274 HydrophobicContact CD2-CD1 3.99Å; L251-I275 PolarHBondContact N-O 3.28Å; L251-L276 HydrophobicContact CD1-CD1 3.73Å; L251-L276 HydrophobicContact CG-CD1 3.82Å; L251-L277 PolarHBondContact O-N 3.12Å
252	C	91.3	Very high	87.9	Confident	14 Å²	14	36.3 Å²	36.3	10%	0.095	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.4	177.7	-166.5	0	0	0	0	110	C206 I210 L277	C206-C252 WeakPolarHBondContact CA-SG 3.21Å; C206-C252 HydrophobicContact CB-CB 3.64Å; C206-C252 WeakPolarHBondContact CB-SG 3.42Å; C206-C252 WeakPolarHBondContact SG-CB 3.39Å; C206-C252 CovalentContact SG-SG 2.04Å; C206-C252 PolarHBondContact SG-SG 3.27Å; I210-C252 HydrophobicContact CD1-CB 3.91Å; I210-C252 HydrophobicContact CG1-CB 3.79Å; C252-L277 WeakPolarHBondContact CA-O 3.12Å; C252-L277 HydrophobicContact CB-CB 3.78Å; C252-L277 HydrophobicContact CB-CD1 4.22Å; C252-L277 VanDerWaalsContact SG-CB 3.52Å; C252-L277 PolarHBondContact SG-O 3.27Å
253	G	88.8	Confident	88.3	Confident	8 Å²	8	37.2 Å²	37.2	8%	0.082	20%	0.203	C	C	.	.	S	Bend	trans	149.5	177.1	-174.7	0	0	0	0	0	111.1	C206 L276 L277	C206-G253 PolarHBondContact SG-N 3.14Å; C206-G253 VanDerWaalsContact SG-N 3.35Å; G253-L276 WeakPolarHBondContact O-CD1 3.01Å; G253-L277 PolarHBondContact N-O 3.38Å
254	G	87.6	Confident	88	Confident	28 Å²	28	34 Å²	34	29%	0.289	19%	0.193	S	C	.	.			trans	-73.3	168	177.7	0	0	0	0	0	113.4	E256 E257	G254-E256 VanDerWaalsContact C-N 3.26Å; G254-E256 PolarHBondContact O-N 2.88Å; G254-E257 WeakPolarHBondContact O-CB 3.32Å; G254-E257 PolarHBondContact O-N 3.27Å
255	P	87.8	Confident	87.7	Confident	16 Å²	16	34 Å²	34	10%	0.104	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-31.9	-178	25.9	-33.9	0	0	0	112.3	E257 I258 S259 D278 Y284 W293 M294	P255-E257 PolarHBondContact O-N 3.03Å; P255-I258 WeakPolarHBondContact O-CB 3.13Å; P255-I258 PolarHBondContact O-N 2.99Å; P255-S259 PolarHBondContact O-N 3.32Å; P255-D278 WeakPolarHBondContact CD-OD2 3.32Å; P255-Y284 WeakPolarHBondContact CD-OH 3.14Å; P255-W293 HydrophobicContact CB-CH2 3.87Å; P255-W293 HydrophobicContact CB-CZ3 3.85Å; P255-W293 WeakPolarHBondContact O-CH2 2.98Å; P255-W293 WeakPolarHBondContact O-CZ3 3.31Å; P255-M294 HydrophobicContact CB-CE 4.45Å; P255-M294 HydrophobicContact CB-SD 4.27Å
256	E	86.4	Confident	87	Confident	149 Å²	149	36.5 Å²	36.5	70%	0.696	21%	0.208	S	C	*	.	H	α-helix	trans	-52.8	-28.5	173	-63.7	-165.2	151.6	0	0	113.6	G254 I258 S259 L260	G254-E256 VanDerWaalsContact C-N 3.26Å; G254-E256 PolarHBondContact O-N 2.88Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-S259 WeakPolarHBondContact O-CB 3.3Å; E256-S259 PolarHBondContact O-N 3.49Å; E256-L260 WeakPolarHBondContact O-CG 3.24Å; E256-L260 PolarHBondContact O-N 2.71Å
257	E	84.6	Confident	86.3	Confident	41 Å²	41	43.9 Å²	43.9	19%	0.192	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-32.8	176.7	-59.9	-155.8	-152.8	0	0	112.5	K197 G254 P255 L260 I261	K197-E257 VanDerWaalsContact CE-OE2 3.22Å; K197-E257 WeakPolarHBondContact CE-OE2 3.47Å; K197-E257 IonicContact NZ-OE1 2.72Å; K197-E257 PolarHBondContact NZ-OE1 2.73Å; K197-E257 IonicContact NZ-OE2 3.74Å; K197-E257 PolarHBondContact NZ-OE2 2.8Å; G254-E257 WeakPolarHBondContact O-CB 3.32Å; G254-E257 PolarHBondContact O-N 3.27Å; P255-E257 PolarHBondContact O-N 3.03Å; E257-L260 PolarHBondContact O-N 2.93Å; E257-I261 WeakPolarHBondContact O-CB 3.34Å; E257-I261 WeakPolarHBondContact O-CD1 3.16Å; E257-I261 WeakPolarHBondContact O-CG1 3.29Å; E257-I261 PolarHBondContact O-N 3.03Å
258	I	89	Confident	86	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-46.4	170.9	-60.2	-67	0	0	0	109.7	L251 P255 E256 L260 I261 K262 F274 L276 W293 M294 V297	L251-I258 HydrophobicContact CD1-CD1 3.95Å; L251-I258 HydrophobicContact CD2-CD1 4.02Å; L251-I258 HydrophobicContact CG-CD1 4.47Å; P255-I258 WeakPolarHBondContact O-CB 3.13Å; P255-I258 PolarHBondContact O-N 2.99Å; E256-I258 VanDerWaalsContact C-N 3.35Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 2.74Å; I258-I261 PolarHBondContact O-N 2.68Å; I258-I261 VanDerWaalsContact O-N 3.1Å; I258-K262 HydrophobicContact CG2-CD 3.87Å; I258-K262 HydrophobicContact CG2-CG 4.14Å; I258-K262 WeakPolarHBondContact O-CB 2.87Å; I258-K262 WeakPolarHBondContact O-CG 3.3Å; I258-K262 PolarHBondContact O-N 3.43Å; I258-F274 HydrophobicContact CD1-CB 4.26Å; I258-F274 HydrophobicContact CD1-CG 4.46Å; I258-L276 HydrophobicContact CD1-CD1 4.28Å; I258-L276 HydrophobicContact CG1-CD1 4.38Å; I258-L276 HydrophobicContact CG1-CD2 4.1Å; I258-W293 HydrophobicContact CB-CE3 3.95Å; I258-W293 HydrophobicContact CB-CZ3 4.11Å; I258-W293 HydrophobicContact CG2-CE3 3.88Å; I258-M294 HydrophobicContact CB-SD 4.21Å; I258-M294 HydrophobicContact CG1-SD 4.07Å; I258-M294 HydrophobicContact CG2-SD 4.32Å; I258-V297 HydrophobicContact CD1-CG1 4.37Å; I258-V297 HydrophobicContact CD1-CG2 4.26Å; I258-V297 HydrophobicContact CG1-CG1 4.46Å; I258-V297 HydrophobicContact CG1-CG2 4.29Å; I258-V297 HydrophobicContact CG2-CG2 3.92Å
259	S	88.3	Confident	85.5	Confident	44 Å²	44	47.6 Å²	47.6	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-55.9	-48.6	176.7	-170.9	0	0	0	0	111.1	P255 E256 I261 K262 S263	P255-S259 PolarHBondContact O-N 3.32Å; E256-S259 WeakPolarHBondContact O-CB 3.3Å; E256-S259 PolarHBondContact O-N 3.49Å; S259-I261 VanDerWaalsContact C-N 3.3Å; S259-I261 PolarHBondContact O-N 3.13Å; S259-K262 PolarHBondContact O-N 2.73Å; S259-S263 VanDerWaalsContact O-CB 3.3Å; S259-S263 WeakPolarHBondContact O-CB 3.26Å; S259-S263 PolarHBondContact O-N 3.33Å; S259-S263 PolarHBondContact O-OG 3.45Å
260	L	86	Confident	84.9	Confident	105 Å²	105	51.9 Å²	51.9	55%	0.55	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-19.9	177	-70	169.8	0	0	0	114.6	K232 E256 E257 I258 S263	K232-L260 WeakPolarHBondContact CE-O 3.23Å; K232-L260 PolarHBondContact NZ-O 3.13Å; E256-L260 WeakPolarHBondContact O-CG 3.24Å; E256-L260 PolarHBondContact O-N 2.71Å; E257-L260 PolarHBondContact O-N 2.93Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 2.74Å; L260-S263 PolarHBondContact O-OG 3.36Å
261	I	86.1	Confident	84.6	Confident	8 Å²	8	53 Å²	53	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-84.6	-41.2	174.4	-74.6	164.5	0	0	0	110.4	Y195 L235 M239 L251 E257 I258 S259	Y195-I261 HydrophobicContact CE1-CD1 4.38Å; L235-I261 HydrophobicContact CD2-CD1 3.98Å; L235-I261 HydrophobicContact CD2-CG1 4.22Å; L235-I261 HydrophobicContact CD2-CG2 3.82Å; M239-I261 HydrophobicContact CE-CG2 3.6Å; M239-I261 HydrophobicContact SD-CG2 3.86Å; L251-I261 HydrophobicContact CD1-CD1 3.89Å; E257-I261 WeakPolarHBondContact O-CB 3.34Å; E257-I261 WeakPolarHBondContact O-CD1 3.16Å; E257-I261 WeakPolarHBondContact O-CG1 3.29Å; E257-I261 PolarHBondContact O-N 3.03Å; I258-I261 PolarHBondContact O-N 2.68Å; I258-I261 VanDerWaalsContact O-N 3.1Å; S259-I261 VanDerWaalsContact C-N 3.3Å; S259-I261 PolarHBondContact O-N 3.13Å
262	K	86.9	Confident	84.4	Confident	23 Å²	23	53 Å²	53	10%	0.1	29%	0.294	C	S	.	.	H	α-helix	trans	-79.4	-27.2	-179.2	-63.5	-168.5	176	176.4	0	113.4	I258 S259 D264 V265 I268 W293 D296	I258-K262 HydrophobicContact CG2-CD 3.87Å; I258-K262 HydrophobicContact CG2-CG 4.14Å; I258-K262 WeakPolarHBondContact O-CB 2.87Å; I258-K262 WeakPolarHBondContact O-CG 3.3Å; I258-K262 PolarHBondContact O-N 3.43Å; S259-K262 PolarHBondContact O-N 2.73Å; K262-D264 PolarHBondContact O-N 3.17Å; K262-D264 VanDerWaalsContact O-N 3.08Å; K262-V265 PolarHBondContact O-N 2.84Å; K262-V265 VanDerWaalsContact O-N 3.08Å; K262-I268 HydrophobicContact CB-CD1 4.24Å; K262-I268 HydrophobicContact CD-CD1 3.64Å; K262-I268 HydrophobicContact CG-CD1 3.64Å; K262-W293 HydrophobicContact CD-CB 4.19Å; K262-W293 PolarHBondContact NZ-O 2.84Å; K262-D296 IonicContact NZ-OD2 3.36Å; K262-D296 PolarHBondContact NZ-OD2 2.53Å
263	S	82.6	Confident	84.5	Confident	78 Å²	78	52.3 Å²	52.3	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.7	179.1	57.9	0	0	0	0	114.9	S259 L260	S259-S263 VanDerWaalsContact O-CB 3.3Å; S259-S263 WeakPolarHBondContact O-CB 3.26Å; S259-S263 PolarHBondContact O-N 3.33Å; S259-S263 PolarHBondContact O-OG 3.45Å; L260-S263 PolarHBondContact O-OG 3.36Å
264	D	71.8	Confident	84.7	Confident	77 Å²	77	52 Å²	52	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	9.6	-174.3	-60.2	18.1	0	0	0	112.2	K232 Q236 K262	K232-D264 WeakPolarHBondContact CE-OD2 3.08Å; K232-D264 VanDerWaalsContact NZ-CG 3.29Å; K232-D264 IonicContact NZ-OD1 2.64Å; K232-D264 PolarHBondContact NZ-OD1 3.47Å; K232-D264 IonicContact NZ-OD2 2.9Å; K232-D264 PolarHBondContact NZ-OD2 2.8Å; Q236-D264 PolarHBondContact NE2-OD2 3.44Å; K262-D264 PolarHBondContact O-N 3.17Å; K262-D264 VanDerWaalsContact O-N 3.08Å
265	V	79.4	Confident	85.1	Confident	15 Å²	15	50.7 Å²	50.7	9%	0.091	27%	0.272	C	S	.	.			trans	-134.4	103	-165.6	178.7	0	0	0	0	110.6	Q236 M239 K240 K262 Q267 I268	Q236-V265 HydrophobicContact CB-CG2 4.41Å; Q236-V265 HydrophobicContact CG-CG2 3.89Å; M239-V265 HydrophobicContact CE-CG2 3.74Å; K240-V265 HydrophobicContact CG-CG1 4.11Å; K262-V265 PolarHBondContact O-N 2.84Å; K262-V265 VanDerWaalsContact O-N 3.08Å; V265-Q267 WeakPolarHBondContact CG1-O 3.48Å; V265-Q267 PolarHBondContact O-N 2.71Å; V265-I268 HydrophobicContact CG1-CG1 3.64Å
266	D	71.3	Confident	85.4	Confident	149 Å²	149	49.9 Å²	49.9	80%	0.797	27%	0.267	S	S	*	.	S	Bend	trans	-62	-29.4	-174.2	-32	-98.5	0	0	0	113.6	K240	K240-D266 IonicContact NZ-OD2 3.78Å; K240-D266 PolarHBondContact NZ-OD2 3.15Å
267	Q	77.3	Confident	85.8	Confident	158 Å²	158	42.8 Å²	42.8	74%	0.738	23%	0.234	S	C	*	.			trans	-154.6	134.7	177.8	-165.7	172	16.5	0	0	110	V265	V265-Q267 WeakPolarHBondContact CG1-O 3.48Å; V265-Q267 PolarHBondContact O-N 2.71Å
268	I	83.6	Confident	86.2	Confident	37 Å²	37	41.9 Å²	41.9	19%	0.19	23%	0.23	C	C	.	.			trans	-108.1	146.3	175.4	-58.3	170.8	0	0	0	107.8	M239 K262 V265 T272	M239-I268 HydrophobicContact CB-CG2 4.44Å; K262-I268 HydrophobicContact CB-CD1 4.24Å; K262-I268 HydrophobicContact CD-CD1 3.64Å; K262-I268 HydrophobicContact CG-CD1 3.64Å; V265-I268 HydrophobicContact CG1-CG1 3.64Å; I268-T272 HydrophobicContact CG2-CG2 4.28Å
269	H	84	Confident	86.2	Confident	45 Å²	45	42 Å²	42	21%	0.208	23%	0.231	C	C	.	.			trans	-65	132.4	174.6	-150	-83.2	0	0	0	110.4	M239 S242 R244 D271 T272	M239-H269 PolarHBondContact O-N 3.11Å; S242-H269 PolarHBondContact OG-NE2 3.16Å; S242-H269 VanDerWaalsContact OG-NE2 3.17Å; R244-H269 PolarHBondContact NH1-CD2 2.83Å; R244-H269 PolarHBondContact NH1-ND1 2.81Å; R244-H269 PolarHBondContact NH1-NE2 3.14Å; R244-H269 PolarHBondContact NH2-ND1 3.4Å; R244-H269 VanDerWaalsContact NH2-ND1 3.13Å; H269-D271 IonicContact CE1-OD2 3.99Å; H269-D271 PolarHBondContact CE1-OD2 3.23Å; H269-D271 IonicContact ND1-OD2 3.78Å; H269-D271 PolarHBondContact ND1-OD2 3.24Å; H269-D271 PolarHBondContact O-N 3.13Å; H269-D271 VanDerWaalsContact O-N 3.13Å; H269-T272 WeakPolarHBondContact O-CB 3.35Å; H269-T272 PolarHBondContact O-N 2.71Å; H269-T272 PolarHBondContact O-OG1 3.35Å
270	P	82.9	Confident	86.1	Confident	92 Å²	92	41 Å²	41	60%	0.597	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34	-171.3	20	-33.4	0	0	0	114	T272 W418	P270-T272 PolarHBondContact O-N 3.32Å; P270-W418 PolarHBondContact O-NE1 3.14Å; P270-W418 VanDerWaalsContact O-NE1 3.11Å
271	D	87.3	Confident	86.1	Confident	24 Å²	24	37.1 Å²	37.1	13%	0.128	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	9.4	-177.6	-26.2	-82.2	0	0	0	113.2	R244 N247 H269 P423	R244-D271 IonicContact NH2-OD2 3.83Å; N247-D271 WeakPolarHBondContact CB-O 3.46Å; H269-D271 IonicContact CE1-OD2 3.99Å; H269-D271 PolarHBondContact CE1-OD2 3.23Å; H269-D271 IonicContact ND1-OD2 3.78Å; H269-D271 PolarHBondContact ND1-OD2 3.24Å; H269-D271 PolarHBondContact O-N 3.13Å; H269-D271 VanDerWaalsContact O-N 3.13Å; D271-P423 HydrophobicContact CB-CB 4.23Å; D271-P423 WeakPolarHBondContact O-CB 3.43Å; D271-P423 WeakPolarHBondContact O-CG 3.32Å
272	T	89.7	Confident	85.7	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.211	C	C	.	.			trans	-75.4	130.8	176.2	-46.8	0	0	0	0	110	N247 I249 I268 H269 P270 F274 W418	N247-T272 WeakPolarHBondContact O-CA 3.29Å; I249-T272 HydrophobicContact CD1-CG2 3.81Å; I249-T272 HydrophobicContact CG1-CG2 4.46Å; I268-T272 HydrophobicContact CG2-CG2 4.28Å; H269-T272 WeakPolarHBondContact O-CB 3.35Å; H269-T272 PolarHBondContact O-N 2.71Å; H269-T272 PolarHBondContact O-OG1 3.35Å; P270-T272 PolarHBondContact O-N 3.32Å; T272-F274 HydrophobicContact CG2-CD2 4.48Å; T272-F274 HydrophobicContact CG2-CE1 4.5Å; T272-F274 HydrophobicContact CG2-CE2 3.78Å; T272-F274 HydrophobicContact CG2-CZ 3.78Å; T272-W418 PolarHBondContact O-NE1 2.93Å
273	L	92.5	Very high	85.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.9	173.4	175.6	64.6	0	0	0	110.3	W189 N247 I248 I249 I275 L298 W418 P423	W189-L273 HydrophobicContact CH2-CD2 3.65Å; W189-L273 HydrophobicContact CZ2-CD2 3.9Å; N247-L273 PolarHBondContact O-N 3.02Å; I248-L273 WeakPolarHBondContact CA-O 3.48Å; I249-L273 PolarHBondContact N-O 2.75Å; L273-I275 HydrophobicContact CD2-CG1 4.48Å; L273-I275 HydrophobicContact CG-CG1 4.45Å; L273-L298 HydrophobicContact CD1-CB 3.98Å; L273-W418 HydrophobicContact CB-CZ2 4.46Å; L273-W418 HydrophobicContact CD1-CH2 3.5Å; L273-W418 VanDerWaalsContact CD1-CH2 3.5Å; L273-W418 HydrophobicContact CD1-CZ2 3.61Å; L273-W418 HydrophobicContact CD1-CZ3 4.33Å; L273-P423 HydrophobicContact CB-CG 3.81Å; L273-P423 HydrophobicContact CD2-CG 4.49Å
274	F	93.8	Very high	85.7	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.8	169.6	-59.1	-90.1	0	0	0	109.7	M239 I249 L251 I258 T272 D296 V297 L298	M239-F274 HydrophobicContact CG-CE1 4.35Å; M239-F274 HydrophobicContact CG-CZ 4Å; M239-F274 HydrophobicContact SD-CE1 3.75Å; M239-F274 HydrophobicContact SD-CZ 3.47Å; M239-F274 WeakPolarHBondContact SD-CZ 3.41Å; I249-F274 HydrophobicContact CB-CD1 4Å; I249-F274 HydrophobicContact CB-CE1 4.28Å; I249-F274 HydrophobicContact CD1-CD1 4.35Å; I249-F274 HydrophobicContact CD1-CE1 3.75Å; I249-F274 HydrophobicContact CD1-CZ 4.23Å; I249-F274 HydrophobicContact CG2-CD1 4.04Å; I249-F274 HydrophobicContact CG2-CE1 4.26Å; I249-F274 CarbonylContact O-C 3.58Å; I249-F274 WeakPolarHBondContact O-CA 2.97Å; L251-F274 HydrophobicContact CD2-CB 4.24Å; L251-F274 HydrophobicContact CD2-CD1 3.99Å; I258-F274 HydrophobicContact CD1-CB 4.26Å; I258-F274 HydrophobicContact CD1-CG 4.46Å; T272-F274 HydrophobicContact CG2-CD2 4.48Å; T272-F274 HydrophobicContact CG2-CE1 4.5Å; T272-F274 HydrophobicContact CG2-CE2 3.78Å; T272-F274 HydrophobicContact CG2-CZ 3.78Å; F274-D296 HydrophobicContact CD2-CB 4.38Å; F274-D296 PolarHBondContact N-O 2.73Å; F274-D296 VanDerWaalsContact N-O 3.08Å; F274-V297 HydrophobicContact CB-CG1 4.32Å; F274-V297 HydrophobicContact CB-CG2 4.21Å; F274-V297 WeakPolarHBondContact O-CA 3.34Å; F274-L298 PolarHBondContact O-N 3.03Å
275	I	95.5	Very high	86.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.4	166.3	-53	-178.9	0	0	0	107.7	F175 W189 I248 I249 I250 L251 L273 L298 V300	F175-I275 HydrophobicContact CE1-CD1 4.11Å; F175-I275 HydrophobicContact CE1-CG2 3.98Å; F175-I275 HydrophobicContact CZ-CG2 3.99Å; W189-I275 HydrophobicContact CZ3-CD1 4.16Å; I248-I275 HydrophobicContact CG2-CD1 3.74Å; I248-I275 HydrophobicContact CG2-CG1 4.05Å; I249-I275 PolarHBondContact O-N 2.61Å; I250-I275 WeakPolarHBondContact CA-O 3.43Å; I250-I275 HydrophobicContact CG1-CB 4.33Å; I250-I275 HydrophobicContact CG1-CD1 4.47Å; L251-I275 PolarHBondContact N-O 3.28Å; L273-I275 HydrophobicContact CD2-CG1 4.48Å; L273-I275 HydrophobicContact CG-CG1 4.45Å; I275-L298 VanDerWaalsContact CA-O 3.32Å; I275-L298 WeakPolarHBondContact CA-O 3.32Å; I275-V300 HydrophobicContact CG2-CG2 3.86Å
276	L	95.1	Very high	86.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.9	-179.6	-175.9	66.7	0	0	0	109.6	L251 G253 I258 D278 M294 V297 L298 V299 V300	L251-L276 HydrophobicContact CD1-CD1 3.73Å; L251-L276 HydrophobicContact CG-CD1 3.82Å; G253-L276 WeakPolarHBondContact O-CD1 3.01Å; I258-L276 HydrophobicContact CD1-CD1 4.28Å; I258-L276 HydrophobicContact CG1-CD1 4.38Å; I258-L276 HydrophobicContact CG1-CD2 4.1Å; L276-D278 HydrophobicContact CD2-CB 4.46Å; L276-D278 HydrophobicContact CG-CB 4.38Å; L276-D278 PolarHBondContact O-N 2.85Å; L276-M294 HydrophobicContact CD2-CE 4.27Å; L276-V297 HydrophobicContact CB-CG1 3.85Å; L276-L298 PolarHBondContact N-O 3.44Å; L276-V299 HydrophobicContact CB-CG2 4.38Å; L276-V299 HydrophobicContact CD2-CG2 4.29Å; L276-V299 CarbonylContact O-C 3.07Å; L276-V299 WeakPolarHBondContact O-CA 3.43Å; L276-V300 PolarHBondContact O-N 2.96Å
277	L	94.4	Very high	86.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	105.2	167	-68.6	160.7	0	0	0	108.6	I171 F175 I210 I250 L251 C252 G253 V300	I171-L277 HydrophobicContact CD1-CD2 4.43Å; I171-L277 HydrophobicContact CG2-CD1 4.45Å; I171-L277 HydrophobicContact CG2-CD2 4.07Å; F175-L277 HydrophobicContact CE2-CD1 4.13Å; F175-L277 HydrophobicContact CE2-CD2 3.92Å; F175-L277 HydrophobicContact CE2-CG 4.35Å; F175-L277 HydrophobicContact CZ-CD1 4.47Å; F175-L277 HydrophobicContact CZ-CD2 4.14Å; F175-L277 HydrophobicContact CZ-CG 4.38Å; I210-L277 HydrophobicContact CD1-CD1 4.3Å; I250-L277 HydrophobicContact CG2-CD1 4.13Å; L251-L277 PolarHBondContact O-N 3.12Å; C252-L277 WeakPolarHBondContact CA-O 3.12Å; C252-L277 HydrophobicContact CB-CB 3.78Å; C252-L277 HydrophobicContact CB-CD1 4.22Å; C252-L277 VanDerWaalsContact SG-CB 3.52Å; C252-L277 PolarHBondContact SG-O 3.27Å; G253-L277 PolarHBondContact N-O 3.38Å; L277-V300 HydrophobicContact CD2-CB 4.11Å; L277-V300 HydrophobicContact CD2-CG1 4.28Å
278	D	91.9	Very high	86.2	Confident	21 Å²	21	36.9 Å²	36.9	11%	0.112	19%	0.189	C	C	.	.			trans	-137	79.7	171.6	-169.3	-2.5	0	0	0	109.4	P255 L276 N281 Y284 V299 V300 T301	P255-D278 WeakPolarHBondContact CD-OD2 3.32Å; L276-D278 HydrophobicContact CD2-CB 4.46Å; L276-D278 HydrophobicContact CG-CB 4.38Å; L276-D278 PolarHBondContact O-N 2.85Å; D278-N281 WeakPolarHBondContact OD1-CB 3.48Å; D278-N281 WeakPolarHBondContact OD2-CB 3.45Å; D278-N281 PolarHBondContact OD2-ND2 3.32Å; D278-Y284 HydrophobicContact CB-CE2 4.1Å; D278-Y284 PolarHBondContact OD2-OH 3.26Å; D278-V299 HydrophobicContact CB-CG1 4.21Å; D278-V300 CarbonylContact C-O 3.59Å; D278-V300 PolarHBondContact N-O 2.69Å; D278-V300 VanDerWaalsContact N-O 3.1Å; D278-T301 WeakPolarHBondContact O-CA 3.43Å; D278-T301 WeakPolarHBondContact O-CB 3.46Å; D278-T301 PolarHBondContact O-OG1 2.68Å
279	L	89.4	Confident	86.2	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.203	C	C	.	.			trans	-69.9	-39.1	-170.5	-69.9	-170.5	0	0	0	113.8	P166 I171 Y209 V300 T301 L302 R305 F382	P166-L279 HydrophobicContact CG-CD1 4.36Å; I171-L279 HydrophobicContact CD1-CD1 4.2Å; I171-L279 HydrophobicContact CD1-CD2 4.38Å; Y209-L279 HydrophobicContact CD2-CD1 4.44Å; Y209-L279 HydrophobicContact CE1-CD1 4.47Å; Y209-L279 HydrophobicContact CE2-CD1 3.53Å; Y209-L279 HydrophobicContact CE2-CG 4.29Å; Y209-L279 WeakPolarHBondContact OH-CD1 3.44Å; L279-V300 HydrophobicContact CD2-CG1 4.3Å; L279-T301 PolarHBondContact O-OG1 3.33Å; L279-L302 HydrophobicContact CB-CD1 4.39Å; L279-L302 HydrophobicContact CB-CD2 4.48Å; L279-L302 HydrophobicContact CB-CG 4.03Å; L279-L302 HydrophobicContact CD1-CD2 4.49Å; L279-L302 HydrophobicContact CD2-CD2 3.98Å; L279-L302 HydrophobicContact CD2-CG 4.32Å; L279-L302 WeakPolarHBondContact O-CB 3.46Å; L279-L302 VanDerWaalsContact O-CG 3.31Å; L279-L302 WeakPolarHBondContact O-CG 2.82Å; L279-L302 PolarHBondContact O-N 3.24Å; L279-R305 PolarHBondContact O-NH2 2.99Å; L279-F382 HydrophobicContact CD1-CE1 4.19Å; L279-F382 HydrophobicContact CD2-CD1 3.76Å; L279-F382 HydrophobicContact CD2-CE1 3.84Å
280	Y	86.1	Confident	86.3	Confident	24 Å²	24	38.6 Å²	38.6	9%	0.094	20%	0.201	C	C	.	.	S	Bend	trans	-100.3	-8.1	-163.4	-57.2	-63.6	0	0	0	113.4	F151 L165 D205 Y209 P282 L302 D321	F151-Y280 WeakPolarHBondContact CE1-OH 3.39Å; L165-Y280 HydrophobicContact CD1-CE1 4Å; L165-Y280 HydrophobicContact CD2-CE1 4.18Å; D205-Y280 HydrophobicContact CB-CE2 3.99Å; D205-Y280 WeakPolarHBondContact OD2-CE2 3.24Å; Y209-Y280 HydrophobicContact CE2-CE2 4.46Å; Y209-Y280 PolarHBondContact OH-OH 3.23Å; Y280-P282 WeakPolarHBondContact O-CD 3.28Å; Y280-L302 HydrophobicContact CD1-CD1 3.89Å; Y280-L302 HydrophobicContact CE1-CD1 3.58Å; Y280-D321 HydrophobicContact CD1-CB 3.61Å; Y280-D321 HydrophobicContact CE1-CB 4.21Å; Y280-D321 HydrophobicContact CG-CB 4.49Å
281	N	85.7	Confident	86.5	Confident	24 Å²	24	38.7 Å²	38.7	13%	0.128	19%	0.193	C	C	.	.			trans	-77.6	119.5	176.7	-175.7	-4.4	0	0	0	112.7	D278 E283 Y284	D278-N281 WeakPolarHBondContact OD1-CB 3.48Å; D278-N281 WeakPolarHBondContact OD2-CB 3.45Å; D278-N281 PolarHBondContact OD2-ND2 3.32Å; N281-E283 VanDerWaalsContact OD1-CB 3.23Å; N281-E283 WeakPolarHBondContact OD1-CB 3.3Å; N281-E283 VanDerWaalsContact OD1-CG 3.27Å; N281-E283 WeakPolarHBondContact OD1-CG 3.44Å; N281-E283 PolarHBondContact OD1-N 3.42Å; N281-Y284 HydrophobicContact CB-CD2 4.4Å; N281-Y284 HydrophobicContact CB-CE2 3.97Å
282	P	79.4	Confident	86.3	Confident	39 Å²	39	45.3 Å²	45.3	25%	0.253	22%	0.223	S	C	.	.			trans	-87.3	-9	177.6	36.4	-35.9	0	0	0	113.9	Y280 Y284 Y285 I286	Y280-P282 WeakPolarHBondContact O-CD 3.28Å; P282-Y284 PolarHBondContact O-N 3.19Å; P282-Y284 VanDerWaalsContact O-N 3.14Å; P282-Y285 PolarHBondContact O-N 3.48Å; P282-I286 HydrophobicContact CB-CD1 4.09Å; P282-I286 HydrophobicContact CG-CD1 4.24Å
283	E	82.4	Confident	86.2	Confident	115 Å²	115	48.3 Å²	48.3	54%	0.537	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.2	-32.9	-170.5	-70	-174.2	151.4	0	0	113.1	N281 Y285 I286 N287	N281-E283 VanDerWaalsContact OD1-CB 3.23Å; N281-E283 WeakPolarHBondContact OD1-CB 3.3Å; N281-E283 VanDerWaalsContact OD1-CG 3.27Å; N281-E283 WeakPolarHBondContact OD1-CG 3.44Å; N281-E283 PolarHBondContact OD1-N 3.42Å; E283-Y285 PolarHBondContact O-N 3.44Å; E283-I286 PolarHBondContact O-N 2.85Å; E283-N287 PolarHBondContact O-N 3.44Å
284	Y	86.2	Confident	86	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.027	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17.4	177.2	-55.7	-66.8	0	0	0	114.7	P255 D278 N281 P282 M294 V299 I385 Y394	P255-Y284 WeakPolarHBondContact CD-OH 3.14Å; D278-Y284 HydrophobicContact CB-CE2 4.1Å; D278-Y284 PolarHBondContact OD2-OH 3.26Å; N281-Y284 HydrophobicContact CB-CD2 4.4Å; N281-Y284 HydrophobicContact CB-CE2 3.97Å; P282-Y284 PolarHBondContact O-N 3.19Å; P282-Y284 VanDerWaalsContact O-N 3.14Å; Y284-M294 HydrophobicContact CE1-CE 4.11Å; Y284-V299 HydrophobicContact CD2-CG1 4.25Å; Y284-V299 HydrophobicContact CE1-CG1 4.35Å; Y284-V299 HydrophobicContact CE1-CG2 3.97Å; Y284-V299 HydrophobicContact CE2-CG1 3.71Å; Y284-I385 HydrophobicContact CG-CD1 4.38Å; Y284-Y394 HydrophobicContact CD1-CD1 4.26Å; Y284-Y394 HydrophobicContact CD1-CD2 4.14Å; Y284-Y394 HydrophobicContact CD1-CE1 4.02Å; Y284-Y394 AromaticContact CD1-CE2 3.89Å; Y284-Y394 HydrophobicContact CD1-CE2 3.89Å; Y284-Y394 HydrophobicContact CD1-CG 4.32Å; Y284-Y394 AromaticContact CD1-CZ 3.83Å; Y284-Y394 HydrophobicContact CE1-CE1 4.33Å
285	Y	84.5	Confident	85.7	Confident	41 Å²	41	53 Å²	53	16%	0.161	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-107.1	-8.9	175.1	-55.9	-79.3	0	0	0	113.8	P282 E283 T301 L302 P303 Q304 S383 I385	P282-Y285 PolarHBondContact O-N 3.48Å; E283-Y285 PolarHBondContact O-N 3.44Å; Y285-T301 HydrophobicContact CE2-CG2 3.96Å; Y285-L302 VanDerWaalsContact CE2-O 3.28Å; Y285-L302 WeakPolarHBondContact CE2-O 3.28Å; Y285-L302 PolarHBondContact OH-O 3.45Å; Y285-P303 WeakPolarHBondContact OH-CA 3.06Å; Y285-Q304 HydrophobicContact CD1-CB 3.77Å; Y285-Q304 HydrophobicContact CD1-CG 4.23Å; Y285-Q304 HydrophobicContact CD2-CB 4.19Å; Y285-Q304 HydrophobicContact CD2-CG 4.49Å; Y285-Q304 HydrophobicContact CE1-CB 4.06Å; Y285-Q304 HydrophobicContact CE2-CB 4.46Å; Y285-Q304 HydrophobicContact CG-CB 3.82Å; Y285-Q304 HydrophobicContact CG-CG 3.94Å; Y285-S383 WeakPolarHBondContact OH-CB 3.4Å; Y285-S383 PolarHBondContact OH-OG 3.28Å; Y285-S383 VanDerWaalsContact OH-OG 3.14Å; Y285-I385 HydrophobicContact CD1-CD1 4.49Å; Y285-I385 HydrophobicContact CE1-CD1 3.91Å; Y285-I385 HydrophobicContact CE2-CD1 4.19Å
286	I	80.1	Confident	85.4	Confident	109 Å²	109	55.3 Å²	55.3	56%	0.559	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-48.2	-175.2	-60.1	172.1	0	0	0	110	P282 E283 E288	P282-I286 HydrophobicContact CB-CD1 4.09Å; P282-I286 HydrophobicContact CG-CD1 4.24Å; E283-I286 PolarHBondContact O-N 2.85Å; I286-E288 PolarHBondContact O-N 3.45Å
287	N	75.1	Confident	85.3	Confident	75 Å²	75	55.4 Å²	55.4	40%	0.401	27%	0.269	S	S	.	.			trans	-92.1	94.4	173.3	-179.9	16.4	0	0	0	108.8	E283 M289 Y394	E283-N287 PolarHBondContact O-N 3.44Å; N287-M289 PolarHBondContact ND2-O 2.7Å; N287-M289 PolarHBondContact O-N 3.13Å; N287-M289 VanDerWaalsContact O-N 3.14Å; N287-M289 PolarHBondContact OD1-N 2.99Å; N287-Y394 WeakPolarHBondContact O-CD2 3.15Å
288	E	70.2	Confident	85.2	Confident	116 Å²	116	55.5 Å²	55.5	54%	0.542	27%	0.27	S	S	.	.			trans	-58.9	-25.9	-177.9	-64.3	-173.3	169.2	0	0	113.7	I286 K393 Y394	I286-E288 PolarHBondContact O-N 3.45Å; E288-K393 HydrophobicContact CB-CD 4.16Å; E288-K393 WeakPolarHBondContact O-CA 3.42Å; E288-K393 WeakPolarHBondContact O-CB 3.47Å; E288-K393 WeakPolarHBondContact O-CG 3.3Å; E288-K393 WeakPolarHBondContact OE2-CE 3.28Å; E288-K393 IonicContact OE2-NZ 2.73Å; E288-K393 PolarHBondContact OE2-NZ 3.45Å; E288-Y394 PolarHBondContact O-N 3.27Å; E288-Y394 VanDerWaalsContact O-N 3.1Å
289	M	84.3	Confident	85.4	Confident	99 Å²	99	54.5 Å²	54.5	49%	0.488	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-90.3	122.5	-174.2	-65.1	-58.2	-55	0	0	111.8	N287 K393	N287-M289 PolarHBondContact ND2-O 2.7Å; N287-M289 PolarHBondContact O-N 3.13Å; N287-M289 VanDerWaalsContact O-N 3.14Å; N287-M289 PolarHBondContact OD1-N 2.99Å; M289-K393 HydrophobicContact SD-CG 3.94Å
290	A	85.3	Confident	85.6	Confident	20 Å²	20	54.4 Å²	54.4	17%	0.165	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-79.6	149.2	176.6	0	0	0	0	0	112	T387 G392 Y394	A290-T387 HydrophobicContact CB-CG2 3.6Å; A290-G392 PolarHBondContact N-O 3.49Å; A290-Y394 HydrophobicContact CB-CD1 3.8Å; A290-Y394 HydrophobicContact CB-CD2 4.39Å; A290-Y394 HydrophobicContact CB-CE1 3.5Å; A290-Y394 HydrophobicContact CB-CE2 4.15Å; A290-Y394 HydrophobicContact CB-CG 4.23Å
291	H	86.8	Confident	85.9	Confident	93 Å²	93	53.3 Å²	53.3	43%	0.431	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-75.9	148.7	168.5	-65.8	-62.5	0	0	0	111	W293 M294	H291-W293 HydrophobicContact CB-CD2 3.91Å; H291-W293 VanDerWaalsContact CB-CE2 3.46Å; H291-W293 HydrophobicContact CB-CE3 4.48Å; H291-W293 HydrophobicContact CB-CG 4.32Å; H291-W293 HydrophobicContact CB-CH2 4.31Å; H291-W293 HydrophobicContact CB-CZ2 3.71Å; H291-W293 AromaticContact CD2-CH2 3.76Å; H291-W293 AromaticContact CD2-CZ2 3.38Å; H291-W293 WeakPolarHBondContact CD2-CZ2 3.21Å; H291-W293 AromaticContact CG-CE2 3.85Å; H291-W293 AromaticContact CG-CZ2 3.63Å; H291-W293 PolarHBondContact O-N 3.02Å; H291-W293 VanDerWaalsContact O-N 3.17Å; H291-M294 WeakPolarHBondContact O-CB 3.35Å; H291-M294 PolarHBondContact O-N 3.02Å
292	E	83.9	Confident	86.1	Confident	163 Å²	163	52.6 Å²	52.6	76%	0.762	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-56	-37.3	-177.7	-62.3	-176.3	144.2	0	0	113	M294 Q295	E292-M294 PolarHBondContact O-N 2.86Å; E292-Q295 WeakPolarHBondContact O-CB 3.36Å; E292-Q295 VanDerWaalsContact O-CG 3.23Å; E292-Q295 WeakPolarHBondContact O-CG 3.11Å; E292-Q295 PolarHBondContact O-N 3.36Å
293	W	87.1	Confident	86.2	Confident	66 Å²	66	53.3 Å²	53.3	25%	0.25	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70	-7.1	177.3	45.2	-98.7	0	0	0	114.5	P255 I258 K262 H291	P255-W293 HydrophobicContact CB-CH2 3.87Å; P255-W293 HydrophobicContact CB-CZ3 3.85Å; P255-W293 WeakPolarHBondContact O-CH2 2.98Å; P255-W293 WeakPolarHBondContact O-CZ3 3.31Å; I258-W293 HydrophobicContact CB-CE3 3.95Å; I258-W293 HydrophobicContact CB-CZ3 4.11Å; I258-W293 HydrophobicContact CG2-CE3 3.88Å; K262-W293 HydrophobicContact CD-CB 4.19Å; K262-W293 PolarHBondContact NZ-O 2.84Å; H291-W293 HydrophobicContact CB-CD2 3.91Å; H291-W293 VanDerWaalsContact CB-CE2 3.46Å; H291-W293 HydrophobicContact CB-CE3 4.48Å; H291-W293 HydrophobicContact CB-CG 4.32Å; H291-W293 HydrophobicContact CB-CH2 4.31Å; H291-W293 HydrophobicContact CB-CZ2 3.71Å; H291-W293 AromaticContact CD2-CH2 3.76Å; H291-W293 AromaticContact CD2-CZ2 3.38Å; H291-W293 WeakPolarHBondContact CD2-CZ2 3.21Å; H291-W293 AromaticContact CG-CE2 3.85Å; H291-W293 AromaticContact CG-CZ2 3.63Å; H291-W293 PolarHBondContact O-N 3.02Å; H291-W293 VanDerWaalsContact O-N 3.17Å
294	M	89.8	Confident	86	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-91.9	2.7	172.2	-67.3	-64.9	-73.1	0	0	114.1	P255 I258 L276 Y284 H291 E292 D296 V297 V299 T387 Y394	P255-M294 HydrophobicContact CB-CE 4.45Å; P255-M294 HydrophobicContact CB-SD 4.27Å; I258-M294 HydrophobicContact CB-SD 4.21Å; I258-M294 HydrophobicContact CG1-SD 4.07Å; I258-M294 HydrophobicContact CG2-SD 4.32Å; L276-M294 HydrophobicContact CD2-CE 4.27Å; Y284-M294 HydrophobicContact CE1-CE 4.11Å; H291-M294 WeakPolarHBondContact O-CB 3.35Å; H291-M294 PolarHBondContact O-N 3.02Å; E292-M294 PolarHBondContact O-N 2.86Å; M294-D296 PolarHBondContact O-N 2.78Å; M294-V297 HydrophobicContact CE-CB 3.92Å; M294-V297 HydrophobicContact CE-CG1 3.68Å; M294-V297 HydrophobicContact CE-CG2 4.43Å; M294-V297 PolarHBondContact O-N 3.46Å; M294-V297 HydrophobicContact SD-CB 4.03Å; M294-V297 HydrophobicContact SD-CG1 4.1Å; M294-V297 HydrophobicContact SD-CG2 3.88Å; M294-V299 HydrophobicContact CE-CG2 3.4Å; M294-T387 WeakPolarHBondContact O-CB 3.49Å; M294-T387 PolarHBondContact O-OG1 3.2Å; M294-Y394 HydrophobicContact CB-CE1 4.16Å; M294-Y394 HydrophobicContact CE-CE1 4.37Å; M294-Y394 HydrophobicContact CG-CE1 4.43Å
295	Q	87.3	Confident	85.4	Confident	99 Å²	99	55 Å²	55	46%	0.463	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-43.8	179.2	-73.8	172.5	18	0	0	112.6	E292 V297 T387	E292-Q295 WeakPolarHBondContact O-CB 3.36Å; E292-Q295 VanDerWaalsContact O-CG 3.23Å; E292-Q295 WeakPolarHBondContact O-CG 3.11Å; E292-Q295 PolarHBondContact O-N 3.36Å; Q295-V297 VanDerWaalsContact C-N 3.26Å; Q295-V297 PolarHBondContact O-N 3.06Å; Q295-T387 HydrophobicContact CG-CG2 4.03Å
296	D	88.4	Confident	84.2	Confident	48 Å²	48	60.7 Å²	60.7	26%	0.257	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	19.8	-178.7	-23.2	-74.2	0	0	0	113.7	K262 F274 M294 W418	K262-D296 IonicContact NZ-OD2 3.36Å; K262-D296 PolarHBondContact NZ-OD2 2.53Å; F274-D296 HydrophobicContact CD2-CB 4.38Å; F274-D296 PolarHBondContact N-O 2.73Å; F274-D296 VanDerWaalsContact N-O 3.08Å; M294-D296 PolarHBondContact O-N 2.78Å; D296-W418 HydrophobicContact CB-CZ2 4Å
297	V	92.3	Very high	83.3	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.8	-169.8	-170.1	0	0	0	0	111.5	I258 F274 L276 M294 Q295 V299	I258-V297 HydrophobicContact CD1-CG1 4.37Å; I258-V297 HydrophobicContact CD1-CG2 4.26Å; I258-V297 HydrophobicContact CG1-CG1 4.46Å; I258-V297 HydrophobicContact CG1-CG2 4.29Å; I258-V297 HydrophobicContact CG2-CG2 3.92Å; F274-V297 HydrophobicContact CB-CG1 4.32Å; F274-V297 HydrophobicContact CB-CG2 4.21Å; F274-V297 WeakPolarHBondContact O-CA 3.34Å; L276-V297 HydrophobicContact CB-CG1 3.85Å; M294-V297 HydrophobicContact CE-CB 3.92Å; M294-V297 HydrophobicContact CE-CG1 3.68Å; M294-V297 HydrophobicContact CE-CG2 4.43Å; M294-V297 PolarHBondContact O-N 3.46Å; M294-V297 HydrophobicContact SD-CB 4.03Å; M294-V297 HydrophobicContact SD-CG1 4.1Å; M294-V297 HydrophobicContact SD-CG2 3.88Å; Q295-V297 VanDerWaalsContact C-N 3.26Å; Q295-V297 PolarHBondContact O-N 3.06Å; V297-V299 HydrophobicContact CG1-CG2 4.1Å
298	L	93.9	Very high	82.1	Confident	2 Å²	2	58 Å²	58	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	106.4	172.4	-177.5	63.9	0	0	0	108.1	F178 L273 F274 I275 L276 F384 L397 L422	F178-L298 HydrophobicContact CE1-CD2 4.27Å; F178-L298 HydrophobicContact CZ-CD2 4.24Å; L273-L298 HydrophobicContact CD1-CB 3.98Å; F274-L298 PolarHBondContact O-N 3.03Å; I275-L298 VanDerWaalsContact CA-O 3.32Å; I275-L298 WeakPolarHBondContact CA-O 3.32Å; L276-L298 PolarHBondContact N-O 3.44Å; L298-F384 HydrophobicContact CD1-CB 4.18Å; L298-F384 HydrophobicContact CD1-CD1 4.13Å; L298-F384 HydrophobicContact CD2-CD1 3.83Å; L298-F384 HydrophobicContact CD2-CE1 4.27Å; L298-F384 HydrophobicContact CG-CD1 3.84Å; L298-L397 HydrophobicContact CD1-CD2 3.7Å; L298-L422 HydrophobicContact CD2-CD1 4.3Å
299	V	94.7	Very high	81.1	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.3	-177.6	-173.2	0	0	0	0	109.7	L276 D278 Y284 M294 V297 F384 I385	L276-V299 HydrophobicContact CB-CG2 4.38Å; L276-V299 HydrophobicContact CD2-CG2 4.29Å; L276-V299 CarbonylContact O-C 3.07Å; L276-V299 WeakPolarHBondContact O-CA 3.43Å; D278-V299 HydrophobicContact CB-CG1 4.21Å; Y284-V299 HydrophobicContact CD2-CG1 4.25Å; Y284-V299 HydrophobicContact CE1-CG1 4.35Å; Y284-V299 HydrophobicContact CE1-CG2 3.97Å; Y284-V299 HydrophobicContact CE2-CG1 3.71Å; M294-V299 HydrophobicContact CE-CG2 3.4Å; V297-V299 HydrophobicContact CG1-CG2 4.1Å; V299-F384 CarbonylContact O-C 3.54Å; V299-F384 WeakPolarHBondContact O-CA 3.35Å; V299-I385 HydrophobicContact CB-CB 4.37Å; V299-I385 PolarHBondContact N-O 2.97Å; V299-I385 PolarHBondContact O-N 2.91Å
300	V	95	Very high	79.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.9	168.1	-179	0	0	0	0	107.8	L174 I275 L276 L277 D278 L279 F382 F384	L174-V300 HydrophobicContact CD1-CG1 3.91Å; I275-V300 HydrophobicContact CG2-CG2 3.86Å; L276-V300 PolarHBondContact O-N 2.96Å; L277-V300 HydrophobicContact CD2-CB 4.11Å; L277-V300 HydrophobicContact CD2-CG1 4.28Å; D278-V300 CarbonylContact C-O 3.59Å; D278-V300 PolarHBondContact N-O 2.69Å; D278-V300 VanDerWaalsContact N-O 3.1Å; L279-V300 HydrophobicContact CD2-CG1 4.3Å; V300-F382 HydrophobicContact CG1-CB 4.33Å; V300-F382 HydrophobicContact CG1-CD1 4.38Å; V300-F384 HydrophobicContact CG1-CE2 4.45Å; V300-F384 HydrophobicContact CG2-CD1 3.77Å; V300-F384 HydrophobicContact CG2-CD2 4.36Å; V300-F384 HydrophobicContact CG2-CE1 3.51Å; V300-F384 HydrophobicContact CG2-CE2 4.16Å; V300-F384 HydrophobicContact CG2-CG 4.22Å; V300-F384 HydrophobicContact CG2-CZ 3.75Å
301	T	92.3	Very high	76.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169.7	-179.3	-166.9	0	0	0	0	112.4	D278 L279 Y285 S383 I385	D278-T301 WeakPolarHBondContact O-CA 3.43Å; D278-T301 WeakPolarHBondContact O-CB 3.46Å; D278-T301 PolarHBondContact O-OG1 2.68Å; L279-T301 PolarHBondContact O-OG1 3.33Å; Y285-T301 HydrophobicContact CE2-CG2 3.96Å; T301-S383 PolarHBondContact N-O 3.16Å; T301-S383 PolarHBondContact O-N 2.95Å; T301-I385 HydrophobicContact CG2-CD1 3.47Å; T301-I385 VanDerWaalsContact CG2-CD1 3.47Å; T301-I385 HydrophobicContact CG2-CG1 4.07Å
302	L	88.7	Confident	74.5	Confident	9 Å²	9	66.9 Å²	66.9	5%	0.047	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-80.4	163.9	171.3	-54.7	-177.2	0	0	0	110.1	P166 L279 Y280 Y285 R305 V380 F382	P166-L302 HydrophobicContact CG-CD1 4.32Å; P166-L302 HydrophobicContact CG-CD2 4.15Å; L279-L302 HydrophobicContact CB-CD1 4.39Å; L279-L302 HydrophobicContact CB-CD2 4.48Å; L279-L302 HydrophobicContact CB-CG 4.03Å; L279-L302 HydrophobicContact CD1-CD2 4.49Å; L279-L302 HydrophobicContact CD2-CD2 3.98Å; L279-L302 HydrophobicContact CD2-CG 4.32Å; L279-L302 WeakPolarHBondContact O-CB 3.46Å; L279-L302 VanDerWaalsContact O-CG 3.31Å; L279-L302 WeakPolarHBondContact O-CG 2.82Å; L279-L302 PolarHBondContact O-N 3.24Å; Y280-L302 HydrophobicContact CD1-CD1 3.89Å; Y280-L302 HydrophobicContact CE1-CD1 3.58Å; Y285-L302 VanDerWaalsContact CE2-O 3.28Å; Y285-L302 WeakPolarHBondContact CE2-O 3.28Å; Y285-L302 PolarHBondContact OH-O 3.45Å; L302-R305 PolarHBondContact O-NH1 3.32Å; L302-V380 HydrophobicContact CD2-CB 4.48Å; L302-V380 HydrophobicContact CD2-CG1 3.89Å; L302-F382 HydrophobicContact CD2-CD1 3.65Å; L302-F382 HydrophobicContact CD2-CE1 3.59Å; L302-F382 HydrophobicContact CD2-CZ 4.44Å
303	P	82.2	Confident	72.3	Confident	54 Å²	54	62 Å²	62	35%	0.351	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-71.5	167.8	-171.9	28.2	-27.3	0	0	0	111.7	Y285 R305 N381	Y285-P303 WeakPolarHBondContact OH-CA 3.06Å; P303-R305 WeakPolarHBondContact O-CD 2.9Å; P303-R305 PolarHBondContact O-N 3.36Å; P303-R305 PolarHBondContact O-NH1 2.86Å; P303-N381 WeakPolarHBondContact CD-O 3.28Å
304	Q	78.1	Confident	70	Confident	122 Å²	122	64.4 Å²	64.4	57%	0.57	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-59.1	128.3	178.9	-170.7	173.6	18.7	0	0	110.9	Y285	Y285-Q304 HydrophobicContact CD1-CB 3.77Å; Y285-Q304 HydrophobicContact CD1-CG 4.23Å; Y285-Q304 HydrophobicContact CD2-CB 4.19Å; Y285-Q304 HydrophobicContact CD2-CG 4.49Å; Y285-Q304 HydrophobicContact CE1-CB 4.06Å; Y285-Q304 HydrophobicContact CE2-CB 4.46Å; Y285-Q304 HydrophobicContact CG-CB 3.82Å; Y285-Q304 HydrophobicContact CG-CG 3.94Å
305	R	73.1	Confident	67.7	Low	35 Å²	35	73 Å²	73	13%	0.132	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-97	132.1	178.1	-51.2	90.2	163.3	141.8	-23.2	110.1	L279 L302 P303 Y307 D321	L279-R305 PolarHBondContact O-NH2 2.99Å; L302-R305 PolarHBondContact O-NH1 3.32Å; P303-R305 WeakPolarHBondContact O-CD 2.9Å; P303-R305 PolarHBondContact O-N 3.36Å; P303-R305 PolarHBondContact O-NH1 2.86Å; R305-Y307 VanDerWaalsContact C-N 3.25Å; R305-Y307 HydrophobicContact CB-CD1 4.17Å; R305-Y307 HydrophobicContact CB-CD2 3.91Å; R305-Y307 HydrophobicContact CB-CE1 3.91Å; R305-Y307 HydrophobicContact CB-CE2 3.64Å; R305-Y307 HydrophobicContact CB-CG 4.17Å; R305-Y307 HydrophobicContact CG-CE1 4.38Å; R305-Y307 HydrophobicContact CG-CE2 3.93Å; R305-Y307 PolarHBondContact O-N 3.16Å; R305-D321 IonicContact CZ-OD2 2.76Å; R305-D321 IonicContact NE-OD1 2.86Å; R305-D321 PolarHBondContact NE-OD1 2.91Å; R305-D321 IonicContact NE-OD2 2.6Å; R305-D321 PolarHBondContact NE-OD2 3.43Å; R305-D321 IonicContact NH2-OD1 2.85Å; R305-D321 IonicContact NH2-OD2 3.54Å; R305-D321 PolarHBondContact NH2-OD2 3.48Å
306	N	59.2	Low	65.4	Low	161 Å²	161	75 Å²	75	86%	0.861	41%	0.405	S	S	*	.			trans	-83	64.7	174.1	-78.8	-18.9	0	0	0	111.4	S308	N306-S308 PolarHBondContact O-N 2.75Å
307	Y	62.2	Low	63.4	Low	28 Å²	28	77 Å²	77	11%	0.11	42%	0.416	C	S	.	.			trans	-76.1	119.9	173.6	-62.5	-40.3	0	0	0	111	R305 Y309 I319 D321	R305-Y307 VanDerWaalsContact C-N 3.25Å; R305-Y307 HydrophobicContact CB-CD1 4.17Å; R305-Y307 HydrophobicContact CB-CD2 3.91Å; R305-Y307 HydrophobicContact CB-CE1 3.91Å; R305-Y307 HydrophobicContact CB-CE2 3.64Å; R305-Y307 HydrophobicContact CB-CG 4.17Å; R305-Y307 HydrophobicContact CG-CE1 4.38Å; R305-Y307 HydrophobicContact CG-CE2 3.93Å; R305-Y307 PolarHBondContact O-N 3.16Å; Y307-Y309 WeakPolarHBondContact O-CD2 3.27Å; Y307-Y309 PolarHBondContact O-N 3.47Å; Y307-I319 HydrophobicContact CD1-CB 4.27Å; Y307-I319 HydrophobicContact CD1-CD1 4.42Å; Y307-I319 HydrophobicContact CD1-CG2 3.83Å; Y307-I319 HydrophobicContact CD2-CB 4.41Å; Y307-I319 HydrophobicContact CE1-CB 4.44Å; Y307-I319 HydrophobicContact CE1-CG2 3.63Å; Y307-I319 HydrophobicContact CE2-CG2 4.37Å; Y307-I319 WeakPolarHBondContact CE2-O 3.33Å; Y307-I319 HydrophobicContact CG-CB 4.26Å; Y307-I319 HydrophobicContact CG-CG2 4.3Å; Y307-D321 PolarHBondContact OH-OD1 3.33Å; Y307-D321 VanDerWaalsContact OH-OD1 3.11Å
308	S	50.3	Low	61.5	Low	100 Å²	100	83 Å²	83	70%	0.699	45%	0.445	S	S	*	.			trans	-77.3	86.1	172.3	58	0	0	0	0	110.2	N306 N310	N306-S308 PolarHBondContact O-N 2.75Å; S308-N310 PolarHBondContact O-N 3.1Å
309	Y	48	Very low	60	Low	125 Å²	125	84.9 Å²	84.9	49%	0.49	46%	0.455	S	S	.	.			trans	-60	98.4	172.7	-72.8	-83.4	0	0	0	110.4	Y307 S311	Y307-Y309 WeakPolarHBondContact O-CD2 3.27Å; Y307-Y309 PolarHBondContact O-N 3.47Å; Y309-S311 PolarHBondContact O-N 3.28Å
310	N	42.3	Very low	59.1	Low	134 Å²	134	85.5 Å²	85.5	72%	0.717	46%	0.458	S	S	*	.			trans	-88.6	95.7	-172.7	-154.9	9.2	0	0	0	109.1	S308 N312	S308-N310 PolarHBondContact O-N 3.1Å; N310-N312 PolarHBondContact O-N 3.15Å
311	S	37	Very low	58.4	Low	108 Å²	108	86 Å²	86	76%	0.755	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	13.5	-158.3	68.5	0	0	0	0	118	Y309	Y309-S311 PolarHBondContact O-N 3.28Å
312	N	38	Very low	57.9	Low	148 Å²	148	86.5 Å²	86.5	79%	0.791	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	3.4	-165	-72.8	-4.6	0	0	0	114.9	N310	N310-N312 PolarHBondContact O-N 3.15Å
313	S	38.5	Very low	57.7	Low	59 Å²	59	87 Å²	87	41%	0.413	47%	0.465	S	S	.	.			trans	-82.9	141.6	167.3	42.5	0	0	0	0	111	Y315 D317	S313-Y315 VanDerWaalsContact C-N 3.26Å; S313-Y315 PolarHBondContact O-N 3.1Å; S313-D317 WeakPolarHBondContact CB-OD2 2.99Å; S313-D317 PolarHBondContact OG-OD2 3.24Å
314	S	39	Very low	57.9	Low	118 Å²	118	84.6 Å²	84.6	83%	0.825	45%	0.449	S	S	*	.	S	Bend	trans	-89.9	18.9	-175.1	69	0	0	0	0	114.2
315	Y	40.1	Very low	58.4	Low	180 Å²	180	78.8 Å²	78.8	71%	0.706	42%	0.423	S	S	*	.	S	Bend	trans	-125.9	150.1	169.3	-78.8	-94.7	0	0	0	107	S313 D317	S313-Y315 VanDerWaalsContact C-N 3.26Å; S313-Y315 PolarHBondContact O-N 3.1Å; Y315-D317 VanDerWaalsContact C-N 3.3Å; Y315-D317 PolarHBondContact O-N 2.62Å
316	N	41	Very low	59.2	Low	141 Å²	141	77.2 Å²	77.2	75%	0.754	42%	0.417	S	S	*	.			trans	-69.6	87.5	176.4	-85.1	1.8	0	0	0	110.1	M318	N316-M318 PolarHBondContact O-N 3.31Å
317	D	44.5	Very low	60.7	Low	89 Å²	89	69.9 Å²	69.9	48%	0.476	38%	0.377	S	S	.	.			trans	-73.1	61.3	171.5	-73.3	-32.6	0	0	0	111	S313 Y315 I319	S313-D317 WeakPolarHBondContact CB-OD2 2.99Å; S313-D317 PolarHBondContact OG-OD2 3.24Å; Y315-D317 VanDerWaalsContact C-N 3.3Å; Y315-D317 PolarHBondContact O-N 2.62Å; D317-I319 PolarHBondContact O-N 2.88Å; D317-I319 VanDerWaalsContact O-N 3.12Å
318	M	54.4	Low	62.1	Low	128 Å²	128	68.5 Å²	68.5	63%	0.631	37%	0.372	S	S	*	.			trans	-72.5	97	164.1	-79.7	178.4	160	0	0	108.3	N316 N320	N316-M318 PolarHBondContact O-N 3.31Å; M318-N320 PolarHBondContact O-N 3.43Å; M318-N320 VanDerWaalsContact O-N 3.08Å
319	I	61.3	Low	64	Low	42 Å²	42	63.8 Å²	63.8	22%	0.215	34%	0.339	C	S	.	.			trans	-64	109.1	173.8	-59.2	174.5	0	0	0	108.4	Y307 D317 M366	Y307-I319 HydrophobicContact CD1-CB 4.27Å; Y307-I319 HydrophobicContact CD1-CD1 4.42Å; Y307-I319 HydrophobicContact CD1-CG2 3.83Å; Y307-I319 HydrophobicContact CD2-CB 4.41Å; Y307-I319 HydrophobicContact CE1-CB 4.44Å; Y307-I319 HydrophobicContact CE1-CG2 3.63Å; Y307-I319 HydrophobicContact CE2-CG2 4.37Å; Y307-I319 WeakPolarHBondContact CE2-O 3.33Å; Y307-I319 HydrophobicContact CG-CB 4.26Å; Y307-I319 HydrophobicContact CG-CG2 4.3Å; D317-I319 PolarHBondContact O-N 2.88Å; D317-I319 VanDerWaalsContact O-N 3.12Å; I319-M366 HydrophobicContact CG2-CG 4.19Å; I319-M366 HydrophobicContact CG2-SD 3.7Å
320	N	74.9	Confident	66.1	Low	14 Å²	14	57.8 Å²	57.8	8%	0.075	32%	0.315	C	S	.	.			trans	-95.2	149.4	175.7	-176.4	8.7	0	0	0	111.3	E49 M318 Y322 M323 A324	E49-N320 HydrophobicContact CB-CB 4.23Å; E49-N320 WeakPolarHBondContact CB-ND2 3.3Å; E49-N320 PolarHBondContact OE1-ND2 3.1Å; E49-N320 PolarHBondContact OE2-ND2 3.45Å; M318-N320 PolarHBondContact O-N 3.43Å; M318-N320 VanDerWaalsContact O-N 3.08Å; N320-Y322 PolarHBondContact O-N 2.8Å; N320-M323 HydrophobicContact CB-CG 4.47Å; N320-M323 HydrophobicContact CB-SD 4.36Å; N320-M323 WeakPolarHBondContact O-CB 3.35Å; N320-M323 PolarHBondContact O-N 2.83Å; N320-A324 PolarHBondContact O-N 3.47Å
321	D	80.8	Confident	68.5	Low	10 Å²	10	51.5 Å²	51.5	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-31.7	174.5	-74.6	-62.6	0	0	0	112.9	L165 Y280 R305 Y307 A324 G325	L165-D321 HydrophobicContact CD2-CB 4.24Å; Y280-D321 HydrophobicContact CD1-CB 3.61Å; Y280-D321 HydrophobicContact CE1-CB 4.21Å; Y280-D321 HydrophobicContact CG-CB 4.49Å; R305-D321 IonicContact CZ-OD2 2.76Å; R305-D321 IonicContact NE-OD1 2.86Å; R305-D321 PolarHBondContact NE-OD1 2.91Å; R305-D321 IonicContact NE-OD2 2.6Å; R305-D321 PolarHBondContact NE-OD2 3.43Å; R305-D321 IonicContact NH2-OD1 2.85Å; R305-D321 IonicContact NH2-OD2 3.54Å; R305-D321 PolarHBondContact NH2-OD2 3.48Å; Y307-D321 PolarHBondContact OH-OD1 3.33Å; Y307-D321 VanDerWaalsContact OH-OD1 3.11Å; D321-A324 PolarHBondContact O-N 3.02Å; D321-G325 PolarHBondContact O-N 2.82Å
322	Y	82.6	Confident	71.1	Confident	11 Å²	11	46.5 Å²	46.5	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-42.3	172	-75.5	-85.4	0	0	0	112.6	W50 A148 F151 L165 N320 G325 Y326	W50-Y322 HydrophobicContact CE3-CD1 4.24Å; W50-Y322 HydrophobicContact CE3-CD2 4.11Å; W50-Y322 HydrophobicContact CE3-CE1 4.31Å; W50-Y322 HydrophobicContact CE3-CE2 4.19Å; W50-Y322 HydrophobicContact CE3-CG 4.13Å; W50-Y322 HydrophobicContact CZ3-CD2 4.46Å; W50-Y322 HydrophobicContact CZ3-CE2 4.14Å; A148-Y322 WeakPolarHBondContact O-CD1 3.46Å; F151-Y322 HydrophobicContact CE2-CE1 4.1Å; F151-Y322 WeakPolarHBondContact CE2-OH 3.22Å; F151-Y322 AromaticContact CZ-CE1 3.88Å; F151-Y322 HydrophobicContact CZ-CE1 3.88Å; F151-Y322 AromaticContact CZ-CZ 3.97Å; F151-Y322 WeakPolarHBondContact CZ-OH 3.44Å; L165-Y322 HydrophobicContact CD1-CD1 3.92Å; L165-Y322 HydrophobicContact CD1-CE1 4.09Å; L165-Y322 HydrophobicContact CD1-CG 4.19Å; N320-Y322 PolarHBondContact O-N 2.8Å; Y322-G325 PolarHBondContact O-N 3.27Å; Y322-Y326 VanDerWaalsContact O-CD2 3.22Å; Y322-Y326 WeakPolarHBondContact O-CD2 3.38Å; Y322-Y326 PolarHBondContact O-N 2.66Å
323	M	85.1	Confident	73.6	Confident	21 Å²	21	39.5 Å²	39.5	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-44.2	175.6	-64.4	167.7	61	0	0	110.7	F54 A58 N320 G325 Y326 H327	F54-M323 HydrophobicContact CB-CE 3.95Å; F54-M323 HydrophobicContact CB-CG 4.26Å; F54-M323 HydrophobicContact CB-SD 3.89Å; A58-M323 HydrophobicContact CB-CB 4.36Å; N320-M323 HydrophobicContact CB-CG 4.47Å; N320-M323 HydrophobicContact CB-SD 4.36Å; N320-M323 WeakPolarHBondContact O-CB 3.35Å; N320-M323 PolarHBondContact O-N 2.83Å; M323-G325 VanDerWaalsContact C-N 3.31Å; M323-G325 PolarHBondContact O-N 2.74Å; M323-Y326 PolarHBondContact O-N 3.26Å; M323-H327 PolarHBondContact O-N 3.16Å
324	A	85.6	Confident	76	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-42.4	174.3	0	0	0	0	0	111.2	N320 D321 Y326 H327 D328 M366	N320-A324 PolarHBondContact O-N 3.47Å; D321-A324 PolarHBondContact O-N 3.02Å; A324-Y326 VanDerWaalsContact C-N 3.33Å; A324-Y326 PolarHBondContact O-N 3.1Å; A324-H327 PolarHBondContact O-N 2.92Å; A324-D328 VanDerWaalsContact O-CB 3.23Å; A324-D328 WeakPolarHBondContact O-CB 3.28Å; A324-D328 PolarHBondContact O-N 3.11Å; A324-M366 HydrophobicContact CB-CB 4.23Å; A324-M366 HydrophobicContact CB-CG 4.05Å; A324-M366 HydrophobicContact CB-SD 4.21Å
325	G	89.1	Confident	78.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-33.2	177	0	0	0	0	0	114.4	T164 D321 Y322 M323 G329	T164-G325 WeakPolarHBondContact OG1-CA 3.48Å; T164-G325 PolarHBondContact OG1-O 2.73Å; D321-G325 PolarHBondContact O-N 2.82Å; Y322-G325 PolarHBondContact O-N 3.27Å; M323-G325 VanDerWaalsContact C-N 3.31Å; M323-G325 PolarHBondContact O-N 2.74Å; G325-G329 PolarHBondContact O-N 3.35Å; G325-G329 VanDerWaalsContact O-N 3.09Å
326	Y	90.1	Very high	80.6	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-76.8	-43.1	172.8	-79.3	-71	0	0	0	112.6	V55 L121 S124 A148 Y322 M323 A324 D328 G329 A330	V55-Y326 HydrophobicContact CB-CD2 4.36Å; V55-Y326 HydrophobicContact CG1-CD1 4.04Å; V55-Y326 HydrophobicContact CG1-CD2 3.59Å; V55-Y326 HydrophobicContact CG1-CE2 4.17Å; V55-Y326 HydrophobicContact CG1-CG 3.53Å; V55-Y326 HydrophobicContact CG2-CD2 3.76Å; V55-Y326 HydrophobicContact CG2-CE2 4.06Å; L121-Y326 HydrophobicContact CB-CD1 4.48Å; S124-Y326 PolarHBondContact N-OH 2.71Å; A148-Y326 HydrophobicContact CB-CD1 4.14Å; A148-Y326 HydrophobicContact CB-CD2 3.74Å; A148-Y326 HydrophobicContact CB-CE1 4.2Å; A148-Y326 HydrophobicContact CB-CE2 3.8Å; A148-Y326 HydrophobicContact CB-CG 3.91Å; Y322-Y326 VanDerWaalsContact O-CD2 3.22Å; Y322-Y326 WeakPolarHBondContact O-CD2 3.38Å; Y322-Y326 PolarHBondContact O-N 2.66Å; M323-Y326 PolarHBondContact O-N 3.26Å; A324-Y326 VanDerWaalsContact C-N 3.33Å; A324-Y326 PolarHBondContact O-N 3.1Å; Y326-D328 VanDerWaalsContact C-N 3.31Å; Y326-D328 PolarHBondContact O-N 3.47Å; Y326-G329 PolarHBondContact O-N 3.38Å; Y326-A330 PolarHBondContact O-N 3.31Å; Y326-A330 VanDerWaalsContact O-N 3.09Å
327	H	90.6	Very high	82.7	Confident	6 Å²	6	17.8 Å²	17.8	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-44.8	172.6	161.9	-75.7	0	0	0	111.1	A58 A62 M323 A324 A330 L331 M366	A58-H327 HydrophobicContact CB-CB 4.24Å; A58-H327 PolarHBondContact O-CD2 2.83Å; A62-H327 HydrophobicContact CB-CB 4.3Å; A62-H327 WeakPolarHBondContact CB-O 3.5Å; M323-H327 PolarHBondContact O-N 3.16Å; A324-H327 PolarHBondContact O-N 2.92Å; H327-A330 WeakPolarHBondContact O-CB 3.25Å; H327-A330 PolarHBondContact O-N 2.73Å; H327-L331 WeakPolarHBondContact CE1-CD1 3.25Å; H327-L331 PolarHBondContact O-N 3.03Å; H327-M366 VanDerWaalsContact CE1-CB 3.48Å; H327-M366 WeakPolarHBondContact CE1-CB 3.48Å; H327-M366 PolarHBondContact CE1-N 2.87Å; H327-M366 WeakPolarHBondContact ND1-CB 3.38Å
328	D	90.7	Very high	84.6	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.8	-33.6	-178.9	-66.5	-10.4	0	0	0	111.3	A324 Y326 A330 L331 L332 I363 G365 M366 G367	A324-D328 VanDerWaalsContact O-CB 3.23Å; A324-D328 WeakPolarHBondContact O-CB 3.28Å; A324-D328 PolarHBondContact O-N 3.11Å; Y326-D328 VanDerWaalsContact C-N 3.31Å; Y326-D328 PolarHBondContact O-N 3.47Å; D328-A330 VanDerWaalsContact C-N 3.33Å; D328-A330 PolarHBondContact O-N 2.91Å; D328-L331 PolarHBondContact O-N 3.07Å; D328-L332 WeakPolarHBondContact O-CB 3.11Å; D328-L332 PolarHBondContact O-N 3.13Å; D328-I363 HydrophobicContact CB-CD1 4.07Å; D328-I363 WeakPolarHBondContact O-CD1 3.35Å; D328-G365 WeakPolarHBondContact OD1-CA 3.39Å; D328-M366 PolarHBondContact OD1-N 3.04Å; D328-M366 PolarHBondContact OD2-N 2.89Å; D328-G367 WeakPolarHBondContact OD2-CA 3.27Å; D328-G367 PolarHBondContact OD2-N 3.34Å
329	G	91.6	Very high	86	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.7	-35.7	169.6	0	0	0	0	0	113.7	I146 G325 Y326 F333	I146-G329 WeakPolarHBondContact CD1-O 3.3Å; G325-G329 PolarHBondContact O-N 3.35Å; G325-G329 VanDerWaalsContact O-N 3.09Å; Y326-G329 PolarHBondContact O-N 3.38Å; G329-F333 PolarHBondContact O-N 2.84Å
330	A	91.9	Very high	86.9	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-71.7	-42.8	175	0	0	0	0	0	112.2	M38 V59 A62 L121 Y326 H327 D328 L332 F333 G334	M38-A330 HydrophobicContact CE-CB 3.9Å; M38-A330 HydrophobicContact SD-CB 4.24Å; V59-A330 HydrophobicContact CG1-CB 4.14Å; A62-A330 HydrophobicContact CB-CB 3.66Å; L121-A330 HydrophobicContact CD2-CB 3.99Å; Y326-A330 PolarHBondContact O-N 3.31Å; Y326-A330 VanDerWaalsContact O-N 3.09Å; H327-A330 WeakPolarHBondContact O-CB 3.25Å; H327-A330 PolarHBondContact O-N 2.73Å; D328-A330 VanDerWaalsContact C-N 3.33Å; D328-A330 PolarHBondContact O-N 2.91Å; A330-L332 VanDerWaalsContact C-N 3.35Å; A330-F333 PolarHBondContact O-N 3.45Å; A330-G334 PolarHBondContact O-N 2.96Å; A330-G334 VanDerWaalsContact O-N 3.09Å
331	L	91.3	Very high	86.9	Confident	2 Å²	2	13.5 Å²	13.5	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-39.8	173.4	-73.3	-176.5	0	0	0	112.7	A62 K65 D66 H327 D328 F333 G334 Q335 I363	A62-L331 HydrophobicContact CB-CD2 4.3Å; A62-L331 HydrophobicContact CB-CG 4.13Å; A62-L331 WeakPolarHBondContact O-CD2 3.06Å; K65-L331 HydrophobicContact CB-CD2 4.23Å; K65-L331 HydrophobicContact CD-CD1 4.1Å; K65-L331 HydrophobicContact CD-CD2 4.22Å; K65-L331 HydrophobicContact CG-CD2 4.18Å; D66-L331 HydrophobicContact CB-CD2 4.3Å; H327-L331 WeakPolarHBondContact CE1-CD1 3.25Å; H327-L331 PolarHBondContact O-N 3.03Å; D328-L331 PolarHBondContact O-N 3.07Å; L331-F333 PolarHBondContact O-N 3.14Å; L331-G334 PolarHBondContact O-N 3.02Å; L331-Q335 WeakPolarHBondContact O-CB 3.09Å; L331-Q335 PolarHBondContact O-N 3.18Å; L331-I363 HydrophobicContact CB-CD1 4.15Å
332	L	91.9	Very high	86.6	Confident	2 Å²	2	16 Å²	16	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-58.5	-46.7	176.8	176.1	66.2	0	0	0	111.4	I146 T162 D328 A330 Q335 V336 F358 V361 I363 L372	I146-L332 HydrophobicContact CD1-CD2 4.2Å; I146-L332 HydrophobicContact CG2-CD2 4.43Å; T162-L332 HydrophobicContact CG2-CD2 3.94Å; D328-L332 WeakPolarHBondContact O-CB 3.11Å; D328-L332 PolarHBondContact O-N 3.13Å; A330-L332 VanDerWaalsContact C-N 3.35Å; L332-Q335 PolarHBondContact O-N 2.6Å; L332-V336 HydrophobicContact CD1-CG2 4.47Å; L332-V336 WeakPolarHBondContact O-CG2 3.19Å; L332-V336 PolarHBondContact O-N 2.98Å; L332-F358 HydrophobicContact CD1-CD1 4.39Å; L332-F358 HydrophobicContact CD2-CB 4.15Å; L332-F358 HydrophobicContact CD2-CD1 4.17Å; L332-F358 HydrophobicContact CD2-CG 4.25Å; L332-F358 HydrophobicContact CG-CB 4.48Å; L332-F358 HydrophobicContact CG-CD1 3.89Å; L332-F358 HydrophobicContact CG-CG 4.43Å; L332-V361 HydrophobicContact CD1-CB 4.03Å; L332-V361 HydrophobicContact CD1-CG1 3.63Å; L332-I363 HydrophobicContact CB-CD1 4Å; L332-I363 HydrophobicContact CD1-CG2 3.96Å; L332-L372 HydrophobicContact CD1-CD1 3.67Å; L332-L372 HydrophobicContact CD2-CD1 3.55Å; L332-L372 HydrophobicContact CG-CD1 4.26Å
333	F	90.8	Very high	86.2	Confident	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-45	177.6	-179.5	-113.8	0	0	0	112.4	L26 M38 L79 C118 V119 I146 G329 A330 L331 Q335 V336 L337 F358	L26-F333 HydrophobicContact CD1-CE2 4.31Å; M38-F333 HydrophobicContact CG-CD1 3.72Å; M38-F333 HydrophobicContact CG-CE1 3.89Å; M38-F333 HydrophobicContact SD-CB 4.41Å; M38-F333 HydrophobicContact SD-CD1 3.68Å; M38-F333 HydrophobicContact SD-CE1 4.44Å; M38-F333 HydrophobicContact SD-CG 4.4Å; L79-F333 HydrophobicContact CD1-CD1 3.74Å; L79-F333 HydrophobicContact CD1-CE1 3.66Å; C118-F333 HydrophobicContact CB-CE2 4.27Å; C118-F333 HydrophobicContact CB-CZ 3.64Å; V119-F333 HydrophobicContact CB-CD2 3.87Å; V119-F333 HydrophobicContact CB-CE2 3.83Å; V119-F333 HydrophobicContact CB-CG 4.31Å; V119-F333 HydrophobicContact CB-CZ 4.24Å; V119-F333 HydrophobicContact CG1-CB 4.35Å; V119-F333 HydrophobicContact CG1-CD1 3.65Å; V119-F333 HydrophobicContact CG1-CD2 3.66Å; V119-F333 HydrophobicContact CG1-CE1 3.75Å; V119-F333 HydrophobicContact CG1-CE2 3.78Å; V119-F333 HydrophobicContact CG1-CG 3.6Å; V119-F333 HydrophobicContact CG1-CZ 3.82Å; V119-F333 HydrophobicContact CG2-CD2 4.29Å; I146-F333 HydrophobicContact CD1-CB 4.19Å; G329-F333 PolarHBondContact O-N 2.84Å; A330-F333 PolarHBondContact O-N 3.45Å; L331-F333 PolarHBondContact O-N 3.14Å; F333-Q335 VanDerWaalsContact C-N 3.34Å; F333-Q335 PolarHBondContact O-N 3.39Å; F333-V336 PolarHBondContact O-N 2.97Å; F333-L337 HydrophobicContact CD1-CD1 3.99Å; F333-L337 HydrophobicContact CD2-CG 4.46Å; F333-L337 HydrophobicContact CE1-CD1 3.44Å; F333-L337 VanDerWaalsContact CE1-CD1 3.44Å; F333-L337 HydrophobicContact CE1-CG 4.17Å; F333-L337 HydrophobicContact CE2-CD1 4.2Å; F333-L337 HydrophobicContact CE2-CD2 4.24Å; F333-L337 HydrophobicContact CE2-CG 4.03Å; F333-L337 HydrophobicContact CZ-CD1 3.55Å; F333-L337 HydrophobicContact CZ-CD2 4.07Å; F333-L337 HydrophobicContact CZ-CG 3.87Å; F333-L337 WeakPolarHBondContact O-CG 3.37Å; F333-L337 PolarHBondContact O-N 3.27Å; F333-F358 HydrophobicContact CD2-CE1 4.03Å; F333-F358 AromaticContact CD2-CZ 3.94Å; F333-F358 HydrophobicContact CD2-CZ 3.94Å
334	G	89.1	Confident	85.2	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60	-41	175.7	0	0	0	0	0	113.2	D66 A330 L331 R338	D66-G334 WeakPolarHBondContact OD1-CA 3.47Å; A330-G334 PolarHBondContact O-N 2.96Å; A330-G334 VanDerWaalsContact O-N 3.09Å; L331-G334 PolarHBondContact O-N 3.02Å; G334-R338 WeakPolarHBondContact O-CB 3.44Å; G334-R338 PolarHBondContact O-N 3.32Å; G334-R338 VanDerWaalsContact O-N 3.09Å
335	Q	88.6	Confident	84	Confident	35 Å²	35	27.4 Å²	27.4	16%	0.164	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-48.5	175.6	-173.3	171.1	-46.7	0	0	112.5	L331 L332 F333 L337 R338 D339 T362	L331-Q335 WeakPolarHBondContact O-CB 3.09Å; L331-Q335 PolarHBondContact O-N 3.18Å; L332-Q335 PolarHBondContact O-N 2.6Å; F333-Q335 VanDerWaalsContact C-N 3.34Å; F333-Q335 PolarHBondContact O-N 3.39Å; Q335-L337 VanDerWaalsContact C-N 3.32Å; Q335-L337 PolarHBondContact O-N 2.91Å; Q335-R338 PolarHBondContact O-N 3.34Å; Q335-R338 VanDerWaalsContact O-N 3.12Å; Q335-D339 WeakPolarHBondContact CG-OD2 3.27Å; Q335-D339 WeakPolarHBondContact O-CB 3.47Å; Q335-D339 VanDerWaalsContact O-CG 3.26Å; Q335-D339 PolarHBondContact O-N 2.87Å; Q335-T362 PolarHBondContact NE2-O 2.98Å
336	V	87.1	Confident	82.6	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-35.2	179.7	170.2	0	0	0	0	112.4	L26 L332 F333 R340 F358 V361	L26-V336 HydrophobicContact CD2-CG1 4.07Å; L332-V336 HydrophobicContact CD1-CG2 4.47Å; L332-V336 WeakPolarHBondContact O-CG2 3.19Å; L332-V336 PolarHBondContact O-N 2.98Å; F333-V336 PolarHBondContact O-N 2.97Å; V336-R340 HydrophobicContact CG1-CG 4.35Å; V336-R340 VanDerWaalsContact O-CB 3.29Å; V336-R340 WeakPolarHBondContact O-CB 3.11Å; V336-R340 WeakPolarHBondContact O-CG 3.32Å; V336-R340 PolarHBondContact O-N 3.43Å; V336-F358 HydrophobicContact CB-CD1 4.16Å; V336-F358 HydrophobicContact CB-CE1 4.15Å; V336-F358 HydrophobicContact CG1-CD1 4.32Å; V336-F358 HydrophobicContact CG1-CE1 4.26Å; V336-F358 HydrophobicContact CG2-CD1 3.86Å; V336-F358 HydrophobicContact CG2-CE1 4.36Å; V336-V361 HydrophobicContact CG2-CG1 4.1Å; V336-V361 HydrophobicContact CG2-CG2 3.93Å
337	L	85	Confident	80.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-49.7	170	-77.5	177.6	0	0	0	111.9	L26 L30 Y36 L77 F333 Q335 R340 L341	L26-L337 HydrophobicContact CD1-CD2 4.04Å; L30-L337 HydrophobicContact CD2-CD2 3.77Å; L30-L337 HydrophobicContact CG-CD2 4.36Å; Y36-L337 HydrophobicContact CD1-CD1 4.3Å; Y36-L337 HydrophobicContact CD1-CD2 4.33Å; Y36-L337 HydrophobicContact CD2-CD1 3.86Å; Y36-L337 HydrophobicContact CE1-CD2 4.36Å; Y36-L337 HydrophobicContact CE2-CD1 4.49Å; Y36-L337 HydrophobicContact CG-CD1 3.74Å; L77-L337 HydrophobicContact CD1-CB 4.21Å; F333-L337 HydrophobicContact CD1-CD1 3.99Å; F333-L337 HydrophobicContact CD2-CG 4.46Å; F333-L337 HydrophobicContact CE1-CD1 3.44Å; F333-L337 VanDerWaalsContact CE1-CD1 3.44Å; F333-L337 HydrophobicContact CE1-CG 4.17Å; F333-L337 HydrophobicContact CE2-CD1 4.2Å; F333-L337 HydrophobicContact CE2-CD2 4.24Å; F333-L337 HydrophobicContact CE2-CG 4.03Å; F333-L337 HydrophobicContact CZ-CD1 3.55Å; F333-L337 HydrophobicContact CZ-CD2 4.07Å; F333-L337 HydrophobicContact CZ-CG 3.87Å; F333-L337 WeakPolarHBondContact O-CG 3.37Å; F333-L337 PolarHBondContact O-N 3.27Å; Q335-L337 VanDerWaalsContact C-N 3.32Å; Q335-L337 PolarHBondContact O-N 2.91Å; L337-R340 PolarHBondContact O-N 2.87Å; L337-L341 WeakPolarHBondContact O-CB 3.36Å; L337-L341 WeakPolarHBondContact O-CG 3.36Å; L337-L341 PolarHBondContact O-N 2.89Å
338	R	85.2	Confident	78.6	Confident	14 Å²	14	44.9 Å²	44.9	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-46.1	-179.8	169.1	161.9	56.3	-103.1	-6.9	112	D66 N70 L75 G334 Q335 L341 M342	D66-R338 IonicContact OD1-CZ 2.84Å; D66-R338 VanDerWaalsContact OD1-CZ 3.23Å; D66-R338 IonicContact OD1-NH1 2.69Å; D66-R338 PolarHBondContact OD1-NH1 3.4Å; D66-R338 IonicContact OD1-NH2 2.68Å; D66-R338 PolarHBondContact OD1-NH2 3Å; D66-R338 IonicContact OD2-NH1 2.71Å; D66-R338 PolarHBondContact OD2-NH1 2.96Å; N70-R338 VanDerWaalsContact CG-NH1 3.31Å; N70-R338 PolarHBondContact ND2-NH1 3.45Å; N70-R338 PolarHBondContact OD1-NH1 3.33Å; L75-R338 HydrophobicContact CD1-CB 4.37Å; L75-R338 HydrophobicContact CD1-CG 3.6Å; G334-R338 WeakPolarHBondContact O-CB 3.44Å; G334-R338 PolarHBondContact O-N 3.32Å; G334-R338 VanDerWaalsContact O-N 3.09Å; Q335-R338 PolarHBondContact O-N 3.34Å; Q335-R338 VanDerWaalsContact O-N 3.12Å; R338-L341 PolarHBondContact O-N 3.38Å; R338-M342 WeakPolarHBondContact O-CB 3.38Å; R338-M342 VanDerWaalsContact O-CG 3.29Å; R338-M342 WeakPolarHBondContact O-CG 3.39Å; R338-M342 PolarHBondContact O-N 2.97Å
339	D	83.4	Confident	76.3	Confident	81 Å²	81	54.2 Å²	54.2	43%	0.433	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-41.2	180	-65.7	-17.3	0	0	0	111.5	Q335 M342 S343	Q335-D339 WeakPolarHBondContact CG-OD2 3.27Å; Q335-D339 WeakPolarHBondContact O-CB 3.47Å; Q335-D339 VanDerWaalsContact O-CG 3.26Å; Q335-D339 PolarHBondContact O-N 2.87Å; D339-M342 PolarHBondContact O-N 3.39Å; D339-S343 WeakPolarHBondContact O-CB 3.3Å; D339-S343 PolarHBondContact O-N 3.01Å
340	R	79.7	Confident	74.1	Confident	45 Å²	45	57.2 Å²	57.2	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-38.8	174.6	-73.3	-87.3	174	150.4	-8.3	112.2	H23 L26 L30 V336 L337 K344 D352	H23-R340 PolarHBondContact ND1-NH1 2.7Å; H23-R340 VanDerWaalsContact ND1-NH1 3.16Å; L26-R340 HydrophobicContact CD2-CG 3.92Å; L30-R340 HydrophobicContact CD1-CB 4.01Å; V336-R340 HydrophobicContact CG1-CG 4.35Å; V336-R340 VanDerWaalsContact O-CB 3.29Å; V336-R340 WeakPolarHBondContact O-CB 3.11Å; V336-R340 WeakPolarHBondContact O-CG 3.32Å; V336-R340 PolarHBondContact O-N 3.43Å; L337-R340 PolarHBondContact O-N 2.87Å; R340-K344 WeakPolarHBondContact O-CG 3.23Å; R340-K344 PolarHBondContact O-N 2.86Å; R340-K344 VanDerWaalsContact O-N 3.12Å; R340-D352 IonicContact NH2-OD2 2.7Å; R340-D352 PolarHBondContact NH2-OD2 2.84Å
341	L	75.5	Confident	71.7	Confident	44 Å²	44	65.9 Å²	65.9	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-68.5	-41	174.8	-76.2	166.5	0	0	0	112.6	L30 L77 L337 R338 K344 K345	L30-L341 HydrophobicContact CD2-CD1 4.15Å; L30-L341 HydrophobicContact CD2-CD2 3.9Å; L30-L341 HydrophobicContact CD2-CG 3.79Å; L77-L341 HydrophobicContact CD1-CD1 3.64Å; L337-L341 WeakPolarHBondContact O-CB 3.36Å; L337-L341 WeakPolarHBondContact O-CG 3.36Å; L337-L341 PolarHBondContact O-N 2.89Å; R338-L341 PolarHBondContact O-N 3.38Å; L341-K344 PolarHBondContact O-N 3.16Å; L341-K345 PolarHBondContact O-N 3.24Å
342	M	74.5	Confident	69.5	Low	61 Å²	61	68.8 Å²	68.8	30%	0.3	34%	0.343	S	S	.	.	H	α-helix	trans	-68.7	-37.3	177	-69.9	-65.9	-83.4	0	0	111.8	L75 R338 D339 K345 L346	L75-M342 HydrophobicContact CD1-CG 4.19Å; L75-M342 HydrophobicContact CD1-SD 4.17Å; L75-M342 HydrophobicContact CD2-SD 4.09Å; L75-M342 HydrophobicContact CG-SD 4.45Å; R338-M342 WeakPolarHBondContact O-CB 3.38Å; R338-M342 VanDerWaalsContact O-CG 3.29Å; R338-M342 WeakPolarHBondContact O-CG 3.39Å; R338-M342 PolarHBondContact O-N 2.97Å; D339-M342 PolarHBondContact O-N 3.39Å; M342-K345 WeakPolarHBondContact O-CB 3.44Å; M342-K345 PolarHBondContact O-N 2.95Å; M342-K345 HydrophobicContact SD-CD 3.85Å; M342-L346 PolarHBondContact O-N 2.89Å
343	S	72.9	Confident	67.2	Low	36 Å²	36	75 Å²	75	25%	0.252	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-42.4	172.2	-167.4	0	0	0	0	111.9	D339 L346 G347 R348	D339-S343 WeakPolarHBondContact O-CB 3.3Å; D339-S343 PolarHBondContact O-N 3.01Å; S343-L346 PolarHBondContact O-N 3.26Å; S343-G347 PolarHBondContact O-N 2.83Å; S343-R348 PolarHBondContact O-N 2.88Å
344	K	64.7	Low	65.3	Low	110 Å²	110	77.4 Å²	77.4	48%	0.478	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-42.1	171.4	-75	178.8	179.4	177.2	0	112.6	D27 R340 L341 L346 G347	D27-K344 VanDerWaalsContact OD1-CE 3.31Å; D27-K344 WeakPolarHBondContact OD1-CE 3.43Å; D27-K344 IonicContact OD1-NZ 2.7Å; D27-K344 PolarHBondContact OD1-NZ 2.95Å; R340-K344 WeakPolarHBondContact O-CG 3.23Å; R340-K344 PolarHBondContact O-N 2.86Å; R340-K344 VanDerWaalsContact O-N 3.12Å; L341-K344 PolarHBondContact O-N 3.16Å; K344-L346 VanDerWaalsContact C-N 3.27Å; K344-L346 PolarHBondContact O-N 2.9Å; K344-G347 PolarHBondContact O-N 3.4Å
345	K	59.9	Low	63.9	Low	128 Å²	128	83.2 Å²	83.2	56%	0.557	42%	0.421	S	S	*	.	H	α-helix	trans	-57.7	-37.3	171.7	-86.6	-174.3	178.7	178	0	111.9	D74 L341 M342	D74-K345 PolarHBondContact O-NZ 3.48Å; L341-K345 PolarHBondContact O-N 3.24Å; M342-K345 WeakPolarHBondContact O-CB 3.44Å; M342-K345 PolarHBondContact O-N 2.95Å; M342-K345 HydrophobicContact SD-CD 3.85Å
346	L	60.1	Low	63.2	Low	123 Å²	123	81.9 Å²	81.9	64%	0.644	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-3	-177.5	-110	69.9	0	0	0	115.2	M342 S343 K344 R348	M342-L346 PolarHBondContact O-N 2.89Å; S343-L346 PolarHBondContact O-N 3.26Å; K344-L346 VanDerWaalsContact C-N 3.27Å; K344-L346 PolarHBondContact O-N 2.9Å; L346-R348 PolarHBondContact O-N 3.43Å
347	G	49.1	Very low	62.7	Low	67 Å²	67	82.7 Å²	82.7	69%	0.691	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	11.2	-180	0	0	0	0	0	115.1	S343 K344 K349	S343-G347 PolarHBondContact O-N 2.83Å; K344-G347 PolarHBondContact O-N 3.4Å; G347-K349 PolarHBondContact O-N 2.99Å
348	R	47.8	Very low	62.8	Low	187 Å²	187	82.8 Å²	82.8	71%	0.706	42%	0.421	S	S	*	.			trans	-75.4	121.5	173.3	-79.2	-176.7	169.4	176.7	-3.5	109.5	S343 L346 S350	S343-R348 PolarHBondContact O-N 2.88Å; L346-R348 PolarHBondContact O-N 3.43Å; R348-S350 PolarHBondContact O-N 2.92Å
349	K	42.9	Very low	62.7	Low	196 Å²	196	82.5 Å²	82.5	85%	0.852	42%	0.422	S	S	*	.			trans	-68	122.5	158.6	-70.5	-177	175.5	-177.2	0	107.5	G347 E351	G347-K349 PolarHBondContact O-N 2.99Å; K349-E351 PolarHBondContact O-N 3.05Å
350	S	43.9	Very low	62.8	Low	62 Å²	62	83.4 Å²	83.4	43%	0.434	43%	0.426	S	S	.	.			trans	-81.9	113.4	169.8	-147.2	0	0	0	0	109	R348 D352	R348-S350 PolarHBondContact O-N 2.92Å; S350-D352 WeakPolarHBondContact CB-OD2 3.28Å; S350-D352 PolarHBondContact O-N 2.98Å; S350-D352 PolarHBondContact OG-OD2 2.84Å
351	E	42.9	Very low	63.1	Low	183 Å²	183	82.5 Å²	82.5	86%	0.855	43%	0.426	S	S	*	.			trans	-81.6	50.5	168.4	-65	-170.4	146.6	0	0	110.3	K349 V353	K349-E351 PolarHBondContact O-N 3.05Å; E351-V353 PolarHBondContact O-N 3.22Å
352	D	44.3	Very low	63.7	Low	62 Å²	62	83.9 Å²	83.9	33%	0.332	44%	0.436	S	S	.	.			trans	-75.5	104	176.7	-88.5	-52.2	0	0	0	110.3	H23 R340 S350 N354	H23-D352 PolarHBondContact NE2-O 2.84Å; R340-D352 IonicContact NH2-OD2 2.7Å; R340-D352 PolarHBondContact NH2-OD2 2.84Å; S350-D352 WeakPolarHBondContact CB-OD2 3.28Å; S350-D352 PolarHBondContact O-N 2.98Å; S350-D352 PolarHBondContact OG-OD2 2.84Å; D352-N354 PolarHBondContact O-N 2.89Å
353	V	44.7	Very low	64.4	Low	132 Å²	132	81.3 Å²	81.3	80%	0.8	42%	0.423	S	S	*	.			trans	-80.2	-4.1	174.5	-170.7	0	0	0	0	111.7	E351	E351-V353 PolarHBondContact O-N 3.22Å
354	N	48.9	Very low	65.1	Low	52 Å²	52	84.9 Å²	84.9	28%	0.278	44%	0.436	S	S	.	.			trans	-68.7	133.4	-177.3	-101.8	1.2	0	0	0	113.2	D352 N360	D352-N354 PolarHBondContact O-N 2.89Å; N354-N360 PolarHBondContact ND2-ND2 3.41Å
355	H	61.6	Low	65.8	Low	122 Å²	122	80.3 Å²	80.3	57%	0.565	42%	0.42	S	S	*	.	S	Bend	trans	-77.7	-24.3	-180	-64.9	-69.4	0	0	0	114.5	P159	P159-H355 HydrophobicContact CB-CB 4.11Å
356	N	73.5	Confident	66.7	Low	7 Å²	7	76.4 Å²	76.4	4%	0.037	41%	0.405	C	S	.	.	S	Bend	trans	-106.4	125.1	176.9	178.3	-13.7	0	0	0	109.2	P159 L161 T162 F358 A359 H375	P159-N356 WeakPolarHBondContact O-CA 3.35Å; P159-N356 WeakPolarHBondContact O-CB 3.38Å; L161-N356 PolarHBondContact O-ND2 3.35Å; T162-N356 PolarHBondContact OG1-ND2 3.42Å; T162-N356 PolarHBondContact OG1-OD1 3.17Å; N356-F358 PolarHBondContact O-N 3.49Å; N356-F358 PolarHBondContact OD1-N 3.34Å; N356-A359 HydrophobicContact CB-CB 4.01Å; N356-A359 PolarHBondContact O-N 3.01Å; N356-H375 PolarHBondContact ND2-O 3.32Å
357	P	75.7	Confident	67.1	Low	25 Å²	25	71.1 Å²	71.1	16%	0.162	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11	-179.4	28.3	-36.1	0	0	0	115.1	P144	P144-P357 HydrophobicContact CB-CG 4.46Å; P144-P357 HydrophobicContact CG-CG 4.22Å
358	F	86.6	Confident	68.4	Low	1 Å²	1	69.6 Å²	69.6	0%	0.004	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-0.7	178.7	-50.4	-72.3	0	0	0	114.1	V119 P144 I146 T162 L332 F333 V336 N356 V361 L372	V119-F358 HydrophobicContact CG2-CE2 4.49Å; V119-F358 HydrophobicContact CG2-CZ 4.23Å; P144-F358 HydrophobicContact CB-CE2 3.68Å; P144-F358 HydrophobicContact CB-CZ 4.39Å; I146-F358 HydrophobicContact CD1-CD2 4.47Å; I146-F358 HydrophobicContact CD1-CE1 4.1Å; I146-F358 HydrophobicContact CD1-CE2 4.01Å; I146-F358 HydrophobicContact CD1-CZ 3.83Å; I146-F358 HydrophobicContact CG1-CD2 4.23Å; I146-F358 HydrophobicContact CG1-CE2 3.92Å; I146-F358 HydrophobicContact CG1-CZ 4.26Å; T162-F358 HydrophobicContact CG2-CB 3.85Å; T162-F358 HydrophobicContact CG2-CG 4.46Å; T162-F358 WeakPolarHBondContact OG1-CD2 3.21Å; L332-F358 HydrophobicContact CD1-CD1 4.39Å; L332-F358 HydrophobicContact CD2-CB 4.15Å; L332-F358 HydrophobicContact CD2-CD1 4.17Å; L332-F358 HydrophobicContact CD2-CG 4.25Å; L332-F358 HydrophobicContact CG-CB 4.48Å; L332-F358 HydrophobicContact CG-CD1 3.89Å; L332-F358 HydrophobicContact CG-CG 4.43Å; F333-F358 HydrophobicContact CD2-CE1 4.03Å; F333-F358 AromaticContact CD2-CZ 3.94Å; F333-F358 HydrophobicContact CD2-CZ 3.94Å; V336-F358 HydrophobicContact CB-CD1 4.16Å; V336-F358 HydrophobicContact CB-CE1 4.15Å; V336-F358 HydrophobicContact CG1-CD1 4.32Å; V336-F358 HydrophobicContact CG1-CE1 4.26Å; V336-F358 HydrophobicContact CG2-CD1 3.86Å; V336-F358 HydrophobicContact CG2-CE1 4.36Å; N356-F358 PolarHBondContact O-N 3.49Å; N356-F358 PolarHBondContact OD1-N 3.34Å; F358-V361 WeakPolarHBondContact O-CB 3.15Å; F358-V361 WeakPolarHBondContact O-CG2 3.44Å; F358-L372 HydrophobicContact CB-CD1 4.33Å; F358-L372 VanDerWaalsContact O-CD1 3.28Å; F358-L372 WeakPolarHBondContact O-CD1 3.46Å
359	A	84.4	Confident	70.1	Confident	9 Å²	9	65.8 Å²	65.8	7%	0.074	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	145.1	179	0	0	0	0	0	112.2	N356 V361 D373	N356-A359 HydrophobicContact CB-CB 4.01Å; N356-A359 PolarHBondContact O-N 3.01Å; A359-V361 PolarHBondContact O-N 2.76Å; A359-D373 WeakPolarHBondContact CA-O 3.13Å; A359-D373 WeakPolarHBondContact CB-O 3.29Å
360	N	85.3	Confident	72.1	Confident	100 Å²	100	56.6 Å²	56.6	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	20.3	-174.4	-52.6	-32.9	0	0	0	115.2	N354 L372 D373 K374	N354-N360 PolarHBondContact ND2-ND2 3.41Å; N360-L372 WeakPolarHBondContact CA-O 3.47Å; N360-L372 PolarHBondContact N-O 2.8Å; N360-L372 VanDerWaalsContact N-O 3.12Å; N360-D373 PolarHBondContact N-O 2.86Å; N360-K374 VanDerWaalsContact OD1-CA 3.26Å; N360-K374 WeakPolarHBondContact OD1-CA 3.48Å; N360-K374 PolarHBondContact OD1-N 2.89Å
361	V	86.6	Confident	74.2	Confident	25 Å²	25	55.7 Å²	55.7	15%	0.152	31%	0.306	C	S	.	.			trans	-92.6	143.3	178.2	-178.8	0	0	0	0	111	L332 V336 F358 A359 I363 L372	L332-V361 HydrophobicContact CD1-CB 4.03Å; L332-V361 HydrophobicContact CD1-CG1 3.63Å; V336-V361 HydrophobicContact CG2-CG1 4.1Å; V336-V361 HydrophobicContact CG2-CG2 3.93Å; F358-V361 WeakPolarHBondContact O-CB 3.15Å; F358-V361 WeakPolarHBondContact O-CG2 3.44Å; A359-V361 PolarHBondContact O-N 2.76Å; V361-I363 HydrophobicContact CG1-CG2 4.1Å; V361-L372 PolarHBondContact O-N 2.73Å
362	T	88.2	Confident	76.5	Confident	73 Å²	73	47.1 Å²	47.1	45%	0.448	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135	174	57.9	0	0	0	0	111.4	Q335 V370 V371	Q335-T362 PolarHBondContact NE2-O 2.98Å; T362-V370 VanDerWaalsContact CA-O 3.28Å; T362-V370 WeakPolarHBondContact CA-O 3.39Å; T362-V371 HydrophobicContact CG2-CB 4.41Å; T362-V371 HydrophobicContact CG2-CG1 4.2Å; T362-V371 HydrophobicContact CG2-CG2 4.04Å
363	I	89.2	Confident	78.6	Confident	7 Å²	7	45 Å²	45	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.2	179.1	70	161.7	0	0	0	112.5	D328 L331 L332 V361 V370	D328-I363 HydrophobicContact CB-CD1 4.07Å; D328-I363 WeakPolarHBondContact O-CD1 3.35Å; L331-I363 HydrophobicContact CB-CD1 4.15Å; L332-I363 HydrophobicContact CB-CD1 4Å; L332-I363 HydrophobicContact CD1-CG2 3.96Å; V361-I363 HydrophobicContact CG1-CG2 4.1Å; I363-V370 HydrophobicContact CG1-CB 3.71Å; I363-V370 HydrophobicContact CG1-CG1 4.35Å; I363-V370 HydrophobicContact CG1-CG2 4.1Å; I363-V370 PolarHBondContact N-O 3.47Å; I363-V370 PolarHBondContact O-N 3.44Å
364	E	86	Confident	80.6	Confident	112 Å²	112	45.3 Å²	45.3	52%	0.523	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	100.6	169	-74.9	-67.1	178.6	0	0	110.6	H369	E364-H369 IonicContact OE1-CD2 3.24Å; E364-H369 PolarHBondContact OE1-CD2 3.19Å
365	G	80.9	Confident	82.5	Confident	14 Å²	14	45.4 Å²	45.4	14%	0.144	24%	0.244	C	C	.	.			trans	-90.1	-160.1	-171.6	0	0	0	0	0	115.3	K65 D328 G368	K65-G365 PolarHBondContact NZ-O 3.49Å; D328-G365 WeakPolarHBondContact OD1-CA 3.39Å; G365-G368 PolarHBondContact N-O 3.4Å
366	M	79	Confident	83.7	Confident	46 Å²	46	39.6 Å²	39.6	23%	0.227	22%	0.217	C	C	.	.	S	Bend	trans	-90.9	-32.9	159.5	176.2	-178.3	-72.8	0	0	109.6	I319 A324 H327 D328 G368	I319-M366 HydrophobicContact CG2-CG 4.19Å; I319-M366 HydrophobicContact CG2-SD 3.7Å; A324-M366 HydrophobicContact CB-CB 4.23Å; A324-M366 HydrophobicContact CB-CG 4.05Å; A324-M366 HydrophobicContact CB-SD 4.21Å; H327-M366 VanDerWaalsContact CE1-CB 3.48Å; H327-M366 WeakPolarHBondContact CE1-CB 3.48Å; H327-M366 PolarHBondContact CE1-N 2.87Å; H327-M366 WeakPolarHBondContact ND1-CB 3.38Å; D328-M366 PolarHBondContact OD1-N 3.04Å; D328-M366 PolarHBondContact OD2-N 2.89Å; M366-G368 PolarHBondContact O-N 2.93Å; M366-G368 VanDerWaalsContact O-N 3.15Å
367	G	67.2	Low	84.6	Confident	11 Å²	11	39.5 Å²	39.5	11%	0.113	22%	0.216	C	C	.	.	S	Bend	trans	-79.5	25.7	171.1	0	0	0	0	0	114.1	D328 R378	D328-G367 WeakPolarHBondContact OD2-CA 3.27Å; D328-G367 PolarHBondContact OD2-N 3.34Å; G367-R378 PolarHBondContact O-NH2 3.28Å
368	G	77.7	Confident	85.2	Confident	35 Å²	35	39.3 Å²	39.3	36%	0.361	21%	0.213	S	C	.	.	S	Bend	trans	75.9	-156.8	-175.1	0	0	0	0	0	114.3	G365 M366 V370	G365-G368 PolarHBondContact N-O 3.4Å; M366-G368 PolarHBondContact O-N 2.93Å; M366-G368 VanDerWaalsContact O-N 3.15Å; G368-V370 PolarHBondContact O-N 2.99Å
369	H	83.4	Confident	85.4	Confident	108 Å²	108	40.4 Å²	40.4	50%	0.5	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	121.1	175.3	-178.7	-96.5	0	0	0	110.3	E364 V371	E364-H369 IonicContact OE1-CD2 3.24Å; E364-H369 PolarHBondContact OE1-CD2 3.19Å; H369-V371 WeakPolarHBondContact CE1-CG2 3.26Å
370	V	84.1	Confident	85.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.8	-179.1	-177.8	0	0	0	0	108.9	T362 I363 G368 L372 R378	T362-V370 VanDerWaalsContact CA-O 3.28Å; T362-V370 WeakPolarHBondContact CA-O 3.39Å; I363-V370 HydrophobicContact CG1-CB 3.71Å; I363-V370 HydrophobicContact CG1-CG1 4.35Å; I363-V370 HydrophobicContact CG1-CG2 4.1Å; I363-V370 PolarHBondContact N-O 3.47Å; I363-V370 PolarHBondContact O-N 3.44Å; G368-V370 PolarHBondContact O-N 2.99Å; V370-L372 HydrophobicContact CG1-CD2 4.16Å; V370-L372 HydrophobicContact CG1-CG 4.47Å; V370-R378 HydrophobicContact CG1-CG 4.05Å
371	V	89.1	Confident	85.8	Confident	44 Å²	44	39.1 Å²	39.1	27%	0.267	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.4	170.7	-177.7	0	0	0	0	108	T362 H369 R378 D379	T362-V371 HydrophobicContact CG2-CB 4.41Å; T362-V371 HydrophobicContact CG2-CG1 4.2Å; T362-V371 HydrophobicContact CG2-CG2 4.04Å; H369-V371 WeakPolarHBondContact CE1-CG2 3.26Å; V371-R378 WeakPolarHBondContact O-CA 3.39Å; V371-D379 HydrophobicContact CB-CB 4.29Å; V371-D379 HydrophobicContact CG1-CB 4.43Å; V371-D379 PolarHBondContact O-N 3.12Å
372	L	89.8	Confident	86.2	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.4	175	-60	176.5	0	0	0	110.2	T162 L332 F358 N360 V361 V370 R378	T162-L372 HydrophobicContact CG2-CD1 3.8Å; T162-L372 HydrophobicContact CG2-CD2 4.44Å; L332-L372 HydrophobicContact CD1-CD1 3.67Å; L332-L372 HydrophobicContact CD2-CD1 3.55Å; L332-L372 HydrophobicContact CG-CD1 4.26Å; F358-L372 HydrophobicContact CB-CD1 4.33Å; F358-L372 VanDerWaalsContact O-CD1 3.28Å; F358-L372 WeakPolarHBondContact O-CD1 3.46Å; N360-L372 WeakPolarHBondContact CA-O 3.47Å; N360-L372 PolarHBondContact N-O 2.8Å; N360-L372 VanDerWaalsContact N-O 3.12Å; V361-L372 PolarHBondContact O-N 2.73Å; V370-L372 HydrophobicContact CG1-CD2 4.16Å; V370-L372 HydrophobicContact CG1-CG 4.47Å; L372-R378 HydrophobicContact CD2-CB 4.07Å
373	D	89.2	Confident	86.4	Confident	18 Å²	18	34.8 Å²	34.8	10%	0.096	18%	0.184	C	C	.	.			trans	-72.8	179.6	178.9	81	12.4	0	0	0	112.6	R169 K170 A359 N360 H375 G376 D377	R169-D373 IonicContact CZ-OD2 2.92Å; R169-D373 IonicContact NH1-OD2 2.64Å; R169-D373 IonicContact NH2-OD1 3.33Å; R169-D373 IonicContact NH2-OD2 3.86Å; R169-D373 PolarHBondContact NH2-OD2 3.3Å; K170-D373 IonicContact NZ-OD2 3.48Å; K170-D373 PolarHBondContact NZ-OD2 2.87Å; A359-D373 WeakPolarHBondContact CA-O 3.13Å; A359-D373 WeakPolarHBondContact CB-O 3.29Å; N360-D373 PolarHBondContact N-O 2.86Å; D373-H375 PolarHBondContact O-N 3.2Å; D373-H375 WeakPolarHBondContact OD1-CA 3.33Å; D373-H375 WeakPolarHBondContact OD1-CB 3.18Å; D373-H375 IonicContact OD1-CD2 3.05Å; D373-H375 PolarHBondContact OD1-N 3.06Å; D373-G376 PolarHBondContact O-N 2.76Å; D373-G376 PolarHBondContact OD1-N 3.38Å; D373-D377 PolarHBondContact N-O 3.44Å; D373-D377 PolarHBondContact OD1-N 2.85Å
374	K	86.9	Confident	86.5	Confident	137 Å²	137	34.4 Å²	34.4	60%	0.596	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.2	-179.8	72.1	-170.3	-179.6	-171.3	0	115.4	N360	N360-K374 VanDerWaalsContact OD1-CA 3.26Å; N360-K374 WeakPolarHBondContact OD1-CA 3.48Å; N360-K374 PolarHBondContact OD1-N 2.89Å
375	H	88.1	Confident	86.8	Confident	55 Å²	55	29.2 Å²	29.2	26%	0.255	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-12.4	174.6	-57.6	-63.6	0	0	0	112.6	Y157 N356 D373	Y157-H375 AromaticContact CD1-CD2 3.82Å; Y157-H375 AromaticContact CD1-CE1 3.71Å; Y157-H375 AromaticContact CD1-CG 3.93Å; Y157-H375 AromaticContact CD1-ND1 3.87Å; Y157-H375 AromaticContact CD1-NE2 3.69Å; Y157-H375 AromaticContact CE1-CD2 3.96Å; Y157-H375 AromaticContact CE1-NE2 3.78Å; N356-H375 PolarHBondContact ND2-O 3.32Å; D373-H375 PolarHBondContact O-N 3.2Å; D373-H375 WeakPolarHBondContact OD1-CA 3.33Å; D373-H375 WeakPolarHBondContact OD1-CB 3.18Å; D373-H375 IonicContact OD1-CD2 3.05Å; D373-H375 PolarHBondContact OD1-N 3.06Å
376	G	87.9	Confident	87.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	91.7	16.5	-172.9	0	0	0	0	0	114	T162 R163 D373	T162-G376 CarbonylContact C-O 3.51Å; T162-G376 WeakPolarHBondContact CA-O 3.24Å; T162-G376 VanDerWaalsContact CG2-O 3.23Å; T162-G376 WeakPolarHBondContact CG2-O 2.9Å; R163-G376 PolarHBondContact N-O 3.45Å; D373-G376 PolarHBondContact O-N 2.76Å; D373-G376 PolarHBondContact OD1-N 3.38Å
377	D	91.1	Very high	87.9	Confident	4 Å²	4	27 Å²	27	2%	0.021	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-90.5	136.4	172	-69.9	-30.2	0	0	0	110.2	R163 P167 R169 D373 D379	R163-D377 IonicContact CZ-OD1 3.09Å; R163-D377 IonicContact CZ-OD2 3.81Å; R163-D377 IonicContact NE-OD1 2.96Å; R163-D377 PolarHBondContact NE-OD1 3.47Å; R163-D377 IonicContact NH2-OD1 3.87Å; R163-D377 PolarHBondContact NH2-OD1 2.76Å; R163-D377 IonicContact NH2-OD2 3.77Å; R163-D377 PolarHBondContact NH2-OD2 2.85Å; P167-D377 HydrophobicContact CG-CB 4.08Å; R169-D377 IonicContact CZ-OD2 3.64Å; R169-D377 IonicContact NE-OD2 3.25Å; R169-D377 PolarHBondContact NE-OD2 3.06Å; R169-D377 IonicContact NH2-OD2 2.75Å; R169-D377 PolarHBondContact NH2-OD2 3.19Å; D373-D377 PolarHBondContact N-O 3.44Å; D373-D377 PolarHBondContact OD1-N 2.85Å; D377-D379 PolarHBondContact O-N 2.93Å
378	R	89.7	Confident	88.9	Confident	22 Å²	22	26.6 Å²	26.6	8%	0.083	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	127.7	175.7	-174	176.7	177.6	173.7	2.7	112.4	R163 T164 G367 V370 V371 L372 V380	R163-R378 WeakPolarHBondContact O-CB 3.07Å; R163-R378 PolarHBondContact O-N 2.87Å; T164-R378 WeakPolarHBondContact O-CD 3.46Å; T164-R378 PolarHBondContact O-NH1 2.89Å; G367-R378 PolarHBondContact O-NH2 3.28Å; V370-R378 HydrophobicContact CG1-CG 4.05Å; V371-R378 WeakPolarHBondContact O-CA 3.39Å; L372-R378 HydrophobicContact CD2-CB 4.07Å; R378-V380 HydrophobicContact CB-CG2 4.48Å; R378-V380 HydrophobicContact CG-CG2 3.71Å
379	D	90.2	Very high	89.4	Confident	24 Å²	24	29.3 Å²	29.3	13%	0.128	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.2	162.4	-73.8	-34.1	0	0	0	109.5	K170 V371 D377 S403	K170-D379 IonicContact NZ-OD1 3.62Å; K170-D379 PolarHBondContact NZ-OD1 2.85Å; V371-D379 HydrophobicContact CB-CB 4.29Å; V371-D379 HydrophobicContact CG1-CB 4.43Å; V371-D379 PolarHBondContact O-N 3.12Å; D377-D379 PolarHBondContact O-N 2.93Å; D379-S403 WeakPolarHBondContact OD2-CB 3.47Å
380	V	87.6	Confident	89.4	Confident	11 Å²	11	32.3 Å²	32.3	7%	0.067	16%	0.16	C	C	.	.			trans	-139.2	148.6	178.7	-161.7	0	0	0	0	110.9	P166 L302 R378 F382 S402	P166-V380 HydrophobicContact CB-CG2 4.03Å; P166-V380 HydrophobicContact CG-CG2 4.14Å; L302-V380 HydrophobicContact CD2-CB 4.48Å; L302-V380 HydrophobicContact CD2-CG1 3.89Å; R378-V380 HydrophobicContact CB-CG2 4.48Å; R378-V380 HydrophobicContact CG-CG2 3.71Å; V380-F382 HydrophobicContact CB-CE2 4.35Å; V380-F382 WeakPolarHBondContact O-CD2 3.39Å; V380-S402 PolarHBondContact N-OG 3.36Å; V380-S402 WeakPolarHBondContact O-CB 3.25Å; V380-S402 PolarHBondContact O-N 3.4Å; V380-S402 PolarHBondContact O-OG 2.7Å
381	N	90.9	Very high	89.5	Confident	70 Å²	70	35.3 Å²	35.3	37%	0.374	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.5	171.2	-71.3	0.8	0	0	0	109	P303 V399 F400 D401	P303-N381 WeakPolarHBondContact CD-O 3.28Å; N381-V399 HydrophobicContact CB-CG1 3.72Å; N381-F400 CarbonylContact C-O 3.54Å; N381-F400 WeakPolarHBondContact CA-O 3.48Å; N381-D401 WeakPolarHBondContact OD1-CA 3.48Å
382	F	93.2	Very high	89.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123	-179.5	-64.1	-93.9	0	0	0	110.1	P166 K170 I171 L174 L279 V300 L302 V380 V399 F400	P166-F382 HydrophobicContact CB-CE1 4.35Å; P166-F382 HydrophobicContact CB-CZ 3.81Å; P166-F382 HydrophobicContact CG-CE1 4.29Å; P166-F382 HydrophobicContact CG-CZ 4.22Å; K170-F382 HydrophobicContact CB-CE2 4.12Å; K170-F382 HydrophobicContact CB-CZ 4.02Å; I171-F382 HydrophobicContact CD1-CD1 4.05Å; I171-F382 HydrophobicContact CD1-CE1 3.44Å; I171-F382 VanDerWaalsContact CD1-CE1 3.44Å; I171-F382 HydrophobicContact CD1-CZ 3.87Å; L174-F382 HydrophobicContact CD1-CB 3.42Å; L174-F382 VanDerWaalsContact CD1-CB 3.42Å; L174-F382 HydrophobicContact CD1-CD1 3.98Å; L174-F382 HydrophobicContact CD1-CD2 3.81Å; L174-F382 HydrophobicContact CD1-CG 3.46Å; L174-F382 VanDerWaalsContact CD1-CG 3.46Å; L279-F382 HydrophobicContact CD1-CE1 4.19Å; L279-F382 HydrophobicContact CD2-CD1 3.76Å; L279-F382 HydrophobicContact CD2-CE1 3.84Å; V300-F382 HydrophobicContact CG1-CB 4.33Å; V300-F382 HydrophobicContact CG1-CD1 4.38Å; L302-F382 HydrophobicContact CD2-CD1 3.65Å; L302-F382 HydrophobicContact CD2-CE1 3.59Å; L302-F382 HydrophobicContact CD2-CZ 4.44Å; V380-F382 HydrophobicContact CB-CE2 4.35Å; V380-F382 WeakPolarHBondContact O-CD2 3.39Å; F382-V399 CarbonylContact O-C 3.56Å; F382-V399 WeakPolarHBondContact O-CA 3.43Å; F382-F400 HydrophobicContact CD2-CD1 4.14Å; F382-F400 PolarHBondContact N-O 2.93Å; F382-F400 PolarHBondContact O-N 2.95Å
383	S	92.5	Very high	89.3	Confident	7 Å²	7	37.8 Å²	37.8	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.4	177.2	-64.9	0	0	0	0	110.4	Y285 T301	Y285-S383 WeakPolarHBondContact OH-CB 3.4Å; Y285-S383 PolarHBondContact OH-OG 3.28Å; Y285-S383 VanDerWaalsContact OH-OG 3.14Å; T301-S383 PolarHBondContact N-O 3.16Å; T301-S383 PolarHBondContact O-N 2.95Å
384	F	92.8	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.5	167.4	-78.4	-114.7	0	0	0	108.8	L174 F178 L298 V299 V300 T396 L397 L398 F400	L174-F384 HydrophobicContact CD1-CE2 4.01Å; L174-F384 HydrophobicContact CD1-CZ 4.43Å; L174-F384 HydrophobicContact CD2-CE2 4.08Å; L174-F384 HydrophobicContact CD2-CZ 3.68Å; L174-F384 HydrophobicContact CG-CE2 4.11Å; L174-F384 HydrophobicContact CG-CZ 4.19Å; F178-F384 HydrophobicContact CB-CZ 4.49Å; F178-F384 AromaticContact CD1-CE1 3.62Å; F178-F384 HydrophobicContact CD1-CE1 3.62Å; F178-F384 AromaticContact CD1-CZ 3.71Å; F178-F384 HydrophobicContact CD1-CZ 3.71Å; F178-F384 HydrophobicContact CD2-CZ 4.41Å; F178-F384 HydrophobicContact CE1-CD1 4.12Å; F178-F384 AromaticContact CE1-CE1 3.35Å; F178-F384 HydrophobicContact CE1-CE1 3.35Å; F178-F384 AromaticContact CE1-CZ 3.93Å; F178-F384 HydrophobicContact CE1-CZ 3.93Å; F178-F384 HydrophobicContact CE2-CE1 4.38Å; F178-F384 HydrophobicContact CG-CE1 4.23Å; F178-F384 AromaticContact CG-CZ 3.96Å; F178-F384 HydrophobicContact CG-CZ 3.96Å; F178-F384 HydrophobicContact CZ-CD1 4.15Å; F178-F384 AromaticContact CZ-CE1 3.78Å; F178-F384 HydrophobicContact CZ-CE1 3.78Å; F178-F384 HydrophobicContact CZ-CZ 4.39Å; L298-F384 HydrophobicContact CD1-CB 4.18Å; L298-F384 HydrophobicContact CD1-CD1 4.13Å; L298-F384 HydrophobicContact CD2-CD1 3.83Å; L298-F384 HydrophobicContact CD2-CE1 4.27Å; L298-F384 HydrophobicContact CG-CD1 3.84Å; V299-F384 CarbonylContact O-C 3.54Å; V299-F384 WeakPolarHBondContact O-CA 3.35Å; V300-F384 HydrophobicContact CG1-CE2 4.45Å; V300-F384 HydrophobicContact CG2-CD1 3.77Å; V300-F384 HydrophobicContact CG2-CD2 4.36Å; V300-F384 HydrophobicContact CG2-CE1 3.51Å; V300-F384 HydrophobicContact CG2-CE2 4.16Å; V300-F384 HydrophobicContact CG2-CG 4.22Å; V300-F384 HydrophobicContact CG2-CZ 3.75Å; F384-T396 CarbonylContact O-C 3.57Å; F384-T396 WeakPolarHBondContact O-CA 3.26Å; F384-L397 PolarHBondContact O-N 3.45Å; F384-L398 HydrophobicContact CB-CD1 3.62Å; F384-L398 HydrophobicContact CB-CG 3.89Å; F384-L398 HydrophobicContact CD1-CD1 4.19Å; F384-L398 HydrophobicContact CD2-CD1 3.27Å; F384-L398 HydrophobicContact CD2-CG 4.43Å; F384-L398 HydrophobicContact CE2-CD1 3.85Å; F384-L398 HydrophobicContact CG-CD1 3.44Å; F384-L398 VanDerWaalsContact CG-CD1 3.44Å; F384-L398 HydrophobicContact CG-CG 4.2Å; F384-L398 PolarHBondContact N-O 3.4Å; F384-F400 HydrophobicContact CE2-CB 4.47Å
385	I	92.1	Very high	89.5	Confident	3 Å²	3	34 Å²	34	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.9	-178.6	-62.9	-178.5	0	0	0	109.5	Y284 Y285 V299 T301 Y394 E395	Y284-I385 HydrophobicContact CG-CD1 4.38Å; Y285-I385 HydrophobicContact CD1-CD1 4.49Å; Y285-I385 HydrophobicContact CE1-CD1 3.91Å; Y285-I385 HydrophobicContact CE2-CD1 4.19Å; V299-I385 HydrophobicContact CB-CB 4.37Å; V299-I385 PolarHBondContact N-O 2.97Å; V299-I385 PolarHBondContact O-N 2.91Å; T301-I385 HydrophobicContact CG2-CD1 3.47Å; T301-I385 VanDerWaalsContact CG2-CD1 3.47Å; T301-I385 HydrophobicContact CG2-CG1 4.07Å; I385-Y394 HydrophobicContact CG2-CD1 4Å; I385-Y394 HydrophobicContact CG2-CG 4.17Å; I385-E395 WeakPolarHBondContact CA-O 3.49Å
386	Y	91.9	Very high	89.6	Confident	6 Å²	6	33 Å²	33	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.7	177.1	84.1	-72.8	0	0	0	110.8	E395 L397 P414 A415 L416	Y386-E395 HydrophobicContact CD1-CB 4.03Å; Y386-E395 WeakPolarHBondContact CD1-O 3.14Å; Y386-E395 HydrophobicContact CE1-CB 3.45Å; Y386-E395 VanDerWaalsContact CE1-CB 3.45Å; Y386-E395 PolarHBondContact N-O 2.75Å; Y386-E395 PolarHBondContact O-N 3.05Å; Y386-E395 PolarHBondContact OH-OE2 3.11Å; Y386-L397 HydrophobicContact CD1-CB 3.8Å; Y386-L397 HydrophobicContact CD1-CD1 4.13Å; Y386-L397 HydrophobicContact CE1-CB 4.49Å; Y386-L397 HydrophobicContact CE1-CD1 4.34Å; Y386-L397 HydrophobicContact CG-CB 4.47Å; Y386-P414 HydrophobicContact CE1-CB 4.3Å; Y386-P414 HydrophobicContact CE2-CB 4.31Å; Y386-A415 HydrophobicContact CE2-CB 4.49Å; Y386-A415 PolarHBondContact OH-N 2.9Å; Y386-L416 HydrophobicContact CD2-CD2 3.48Å; Y386-L416 VanDerWaalsContact CD2-CD2 3.48Å; Y386-L416 HydrophobicContact CD2-CG 4.46Å; Y386-L416 HydrophobicContact CE2-CD2 3.93Å; Y386-L416 HydrophobicContact CE2-CG 4.45Å; Y386-L416 HydrophobicContact CG-CD2 4.06Å
387	T	91	Very high	89.7	Confident	8 Å²	8	33 Å²	33	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	117	170.9	-59.7	0	0	0	0	109.8	A290 M294 Q295 V389	A290-T387 HydrophobicContact CB-CG2 3.6Å; M294-T387 WeakPolarHBondContact O-CB 3.49Å; M294-T387 PolarHBondContact O-OG1 3.2Å; Q295-T387 HydrophobicContact CG-CG2 4.03Å; T387-V389 PolarHBondContact O-N 3.03Å
388	S	88.8	Confident	89.7	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.7	-177.8	171.2	0	0	0	0	112	K390 T391 G392 K393 E395 A415	S388-K390 PolarHBondContact O-N 3.41Å; S388-K390 VanDerWaalsContact O-N 3.16Å; S388-T391 VanDerWaalsContact CB-OG1 3.23Å; S388-T391 WeakPolarHBondContact CB-OG1 3.34Å; S388-T391 PolarHBondContact O-N 2.92Å; S388-T391 VanDerWaalsContact O-N 3.16Å; S388-T391 PolarHBondContact OG-OG1 3.21Å; S388-T391 VanDerWaalsContact OG-OG1 3.07Å; S388-G392 WeakPolarHBondContact O-CA 3.48Å; S388-G392 PolarHBondContact O-N 3.47Å; S388-K393 PolarHBondContact N-O 3Å; S388-E395 WeakPolarHBondContact CB-OE1 3.49Å; S388-E395 WeakPolarHBondContact CB-OE2 3.47Å; S388-E395 VanDerWaalsContact OG-CD 3.24Å; S388-E395 PolarHBondContact OG-OE1 3.22Å; S388-E395 PolarHBondContact OG-OE2 3.08Å; S388-A415 WeakPolarHBondContact OG-CB 2.88Å
389	V	86.3	Confident	89.8	Confident	91 Å²	91	32.9 Å²	32.9	55%	0.552	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-16	-173.6	-177.9	0	0	0	0	112.6	T387 A415	T387-V389 PolarHBondContact O-N 3.03Å; V389-A415 PolarHBondContact N-O 3.04Å
390	K	85.3	Confident	89.9	Confident	171 Å²	171	31.8 Å²	31.8	74%	0.743	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-28.4	175.2	-71.3	174	-169.7	162	0	113.7	S388 A415	S388-K390 PolarHBondContact O-N 3.41Å; S388-K390 VanDerWaalsContact O-N 3.16Å; K390-A415 HydrophobicContact CB-CB 4.16Å; K390-A415 HydrophobicContact CD-CB 3.77Å; K390-A415 HydrophobicContact CG-CB 3.87Å
391	T	85.8	Confident	90.1	Very high	66 Å²	66	31.9 Å²	31.9	41%	0.405	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-21	-170.2	59.3	0	0	0	0	113.1	S388 K393 E395	S388-T391 VanDerWaalsContact CB-OG1 3.23Å; S388-T391 WeakPolarHBondContact CB-OG1 3.34Å; S388-T391 PolarHBondContact O-N 2.92Å; S388-T391 VanDerWaalsContact O-N 3.16Å; S388-T391 PolarHBondContact OG-OG1 3.21Å; S388-T391 VanDerWaalsContact OG-OG1 3.07Å; T391-K393 PolarHBondContact O-N 2.94Å; T391-K393 WeakPolarHBondContact OG1-CB 3.37Å; T391-K393 PolarHBondContact OG1-N 3.24Å; T391-E395 PolarHBondContact OG1-OE1 3.01Å
392	G	85	Confident	90.1	Very high	28 Å²	28	28.6 Å²	28.6	29%	0.289	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	15.2	-169.5	0	0	0	0	0	113.2	A290 S388	A290-G392 PolarHBondContact N-O 3.49Å; S388-G392 WeakPolarHBondContact O-CA 3.48Å; S388-G392 PolarHBondContact O-N 3.47Å
393	K	89.6	Confident	89.8	Confident	70 Å²	70	31.6 Å²	31.6	30%	0.304	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	156.4	-171.3	-64.4	-171	173.4	-168.8	0	113.5	E288 M289 S388 T391	E288-K393 HydrophobicContact CB-CD 4.16Å; E288-K393 WeakPolarHBondContact O-CA 3.42Å; E288-K393 WeakPolarHBondContact O-CB 3.47Å; E288-K393 WeakPolarHBondContact O-CG 3.3Å; E288-K393 WeakPolarHBondContact OE2-CE 3.28Å; E288-K393 IonicContact OE2-NZ 2.73Å; E288-K393 PolarHBondContact OE2-NZ 3.45Å; M289-K393 HydrophobicContact SD-CG 3.94Å; S388-K393 PolarHBondContact N-O 3Å; T391-K393 PolarHBondContact O-N 2.94Å; T391-K393 WeakPolarHBondContact OG1-CB 3.37Å; T391-K393 PolarHBondContact OG1-N 3.24Å
394	Y	90.3	Very high	89.5	Confident	30 Å²	30	37.2 Å²	37.2	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.5	163.4	-65.7	-54.1	0	0	0	109.8	Y284 N287 E288 A290 M294 I385	Y284-Y394 HydrophobicContact CD1-CD1 4.26Å; Y284-Y394 HydrophobicContact CD1-CD2 4.14Å; Y284-Y394 HydrophobicContact CD1-CE1 4.02Å; Y284-Y394 AromaticContact CD1-CE2 3.89Å; Y284-Y394 HydrophobicContact CD1-CE2 3.89Å; Y284-Y394 HydrophobicContact CD1-CG 4.32Å; Y284-Y394 AromaticContact CD1-CZ 3.83Å; Y284-Y394 HydrophobicContact CE1-CE1 4.33Å; N287-Y394 WeakPolarHBondContact O-CD2 3.15Å; E288-Y394 PolarHBondContact O-N 3.27Å; E288-Y394 VanDerWaalsContact O-N 3.1Å; A290-Y394 HydrophobicContact CB-CD1 3.8Å; A290-Y394 HydrophobicContact CB-CD2 4.39Å; A290-Y394 HydrophobicContact CB-CE1 3.5Å; A290-Y394 HydrophobicContact CB-CE2 4.15Å; A290-Y394 HydrophobicContact CB-CG 4.23Å; M294-Y394 HydrophobicContact CB-CE1 4.16Å; M294-Y394 HydrophobicContact CE-CE1 4.37Å; M294-Y394 HydrophobicContact CG-CE1 4.43Å; I385-Y394 HydrophobicContact CG2-CD1 4Å; I385-Y394 HydrophobicContact CG2-CG 4.17Å
395	E	89.9	Confident	89.3	Confident	45 Å²	45	40.4 Å²	40.4	21%	0.21	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.5	178.2	-72.6	174.1	-156.9	0	0	109.5	I385 Y386 S388 T391 L397	I385-E395 WeakPolarHBondContact CA-O 3.49Å; Y386-E395 HydrophobicContact CD1-CB 4.03Å; Y386-E395 WeakPolarHBondContact CD1-O 3.14Å; Y386-E395 HydrophobicContact CE1-CB 3.45Å; Y386-E395 VanDerWaalsContact CE1-CB 3.45Å; Y386-E395 PolarHBondContact N-O 2.75Å; Y386-E395 PolarHBondContact O-N 3.05Å; Y386-E395 PolarHBondContact OH-OE2 3.11Å; S388-E395 WeakPolarHBondContact CB-OE1 3.49Å; S388-E395 WeakPolarHBondContact CB-OE2 3.47Å; S388-E395 VanDerWaalsContact OG-CD 3.24Å; S388-E395 PolarHBondContact OG-OE1 3.22Å; S388-E395 PolarHBondContact OG-OE2 3.08Å; T391-E395 PolarHBondContact OG1-OE1 3.01Å; E395-L397 PolarHBondContact O-N 2.81Å
396	T	90.4	Very high	89	Confident	36 Å²	36	47.6 Å²	47.6	22%	0.221	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.6	176	-52.6	0	0	0	0	110.5	F384 V399 T410 H411	F384-T396 CarbonylContact O-C 3.57Å; F384-T396 WeakPolarHBondContact O-CA 3.26Å; T396-V399 HydrophobicContact CG2-CG2 3.96Å; T396-T410 PolarHBondContact O-OG1 2.84Å; T396-H411 PolarHBondContact O-ND1 2.64Å
397	L	89.6	Confident	88.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-47.6	-179	-176.7	63.1	0	0	0	112.2	F185 L298 F384 Y386 E395 T410 H411 P414 L416 L422	F185-L397 HydrophobicContact CD2-CD1 4.14Å; F185-L397 HydrophobicContact CD2-CD2 4.38Å; F185-L397 HydrophobicContact CE1-CD1 4.43Å; F185-L397 HydrophobicContact CE2-CD1 3.73Å; F185-L397 HydrophobicContact CE2-CD2 3.79Å; F185-L397 HydrophobicContact CE2-CG 3.74Å; F185-L397 HydrophobicContact CZ-CD1 3.89Å; F185-L397 HydrophobicContact CZ-CG 3.97Å; L298-L397 HydrophobicContact CD1-CD2 3.7Å; F384-L397 PolarHBondContact O-N 3.45Å; Y386-L397 HydrophobicContact CD1-CB 3.8Å; Y386-L397 HydrophobicContact CD1-CD1 4.13Å; Y386-L397 HydrophobicContact CE1-CB 4.49Å; Y386-L397 HydrophobicContact CE1-CD1 4.34Å; Y386-L397 HydrophobicContact CG-CB 4.47Å; E395-L397 PolarHBondContact O-N 2.81Å; L397-T410 PolarHBondContact O-N 2.58Å; L397-T410 PolarHBondContact O-OG1 2.98Å; L397-H411 PolarHBondContact O-N 2.73Å; L397-P414 HydrophobicContact CD1-CB 3.55Å; L397-P414 HydrophobicContact CD1-CG 3.64Å; L397-L416 HydrophobicContact CD1-CD2 4.43Å; L397-L422 HydrophobicContact CD2-CD1 4.35Å
398	L	91.6	Very high	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	166.2	-176.2	55.8	86.8	0	0	0	110.5	F178 L183 F185 F384 T407 I408 T410	F178-L398 HydrophobicContact CE2-CD1 4.3Å; F178-L398 HydrophobicContact CE2-CD2 3.66Å; F178-L398 HydrophobicContact CZ-CD2 4.32Å; L183-L398 HydrophobicContact CD1-CD2 3.64Å; F185-L398 HydrophobicContact CE2-CD2 3.97Å; F185-L398 HydrophobicContact CZ-CD2 3.99Å; F384-L398 HydrophobicContact CB-CD1 3.62Å; F384-L398 HydrophobicContact CB-CG 3.89Å; F384-L398 HydrophobicContact CD1-CD1 4.19Å; F384-L398 HydrophobicContact CD2-CD1 3.27Å; F384-L398 HydrophobicContact CD2-CG 4.43Å; F384-L398 HydrophobicContact CE2-CD1 3.85Å; F384-L398 HydrophobicContact CG-CD1 3.44Å; F384-L398 VanDerWaalsContact CG-CD1 3.44Å; F384-L398 HydrophobicContact CG-CG 4.2Å; F384-L398 PolarHBondContact N-O 3.4Å; L398-T407 HydrophobicContact CB-CG2 3.89Å; L398-T407 HydrophobicContact CD1-CG2 3.72Å; L398-T407 HydrophobicContact CD2-CG2 4.2Å; L398-T407 HydrophobicContact CG-CG2 4.14Å; L398-I408 WeakPolarHBondContact CA-O 3.34Å; L398-T410 WeakPolarHBondContact CA-OG1 3.1Å; L398-T410 PolarHBondContact N-OG1 2.75Å
399	V	92.1	Very high	88.5	Confident	23 Å²	23	54.4 Å²	54.4	14%	0.139	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.4	178	178.5	0	0	0	0	110.1	N381 F382 T396 T407 I408 T410	N381-V399 HydrophobicContact CB-CG1 3.72Å; F382-V399 CarbonylContact O-C 3.56Å; F382-V399 WeakPolarHBondContact O-CA 3.43Å; T396-V399 HydrophobicContact CG2-CG2 3.96Å; V399-T407 CarbonylContact O-C 3.57Å; V399-T407 WeakPolarHBondContact O-CA 3.25Å; V399-I408 PolarHBondContact N-O 3.09Å; V399-I408 PolarHBondContact O-N 3.06Å; V399-T410 HydrophobicContact CG2-CG2 3.99Å
400	F	92.4	Very high	88.3	Confident	1 Å²	1	53 Å²	53	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.8	175	176.6	-99.6	0	0	0	111.2	L174 N177 N381 F382 F384 N405	L174-F400 VanDerWaalsContact CA-CE1 3.48Å; L174-F400 HydrophobicContact CB-CD1 3.7Å; L174-F400 HydrophobicContact CB-CE1 3.73Å; L174-F400 HydrophobicContact CB-CG 4.4Å; L174-F400 HydrophobicContact CB-CZ 4.45Å; L174-F400 HydrophobicContact CD1-CB 4.43Å; L174-F400 HydrophobicContact CD1-CD1 4.04Å; L174-F400 HydrophobicContact CG-CB 4.5Å; L174-F400 HydrophobicContact CG-CD1 3.93Å; L174-F400 HydrophobicContact CG-CE1 4.45Å; L174-F400 HydrophobicContact CG-CG 4.25Å; N177-F400 HydrophobicContact CB-CE2 3.7Å; N177-F400 HydrophobicContact CB-CZ 4.33Å; N381-F400 CarbonylContact C-O 3.54Å; N381-F400 WeakPolarHBondContact CA-O 3.48Å; F382-F400 HydrophobicContact CD2-CD1 4.14Å; F382-F400 PolarHBondContact N-O 2.93Å; F382-F400 PolarHBondContact O-N 2.95Å; F384-F400 HydrophobicContact CE2-CB 4.47Å; F400-N405 VanDerWaalsContact CE2-C 3.49Å; F400-N405 HydrophobicContact CZ-CB 4.26Å
401	D	90.9	Very high	87.8	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.064	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.8	172.5	176.6	-16.3	0	0	0	109.6	N381 S403 Q404 N405 R406	N381-D401 WeakPolarHBondContact OD1-CA 3.48Å; D401-S403 WeakPolarHBondContact OD1-CA 3.33Å; D401-S403 VanDerWaalsContact OD1-CB 3.32Å; D401-S403 WeakPolarHBondContact OD1-CB 3.36Å; D401-S403 PolarHBondContact OD1-N 2.91Å; D401-S403 PolarHBondContact OD1-OG 3.25Å; D401-S403 PolarHBondContact OD2-OG 3.04Å; D401-Q404 HydrophobicContact CB-CB 4.49Å; D401-Q404 PolarHBondContact OD1-N 3.04Å; D401-Q404 VanDerWaalsContact OD1-N 3.07Å; D401-Q404 PolarHBondContact OD2-NE2 2.89Å; D401-N405 VanDerWaalsContact O-CA 3.25Å; D401-N405 WeakPolarHBondContact O-CA 3.4Å; D401-N405 PolarHBondContact O-N 3.39Å; D401-R406 PolarHBondContact N-O 2.93Å; D401-R406 PolarHBondContact O-N 3.13Å
402	S	89.9	Confident	87	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.014	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.9	-179.3	61	0	0	0	0	115.3	V380	V380-S402 PolarHBondContact N-OG 3.36Å; V380-S402 WeakPolarHBondContact O-CB 3.25Å; V380-S402 PolarHBondContact O-N 3.4Å; V380-S402 PolarHBondContact O-OG 2.7Å
403	S	87.8	Confident	86.7	Confident	62 Å²	62	54.4 Å²	54.4	43%	0.434	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-39.4	168.6	76.3	0	0	0	0	111	D379 D401	D379-S403 WeakPolarHBondContact OD2-CB 3.47Å; D401-S403 WeakPolarHBondContact OD1-CA 3.33Å; D401-S403 VanDerWaalsContact OD1-CB 3.32Å; D401-S403 WeakPolarHBondContact OD1-CB 3.36Å; D401-S403 PolarHBondContact OD1-N 2.91Å; D401-S403 PolarHBondContact OD1-OG 3.25Å; D401-S403 PolarHBondContact OD2-OG 3.04Å
404	Q	86.5	Confident	86.5	Confident	126 Å²	126	51.4 Å²	51.4	59%	0.589	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-14	177.6	-67.2	-178	65.1	0	0	113.5	D401 R406	D401-Q404 HydrophobicContact CB-CB 4.49Å; D401-Q404 PolarHBondContact OD1-N 3.04Å; D401-Q404 VanDerWaalsContact OD1-N 3.07Å; D401-Q404 PolarHBondContact OD2-NE2 2.89Å; Q404-R406 HydrophobicContact CB-CB 4.03Å
405	N	87.2	Confident	86.3	Confident	67 Å²	67	50.6 Å²	50.6	36%	0.358	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	50.1	-167.8	-68.5	-75.8	0	0	0	112.4	F400 D401	F400-N405 VanDerWaalsContact CE2-C 3.49Å; F400-N405 HydrophobicContact CZ-CB 4.26Å; D401-N405 VanDerWaalsContact O-CA 3.25Å; D401-N405 WeakPolarHBondContact O-CA 3.4Å; D401-N405 PolarHBondContact O-N 3.39Å
406	R	87.3	Confident	86.1	Confident	153 Å²	153	49 Å²	49	58%	0.577	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.4	-170.2	178	175.7	178.4	-171.5	1.5	112.3	D401 Q404	D401-R406 PolarHBondContact N-O 2.93Å; D401-R406 PolarHBondContact O-N 3.13Å; Q404-R406 HydrophobicContact CB-CB 4.03Å
407	T	88.3	Confident	85.4	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148.7	170	-52.4	0	0	0	0	112.3	E181 L398 V399	E181-T407 WeakPolarHBondContact OE1-CB 3.46Å; E181-T407 WeakPolarHBondContact OE2-CB 3.38Å; E181-T407 PolarHBondContact OE2-OG1 3.33Å; L398-T407 HydrophobicContact CB-CG2 3.89Å; L398-T407 HydrophobicContact CD1-CG2 3.72Å; L398-T407 HydrophobicContact CD2-CG2 4.2Å; L398-T407 HydrophobicContact CG-CG2 4.14Å; V399-T407 CarbonylContact O-C 3.57Å; V399-T407 WeakPolarHBondContact O-CA 3.25Å
408	I	88.9	Confident	85.2	Confident	83 Å²	83	51.2 Å²	51.2	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.1	175.6	-55.1	175.7	0	0	0	106.7	L398 V399 T410	L398-I408 WeakPolarHBondContact CA-O 3.34Å; V399-I408 PolarHBondContact N-O 3.09Å; V399-I408 PolarHBondContact O-N 3.06Å; I408-T410 PolarHBondContact O-N 2.94Å
409	E	83.9	Confident	84.4	Confident	70 Å²	70	59.5 Å²	59.5	33%	0.327	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	119.9	170.8	-68.3	-172.7	166.1	0	0	109.4	L183 F185 P412	L183-E409 HydrophobicContact CD2-CG 4.21Å; F185-E409 HydrophobicContact CE1-CG 4.4Å; E409-P412 WeakPolarHBondContact OE2-CB 3.36Å
410	T	81.6	Confident	83.7	Confident	61 Å²	61	59.9 Å²	59.9	37%	0.374	32%	0.321	S	S	.	.	S	Bend	trans	-89.5	-33.4	170.9	43.8	0	0	0	0	111.6	T396 L397 L398 V399 I408	T396-T410 PolarHBondContact O-OG1 2.84Å; L397-T410 PolarHBondContact O-N 2.58Å; L397-T410 PolarHBondContact O-OG1 2.98Å; L398-T410 WeakPolarHBondContact CA-OG1 3.1Å; L398-T410 PolarHBondContact N-OG1 2.75Å; V399-T410 HydrophobicContact CG2-CG2 3.99Å; I408-T410 PolarHBondContact O-N 2.94Å
411	H	75	Confident	83.4	Confident	83 Å²	83	65.2 Å²	65.2	38%	0.384	35%	0.345	S	S	.	.			trans	-127	98.2	176.6	-71.8	104.6	0	0	0	111.5	T396 L397 N413 P414	T396-H411 PolarHBondContact O-ND1 2.64Å; L397-H411 PolarHBondContact O-N 2.73Å; H411-N413 PolarHBondContact O-N 2.9Å; H411-N413 VanDerWaalsContact O-N 3.09Å; H411-P414 HydrophobicContact CB-CB 4.48Å; H411-P414 WeakPolarHBondContact O-CD 3.28Å
412	P	69.4	Low	83.3	Confident	65 Å²	65	65 Å²	65	42%	0.422	34%	0.344	S	S	.	.	S	Bend	trans	-77.1	8.9	-175.5	32.5	-38	0	0	0	114.7	E409	E409-P412 WeakPolarHBondContact OE2-CB 3.36Å
413	N	79.1	Confident	83.3	Confident	146 Å²	146	65.4 Å²	65.4	78%	0.781	35%	0.347	S	S	*	.	S	Bend	trans	-157.3	67.7	174.7	-161.2	7.9	0	0	0	110.7	H411	H411-N413 PolarHBondContact O-N 2.9Å; H411-N413 VanDerWaalsContact O-N 3.09Å
414	P	84.8	Confident	83.4	Confident	8 Å²	8	66.7 Å²	66.7	5%	0.052	35%	0.349	C	S	.	.			trans	-75.3	163.1	-169.3	33.4	-37.6	0	0	0	113.5	F185 Y386 L397 H411 L416	F185-P414 HydrophobicContact CB-CG 4.01Å; F185-P414 HydrophobicContact CD1-CG 3.74Å; F185-P414 HydrophobicContact CD2-CG 4.35Å; F185-P414 HydrophobicContact CE1-CG 4.32Å; F185-P414 HydrophobicContact CG-CG 3.76Å; Y386-P414 HydrophobicContact CE1-CB 4.3Å; Y386-P414 HydrophobicContact CE2-CB 4.31Å; L397-P414 HydrophobicContact CD1-CB 3.55Å; L397-P414 HydrophobicContact CD1-CG 3.64Å; H411-P414 HydrophobicContact CB-CB 4.48Å; H411-P414 WeakPolarHBondContact O-CD 3.28Å; P414-L416 VanDerWaalsContact C-N 3.34Å; P414-L416 HydrophobicContact CB-CD1 4.39Å; P414-L416 HydrophobicContact CB-CG 4.06Å; P414-L416 HydrophobicContact CG-CD1 3.58Å; P414-L416 HydrophobicContact CG-CG 3.78Å; P414-L416 PolarHBondContact O-N 2.96Å
415	A	86	Confident	83.4	Confident	12 Å²	12	61.3 Å²	61.3	10%	0.099	32%	0.324	C	S	.	.			trans	-92.3	55.8	-177.1	0	0	0	0	0	113	Y386 S388 V389 K390	Y386-A415 HydrophobicContact CE2-CB 4.49Å; Y386-A415 PolarHBondContact OH-N 2.9Å; S388-A415 WeakPolarHBondContact OG-CB 2.88Å; V389-A415 PolarHBondContact N-O 3.04Å; K390-A415 HydrophobicContact CB-CB 4.16Å; K390-A415 HydrophobicContact CD-CB 3.77Å; K390-A415 HydrophobicContact CG-CB 3.87Å
416	L	85.3	Confident	83.4	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.058	33%	0.33	C	S	.	.			trans	-76.6	148.5	-173.7	-62.9	168.5	0	0	0	113.6	F185 Y386 L397 P414 W418 G420 Q421 L422	F185-L416 HydrophobicContact CB-CD1 3.81Å; F185-L416 HydrophobicContact CD2-CD1 4.15Å; F185-L416 HydrophobicContact CG-CD1 4.2Å; Y386-L416 HydrophobicContact CD2-CD2 3.48Å; Y386-L416 VanDerWaalsContact CD2-CD2 3.48Å; Y386-L416 HydrophobicContact CD2-CG 4.46Å; Y386-L416 HydrophobicContact CE2-CD2 3.93Å; Y386-L416 HydrophobicContact CE2-CG 4.45Å; Y386-L416 HydrophobicContact CG-CD2 4.06Å; L397-L416 HydrophobicContact CD1-CD2 4.43Å; P414-L416 VanDerWaalsContact C-N 3.34Å; P414-L416 HydrophobicContact CB-CD1 4.39Å; P414-L416 HydrophobicContact CB-CG 4.06Å; P414-L416 HydrophobicContact CG-CD1 3.58Å; P414-L416 HydrophobicContact CG-CG 3.78Å; P414-L416 PolarHBondContact O-N 2.96Å; L416-W418 HydrophobicContact CB-CE3 4.31Å; L416-W418 HydrophobicContact CD2-CZ3 4.15Å; L416-G420 PolarHBondContact O-N 3.19Å; L416-Q421 WeakPolarHBondContact CB-O 3.45Å; L416-Q421 VanDerWaalsContact CD1-C 3.49Å; L416-L422 HydrophobicContact CD1-CD2 4.06Å; L416-L422 HydrophobicContact CD1-CG 4.04Å; L416-L422 HydrophobicContact CD2-CD2 3.93Å
417	G	76.6	Confident	83.1	Confident	51 Å²	51	57.1 Å²	57.1	53%	0.526	31%	0.311	S	S	.	.	S	Bend	trans	-74.5	-34.7	-178.4	0	0	0	0	0	115.1	K419	G417-K419 VanDerWaalsContact C-N 3.25Å; G417-K419 PolarHBondContact O-N 2.88Å
418	W	84.2	Confident	82.1	Confident	32 Å²	32	62.9 Å²	62.9	12%	0.121	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-77.4	72.2	-177.2	-46.2	-94.1	0	0	0	111.5	P270 T272 L273 D296 L416 G420 Q421 L422 P423	P270-W418 PolarHBondContact O-NE1 3.14Å; P270-W418 VanDerWaalsContact O-NE1 3.11Å; T272-W418 PolarHBondContact O-NE1 2.93Å; L273-W418 HydrophobicContact CB-CZ2 4.46Å; L273-W418 HydrophobicContact CD1-CH2 3.5Å; L273-W418 VanDerWaalsContact CD1-CH2 3.5Å; L273-W418 HydrophobicContact CD1-CZ2 3.61Å; L273-W418 HydrophobicContact CD1-CZ3 4.33Å; D296-W418 HydrophobicContact CB-CZ2 4Å; L416-W418 HydrophobicContact CB-CE3 4.31Å; L416-W418 HydrophobicContact CD2-CZ3 4.15Å; W418-G420 PolarHBondContact O-N 2.85Å; W418-Q421 WeakPolarHBondContact CB-O 3.34Å; W418-Q421 PolarHBondContact O-N 3.46Å; W418-L422 HydrophobicContact CE3-CD2 3.88Å; W418-L422 HydrophobicContact CH2-CD2 4.35Å; W418-L422 HydrophobicContact CZ3-CD2 3.58Å; W418-P423 HydrophobicContact CG-CG 4.35Å
419	K	75.1	Confident	80.7	Confident	175 Å²	175	63 Å²	63	76%	0.761	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	14.5	179.6	-50.8	162.9	-170.4	158.7	0	113.9	G417 E428	G417-K419 VanDerWaalsContact C-N 3.25Å; G417-K419 PolarHBondContact O-N 2.88Å; K419-E428 IonicContact NZ-OE1 2.67Å; K419-E428 PolarHBondContact NZ-OE1 3.19Å
420	G	78.4	Confident	79.3	Confident	31 Å²	31	64.8 Å²	64.8	32%	0.32	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	1.8	-177.3	0	0	0	0	0	115.8	L416 W418	L416-G420 PolarHBondContact O-N 3.19Å; W418-G420 PolarHBondContact O-N 2.85Å
421	Q	85.3	Confident	77.9	Confident	112 Å²	112	68.3 Å²	68.3	52%	0.523	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-125.1	-175.8	172.9	-60.4	-175.1	-69.3	0	0	109.6	R184 L416 W418	R184-Q421 PolarHBondContact O-NE2 3.44Å; L416-Q421 WeakPolarHBondContact CB-O 3.45Å; L416-Q421 VanDerWaalsContact CD1-C 3.49Å; W418-Q421 WeakPolarHBondContact CB-O 3.34Å; W418-Q421 PolarHBondContact O-N 3.46Å
422	L	89.6	Confident	76.6	Confident	7 Å²	7	71 Å²	71	4%	0.037	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-89.8	151.8	161.9	-64.2	178.5	0	0	0	108.7	F185 K186 W189 L298 L397 L416 W418	F185-L422 HydrophobicContact CD2-CD1 4.35Å; F185-L422 HydrophobicContact CD2-CG 4.44Å; F185-L422 WeakPolarHBondContact O-CB 3.46Å; F185-L422 PolarHBondContact O-N 3.16Å; K186-L422 HydrophobicContact CB-CD1 4.2Å; K186-L422 HydrophobicContact CG-CD1 4.12Å; W189-L422 HydrophobicContact CH2-CD1 4.1Å; W189-L422 HydrophobicContact CZ2-CB 4.16Å; W189-L422 HydrophobicContact CZ2-CD1 4.2Å; L298-L422 HydrophobicContact CD2-CD1 4.3Å; L397-L422 HydrophobicContact CD2-CD1 4.35Å; L416-L422 HydrophobicContact CD1-CD2 4.06Å; L416-L422 HydrophobicContact CD1-CG 4.04Å; L416-L422 HydrophobicContact CD2-CD2 3.93Å; W418-L422 HydrophobicContact CE3-CD2 3.88Å; W418-L422 HydrophobicContact CH2-CD2 4.35Å; W418-L422 HydrophobicContact CZ3-CD2 3.58Å
423	P	89.8	Confident	75.5	Confident	11 Å²	11	72.5 Å²	72.5	7%	0.071	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-67.2	154	179.6	28.7	-34.7	0	0	0	112.1	W189 D271 L273 W418	W189-P423 PolarHBondContact NE1-O 2.67Å; D271-P423 HydrophobicContact CB-CB 4.23Å; D271-P423 WeakPolarHBondContact O-CB 3.43Å; D271-P423 WeakPolarHBondContact O-CG 3.32Å; L273-P423 HydrophobicContact CB-CG 3.81Å; L273-P423 HydrophobicContact CD2-CG 4.49Å; W418-P423 HydrophobicContact CG-CG 4.35Å
424	D	88.9	Confident	74.2	Confident	89 Å²	89	67.3 Å²	67.3	48%	0.476	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-56.7	159.6	161.1	-62.9	-74.6	0	0	0	110.6	P187 N247	P187-D424 WeakPolarHBondContact CG-OD1 3.5Å; N247-D424 VanDerWaalsContact CB-O 3.29Å; N247-D424 WeakPolarHBondContact CB-O 3.43Å; N247-D424 PolarHBondContact ND2-O 2.99Å
425	D	87.8	Confident	72.6	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.07	41%	0.405	C	S	.	.	S	Bend	trans	-79.6	-31	174.2	68	-55.2	0	0	0	112.4	W189 E190 K191 S246 N247 I248	W189-D425 HydrophobicContact CB-CB 3.96Å; W189-D425 HydrophobicContact CG-CB 4.02Å; E190-D425 WeakPolarHBondContact CA-OD2 3.28Å; E190-D425 VanDerWaalsContact N-CG 3.32Å; E190-D425 PolarHBondContact N-OD2 3.05Å; K191-D425 WeakPolarHBondContact CB-OD2 3.41Å; K191-D425 PolarHBondContact N-OD2 2.9Å; S246-D425 CarbonylContact C-O 3.55Å; S246-D425 WeakPolarHBondContact CA-O 3.17Å; N247-D425 PolarHBondContact N-O 3.28Å; I248-D425 HydrophobicContact CD1-CB 3.63Å; I248-D425 HydrophobicContact CG1-CB 4.3Å
426	E	85.4	Confident	70.9	Confident	105 Å²	105	79.9 Å²	79.9	49%	0.491	44%	0.436	S	S	.	.	S	Bend	trans	-78.7	134.3	173.2	-57	-144.1	-169.5	0	0	111.6	K191 N247	K191-E426 HydrophobicContact CD-CG 4.26Å; K191-E426 WeakPolarHBondContact CE-OE1 3.29Å; K191-E426 IonicContact NZ-OE1 3.83Å; K191-E426 PolarHBondContact NZ-OE1 2.97Å; K191-E426 IonicContact NZ-OE2 2.7Å; K191-E426 PolarHBondContact NZ-OE2 3.21Å; N247-E426 PolarHBondContact ND2-O 3.03Å
427	P	81.9	Confident	69.3	Low	27 Å²	27	83.3 Å²	83.3	18%	0.175	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-72.7	134.7	174.8	28.5	-33.4	0	0	0	112	R244 N247 N429	R244-P427 HydrophobicContact CG-CB 4Å; R244-P427 HydrophobicContact CG-CG 3.94Å; R244-P427 WeakPolarHBondContact O-CG 3.41Å; N247-P427 WeakPolarHBondContact OD1-CA 3.39Å; N247-P427 WeakPolarHBondContact OD1-CB 3.45Å; P427-N429 PolarHBondContact O-N 3.45Å; P427-N429 VanDerWaalsContact O-N 3.14Å
428	E	67.8	Low	68.3	Low	129 Å²	129	84 Å²	84	60%	0.603	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-51.3	119.2	170.4	-71.7	-176.4	-171.4	0	0	110	K419 P430	K419-E428 IonicContact NZ-OE1 2.67Å; K419-E428 PolarHBondContact NZ-OE1 3.19Å; E428-P430 WeakPolarHBondContact O-CD 3.26Å
429	N	58.1	Low	66.9	Low	84 Å²	84	87.8 Å²	87.8	45%	0.449	47%	0.47	S	S	.	.			trans	-91.3	114.1	-176.3	-176.4	34	0	0	0	110.1	P427 E431 D432	P427-N429 PolarHBondContact O-N 3.45Å; P427-N429 VanDerWaalsContact O-N 3.14Å; N429-E431 PolarHBondContact O-N 3.46Å; N429-D432 WeakPolarHBondContact O-CB 3.17Å; N429-D432 PolarHBondContact O-N 3.25Å
430	P	54.6	Low	66	Low	109 Å²	109	84.5 Å²	84.5	71%	0.708	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	9.9	-171.2	30.8	-37.8	0	0	0	115.1	E428	E428-P430 WeakPolarHBondContact O-CD 3.26Å
431	E	52.4	Low	64.9	Low	135 Å²	135	86.2 Å²	86.2	63%	0.631	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-3.2	170.4	-68.3	173.5	-141.2	0	0	112.1	K243 N429	K243-E431 IonicContact NZ-OE1 3.67Å; K243-E431 PolarHBondContact NZ-OE1 3.32Å; N429-E431 PolarHBondContact O-N 3.46Å
432	D	47.9	Very low	63.5	Low	140 Å²	140	84.9 Å²	84.9	75%	0.749	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-83.2	136.2	-179.3	-149.3	0.5	0	0	0	111.8	N429	N429-D432 WeakPolarHBondContact O-CB 3.17Å; N429-D432 PolarHBondContact O-N 3.25Å
433	L	46.6	Very low	61.9	Low	95 Å²	95	90.3 Å²	90.3	50%	0.497	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-101.3	129.9	-161.2	-79.9	147.9	0	0	0	111.9	D437 I441	L433-D437 HydrophobicContact CB-CB 4.37Å; L433-D437 HydrophobicContact CD2-CB 4.06Å; L433-I441 HydrophobicContact CB-CD1 4.41Å; L433-I441 HydrophobicContact CD1-CD1 3.7Å; L433-I441 HydrophobicContact CD2-CD1 3.9Å; L433-I441 HydrophobicContact CG-CD1 4.22Å
434	G	52.1	Low	60.4	Low	38 Å²	38	91.5 Å²	91.5	39%	0.392	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-59.4	150.9	-175.3	0	0	0	0	0	112.8	Q436 D437 V438	G434-Q436 PolarHBondContact O-N 2.63Å; G434-D437 CarbonylContact O-C 3.57Å; G434-D437 WeakPolarHBondContact O-CA 3.34Å; G434-D437 WeakPolarHBondContact O-CB 3.32Å; G434-D437 PolarHBondContact O-N 3.42Å; G434-V438 PolarHBondContact O-N 3.06Å
435	T	51.2	Low	58.9	Low	122 Å²	122	90.1 Å²	90.1	75%	0.748	50%	0.502	S	S	*	.	H	α-helix	trans	-61.2	-19	-173.9	50.2	0	0	0	0	114.8
436	Q	50.8	Low	57.4	Low	161 Å²	161	92.7 Å²	92.7	75%	0.752	52%	0.521	S	S	*	.	H	α-helix	trans	-79	-40.6	169.3	-66.8	-169.3	-12.2	0	0	112.4	G434 V438 I439 V440	G434-Q436 PolarHBondContact O-N 2.63Å; Q436-V438 VanDerWaalsContact C-N 3.26Å; Q436-V438 PolarHBondContact O-N 2.79Å; Q436-I439 PolarHBondContact O-N 3.07Å; Q436-I439 VanDerWaalsContact O-N 3.1Å; Q436-V440 PolarHBondContact O-N 3.07Å
437	D	51.2	Low	56.5	Low	83 Å²	83	92.4 Å²	92.4	44%	0.444	53%	0.526	S	S	.	.	H	α-helix	trans	-60.1	-40	169.4	-61.8	-57.6	0	0	0	110.2	L433 G434 I439 V440 I441	L433-D437 HydrophobicContact CB-CB 4.37Å; L433-D437 HydrophobicContact CD2-CB 4.06Å; G434-D437 CarbonylContact O-C 3.57Å; G434-D437 WeakPolarHBondContact O-CA 3.34Å; G434-D437 WeakPolarHBondContact O-CB 3.32Å; G434-D437 PolarHBondContact O-N 3.42Å; D437-I439 PolarHBondContact O-N 3.24Å; D437-I439 VanDerWaalsContact O-N 3.15Å; D437-V440 PolarHBondContact O-N 2.81Å; D437-V440 VanDerWaalsContact O-N 3.16Å; D437-I441 HydrophobicContact CB-CD1 4.24Å; D437-I441 WeakPolarHBondContact O-CA 3.39Å; D437-I441 WeakPolarHBondContact O-CB 3.37Å; D437-I441 WeakPolarHBondContact O-CG1 3.02Å; D437-I441 PolarHBondContact O-N 3.34Å
438	V	54.3	Low	55.4	Low	67 Å²	67	95 Å²	95	41%	0.406	54%	0.541	S	S	.	.	H	α-helix	trans	-56.2	-30	174.6	175.3	0	0	0	0	112.6	G434 Q436 V442	G434-V438 PolarHBondContact O-N 3.06Å; Q436-V438 VanDerWaalsContact C-N 3.26Å; Q436-V438 PolarHBondContact O-N 2.79Å; V438-V442 HydrophobicContact CG1-CG2 4.23Å; V438-V442 WeakPolarHBondContact O-CB 3.45Å; V438-V442 WeakPolarHBondContact O-CG2 3.45Å; V438-V442 PolarHBondContact O-N 3.46Å
439	I	55.8	Low	55	Low	111 Å²	111	92 Å²	92	57%	0.569	53%	0.532	S	S	*	.	H	α-helix	trans	-76.3	-46	176.3	-65	169.4	0	0	0	111.3	Q436 D437 I441 V442 L443	Q436-I439 PolarHBondContact O-N 3.07Å; Q436-I439 VanDerWaalsContact O-N 3.1Å; D437-I439 PolarHBondContact O-N 3.24Å; D437-I439 VanDerWaalsContact O-N 3.15Å; I439-I441 VanDerWaalsContact C-N 3.29Å; I439-I441 PolarHBondContact O-N 3.48Å; I439-V442 PolarHBondContact O-N 2.6Å; I439-L443 PolarHBondContact O-N 2.78Å; I439-L443 VanDerWaalsContact O-N 3.1Å
440	V	56.3	Low	55.4	Low	105 Å²	105	93.2 Å²	93.2	64%	0.636	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-39.9	175.9	-179.9	0	0	0	0	110.4	Q436 D437 L443 G444	Q436-V440 PolarHBondContact O-N 3.07Å; D437-V440 PolarHBondContact O-N 2.81Å; D437-V440 VanDerWaalsContact O-N 3.16Å; V440-L443 PolarHBondContact O-N 3.38Å; V440-G444 PolarHBondContact O-N 3.47Å
441	I	54.4	Low	55.7	Low	68 Å²	68	91.7 Å²	91.7	35%	0.349	53%	0.531	S	S	.	.	H	α-helix	trans	-68.4	-41.8	174.2	-70.1	176.4	0	0	0	110.2	L433 D437 I439 L443 G444 V445	L433-I441 HydrophobicContact CB-CD1 4.41Å; L433-I441 HydrophobicContact CD1-CD1 3.7Å; L433-I441 HydrophobicContact CD2-CD1 3.9Å; L433-I441 HydrophobicContact CG-CD1 4.22Å; D437-I441 HydrophobicContact CB-CD1 4.24Å; D437-I441 WeakPolarHBondContact O-CA 3.39Å; D437-I441 WeakPolarHBondContact O-CB 3.37Å; D437-I441 WeakPolarHBondContact O-CG1 3.02Å; D437-I441 PolarHBondContact O-N 3.34Å; I439-I441 VanDerWaalsContact C-N 3.29Å; I439-I441 PolarHBondContact O-N 3.48Å; I441-L443 VanDerWaalsContact C-N 3.27Å; I441-L443 PolarHBondContact O-N 2.93Å; I441-G444 CarbonylContact O-C 3.47Å; I441-G444 PolarHBondContact O-N 3.29Å; I441-V445 HydrophobicContact CG2-CB 4.45Å; I441-V445 HydrophobicContact CG2-CG2 3.53Å; I441-V445 VanDerWaalsContact O-CA 3.31Å; I441-V445 WeakPolarHBondContact O-CA 3.23Å; I441-V445 WeakPolarHBondContact O-CB 3.39Å; I441-V445 WeakPolarHBondContact O-CG2 3.45Å; I441-V445 PolarHBondContact O-N 3.26Å
442	V	56.7	Low	55.8	Low	84 Å²	84	86.4 Å²	86.4	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-33	175.6	160.4	0	0	0	0	112.1	V438 I439 V445 S446	V438-V442 HydrophobicContact CG1-CG2 4.23Å; V438-V442 WeakPolarHBondContact O-CB 3.45Å; V438-V442 WeakPolarHBondContact O-CG2 3.45Å; V438-V442 PolarHBondContact O-N 3.46Å; I439-V442 PolarHBondContact O-N 2.6Å; V442-V445 CarbonylContact O-C 3.52Å; V442-S446 WeakPolarHBondContact O-CB 3.45Å; V442-S446 PolarHBondContact O-N 3.37Å; V442-S446 PolarHBondContact O-OG 2.98Å
443	L	56.3	Low	56.6	Low	121 Å²	121	84.1 Å²	84.1	63%	0.634	50%	0.497	S	S	*	.	H	α-helix	trans	-71.9	-46.6	172.1	-74.1	165.6	0	0	0	112.1	I439 V440 I441 V445 S446 V447	I439-L443 PolarHBondContact O-N 2.78Å; I439-L443 VanDerWaalsContact O-N 3.1Å; V440-L443 PolarHBondContact O-N 3.38Å; I441-L443 VanDerWaalsContact C-N 3.27Å; I441-L443 PolarHBondContact O-N 2.93Å; L443-V445 VanDerWaalsContact C-N 3.33Å; L443-V445 PolarHBondContact O-N 3.43Å; L443-S446 WeakPolarHBondContact O-CB 3.27Å; L443-S446 PolarHBondContact O-N 3.47Å; L443-S446 VanDerWaalsContact O-N 3.14Å; L443-V447 PolarHBondContact O-N 3.09Å
444	G	58.5	Low	57.2	Low	35 Å²	35	82.7 Å²	82.7	36%	0.361	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-38.3	174.1	0	0	0	0	0	112.9	V440 I441 S446 V447 V448	V440-G444 PolarHBondContact O-N 3.47Å; I441-G444 CarbonylContact O-C 3.47Å; I441-G444 PolarHBondContact O-N 3.29Å; G444-S446 VanDerWaalsContact C-N 3.33Å; G444-V447 PolarHBondContact O-N 2.83Å; G444-V448 WeakPolarHBondContact O-CB 2.95Å; G444-V448 WeakPolarHBondContact O-CG2 3.41Å; G444-V448 PolarHBondContact O-N 2.85Å
445	V	56.2	Low	57.6	Low	61 Å²	61	85 Å²	85	37%	0.37	50%	0.502	S	S	.	.	H	α-helix	trans	-76	-17	174.9	173.5	0	0	0	0	111.1	I441 V442 L443 V448 V449	I441-V445 HydrophobicContact CG2-CB 4.45Å; I441-V445 HydrophobicContact CG2-CG2 3.53Å; I441-V445 VanDerWaalsContact O-CA 3.31Å; I441-V445 WeakPolarHBondContact O-CA 3.23Å; I441-V445 WeakPolarHBondContact O-CB 3.39Å; I441-V445 WeakPolarHBondContact O-CG2 3.45Å; I441-V445 PolarHBondContact O-N 3.26Å; V442-V445 CarbonylContact O-C 3.52Å; L443-V445 VanDerWaalsContact C-N 3.33Å; L443-V445 PolarHBondContact O-N 3.43Å; V445-V448 CarbonylContact O-C 3.47Å; V445-V449 HydrophobicContact CG1-CG2 3.5Å; V445-V449 VanDerWaalsContact CG1-CG2 3.5Å; V445-V449 WeakPolarHBondContact O-CA 3.49Å; V445-V449 WeakPolarHBondContact O-CB 3.11Å; V445-V449 WeakPolarHBondContact O-CG2 3.29Å; V445-V449 PolarHBondContact O-N 3.33Å
446	S	57.2	Low	58	Low	66 Å²	66	83.3 Å²	83.3	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-68.3	-44.9	164.6	-64.5	0	0	0	0	110.3	V442 L443 G444 V449 V450	V442-S446 WeakPolarHBondContact O-CB 3.45Å; V442-S446 PolarHBondContact O-N 3.37Å; V442-S446 PolarHBondContact O-OG 2.98Å; L443-S446 WeakPolarHBondContact O-CB 3.27Å; L443-S446 PolarHBondContact O-N 3.47Å; L443-S446 VanDerWaalsContact O-N 3.14Å; G444-S446 VanDerWaalsContact C-N 3.33Å; S446-V449 PolarHBondContact O-N 2.86Å; S446-V450 WeakPolarHBondContact O-CG2 3.43Å; S446-V450 PolarHBondContact O-N 2.55Å
447	V	65.6	Low	58.5	Low	99 Å²	99	82.9 Å²	82.9	60%	0.6	48%	0.483	S	S	*	.	H	α-helix	trans	-69.4	-40.6	174	-176.9	0	0	0	0	111.4	L443 G444 V449 V450 T451	L443-V447 PolarHBondContact O-N 3.09Å; G444-V447 PolarHBondContact O-N 2.83Å; V447-V449 VanDerWaalsContact C-N 3.34Å; V447-V450 PolarHBondContact O-N 3.26Å; V447-T451 PolarHBondContact O-N 2.73Å; V447-T451 PolarHBondContact O-OG1 2.8Å
448	V	59.3	Low	59.1	Low	82 Å²	82	85.7 Å²	85.7	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-75.2	-16.4	176.2	173.6	0	0	0	0	112.3	G444 V445 T451 A452	G444-V448 WeakPolarHBondContact O-CB 2.95Å; G444-V448 WeakPolarHBondContact O-CG2 3.41Å; G444-V448 PolarHBondContact O-N 2.85Å; V445-V448 CarbonylContact O-C 3.47Å; V448-T451 WeakPolarHBondContact CA-OG1 3.41Å; V448-A452 WeakPolarHBondContact O-CA 3.2Å; V448-A452 WeakPolarHBondContact O-CB 3.22Å; V448-A452 PolarHBondContact O-N 2.92Å
449	V	58.5	Low	59.1	Low	67 Å²	67	90.7 Å²	90.7	41%	0.406	50%	0.5	S	S	.	.	H	α-helix	trans	-93.6	-24.4	170.3	167.6	0	0	0	0	111.8	V445 S446 V447 A452 I453	V445-V449 HydrophobicContact CG1-CG2 3.5Å; V445-V449 VanDerWaalsContact CG1-CG2 3.5Å; V445-V449 WeakPolarHBondContact O-CA 3.49Å; V445-V449 WeakPolarHBondContact O-CB 3.11Å; V445-V449 WeakPolarHBondContact O-CG2 3.29Å; V445-V449 PolarHBondContact O-N 3.33Å; S446-V449 PolarHBondContact O-N 2.86Å; V447-V449 VanDerWaalsContact C-N 3.34Å; V449-A452 CarbonylContact O-C 3.56Å; V449-I453 HydrophobicContact CG1-CD1 3.54Å; V449-I453 HydrophobicContact CG1-CG1 3.85Å; V449-I453 WeakPolarHBondContact O-CA 3.27Å; V449-I453 WeakPolarHBondContact O-CB 3.34Å; V449-I453 WeakPolarHBondContact O-CD1 3.48Å; V449-I453 WeakPolarHBondContact O-CG1 3.43Å; V449-I453 PolarHBondContact O-N 2.78Å
450	V	67	Low	59.1	Low	109 Å²	109	90.5 Å²	90.5	66%	0.661	50%	0.496	S	S	*	.	H	α-helix	trans	-66.6	-52.1	162.4	172.1	0	0	0	0	109.2	S446 V447 A452 I453 A454	S446-V450 WeakPolarHBondContact O-CG2 3.43Å; S446-V450 PolarHBondContact O-N 2.55Å; V447-V450 PolarHBondContact O-N 3.26Å; V450-A452 PolarHBondContact O-N 3.5Å; V450-I453 PolarHBondContact O-N 3.49Å; V450-A454 PolarHBondContact O-N 3.14Å; V450-A454 VanDerWaalsContact O-N 3.13Å
451	T	60.7	Low	59	Low	77 Å²	77	88.8 Å²	88.8	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-69.6	-29.7	178.6	54.7	0	0	0	0	113.1	V447 V448 A454 L455	V447-T451 PolarHBondContact O-N 2.73Å; V447-T451 PolarHBondContact O-OG1 2.8Å; V448-T451 WeakPolarHBondContact CA-OG1 3.41Å; T451-A454 CarbonylContact O-C 3.56Å; T451-A454 WeakPolarHBondContact O-CB 2.97Å; T451-A454 PolarHBondContact O-N 2.96Å; T451-L455 VanDerWaalsContact O-CB 3.32Å; T451-L455 WeakPolarHBondContact O-CB 3.29Å; T451-L455 PolarHBondContact O-N 3.05Å
452	A	55.7	Low	59	Low	23 Å²	23	92.2 Å²	92.2	19%	0.19	49%	0.492	C	S	.	.	H	α-helix	trans	-94.9	0.9	171.6	0	0	0	0	0	115.3	V448 V449 V450 L455 I456	V448-A452 WeakPolarHBondContact O-CA 3.2Å; V448-A452 WeakPolarHBondContact O-CB 3.22Å; V448-A452 PolarHBondContact O-N 2.92Å; V449-A452 CarbonylContact O-C 3.56Å; V450-A452 PolarHBondContact O-N 3.5Å; A452-L455 HydrophobicContact CB-CB 4.1Å; A452-L455 CarbonylContact O-C 3.57Å; A452-I456 VanDerWaalsContact O-CA 3.31Å; A452-I456 WeakPolarHBondContact O-CA 3.41Å; A452-I456 WeakPolarHBondContact O-CB 3.45Å; A452-I456 VanDerWaalsContact O-CD1 3.29Å; A452-I456 WeakPolarHBondContact O-CD1 3.19Å; A452-I456 WeakPolarHBondContact O-CG1 3.4Å; A452-I456 PolarHBondContact O-N 3.48Å
453	I	63.7	Low	58.6	Low	93 Å²	93	94.9 Å²	94.9	48%	0.477	50%	0.497	S	S	.	.	H	α-helix	trans	-77.4	-35.7	153.3	-78	165.9	0	0	0	107.8	V449 V450 F457	V449-I453 HydrophobicContact CG1-CD1 3.54Å; V449-I453 HydrophobicContact CG1-CG1 3.85Å; V449-I453 WeakPolarHBondContact O-CA 3.27Å; V449-I453 WeakPolarHBondContact O-CB 3.34Å; V449-I453 WeakPolarHBondContact O-CD1 3.48Å; V449-I453 WeakPolarHBondContact O-CG1 3.43Å; V449-I453 PolarHBondContact O-N 2.78Å; V450-I453 PolarHBondContact O-N 3.49Å; I453-F457 HydrophobicContact CG2-CD2 4.04Å; I453-F457 HydrophobicContact CG2-CE2 4.39Å; I453-F457 WeakPolarHBondContact O-CB 3.46Å; I453-F457 WeakPolarHBondContact O-CD2 3.22Å; I453-F457 PolarHBondContact O-N 3.44Å
454	A	60.6	Low	58.4	Low	65 Å²	65	93.5 Å²	93.5	54%	0.537	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-45.2	165.1	0	0	0	0	0	111.7	V450 T451 I456 F457 Y458	V450-A454 PolarHBondContact O-N 3.14Å; V450-A454 VanDerWaalsContact O-N 3.13Å; T451-A454 CarbonylContact O-C 3.56Å; T451-A454 WeakPolarHBondContact O-CB 2.97Å; T451-A454 PolarHBondContact O-N 2.96Å; A454-I456 VanDerWaalsContact C-N 3.32Å; A454-I456 PolarHBondContact O-N 3.38Å; A454-F457 PolarHBondContact O-N 3.04Å; A454-Y458 VanDerWaalsContact O-CB 3.24Å; A454-Y458 WeakPolarHBondContact O-CB 3.46Å; A454-Y458 PolarHBondContact O-N 2.99Å
455	L	58.6	Low	58	Low	87 Å²	87	98.7 Å²	98.7	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-75.6	-13.1	178.2	-126.7	168.7	0	0	0	113.1	T451 A452 Y458 R459	T451-L455 VanDerWaalsContact O-CB 3.32Å; T451-L455 WeakPolarHBondContact O-CB 3.29Å; T451-L455 PolarHBondContact O-N 3.05Å; A452-L455 HydrophobicContact CB-CB 4.1Å; A452-L455 CarbonylContact O-C 3.57Å; L455-Y458 HydrophobicContact CD2-CD1 4.06Å; L455-R459 HydrophobicContact CD2-CG 3.9Å; L455-R459 WeakPolarHBondContact O-CA 3.46Å; L455-R459 WeakPolarHBondContact O-CB 3.31Å; L455-R459 VanDerWaalsContact O-CG 3.27Å; L455-R459 WeakPolarHBondContact O-CG 3.46Å; L455-R459 PolarHBondContact O-N 3.03Å
456	I	60.8	Low	57.5	Low	86 Å²	86	101 Å²	101	44%	0.441	50%	0.503	S	S	.	.	H	α-helix	trans	-94.7	-32.9	166.8	-69.7	163.8	0	0	0	110.5	A452 A454 Y458 R459 Q460	A452-I456 VanDerWaalsContact O-CA 3.31Å; A452-I456 WeakPolarHBondContact O-CA 3.41Å; A452-I456 WeakPolarHBondContact O-CB 3.45Å; A452-I456 VanDerWaalsContact O-CD1 3.29Å; A452-I456 WeakPolarHBondContact O-CD1 3.19Å; A452-I456 WeakPolarHBondContact O-CG1 3.4Å; A452-I456 PolarHBondContact O-N 3.48Å; A454-I456 VanDerWaalsContact C-N 3.32Å; A454-I456 PolarHBondContact O-N 3.38Å; I456-Y458 PolarHBondContact O-N 2.97Å; I456-R459 CarbonylContact O-C 3.57Å; I456-R459 PolarHBondContact O-N 2.76Å; I456-Q460 HydrophobicContact CG2-CB 4.11Å; I456-Q460 VanDerWaalsContact O-CA 3.26Å; I456-Q460 WeakPolarHBondContact O-CA 3.33Å; I456-Q460 WeakPolarHBondContact O-CB 3.18Å; I456-Q460 PolarHBondContact O-N 2.94Å
457	F	60.8	Low	56.9	Low	151 Å²	151	103 Å²	103	66%	0.662	51%	0.506	S	S	*	.	H	α-helix	trans	-60.8	-34.5	164	-98.6	-89.5	0	0	0	110.6	I453 A454 N461	I453-F457 HydrophobicContact CG2-CD2 4.04Å; I453-F457 HydrophobicContact CG2-CE2 4.39Å; I453-F457 WeakPolarHBondContact O-CB 3.46Å; I453-F457 WeakPolarHBondContact O-CD2 3.22Å; I453-F457 PolarHBondContact O-N 3.44Å; A454-F457 PolarHBondContact O-N 3.04Å; F457-N461 VanDerWaalsContact O-CB 3.23Å; F457-N461 WeakPolarHBondContact O-CB 3.19Å; F457-N461 PolarHBondContact O-N 3.29Å; F457-N461 PolarHBondContact O-ND2 3.49Å; F457-N461 VanDerWaalsContact O-ND2 3.12Å
458	Y	64.1	Low	56	Low	142 Å²	142	101 Å²	101	56%	0.557	49%	0.49	S	S	*	.	H	α-helix	trans	-75.8	-45.4	170.4	-175.3	-93	0	0	0	113.5	A454 L455 I456 N461 R462	A454-Y458 VanDerWaalsContact O-CB 3.24Å; A454-Y458 WeakPolarHBondContact O-CB 3.46Å; A454-Y458 PolarHBondContact O-N 2.99Å; L455-Y458 HydrophobicContact CD2-CD1 4.06Å; I456-Y458 PolarHBondContact O-N 2.97Å; Y458-N461 WeakPolarHBondContact O-CB 3.48Å; Y458-R462 VanDerWaalsContact O-CB 3.24Å; Y458-R462 WeakPolarHBondContact O-CB 3.31Å; Y458-R462 PolarHBondContact O-N 3.34Å
459	R	54.4	Low	55.2	Low	172 Å²	172	102.1 Å²	102.1	65%	0.649	49%	0.489	S	S	*	.	H	α-helix	trans	-76	-22.1	177.8	-87.1	179.6	153	179.3	-5.5	113.5	L455 I456 R462 K463	L455-R459 HydrophobicContact CD2-CG 3.9Å; L455-R459 WeakPolarHBondContact O-CA 3.46Å; L455-R459 WeakPolarHBondContact O-CB 3.31Å; L455-R459 VanDerWaalsContact O-CG 3.27Å; L455-R459 WeakPolarHBondContact O-CG 3.46Å; L455-R459 PolarHBondContact O-N 3.03Å; I456-R459 CarbonylContact O-C 3.57Å; I456-R459 PolarHBondContact O-N 2.76Å; R459-R462 CarbonylContact O-C 3.58Å; R459-R462 PolarHBondContact O-N 2.97Å; R459-K463 WeakPolarHBondContact O-CA 3.43Å; R459-K463 WeakPolarHBondContact O-CB 3.28Å; R459-K463 PolarHBondContact O-N 2.75Å
460	Q	56.2	Low	54.7	Low	107 Å²	107	106.3 Å²	106.3	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-83.8	-38.5	172.4	-167.8	168.2	-18.7	0	0	108.7	I456 R462 K463 E464	I456-Q460 HydrophobicContact CG2-CB 4.11Å; I456-Q460 VanDerWaalsContact O-CA 3.26Å; I456-Q460 WeakPolarHBondContact O-CA 3.33Å; I456-Q460 WeakPolarHBondContact O-CB 3.18Å; I456-Q460 PolarHBondContact O-N 2.94Å; Q460-R462 VanDerWaalsContact C-N 3.27Å; Q460-R462 PolarHBondContact O-N 2.98Å; Q460-K463 PolarHBondContact O-N 3.05Å; Q460-E464 HydrophobicContact CG-CG 4.29Å; Q460-E464 WeakPolarHBondContact O-CA 3.37Å; Q460-E464 WeakPolarHBondContact O-CB 3.35Å; Q460-E464 VanDerWaalsContact O-CG 3.29Å; Q460-E464 WeakPolarHBondContact O-CG 3.46Å; Q460-E464 PolarHBondContact O-N 3.34Å
461	N	53	Low	54.1	Low	70 Å²	70	105.5 Å²	105.5	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-52.4	-48.7	158.5	-105.9	-88.6	0	0	0	111	F457 Y458 R465	F457-N461 VanDerWaalsContact O-CB 3.23Å; F457-N461 WeakPolarHBondContact O-CB 3.19Å; F457-N461 PolarHBondContact O-N 3.29Å; F457-N461 PolarHBondContact O-ND2 3.49Å; F457-N461 VanDerWaalsContact O-ND2 3.12Å; Y458-N461 WeakPolarHBondContact O-CB 3.48Å; N461-R465 WeakPolarHBondContact O-CB 3.28Å; N461-R465 WeakPolarHBondContact O-CD 3.33Å; N461-R465 WeakPolarHBondContact O-CG 3.48Å; N461-R465 PolarHBondContact O-N 3.09Å; N461-R465 PolarHBondContact OD1-NE 2.98Å; N461-R465 PolarHBondContact OD1-NH2 3.13Å
462	R	56.1	Low	54	Low	139 Å²	139	103 Å²	103	53%	0.525	47%	0.472	S	S	.	.	H	α-helix	trans	-72.1	-30	-177.5	-168.6	170.9	172.2	159.5	-3.6	113.3	Y458 R459 Q460 R465 Q466	Y458-R462 VanDerWaalsContact O-CB 3.24Å; Y458-R462 WeakPolarHBondContact O-CB 3.31Å; Y458-R462 PolarHBondContact O-N 3.34Å; R459-R462 CarbonylContact O-C 3.58Å; R459-R462 PolarHBondContact O-N 2.97Å; Q460-R462 VanDerWaalsContact C-N 3.27Å; Q460-R462 PolarHBondContact O-N 2.98Å; R462-R465 CarbonylContact O-C 3.59Å; R462-Q466 WeakPolarHBondContact O-CB 3.27Å; R462-Q466 WeakPolarHBondContact O-CG 3.44Å; R462-Q466 PolarHBondContact O-N 2.82Å; R462-Q466 PolarHBondContact O-OE1 3.07Å
463	K	47.5	Very low	54.6	Low	140 Å²	140	105.5 Å²	105.5	61%	0.609	48%	0.48	S	S	*	.	H	α-helix	trans	-90.8	-30.1	-177.6	-170.8	176.6	-178.5	-175.4	0	111.7	R459 Q460 Q466 M467	R459-K463 WeakPolarHBondContact O-CA 3.43Å; R459-K463 WeakPolarHBondContact O-CB 3.28Å; R459-K463 PolarHBondContact O-N 2.75Å; Q460-K463 PolarHBondContact O-N 3.05Å; K463-Q466 CarbonylContact O-C 3.58Å; K463-Q466 PolarHBondContact O-N 3.22Å; K463-M467 VanDerWaalsContact O-CB 3.28Å; K463-M467 WeakPolarHBondContact O-CB 3.42Å; K463-M467 WeakPolarHBondContact O-CG 3.38Å; K463-M467 PolarHBondContact O-N 3.01Å
464	E	52.2	Low	55	Low	92 Å²	92	102.2 Å²	102.2	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-47.4	159.2	-69.3	-171.4	109.6	0	0	109.6	Q460 Q466 M467 Q468	Q460-E464 HydrophobicContact CG-CG 4.29Å; Q460-E464 WeakPolarHBondContact O-CA 3.37Å; Q460-E464 WeakPolarHBondContact O-CB 3.35Å; Q460-E464 VanDerWaalsContact O-CG 3.29Å; Q460-E464 WeakPolarHBondContact O-CG 3.46Å; Q460-E464 PolarHBondContact O-N 3.34Å; E464-Q466 PolarHBondContact O-N 2.9Å; E464-Q466 VanDerWaalsContact O-N 3.13Å; E464-M467 CarbonylContact O-C 3.58Å; E464-M467 PolarHBondContact O-N 2.82Å; E464-M467 VanDerWaalsContact O-N 3.07Å; E464-Q468 VanDerWaalsContact O-CB 3.25Å; E464-Q468 WeakPolarHBondContact O-CB 3.48Å; E464-Q468 VanDerWaalsContact O-CG 3.25Å; E464-Q468 WeakPolarHBondContact O-CG 3.44Å; E464-Q468 PolarHBondContact O-N 2.88Å
465	R	49.2	Very low	55.5	Low	145 Å²	145	101.8 Å²	101.8	55%	0.547	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-19.9	169.9	-70	168.1	-157.7	-152.5	6.1	113.6	N461 R462 K469	N461-R465 WeakPolarHBondContact O-CB 3.28Å; N461-R465 WeakPolarHBondContact O-CD 3.33Å; N461-R465 WeakPolarHBondContact O-CG 3.48Å; N461-R465 PolarHBondContact O-N 3.09Å; N461-R465 PolarHBondContact OD1-NE 2.98Å; N461-R465 PolarHBondContact OD1-NH2 3.13Å; R462-R465 CarbonylContact O-C 3.59Å; R465-K469 WeakPolarHBondContact O-CD 3.49Å; R465-K469 WeakPolarHBondContact O-CE 3.34Å; R465-K469 WeakPolarHBondContact O-CG 3.33Å
466	Q	46.8	Very low	56.1	Low	110 Å²	110	100.5 Å²	100.5	51%	0.514	45%	0.453	S	S	.	.	H	α-helix	trans	-92.5	-26.4	171.8	-78	171.3	-50.3	0	0	113.3	R462 K463 E464 K469 K470	R462-Q466 WeakPolarHBondContact O-CB 3.27Å; R462-Q466 WeakPolarHBondContact O-CG 3.44Å; R462-Q466 PolarHBondContact O-N 2.82Å; R462-Q466 PolarHBondContact O-OE1 3.07Å; K463-Q466 CarbonylContact O-C 3.58Å; K463-Q466 PolarHBondContact O-N 3.22Å; E464-Q466 PolarHBondContact O-N 2.9Å; E464-Q466 VanDerWaalsContact O-N 3.13Å; Q466-K469 CarbonylContact O-C 3.55Å; Q466-K469 PolarHBondContact O-N 2.67Å; Q466-K470 PolarHBondContact O-N 2.96Å
467	M	43.8	Very low	56.6	Low	106 Å²	106	103.8 Å²	103.8	52%	0.522	47%	0.466	S	S	.	.	H	α-helix	trans	-78.7	-34.2	173	-69	-80.1	-80.3	0	0	110.7	K463 E464 K469 K470	K463-M467 VanDerWaalsContact O-CB 3.28Å; K463-M467 WeakPolarHBondContact O-CB 3.42Å; K463-M467 WeakPolarHBondContact O-CG 3.38Å; K463-M467 PolarHBondContact O-N 3.01Å; E464-M467 CarbonylContact O-C 3.58Å; E464-M467 PolarHBondContact O-N 2.82Å; E464-M467 VanDerWaalsContact O-N 3.07Å; M467-K469 PolarHBondContact O-N 3.47Å; M467-K470 PolarHBondContact O-N 3.47Å; M467-K470 HydrophobicContact SD-CD 4.31Å
468	Q	47.8	Very low	57.1	Low	57 Å²	57	101 Å²	101	27%	0.266	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.6	164	-71.7	170.1	-31.3	0	0	112.6	E464 I533 N536	E464-Q468 VanDerWaalsContact O-CB 3.25Å; E464-Q468 WeakPolarHBondContact O-CB 3.48Å; E464-Q468 VanDerWaalsContact O-CG 3.25Å; E464-Q468 WeakPolarHBondContact O-CG 3.44Å; E464-Q468 PolarHBondContact O-N 2.88Å; Q468-I533 HydrophobicContact CB-CG1 4.07Å; Q468-I533 HydrophobicContact CG-CG1 4.21Å; Q468-N536 PolarHBondContact O-ND2 2.84Å
469	K	42.2	Very low	57.6	Low	107 Å²	107	95.3 Å²	95.3	47%	0.465	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.4	168.8	-69.4	164.4	-162.5	-83.2	0	113.2	R465 Q466 M467 W471 E529	R465-K469 WeakPolarHBondContact O-CD 3.49Å; R465-K469 WeakPolarHBondContact O-CE 3.34Å; R465-K469 WeakPolarHBondContact O-CG 3.33Å; Q466-K469 CarbonylContact O-C 3.55Å; Q466-K469 PolarHBondContact O-N 2.67Å; M467-K469 PolarHBondContact O-N 3.47Å; K469-W471 PolarHBondContact O-N 2.83Å; K469-E529 WeakPolarHBondContact CE-OE2 3.29Å; K469-E529 WeakPolarHBondContact CG-OE2 3.39Å; K469-E529 IonicContact NZ-OE2 3.36Å; K469-E529 PolarHBondContact NZ-OE2 3.34Å
470	K	47.7	Very low	58.3	Low	154 Å²	154	88.6 Å²	88.6	67%	0.67	42%	0.419	S	S	*	.	S	Bend	trans	-82.5	106.5	-177.5	-148.6	179.3	-172.7	-171	0	108	Q466 M467	Q466-K470 PolarHBondContact O-N 2.96Å; M467-K470 PolarHBondContact O-N 3.47Å; M467-K470 HydrophobicContact SD-CD 4.31Å
471	W	55	Low	58.6	Low	93 Å²	93	89.5 Å²	89.5	35%	0.352	43%	0.434	S	S	.	.			trans	-78.1	131.5	-155.2	-166.7	-62.7	0	0	0	113.3	K469 H473 G525 F527	K469-W471 PolarHBondContact O-N 2.83Å; W471-H473 VanDerWaalsContact C-N 3.27Å; W471-H473 AromaticContact CD1-CD2 3.67Å; W471-H473 AromaticContact CD1-CG 3.42Å; W471-H473 VanDerWaalsContact CD1-CG 3.42Å; W471-H473 AromaticContact CD1-ND1 3.93Å; W471-H473 AromaticContact CE2-CD2 3.85Å; W471-H473 AromaticContact CE2-NE2 3.81Å; W471-H473 AromaticContact CZ2-NE2 3.86Å; W471-H473 AromaticContact NE1-CD2 3.17Å; W471-H473 PolarHBondContact NE1-CD2 2.75Å; W471-H473 AromaticContact NE1-CE1 3.42Å; W471-H473 PolarHBondContact NE1-CE1 2.93Å; W471-H473 AromaticContact NE1-CG 3.16Å; W471-H473 AromaticContact NE1-ND1 3.32Å; W471-H473 PolarHBondContact NE1-ND1 2.83Å; W471-H473 AromaticContact NE1-NE2 3.35Å; W471-H473 PolarHBondContact NE1-NE2 3Å; W471-H473 PolarHBondContact O-N 2.97Å; W471-G525 VanDerWaalsContact CH2-O 3.24Å; W471-G525 WeakPolarHBondContact CH2-O 3.33Å; W471-G525 WeakPolarHBondContact CZ2-O 3.47Å; W471-F527 AromaticContact CH2-CD2 3.94Å; W471-F527 HydrophobicContact CH2-CD2 3.94Å; W471-F527 AromaticContact CZ2-CD2 3.59Å; W471-F527 HydrophobicContact CZ2-CD2 3.59Å; W471-F527 HydrophobicContact CZ2-CE2 4.02Å
472	S	58.4	Low	58.9	Low	23 Å²	23	87.5 Å²	87.5	16%	0.161	42%	0.424	C	S	.	.			trans	-84.5	56.9	-179.6	51.7	0	0	0	0	112.9	T552	S472-T552 PolarHBondContact O-N 2.77Å; S472-T552 PolarHBondContact O-OG1 3.39Å
473	H	67.3	Low	58.7	Low	77 Å²	77	86 Å²	86	36%	0.356	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-90.9	114.1	179.7	-109.6	-12.1	0	0	0	110.4	W471 T552	W471-H473 VanDerWaalsContact C-N 3.27Å; W471-H473 AromaticContact CD1-CD2 3.67Å; W471-H473 AromaticContact CD1-CG 3.42Å; W471-H473 VanDerWaalsContact CD1-CG 3.42Å; W471-H473 AromaticContact CD1-ND1 3.93Å; W471-H473 AromaticContact CE2-CD2 3.85Å; W471-H473 AromaticContact CE2-NE2 3.81Å; W471-H473 AromaticContact CZ2-NE2 3.86Å; W471-H473 AromaticContact NE1-CD2 3.17Å; W471-H473 PolarHBondContact NE1-CD2 2.75Å; W471-H473 AromaticContact NE1-CE1 3.42Å; W471-H473 PolarHBondContact NE1-CE1 2.93Å; W471-H473 AromaticContact NE1-CG 3.16Å; W471-H473 AromaticContact NE1-ND1 3.32Å; W471-H473 PolarHBondContact NE1-ND1 2.83Å; W471-H473 AromaticContact NE1-NE2 3.35Å; W471-H473 PolarHBondContact NE1-NE2 3Å; W471-H473 PolarHBondContact O-N 2.97Å; H473-T552 CarbonylContact C-O 3.58Å; H473-T552 VanDerWaalsContact CA-O 3.3Å; H473-T552 WeakPolarHBondContact CA-O 3.49Å; H473-T552 PolarHBondContact CE1-OG1 2.94Å; H473-T552 PolarHBondContact ND1-O 3.3Å; H473-T552 PolarHBondContact ND1-OG1 2.86Å
474	L	71.8	Confident	58.9	Low	23 Å²	23	84.9 Å²	84.9	12%	0.12	42%	0.423	C	S	.	.			trans	-79.9	124.6	170.1	-61.6	176.5	0	0	0	108.3	Y510 T552 V562	L474-Y510 HydrophobicContact CD1-CD2 4.4Å; L474-Y510 HydrophobicContact CD1-CE2 4.17Å; L474-Y510 HydrophobicContact CD2-CE2 3.84Å; L474-T552 PolarHBondContact N-O 2.86Å; L474-V562 HydrophobicContact CD1-CB 4.02Å; L474-V562 HydrophobicContact CD1-CG1 4.28Å; L474-V562 HydrophobicContact CD1-CG2 3.86Å
475	S	71.5	Confident	58.7	Low	56 Å²	56	85.5 Å²	85.5	39%	0.392	42%	0.424	S	S	.	.			trans	-61.9	134.9	175.3	-60.5	0	0	0	0	110.3	H477 M478	S475-H477 WeakPolarHBondContact CB-CE1 3.44Å; S475-H477 PolarHBondContact O-N 3.41Å; S475-M478 WeakPolarHBondContact O-CB 3.43Å; S475-M478 PolarHBondContact O-N 3.49Å
476	P	71.4	Confident	58.4	Low	61 Å²	61	85.7 Å²	85.7	40%	0.396	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-53.3	-31	-177.5	-31.8	37.2	0	0	0	115.3	M478 I479 V553 K554 F555	P476-M478 PolarHBondContact O-N 2.92Å; P476-I479 PolarHBondContact O-N 3.23Å; P476-V553 HydrophobicContact CB-CG2 4.29Å; P476-V553 HydrophobicContact CG-CG2 3.92Å; P476-K554 WeakPolarHBondContact CG-O 3.3Å; P476-F555 HydrophobicContact CB-CD1 4.19Å; P476-F555 HydrophobicContact CB-CE1 3.83Å
477	H	71.1	Confident	58.5	Low	154 Å²	154	81 Å²	81	71%	0.713	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-67.9	-15.5	177.2	63.7	-114	0	0	0	114.5	S475 I479	S475-H477 WeakPolarHBondContact CB-CE1 3.44Å; S475-H477 PolarHBondContact O-N 3.41Å; H477-I479 VanDerWaalsContact C-N 3.26Å
478	M	71.3	Confident	58.2	Low	93 Å²	93	78.5 Å²	78.5	46%	0.458	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-80.6	-7.4	177.2	-64.9	-63.1	-67.5	0	0	112.9	S475 P476 Y510	S475-M478 WeakPolarHBondContact O-CB 3.43Å; S475-M478 PolarHBondContact O-N 3.49Å; P476-M478 PolarHBondContact O-N 2.92Å; M478-Y510 HydrophobicContact CB-CD2 4.12Å; M478-Y510 HydrophobicContact CB-CE2 4.01Å; M478-Y510 HydrophobicContact CE-CE2 4.4Å; M478-Y510 WeakPolarHBondContact O-CD2 3.49Å
479	I	75.8	Confident	57.9	Low	23 Å²	23	82.2 Å²	82.2	12%	0.118	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	97.3	179.4	-60.2	168.4	0	0	0	107.7	P476 H477 C509 L517 V553 F555 V562	P476-I479 PolarHBondContact O-N 3.23Å; H477-I479 VanDerWaalsContact C-N 3.26Å; I479-C509 CarbonylContact C-O 3.59Å; I479-C509 WeakPolarHBondContact CA-O 3.46Å; I479-L517 HydrophobicContact CD1-CD2 4Å; I479-L517 HydrophobicContact CG2-CD1 4.33Å; I479-L517 HydrophobicContact CG2-CD2 4.45Å; I479-V553 HydrophobicContact CD1-CB 3.85Å; I479-V553 HydrophobicContact CD1-CG1 3.69Å; I479-V553 HydrophobicContact CD1-CG2 3.96Å; I479-F555 HydrophobicContact CD1-CZ 4.47Å; I479-V562 HydrophobicContact CD1-CG2 4.02Å
480	G	67.7	Low	57.8	Low	30 Å²	30	83.4 Å²	83.4	31%	0.309	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	160.7	174.4	0	0	0	0	0	112	G508 C509	G480-G508 WeakPolarHBondContact O-CA 3.28Å; G480-C509 PolarHBondContact N-O 3.39Å; G480-C509 PolarHBondContact O-N 3.31Å
481	P	62.1	Low	57.3	Low	127 Å²	127	81.8 Å²	81.8	83%	0.825	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-58.7	144.1	165.2	28.9	-34.5	0	0	0	109.6
482	L	59.9	Low	56.3	Low	28 Å²	28	85.7 Å²	85.7	15%	0.147	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-88.3	120.8	172.5	-171.6	66.7	0	0	0	108.3	E484 V487 R507 C509 P514 L565	L482-E484 PolarHBondContact O-N 3.37Å; L482-V487 HydrophobicContact CD1-CG2 4.16Å; L482-V487 HydrophobicContact CD2-CB 4.28Å; L482-V487 HydrophobicContact CD2-CG1 4.07Å; L482-V487 HydrophobicContact CD2-CG2 4.11Å; L482-V487 HydrophobicContact CG-CG2 4.23Å; L482-R507 HydrophobicContact CD2-CB 4.05Å; L482-C509 HydrophobicContact CD1-CB 4.17Å; L482-P514 HydrophobicContact CD1-CB 4.06Å; L482-P514 HydrophobicContact CD2-CB 4.47Å; L482-L565 HydrophobicContact CD2-CD2 3.93Å
483	D	52.9	Low	55.4	Low	108 Å²	108	92.4 Å²	92.4	58%	0.578	48%	0.477	S	S	*	.			trans	-68.1	115.4	177.6	-161	-23.2	0	0	0	109.2	K485 E486	D483-K485 PolarHBondContact O-N 3.19Å; D483-E486 PolarHBondContact O-N 2.87Å
484	E	50.5	Low	53.8	Low	115 Å²	115	93.7 Å²	93.7	54%	0.537	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-66	-20.1	-162.4	-64.9	-170.9	-166.6	0	0	113.4	L482 F504	L482-E484 PolarHBondContact O-N 3.37Å; E484-F504 WeakPolarHBondContact OE1-CD1 3.48Å; E484-F504 WeakPolarHBondContact OE1-CE1 3.36Å; E484-F504 VanDerWaalsContact OE2-CE1 3.28Å; E484-F504 WeakPolarHBondContact OE2-CE1 3.29Å
485	K	47.9	Very low	52.1	Low	106 Å²	106	98 Å²	98	46%	0.461	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-67.1	-32.2	179.7	-64.7	-178.9	166.7	-129.5	0	113.6	D483 V487 E783	D483-K485 PolarHBondContact O-N 3.19Å; K485-V487 VanDerWaalsContact C-N 3.34Å; K485-V487 PolarHBondContact O-N 2.97Å; K485-E783 WeakPolarHBondContact CD-OE1 3.49Å; K485-E783 IonicContact NZ-OE1 2.66Å; K485-E783 PolarHBondContact NZ-OE1 3.41Å
486	E	43.9	Very low	50.4	Low	149 Å²	149	103 Å²	103	70%	0.696	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-80.6	-9.6	-172.6	-63.7	-163.7	140.8	0	0	114.2	D483	D483-E486 PolarHBondContact O-N 2.87Å
487	V	48.3	Very low	48.9	Very low	10 Å²	10	108.5 Å²	108.5	6%	0.061	55%	0.549	C	S	.	.	S	Bend	trans	-132.1	0.3	-158	178.9	0	0	0	0	115.8	L482 K485 L565 Q567	L482-V487 HydrophobicContact CD1-CG2 4.16Å; L482-V487 HydrophobicContact CD2-CB 4.28Å; L482-V487 HydrophobicContact CD2-CG1 4.07Å; L482-V487 HydrophobicContact CD2-CG2 4.11Å; L482-V487 HydrophobicContact CG-CG2 4.23Å; K485-V487 VanDerWaalsContact C-N 3.34Å; K485-V487 PolarHBondContact O-N 2.97Å; V487-L565 HydrophobicContact CG1-CD2 4Å; V487-Q567 HydrophobicContact CG1-CB 4.44Å; V487-Q567 HydrophobicContact CG1-CG 3.89Å
488	S	38	Very low	47.4	Very low	54 Å²	54	109.3 Å²	109.3	38%	0.378	55%	0.546	S	S	.	.			trans	-151	90.2	-179	-72.1	0	0	0	0	116.3	K490 R507	S488-K490 PolarHBondContact O-N 3.12Å; S488-R507 PolarHBondContact OG-NH1 2.65Å; S488-R507 VanDerWaalsContact OG-NH1 3.14Å
489	L	41.3	Very low	45.9	Very low	136 Å²	136	114.7 Å²	114.7	71%	0.712	57%	0.567	S	S	*	*	S	Bend	trans	-58.4	12.6	175.8	-103.3	170.4	0	0	0	117.5	T776	L489-T776 HydrophobicContact CD1-CG2 3.96Å
490	K	41	Very low	43.9	Very low	132 Å²	132	118.2 Å²	118.2	57%	0.574	59%	0.586	S	S	*	*			trans	-152.7	65.6	-177.9	-146.1	178.5	-170.1	-172.7	0	114.5	S488 S580	S488-K490 PolarHBondContact O-N 3.12Å; K490-S580 PolarHBondContact NZ-OG 3.46Å
491	K	36.4	Very low	42.8	Very low	119 Å²	119	120.9 Å²	120.9	52%	0.517	60%	0.6	S	S	.	*			trans	-139.2	82.3	169.9	-118.5	-162.2	177.8	-166.1	0	110.7	F504	K491-F504 VanDerWaalsContact NZ-CZ 3.28Å
492	Q	34.4	Very low	41.9	Very low	176 Å²	176	119.2 Å²	119.2	82%	0.822	59%	0.587	S	S	*	*	S	Bend	trans	-159.6	20.8	174.3	-140.3	176.5	21.3	0	0	114.3
493	I	38.5	Very low	41	Very low	164 Å²	164	120.6 Å²	120.6	84%	0.841	59%	0.591	S	S	*	*	S	Bend	trans	-131.2	-13.7	-173.7	-63.1	-178.4	0	0	0	113.2
494	D	35.1	Very low	40.6	Very low	104 Å²	104	119.9 Å²	119.9	56%	0.556	58%	0.583	S	S	*	*			trans	-152.1	68.6	178.2	-169.3	19.5	0	0	0	111.5
495	D	34.7	Very low	40.7	Very low	114 Å²	114	120.4 Å²	120.4	61%	0.61	58%	0.58	S	S	*	*			trans	-82.5	-12.7	179.9	-85.4	-43.5	0	0	0	113.9	K497	D495-K497 PolarHBondContact O-N 3.16Å
496	D	36.9	Very low	41.4	Very low	160 Å²	160	116 Å²	116	86%	0.856	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	3.6	-164.8	-148.1	25.2	0	0	0	114.5
497	K	39.1	Very low	42.9	Very low	176 Å²	176	112.9 Å²	112.9	77%	0.765	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	7	-174.2	-75.4	-173.5	177.9	174	0	117.4	D495	D495-K497 PolarHBondContact O-N 3.16Å
498	R	39.9	Very low	44.3	Very low	171 Å²	171	112.4 Å²	112.4	65%	0.645	54%	0.541	S	S	*	.			trans	-130.6	64.9	-177.8	-74.2	-174.1	169.7	153.6	-1.3	115
499	K	39.1	Very low	46.1	Very low	206 Å²	206	111.5 Å²	111.5	90%	0.896	53%	0.534	S	S	*	.			trans	-94	33.7	166.7	-78	-177.4	176.9	167.7	0	114	S501	K499-S501 PolarHBondContact O-N 3.05Å
500	D	35.3	Very low	48	Very low	97 Å²	97	107.4 Å²	107.4	52%	0.519	51%	0.509	S	S	.	.			trans	-77.3	101.3	168.7	-99.2	-29.7	0	0	0	110.7	T502 Y503	D500-T502 PolarHBondContact O-N 3.49Å; D500-Y503 HydrophobicContact CB-CD2 3.95Å; D500-Y503 PolarHBondContact O-N 3.18Å
501	S	43.7	Very low	49.7	Very low	87 Å²	87	105.8 Å²	105.8	61%	0.608	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.3	-178.3	66.2	0	0	0	0	115.3	K499	K499-S501 PolarHBondContact O-N 3.05Å
502	T	42.4	Very low	51.4	Low	91 Å²	91	109.7 Å²	109.7	56%	0.558	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-40.1	174.2	42.2	0	0	0	0	112.8	D500 F504 R505	D500-T502 PolarHBondContact O-N 3.49Å; T502-F504 VanDerWaalsContact C-N 3.29Å; T502-F504 PolarHBondContact O-N 3.08Å; T502-R505 PolarHBondContact O-N 3.18Å; T502-R505 VanDerWaalsContact O-N 3.16Å
503	Y	41.3	Very low	53.4	Low	57 Å²	57	105.7 Å²	105.7	22%	0.224	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-58.2	-39.1	-177.1	-99.2	-90.1	0	0	0	113.1	D500 R505 P1070 P1071 F1074	D500-Y503 HydrophobicContact CB-CD2 3.95Å; D500-Y503 PolarHBondContact O-N 3.18Å; Y503-R505 VanDerWaalsContact C-N 3.33Å; Y503-R505 PolarHBondContact O-N 3.28Å; Y503-P1070 HydrophobicContact CE1-CB 4.23Å; Y503-P1070 HydrophobicContact CE2-CB 3.93Å; Y503-P1070 WeakPolarHBondContact OH-CA 3.27Å; Y503-P1071 VanDerWaalsContact OH-CD 3.23Å; Y503-P1071 WeakPolarHBondContact OH-CD 3.49Å; Y503-F1074 HydrophobicContact CE1-CD2 4.39Å; Y503-F1074 HydrophobicContact CE1-CE2 4.18Å
504	F	44.1	Very low	55.4	Low	94 Å²	94	99.8 Å²	99.8	41%	0.412	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-75.6	-19.3	-177.6	-71	-76.3	0	0	0	113.7	E484 K491 T502 Q506	E484-F504 WeakPolarHBondContact OE1-CD1 3.48Å; E484-F504 WeakPolarHBondContact OE1-CE1 3.36Å; E484-F504 VanDerWaalsContact OE2-CE1 3.28Å; E484-F504 WeakPolarHBondContact OE2-CE1 3.29Å; K491-F504 VanDerWaalsContact NZ-CZ 3.28Å; T502-F504 VanDerWaalsContact C-N 3.29Å; T502-F504 PolarHBondContact O-N 3.08Å; F504-Q506 VanDerWaalsContact C-N 3.26Å; F504-Q506 PolarHBondContact O-N 2.91Å
505	R	52.6	Low	57.8	Low	125 Å²	125	94.8 Å²	94.8	47%	0.472	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-77.6	-7	-178.2	-71.2	-177.7	176.5	-156.6	-2.6	114.6	T502 Y503	T502-R505 PolarHBondContact O-N 3.18Å; T502-R505 VanDerWaalsContact O-N 3.16Å; Y503-R505 VanDerWaalsContact C-N 3.33Å; Y503-R505 PolarHBondContact O-N 3.28Å
506	Q	64.4	Low	60.3	Low	14 Å²	14	89.5 Å²	89.5	7%	0.065	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-103	3.9	-174.5	-67.9	-176.2	-34.8	0	0	114.4	F504 I516 L517 F1074	F504-Q506 VanDerWaalsContact C-N 3.26Å; F504-Q506 PolarHBondContact O-N 2.91Å; Q506-I516 CarbonylContact O-C 3.49Å; Q506-I516 WeakPolarHBondContact O-CA 3.5Å; Q506-I516 WeakPolarHBondContact O-CG1 3.46Å; Q506-L517 PolarHBondContact O-N 3.35Å; Q506-F1074 PolarHBondContact NE2-O 3.04Å; Q506-F1074 PolarHBondContact OE1-O 2.83Å
507	R	74.2	Confident	62.5	Low	83 Å²	83	82.1 Å²	82.1	31%	0.313	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.7	172.7	-66.7	-178.3	175.6	-169.2	-4.1	109.6	L482 S488 L565	L482-R507 HydrophobicContact CD2-CB 4.05Å; S488-R507 PolarHBondContact OG-NH1 2.65Å; S488-R507 VanDerWaalsContact OG-NH1 3.14Å; R507-L565 HydrophobicContact CG-CD2 4.15Å
508	G	77	Confident	64.5	Low	1 Å²	1	73.8 Å²	73.8	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	179.4	178.2	0	0	0	0	0	112.5	G480 V515	G480-G508 WeakPolarHBondContact O-CA 3.28Å; G508-V515 PolarHBondContact N-O 3.11Å; G508-V515 WeakPolarHBondContact O-CG2 3.28Å; G508-V515 PolarHBondContact O-N 3.24Å
509	C	77.4	Confident	66.2	Low	34 Å²	34	68 Å²	68	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.6	176.4	176.2	0	0	0	0	110	I479 G480 L482 K512 K513	I479-C509 CarbonylContact C-O 3.59Å; I479-C509 WeakPolarHBondContact CA-O 3.46Å; G480-C509 PolarHBondContact N-O 3.39Å; G480-C509 PolarHBondContact O-N 3.31Å; L482-C509 HydrophobicContact CD1-CB 4.17Å; C509-K512 VanDerWaalsContact SG-CA 3.55Å; C509-K513 WeakPolarHBondContact CA-O 3.37Å
510	Y	80	Confident	68	Low	50 Å²	50	58.8 Å²	58.8	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.7	175.4	174.3	-100.8	0	0	0	108.9	L474 M478 K512 K513 Y550	L474-Y510 HydrophobicContact CD1-CD2 4.4Å; L474-Y510 HydrophobicContact CD1-CE2 4.17Å; L474-Y510 HydrophobicContact CD2-CE2 3.84Å; M478-Y510 HydrophobicContact CB-CD2 4.12Å; M478-Y510 HydrophobicContact CB-CE2 4.01Å; M478-Y510 HydrophobicContact CE-CE2 4.4Å; M478-Y510 WeakPolarHBondContact O-CD2 3.49Å; Y510-K512 VanDerWaalsContact C-N 3.28Å; Y510-K512 PolarHBondContact O-N 3.2Å; Y510-K513 PolarHBondContact N-O 2.79Å; Y510-K513 WeakPolarHBondContact O-CB 3.39Å; Y510-K513 PolarHBondContact O-N 2.89Å; Y510-Y550 HydrophobicContact CD1-CD1 4.2Å; Y510-Y550 HydrophobicContact CD1-CG 4.36Å; Y510-Y550 HydrophobicContact CE1-CD1 4.15Å
511	D	76.8	Confident	69	Low	99 Å²	99	59 Å²	59	53%	0.529	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	49.1	-176.5	-178.5	44.9	0	0	0	112.9	K513	D511-K513 PolarHBondContact O-N 3.12Å; D511-K513 IonicContact OD2-NZ 3.68Å; D511-K513 PolarHBondContact OD2-NZ 3Å
512	K	71.5	Confident	69.6	Low	200 Å²	200	61.9 Å²	61.9	87%	0.87	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	12.3	-176.3	-56	175.4	-177.3	173.9	0	115.2	C509 Y510	C509-K512 VanDerWaalsContact SG-CA 3.55Å; Y510-K512 VanDerWaalsContact C-N 3.28Å; Y510-K512 PolarHBondContact O-N 3.2Å
513	K	78.4	Confident	70.1	Confident	92 Å²	92	58.4 Å²	58.4	40%	0.4	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.3	178.1	-64.8	157.9	-170.5	148.3	0	110.6	C509 Y510 D511 V515	C509-K513 WeakPolarHBondContact CA-O 3.37Å; Y510-K513 PolarHBondContact N-O 2.79Å; Y510-K513 WeakPolarHBondContact O-CB 3.39Å; Y510-K513 PolarHBondContact O-N 2.89Å; D511-K513 PolarHBondContact O-N 3.12Å; D511-K513 IonicContact OD2-NZ 3.68Å; D511-K513 PolarHBondContact OD2-NZ 3Å; K513-V515 PolarHBondContact O-N 2.78Å
514	P	80.1	Confident	70.7	Confident	40 Å²	40	65.2 Å²	65.2	26%	0.26	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.9	176.2	30.1	-34.5	0	0	0	110.7	L482 L565	L482-P514 HydrophobicContact CD1-CB 4.06Å; L482-P514 HydrophobicContact CD2-CB 4.47Å; P514-L565 HydrophobicContact CB-CB 4.2Å; P514-L565 HydrophobicContact CB-CD2 4.22Å; P514-L565 PolarHBondContact O-N 3.35Å; P514-L565 VanDerWaalsContact O-N 3.16Å
515	V	85.7	Confident	71.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.4	-178.4	-67.9	0	0	0	0	112.3	G508 K513 Y550 V562 F563	G508-V515 PolarHBondContact N-O 3.11Å; G508-V515 WeakPolarHBondContact O-CG2 3.28Å; G508-V515 PolarHBondContact O-N 3.24Å; K513-V515 PolarHBondContact O-N 2.78Å; V515-Y550 HydrophobicContact CG1-CD2 3.88Å; V515-Y550 HydrophobicContact CG1-CE2 3.83Å; V515-V562 HydrophobicContact CB-CG1 3.81Å; V515-V562 HydrophobicContact CG1-CG1 3.99Å; V515-V562 HydrophobicContact CG2-CG1 3.92Å; V515-F563 CarbonylContact C-O 3.53Å; V515-F563 WeakPolarHBondContact CA-O 3.32Å; V515-F563 VanDerWaalsContact CB-O 3.3Å; V515-F563 WeakPolarHBondContact CB-O 3.46Å
516	I	86.3	Confident	71.6	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.5	173.5	-168.1	172.4	0	0	0	109.8	Q506 F563 L565 Y1073 F1074	Q506-I516 CarbonylContact O-C 3.49Å; Q506-I516 WeakPolarHBondContact O-CA 3.5Å; Q506-I516 WeakPolarHBondContact O-CG1 3.46Å; I516-F563 HydrophobicContact CG2-CB 3.8Å; I516-F563 PolarHBondContact N-O 3.13Å; I516-F563 PolarHBondContact O-N 2.92Å; I516-L565 HydrophobicContact CB-CB 4.38Å; I516-L565 HydrophobicContact CB-CD1 4.11Å; I516-L565 HydrophobicContact CD1-CD1 4.37Å; I516-Y1073 HydrophobicContact CD1-CD1 4.26Å; I516-Y1073 HydrophobicContact CD1-CE1 3.67Å; I516-Y1073 HydrophobicContact CD1-CE2 4.2Å; I516-F1074 HydrophobicContact CD1-CD1 4.19Å; I516-F1074 HydrophobicContact CD1-CE1 4.3Å
517	L	83.3	Confident	72	Confident	6 Å²	6	61 Å²	61	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	103.6	-178.4	-52.2	177.7	0	0	0	108.7	I479 Q506 V553 F555 F560 V562	I479-L517 HydrophobicContact CD1-CD2 4Å; I479-L517 HydrophobicContact CG2-CD1 4.33Å; I479-L517 HydrophobicContact CG2-CD2 4.45Å; Q506-L517 PolarHBondContact O-N 3.35Å; L517-V553 HydrophobicContact CD2-CG1 4.4Å; L517-F555 HydrophobicContact CD1-CE2 4.13Å; L517-F560 HydrophobicContact CB-CB 4.21Å; L517-F560 HydrophobicContact CB-CD1 4.15Å; L517-F560 HydrophobicContact CB-CG 4.43Å; L517-V562 HydrophobicContact CD2-CB 4.38Å; L517-V562 HydrophobicContact CD2-CG1 4.16Å; L517-V562 HydrophobicContact CD2-CG2 3.8Å
518	K	80.7	Confident	72	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.6	-177.7	-71.8	-165.4	-179.7	-179.5	0	111.2	F560 G561 F563 D634 Y1073 L1076	K518-F560 CarbonylContact O-C 3.57Å; K518-F560 VanDerWaalsContact O-CA 3.26Å; K518-F560 WeakPolarHBondContact O-CA 3.46Å; K518-G561 PolarHBondContact N-O 3.23Å; K518-G561 PolarHBondContact O-N 3Å; K518-F563 HydrophobicContact CB-CD2 4.09Å; K518-F563 HydrophobicContact CB-CE2 4.09Å; K518-F563 HydrophobicContact CD-CD2 4.07Å; K518-F563 HydrophobicContact CD-CE2 4.24Å; K518-F563 HydrophobicContact CG-CD2 4.12Å; K518-F563 HydrophobicContact CG-CE2 4.47Å; K518-D634 IonicContact NZ-OD1 2.69Å; K518-D634 PolarHBondContact NZ-OD1 3.46Å; K518-D634 IonicContact NZ-OD2 3.98Å; K518-D634 PolarHBondContact NZ-OD2 3.24Å; K518-Y1073 WeakPolarHBondContact CE-O 3.48Å; K518-L1076 HydrophobicContact CB-CD1 3.73Å; K518-L1076 HydrophobicContact CB-CD2 4.44Å; K518-L1076 HydrophobicContact CB-CG 3.86Å; K518-L1076 HydrophobicContact CD-CD2 3.74Å; K518-L1076 HydrophobicContact CD-CG 4.02Å
519	E	76.9	Confident	71.7	Confident	50 Å²	50	64 Å²	64	23%	0.234	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.8	-173	-164.9	-175	164.3	0	0	113.1	K521 F560	E519-K521 HydrophobicContact CB-CG 4.43Å; E519-K521 HydrophobicContact CG-CG 3.85Å; E519-K521 WeakPolarHBondContact OE1-CE 3.3Å; E519-K521 WeakPolarHBondContact OE2-CE 3.29Å; E519-K521 IonicContact OE2-NZ 2.63Å; E519-F560 HydrophobicContact CB-CD1 3.93Å; E519-F560 HydrophobicContact CB-CE1 3.66Å; E519-F560 HydrophobicContact CB-CZ 4.42Å; E519-F560 HydrophobicContact CG-CD1 4.35Å; E519-F560 HydrophobicContact CG-CE1 3.79Å; E519-F560 HydrophobicContact CG-CZ 4.05Å
520	L	75.2	Confident	71.5	Confident	11 Å²	11	68.4 Å²	68.4	6%	0.058	33%	0.332	C	S	.	.			trans	-105.5	73.8	-176.1	-64.8	166	0	0	0	110.6	H522 A523 F527 T552 V559 I640 L1076	L520-H522 PolarHBondContact O-N 2.96Å; L520-A523 PolarHBondContact O-N 3Å; L520-F527 HydrophobicContact CD1-CE1 4.16Å; L520-F527 HydrophobicContact CD1-CZ 3.75Å; L520-T552 HydrophobicContact CD1-CG2 4.01Å; L520-V559 HydrophobicContact CD1-CG1 4.32Å; L520-V559 PolarHBondContact N-O 2.86Å; L520-I640 HydrophobicContact CD2-CG2 3.95Å; L520-L1076 HydrophobicContact CD2-CD1 3.43Å; L520-L1076 VanDerWaalsContact CD2-CD1 3.43Å; L520-L1076 HydrophobicContact CG-CD1 4.25Å
521	K	57.7	Low	71.3	Confident	101 Å²	101	67.3 Å²	67.3	44%	0.439	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	1.6	-161.2	-73	-171.4	170.3	179.4	0	119.2	E519	E519-K521 HydrophobicContact CB-CG 4.43Å; E519-K521 HydrophobicContact CG-CG 3.85Å; E519-K521 WeakPolarHBondContact OE1-CE 3.3Å; E519-K521 WeakPolarHBondContact OE2-CE 3.29Å; E519-K521 IonicContact OE2-NZ 2.63Å
522	H	55.6	Low	71.2	Confident	148 Å²	148	64.2 Å²	64.2	69%	0.685	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	21.2	-178.5	-63.8	113.3	0	0	0	114	L520	L520-H522 PolarHBondContact O-N 2.96Å
523	A	53.8	Low	71.4	Confident	19 Å²	19	57.9 Å²	57.9	16%	0.157	29%	0.285	C	S	.	.			trans	-114.9	119.2	172	0	0	0	0	0	110.7	L520 G525 F527	L520-A523 PolarHBondContact O-N 3Å; A523-G525 PolarHBondContact O-N 2.92Å; A523-F527 HydrophobicContact CB-CD1 3.82Å; A523-F527 HydrophobicContact CB-CE1 3.49Å; A523-F527 VanDerWaalsContact CB-CE1 3.49Å; A523-F527 HydrophobicContact CB-CZ 3.96Å
524	E	52.8	Low	71.4	Confident	200 Å²	200	54.8 Å²	54.8	94%	0.935	27%	0.272	S	S	*	.	S	Bend	trans	-70.7	11.2	176.6	-58.4	-170.3	131.2	0	0	113.3
525	G	56.4	Low	71.4	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	112.6	-39.7	-161.9	0	0	0	0	0	111.5	W471 A523	W471-G525 VanDerWaalsContact CH2-O 3.24Å; W471-G525 WeakPolarHBondContact CH2-O 3.33Å; W471-G525 WeakPolarHBondContact CZ2-O 3.47Å; A523-G525 PolarHBondContact O-N 2.92Å
526	D	60.5	Low	71.1	Confident	135 Å²	135	54.2 Å²	54.2	72%	0.722	27%	0.267	S	S	*	.			trans	-100.6	100.8	-170.6	-72.1	-9.4	0	0	0	112.3
527	F	71.8	Confident	70.9	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.035	28%	0.275	C	S	.	.			trans	-70.4	147.5	171.6	-63.1	-75.7	0	0	0	111.8	W471 L520 A523 Q531 K532 L535 T552 V559 I640	W471-F527 AromaticContact CH2-CD2 3.94Å; W471-F527 HydrophobicContact CH2-CD2 3.94Å; W471-F527 AromaticContact CZ2-CD2 3.59Å; W471-F527 HydrophobicContact CZ2-CD2 3.59Å; W471-F527 HydrophobicContact CZ2-CE2 4.02Å; L520-F527 HydrophobicContact CD1-CE1 4.16Å; L520-F527 HydrophobicContact CD1-CZ 3.75Å; A523-F527 HydrophobicContact CB-CD1 3.82Å; A523-F527 HydrophobicContact CB-CE1 3.49Å; A523-F527 VanDerWaalsContact CB-CE1 3.49Å; A523-F527 HydrophobicContact CB-CZ 3.96Å; F527-Q531 HydrophobicContact CB-CB 4.06Å; F527-Q531 HydrophobicContact CD1-CB 4.35Å; F527-K532 HydrophobicContact CB-CG 4.03Å; F527-K532 WeakPolarHBondContact O-CE 3.44Å; F527-K532 PolarHBondContact O-NZ 3.32Å; F527-L535 HydrophobicContact CD1-CD1 4.18Å; F527-L535 HydrophobicContact CD2-CD1 4.27Å; F527-L535 HydrophobicContact CE1-CD1 4.16Å; F527-L535 HydrophobicContact CE2-CD1 4.26Å; F527-L535 HydrophobicContact CG-CD1 4.24Å; F527-L535 HydrophobicContact CZ-CD1 4.21Å; F527-T552 HydrophobicContact CE2-CG2 4.34Å; F527-T552 HydrophobicContact CZ-CG2 4.37Å; F527-V559 HydrophobicContact CE2-CG1 4.07Å; F527-V559 HydrophobicContact CZ-CG1 3.84Å; F527-I640 HydrophobicContact CD1-CD1 4.44Å; F527-I640 HydrophobicContact CE1-CD1 4.47Å
528	T	74.1	Confident	70.9	Confident	69 Å²	69	55.4 Å²	55.4	42%	0.423	27%	0.274	S	S	.	.			trans	-67.1	164.2	170.6	78.5	0	0	0	0	111.3	E530 Q531 K532	T528-E530 VanDerWaalsContact C-N 3.25Å; T528-E530 PolarHBondContact O-N 2.85Å; T528-Q531 PolarHBondContact O-N 3.02Å; T528-Q531 VanDerWaalsContact OG1-CG 3.3Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.37Å; T528-Q531 PolarHBondContact OG1-N 2.64Å; T528-K532 WeakPolarHBondContact O-CG 3.27Å; T528-K532 PolarHBondContact O-N 2.63Å
529	E	71.4	Confident	71	Confident	78 Å²	78	58.1 Å²	58.1	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-33.1	179.1	-63.5	-63.5	110.6	0	0	112.8	K469 K532 I533	K469-E529 WeakPolarHBondContact CE-OE2 3.29Å; K469-E529 WeakPolarHBondContact CG-OE2 3.39Å; K469-E529 IonicContact NZ-OE2 3.36Å; K469-E529 PolarHBondContact NZ-OE2 3.34Å; E529-K532 WeakPolarHBondContact OE1-CD 3.36Å; E529-K532 IonicContact OE1-NZ 3.82Å; E529-K532 PolarHBondContact OE1-NZ 2.88Å; E529-I533 WeakPolarHBondContact O-CD1 3.46Å; E529-I533 VanDerWaalsContact O-CG1 3.3Å; E529-I533 WeakPolarHBondContact O-CG1 3.29Å; E529-I533 PolarHBondContact O-N 2.85Å
530	E	72.6	Confident	71.2	Confident	126 Å²	126	64 Å²	64	59%	0.589	31%	0.308	S	S	*	.	H	α-helix	trans	-68.9	-45.9	175.4	-63.7	173	168.4	0	0	111	T528 K532 I533 E534 T639	T528-E530 VanDerWaalsContact C-N 3.25Å; T528-E530 PolarHBondContact O-N 2.85Å; E530-K532 VanDerWaalsContact C-N 3.29Å; E530-K532 PolarHBondContact O-N 3.22Å; E530-I533 WeakPolarHBondContact O-CA 3.47Å; E530-I533 WeakPolarHBondContact O-CB 3.32Å; E530-I533 PolarHBondContact O-N 2.92Å; E530-E534 PolarHBondContact O-N 3.41Å; E530-T639 HydrophobicContact CB-CG2 4.4Å
531	Q	75.4	Confident	71.6	Confident	27 Å²	27	63.8 Å²	63.8	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-35.1	176.2	-66.1	174.8	-20.8	0	0	112.2	F527 T528 I533 E534 L535 T639 I640	F527-Q531 HydrophobicContact CB-CB 4.06Å; F527-Q531 HydrophobicContact CD1-CB 4.35Å; T528-Q531 PolarHBondContact O-N 3.02Å; T528-Q531 VanDerWaalsContact OG1-CG 3.3Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.37Å; T528-Q531 PolarHBondContact OG1-N 2.64Å; Q531-I533 VanDerWaalsContact C-N 3.33Å; Q531-E534 PolarHBondContact O-N 2.79Å; Q531-L535 WeakPolarHBondContact O-CG 3.34Å; Q531-L535 PolarHBondContact O-N 3.06Å; Q531-T639 HydrophobicContact CG-CG2 3.83Å; Q531-T639 PolarHBondContact NE2-O 3.05Å; Q531-I640 HydrophobicContact CB-CD1 4.04Å; Q531-I640 HydrophobicContact CB-CG1 3.75Å; Q531-I640 HydrophobicContact CG-CD1 4.38Å; Q531-I640 HydrophobicContact CG-CG1 3.53Å
532	K	74.8	Confident	72.9	Confident	33 Å²	33	64.3 Å²	64.3	14%	0.143	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-34.5	172.1	-71	164.7	-178.4	136.5	0	112.5	F527 T528 E529 E530 N536	F527-K532 HydrophobicContact CB-CG 4.03Å; F527-K532 WeakPolarHBondContact O-CE 3.44Å; F527-K532 PolarHBondContact O-NZ 3.32Å; T528-K532 WeakPolarHBondContact O-CG 3.27Å; T528-K532 PolarHBondContact O-N 2.63Å; E529-K532 WeakPolarHBondContact OE1-CD 3.36Å; E529-K532 IonicContact OE1-NZ 3.82Å; E529-K532 PolarHBondContact OE1-NZ 2.88Å; E530-K532 VanDerWaalsContact C-N 3.29Å; E530-K532 PolarHBondContact O-N 3.22Å; K532-N536 VanDerWaalsContact O-CB 3.28Å; K532-N536 WeakPolarHBondContact O-CB 3.46Å; K532-N536 PolarHBondContact O-N 2.7Å; K532-N536 PolarHBondContact O-ND2 2.86Å; K532-N536 VanDerWaalsContact O-ND2 3.11Å
533	I	76.8	Confident	74.4	Confident	67 Å²	67	60.2 Å²	60.2	34%	0.344	29%	0.294	S	S	.	.	H	α-helix	trans	-71	-41.9	175.8	-68.1	163.1	0	0	0	110.4	Q468 E529 E530 Q531 T537	Q468-I533 HydrophobicContact CB-CG1 4.07Å; Q468-I533 HydrophobicContact CG-CG1 4.21Å; E529-I533 WeakPolarHBondContact O-CD1 3.46Å; E529-I533 VanDerWaalsContact O-CG1 3.3Å; E529-I533 WeakPolarHBondContact O-CG1 3.29Å; E529-I533 PolarHBondContact O-N 2.85Å; E530-I533 WeakPolarHBondContact O-CA 3.47Å; E530-I533 WeakPolarHBondContact O-CB 3.32Å; E530-I533 PolarHBondContact O-N 2.92Å; Q531-I533 VanDerWaalsContact C-N 3.33Å; I533-T537 WeakPolarHBondContact O-CB 3.42Å; I533-T537 PolarHBondContact O-N 2.72Å; I533-T537 PolarHBondContact O-OG1 2.92Å
534	E	78.1	Confident	75.8	Confident	28 Å²	28	64.6 Å²	64.6	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-55.5	-57	171.7	-69.1	-169.2	141.8	0	0	111.2	E530 Q531 N536 T537 L538 H638 T639 I640	E530-E534 PolarHBondContact O-N 3.41Å; Q531-E534 PolarHBondContact O-N 2.79Å; E534-N536 PolarHBondContact O-N 3.29Å; E534-T537 WeakPolarHBondContact O-CB 3.49Å; E534-T537 PolarHBondContact O-N 2.72Å; E534-L538 PolarHBondContact O-N 3.47Å; E534-H638 WeakPolarHBondContact OE1-CA 3.33Å; E534-H638 PolarHBondContact OE1-N 3.36Å; E534-T639 PolarHBondContact OE1-N 3.03Å; E534-T639 PolarHBondContact OE2-N 3.21Å; E534-I640 PolarHBondContact OE2-N 3.13Å
535	L	79.5	Confident	77.6	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-38.5	-177	-70.1	173.6	0	0	0	113.3	F527 Q531 T537 L538 L539 F549 T552 I640	F527-L535 HydrophobicContact CD1-CD1 4.18Å; F527-L535 HydrophobicContact CD2-CD1 4.27Å; F527-L535 HydrophobicContact CE1-CD1 4.16Å; F527-L535 HydrophobicContact CE2-CD1 4.26Å; F527-L535 HydrophobicContact CG-CD1 4.24Å; F527-L535 HydrophobicContact CZ-CD1 4.21Å; Q531-L535 WeakPolarHBondContact O-CG 3.34Å; Q531-L535 PolarHBondContact O-N 3.06Å; L535-T537 VanDerWaalsContact C-N 3.31Å; L535-L538 HydrophobicContact CD2-CD1 4.49Å; L535-L538 PolarHBondContact O-N 3.38Å; L535-L539 PolarHBondContact O-N 3.22Å; L535-L539 VanDerWaalsContact O-N 3.13Å; L535-F549 HydrophobicContact CB-CE1 4.43Å; L535-F549 HydrophobicContact CD2-CE1 4.17Å; L535-F549 HydrophobicContact CD2-CZ 3.83Å; L535-T552 HydrophobicContact CD1-CG2 4.12Å; L535-I640 HydrophobicContact CD1-CD1 3.85Å; L535-I640 HydrophobicContact CD2-CD1 3.82Å; L535-I640 HydrophobicContact CG-CD1 3.67Å
536	N	79.1	Confident	79.2	Confident	21 Å²	21	55.1 Å²	55.1	11%	0.112	26%	0.262	C	S	.	.	H	α-helix	trans	-73.8	-21.4	175.5	-82.8	-48.7	0	0	0	113.4	Q468 K532 E534	Q468-N536 PolarHBondContact O-ND2 2.84Å; K532-N536 VanDerWaalsContact O-CB 3.28Å; K532-N536 WeakPolarHBondContact O-CB 3.46Å; K532-N536 PolarHBondContact O-N 2.7Å; K532-N536 PolarHBondContact O-ND2 2.86Å; K532-N536 VanDerWaalsContact O-ND2 3.11Å; E534-N536 PolarHBondContact O-N 3.29Å
537	T	82	Confident	80.6	Confident	29 Å²	29	48.9 Å²	48.9	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-76.5	-41.1	171.8	-54.2	0	0	0	0	110.3	I533 E534 L535 L539 R540 S610 I611	I533-T537 WeakPolarHBondContact O-CB 3.42Å; I533-T537 PolarHBondContact O-N 2.72Å; I533-T537 PolarHBondContact O-OG1 2.92Å; E534-T537 WeakPolarHBondContact O-CB 3.49Å; E534-T537 PolarHBondContact O-N 2.72Å; L535-T537 VanDerWaalsContact C-N 3.31Å; T537-L539 PolarHBondContact O-N 3.5Å; T537-R540 PolarHBondContact O-N 3.06Å; T537-S610 VanDerWaalsContact CG2-OG 3.23Å; T537-S610 WeakPolarHBondContact CG2-OG 3.02Å; T537-I611 HydrophobicContact CG2-CD1 3.87Å; T537-I611 HydrophobicContact CG2-CG1 3.59Å
538	L	83.6	Confident	81.4	Confident	3 Å²	3	50 Å²	50	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-39.7	173.8	-74.7	169.4	0	0	0	113.4	E534 L535 R540 I541 F549 I611 F635 C637	E534-L538 PolarHBondContact O-N 3.47Å; L535-L538 HydrophobicContact CD2-CD1 4.49Å; L535-L538 PolarHBondContact O-N 3.38Å; L538-R540 PolarHBondContact O-N 3.23Å; L538-I541 PolarHBondContact O-N 2.97Å; L538-I541 VanDerWaalsContact O-N 3.13Å; L538-F549 HydrophobicContact CB-CB 4.29Å; L538-F549 HydrophobicContact CB-CD1 3.83Å; L538-F549 HydrophobicContact CB-CG 4.27Å; L538-I611 HydrophobicContact CD2-CD1 3.64Å; L538-I611 HydrophobicContact CG-CD1 3.9Å; L538-F635 HydrophobicContact CD2-CD2 3.49Å; L538-F635 VanDerWaalsContact CD2-CD2 3.49Å; L538-F635 HydrophobicContact CD2-CE2 3.34Å; L538-F635 HydrophobicContact CD2-CG 4.45Å; L538-F635 HydrophobicContact CD2-CZ 4.19Å; L538-C637 WeakPolarHBondContact CD1-SG 3.39Å
539	L	83.1	Confident	82.2	Confident	58 Å²	58	47 Å²	47	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-30.9	178.8	-171.9	66.2	0	0	0	112.9	L535 T537 K548 F549 Y550	L535-L539 PolarHBondContact O-N 3.22Å; L535-L539 VanDerWaalsContact O-N 3.13Å; T537-L539 PolarHBondContact O-N 3.5Å; L539-K548 PolarHBondContact O-NZ 2.64Å; L539-K548 VanDerWaalsContact O-NZ 3.16Å; L539-F549 HydrophobicContact CB-CD1 4.26Å; L539-F549 HydrophobicContact CD1-CD1 4.44Å; L539-Y550 WeakPolarHBondContact CD1-O 3.41Å
540	R	81.3	Confident	82.8	Confident	173 Å²	173	45.6 Å²	45.6	65%	0.653	21%	0.207	S	C	*	.	H	α-helix	trans	-79	-20.3	179.3	-65.4	178.3	-177.2	-161.6	1.1	113.6	T537 L538	T537-R540 PolarHBondContact O-N 3.06Å; L538-R540 PolarHBondContact O-N 3.23Å
541	I	84.4	Confident	83.5	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.041	18%	0.179	C	C	.	.			trans	-74.9	130	-178.8	-71.6	172	0	0	0	109.5	L538 L546 K548 Y605 I611 F635	L538-I541 PolarHBondContact O-N 2.97Å; L538-I541 VanDerWaalsContact O-N 3.13Å; I541-L546 HydrophobicContact CG2-CD1 3.62Å; I541-K548 WeakPolarHBondContact O-CD 3.35Å; I541-K548 PolarHBondContact O-NZ 3.22Å; I541-Y605 HydrophobicContact CG2-CE1 4.44Å; I541-I611 HydrophobicContact CD1-CB 4.27Å; I541-I611 HydrophobicContact CD1-CD1 3.55Å; I541-I611 HydrophobicContact CD1-CG1 3.84Å; I541-F635 HydrophobicContact CD1-CD2 4.42Å; I541-F635 HydrophobicContact CD1-CE2 3.83Å; I541-F635 HydrophobicContact CG2-CE2 4.09Å; I541-F635 HydrophobicContact CG2-CZ 4.21Å
542	D	84.4	Confident	83.9	Confident	111 Å²	111	38.3 Å²	38.3	59%	0.594	17%	0.173	S	C	*	.			trans	-146.1	108.2	174.7	-142.2	-43.1	0	0	0	108.3	K548	D542-K548 HydrophobicContact CB-CD 4.46Å; D542-K548 WeakPolarHBondContact OD2-CD 3.08Å; D542-K548 WeakPolarHBondContact OD2-CE 3.22Å; D542-K548 IonicContact OD2-NZ 2.62Å; D542-K548 PolarHBondContact OD2-NZ 3.2Å
543	Y	86.4	Confident	84.3	Confident	63 Å²	63	36.8 Å²	36.8	25%	0.247	17%	0.166	C	C	.	.			trans	-154.2	143.5	-176.6	-168.2	-102.5	0	0	0	111.1	N545 L546 K601 Y605	Y543-N545 VanDerWaalsContact C-N 3.32Å; Y543-N545 HydrophobicContact CD1-CB 4.18Å; Y543-N545 HydrophobicContact CE1-CB 4.06Å; Y543-N545 PolarHBondContact O-N 3.37Å; Y543-L546 HydrophobicContact CD1-CG 4.37Å; Y543-L546 PolarHBondContact O-N 3Å; Y543-K601 VanDerWaalsContact OH-CE 3.31Å; Y543-K601 WeakPolarHBondContact OH-CE 3.47Å; Y543-Y605 AromaticContact CD1-CD1 3.95Å; Y543-Y605 HydrophobicContact CD1-CD1 3.95Å; Y543-Y605 AromaticContact CD1-CG 3.91Å; Y543-Y605 HydrophobicContact CD1-CG 3.91Å; Y543-Y605 AromaticContact CD2-CD1 3.92Å; Y543-Y605 HydrophobicContact CD2-CD1 3.92Å; Y543-Y605 AromaticContact CD2-CD2 3.45Å; Y543-Y605 HydrophobicContact CD2-CD2 3.45Å; Y543-Y605 VanDerWaalsContact CD2-CD2 3.45Å; Y543-Y605 HydrophobicContact CD2-CE1 4.08Å; Y543-Y605 AromaticContact CD2-CE2 3.62Å; Y543-Y605 HydrophobicContact CD2-CE2 3.62Å; Y543-Y605 AromaticContact CD2-CG 3.6Å; Y543-Y605 HydrophobicContact CD2-CG 3.6Å; Y543-Y605 AromaticContact CD2-CZ 3.94Å; Y543-Y605 HydrophobicContact CE1-CG 4.13Å; Y543-Y605 AromaticContact CE2-CD2 3.56Å; Y543-Y605 HydrophobicContact CE2-CD2 3.56Å; Y543-Y605 HydrophobicContact CE2-CE2 4.09Å; Y543-Y605 AromaticContact CE2-CG 3.82Å; Y543-Y605 HydrophobicContact CE2-CG 3.82Å; Y543-Y605 AromaticContact CG-CD1 3.57Å; Y543-Y605 HydrophobicContact CG-CD1 3.57Å; Y543-Y605 AromaticContact CG-CD2 4Å; Y543-Y605 HydrophobicContact CG-CD2 4Å; Y543-Y605 AromaticContact CG-CE1 3.87Å; Y543-Y605 HydrophobicContact CG-CE1 3.87Å; Y543-Y605 HydrophobicContact CG-CE2 4.25Å; Y543-Y605 AromaticContact CG-CG 3.64Å; Y543-Y605 HydrophobicContact CG-CG 3.64Å
544	Y	83.3	Confident	84.4	Confident	110 Å²	110	38.5 Å²	38.5	43%	0.431	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-37.6	-169	-170.4	-120	0	0	0	114	V629 K631	Y544-V629 HydrophobicContact CD1-CG1 4.23Å; Y544-V629 HydrophobicContact CE1-CB 4.39Å; Y544-V629 HydrophobicContact CE1-CG1 3.63Å; Y544-V629 HydrophobicContact CE1-CG2 4.11Å; Y544-K631 WeakPolarHBondContact O-CE 3.29Å
545	N	89.9	Confident	84.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	16.6	178.2	-62.1	101.7	0	0	0	113.8	Y543 D598 V630 K631 I632	Y543-N545 VanDerWaalsContact C-N 3.32Å; Y543-N545 HydrophobicContact CD1-CB 4.18Å; Y543-N545 HydrophobicContact CE1-CB 4.06Å; Y543-N545 PolarHBondContact O-N 3.37Å; N545-D598 WeakPolarHBondContact ND2-CB 3.48Å; N545-D598 PolarHBondContact ND2-OD1 3.22Å; N545-V630 PolarHBondContact ND2-O 3.11Å; N545-K631 CarbonylContact O-C 3.51Å; N545-K631 WeakPolarHBondContact O-CA 3.46Å; N545-I632 PolarHBondContact O-N 3.45Å
546	L	91.1	Very high	83.7	Confident	3 Å²	3	49 Å²	49	2%	0.016	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-123.2	147.6	171.8	-61.5	-176.9	0	0	0	110	I541 Y543 Y605 L606 I632 F635	I541-L546 HydrophobicContact CG2-CD1 3.62Å; Y543-L546 HydrophobicContact CD1-CG 4.37Å; Y543-L546 PolarHBondContact O-N 3Å; L546-Y605 HydrophobicContact CD1-CD1 3.76Å; L546-Y605 HydrophobicContact CD1-CE1 4.01Å; L546-L606 HydrophobicContact CD1-CD1 4.31Å; L546-I632 HydrophobicContact CD2-CB 3.83Å; L546-I632 HydrophobicContact CD2-CD1 4.39Å; L546-I632 HydrophobicContact CD2-CG1 4.35Å; L546-F635 HydrophobicContact CB-CE1 4.07Å; L546-F635 HydrophobicContact CB-CZ 4.02Å; L546-F635 HydrophobicContact CD1-CE2 4.33Å; L546-F635 HydrophobicContact CD1-CZ 4.1Å; L546-F635 HydrophobicContact CD2-CD1 4.41Å; L546-F635 HydrophobicContact CD2-CE1 4.15Å; L546-F635 HydrophobicContact CG-CE1 4.48Å; L546-F635 HydrophobicContact CG-CZ 4.45Å
547	T	90	Very high	83.1	Confident	3 Å²	3	53 Å²	53	2%	0.018	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-75.6	130.5	174.5	56.8	0	0	0	0	111.3	V623 K631 I632 T633	T547-V623 HydrophobicContact CG2-CG2 3.54Å; T547-K631 HydrophobicContact CG2-CB 3.93Å; T547-I632 PolarHBondContact N-O 3.05Å; T547-I632 PolarHBondContact OG1-O 3.21Å; T547-T633 WeakPolarHBondContact OG1-CA 3.32Å; T547-T633 WeakPolarHBondContact OG1-CB 3.45Å; T547-T633 PolarHBondContact OG1-OG1 2.82Å
548	K	89.2	Confident	82.6	Confident	33 Å²	33	52.9 Å²	52.9	14%	0.143	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.4	134	175.9	-173	66.3	-173.6	-171	0	111.8	L539 I541 D542 Y550 F563 E564	L539-K548 PolarHBondContact O-NZ 2.64Å; L539-K548 VanDerWaalsContact O-NZ 3.16Å; I541-K548 WeakPolarHBondContact O-CD 3.35Å; I541-K548 PolarHBondContact O-NZ 3.22Å; D542-K548 HydrophobicContact CB-CD 4.46Å; D542-K548 WeakPolarHBondContact OD2-CD 3.08Å; D542-K548 WeakPolarHBondContact OD2-CE 3.22Å; D542-K548 IonicContact OD2-NZ 2.62Å; D542-K548 PolarHBondContact OD2-NZ 3.2Å; K548-Y550 HydrophobicContact CB-CE2 4.18Å; K548-Y550 HydrophobicContact CG-CD1 4.24Å; K548-Y550 HydrophobicContact CG-CE1 3.82Å; K548-Y550 HydrophobicContact CG-CE2 4.18Å; K548-F563 CarbonylContact O-C 3.58Å; K548-F563 WeakPolarHBondContact O-CA 3.23Å; K548-E564 HydrophobicContact CB-CB 4.29Å; K548-E564 PolarHBondContact N-OE2 2.74Å; K548-E564 VanDerWaalsContact N-OE2 3.11Å; K548-E564 PolarHBondContact O-N 3.13Å
549	F	89.1	Confident	82.4	Confident	4 Å²	4	53 Å²	53	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.2	165.7	179.2	-116.1	0	0	0	110	L535 L538 L539 G551 T552 V562 F563	L535-F549 HydrophobicContact CB-CE1 4.43Å; L535-F549 HydrophobicContact CD2-CE1 4.17Å; L535-F549 HydrophobicContact CD2-CZ 3.83Å; L538-F549 HydrophobicContact CB-CB 4.29Å; L538-F549 HydrophobicContact CB-CD1 3.83Å; L538-F549 HydrophobicContact CB-CG 4.27Å; L539-F549 HydrophobicContact CB-CD1 4.26Å; L539-F549 HydrophobicContact CD1-CD1 4.44Å; F549-G551 WeakPolarHBondContact CE2-O 3.33Å; F549-G551 VanDerWaalsContact CZ-C 3.45Å; F549-G551 VanDerWaalsContact CZ-O 3.27Å; F549-G551 WeakPolarHBondContact CZ-O 3.37Å; F549-T552 HydrophobicContact CZ-CG2 4.04Å; F549-V562 WeakPolarHBondContact CD2-O 3.26Å; F549-F563 HydrophobicContact CB-CD1 4.11Å; F549-F563 HydrophobicContact CB-CE1 4.06Å; F549-F563 AromaticContact CD2-CD1 3.81Å; F549-F563 HydrophobicContact CD2-CD1 3.81Å; F549-F563 HydrophobicContact CD2-CD2 4.27Å; F549-F563 AromaticContact CD2-CE1 3.5Å; F549-F563 HydrophobicContact CD2-CE1 3.5Å; F549-F563 VanDerWaalsContact CD2-CE1 3.5Å; F549-F563 AromaticContact CD2-CE2 3.98Å; F549-F563 HydrophobicContact CD2-CE2 3.98Å; F549-F563 HydrophobicContact CD2-CG 4.19Å; F549-F563 AromaticContact CD2-CZ 3.59Å; F549-F563 HydrophobicContact CD2-CZ 3.59Å; F549-F563 HydrophobicContact CE2-CE1 4.31Å; F549-F563 HydrophobicContact CE2-CE2 4.12Å; F549-F563 AromaticContact CE2-CZ 3.94Å; F549-F563 HydrophobicContact CE2-CZ 3.94Å; F549-F563 HydrophobicContact CG-CD1 4.44Å; F549-F563 HydrophobicContact CG-CE1 4.12Å
550	Y	85.9	Confident	82.4	Confident	49 Å²	49	50.7 Å²	50.7	19%	0.192	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-20.4	-175.2	-66	-77.3	0	0	0	114	Y510 V515 L539 K548 V562 E564	Y510-Y550 HydrophobicContact CD1-CD1 4.2Å; Y510-Y550 HydrophobicContact CD1-CG 4.36Å; Y510-Y550 HydrophobicContact CE1-CD1 4.15Å; V515-Y550 HydrophobicContact CG1-CD2 3.88Å; V515-Y550 HydrophobicContact CG1-CE2 3.83Å; L539-Y550 WeakPolarHBondContact CD1-O 3.41Å; K548-Y550 HydrophobicContact CB-CE2 4.18Å; K548-Y550 HydrophobicContact CG-CD1 4.24Å; K548-Y550 HydrophobicContact CG-CE1 3.82Å; K548-Y550 HydrophobicContact CG-CE2 4.18Å; Y550-V562 HydrophobicContact CD2-CG1 4.41Å; Y550-V562 PolarHBondContact N-O 2.84Å; Y550-E564 HydrophobicContact CE2-CB 4.2Å
551	G	85.4	Confident	82.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.4	-168.9	-178	0	0	0	0	0	112.7	F549 V562	F549-G551 WeakPolarHBondContact CE2-O 3.33Å; F549-G551 VanDerWaalsContact CZ-C 3.45Å; F549-G551 VanDerWaalsContact CZ-O 3.27Å; F549-G551 WeakPolarHBondContact CZ-O 3.37Å; G551-V562 PolarHBondContact O-N 2.98Å
552	T	84.5	Confident	82.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.8	176.4	58.9	0	0	0	0	111.5	S472 H473 L474 L520 F527 L535 F549 F560	S472-T552 PolarHBondContact O-N 2.77Å; S472-T552 PolarHBondContact O-OG1 3.39Å; H473-T552 CarbonylContact C-O 3.58Å; H473-T552 VanDerWaalsContact CA-O 3.3Å; H473-T552 WeakPolarHBondContact CA-O 3.49Å; H473-T552 PolarHBondContact CE1-OG1 2.94Å; H473-T552 PolarHBondContact ND1-O 3.3Å; H473-T552 PolarHBondContact ND1-OG1 2.86Å; L474-T552 PolarHBondContact N-O 2.86Å; L520-T552 HydrophobicContact CD1-CG2 4.01Å; F527-T552 HydrophobicContact CE2-CG2 4.34Å; F527-T552 HydrophobicContact CZ-CG2 4.37Å; L535-T552 HydrophobicContact CD1-CG2 4.12Å; F549-T552 HydrophobicContact CZ-CG2 4.04Å; T552-F560 CarbonylContact C-O 3.56Å; T552-F560 VanDerWaalsContact CA-O 3.27Å; T552-F560 WeakPolarHBondContact CA-O 2.98Å
553	V	82.7	Confident	82.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.1	172.8	59.4	0	0	0	0	109.9	P476 I479 L517 F555 V559 F560 V562	P476-V553 HydrophobicContact CB-CG2 4.29Å; P476-V553 HydrophobicContact CG-CG2 3.92Å; I479-V553 HydrophobicContact CD1-CB 3.85Å; I479-V553 HydrophobicContact CD1-CG1 3.69Å; I479-V553 HydrophobicContact CD1-CG2 3.96Å; L517-V553 HydrophobicContact CD2-CG1 4.4Å; V553-F555 HydrophobicContact CB-CE2 4.3Å; V553-F555 HydrophobicContact CG1-CD2 4.1Å; V553-F555 HydrophobicContact CG1-CE2 3.51Å; V553-F555 HydrophobicContact CG1-CZ 4.26Å; V553-F555 HydrophobicContact CG2-CD2 4.16Å; V553-F555 HydrophobicContact CG2-CE1 4.36Å; V553-F555 HydrophobicContact CG2-CE2 3.74Å; V553-F555 HydrophobicContact CG2-CZ 3.85Å; V553-V559 WeakPolarHBondContact O-CA 3.39Å; V553-F560 HydrophobicContact CG1-CB 3.95Å; V553-F560 PolarHBondContact N-O 3.01Å; V553-F560 PolarHBondContact O-N 2.83Å; V553-V562 HydrophobicContact CB-CG2 4.37Å; V553-V562 HydrophobicContact CG1-CG2 3.86Å
554	K	79.6	Confident	82.9	Confident	103 Å²	103	36.6 Å²	36.6	45%	0.448	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.5	174	-173.4	169.2	-171.4	172.8	0	109.4	P476 V559	P476-K554 WeakPolarHBondContact CG-O 3.3Å; K554-V559 HydrophobicContact CD-CG2 4.45Å; K554-V559 HydrophobicContact CG-CG2 4.2Å
555	F	73.6	Confident	83	Confident	50 Å²	50	31.8 Å²	31.8	22%	0.219	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	168.4	169.5	-66.8	-76.5	0	0	0	109.8	P476 I479 L517 V553 Y557 G558 F560	P476-F555 HydrophobicContact CB-CD1 4.19Å; P476-F555 HydrophobicContact CB-CE1 3.83Å; I479-F555 HydrophobicContact CD1-CZ 4.47Å; L517-F555 HydrophobicContact CD1-CE2 4.13Å; V553-F555 HydrophobicContact CB-CE2 4.3Å; V553-F555 HydrophobicContact CG1-CD2 4.1Å; V553-F555 HydrophobicContact CG1-CE2 3.51Å; V553-F555 HydrophobicContact CG1-CZ 4.26Å; V553-F555 HydrophobicContact CG2-CD2 4.16Å; V553-F555 HydrophobicContact CG2-CE1 4.36Å; V553-F555 HydrophobicContact CG2-CE2 3.74Å; V553-F555 HydrophobicContact CG2-CZ 3.85Å; F555-Y557 HydrophobicContact CB-CD1 3.98Å; F555-Y557 HydrophobicContact CB-CE1 3.64Å; F555-Y557 HydrophobicContact CG-CE1 4.16Å; F555-Y557 PolarHBondContact O-N 3.02Å; F555-G558 PolarHBondContact N-O 3.13Å; F555-G558 PolarHBondContact O-N 3.28Å; F555-F560 AromaticContact CD2-CD2 3.77Å; F555-F560 HydrophobicContact CD2-CD2 3.77Å; F555-F560 HydrophobicContact CD2-CE2 4.09Å; F555-F560 HydrophobicContact CE2-CD2 4.47Å
556	E	68.6	Low	82.6	Confident	207 Å²	207	31.9 Å²	31.9	97%	0.967	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.5	178.3	-59	-179.2	153.6	0	0	114.4
557	Y	67.3	Low	81.8	Confident	104 Å²	104	34 Å²	34	41%	0.408	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	10.9	-172.7	58	-88.1	0	0	0	113.8	F555 F560	F555-Y557 HydrophobicContact CB-CD1 3.98Å; F555-Y557 HydrophobicContact CB-CE1 3.64Å; F555-Y557 HydrophobicContact CG-CE1 4.16Å; F555-Y557 PolarHBondContact O-N 3.02Å; Y557-F560 HydrophobicContact CD2-CE2 4.03Å; Y557-F560 AromaticContact CD2-CZ 3.87Å; Y557-F560 HydrophobicContact CD2-CZ 3.87Å; Y557-F560 AromaticContact CE2-CE2 3.75Å; Y557-F560 HydrophobicContact CE2-CE2 3.75Å; Y557-F560 AromaticContact CE2-CZ 3.53Å; Y557-F560 HydrophobicContact CE2-CZ 3.53Å
558	G	72.2	Confident	81	Confident	26 Å²	26	37.8 Å²	37.8	27%	0.268	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.7	172.4	174.3	0	0	0	0	0	115.2	F555 F560	F555-G558 PolarHBondContact N-O 3.13Å; F555-G558 PolarHBondContact O-N 3.28Å; G558-F560 WeakPolarHBondContact O-CE2 3.11Å
559	V	78.8	Confident	80.7	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.036	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.1	171.6	-168.2	0	0	0	0	109.4	L520 F527 V553 K554	L520-V559 HydrophobicContact CD1-CG1 4.32Å; L520-V559 PolarHBondContact N-O 2.86Å; F527-V559 HydrophobicContact CE2-CG1 4.07Å; F527-V559 HydrophobicContact CZ-CG1 3.84Å; V553-V559 WeakPolarHBondContact O-CA 3.39Å; K554-V559 HydrophobicContact CD-CG2 4.45Å; K554-V559 HydrophobicContact CG-CG2 4.2Å
560	F	83.4	Confident	80.5	Confident	9 Å²	9	37.1 Å²	37.1	4%	0.039	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.2	-176.1	-61.3	-101.9	0	0	0	110.7	L517 K518 E519 T552 V553 F555 Y557 G558	L517-F560 HydrophobicContact CB-CB 4.21Å; L517-F560 HydrophobicContact CB-CD1 4.15Å; L517-F560 HydrophobicContact CB-CG 4.43Å; K518-F560 CarbonylContact O-C 3.57Å; K518-F560 VanDerWaalsContact O-CA 3.26Å; K518-F560 WeakPolarHBondContact O-CA 3.46Å; E519-F560 HydrophobicContact CB-CD1 3.93Å; E519-F560 HydrophobicContact CB-CE1 3.66Å; E519-F560 HydrophobicContact CB-CZ 4.42Å; E519-F560 HydrophobicContact CG-CD1 4.35Å; E519-F560 HydrophobicContact CG-CE1 3.79Å; E519-F560 HydrophobicContact CG-CZ 4.05Å; T552-F560 CarbonylContact C-O 3.56Å; T552-F560 VanDerWaalsContact CA-O 3.27Å; T552-F560 WeakPolarHBondContact CA-O 2.98Å; V553-F560 HydrophobicContact CG1-CB 3.95Å; V553-F560 PolarHBondContact N-O 3.01Å; V553-F560 PolarHBondContact O-N 2.83Å; F555-F560 AromaticContact CD2-CD2 3.77Å; F555-F560 HydrophobicContact CD2-CD2 3.77Å; F555-F560 HydrophobicContact CD2-CE2 4.09Å; F555-F560 HydrophobicContact CE2-CD2 4.47Å; Y557-F560 HydrophobicContact CD2-CE2 4.03Å; Y557-F560 AromaticContact CD2-CZ 3.87Å; Y557-F560 HydrophobicContact CD2-CZ 3.87Å; Y557-F560 AromaticContact CE2-CE2 3.75Å; Y557-F560 HydrophobicContact CE2-CE2 3.75Å; Y557-F560 AromaticContact CE2-CZ 3.53Å; Y557-F560 HydrophobicContact CE2-CZ 3.53Å; G558-F560 WeakPolarHBondContact O-CE2 3.11Å
561	G	84.5	Confident	80.6	Confident	1 Å²	1	35 Å²	35	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.9	164.9	0	0	0	0	0	110.4	K518 F563	K518-G561 PolarHBondContact N-O 3.23Å; K518-G561 PolarHBondContact O-N 3Å; G561-F563 WeakPolarHBondContact O-CD2 3.41Å
562	V	87.3	Confident	80.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.7	-179.6	-172.5	0	0	0	0	108.9	L474 I479 V515 L517 F549 Y550 G551 V553	L474-V562 HydrophobicContact CD1-CB 4.02Å; L474-V562 HydrophobicContact CD1-CG1 4.28Å; L474-V562 HydrophobicContact CD1-CG2 3.86Å; I479-V562 HydrophobicContact CD1-CG2 4.02Å; V515-V562 HydrophobicContact CB-CG1 3.81Å; V515-V562 HydrophobicContact CG1-CG1 3.99Å; V515-V562 HydrophobicContact CG2-CG1 3.92Å; L517-V562 HydrophobicContact CD2-CB 4.38Å; L517-V562 HydrophobicContact CD2-CG1 4.16Å; L517-V562 HydrophobicContact CD2-CG2 3.8Å; F549-V562 WeakPolarHBondContact CD2-O 3.26Å; Y550-V562 HydrophobicContact CD2-CG1 4.41Å; Y550-V562 PolarHBondContact N-O 2.84Å; G551-V562 PolarHBondContact O-N 2.98Å; V553-V562 HydrophobicContact CB-CG2 4.37Å; V553-V562 HydrophobicContact CG1-CG2 3.86Å
563	F	88.1	Confident	80.4	Confident	12 Å²	12	43.2 Å²	43.2	5%	0.053	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.1	-178.1	-63.8	-94.8	0	0	0	111.3	V515 I516 K518 K548 F549 G561	V515-F563 CarbonylContact C-O 3.53Å; V515-F563 WeakPolarHBondContact CA-O 3.32Å; V515-F563 VanDerWaalsContact CB-O 3.3Å; V515-F563 WeakPolarHBondContact CB-O 3.46Å; I516-F563 HydrophobicContact CG2-CB 3.8Å; I516-F563 PolarHBondContact N-O 3.13Å; I516-F563 PolarHBondContact O-N 2.92Å; K518-F563 HydrophobicContact CB-CD2 4.09Å; K518-F563 HydrophobicContact CB-CE2 4.09Å; K518-F563 HydrophobicContact CD-CD2 4.07Å; K518-F563 HydrophobicContact CD-CE2 4.24Å; K518-F563 HydrophobicContact CG-CD2 4.12Å; K518-F563 HydrophobicContact CG-CE2 4.47Å; K548-F563 CarbonylContact O-C 3.58Å; K548-F563 WeakPolarHBondContact O-CA 3.23Å; F549-F563 HydrophobicContact CB-CD1 4.11Å; F549-F563 HydrophobicContact CB-CE1 4.06Å; F549-F563 AromaticContact CD2-CD1 3.81Å; F549-F563 HydrophobicContact CD2-CD1 3.81Å; F549-F563 HydrophobicContact CD2-CD2 4.27Å; F549-F563 AromaticContact CD2-CE1 3.5Å; F549-F563 HydrophobicContact CD2-CE1 3.5Å; F549-F563 VanDerWaalsContact CD2-CE1 3.5Å; F549-F563 AromaticContact CD2-CE2 3.98Å; F549-F563 HydrophobicContact CD2-CE2 3.98Å; F549-F563 HydrophobicContact CD2-CG 4.19Å; F549-F563 AromaticContact CD2-CZ 3.59Å; F549-F563 HydrophobicContact CD2-CZ 3.59Å; F549-F563 HydrophobicContact CE2-CE1 4.31Å; F549-F563 HydrophobicContact CE2-CE2 4.12Å; F549-F563 AromaticContact CE2-CZ 3.94Å; F549-F563 HydrophobicContact CE2-CZ 3.94Å; F549-F563 HydrophobicContact CG-CD1 4.44Å; F549-F563 HydrophobicContact CG-CE1 4.12Å; G561-F563 WeakPolarHBondContact O-CD2 3.41Å
564	E	87.3	Confident	80.3	Confident	47 Å²	47	43.2 Å²	43.2	22%	0.22	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	128.9	171	-172.2	-176.7	-175.5	0	0	112.7	K548 Y550 C566 K631	K548-E564 HydrophobicContact CB-CB 4.29Å; K548-E564 PolarHBondContact N-OE2 2.74Å; K548-E564 VanDerWaalsContact N-OE2 3.11Å; K548-E564 PolarHBondContact O-N 3.13Å; Y550-E564 HydrophobicContact CE2-CB 4.2Å; E564-C566 PolarHBondContact O-N 2.88Å; E564-K631 IonicContact OE1-NZ 2.79Å; E564-K631 PolarHBondContact OE1-NZ 3.42Å; E564-K631 IonicContact OE2-NZ 2.72Å; E564-K631 PolarHBondContact OE2-NZ 2.7Å
565	L	84.3	Confident	80.5	Confident	9 Å²	9	38.4 Å²	38.4	5%	0.047	18%	0.178	C	C	.	.			trans	-83.8	111.1	177.5	176.4	59.8	0	0	0	111.5	L482 V487 R507 P514 I516 Q567	L482-L565 HydrophobicContact CD2-CD2 3.93Å; V487-L565 HydrophobicContact CG1-CD2 4Å; R507-L565 HydrophobicContact CG-CD2 4.15Å; P514-L565 HydrophobicContact CB-CB 4.2Å; P514-L565 HydrophobicContact CB-CD2 4.22Å; P514-L565 PolarHBondContact O-N 3.35Å; P514-L565 VanDerWaalsContact O-N 3.16Å; I516-L565 HydrophobicContact CB-CB 4.38Å; I516-L565 HydrophobicContact CB-CD1 4.11Å; I516-L565 HydrophobicContact CD1-CD1 4.37Å; L565-Q567 PolarHBondContact O-N 2.9Å
566	C	82.9	Confident	80.8	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.02	19%	0.191	C	C	.	.			trans	-86.5	106.8	171.2	-69.1	0	0	0	0	109.6	E564 R568 G569 V623 V624 Y1073	E564-C566 PolarHBondContact O-N 2.88Å; C566-R568 VanDerWaalsContact C-N 3.29Å; C566-R568 PolarHBondContact O-N 3.14Å; C566-G569 PolarHBondContact O-N 3Å; C566-V623 HydrophobicContact CB-CB 3.91Å; C566-V623 HydrophobicContact CB-CG2 3.87Å; C566-V623 VanDerWaalsContact SG-CG2 3.6Å; C566-V624 CarbonylContact C-O 3.52Å; C566-V624 WeakPolarHBondContact CB-O 3.42Å; C566-Y1073 PolarHBondContact N-OH 3.38Å
567	Q	73.5	Confident	81.1	Confident	47 Å²	47	31.8 Å²	31.8	22%	0.22	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.5	-160.8	-52.2	-174.8	1.5	0	0	114.4	V487 L565 G569 N626	V487-Q567 HydrophobicContact CG1-CB 4.44Å; V487-Q567 HydrophobicContact CG1-CG 3.89Å; L565-Q567 PolarHBondContact O-N 2.9Å; Q567-G569 VanDerWaalsContact C-N 3.32Å; Q567-N626 VanDerWaalsContact CB-OD1 3.3Å; Q567-N626 WeakPolarHBondContact CB-OD1 3.2Å; Q567-N626 VanDerWaalsContact CD-ND2 3.3Å; Q567-N626 WeakPolarHBondContact CG-OD1 3.07Å; Q567-N626 PolarHBondContact OE1-ND2 2.84Å; Q567-N626 PolarHBondContact OE1-OD1 2.86Å
568	R	74.1	Confident	81.2	Confident	83 Å²	83	32.2 Å²	32.2	31%	0.313	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.3	176.7	-58.3	-174.6	-178.8	-100	1.9	113.7	C566 I574 Y581 V624 D625 N626 M628	C566-R568 VanDerWaalsContact C-N 3.29Å; C566-R568 PolarHBondContact O-N 3.14Å; R568-I574 HydrophobicContact CB-CD1 4.12Å; R568-Y581 PolarHBondContact NH1-OH 3.09Å; R568-V624 HydrophobicContact CB-CB 4.25Å; R568-V624 HydrophobicContact CB-CG1 4.44Å; R568-V624 WeakPolarHBondContact CB-O 3.38Å; R568-V624 PolarHBondContact N-O 3.35Å; R568-D625 VanDerWaalsContact CD-O 3.3Å; R568-D625 WeakPolarHBondContact CD-O 3.03Å; R568-D625 PolarHBondContact NE-O 3.05Å; R568-N626 PolarHBondContact NE-O 2.86Å; R568-N626 PolarHBondContact NH2-O 3.17Å; R568-N626 VanDerWaalsContact NH2-O 3.13Å; R568-M628 WeakPolarHBondContact CD-SD 3.19Å; R568-M628 PolarHBondContact NE-SD 3.34Å
569	G	81.3	Confident	80.9	Confident	13 Å²	13	38 Å²	38	13%	0.134	18%	0.176	C	C	.	.			trans	75.7	-151.7	179.3	0	0	0	0	0	113.2	C566 Q567 V623 V624	C566-G569 PolarHBondContact O-N 3Å; Q567-G569 VanDerWaalsContact C-N 3.32Å; G569-V623 CarbonylContact O-C 3.59Å; G569-V623 VanDerWaalsContact O-CA 3.32Å; G569-V623 WeakPolarHBondContact O-CA 3.32Å; G569-V624 PolarHBondContact O-N 3Å
570	S	86.1	Confident	79.9	Confident	10 Å²	10	39.7 Å²	39.7	7%	0.07	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-84.9	153.3	-178.1	62.4	0	0	0	0	113.4	R572 Y573 I574 T620 C622	S570-R572 VanDerWaalsContact C-N 3.25Å; S570-R572 PolarHBondContact O-N 3.34Å; S570-Y573 WeakPolarHBondContact O-CB 3.37Å; S570-Y573 PolarHBondContact O-N 3Å; S570-I574 PolarHBondContact O-N 2.84Å; S570-T620 VanDerWaalsContact CB-O 3.25Å; S570-T620 WeakPolarHBondContact CB-O 3.19Å; S570-C622 CarbonylContact C-O 3.54Å; S570-C622 VanDerWaalsContact CA-O 3.3Å; S570-C622 WeakPolarHBondContact CA-O 3.02Å
571	L	86.6	Confident	79.3	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-38.3	176.9	177.1	60.4	0	0	0	111.5	Y573 I574 L575 V595 I599 S619 C622 I671 I675	L571-Y573 PolarHBondContact O-N 3.13Å; L571-I574 PolarHBondContact O-N 3.37Å; L571-I574 VanDerWaalsContact O-N 3.14Å; L571-L575 HydrophobicContact CD1-CD1 4.36Å; L571-L575 HydrophobicContact CD1-CD2 4.48Å; L571-L575 HydrophobicContact CD1-CG 4.09Å; L571-L575 HydrophobicContact CG-CD1 4.01Å; L571-L575 HydrophobicContact CG-CG 4.22Å; L571-L575 WeakPolarHBondContact O-CG 3.48Å; L571-L575 PolarHBondContact O-N 3.04Å; L571-V595 HydrophobicContact CD1-CG1 3.82Å; L571-V595 HydrophobicContact CD2-CG1 3.79Å; L571-V595 HydrophobicContact CG-CG1 4.49Å; L571-I599 HydrophobicContact CD2-CD1 3.86Å; L571-S619 PolarHBondContact N-O 2.67Å; L571-C622 HydrophobicContact CB-CB 3.97Å; L571-C622 HydrophobicContact CD2-CB 4.15Å; L571-C622 PolarHBondContact N-O 3.2Å; L571-I671 HydrophobicContact CD2-CG2 4.32Å; L571-I675 HydrophobicContact CD2-CD1 3.93Å; L571-I675 HydrophobicContact CD2-CG1 4Å
572	R	85.5	Confident	78.6	Confident	40 Å²	40	42.5 Å²	42.5	15%	0.151	20%	0.204	C	C	.	.	H	α-helix	trans	-55.3	-34.7	173.8	-172	74.6	-160.8	87.8	12.1	113	S570 N576 S619 T620 E674	S570-R572 VanDerWaalsContact C-N 3.25Å; S570-R572 PolarHBondContact O-N 3.34Å; R572-N576 VanDerWaalsContact CZ-OD1 3.23Å; R572-N576 PolarHBondContact NH1-OD1 3.03Å; R572-N576 PolarHBondContact NH2-ND2 2.81Å; R572-N576 PolarHBondContact NH2-OD1 3.34Å; R572-N576 PolarHBondContact O-N 2.99Å; R572-S619 VanDerWaalsContact CD-OG 3.23Å; R572-S619 WeakPolarHBondContact CD-OG 3.39Å; R572-S619 PolarHBondContact N-O 3.44Å; R572-T620 HydrophobicContact CB-CG2 3.66Å; R572-T620 HydrophobicContact CG-CG2 3.83Å; R572-E674 VanDerWaalsContact CD-OE2 3.28Å; R572-E674 WeakPolarHBondContact CD-OE2 3.11Å; R572-E674 IonicContact NE-OE2 3.06Å
573	Y	81.1	Confident	77.5	Confident	133 Å²	133	45.6 Å²	45.6	52%	0.522	22%	0.22	S	C	.	.	H	α-helix	trans	-69.8	-47.1	175.7	177.6	-107.8	0	0	0	111.5	S570 L571 L575 N576 D577	S570-Y573 WeakPolarHBondContact O-CB 3.37Å; S570-Y573 PolarHBondContact O-N 3Å; L571-Y573 PolarHBondContact O-N 3.13Å; Y573-L575 VanDerWaalsContact C-N 3.34Å; Y573-L575 PolarHBondContact O-N 3.25Å; Y573-N576 PolarHBondContact O-N 3.18Å; Y573-N576 VanDerWaalsContact O-N 3.09Å; Y573-D577 PolarHBondContact O-N 2.87Å
574	I	80.9	Confident	76.1	Confident	1 Å²	1	54 Å²	54	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-40.4	177.3	-63.6	177.6	0	0	0	111.5	R568 S570 L571 N576 D577 Y581 V624 M628 R678	R568-I574 HydrophobicContact CB-CD1 4.12Å; S570-I574 PolarHBondContact O-N 2.84Å; L571-I574 PolarHBondContact O-N 3.37Å; L571-I574 VanDerWaalsContact O-N 3.14Å; I574-N576 VanDerWaalsContact C-N 3.28Å; I574-N576 PolarHBondContact O-N 3.17Å; I574-D577 PolarHBondContact O-N 2.89Å; I574-Y581 HydrophobicContact CB-CD2 4.36Å; I574-Y581 HydrophobicContact CB-CE2 4.19Å; I574-Y581 HydrophobicContact CG1-CE2 3.94Å; I574-Y581 HydrophobicContact CG2-CD2 3.74Å; I574-Y581 HydrophobicContact CG2-CE2 3.86Å; I574-Y581 HydrophobicContact CG2-CG 4.11Å; I574-V624 HydrophobicContact CD1-CB 3.71Å; I574-V624 HydrophobicContact CD1-CG1 3.98Å; I574-V624 HydrophobicContact CD1-CG2 3.71Å; I574-M628 HydrophobicContact CD1-CE 4.31Å; I574-R678 PolarHBondContact O-NH2 2.66Å
575	L	82.7	Confident	74.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-28.7	175.5	-68.1	176	0	0	0	112.6	L571 Y573 M587 E674 I675 R678	L571-L575 HydrophobicContact CD1-CD1 4.36Å; L571-L575 HydrophobicContact CD1-CD2 4.48Å; L571-L575 HydrophobicContact CD1-CG 4.09Å; L571-L575 HydrophobicContact CG-CD1 4.01Å; L571-L575 HydrophobicContact CG-CG 4.22Å; L571-L575 WeakPolarHBondContact O-CG 3.48Å; L571-L575 PolarHBondContact O-N 3.04Å; Y573-L575 VanDerWaalsContact C-N 3.34Å; Y573-L575 PolarHBondContact O-N 3.25Å; L575-M587 HydrophobicContact CD2-CE 3.76Å; L575-E674 HydrophobicContact CD1-CB 4.09Å; L575-I675 HydrophobicContact CD1-CG1 4.18Å; L575-R678 HydrophobicContact CB-CG 4.45Å; L575-R678 HydrophobicContact CD2-CG 4.31Å; L575-R678 WeakPolarHBondContact O-CG 3.45Å; L575-R678 PolarHBondContact O-NE 3.28Å
576	N	80	Confident	73.7	Confident	95 Å²	95	58.5 Å²	58.5	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-80.8	-34.2	173.2	-76.7	-20.9	0	0	0	113.3	R572 Y573 I574 R578	R572-N576 VanDerWaalsContact CZ-OD1 3.23Å; R572-N576 PolarHBondContact NH1-OD1 3.03Å; R572-N576 PolarHBondContact NH2-ND2 2.81Å; R572-N576 PolarHBondContact NH2-OD1 3.34Å; R572-N576 PolarHBondContact O-N 2.99Å; Y573-N576 PolarHBondContact O-N 3.18Å; Y573-N576 VanDerWaalsContact O-N 3.09Å; I574-N576 VanDerWaalsContact C-N 3.28Å; I574-N576 PolarHBondContact O-N 3.17Å; N576-R578 PolarHBondContact O-N 3.39Å
577	D	74.6	Confident	73.2	Confident	24 Å²	24	58.6 Å²	58.6	13%	0.128	29%	0.287	C	S	.	.			trans	-78.6	80.4	-175.3	-172.8	-2.7	0	0	0	112.8	Y573 I574 I579 S580 Y581 R678	Y573-D577 PolarHBondContact O-N 2.87Å; I574-D577 PolarHBondContact O-N 2.89Å; D577-I579 PolarHBondContact O-N 3.35Å; D577-I579 WeakPolarHBondContact OD1-CB 3.33Å; D577-I579 PolarHBondContact OD1-N 3.27Å; D577-S580 VanDerWaalsContact CG-OG 3.31Å; D577-S580 PolarHBondContact OD1-N 2.98Å; D577-S580 PolarHBondContact OD1-OG 3.06Å; D577-S580 WeakPolarHBondContact OD2-CB 3.2Å; D577-S580 PolarHBondContact OD2-OG 2.84Å; D577-Y581 HydrophobicContact CB-CD2 4.18Å; D577-Y581 PolarHBondContact O-N 3.12Å; D577-R678 VanDerWaalsContact C-NH2 3.33Å; D577-R678 PolarHBondContact O-NH2 2.78Å
578	R	70.8	Confident	73.3	Confident	112 Å²	112	58.9 Å²	58.9	42%	0.423	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.9	173.3	-63.7	-173.6	-179	-127.7	6.2	114.1	N576 D583 R678	N576-R578 PolarHBondContact O-N 3.39Å; R578-D583 IonicContact CZ-OD2 2.7Å; R578-D583 IonicContact NE-OD2 3.49Å; R578-D583 IonicContact NH1-OD2 3.88Å; R578-D583 PolarHBondContact NH1-OD2 3.37Å; R578-R678 PolarHBondContact NH2-O 3.1Å
579	I	64.8	Low	73.5	Confident	149 Å²	149	56.9 Å²	56.9	76%	0.764	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-47.9	-179.1	-57.3	174.9	0	0	0	110.4	D577	D577-I579 PolarHBondContact O-N 3.35Å; D577-I579 WeakPolarHBondContact OD1-CB 3.33Å; D577-I579 PolarHBondContact OD1-N 3.27Å
580	S	59	Low	73.3	Confident	41 Å²	41	59.1 Å²	59.1	29%	0.287	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-26.9	175.5	-52.6	0	0	0	0	112.8	K490 D577	K490-S580 PolarHBondContact NZ-OG 3.46Å; D577-S580 VanDerWaalsContact CG-OG 3.31Å; D577-S580 PolarHBondContact OD1-N 2.98Å; D577-S580 PolarHBondContact OD1-OG 3.06Å; D577-S580 WeakPolarHBondContact OD2-CB 3.2Å; D577-S580 PolarHBondContact OD2-OG 2.84Å
581	Y	69.1	Low	72.9	Confident	21 Å²	21	59.8 Å²	59.8	8%	0.082	29%	0.293	C	S	.	.	S	Bend	trans	-131.4	86.8	-174.3	-50.6	-72.9	0	0	0	109.1	R568 I574 D577 F586 M628 R678	R568-Y581 PolarHBondContact NH1-OH 3.09Å; I574-Y581 HydrophobicContact CB-CD2 4.36Å; I574-Y581 HydrophobicContact CB-CE2 4.19Å; I574-Y581 HydrophobicContact CG1-CE2 3.94Å; I574-Y581 HydrophobicContact CG2-CD2 3.74Å; I574-Y581 HydrophobicContact CG2-CE2 3.86Å; I574-Y581 HydrophobicContact CG2-CG 4.11Å; D577-Y581 HydrophobicContact CB-CD2 4.18Å; D577-Y581 PolarHBondContact O-N 3.12Å; Y581-F586 AromaticContact CD1-CD1 3.63Å; Y581-F586 HydrophobicContact CD1-CD1 3.63Å; Y581-F586 HydrophobicContact CD1-CD2 4.17Å; Y581-F586 AromaticContact CD1-CE1 3.38Å; Y581-F586 HydrophobicContact CD1-CE1 3.38Å; Y581-F586 AromaticContact CD1-CE2 3.94Å; Y581-F586 HydrophobicContact CD1-CE2 3.94Å; Y581-F586 HydrophobicContact CD1-CG 4.03Å; Y581-F586 AromaticContact CD1-CZ 3.54Å; Y581-F586 HydrophobicContact CD1-CZ 3.54Å; Y581-F586 AromaticContact CE1-CE1 3.99Å; Y581-F586 HydrophobicContact CE1-CE1 3.99Å; Y581-F586 HydrophobicContact CE1-CE2 4.31Å; Y581-F586 AromaticContact CE1-CZ 3.81Å; Y581-F586 HydrophobicContact CE1-CZ 3.81Å; Y581-F586 HydrophobicContact CG-CD1 4.15Å; Y581-F586 HydrophobicContact CG-CE1 4.19Å; Y581-M628 HydrophobicContact CE1-CE 4.37Å; Y581-M628 HydrophobicContact CE1-SD 4.43Å; Y581-R678 VanDerWaalsContact O-CZ 3.24Å; Y581-R678 PolarHBondContact O-NH1 3.49Å; Y581-R678 PolarHBondContact O-NH2 3.09Å
582	P	70.4	Confident	72.9	Confident	48 Å²	48	60.8 Å²	60.8	31%	0.312	30%	0.297	S	S	.	.			trans	-69	152.3	-177.9	-19.9	33.6	0	0	0	112.7	T585 F586 M587	P582-T585 WeakPolarHBondContact CB-OG1 3.23Å; P582-T585 WeakPolarHBondContact CG-OG1 3.5Å; P582-F586 PolarHBondContact O-N 2.9Å; P582-M587 PolarHBondContact O-N 3.42Å; P582-M587 VanDerWaalsContact O-N 3.09Å
583	D	65.1	Low	72.9	Confident	64 Å²	64	59 Å²	59	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-35.4	179.8	-69.5	-50.1	0	0	0	112.6	R578 R678	R578-D583 IonicContact CZ-OD2 2.7Å; R578-D583 IonicContact NE-OD2 3.49Å; R578-D583 IonicContact NH1-OD2 3.88Å; R578-D583 PolarHBondContact NH1-OD2 3.37Å; D583-R678 WeakPolarHBondContact OD1-CD 3.23Å; D583-R678 IonicContact OD1-CZ 3.45Å; D583-R678 IonicContact OD1-NE 3.23Å; D583-R678 IonicContact OD1-NH1 3.61Å; D583-R678 PolarHBondContact OD1-NH1 2.95Å; D583-R678 IonicContact OD2-NH1 2.77Å
584	E	58.7	Low	73.1	Confident	190 Å²	190	53.8 Å²	53.8	89%	0.888	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.6	-175.7	-63.3	176.5	178.8	0	0	114.7
585	T	59.4	Low	73.4	Confident	96 Å²	96	53.9 Å²	53.9	59%	0.589	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-5.9	-169.5	65.6	0	0	0	0	115.1	P582	P582-T585 WeakPolarHBondContact CB-OG1 3.23Å; P582-T585 WeakPolarHBondContact CG-OG1 3.5Å
586	F	61.1	Low	73.8	Confident	54 Å²	54	53.8 Å²	53.8	24%	0.237	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-44.9	-176	-166.7	-79.7	0	0	0	113.7	Y581 P582 D588 F591 M628	Y581-F586 AromaticContact CD1-CD1 3.63Å; Y581-F586 HydrophobicContact CD1-CD1 3.63Å; Y581-F586 HydrophobicContact CD1-CD2 4.17Å; Y581-F586 AromaticContact CD1-CE1 3.38Å; Y581-F586 HydrophobicContact CD1-CE1 3.38Å; Y581-F586 AromaticContact CD1-CE2 3.94Å; Y581-F586 HydrophobicContact CD1-CE2 3.94Å; Y581-F586 HydrophobicContact CD1-CG 4.03Å; Y581-F586 AromaticContact CD1-CZ 3.54Å; Y581-F586 HydrophobicContact CD1-CZ 3.54Å; Y581-F586 AromaticContact CE1-CE1 3.99Å; Y581-F586 HydrophobicContact CE1-CE1 3.99Å; Y581-F586 HydrophobicContact CE1-CE2 4.31Å; Y581-F586 AromaticContact CE1-CZ 3.81Å; Y581-F586 HydrophobicContact CE1-CZ 3.81Å; Y581-F586 HydrophobicContact CG-CD1 4.15Å; Y581-F586 HydrophobicContact CG-CE1 4.19Å; P582-F586 PolarHBondContact O-N 2.9Å; F586-D588 PolarHBondContact O-N 2.98Å; F586-D588 VanDerWaalsContact O-N 3.16Å; F586-F591 HydrophobicContact CD1-CD1 4.36Å; F586-F591 HydrophobicContact CD1-CE1 4.36Å; F586-F591 HydrophobicContact CE1-CD1 4.16Å; F586-F591 AromaticContact CE1-CE1 3.79Å; F586-F591 HydrophobicContact CE1-CE1 3.79Å; F586-F591 HydrophobicContact CE1-CE2 4.48Å; F586-F591 AromaticContact CE1-CZ 4Å; F586-F591 HydrophobicContact CE1-CZ 4Å; F586-M628 HydrophobicContact CE1-CE 3.8Å; F586-M628 HydrophobicContact CZ-CE 3.66Å; F586-M628 HydrophobicContact CZ-CG 4.24Å; F586-M628 HydrophobicContact CZ-SD 4Å
587	M	71.8	Confident	74.2	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.02	26%	0.263	C	S	.	.	S	Bend	trans	-88.7	44.8	179.4	-66.7	-62.5	-53.9	0	0	112.4	L575 P582 F591 K592	L575-M587 HydrophobicContact CD2-CE 3.76Å; P582-M587 PolarHBondContact O-N 3.42Å; P582-M587 VanDerWaalsContact O-N 3.09Å; M587-F591 HydrophobicContact CE-CD1 4.16Å; M587-F591 HydrophobicContact CE-CE1 4.26Å; M587-F591 HydrophobicContact SD-CD1 3.72Å; M587-F591 HydrophobicContact SD-CE1 3.68Å; M587-K592 HydrophobicContact CE-CG 4Å; M587-K592 WeakPolarHBondContact O-CE 3.46Å
588	D	76.3	Confident	74.9	Confident	54 Å²	54	52.6 Å²	52.6	29%	0.289	26%	0.263	S	S	.	.			trans	-67	168.6	173.9	65.5	45.7	0	0	0	112.1	F586 E590 F591 K592	F586-D588 PolarHBondContact O-N 2.98Å; F586-D588 VanDerWaalsContact O-N 3.16Å; D588-E590 VanDerWaalsContact C-N 3.3Å; D588-E590 PolarHBondContact O-N 3.4Å; D588-E590 WeakPolarHBondContact OD1-CB 3.45Å; D588-E590 PolarHBondContact OD1-N 2.99Å; D588-E590 VanDerWaalsContact OD1-N 3.14Å; D588-F591 PolarHBondContact O-N 3.25Å; D588-F591 WeakPolarHBondContact OD1-CB 3.2Å; D588-F591 PolarHBondContact OD1-N 3Å; D588-K592 WeakPolarHBondContact O-CB 3.49Å; D588-K592 VanDerWaalsContact O-CG 3.31Å; D588-K592 WeakPolarHBondContact O-CG 3.36Å; D588-K592 PolarHBondContact O-N 2.85Å
589	M	78.1	Confident	76	Confident	41 Å²	41	47.3 Å²	47.3	20%	0.202	24%	0.243	C	C	.	.	H	α-helix	trans	-69.4	-26.6	-175.7	-68.7	-59.4	-73.1	0	0	112.9	K592 I593 E719 L722	M589-K592 HydrophobicContact SD-CD 3.58Å; M589-K592 VanDerWaalsContact SD-CD 3.58Å; M589-I593 WeakPolarHBondContact O-CB 3.46Å; M589-I593 WeakPolarHBondContact O-CD1 3.46Å; M589-I593 WeakPolarHBondContact O-CG1 3.32Å; M589-I593 PolarHBondContact O-N 3.43Å; M589-E719 HydrophobicContact CE-CG 4.17Å; M589-L722 HydrophobicContact CE-CD2 3.78Å
590	E	77.2	Confident	77.4	Confident	59 Å²	59	40.2 Å²	40.2	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-69.1	-46.2	174.8	-58.1	-169.3	172	0	0	110.7	D588 I593 S594 F751 H755 N765	D588-E590 VanDerWaalsContact C-N 3.3Å; D588-E590 PolarHBondContact O-N 3.4Å; D588-E590 WeakPolarHBondContact OD1-CB 3.45Å; D588-E590 PolarHBondContact OD1-N 2.99Å; D588-E590 VanDerWaalsContact OD1-N 3.14Å; E590-I593 PolarHBondContact O-N 2.98Å; E590-S594 WeakPolarHBondContact O-CB 3.39Å; E590-S594 PolarHBondContact O-N 2.87Å; E590-F751 HydrophobicContact CB-CE2 4.26Å; E590-H755 IonicContact OE1-CE1 2.7Å; E590-H755 PolarHBondContact OE1-CE1 3.41Å; E590-H755 IonicContact OE1-ND1 2.82Å; E590-H755 PolarHBondContact OE1-ND1 3.49Å; E590-H755 IonicContact OE2-CE1 2.68Å; E590-H755 PolarHBondContact OE2-CE1 2.91Å; E590-N765 PolarHBondContact OE2-ND2 3.41Å
591	F	78.9	Confident	78.9	Confident	24 Å²	24	41.2 Å²	41.2	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-47.2	175.7	-176.9	-105.9	0	0	0	111.1	F586 M587 D588 I593 S594 V595 M628	F586-F591 HydrophobicContact CD1-CD1 4.36Å; F586-F591 HydrophobicContact CD1-CE1 4.36Å; F586-F591 HydrophobicContact CE1-CD1 4.16Å; F586-F591 AromaticContact CE1-CE1 3.79Å; F586-F591 HydrophobicContact CE1-CE1 3.79Å; F586-F591 HydrophobicContact CE1-CE2 4.48Å; F586-F591 AromaticContact CE1-CZ 4Å; F586-F591 HydrophobicContact CE1-CZ 4Å; M587-F591 HydrophobicContact CE-CD1 4.16Å; M587-F591 HydrophobicContact CE-CE1 4.26Å; M587-F591 HydrophobicContact SD-CD1 3.72Å; M587-F591 HydrophobicContact SD-CE1 3.68Å; D588-F591 PolarHBondContact O-N 3.25Å; D588-F591 WeakPolarHBondContact OD1-CB 3.2Å; D588-F591 PolarHBondContact OD1-N 3Å; F591-I593 PolarHBondContact O-N 3.47Å; F591-S594 PolarHBondContact O-N 3.4Å; F591-S594 VanDerWaalsContact O-N 3.12Å; F591-S594 PolarHBondContact O-OG 2.67Å; F591-V595 HydrophobicContact CD1-CG2 4.22Å; F591-V595 HydrophobicContact CE1-CG2 3.6Å; F591-V595 HydrophobicContact CE2-CG2 3.93Å; F591-V595 HydrophobicContact CZ-CG2 3.41Å; F591-V595 VanDerWaalsContact CZ-CG2 3.41Å; F591-V595 WeakPolarHBondContact O-CG2 3.48Å; F591-V595 PolarHBondContact O-N 2.75Å; F591-M628 HydrophobicContact CE1-CE 4.3Å; F591-M628 HydrophobicContact CE2-CB 4.03Å; F591-M628 HydrophobicContact CE2-CE 4.11Å; F591-M628 HydrophobicContact CZ-CB 4.42Å; F591-M628 HydrophobicContact CZ-CE 3.47Å; F591-M628 VanDerWaalsContact CZ-CE 3.47Å
592	K	85.5	Confident	80	Confident	25 Å²	25	40.2 Å²	40.2	11%	0.109	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-46.6	174.7	-75.1	171.1	174.3	178.2	0	112.4	M587 D588 M589 V595 M596 I675 V676	M587-K592 HydrophobicContact CE-CG 4Å; M587-K592 WeakPolarHBondContact O-CE 3.46Å; D588-K592 WeakPolarHBondContact O-CB 3.49Å; D588-K592 VanDerWaalsContact O-CG 3.31Å; D588-K592 WeakPolarHBondContact O-CG 3.36Å; D588-K592 PolarHBondContact O-N 2.85Å; M589-K592 HydrophobicContact SD-CD 3.58Å; M589-K592 VanDerWaalsContact SD-CD 3.58Å; K592-V595 PolarHBondContact O-N 2.75Å; K592-M596 WeakPolarHBondContact O-CG 3.38Å; K592-M596 PolarHBondContact O-N 2.88Å; K592-I675 HydrophobicContact CB-CG2 3.76Å; K592-I675 VanDerWaalsContact CE-O 3.29Å; K592-I675 WeakPolarHBondContact CE-O 3.18Å; K592-I675 HydrophobicContact CG-CG2 3.78Å; K592-V676 PolarHBondContact NZ-O 3.37Å
593	I	85.3	Confident	81.1	Confident	3 Å²	3	38 Å²	38	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-38	177.4	-70.2	164.4	0	0	0	111	M589 E590 F591 M596 Y597 L722 L747 I750 F751 L754	M589-I593 WeakPolarHBondContact O-CB 3.46Å; M589-I593 WeakPolarHBondContact O-CD1 3.46Å; M589-I593 WeakPolarHBondContact O-CG1 3.32Å; M589-I593 PolarHBondContact O-N 3.43Å; E590-I593 PolarHBondContact O-N 2.98Å; F591-I593 PolarHBondContact O-N 3.47Å; I593-M596 PolarHBondContact O-N 2.83Å; I593-Y597 WeakPolarHBondContact O-CB 3.23Å; I593-Y597 PolarHBondContact O-N 2.95Å; I593-L722 HydrophobicContact CD1-CD2 4.22Å; I593-L722 HydrophobicContact CG1-CD1 4.33Å; I593-L722 HydrophobicContact CG1-CD2 3.95Å; I593-L747 HydrophobicContact CG2-CD2 4.49Å; I593-I750 HydrophobicContact CD1-CG2 3.91Å; I593-F751 HydrophobicContact CB-CD2 4.43Å; I593-F751 HydrophobicContact CG2-CB 4.13Å; I593-F751 HydrophobicContact CG2-CD2 3.89Å; I593-F751 HydrophobicContact CG2-CG 4.48Å; I593-L754 HydrophobicContact CD1-CD1 3.42Å; I593-L754 VanDerWaalsContact CD1-CD1 3.42Å
594	S	84.5	Confident	82.4	Confident	23 Å²	23	36 Å²	36	16%	0.161	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-40.8	176.7	79	0	0	0	0	112.8	E590 F591 Y597 D598	E590-S594 WeakPolarHBondContact O-CB 3.39Å; E590-S594 PolarHBondContact O-N 2.87Å; F591-S594 PolarHBondContact O-N 3.4Å; F591-S594 VanDerWaalsContact O-N 3.12Å; F591-S594 PolarHBondContact O-OG 2.67Å; S594-Y597 PolarHBondContact O-N 2.8Å; S594-D598 PolarHBondContact O-N 3.3Å
595	V	88.1	Confident	83.9	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-44.2	173.2	167.2	0	0	0	0	110.8	L571 F591 K592 Y597 I599 V630 I675	L571-V595 HydrophobicContact CD1-CG1 3.82Å; L571-V595 HydrophobicContact CD2-CG1 3.79Å; L571-V595 HydrophobicContact CG-CG1 4.49Å; F591-V595 HydrophobicContact CD1-CG2 4.22Å; F591-V595 HydrophobicContact CE1-CG2 3.6Å; F591-V595 HydrophobicContact CE2-CG2 3.93Å; F591-V595 HydrophobicContact CZ-CG2 3.41Å; F591-V595 VanDerWaalsContact CZ-CG2 3.41Å; F591-V595 WeakPolarHBondContact O-CG2 3.48Å; F591-V595 PolarHBondContact O-N 2.75Å; K592-V595 PolarHBondContact O-N 2.75Å; V595-Y597 VanDerWaalsContact C-N 3.33Å; V595-Y597 PolarHBondContact O-N 2.86Å; V595-I599 HydrophobicContact CG1-CD1 4.35Å; V595-I599 WeakPolarHBondContact O-CD1 3.32Å; V595-I599 WeakPolarHBondContact O-CG1 3.48Å; V595-I599 PolarHBondContact O-N 3.22Å; V595-V630 HydrophobicContact CB-CG2 4.19Å; V595-V630 HydrophobicContact CG1-CG2 3.85Å; V595-V630 HydrophobicContact CG2-CG2 4.17Å; V595-I675 HydrophobicContact CG1-CD1 3.75Å; V595-I675 HydrophobicContact CG1-CG1 4.23Å
596	M	90.9	Very high	85.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-37	175.2	-76.5	179.4	56.4	0	0	112.6	K592 I593 A600 Y668 A672 I675 V676 L722 I726 L747	K592-M596 WeakPolarHBondContact O-CG 3.38Å; K592-M596 PolarHBondContact O-N 2.88Å; I593-M596 PolarHBondContact O-N 2.83Å; M596-A600 WeakPolarHBondContact O-CB 3.39Å; M596-A600 PolarHBondContact O-N 2.96Å; M596-Y668 WeakPolarHBondContact CB-OH 3.45Å; M596-Y668 PolarHBondContact O-OH 2.89Å; M596-A672 HydrophobicContact CE-CB 3.53Å; M596-A672 HydrophobicContact CG-CB 4.47Å; M596-A672 HydrophobicContact SD-CB 3.98Å; M596-I675 HydrophobicContact CG-CB 4.48Å; M596-I675 HydrophobicContact CG-CD1 3.64Å; M596-I675 HydrophobicContact CG-CG2 4.22Å; M596-I675 HydrophobicContact SD-CG2 4.46Å; M596-V676 HydrophobicContact SD-CG2 4.2Å; M596-L722 HydrophobicContact CE-CD1 3.7Å; M596-L722 HydrophobicContact SD-CD1 4.33Å; M596-I726 HydrophobicContact CE-CD1 4.25Å; M596-I726 HydrophobicContact CE-CG1 4.2Å; M596-L747 HydrophobicContact CB-CD1 4.24Å; M596-L747 HydrophobicContact CE-CD2 4.03Å
597	Y	89.3	Confident	86.9	Confident	71 Å²	71	24.7 Å²	24.7	28%	0.278	12%	0.117	S	C	.	.	H	α-helix	trans	-69.2	-46.1	179	-174.3	-84.6	0	0	0	112.1	I593 S594 V595 I599 A600 K601 E744 L747	I593-Y597 WeakPolarHBondContact O-CB 3.23Å; I593-Y597 PolarHBondContact O-N 2.95Å; S594-Y597 PolarHBondContact O-N 2.8Å; V595-Y597 VanDerWaalsContact C-N 3.33Å; V595-Y597 PolarHBondContact O-N 2.86Å; Y597-I599 VanDerWaalsContact C-N 3.3Å; Y597-I599 PolarHBondContact O-N 2.79Å; Y597-A600 PolarHBondContact O-N 3.07Å; Y597-K601 HydrophobicContact CE1-CB 4.44Å; Y597-K601 HydrophobicContact CE1-CD 3.93Å; Y597-K601 VanDerWaalsContact O-CB 3.31Å; Y597-K601 WeakPolarHBondContact O-CB 3.47Å; Y597-K601 PolarHBondContact O-N 3.01Å; Y597-E744 HydrophobicContact CD2-CG 4.43Å; Y597-E744 HydrophobicContact CE1-CG 4.5Å; Y597-E744 HydrophobicContact CE2-CG 3.63Å; Y597-E744 WeakPolarHBondContact CE2-O 3.22Å; Y597-E744 WeakPolarHBondContact OH-CG 3.32Å; Y597-E744 PolarHBondContact OH-OE1 3.14Å; Y597-L747 HydrophobicContact CD2-CB 3.97Å
598	D	88.9	Confident	87.7	Confident	23 Å²	23	29 Å²	29	12%	0.123	15%	0.147	C	C	.	.	H	α-helix	trans	-55.5	-44.9	176.1	-91.4	-21.7	0	0	0	111.9	N545 S594 G602 V629 V630	N545-D598 WeakPolarHBondContact ND2-CB 3.48Å; N545-D598 PolarHBondContact ND2-OD1 3.22Å; S594-D598 PolarHBondContact O-N 3.3Å; D598-G602 PolarHBondContact O-N 2.82Å; D598-V629 WeakPolarHBondContact OD2-CA 3.25Å; D598-V629 WeakPolarHBondContact OD2-CG1 3.41Å; D598-V630 HydrophobicContact CB-CB 3.82Å; D598-V630 HydrophobicContact CB-CG2 4.16Å; D598-V630 PolarHBondContact OD2-N 2.77Å
599	I	93.9	Very high	88.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-45.5	177.5	-60.7	164.2	0	0	0	110.7	L571 V595 Y597 K601 G602 M603 C622 V630 I632 Y668 I671 I675	L571-I599 HydrophobicContact CD2-CD1 3.86Å; V595-I599 HydrophobicContact CG1-CD1 4.35Å; V595-I599 WeakPolarHBondContact O-CD1 3.32Å; V595-I599 WeakPolarHBondContact O-CG1 3.48Å; V595-I599 PolarHBondContact O-N 3.22Å; Y597-I599 VanDerWaalsContact C-N 3.3Å; Y597-I599 PolarHBondContact O-N 2.79Å; I599-K601 VanDerWaalsContact C-N 3.31Å; I599-K601 PolarHBondContact O-N 3.16Å; I599-G602 PolarHBondContact O-N 2.91Å; I599-M603 HydrophobicContact CG2-CG 4.48Å; I599-M603 WeakPolarHBondContact O-CB 3.48Å; I599-M603 WeakPolarHBondContact O-CG 3.48Å; I599-M603 PolarHBondContact O-N 2.93Å; I599-C622 HydrophobicContact CD1-CB 4.28Å; I599-V630 HydrophobicContact CD1-CG1 4.17Å; I599-V630 HydrophobicContact CG1-CB 4.13Å; I599-V630 HydrophobicContact CG1-CG1 3.65Å; I599-I632 HydrophobicContact CG2-CD1 4.14Å; I599-Y668 HydrophobicContact CB-CD2 4.4Å; I599-Y668 HydrophobicContact CB-CE2 3.98Å; I599-Y668 HydrophobicContact CG2-CD2 3.68Å; I599-Y668 HydrophobicContact CG2-CE2 3.77Å; I599-I671 HydrophobicContact CD1-CG2 4.15Å; I599-I675 HydrophobicContact CD1-CD1 4.22Å
600	A	93.6	Very high	88.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-40.6	179.3	0	0	0	0	0	112.1	M596 Y597 S604 Y668 F740 I743 L747	M596-A600 WeakPolarHBondContact O-CB 3.39Å; M596-A600 PolarHBondContact O-N 2.96Å; Y597-A600 PolarHBondContact O-N 3.07Å; A600-S604 WeakPolarHBondContact O-CB 3.39Å; A600-S604 PolarHBondContact O-N 2.88Å; A600-Y668 HydrophobicContact CB-CE2 4.13Å; A600-F740 HydrophobicContact CB-CD1 4.32Å; A600-I743 HydrophobicContact CB-CG2 3.79Å; A600-L747 HydrophobicContact CB-CD1 4.17Å
601	K	91.3	Very high	88.5	Confident	63 Å²	63	27.5 Å²	27.5	27%	0.274	15%	0.151	S	C	.	.	H	α-helix	trans	-67.6	-44.4	176.7	-176.8	178.3	176.3	-170.7	0	112.5	Y543 Y597 I599 M603 S604 Y605	Y543-K601 VanDerWaalsContact OH-CE 3.31Å; Y543-K601 WeakPolarHBondContact OH-CE 3.47Å; Y597-K601 HydrophobicContact CE1-CB 4.44Å; Y597-K601 HydrophobicContact CE1-CD 3.93Å; Y597-K601 VanDerWaalsContact O-CB 3.31Å; Y597-K601 WeakPolarHBondContact O-CB 3.47Å; Y597-K601 PolarHBondContact O-N 3.01Å; I599-K601 VanDerWaalsContact C-N 3.31Å; I599-K601 PolarHBondContact O-N 3.16Å; K601-M603 PolarHBondContact O-N 3.16Å; K601-S604 PolarHBondContact O-N 3.03Å; K601-Y605 PolarHBondContact O-N 3.5Å
602	G	91	Very high	88.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-43.9	173.6	0	0	0	0	0	112.6	D598 I599 Y605 L606	D598-G602 PolarHBondContact O-N 2.82Å; I599-G602 PolarHBondContact O-N 2.91Å; G602-Y605 PolarHBondContact O-N 3.1Å; G602-L606 WeakPolarHBondContact O-CB 3.45Å; G602-L606 PolarHBondContact O-N 2.83Å
603	M	93.7	Very high	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-39.8	175.1	-73.7	-55.5	-52	0	0	113.1	I599 K601 Y605 L606 H607 H614 L617 I632 D664 F740	I599-M603 HydrophobicContact CG2-CG 4.48Å; I599-M603 WeakPolarHBondContact O-CB 3.48Å; I599-M603 WeakPolarHBondContact O-CG 3.48Å; I599-M603 PolarHBondContact O-N 2.93Å; K601-M603 PolarHBondContact O-N 3.16Å; M603-Y605 VanDerWaalsContact C-N 3.28Å; M603-Y605 PolarHBondContact O-N 2.81Å; M603-L606 HydrophobicContact CE-CD2 4.14Å; M603-L606 PolarHBondContact O-N 2.66Å; M603-L606 HydrophobicContact SD-CD2 4.05Å; M603-H607 VanDerWaalsContact CE-NE2 3.3Å; M603-H607 WeakPolarHBondContact CE-NE2 3.29Å; M603-H607 WeakPolarHBondContact O-CB 3.42Å; M603-H607 PolarHBondContact O-N 3.04Å; M603-H614 HydrophobicContact CE-CB 3.88Å; M603-H614 HydrophobicContact SD-CB 4.16Å; M603-L617 HydrophobicContact CE-CD2 4.5Å; M603-L617 HydrophobicContact CG-CD2 3.94Å; M603-L617 HydrophobicContact SD-CD1 4.05Å; M603-L617 HydrophobicContact SD-CD2 3.95Å; M603-L617 HydrophobicContact SD-CG 4.49Å; M603-I632 HydrophobicContact CB-CD1 4.48Å; M603-I632 HydrophobicContact CG-CD1 3.57Å; M603-I632 HydrophobicContact SD-CD1 3.67Å; M603-D664 HydrophobicContact CE-CB 3.73Å; M603-F740 HydrophobicContact CB-CB 4.41Å; M603-F740 HydrophobicContact CB-CD1 3.51Å; M603-F740 HydrophobicContact CB-CD2 3.77Å; M603-F740 HydrophobicContact CB-CE1 3.52Å; M603-F740 HydrophobicContact CB-CE2 3.78Å; M603-F740 HydrophobicContact CB-CG 3.63Å; M603-F740 HydrophobicContact CB-CZ 3.65Å; M603-F740 HydrophobicContact CE-CE2 3.91Å; M603-F740 HydrophobicContact CE-CZ 4.21Å; M603-F740 HydrophobicContact CG-CD1 4.29Å; M603-F740 HydrophobicContact CG-CE1 3.78Å; M603-F740 HydrophobicContact CG-CE2 4.17Å; M603-F740 HydrophobicContact CG-CZ 3.71Å
604	S	92.9	Very high	89	Confident	23 Å²	23	29.3 Å²	29.3	16%	0.161	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-35.5	175.9	-172.3	0	0	0	0	112.1	A600 K601 S608	A600-S604 WeakPolarHBondContact O-CB 3.39Å; A600-S604 PolarHBondContact O-N 2.88Å; K601-S604 PolarHBondContact O-N 3.03Å; S604-S608 PolarHBondContact O-OG 2.99Å
605	Y	91.3	Very high	88.9	Confident	73 Å²	73	29 Å²	29	29%	0.286	17%	0.168	S	C	.	.	H	α-helix	trans	-68.7	-48.7	171.5	175.4	-93.4	0	0	0	111	I541 Y543 L546 K601 G602 M603 H607 S608 S609	I541-Y605 HydrophobicContact CG2-CE1 4.44Å; Y543-Y605 AromaticContact CD1-CD1 3.95Å; Y543-Y605 HydrophobicContact CD1-CD1 3.95Å; Y543-Y605 AromaticContact CD1-CG 3.91Å; Y543-Y605 HydrophobicContact CD1-CG 3.91Å; Y543-Y605 AromaticContact CD2-CD1 3.92Å; Y543-Y605 HydrophobicContact CD2-CD1 3.92Å; Y543-Y605 AromaticContact CD2-CD2 3.45Å; Y543-Y605 HydrophobicContact CD2-CD2 3.45Å; Y543-Y605 VanDerWaalsContact CD2-CD2 3.45Å; Y543-Y605 HydrophobicContact CD2-CE1 4.08Å; Y543-Y605 AromaticContact CD2-CE2 3.62Å; Y543-Y605 HydrophobicContact CD2-CE2 3.62Å; Y543-Y605 AromaticContact CD2-CG 3.6Å; Y543-Y605 HydrophobicContact CD2-CG 3.6Å; Y543-Y605 AromaticContact CD2-CZ 3.94Å; Y543-Y605 HydrophobicContact CE1-CG 4.13Å; Y543-Y605 AromaticContact CE2-CD2 3.56Å; Y543-Y605 HydrophobicContact CE2-CD2 3.56Å; Y543-Y605 HydrophobicContact CE2-CE2 4.09Å; Y543-Y605 AromaticContact CE2-CG 3.82Å; Y543-Y605 HydrophobicContact CE2-CG 3.82Å; Y543-Y605 AromaticContact CG-CD1 3.57Å; Y543-Y605 HydrophobicContact CG-CD1 3.57Å; Y543-Y605 AromaticContact CG-CD2 4Å; Y543-Y605 HydrophobicContact CG-CD2 4Å; Y543-Y605 AromaticContact CG-CE1 3.87Å; Y543-Y605 HydrophobicContact CG-CE1 3.87Å; Y543-Y605 HydrophobicContact CG-CE2 4.25Å; Y543-Y605 AromaticContact CG-CG 3.64Å; Y543-Y605 HydrophobicContact CG-CG 3.64Å; L546-Y605 HydrophobicContact CD1-CD1 3.76Å; L546-Y605 HydrophobicContact CD1-CE1 4.01Å; K601-Y605 PolarHBondContact O-N 3.5Å; G602-Y605 PolarHBondContact O-N 3.1Å; M603-Y605 VanDerWaalsContact C-N 3.28Å; M603-Y605 PolarHBondContact O-N 2.81Å; Y605-H607 PolarHBondContact O-N 2.85Å; Y605-S608 CarbonylContact O-C 3.49Å; Y605-S608 WeakPolarHBondContact O-CA 3.43Å; Y605-S608 PolarHBondContact O-N 3.11Å; Y605-S608 PolarHBondContact O-OG 3.06Å; Y605-S609 PolarHBondContact O-N 3.04Å; Y605-S609 VanDerWaalsContact O-N 3.16Å
606	L	90.8	Very high	88.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-45.9	-179.2	-174.9	65.2	0	0	0	112.1	L546 G602 M603 S608 S609 I611 H614 F635	L546-L606 HydrophobicContact CD1-CD1 4.31Å; G602-L606 WeakPolarHBondContact O-CB 3.45Å; G602-L606 PolarHBondContact O-N 2.83Å; M603-L606 HydrophobicContact CE-CD2 4.14Å; M603-L606 PolarHBondContact O-N 2.66Å; M603-L606 HydrophobicContact SD-CD2 4.05Å; L606-S608 PolarHBondContact O-N 2.94Å; L606-S609 VanDerWaalsContact O-CB 3.28Å; L606-S609 WeakPolarHBondContact O-CB 3.33Å; L606-S609 PolarHBondContact O-N 3.37Å; L606-S609 PolarHBondContact O-OG 2.91Å; L606-I611 HydrophobicContact CD1-CB 4.07Å; L606-I611 HydrophobicContact CD1-CG2 4.19Å; L606-I611 WeakPolarHBondContact CD1-O 3.19Å; L606-I611 WeakPolarHBondContact CG-O 3.32Å; L606-H614 HydrophobicContact CD2-CB 3.82Å; L606-F635 HydrophobicContact CD1-CB 4.37Å; L606-F635 HydrophobicContact CD1-CD2 3.71Å; L606-F635 HydrophobicContact CD1-CE2 4.29Å; L606-F635 HydrophobicContact CD1-CG 4.17Å; L606-F635 HydrophobicContact CD2-CB 3.85Å; L606-F635 HydrophobicContact CD2-CG 4.28Å
607	H	91.5	Very high	88.7	Confident	30 Å²	30	30 Å²	30	14%	0.139	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-20.6	176.7	-76.7	-168.1	0	0	0	114.4	M603 Y605 P612 Q661 D664 F740	M603-H607 VanDerWaalsContact CE-NE2 3.3Å; M603-H607 WeakPolarHBondContact CE-NE2 3.29Å; M603-H607 WeakPolarHBondContact O-CB 3.42Å; M603-H607 PolarHBondContact O-N 3.04Å; Y605-H607 PolarHBondContact O-N 2.85Å; H607-P612 PolarHBondContact CD2-O 3.05Å; H607-Q661 VanDerWaalsContact CE1-CA 3.46Å; H607-Q661 WeakPolarHBondContact CE1-CA 3.28Å; H607-Q661 VanDerWaalsContact CE1-CB 3.45Å; H607-Q661 WeakPolarHBondContact CE1-CB 3.5Å; H607-Q661 PolarHBondContact CE1-O 2.83Å; H607-Q661 PolarHBondContact O-NE2 3.29Å; H607-D664 IonicContact CD2-OD2 2.66Å; H607-D664 IonicContact CE1-OD2 3.31Å; H607-D664 IonicContact NE2-OD2 2.66Å; H607-D664 PolarHBondContact NE2-OD2 2.9Å; H607-F740 AromaticContact CE1-CD2 3.44Å; H607-F740 VanDerWaalsContact CE1-CD2 3.44Å; H607-F740 WeakPolarHBondContact CE1-CD2 3.29Å; H607-F740 AromaticContact CE1-CE2 3.47Å; H607-F740 VanDerWaalsContact CE1-CE2 3.47Å; H607-F740 WeakPolarHBondContact CE1-CE2 3.47Å; H607-F740 AromaticContact ND1-CD2 3.48Å; H607-F740 WeakPolarHBondContact ND1-CD2 3.36Å
608	S	88.1	Confident	88.8	Confident	93 Å²	93	28.3 Å²	28.3	65%	0.65	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.9	172	72.6	0	0	0	0	114.1	S604 Y605 L606	S604-S608 PolarHBondContact O-OG 2.99Å; Y605-S608 CarbonylContact O-C 3.49Å; Y605-S608 WeakPolarHBondContact O-CA 3.43Å; Y605-S608 PolarHBondContact O-N 3.11Å; Y605-S608 PolarHBondContact O-OG 3.06Å; L606-S608 PolarHBondContact O-N 2.94Å
609	S	87.3	Confident	88.7	Confident	23 Å²	23	27.2 Å²	27.2	16%	0.161	16%	0.159	C	C	.	.	S	Bend	trans	-91.8	177.9	-175.6	83.1	0	0	0	0	113	Y605 L606 I611	Y605-S609 PolarHBondContact O-N 3.04Å; Y605-S609 VanDerWaalsContact O-N 3.16Å; L606-S609 VanDerWaalsContact O-CB 3.28Å; L606-S609 WeakPolarHBondContact O-CB 3.33Å; L606-S609 PolarHBondContact O-N 3.37Å; L606-S609 PolarHBondContact O-OG 2.91Å; S609-I611 PolarHBondContact O-N 3.48Å; S609-I611 VanDerWaalsContact O-N 3.12Å; S609-I611 PolarHBondContact OG-N 2.89Å; S609-I611 PolarHBondContact OG-O 2.98Å
610	S	79.3	Confident	88.4	Confident	88 Å²	88	27.8 Å²	27.8	62%	0.615	16%	0.163	S	C	*	.	S	Bend	trans	-64.2	-6.5	169.9	47.1	0	0	0	0	114.5	T537 P612	T537-S610 VanDerWaalsContact CG2-OG 3.23Å; T537-S610 WeakPolarHBondContact CG2-OG 3.02Å; S610-P612 WeakPolarHBondContact O-CD 3.46Å
611	I	83.1	Confident	88.2	Confident	13 Å²	13	28.7 Å²	28.7	7%	0.067	17%	0.168	C	C	.	.	S	Bend	trans	-117.7	80.6	172.6	-55.8	-171.1	0	0	0	107.7	T537 L538 I541 L606 S609 V613 G636	T537-I611 HydrophobicContact CG2-CD1 3.87Å; T537-I611 HydrophobicContact CG2-CG1 3.59Å; L538-I611 HydrophobicContact CD2-CD1 3.64Å; L538-I611 HydrophobicContact CG-CD1 3.9Å; I541-I611 HydrophobicContact CD1-CB 4.27Å; I541-I611 HydrophobicContact CD1-CD1 3.55Å; I541-I611 HydrophobicContact CD1-CG1 3.84Å; L606-I611 HydrophobicContact CD1-CB 4.07Å; L606-I611 HydrophobicContact CD1-CG2 4.19Å; L606-I611 WeakPolarHBondContact CD1-O 3.19Å; L606-I611 WeakPolarHBondContact CG-O 3.32Å; S609-I611 PolarHBondContact O-N 3.48Å; S609-I611 VanDerWaalsContact O-N 3.12Å; S609-I611 PolarHBondContact OG-N 2.89Å; S609-I611 PolarHBondContact OG-O 2.98Å; I611-V613 PolarHBondContact O-N 3.38Å; I611-V613 VanDerWaalsContact O-N 3.1Å; I611-G636 VanDerWaalsContact CG2-CA 3.41Å
612	P	82.3	Confident	88.2	Confident	67 Å²	67	25.7 Å²	25.7	44%	0.435	16%	0.155	S	C	.	.			trans	-73.4	-5.5	-163.9	28.9	-37.1	0	0	0	114.7	H607 S610 Q661	H607-P612 PolarHBondContact CD2-O 3.05Å; S610-P612 WeakPolarHBondContact O-CD 3.46Å; P612-Q661 WeakPolarHBondContact O-CG 3.15Å; P612-Q661 PolarHBondContact O-NE2 2.82Å
613	V	88.2	Confident	88.1	Confident	22 Å²	22	25.7 Å²	25.7	13%	0.133	16%	0.155	C	C	.	.			trans	-143.1	137.1	-175.8	177.9	0	0	0	0	109.4	I611 H638 V659 Q661	I611-V613 PolarHBondContact O-N 3.38Å; I611-V613 VanDerWaalsContact O-N 3.1Å; V613-H638 PolarHBondContact O-CE1 2.96Å; V613-V659 HydrophobicContact CG1-CB 3.86Å; V613-V659 HydrophobicContact CG1-CG2 3.93Å; V613-Q661 HydrophobicContact CG2-CG 3.88Å
614	H	88.1	Confident	87.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.			trans	-83.7	-44.1	172	-172.4	-19.5	0	0	0	111.3	M603 L606 R616 I632 T633 H638 D664	M603-H614 HydrophobicContact CE-CB 3.88Å; M603-H614 HydrophobicContact SD-CB 4.16Å; L606-H614 HydrophobicContact CD2-CB 3.82Å; H614-R616 PolarHBondContact O-N 3.28Å; H614-I632 VanDerWaalsContact NE2-CG2 3.35Å; H614-I632 WeakPolarHBondContact NE2-CG2 3.47Å; H614-T633 PolarHBondContact CE1-O 3.24Å; H614-T633 PolarHBondContact NE2-O 2.95Å; H614-H638 PolarHBondContact O-NE2 2.84Å; H614-D664 PolarHBondContact N-OD2 3.09Å
615	G	83.3	Confident	87	Confident	18 Å²	18	25.9 Å²	25.9	19%	0.186	15%	0.154	C	C	.	.	S	Bend	trans	72.1	-8.6	174.9	0	0	0	0	0	115.7	D664	G615-D664 WeakPolarHBondContact CA-OD1 3.41Å; G615-D664 PolarHBondContact N-OD1 3.46Å
616	R	84.6	Confident	86	Confident	22 Å²	22	26.3 Å²	26.3	8%	0.083	16%	0.162	C	C	.	.			trans	-149.7	32.6	-172.6	-54.4	-175.3	-53.9	157.4	8.9	111.6	H614 K618 N621 D634 L641	H614-R616 PolarHBondContact O-N 3.28Å; R616-K618 PolarHBondContact O-N 3.08Å; R616-N621 PolarHBondContact O-ND2 3.31Å; R616-D634 PolarHBondContact NH2-O 3.21Å; R616-L641 PolarHBondContact NH1-O 3.34Å
617	L	90.3	Very high	85	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.193	C	C	.	.			trans	-65.5	124	178.2	-178.8	65.1	0	0	0	109.3	M603 I632 S667 I671 F740	M603-L617 HydrophobicContact CE-CD2 4.5Å; M603-L617 HydrophobicContact CG-CD2 3.94Å; M603-L617 HydrophobicContact SD-CD1 4.05Å; M603-L617 HydrophobicContact SD-CD2 3.95Å; M603-L617 HydrophobicContact SD-CG 4.49Å; L617-I632 HydrophobicContact CD1-CD1 4.44Å; L617-I632 HydrophobicContact CD1-CG2 3.96Å; L617-S667 WeakPolarHBondContact O-CB 3.42Å; L617-I671 HydrophobicContact CD1-CD1 4.21Å; L617-I671 HydrophobicContact CD2-CD1 4.27Å; L617-I671 HydrophobicContact CG-CD1 3.7Å; L617-F740 HydrophobicContact CD2-CZ 4.34Å
618	K	90.6	Very high	84.2	Confident	35 Å²	35	34 Å²	34	15%	0.152	19%	0.19	C	C	.	.			trans	-143.5	160.5	179.7	-62.6	-170	-171.1	-174.6	0	110.2	R616 T620 N621 C622 D646 W648 I671	R616-K618 PolarHBondContact O-N 3.08Å; K618-T620 PolarHBondContact O-N 3.44Å; K618-N621 HydrophobicContact CB-CB 4.43Å; K618-N621 CarbonylContact O-C 3.59Å; K618-N621 PolarHBondContact O-N 3.43Å; K618-C622 PolarHBondContact O-N 3.23Å; K618-C622 VanDerWaalsContact O-N 3.08Å; K618-C622 PolarHBondContact O-SG 3.39Å; K618-D646 VanDerWaalsContact CE-OD2 3.28Å; K618-D646 WeakPolarHBondContact CE-OD2 3.32Å; K618-D646 IonicContact NZ-OD2 3.37Å; K618-D646 PolarHBondContact NZ-OD2 3.14Å; K618-W648 HydrophobicContact CB-CD2 4.16Å; K618-W648 HydrophobicContact CB-CG 4.44Å; K618-W648 HydrophobicContact CD-CD2 4.18Å; K618-W648 HydrophobicContact CD-CE3 3.72Å; K618-W648 HydrophobicContact CD-CH2 4.48Å; K618-W648 HydrophobicContact CD-CZ3 3.91Å; K618-W648 HydrophobicContact CG-CB 4.33Å; K618-W648 HydrophobicContact CG-CD2 3.84Å; K618-W648 HydrophobicContact CG-CE3 3.89Å; K618-W648 HydrophobicContact CG-CG 4.06Å; K618-W648 HydrophobicContact CG-CZ3 4.47Å; K618-I671 VanDerWaalsContact C-CD1 3.41Å
619	S	88.2	Confident	84	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	171	63	0	0	0	0	113.4	L571 R572 E674	L571-S619 PolarHBondContact N-O 2.67Å; R572-S619 VanDerWaalsContact CD-OG 3.23Å; R572-S619 WeakPolarHBondContact CD-OG 3.39Å; R572-S619 PolarHBondContact N-O 3.44Å; S619-E674 VanDerWaalsContact CB-OE2 3.29Å; S619-E674 WeakPolarHBondContact CB-OE2 3.43Å; S619-E674 VanDerWaalsContact OG-CD 3.3Å; S619-E674 PolarHBondContact OG-OE1 2.8Å; S619-E674 PolarHBondContact OG-OE2 2.87Å
620	T	86.7	Confident	84.1	Confident	12 Å²	12	29 Å²	29	7%	0.074	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.4	169	46.8	0	0	0	0	113.8	S570 R572 K618 E1072	S570-T620 VanDerWaalsContact CB-O 3.25Å; S570-T620 WeakPolarHBondContact CB-O 3.19Å; R572-T620 HydrophobicContact CB-CG2 3.66Å; R572-T620 HydrophobicContact CG-CG2 3.83Å; K618-T620 PolarHBondContact O-N 3.44Å; T620-E1072 WeakPolarHBondContact CB-OE2 3.36Å; T620-E1072 WeakPolarHBondContact CG2-OE2 3.45Å; T620-E1072 PolarHBondContact OG1-OE2 3.47Å; T620-E1072 VanDerWaalsContact OG1-OE2 3.05Å
621	N	89.1	Confident	84.7	Confident	19 Å²	19	25.6 Å²	25.6	10%	0.102	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-3.7	176.8	-66.6	-12.8	0	0	0	113.2	R616 K618 T633	R616-N621 PolarHBondContact O-ND2 3.31Å; K618-N621 HydrophobicContact CB-CB 4.43Å; K618-N621 CarbonylContact O-C 3.59Å; K618-N621 PolarHBondContact O-N 3.43Å; N621-T633 WeakPolarHBondContact O-CG2 3.48Å; N621-T633 PolarHBondContact O-N 3.4Å
622	C	90.9	Very high	85.1	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.2	162.9	-59.3	0	0	0	0	108.1	S570 L571 I599 K618 V630	S570-C622 CarbonylContact C-O 3.54Å; S570-C622 VanDerWaalsContact CA-O 3.3Å; S570-C622 WeakPolarHBondContact CA-O 3.02Å; L571-C622 HydrophobicContact CB-CB 3.97Å; L571-C622 HydrophobicContact CD2-CB 4.15Å; L571-C622 PolarHBondContact N-O 3.2Å; I599-C622 HydrophobicContact CD1-CB 4.28Å; K618-C622 PolarHBondContact O-N 3.23Å; K618-C622 VanDerWaalsContact O-N 3.08Å; K618-C622 PolarHBondContact O-SG 3.39Å; C622-V630 HydrophobicContact CB-CG1 3.89Å
623	V	89.1	Confident	85.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152	-172.9	-61.4	0	0	0	0	111.2	T547 C566 G569 V630 K631 T633 Y1073	T547-V623 HydrophobicContact CG2-CG2 3.54Å; C566-V623 HydrophobicContact CB-CB 3.91Å; C566-V623 HydrophobicContact CB-CG2 3.87Å; C566-V623 VanDerWaalsContact SG-CG2 3.6Å; G569-V623 CarbonylContact O-C 3.59Å; G569-V623 VanDerWaalsContact O-CA 3.32Å; G569-V623 WeakPolarHBondContact O-CA 3.32Å; V623-V630 WeakPolarHBondContact O-CA 3.5Å; V623-K631 HydrophobicContact CG2-CB 4.16Å; V623-K631 WeakPolarHBondContact CG2-O 3.49Å; V623-K631 PolarHBondContact N-O 2.84Å; V623-K631 PolarHBondContact O-N 3.03Å; V623-K631 VanDerWaalsContact O-O 3.14Å; V623-T633 HydrophobicContact CG1-CG2 3.91Å; V623-T633 HydrophobicContact CG2-CG2 4.41Å; V623-Y1073 HydrophobicContact CB-CE2 4.35Å; V623-Y1073 HydrophobicContact CG1-CD2 3.65Å; V623-Y1073 HydrophobicContact CG1-CE2 3.49Å; V623-Y1073 VanDerWaalsContact CG1-CE2 3.49Å
624	V	84.9	Confident	85.2	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.024	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.3	-164.9	-175	0	0	0	0	112.2	C566 R568 G569 I574 M628 V629 V630	C566-V624 CarbonylContact C-O 3.52Å; C566-V624 WeakPolarHBondContact CB-O 3.42Å; R568-V624 HydrophobicContact CB-CB 4.25Å; R568-V624 HydrophobicContact CB-CG1 4.44Å; R568-V624 WeakPolarHBondContact CB-O 3.38Å; R568-V624 PolarHBondContact N-O 3.35Å; G569-V624 PolarHBondContact O-N 3Å; I574-V624 HydrophobicContact CD1-CB 3.71Å; I574-V624 HydrophobicContact CD1-CG1 3.98Å; I574-V624 HydrophobicContact CD1-CG2 3.71Å; V624-M628 HydrophobicContact CG1-CE 4.07Å; V624-M628 HydrophobicContact CG1-SD 4.3Å; V624-V629 WeakPolarHBondContact CA-O 3.23Å; V624-V630 HydrophobicContact CG2-CG2 4.34Å
625	D	80.1	Confident	85	Confident	23 Å²	23	21.7 Å²	21.7	12%	0.123	10%	0.103	C	C	.	.			trans	-80.4	-179.7	179.8	91.4	-19.9	0	0	0	112.7	R568 R627 M628 V629	R568-D625 VanDerWaalsContact CD-O 3.3Å; R568-D625 WeakPolarHBondContact CD-O 3.03Å; R568-D625 PolarHBondContact NE-O 3.05Å; D625-R627 PolarHBondContact O-N 3.25Å; D625-R627 VanDerWaalsContact OD1-CA 3.29Å; D625-R627 WeakPolarHBondContact OD1-CA 2.98Å; D625-R627 WeakPolarHBondContact OD1-CB 3.48Å; D625-R627 PolarHBondContact OD1-N 2.68Å; D625-M628 PolarHBondContact O-N 2.88Å; D625-M628 PolarHBondContact OD1-N 2.71Å; D625-M628 VanDerWaalsContact OD1-N 3.11Å; D625-V629 PolarHBondContact N-O 3.29Å; D625-V629 PolarHBondContact OD1-N 2.97Å
626	N	69.6	Low	84.4	Confident	83 Å²	83	21 Å²	21	44%	0.444	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.5	-179.4	-66.8	33.3	0	0	0	112.7	Q567 R568 M628	Q567-N626 VanDerWaalsContact CB-OD1 3.3Å; Q567-N626 WeakPolarHBondContact CB-OD1 3.2Å; Q567-N626 VanDerWaalsContact CD-ND2 3.3Å; Q567-N626 WeakPolarHBondContact CG-OD1 3.07Å; Q567-N626 PolarHBondContact OE1-ND2 2.84Å; Q567-N626 PolarHBondContact OE1-OD1 2.86Å; R568-N626 PolarHBondContact NE-O 2.86Å; R568-N626 PolarHBondContact NH2-O 3.17Å; R568-N626 VanDerWaalsContact NH2-O 3.13Å; N626-M628 VanDerWaalsContact C-N 3.3Å; N626-M628 PolarHBondContact O-N 3.18Å
627	R	70.3	Confident	83.5	Confident	176 Å²	176	20.3 Å²	20.3	66%	0.664	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	8.5	-174.6	-56.7	179.6	174.5	-168.1	-2.1	113.1	D625 V629 R769	D625-R627 PolarHBondContact O-N 3.25Å; D625-R627 VanDerWaalsContact OD1-CA 3.29Å; D625-R627 WeakPolarHBondContact OD1-CA 2.98Å; D625-R627 WeakPolarHBondContact OD1-CB 3.48Å; D625-R627 PolarHBondContact OD1-N 2.68Å; R627-V629 VanDerWaalsContact C-N 3.28Å; R627-V629 HydrophobicContact CB-CG2 4.47Å; R627-V629 PolarHBondContact O-N 2.66Å; R627-R769 PolarHBondContact O-NH1 2.02Å
628	M	74.8	Confident	82.5	Confident	14 Å²	14	22.5 Å²	22.5	7%	0.069	11%	0.105	C	C	.	.	S	Bend	trans	61.3	30.4	-174.5	-57.9	-63	-52.2	0	0	113.6	R568 I574 Y581 F586 F591 V624 D625 N626	R568-M628 WeakPolarHBondContact CD-SD 3.19Å; R568-M628 PolarHBondContact NE-SD 3.34Å; I574-M628 HydrophobicContact CD1-CE 4.31Å; Y581-M628 HydrophobicContact CE1-CE 4.37Å; Y581-M628 HydrophobicContact CE1-SD 4.43Å; F586-M628 HydrophobicContact CE1-CE 3.8Å; F586-M628 HydrophobicContact CZ-CE 3.66Å; F586-M628 HydrophobicContact CZ-CG 4.24Å; F586-M628 HydrophobicContact CZ-SD 4Å; F591-M628 HydrophobicContact CE1-CE 4.3Å; F591-M628 HydrophobicContact CE2-CB 4.03Å; F591-M628 HydrophobicContact CE2-CE 4.11Å; F591-M628 HydrophobicContact CZ-CB 4.42Å; F591-M628 HydrophobicContact CZ-CE 3.47Å; F591-M628 VanDerWaalsContact CZ-CE 3.47Å; V624-M628 HydrophobicContact CG1-CE 4.07Å; V624-M628 HydrophobicContact CG1-SD 4.3Å; D625-M628 PolarHBondContact O-N 2.88Å; D625-M628 PolarHBondContact OD1-N 2.71Å; D625-M628 VanDerWaalsContact OD1-N 3.11Å; N626-M628 VanDerWaalsContact C-N 3.3Å; N626-M628 PolarHBondContact O-N 3.18Å
629	V	83.2	Confident	81.2	Confident	11 Å²	11	23.8 Å²	23.8	7%	0.067	12%	0.116	C	C	.	.			trans	-92.5	138.7	171.4	171.4	0	0	0	0	109.5	Y544 D598 V624 D625 R627	Y544-V629 HydrophobicContact CD1-CG1 4.23Å; Y544-V629 HydrophobicContact CE1-CB 4.39Å; Y544-V629 HydrophobicContact CE1-CG1 3.63Å; Y544-V629 HydrophobicContact CE1-CG2 4.11Å; D598-V629 WeakPolarHBondContact OD2-CA 3.25Å; D598-V629 WeakPolarHBondContact OD2-CG1 3.41Å; V624-V629 WeakPolarHBondContact CA-O 3.23Å; D625-V629 PolarHBondContact N-O 3.29Å; D625-V629 PolarHBondContact OD1-N 2.97Å; R627-V629 VanDerWaalsContact C-N 3.28Å; R627-V629 HydrophobicContact CB-CG2 4.47Å; R627-V629 PolarHBondContact O-N 2.66Å
630	V	89.1	Confident	80.1	Confident	1 Å²	1	25 Å²	25	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.5	177.6	-165.8	0	0	0	0	110.8	N545 V595 D598 I599 C622 V623 V624	N545-V630 PolarHBondContact ND2-O 3.11Å; V595-V630 HydrophobicContact CB-CG2 4.19Å; V595-V630 HydrophobicContact CG1-CG2 3.85Å; V595-V630 HydrophobicContact CG2-CG2 4.17Å; D598-V630 HydrophobicContact CB-CB 3.82Å; D598-V630 HydrophobicContact CB-CG2 4.16Å; D598-V630 PolarHBondContact OD2-N 2.77Å; I599-V630 HydrophobicContact CD1-CG1 4.17Å; I599-V630 HydrophobicContact CG1-CB 4.13Å; I599-V630 HydrophobicContact CG1-CG1 3.65Å; C622-V630 HydrophobicContact CB-CG1 3.89Å; V623-V630 WeakPolarHBondContact O-CA 3.5Å; V624-V630 HydrophobicContact CG2-CG2 4.34Å
631	K	91.7	Very high	79.1	Confident	16 Å²	16	25 Å²	25	7%	0.07	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.6	168.1	-60.8	-168	172.3	-151.8	0	110.3	Y544 N545 T547 E564 V623	Y544-K631 WeakPolarHBondContact O-CE 3.29Å; N545-K631 CarbonylContact O-C 3.51Å; N545-K631 WeakPolarHBondContact O-CA 3.46Å; T547-K631 HydrophobicContact CG2-CB 3.93Å; E564-K631 IonicContact OE1-NZ 2.79Å; E564-K631 PolarHBondContact OE1-NZ 3.42Å; E564-K631 IonicContact OE2-NZ 2.72Å; E564-K631 PolarHBondContact OE2-NZ 2.7Å; V623-K631 HydrophobicContact CG2-CB 4.16Å; V623-K631 WeakPolarHBondContact CG2-O 3.49Å; V623-K631 PolarHBondContact N-O 2.84Å; V623-K631 PolarHBondContact O-N 3.03Å; V623-K631 VanDerWaalsContact O-O 3.14Å
632	I	92.8	Very high	77.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.5	175.6	-47.8	178.1	0	0	0	109.1	N545 L546 T547 I599 M603 H614 L617 F635	N545-I632 PolarHBondContact O-N 3.45Å; L546-I632 HydrophobicContact CD2-CB 3.83Å; L546-I632 HydrophobicContact CD2-CD1 4.39Å; L546-I632 HydrophobicContact CD2-CG1 4.35Å; T547-I632 PolarHBondContact N-O 3.05Å; T547-I632 PolarHBondContact OG1-O 3.21Å; I599-I632 HydrophobicContact CG2-CD1 4.14Å; M603-I632 HydrophobicContact CB-CD1 4.48Å; M603-I632 HydrophobicContact CG-CD1 3.57Å; M603-I632 HydrophobicContact SD-CD1 3.67Å; H614-I632 VanDerWaalsContact NE2-CG2 3.35Å; H614-I632 WeakPolarHBondContact NE2-CG2 3.47Å; L617-I632 HydrophobicContact CD1-CD1 4.44Å; L617-I632 HydrophobicContact CD1-CG2 3.96Å; I632-F635 WeakPolarHBondContact O-CE1 3.34Å
633	T	88.8	Confident	76.5	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	16%	0.163	C	C	.	.			trans	-130.1	166.8	-178.5	-155.8	0	0	0	0	112	T547 H614 N621 V623 F635	T547-T633 WeakPolarHBondContact OG1-CA 3.32Å; T547-T633 WeakPolarHBondContact OG1-CB 3.45Å; T547-T633 PolarHBondContact OG1-OG1 2.82Å; H614-T633 PolarHBondContact CE1-O 3.24Å; H614-T633 PolarHBondContact NE2-O 2.95Å; N621-T633 WeakPolarHBondContact O-CG2 3.48Å; N621-T633 PolarHBondContact O-N 3.4Å; V623-T633 HydrophobicContact CG1-CG2 3.91Å; V623-T633 HydrophobicContact CG2-CG2 4.41Å; T633-F635 PolarHBondContact O-N 3.28Å
634	D	82.8	Confident	75.4	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.053	19%	0.186	C	C	.	.	S	Bend	trans	58.5	26.7	176.7	-53	-20.7	0	0	0	115.9	K518 R616 L1076	K518-D634 IonicContact NZ-OD1 2.69Å; K518-D634 PolarHBondContact NZ-OD1 3.46Å; K518-D634 IonicContact NZ-OD2 3.98Å; K518-D634 PolarHBondContact NZ-OD2 3.24Å; R616-D634 PolarHBondContact NH2-O 3.21Å; D634-L1076 HydrophobicContact CB-CD2 4.18Å; D634-L1076 VanDerWaalsContact OD1-CD2 3.28Å; D634-L1076 WeakPolarHBondContact OD1-CD2 3.4Å
635	F	84.4	Confident	75	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	21%	0.209	C	C	.	.			trans	-73.9	164.3	162	57.1	-85.9	0	0	0	111.4	L538 I541 L546 L606 I632 T633 C637	L538-F635 HydrophobicContact CD2-CD2 3.49Å; L538-F635 VanDerWaalsContact CD2-CD2 3.49Å; L538-F635 HydrophobicContact CD2-CE2 3.34Å; L538-F635 HydrophobicContact CD2-CG 4.45Å; L538-F635 HydrophobicContact CD2-CZ 4.19Å; I541-F635 HydrophobicContact CD1-CD2 4.42Å; I541-F635 HydrophobicContact CD1-CE2 3.83Å; I541-F635 HydrophobicContact CG2-CE2 4.09Å; I541-F635 HydrophobicContact CG2-CZ 4.21Å; L546-F635 HydrophobicContact CB-CE1 4.07Å; L546-F635 HydrophobicContact CB-CZ 4.02Å; L546-F635 HydrophobicContact CD1-CE2 4.33Å; L546-F635 HydrophobicContact CD1-CZ 4.1Å; L546-F635 HydrophobicContact CD2-CD1 4.41Å; L546-F635 HydrophobicContact CD2-CE1 4.15Å; L546-F635 HydrophobicContact CG-CE1 4.48Å; L546-F635 HydrophobicContact CG-CZ 4.45Å; L606-F635 HydrophobicContact CD1-CB 4.37Å; L606-F635 HydrophobicContact CD1-CD2 3.71Å; L606-F635 HydrophobicContact CD1-CE2 4.29Å; L606-F635 HydrophobicContact CD1-CG 4.17Å; L606-F635 HydrophobicContact CD2-CB 3.85Å; L606-F635 HydrophobicContact CD2-CG 4.28Å; I632-F635 WeakPolarHBondContact O-CE1 3.34Å; T633-F635 PolarHBondContact O-N 3.28Å; F635-C637 PolarHBondContact O-N 3.36Å
636	G	70.6	Confident	75.1	Confident	5 Å²	5	41.6 Å²	41.6	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	72.6	-6.5	164.5	0	0	0	0	0	119.3	I611	I611-G636 VanDerWaalsContact CG2-CA 3.41Å
637	C	66.6	Low	75.9	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.041	19%	0.194	C	C	.	.			trans	-104	92.3	167.4	-68.2	0	0	0	0	108.9	L538 F635 I640 L641	L538-C637 WeakPolarHBondContact CD1-SG 3.39Å; F635-C637 PolarHBondContact O-N 3.36Å; C637-I640 HydrophobicContact CB-CB 4.21Å; C637-L641 HydrophobicContact CB-CB 3.91Å; C637-L641 HydrophobicContact CB-CD1 3.73Å; C637-L641 HydrophobicContact CB-CG 4.46Å; C637-L641 WeakPolarHBondContact O-CB 3.41Å
638	H	67.9	Low	76.8	Confident	47 Å²	47	30.7 Å²	30.7	22%	0.218	17%	0.165	C	C	.	.	S	Bend	trans	-98.6	-40.7	173.8	-64.5	150.4	0	0	0	111	E534 V613 H614 L641	E534-H638 WeakPolarHBondContact OE1-CA 3.33Å; E534-H638 PolarHBondContact OE1-N 3.36Å; V613-H638 PolarHBondContact O-CE1 2.96Å; H614-H638 PolarHBondContact O-NE2 2.84Å; H638-L641 CarbonylContact O-C 3.59Å; H638-L641 PolarHBondContact O-N 2.67Å
639	T	64	Low	77.5	Confident	62 Å²	62	31.3 Å²	31.3	38%	0.38	17%	0.17	S	C	.	.	S	Bend	trans	-78.5	-24.6	179.1	-56.6	0	0	0	0	113.3	E530 Q531 E534	E530-T639 HydrophobicContact CB-CG2 4.4Å; Q531-T639 HydrophobicContact CG-CG2 3.83Å; Q531-T639 PolarHBondContact NE2-O 3.05Å; E534-T639 PolarHBondContact OE1-N 3.03Å; E534-T639 PolarHBondContact OE2-N 3.21Å
640	I	64.5	Low	77.9	Confident	26 Å²	26	30.8 Å²	30.8	13%	0.133	17%	0.167	C	C	.	.	S	Bend	trans	-80	-22.1	169.7	-59.3	175.9	0	0	0	111.5	L520 F527 Q531 E534 L535 C637	L520-I640 HydrophobicContact CD2-CG2 3.95Å; F527-I640 HydrophobicContact CD1-CD1 4.44Å; F527-I640 HydrophobicContact CE1-CD1 4.47Å; Q531-I640 HydrophobicContact CB-CD1 4.04Å; Q531-I640 HydrophobicContact CB-CG1 3.75Å; Q531-I640 HydrophobicContact CG-CD1 4.38Å; Q531-I640 HydrophobicContact CG-CG1 3.53Å; E534-I640 PolarHBondContact OE2-N 3.13Å; L535-I640 HydrophobicContact CD1-CD1 3.85Å; L535-I640 HydrophobicContact CD2-CD1 3.82Å; L535-I640 HydrophobicContact CG-CD1 3.67Å; C637-I640 HydrophobicContact CB-CB 4.21Å
641	L	65.4	Low	77.9	Confident	11 Å²	11	30.8 Å²	30.8	6%	0.058	17%	0.166	C	C	.	.	S	Bend	trans	-153.3	70.5	-147.6	-107.5	169.8	0	0	0	112	R616 C637 H638 L1076 A1077	R616-L641 PolarHBondContact NH1-O 3.34Å; C637-L641 HydrophobicContact CB-CB 3.91Å; C637-L641 HydrophobicContact CB-CD1 3.73Å; C637-L641 HydrophobicContact CB-CG 4.46Å; C637-L641 WeakPolarHBondContact O-CB 3.41Å; H638-L641 CarbonylContact O-C 3.59Å; H638-L641 PolarHBondContact O-N 2.67Å; L641-L1076 HydrophobicContact CD1-CB 3.87Å; L641-L1076 HydrophobicContact CD1-CD1 4.06Å; L641-L1076 HydrophobicContact CD1-CD2 3.77Å; L641-L1076 HydrophobicContact CD1-CG 4.07Å; L641-L1076 HydrophobicContact CD2-CB 3.79Å; L641-L1076 HydrophobicContact CG-CB 4.29Å; L641-A1077 HydrophobicContact CD2-CB 4.26Å
642	M	62.3	Low	77.8	Confident	127 Å²	127	31.9 Å²	31.9	63%	0.626	17%	0.172	S	C	*	.			trans	-41.6	137.5	-172.6	-60.8	-57.4	-69.9	0	0	114.3	G644 T1079	M642-G644 PolarHBondContact O-N 3.23Å; M642-G644 VanDerWaalsContact O-N 3.15Å; M642-T1079 HydrophobicContact CB-CG2 4.35Å
643	P	64.1	Low	77.5	Confident	53 Å²	53	33 Å²	33	34%	0.344	18%	0.177	S	C	.	.			trans	-60.3	113.8	169.9	-23.6	34.6	0	0	0	111.6	V659	P643-V659 HydrophobicContact CB-CG1 4.08Å; P643-V659 HydrophobicContact CG-CG1 3.79Å
644	G	65.6	Low	77.4	Confident	47 Å²	47	33.2 Å²	33.2	49%	0.485	18%	0.178	S	C	.	.			trans	-74.6	144.5	173.4	0	0	0	0	0	112	M642 T649	M642-G644 PolarHBondContact O-N 3.23Å; M642-G644 VanDerWaalsContact O-N 3.15Å; G644-T649 PolarHBondContact O-OG1 2.94Å; G644-T649 VanDerWaalsContact O-OG1 3.11Å
645	R	76.5	Confident	77.6	Confident	137 Å²	137	37.5 Å²	37.5	52%	0.517	19%	0.193	S	C	.	.			trans	-83.5	111.4	170.1	-66.5	-176.9	178.3	177.7	0.1	109.1	L654 D657	R645-L654 HydrophobicContact CB-CD2 3.96Å; R645-L654 HydrophobicContact CG-CD2 4.16Å; R645-D657 IonicContact CZ-OD1 2.7Å; R645-D657 VanDerWaalsContact CZ-OD1 3.24Å; R645-D657 IonicContact CZ-OD2 3.63Å; R645-D657 IonicContact NE-OD1 3.19Å; R645-D657 PolarHBondContact NE-OD1 3.16Å; R645-D657 IonicContact NH2-OD1 2.82Å; R645-D657 PolarHBondContact NH2-OD1 3.32Å; R645-D657 IonicContact NH2-OD2 3.4Å; R645-D657 PolarHBondContact NH2-OD2 2.94Å
646	D	82.3	Confident	77.6	Confident	32 Å²	32	45.1 Å²	45.1	17%	0.171	23%	0.226	C	C	.	.			trans	-147.9	173.5	-173.2	-156.5	-15.2	0	0	0	111.2	K618 W648 T649 L694	K618-D646 VanDerWaalsContact CE-OD2 3.28Å; K618-D646 WeakPolarHBondContact CE-OD2 3.32Å; K618-D646 IonicContact NZ-OD2 3.37Å; K618-D646 PolarHBondContact NZ-OD2 3.14Å; D646-W648 HydrophobicContact CB-CE3 4.2Å; D646-W648 PolarHBondContact O-N 2.94Å; D646-W648 VanDerWaalsContact OD2-CZ3 3.24Å; D646-W648 WeakPolarHBondContact OD2-CZ3 3.5Å; D646-T649 PolarHBondContact N-OG1 2.79Å; D646-T649 WeakPolarHBondContact O-CB 3.46Å; D646-T649 PolarHBondContact O-N 3.34Å; D646-T649 PolarHBondContact O-OG1 3.27Å; D646-L694 VanDerWaalsContact C-CD2 3.44Å; D646-L694 WeakPolarHBondContact O-CD2 3.47Å
647	L	86.4	Confident	78	Confident	13 Å²	13	50 Å²	50	7%	0.068	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.2	-173.9	-64.6	171.9	0	0	0	113.8	P681 F682 T690 K693 L694	L647-P681 HydrophobicContact CD1-CB 4.46Å; L647-F682 HydrophobicContact CB-CB 4.06Å; L647-F682 HydrophobicContact CD1-CB 4.06Å; L647-F682 HydrophobicContact CD2-CB 4.27Å; L647-F682 HydrophobicContact CD2-CG 4.45Å; L647-F682 HydrophobicContact CG-CB 4.36Å; L647-T690 HydrophobicContact CD1-CG2 4.06Å; L647-T690 HydrophobicContact CD2-CG2 4.27Å; L647-T690 HydrophobicContact CG-CG2 4.08Å; L647-K693 HydrophobicContact CD2-CB 3.64Å; L647-K693 HydrophobicContact CD2-CD 4.13Å; L647-L694 HydrophobicContact CD2-CD2 4.1Å; L647-L694 HydrophobicContact CD2-CG 4.07Å
648	W	89.8	Confident	78.7	Confident	16 Å²	16	51.5 Å²	51.5	6%	0.061	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.6	171.2	-60.5	-90.6	0	0	0	113.4	K618 D646 Y666 S667 I670 E674 P681	K618-W648 HydrophobicContact CB-CD2 4.16Å; K618-W648 HydrophobicContact CB-CG 4.44Å; K618-W648 HydrophobicContact CD-CD2 4.18Å; K618-W648 HydrophobicContact CD-CE3 3.72Å; K618-W648 HydrophobicContact CD-CH2 4.48Å; K618-W648 HydrophobicContact CD-CZ3 3.91Å; K618-W648 HydrophobicContact CG-CB 4.33Å; K618-W648 HydrophobicContact CG-CD2 3.84Å; K618-W648 HydrophobicContact CG-CE3 3.89Å; K618-W648 HydrophobicContact CG-CG 4.06Å; K618-W648 HydrophobicContact CG-CZ3 4.47Å; D646-W648 HydrophobicContact CB-CE3 4.2Å; D646-W648 PolarHBondContact O-N 2.94Å; D646-W648 VanDerWaalsContact OD2-CZ3 3.24Å; D646-W648 WeakPolarHBondContact OD2-CZ3 3.5Å; W648-Y666 WeakPolarHBondContact O-CD1 3.47Å; W648-S667 WeakPolarHBondContact O-CA 3.49Å; W648-S667 WeakPolarHBondContact O-CB 3.48Å; W648-S667 PolarHBondContact O-OG 3.15Å; W648-I670 HydrophobicContact CG-CG2 4.27Å; W648-E674 WeakPolarHBondContact CZ2-OE1 3.34Å; W648-E674 PolarHBondContact NE1-OE1 3.06Å; W648-P681 HydrophobicContact CH2-CB 3.73Å; W648-P681 HydrophobicContact CH2-CG 3.46Å; W648-P681 VanDerWaalsContact CH2-CG 3.46Å; W648-P681 HydrophobicContact CZ2-CB 3.5Å; W648-P681 HydrophobicContact CZ2-CG 3.37Å; W648-P681 HydrophobicContact CZ3-CB 4.43Å
649	T	89.2	Confident	79.6	Confident	28 Å²	28	51.7 Å²	51.7	17%	0.172	27%	0.273	C	S	.	.	S	Bend	trans	-74	130.5	179.5	-49.3	0	0	0	0	110.4	G644 D646 H653 L654 Y666	G644-T649 PolarHBondContact O-OG1 2.94Å; G644-T649 VanDerWaalsContact O-OG1 3.11Å; D646-T649 PolarHBondContact N-OG1 2.79Å; D646-T649 WeakPolarHBondContact O-CB 3.46Å; D646-T649 PolarHBondContact O-N 3.34Å; D646-T649 PolarHBondContact O-OG1 3.27Å; T649-H653 HydrophobicContact CG2-CB 3.94Å; T649-L654 HydrophobicContact CG2-CD2 3.85Å; T649-L654 HydrophobicContact CG2-CG 3.98Å; T649-Y666 WeakPolarHBondContact O-CE1 3.32Å
650	A	90.3	Very high	80.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.			trans	-68.9	151.1	-174.5	0	0	0	0	0	113.3	E652 H653 L654 Y666	A650-E652 VanDerWaalsContact C-N 3.27Å; A650-E652 VanDerWaalsContact CB-CD 3.48Å; A650-E652 WeakPolarHBondContact CB-OE1 3.47Å; A650-E652 WeakPolarHBondContact CB-OE2 3.28Å; A650-E652 PolarHBondContact O-N 3.45Å; A650-H653 PolarHBondContact O-N 3.23Å; A650-L654 PolarHBondContact O-N 3.44Å; A650-Y666 VanDerWaalsContact CA-CD1 3.5Å; A650-Y666 HydrophobicContact CB-CD1 3.84Å; A650-Y666 HydrophobicContact CB-CD2 4.44Å; A650-Y666 HydrophobicContact CB-CG 3.78Å
651	P	89.7	Confident	82.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-38.1	-174	-21.3	29.2	0	0	0	113.5	L654 R655 Y666 V697	P651-L654 PolarHBondContact O-N 3.28Å; P651-R655 VanDerWaalsContact O-CG 3.29Å; P651-R655 WeakPolarHBondContact O-CG 3.31Å; P651-R655 PolarHBondContact O-N 2.98Å; P651-R655 VanDerWaalsContact O-N 3.1Å; P651-Y666 HydrophobicContact CG-CD2 4.45Å; P651-Y666 HydrophobicContact CG-CE2 3.93Å; P651-V697 HydrophobicContact CB-CG1 4.09Å; P651-V697 HydrophobicContact CG-CG1 3.79Å
652	E	89.1	Confident	83.5	Confident	39 Å²	39	54.8 Å²	54.8	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-38.8	177.2	68.4	-76.4	-177.9	0	0	112.6	A650 R655 K656 P734 R737	A650-E652 VanDerWaalsContact C-N 3.27Å; A650-E652 VanDerWaalsContact CB-CD 3.48Å; A650-E652 WeakPolarHBondContact CB-OE1 3.47Å; A650-E652 WeakPolarHBondContact CB-OE2 3.28Å; A650-E652 PolarHBondContact O-N 3.45Å; E652-R655 PolarHBondContact O-N 3.17Å; E652-K656 PolarHBondContact O-N 3.48Å; E652-P734 HydrophobicContact CG-CG 4.14Å; E652-R737 IonicContact OE1-CZ 3.49Å; E652-R737 IonicContact OE1-NH1 3.52Å; E652-R737 PolarHBondContact OE1-NH1 2.94Å; E652-R737 IonicContact OE1-NH2 3.33Å; E652-R737 IonicContact OE2-CZ 3.89Å; E652-R737 IonicContact OE2-NH1 2.66Å; E652-R737 PolarHBondContact OE2-NH1 2.87Å; E652-R737 IonicContact OE2-NH2 3.1Å; E652-R737 PolarHBondContact OE2-NH2 3.41Å
653	H	87.4	Confident	84.8	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.116	26%	0.257	C	S	.	.	H	α-helix	trans	-77.2	-27.2	178.2	-60.5	140.4	0	0	0	112.8	T649 A650 R655 K656 G658 S660	T649-H653 HydrophobicContact CG2-CB 3.94Å; A650-H653 PolarHBondContact O-N 3.23Å; H653-R655 VanDerWaalsContact C-N 3.34Å; H653-K656 WeakPolarHBondContact CA-O 3.42Å; H653-K656 CarbonylContact O-C 3.54Å; H653-G658 WeakPolarHBondContact CB-O 3.11Å; H653-G658 PolarHBondContact CD2-O 3.3Å; H653-G658 VanDerWaalsContact CG-O 3.29Å; H653-S660 PolarHBondContact CE1-N 3.08Å; H653-S660 VanDerWaalsContact CE1-N 3.25Å; H653-S660 PolarHBondContact CE1-OG 3.38Å; H653-S660 PolarHBondContact NE2-N 3.21Å; H653-S660 PolarHBondContact NE2-OG 2.8Å; H653-S660 VanDerWaalsContact NE2-OG 3.12Å
654	L	86.1	Confident	86.2	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-69.2	-31.6	168.4	-68.8	174	0	0	0	111.8	R645 T649 A650 P651 L694 V697 Q698	R645-L654 HydrophobicContact CB-CD2 3.96Å; R645-L654 HydrophobicContact CG-CD2 4.16Å; T649-L654 HydrophobicContact CG2-CD2 3.85Å; T649-L654 HydrophobicContact CG2-CG 3.98Å; A650-L654 PolarHBondContact O-N 3.44Å; P651-L654 PolarHBondContact O-N 3.28Å; L654-L694 HydrophobicContact CD1-CD2 4.34Å; L654-L694 HydrophobicContact CD2-CD2 4.39Å; L654-V697 HydrophobicContact CD1-CB 4.26Å; L654-V697 HydrophobicContact CD1-CG1 3.9Å; L654-Q698 HydrophobicContact CB-CB 4.14Å; L654-Q698 HydrophobicContact CB-CG 3.98Å; L654-Q698 PolarHBondContact O-NE2 3.18Å
655	R	87.7	Confident	87.6	Confident	100 Å²	100	44.3 Å²	44.3	38%	0.377	22%	0.219	S	C	.	.	H	α-helix	trans	-80.2	-36.2	177.7	-70.8	167.1	-167.1	142.9	17	113.2	P651 E652 H653 V697 Q698 E732	P651-R655 VanDerWaalsContact O-CG 3.29Å; P651-R655 WeakPolarHBondContact O-CG 3.31Å; P651-R655 PolarHBondContact O-N 2.98Å; P651-R655 VanDerWaalsContact O-N 3.1Å; E652-R655 PolarHBondContact O-N 3.17Å; H653-R655 VanDerWaalsContact C-N 3.34Å; R655-V697 PolarHBondContact NH2-O 2.95Å; R655-V697 VanDerWaalsContact NH2-O 3.14Å; R655-Q698 HydrophobicContact CG-CG 4.21Å; R655-Q698 PolarHBondContact NE-O 3.17Å; R655-Q698 PolarHBondContact NH2-O 3.38Å; R655-E732 IonicContact CZ-OE1 2.84Å; R655-E732 IonicContact NH1-OE1 3.42Å; R655-E732 PolarHBondContact NH1-OE1 3.43Å; R655-E732 IonicContact NH2-OE1 2.67Å; R655-E732 PolarHBondContact NH2-OE1 2.77Å
656	K	84.1	Confident	88.5	Confident	168 Å²	168	37.8 Å²	37.8	73%	0.73	19%	0.194	S	C	*	.	S	Bend	trans	-139.6	109.2	179.3	179.5	-174	177.5	-174.6	0	108.1	E652 H653 G658	E652-K656 PolarHBondContact O-N 3.48Å; H653-K656 WeakPolarHBondContact CA-O 3.42Å; H653-K656 CarbonylContact O-C 3.54Å; K656-G658 PolarHBondContact O-N 3.16Å
657	D	79.3	Confident	89	Confident	107 Å²	107	36.6 Å²	36.6	57%	0.572	19%	0.188	S	C	*	.			trans	-54.8	130.7	-175.5	-57.6	-79.4	0	0	0	111.7	R645	R645-D657 IonicContact CZ-OD1 2.7Å; R645-D657 VanDerWaalsContact CZ-OD1 3.24Å; R645-D657 IonicContact CZ-OD2 3.63Å; R645-D657 IonicContact NE-OD1 3.19Å; R645-D657 PolarHBondContact NE-OD1 3.16Å; R645-D657 IonicContact NH2-OD1 2.82Å; R645-D657 PolarHBondContact NH2-OD1 3.32Å; R645-D657 IonicContact NH2-OD2 3.4Å; R645-D657 PolarHBondContact NH2-OD2 2.94Å
658	G	81.2	Confident	89.4	Confident	39 Å²	39	36.1 Å²	36.1	40%	0.402	19%	0.185	S	C	.	.			trans	166.5	178.4	-172.4	0	0	0	0	0	111.4	H653 K656	H653-G658 WeakPolarHBondContact CB-O 3.11Å; H653-G658 PolarHBondContact CD2-O 3.3Å; H653-G658 VanDerWaalsContact CG-O 3.29Å; K656-G658 PolarHBondContact O-N 3.16Å
659	V	85.9	Confident	89.6	Confident	51 Å²	51	35.3 Å²	35.3	31%	0.309	18%	0.183	S	C	.	.			trans	-140.6	148.1	177.9	-64.7	0	0	0	0	109.9	V613 P643	V613-V659 HydrophobicContact CG1-CB 3.86Å; V613-V659 HydrophobicContact CG1-CG2 3.93Å; P643-V659 HydrophobicContact CB-CG1 4.08Å; P643-V659 HydrophobicContact CG-CG1 3.79Å
660	S	90.7	Very high	89.8	Confident	37 Å²	37	34 Å²	34	26%	0.259	17%	0.174	S	C	.	.			trans	-157.6	160.9	178.5	74.7	0	0	0	0	111.7	H653 K662 G663 D664	H653-S660 PolarHBondContact CE1-N 3.08Å; H653-S660 VanDerWaalsContact CE1-N 3.25Å; H653-S660 PolarHBondContact CE1-OG 3.38Å; H653-S660 PolarHBondContact NE2-N 3.21Å; H653-S660 PolarHBondContact NE2-OG 2.8Å; H653-S660 VanDerWaalsContact NE2-OG 3.12Å; S660-K662 VanDerWaalsContact C-N 3.3Å; S660-K662 PolarHBondContact O-N 2.7Å; S660-G663 WeakPolarHBondContact O-CA 3.44Å; S660-G663 PolarHBondContact O-N 3.2Å; S660-G663 PolarHBondContact OG-N 2.71Å; S660-D664 PolarHBondContact O-N 3.44Å; S660-D664 VanDerWaalsContact O-N 3.15Å
661	Q	91.6	Very high	89.9	Confident	82 Å²	82	34 Å²	34	38%	0.383	17%	0.174	S	C	.	.	H	α-helix	trans	-57.6	-41	178.1	-68.8	-172	-22.4	0	0	112.6	H607 P612 V613 G663 D664 V665	H607-Q661 VanDerWaalsContact CE1-CA 3.46Å; H607-Q661 WeakPolarHBondContact CE1-CA 3.28Å; H607-Q661 VanDerWaalsContact CE1-CB 3.45Å; H607-Q661 WeakPolarHBondContact CE1-CB 3.5Å; H607-Q661 PolarHBondContact CE1-O 2.83Å; H607-Q661 PolarHBondContact O-NE2 3.29Å; P612-Q661 WeakPolarHBondContact O-CG 3.15Å; P612-Q661 PolarHBondContact O-NE2 2.82Å; V613-Q661 HydrophobicContact CG2-CG 3.88Å; Q661-G663 PolarHBondContact O-N 2.77Å; Q661-D664 PolarHBondContact O-N 3.46Å; Q661-V665 PolarHBondContact O-N 3.06Å
662	K	93.6	Very high	90	Very high	45 Å²	45	34 Å²	34	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-23.5	176.5	-59.3	-62.3	-161	141.4	0	112.6	S660 Y666 P734 E735 R737	S660-K662 VanDerWaalsContact C-N 3.3Å; S660-K662 PolarHBondContact O-N 2.7Å; K662-Y666 PolarHBondContact O-N 3.24Å; K662-P734 HydrophobicContact CB-CB 3.81Å; K662-P734 WeakPolarHBondContact CD-O 3.48Å; K662-P734 WeakPolarHBondContact CE-O 3.09Å; K662-P734 HydrophobicContact CG-CB 4.2Å; K662-P734 WeakPolarHBondContact CG-O 3.33Å; K662-P734 PolarHBondContact NZ-O 3.39Å; K662-E735 PolarHBondContact NZ-O 3.02Å; K662-E735 VanDerWaalsContact NZ-O 3.14Å; K662-E735 IonicContact NZ-OE2 3.79Å; K662-R737 PolarHBondContact NZ-O 2.89Å; K662-R737 WeakPolarHBondContact O-CD 3.36Å; K662-R737 PolarHBondContact O-NH1 3.08Å
663	G	91.4	Very high	90.1	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-71.3	-42.8	169.9	0	0	0	0	0	112.7	S660 Q661 V665 Y666 S667	S660-G663 WeakPolarHBondContact O-CA 3.44Å; S660-G663 PolarHBondContact O-N 3.2Å; S660-G663 PolarHBondContact OG-N 2.71Å; Q661-G663 PolarHBondContact O-N 2.77Å; G663-V665 PolarHBondContact O-N 3.38Å; G663-Y666 WeakPolarHBondContact O-CB 3.44Å; G663-Y666 PolarHBondContact O-N 3.5Å; G663-S667 PolarHBondContact O-N 2.7Å; G663-S667 PolarHBondContact O-OG 2.03Å
664	D	92.9	Very high	90.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-34.9	174.7	-66.8	-29.8	0	0	0	111.6	M603 H607 H614 G615 S660 Q661 S667 Y668 F740	M603-D664 HydrophobicContact CE-CB 3.73Å; H607-D664 IonicContact CD2-OD2 2.66Å; H607-D664 IonicContact CE1-OD2 3.31Å; H607-D664 IonicContact NE2-OD2 2.66Å; H607-D664 PolarHBondContact NE2-OD2 2.9Å; H614-D664 PolarHBondContact N-OD2 3.09Å; G615-D664 WeakPolarHBondContact CA-OD1 3.41Å; G615-D664 PolarHBondContact N-OD1 3.46Å; S660-D664 PolarHBondContact O-N 3.44Å; S660-D664 VanDerWaalsContact O-N 3.15Å; Q661-D664 PolarHBondContact O-N 3.46Å; D664-S667 WeakPolarHBondContact O-CB 3.38Å; D664-S667 PolarHBondContact O-N 2.96Å; D664-Y668 WeakPolarHBondContact O-CB 3.45Å; D664-Y668 PolarHBondContact O-N 3.33Å; D664-F740 HydrophobicContact CB-CE2 3.94Å; D664-F740 HydrophobicContact CB-CZ 4.36Å
665	V	94.9	Very high	90.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-39.5	174.1	174.8	0	0	0	0	112.1	Q661 G663 Y668 G669 C729 R737 P738 F740 I743	Q661-V665 PolarHBondContact O-N 3.06Å; G663-V665 PolarHBondContact O-N 3.38Å; V665-Y668 WeakPolarHBondContact O-CB 3.48Å; V665-Y668 PolarHBondContact O-N 3.4Å; V665-G669 PolarHBondContact O-N 3.09Å; V665-C729 CarbonylContact C-O 3.57Å; V665-C729 HydrophobicContact CG1-CB 3.94Å; V665-R737 HydrophobicContact CG1-CB 3.99Å; V665-P738 WeakPolarHBondContact CG1-O 3.35Å; V665-P738 WeakPolarHBondContact CG2-O 3.27Å; V665-F740 HydrophobicContact CB-CE2 4.37Å; V665-F740 HydrophobicContact CG2-CD2 3.73Å; V665-F740 HydrophobicContact CG2-CE2 3.45Å; V665-F740 VanDerWaalsContact CG2-CE2 3.45Å; V665-F740 HydrophobicContact CG2-CG 4.49Å; V665-F740 HydrophobicContact CG2-CZ 4.01Å; V665-I743 HydrophobicContact CG1-CD1 3.96Å; V665-I743 HydrophobicContact CG2-CD1 4.45Å
666	Y	94.3	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-46.5	172.6	174	-80.6	0	0	0	110.7	W648 T649 A650 P651 K662 G663 Y668 G669 I670 C729 W730	W648-Y666 WeakPolarHBondContact O-CD1 3.47Å; T649-Y666 WeakPolarHBondContact O-CE1 3.32Å; A650-Y666 VanDerWaalsContact CA-CD1 3.5Å; A650-Y666 HydrophobicContact CB-CD1 3.84Å; A650-Y666 HydrophobicContact CB-CD2 4.44Å; A650-Y666 HydrophobicContact CB-CG 3.78Å; P651-Y666 HydrophobicContact CG-CD2 4.45Å; P651-Y666 HydrophobicContact CG-CE2 3.93Å; K662-Y666 PolarHBondContact O-N 3.24Å; G663-Y666 WeakPolarHBondContact O-CB 3.44Å; G663-Y666 PolarHBondContact O-N 3.5Å; Y666-Y668 VanDerWaalsContact C-N 3.28Å; Y666-Y668 PolarHBondContact O-N 2.86Å; Y666-G669 WeakPolarHBondContact O-CA 3.45Å; Y666-G669 PolarHBondContact O-N 3.47Å; Y666-I670 HydrophobicContact CD1-CG1 4.29Å; Y666-I670 HydrophobicContact CE1-CD1 4.22Å; Y666-I670 HydrophobicContact CE1-CG1 3.86Å; Y666-I670 PolarHBondContact O-N 2.94Å; Y666-I670 VanDerWaalsContact O-N 3.16Å; Y666-C729 WeakPolarHBondContact CA-O 3.38Å; Y666-C729 PolarHBondContact N-O 3.15Å; Y666-W730 HydrophobicContact CD2-CB 3.64Å; Y666-W730 HydrophobicContact CE2-CB 3.83Å; Y666-W730 HydrophobicContact CG-CB 4.45Å
667	S	93.8	Very high	90.5	Very high	7 Å²	7	20.2 Å²	20.2	5%	0.049	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-40.6	176.6	-53.3	0	0	0	0	111.9	L617 W648 G663 D664 I670 I671	L617-S667 WeakPolarHBondContact O-CB 3.42Å; W648-S667 WeakPolarHBondContact O-CA 3.49Å; W648-S667 WeakPolarHBondContact O-CB 3.48Å; W648-S667 PolarHBondContact O-OG 3.15Å; G663-S667 PolarHBondContact O-N 2.7Å; G663-S667 PolarHBondContact O-OG 2.03Å; D664-S667 WeakPolarHBondContact O-CB 3.38Å; D664-S667 PolarHBondContact O-N 2.96Å; S667-I670 PolarHBondContact O-N 3.19Å; S667-I671 WeakPolarHBondContact O-CG1 3.38Å; S667-I671 PolarHBondContact O-N 3.33Å; S667-I671 VanDerWaalsContact O-N 3.09Å
668	Y	94.9	Very high	90.8	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-40.7	172.6	177.7	-93.6	0	0	0	112.9	M596 I599 A600 D664 V665 Y666 I670 I671 A672 F740 I743 L747	M596-Y668 WeakPolarHBondContact CB-OH 3.45Å; M596-Y668 PolarHBondContact O-OH 2.89Å; I599-Y668 HydrophobicContact CB-CD2 4.4Å; I599-Y668 HydrophobicContact CB-CE2 3.98Å; I599-Y668 HydrophobicContact CG2-CD2 3.68Å; I599-Y668 HydrophobicContact CG2-CE2 3.77Å; A600-Y668 HydrophobicContact CB-CE2 4.13Å; D664-Y668 WeakPolarHBondContact O-CB 3.45Å; D664-Y668 PolarHBondContact O-N 3.33Å; V665-Y668 WeakPolarHBondContact O-CB 3.48Å; V665-Y668 PolarHBondContact O-N 3.4Å; Y666-Y668 VanDerWaalsContact C-N 3.28Å; Y666-Y668 PolarHBondContact O-N 2.86Å; Y668-I670 VanDerWaalsContact C-N 3.32Å; Y668-I670 PolarHBondContact O-N 3.4Å; Y668-I671 PolarHBondContact O-N 2.91Å; Y668-A672 WeakPolarHBondContact O-CB 3.19Å; Y668-A672 PolarHBondContact O-N 2.62Å; Y668-F740 HydrophobicContact CD1-CE1 4.26Å; Y668-F740 AromaticContact CD2-CE1 3.76Å; Y668-F740 HydrophobicContact CD2-CE1 3.76Å; Y668-F740 HydrophobicContact CD2-CZ 4.49Å; Y668-F740 HydrophobicContact CE2-CE1 4.42Å; Y668-F740 AromaticContact CG-CE1 3.66Å; Y668-F740 HydrophobicContact CG-CE1 3.66Å; Y668-F740 HydrophobicContact CG-CZ 4.18Å; Y668-I743 HydrophobicContact CD1-CD1 4.18Å; Y668-I743 HydrophobicContact CD1-CG2 4.43Å; Y668-I743 HydrophobicContact CE1-CD1 4.39Å; Y668-I743 HydrophobicContact CE1-CG2 3.63Å; Y668-L747 WeakPolarHBondContact OH-CD1 3.49Å
669	G	93.2	Very high	90.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.1	-41.1	173.9	0	0	0	0	0	113.2	V665 Y666 A672 H673 W730	V665-G669 PolarHBondContact O-N 3.09Å; Y666-G669 WeakPolarHBondContact O-CA 3.45Å; Y666-G669 PolarHBondContact O-N 3.47Å; G669-A672 PolarHBondContact O-N 3.3Å; G669-H673 PolarHBondContact O-N 2.87Å; G669-H673 VanDerWaalsContact O-N 3.12Å; G669-W730 WeakPolarHBondContact O-CZ3 3.48Å
670	I	93.3	Very high	90.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-40.4	174.9	-54.9	-60.5	0	0	0	111.4	W648 Y666 S667 Y668 H673 E674 F682 P708 W730	W648-I670 HydrophobicContact CG-CG2 4.27Å; Y666-I670 HydrophobicContact CD1-CG1 4.29Å; Y666-I670 HydrophobicContact CE1-CD1 4.22Å; Y666-I670 HydrophobicContact CE1-CG1 3.86Å; Y666-I670 PolarHBondContact O-N 2.94Å; Y666-I670 VanDerWaalsContact O-N 3.16Å; S667-I670 PolarHBondContact O-N 3.19Å; Y668-I670 VanDerWaalsContact C-N 3.32Å; Y668-I670 PolarHBondContact O-N 3.4Å; I670-H673 WeakPolarHBondContact O-CB 3.48Å; I670-H673 PolarHBondContact O-N 2.88Å; I670-E674 PolarHBondContact O-N 3.45Å; I670-F682 HydrophobicContact CD1-CD2 3.8Å; I670-F682 HydrophobicContact CD1-CE2 4.12Å; I670-P708 HydrophobicContact CD1-CG 3.6Å; I670-W730 HydrophobicContact CD1-CE3 3.84Å; I670-W730 HydrophobicContact CD1-CZ3 4.17Å
671	I	93.4	Very high	90.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.8	-39.9	177.2	-64.7	165.4	0	0	0	111.3	L571 I599 L617 K618 S667 Y668 H673 E674 I675	L571-I671 HydrophobicContact CD2-CG2 4.32Å; I599-I671 HydrophobicContact CD1-CG2 4.15Å; L617-I671 HydrophobicContact CD1-CD1 4.21Å; L617-I671 HydrophobicContact CD2-CD1 4.27Å; L617-I671 HydrophobicContact CG-CD1 3.7Å; K618-I671 VanDerWaalsContact C-CD1 3.41Å; S667-I671 WeakPolarHBondContact O-CG1 3.38Å; S667-I671 PolarHBondContact O-N 3.33Å; S667-I671 VanDerWaalsContact O-N 3.09Å; Y668-I671 PolarHBondContact O-N 2.91Å; I671-H673 VanDerWaalsContact C-N 3.3Å; I671-H673 PolarHBondContact O-N 2.83Å; I671-E674 WeakPolarHBondContact O-CB 3.23Å; I671-E674 PolarHBondContact O-N 2.8Å; I671-I675 HydrophobicContact CG2-CD1 3.86Å; I671-I675 HydrophobicContact CG2-CG1 4.42Å; I671-I675 VanDerWaalsContact O-CG1 3.29Å; I671-I675 WeakPolarHBondContact O-CG1 3.02Å; I671-I675 PolarHBondContact O-N 3.12Å
672	A	92	Very high	90	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.1	-38.7	175.5	0	0	0	0	0	112.1	M596 Y668 G669 I675 V676 I726	M596-A672 HydrophobicContact CE-CB 3.53Å; M596-A672 HydrophobicContact CG-CB 4.47Å; M596-A672 HydrophobicContact SD-CB 3.98Å; Y668-A672 WeakPolarHBondContact O-CB 3.19Å; Y668-A672 PolarHBondContact O-N 2.62Å; G669-A672 PolarHBondContact O-N 3.3Å; A672-I675 PolarHBondContact O-N 3.07Å; A672-V676 WeakPolarHBondContact O-CB 3.29Å; A672-V676 WeakPolarHBondContact O-CG2 3.09Å; A672-V676 PolarHBondContact O-N 2.69Å; A672-I726 HydrophobicContact CB-CD1 3.83Å; A672-I726 HydrophobicContact CB-CG1 3.7Å; A672-I726 HydrophobicContact CB-CG2 4.4Å
673	H	91.5	Very high	89.5	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-43.4	172.5	178.2	-106.5	0	0	0	112.8	G669 I670 I671 V676 L677 P708 D709 W730	G669-H673 PolarHBondContact O-N 2.87Å; G669-H673 VanDerWaalsContact O-N 3.12Å; I670-H673 WeakPolarHBondContact O-CB 3.48Å; I670-H673 PolarHBondContact O-N 2.88Å; I671-H673 VanDerWaalsContact C-N 3.3Å; I671-H673 PolarHBondContact O-N 2.83Å; H673-V676 PolarHBondContact O-N 2.83Å; H673-L677 VanDerWaalsContact NE2-CD1 3.27Å; H673-L677 WeakPolarHBondContact NE2-CD1 3.4Å; H673-L677 PolarHBondContact O-N 3.07Å; H673-P708 WeakPolarHBondContact CE1-CB 3.46Å; H673-D709 PolarHBondContact NE2-O 3.01Å; H673-W730 HydrophobicContact CB-CH2 4.06Å; H673-W730 HydrophobicContact CB-CZ3 3.71Å; H673-W730 AromaticContact CD2-CH2 3.84Å
674	E	91.3	Very high	89.2	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-59.8	-43.1	172.2	-73.1	175	-103.3	0	0	112.4	R572 L575 S619 W648 I670 I671 R678 P681	R572-E674 VanDerWaalsContact CD-OE2 3.28Å; R572-E674 WeakPolarHBondContact CD-OE2 3.11Å; R572-E674 IonicContact NE-OE2 3.06Å; L575-E674 HydrophobicContact CD1-CB 4.09Å; S619-E674 VanDerWaalsContact CB-OE2 3.29Å; S619-E674 WeakPolarHBondContact CB-OE2 3.43Å; S619-E674 VanDerWaalsContact OG-CD 3.3Å; S619-E674 PolarHBondContact OG-OE1 2.8Å; S619-E674 PolarHBondContact OG-OE2 2.87Å; W648-E674 WeakPolarHBondContact CZ2-OE1 3.34Å; W648-E674 PolarHBondContact NE1-OE1 3.06Å; I670-E674 PolarHBondContact O-N 3.45Å; I671-E674 WeakPolarHBondContact O-CB 3.23Å; I671-E674 PolarHBondContact O-N 2.8Å; E674-R678 WeakPolarHBondContact O-CA 3.33Å; E674-R678 PolarHBondContact O-N 2.81Å; E674-P681 HydrophobicContact CG-CB 4.43Å
675	I	89.8	Confident	88.4	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-45.9	179	-67.9	160.9	0	0	0	111	L571 L575 K592 V595 M596 I599 I671 A672	L571-I675 HydrophobicContact CD2-CD1 3.93Å; L571-I675 HydrophobicContact CD2-CG1 4Å; L575-I675 HydrophobicContact CD1-CG1 4.18Å; K592-I675 HydrophobicContact CB-CG2 3.76Å; K592-I675 VanDerWaalsContact CE-O 3.29Å; K592-I675 WeakPolarHBondContact CE-O 3.18Å; K592-I675 HydrophobicContact CG-CG2 3.78Å; V595-I675 HydrophobicContact CG1-CD1 3.75Å; V595-I675 HydrophobicContact CG1-CG1 4.23Å; M596-I675 HydrophobicContact CG-CB 4.48Å; M596-I675 HydrophobicContact CG-CD1 3.64Å; M596-I675 HydrophobicContact CG-CG2 4.22Å; M596-I675 HydrophobicContact SD-CG2 4.46Å; I599-I675 HydrophobicContact CD1-CD1 4.22Å; I671-I675 HydrophobicContact CG2-CD1 3.86Å; I671-I675 HydrophobicContact CG2-CG1 4.42Å; I671-I675 VanDerWaalsContact O-CG1 3.29Å; I671-I675 WeakPolarHBondContact O-CG1 3.02Å; I671-I675 PolarHBondContact O-N 3.12Å; A672-I675 PolarHBondContact O-N 3.07Å
676	V	87.3	Confident	87.3	Confident	7 Å²	7	24.9 Å²	24.9	4%	0.042	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-51.5	-174.8	168.5	0	0	0	0	111.7	K592 M596 A672 H673 L722 Y723 I726	K592-V676 PolarHBondContact NZ-O 3.37Å; M596-V676 HydrophobicContact SD-CG2 4.2Å; A672-V676 WeakPolarHBondContact O-CB 3.29Å; A672-V676 WeakPolarHBondContact O-CG2 3.09Å; A672-V676 PolarHBondContact O-N 2.69Å; H673-V676 PolarHBondContact O-N 2.83Å; V676-L722 HydrophobicContact CG2-CD2 4.24Å; V676-Y723 HydrophobicContact CG1-CE1 4.48Å; V676-Y723 HydrophobicContact CG1-CE2 3.6Å; V676-Y723 WeakPolarHBondContact CG1-OH 3.42Å; V676-I726 HydrophobicContact CG2-CD1 3.83Å
677	L	84.8	Confident	86.3	Confident	38 Å²	38	25.1 Å²	25.1	20%	0.199	12%	0.123	C	C	.	.	H	α-helix	trans	-85.7	-18.2	-176.9	-62.3	-171.2	0	0	0	114.3	H673 Q679 Y683 D709	H673-L677 VanDerWaalsContact NE2-CD1 3.27Å; H673-L677 WeakPolarHBondContact NE2-CD1 3.4Å; H673-L677 PolarHBondContact O-N 3.07Å; L677-Q679 VanDerWaalsContact C-N 3.31Å; L677-Q679 HydrophobicContact CB-CB 4.46Å; L677-Q679 HydrophobicContact CB-CG 4.1Å; L677-Q679 PolarHBondContact O-N 3.19Å; L677-Y683 HydrophobicContact CD1-CD1 4.48Å; L677-D709 WeakPolarHBondContact CD1-O 3.35Å
678	R	84.9	Confident	85.3	Confident	8 Å²	8	31.6 Å²	31.6	3%	0.03	15%	0.151	C	C	.	.			trans	53.5	45.4	-176	-155.9	-178.6	-174.9	176.7	6.4	113.4	I574 L575 D577 R578 Y581 D583 E674	I574-R678 PolarHBondContact O-NH2 2.66Å; L575-R678 HydrophobicContact CB-CG 4.45Å; L575-R678 HydrophobicContact CD2-CG 4.31Å; L575-R678 WeakPolarHBondContact O-CG 3.45Å; L575-R678 PolarHBondContact O-NE 3.28Å; D577-R678 VanDerWaalsContact C-NH2 3.33Å; D577-R678 PolarHBondContact O-NH2 2.78Å; R578-R678 PolarHBondContact NH2-O 3.1Å; Y581-R678 VanDerWaalsContact O-CZ 3.24Å; Y581-R678 PolarHBondContact O-NH1 3.49Å; Y581-R678 PolarHBondContact O-NH2 3.09Å; D583-R678 WeakPolarHBondContact OD1-CD 3.23Å; D583-R678 IonicContact OD1-CZ 3.45Å; D583-R678 IonicContact OD1-NE 3.23Å; D583-R678 IonicContact OD1-NH1 3.61Å; D583-R678 PolarHBondContact OD1-NH1 2.95Å; D583-R678 IonicContact OD2-NH1 2.77Å; E674-R678 WeakPolarHBondContact O-CA 3.33Å; E674-R678 PolarHBondContact O-N 2.81Å
679	Q	83.5	Confident	84.7	Confident	71 Å²	71	36 Å²	36	33%	0.332	18%	0.175	S	C	.	.			trans	-115	-176.2	179.5	-67.9	-59.2	-26.1	0	0	111.6	L677 Y683	L677-Q679 VanDerWaalsContact C-N 3.31Å; L677-Q679 HydrophobicContact CB-CB 4.46Å; L677-Q679 HydrophobicContact CB-CG 4.1Å; L677-Q679 PolarHBondContact O-N 3.19Å; Q679-Y683 HydrophobicContact CB-CD1 4.46Å; Q679-Y683 HydrophobicContact CB-CD2 4.01Å; Q679-Y683 HydrophobicContact CB-CG 3.82Å; Q679-Y683 HydrophobicContact CG-CD1 4.29Å; Q679-Y683 HydrophobicContact CG-CD2 4.23Å; Q679-Y683 HydrophobicContact CG-CG 4.08Å
680	M	81.6	Confident	84.1	Confident	79 Å²	79	39.4 Å²	39.4	39%	0.389	20%	0.195	S	C	.	.	S	Bend	trans	-62.1	155	169.5	65.8	-175.8	68.2	0	0	112.2	F682 Y683	M680-F682 PolarHBondContact O-N 2.88Å; M680-Y683 HydrophobicContact CG-CD2 4Å; M680-Y683 WeakPolarHBondContact O-CB 3.16Å; M680-Y683 PolarHBondContact O-N 3.27Å; M680-Y683 HydrophobicContact SD-CD2 4.4Å
681	P	83.4	Confident	83.6	Confident	20 Å²	20	42.4 Å²	42.4	13%	0.13	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	138.2	174.6	-23	32.4	0	0	0	112.2	L647 W648 E674 Y683	L647-P681 HydrophobicContact CD1-CB 4.46Å; W648-P681 HydrophobicContact CH2-CB 3.73Å; W648-P681 HydrophobicContact CH2-CG 3.46Å; W648-P681 VanDerWaalsContact CH2-CG 3.46Å; W648-P681 HydrophobicContact CZ2-CB 3.5Å; W648-P681 HydrophobicContact CZ2-CG 3.37Å; W648-P681 HydrophobicContact CZ3-CB 4.43Å; E674-P681 HydrophobicContact CG-CB 4.43Å; P681-Y683 PolarHBondContact O-N 3.27Å
682	F	84.1	Confident	83.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	55	-175.7	-151.6	-69.5	0	0	0	111.2	L647 I670 M680 T684 K693 V697 F706 P708	L647-F682 HydrophobicContact CB-CB 4.06Å; L647-F682 HydrophobicContact CD1-CB 4.06Å; L647-F682 HydrophobicContact CD2-CB 4.27Å; L647-F682 HydrophobicContact CD2-CG 4.45Å; L647-F682 HydrophobicContact CG-CB 4.36Å; I670-F682 HydrophobicContact CD1-CD2 3.8Å; I670-F682 HydrophobicContact CD1-CE2 4.12Å; M680-F682 PolarHBondContact O-N 2.88Å; F682-T684 HydrophobicContact CD1-CG2 3.94Å; F682-T684 HydrophobicContact CE1-CG2 3.96Å; F682-T684 PolarHBondContact O-N 2.77Å; F682-K693 HydrophobicContact CD1-CD 4.14Å; F682-K693 PolarHBondContact O-NZ 2.95Å; F682-V697 HydrophobicContact CE1-CG2 4.46Å; F682-V697 HydrophobicContact CE2-CG2 3.61Å; F682-V697 HydrophobicContact CZ-CG2 3.49Å; F682-V697 VanDerWaalsContact CZ-CG2 3.49Å; F682-F706 HydrophobicContact CD1-CE1 4.34Å; F682-F706 AromaticContact CE1-CD1 3.85Å; F682-F706 HydrophobicContact CE1-CD1 3.85Å; F682-F706 AromaticContact CE1-CE1 3.47Å; F682-F706 HydrophobicContact CE1-CE1 3.47Å; F682-F706 VanDerWaalsContact CE1-CE1 3.47Å; F682-F706 AromaticContact CE1-CZ 3.98Å; F682-F706 HydrophobicContact CE1-CZ 3.98Å; F682-F706 AromaticContact CZ-CD1 3.97Å; F682-F706 HydrophobicContact CZ-CD1 3.97Å; F682-F706 HydrophobicContact CZ-CE1 4.06Å; F682-P708 HydrophobicContact CD1-CB 4.41Å; F682-P708 HydrophobicContact CD1-CG 4.05Å; F682-P708 HydrophobicContact CD2-CG 3.8Å; F682-P708 HydrophobicContact CE1-CG 4.18Å; F682-P708 HydrophobicContact CE2-CG 3.94Å; F682-P708 HydrophobicContact CG-CG 3.86Å; F682-P708 HydrophobicContact CZ-CG 4.13Å
683	Y	84.2	Confident	82.9	Confident	46 Å²	46	46.4 Å²	46.4	18%	0.18	24%	0.239	C	C	.	.			trans	-67.1	130.2	178.3	176.9	-97.9	0	0	0	111.3	L677 Q679 M680 P681 R685 D709 Y711	L677-Y683 HydrophobicContact CD1-CD1 4.48Å; Q679-Y683 HydrophobicContact CB-CD1 4.46Å; Q679-Y683 HydrophobicContact CB-CD2 4.01Å; Q679-Y683 HydrophobicContact CB-CG 3.82Å; Q679-Y683 HydrophobicContact CG-CD1 4.29Å; Q679-Y683 HydrophobicContact CG-CD2 4.23Å; Q679-Y683 HydrophobicContact CG-CG 4.08Å; M680-Y683 HydrophobicContact CG-CD2 4Å; M680-Y683 WeakPolarHBondContact O-CB 3.16Å; M680-Y683 PolarHBondContact O-N 3.27Å; M680-Y683 HydrophobicContact SD-CD2 4.4Å; P681-Y683 PolarHBondContact O-N 3.27Å; Y683-R685 HydrophobicContact CE1-CG 4.28Å; Y683-D709 PolarHBondContact O-N 3.49Å; Y683-Y711 HydrophobicContact CE1-CE2 4.49Å
684	T	83.1	Confident	82.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.248	C	C	.	.			trans	-149.1	130.7	178.6	51.1	0	0	0	0	108.8	F682 S686 C687 K693 F706 D709	F682-T684 HydrophobicContact CD1-CG2 3.94Å; F682-T684 HydrophobicContact CE1-CG2 3.96Å; F682-T684 PolarHBondContact O-N 2.77Å; T684-S686 PolarHBondContact O-N 3.34Å; T684-C687 PolarHBondContact OG1-O 2.89Å; T684-K693 WeakPolarHBondContact OG1-CE 3.45Å; T684-F706 HydrophobicContact CG2-CE2 4.28Å; T684-F706 HydrophobicContact CG2-CZ 3.98Å; T684-D709 WeakPolarHBondContact CA-OD1 3.44Å
685	R	76.3	Confident	82.3	Confident	158 Å²	158	52.1 Å²	52.1	60%	0.596	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.8	178.1	-71.3	177	-172.6	174.9	8.7	113.9	Y683 D709 Y711	Y683-R685 HydrophobicContact CE1-CG 4.28Å; R685-D709 PolarHBondContact N-OD2 3.47Å; R685-Y711 WeakPolarHBondContact CD-OH 3.24Å; R685-Y711 WeakPolarHBondContact CG-OH 3.38Å; R685-Y711 PolarHBondContact NE-OH 3.08Å
686	S	71.9	Confident	82.1	Confident	83 Å²	83	56 Å²	56	58%	0.58	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.6	-171.4	59.6	0	0	0	0	115.2	T684	T684-S686 PolarHBondContact O-N 3.34Å
687	C	73.3	Confident	82.1	Confident	4 Å²	4	56 Å²	56	3%	0.027	28%	0.281	C	S	.	.			trans	-155.2	132.2	-177.4	178.5	0	0	0	0	111.5	T684 E692 K693 F706	T684-C687 PolarHBondContact OG1-O 2.89Å; C687-E692 PolarHBondContact SG-OE2 3.27Å; C687-K693 HydrophobicContact CB-CG 4.44Å; C687-K693 WeakPolarHBondContact O-CE 3.34Å; C687-K693 PolarHBondContact O-NZ 3.14Å; C687-F706 HydrophobicContact CB-CZ 4.35Å
688	F	73.3	Confident	82.2	Confident	144 Å²	144	55.7 Å²	55.7	63%	0.632	28%	0.278	S	S	*	.			trans	-111.7	-20	179.5	-63.3	-82.4	0	0	0	113.7	T690	F688-T690 PolarHBondContact O-N 3.13Å
689	N	82.2	Confident	82.2	Confident	96 Å²	96	61.1 Å²	61.1	51%	0.513	30%	0.3	S	S	.	.			trans	-83.6	116.8	-174.9	-176.8	-16.3	0	0	0	111.7	A691 E692 K693	N689-A691 VanDerWaalsContact C-N 3.3Å; N689-A691 PolarHBondContact O-N 3.34Å; N689-A691 PolarHBondContact OD1-N 2.79Å; N689-E692 HydrophobicContact CB-CB 4.03Å; N689-E692 PolarHBondContact O-N 2.91Å; N689-E692 VanDerWaalsContact O-N 3.12Å; N689-K693 WeakPolarHBondContact O-CG 3.36Å; N689-K693 PolarHBondContact O-N 3.24Å
690	T	81.3	Confident	82	Confident	70 Å²	70	60.2 Å²	60.2	43%	0.429	30%	0.3	S	S	.	.	H	α-helix	trans	-52.2	-42.4	177.9	-54.9	0	0	0	0	113.4	L647 F688 K693 L694	L647-T690 HydrophobicContact CD1-CG2 4.06Å; L647-T690 HydrophobicContact CD2-CG2 4.27Å; L647-T690 HydrophobicContact CG-CG2 4.08Å; F688-T690 PolarHBondContact O-N 3.13Å; T690-K693 PolarHBondContact O-N 3.05Å; T690-L694 HydrophobicContact CG2-CD1 4.17Å; T690-L694 VanDerWaalsContact O-CG 3.31Å; T690-L694 WeakPolarHBondContact O-CG 3.24Å; T690-L694 PolarHBondContact O-N 2.84Å
691	A	82.7	Confident	81.4	Confident	64 Å²	64	66.4 Å²	66.4	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-69.1	-35.9	-179.3	0	0	0	0	0	112.3	N689 H695	N689-A691 VanDerWaalsContact C-N 3.3Å; N689-A691 PolarHBondContact O-N 3.34Å; N689-A691 PolarHBondContact OD1-N 2.79Å; A691-H695 WeakPolarHBondContact O-CB 3.18Å; A691-H695 PolarHBondContact O-N 3.02Å
692	E	84.6	Confident	80.6	Confident	79 Å²	79	68.9 Å²	68.9	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-43	174.1	-166.4	-148.3	136.2	0	0	110.9	C687 N689 H695 R696	C687-E692 PolarHBondContact SG-OE2 3.27Å; N689-E692 HydrophobicContact CB-CB 4.03Å; N689-E692 PolarHBondContact O-N 2.91Å; N689-E692 VanDerWaalsContact O-N 3.12Å; E692-H695 PolarHBondContact O-N 3.09Å; E692-R696 WeakPolarHBondContact O-CB 3.08Å; E692-R696 VanDerWaalsContact O-CG 3.31Å; E692-R696 WeakPolarHBondContact O-CG 3.36Å; E692-R696 PolarHBondContact O-N 3.35Å; E692-R696 WeakPolarHBondContact OE1-CD 3.49Å; E692-R696 IonicContact OE1-CZ 2.9Å; E692-R696 IonicContact OE1-NE 3.14Å; E692-R696 IonicContact OE1-NH1 3.26Å; E692-R696 PolarHBondContact OE1-NH1 2.04Å
693	K	85.6	Confident	79.5	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.017	40%	0.396	C	S	.	.	H	α-helix	trans	-57	-51.5	174.6	-68.6	-178.5	-178	-177.9	0	111.2	L647 F682 T684 C687 N689 T690 H695 R696 V697 F706	L647-K693 HydrophobicContact CD2-CB 3.64Å; L647-K693 HydrophobicContact CD2-CD 4.13Å; F682-K693 HydrophobicContact CD1-CD 4.14Å; F682-K693 PolarHBondContact O-NZ 2.95Å; T684-K693 WeakPolarHBondContact OG1-CE 3.45Å; C687-K693 HydrophobicContact CB-CG 4.44Å; C687-K693 WeakPolarHBondContact O-CE 3.34Å; C687-K693 PolarHBondContact O-NZ 3.14Å; N689-K693 WeakPolarHBondContact O-CG 3.36Å; N689-K693 PolarHBondContact O-N 3.24Å; T690-K693 PolarHBondContact O-N 3.05Å; K693-H695 PolarHBondContact O-N 2.88Å; K693-R696 PolarHBondContact O-N 2.74Å; K693-R696 VanDerWaalsContact O-N 3.1Å; K693-V697 WeakPolarHBondContact O-CG2 3.47Å; K693-V697 PolarHBondContact O-N 2.75Å; K693-F706 HydrophobicContact CB-CE1 4.11Å; K693-F706 HydrophobicContact CG-CE1 4.06Å; K693-F706 HydrophobicContact CG-CZ 4.44Å
694	L	85.1	Confident	78.9	Confident	37 Å²	37	77.7 Å²	77.7	19%	0.194	41%	0.408	C	S	.	.	H	α-helix	trans	-55.6	-49.8	177.8	-73.7	170.5	0	0	0	111.8	D646 L647 L654 T690 R696 V697 Q698	D646-L694 VanDerWaalsContact C-CD2 3.44Å; D646-L694 WeakPolarHBondContact O-CD2 3.47Å; L647-L694 HydrophobicContact CD2-CD2 4.1Å; L647-L694 HydrophobicContact CD2-CG 4.07Å; L654-L694 HydrophobicContact CD1-CD2 4.34Å; L654-L694 HydrophobicContact CD2-CD2 4.39Å; T690-L694 HydrophobicContact CG2-CD1 4.17Å; T690-L694 VanDerWaalsContact O-CG 3.31Å; T690-L694 WeakPolarHBondContact O-CG 3.24Å; T690-L694 PolarHBondContact O-N 2.84Å; L694-R696 VanDerWaalsContact C-N 3.29Å; L694-R696 PolarHBondContact O-N 3.47Å; L694-V697 PolarHBondContact O-N 3.24Å; L694-Q698 VanDerWaalsContact O-CB 3.31Å; L694-Q698 WeakPolarHBondContact O-CB 3.42Å; L694-Q698 PolarHBondContact O-N 3.35Å
695	H	85.1	Confident	78.9	Confident	85 Å²	85	83.4 Å²	83.4	39%	0.394	43%	0.433	S	S	.	.	H	α-helix	trans	-59.1	-39.1	176.7	-177.8	-56.2	0	0	0	112.1	A691 E692 K693 Y699	A691-H695 WeakPolarHBondContact O-CB 3.18Å; A691-H695 PolarHBondContact O-N 3.02Å; E692-H695 PolarHBondContact O-N 3.09Å; K693-H695 PolarHBondContact O-N 2.88Å; H695-Y699 AromaticContact CE1-CD2 3.89Å; H695-Y699 PolarHBondContact O-N 2.82Å
696	R	86.3	Confident	79.4	Confident	83 Å²	83	77 Å²	77	31%	0.313	41%	0.41	S	S	.	.	H	α-helix	trans	-75.3	-26.3	-179.1	-72.5	173.6	63.4	171.3	-1	113.9	E692 K693 L694 F706	E692-R696 WeakPolarHBondContact O-CB 3.08Å; E692-R696 VanDerWaalsContact O-CG 3.31Å; E692-R696 WeakPolarHBondContact O-CG 3.36Å; E692-R696 PolarHBondContact O-N 3.35Å; E692-R696 WeakPolarHBondContact OE1-CD 3.49Å; E692-R696 IonicContact OE1-CZ 2.9Å; E692-R696 IonicContact OE1-NE 3.14Å; E692-R696 IonicContact OE1-NH1 3.26Å; E692-R696 PolarHBondContact OE1-NH1 2.04Å; K693-R696 PolarHBondContact O-N 2.74Å; K693-R696 VanDerWaalsContact O-N 3.1Å; L694-R696 VanDerWaalsContact C-N 3.29Å; L694-R696 PolarHBondContact O-N 3.47Å; R696-F706 HydrophobicContact CB-CB 4.11Å; R696-F706 HydrophobicContact CB-CD1 3.52Å; R696-F706 HydrophobicContact CB-CE1 4.11Å; R696-F706 HydrophobicContact CB-CG 3.89Å
697	V	86.3	Confident	80.2	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.03	39%	0.388	C	S	.	.	H	α-helix	trans	-74.3	-46.1	169	177.2	0	0	0	0	110.3	P651 L654 R655 F682 K693 L694 F706	P651-V697 HydrophobicContact CB-CG1 4.09Å; P651-V697 HydrophobicContact CG-CG1 3.79Å; L654-V697 HydrophobicContact CD1-CB 4.26Å; L654-V697 HydrophobicContact CD1-CG1 3.9Å; R655-V697 PolarHBondContact NH2-O 2.95Å; R655-V697 VanDerWaalsContact NH2-O 3.14Å; F682-V697 HydrophobicContact CE1-CG2 4.46Å; F682-V697 HydrophobicContact CE2-CG2 3.61Å; F682-V697 HydrophobicContact CZ-CG2 3.49Å; F682-V697 VanDerWaalsContact CZ-CG2 3.49Å; K693-V697 WeakPolarHBondContact O-CG2 3.47Å; K693-V697 PolarHBondContact O-N 2.75Å; L694-V697 PolarHBondContact O-N 3.24Å; V697-F706 HydrophobicContact CG2-CD1 3.97Å
698	Q	86.6	Confident	80.8	Confident	32 Å²	32	75 Å²	75	15%	0.15	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-43.4	179.3	-168.5	-177.2	23.3	0	0	111.9	L654 R655 L694	L654-Q698 HydrophobicContact CB-CB 4.14Å; L654-Q698 HydrophobicContact CB-CG 3.98Å; L654-Q698 PolarHBondContact O-NE2 3.18Å; R655-Q698 HydrophobicContact CG-CG 4.21Å; R655-Q698 PolarHBondContact NE-O 3.17Å; R655-Q698 PolarHBondContact NH2-O 3.38Å; L694-Q698 VanDerWaalsContact O-CB 3.31Å; L694-Q698 WeakPolarHBondContact O-CB 3.42Å; L694-Q698 PolarHBondContact O-N 3.35Å
699	Y	85.3	Confident	81.4	Confident	123 Å²	123	69.9 Å²	69.9	48%	0.482	37%	0.369	S	S	.	.	S	Bend	trans	-126.1	90.2	-177.4	-57.1	-67.3	0	0	0	111.2	H695	H695-Y699 AromaticContact CE1-CD2 3.89Å; H695-Y699 PolarHBondContact O-N 2.82Å
700	P	79.8	Confident	81.3	Confident	51 Å²	51	66.6 Å²	66.6	33%	0.331	35%	0.352	S	S	.	.			trans	-63.8	147.8	176.8	26.6	-34.3	0	0	0	111.4	F705	P700-F705 HydrophobicContact CB-CD1 4Å; P700-F705 HydrophobicContact CG-CD1 4.15Å; P700-F705 HydrophobicContact CG-CE1 4.41Å
701	R	68.4	Low	81.1	Confident	210 Å²	210	66.4 Å²	66.4	79%	0.792	34%	0.343	S	S	*	.			trans	-124.4	119.1	178.8	-70.1	-176.1	174.9	-179.2	-0.6	109.9
702	G	66.9	Low	80.5	Confident	72 Å²	72	66.9 Å²	66.9	74%	0.742	33%	0.334	S	S	*	.	S	Bend	trans	80.8	-166.9	-177.9	0	0	0	0	0	113.7	G704	G702-G704 PolarHBondContact O-N 3.18Å
703	N	61.8	Low	79.1	Confident	187 Å²	187	71.8 Å²	71.8	100%	1	36%	0.357	S	S	*	.	S	Bend	trans	-73	16.3	-172.2	-97.2	20.6	0	0	0	115.7
704	G	71.2	Confident	77.8	Confident	43 Å²	43	75.9 Å²	75.9	44%	0.443	40%	0.401	S	S	.	.	S	Bend	trans	-143.5	136.5	-174.2	0	0	0	0	0	113.4	G702	G702-G704 PolarHBondContact O-N 3.18Å
705	F	84.2	Confident	76.7	Confident	122 Å²	122	75.9 Å²	75.9	54%	0.535	40%	0.4	S	S	.	.			trans	-84.3	132.7	175.8	-51.2	-65.4	0	0	0	110.4	P700 R707 E732	P700-F705 HydrophobicContact CB-CD1 4Å; P700-F705 HydrophobicContact CG-CD1 4.15Å; P700-F705 HydrophobicContact CG-CE1 4.41Å; F705-R707 PolarHBondContact O-N 2.79Å; F705-E732 HydrophobicContact CD1-CB 4.23Å; F705-E732 HydrophobicContact CD1-CG 3.65Å; F705-E732 HydrophobicContact CD2-CB 3.81Å; F705-E732 HydrophobicContact CD2-CG 4.13Å; F705-E732 HydrophobicContact CE1-CB 4.36Å; F705-E732 HydrophobicContact CE1-CG 3.65Å; F705-E732 HydrophobicContact CE2-CB 3.93Å; F705-E732 HydrophobicContact CE2-CG 4.12Å; F705-E732 HydrophobicContact CG-CB 3.97Å; F705-E732 HydrophobicContact CG-CG 3.91Å; F705-E732 HydrophobicContact CZ-CB 4.21Å; F705-E732 HydrophobicContact CZ-CG 3.89Å
706	F	86.6	Confident	75.8	Confident	23 Å²	23	74.4 Å²	74.4	10%	0.101	40%	0.4	C	S	.	.			trans	-73	129.5	179	-171.8	-120.1	0	0	0	110.3	F682 T684 C687 K693 R696 V697	F682-F706 HydrophobicContact CD1-CE1 4.34Å; F682-F706 AromaticContact CE1-CD1 3.85Å; F682-F706 HydrophobicContact CE1-CD1 3.85Å; F682-F706 AromaticContact CE1-CE1 3.47Å; F682-F706 HydrophobicContact CE1-CE1 3.47Å; F682-F706 VanDerWaalsContact CE1-CE1 3.47Å; F682-F706 AromaticContact CE1-CZ 3.98Å; F682-F706 HydrophobicContact CE1-CZ 3.98Å; F682-F706 AromaticContact CZ-CD1 3.97Å; F682-F706 HydrophobicContact CZ-CD1 3.97Å; F682-F706 HydrophobicContact CZ-CE1 4.06Å; T684-F706 HydrophobicContact CG2-CE2 4.28Å; T684-F706 HydrophobicContact CG2-CZ 3.98Å; C687-F706 HydrophobicContact CB-CZ 4.35Å; K693-F706 HydrophobicContact CB-CE1 4.11Å; K693-F706 HydrophobicContact CG-CE1 4.06Å; K693-F706 HydrophobicContact CG-CZ 4.44Å; R696-F706 HydrophobicContact CB-CB 4.11Å; R696-F706 HydrophobicContact CB-CD1 3.52Å; R696-F706 HydrophobicContact CB-CE1 4.11Å; R696-F706 HydrophobicContact CB-CG 3.89Å; V697-F706 HydrophobicContact CG2-CD1 3.97Å
707	R	87.7	Confident	74.9	Confident	35 Å²	35	77.4 Å²	77.4	13%	0.132	42%	0.422	C	S	.	.			trans	-148.8	164.6	-174.7	-71.6	-57.4	-173.6	-80.5	-2.1	110.4	F705 W730 E732	F705-R707 PolarHBondContact O-N 2.79Å; R707-W730 VanDerWaalsContact CZ-O 3.28Å; R707-W730 PolarHBondContact NE-O 3.22Å; R707-W730 PolarHBondContact NH2-O 3.37Å; R707-E732 IonicContact CZ-OE2 3.13Å; R707-E732 VanDerWaalsContact CZ-OE2 3.26Å; R707-E732 IonicContact NH1-OE2 2.74Å; R707-E732 PolarHBondContact NH1-OE2 3.12Å; R707-E732 VanDerWaalsContact NH2-CA 3.3Å; R707-E732 IonicContact NH2-OE2 2.71Å; R707-E732 PolarHBondContact NH2-OE2 3.49Å
708	P	86.7	Confident	73.9	Confident	9 Å²	9	80.9 Å²	80.9	6%	0.058	44%	0.436	C	S	.	.			trans	-65.9	154.4	177.3	-17.2	31	0	0	0	113	I670 H673 F682 L710 W730	I670-P708 HydrophobicContact CD1-CG 3.6Å; H673-P708 WeakPolarHBondContact CE1-CB 3.46Å; F682-P708 HydrophobicContact CD1-CB 4.41Å; F682-P708 HydrophobicContact CD1-CG 4.05Å; F682-P708 HydrophobicContact CD2-CG 3.8Å; F682-P708 HydrophobicContact CE1-CG 4.18Å; F682-P708 HydrophobicContact CE2-CG 3.94Å; F682-P708 HydrophobicContact CG-CG 3.86Å; F682-P708 HydrophobicContact CZ-CG 4.13Å; P708-L710 PolarHBondContact O-N 3.03Å; P708-W730 HydrophobicContact CB-CH2 3.88Å; P708-W730 HydrophobicContact CB-CZ3 4.17Å; P708-W730 HydrophobicContact CG-CE3 4.22Å; P708-W730 HydrophobicContact CG-CH2 3.81Å; P708-W730 HydrophobicContact CG-CZ2 4.48Å; P708-W730 HydrophobicContact CG-CZ3 3.66Å
709	D	84.4	Confident	73.2	Confident	37 Å²	37	81.6 Å²	81.6	20%	0.198	44%	0.44	C	S	.	.			trans	-71.5	116	179.3	-69.9	7.3	0	0	0	110.4	H673 L677 Y683 T684 R685 Y711	H673-D709 PolarHBondContact NE2-O 3.01Å; L677-D709 WeakPolarHBondContact CD1-O 3.35Å; Y683-D709 PolarHBondContact O-N 3.49Å; T684-D709 WeakPolarHBondContact CA-OD1 3.44Å; R685-D709 PolarHBondContact N-OD2 3.47Å; D709-Y711 HydrophobicContact CB-CE1 4.08Å; D709-Y711 HydrophobicContact CB-CE2 4.23Å; D709-Y711 VanDerWaalsContact CB-OH 3.28Å; D709-Y711 WeakPolarHBondContact CB-OH 3.47Å; D709-Y711 PolarHBondContact OD2-OH 3.36Å
710	L	81.5	Confident	72.9	Confident	28 Å²	28	78.3 Å²	78.3	15%	0.147	43%	0.43	C	S	.	.			trans	-108.6	118.6	163.2	-77.3	175.3	0	0	0	109.2	P708 F712 Y723 I726 K727 W730	P708-L710 PolarHBondContact O-N 3.03Å; L710-F712 HydrophobicContact CB-CE2 3.87Å; L710-F712 HydrophobicContact CB-CZ 4.4Å; L710-Y723 HydrophobicContact CB-CD1 4.36Å; L710-Y723 HydrophobicContact CD2-CD1 3.73Å; L710-Y723 HydrophobicContact CD2-CE1 3.84Å; L710-Y723 HydrophobicContact CG-CD1 4.46Å; L710-I726 HydrophobicContact CD1-CG2 4.21Å; L710-K727 HydrophobicContact CD1-CB 4.35Å; L710-W730 HydrophobicContact CD1-CH2 3.85Å; L710-W730 HydrophobicContact CD1-CZ2 3.52Å; L710-W730 HydrophobicContact CD2-CH2 4.5Å; L710-W730 HydrophobicContact CG-CH2 3.9Å; L710-W730 HydrophobicContact CG-CZ2 3.89Å
711	Y	76.3	Confident	73.1	Confident	65 Å²	65	79.7 Å²	79.7	26%	0.255	43%	0.432	S	S	.	.			trans	-87.3	140.4	172.3	-47.4	-68.8	0	0	0	109.1	Y683 R685 D709 I715 Y723	Y683-Y711 HydrophobicContact CE1-CE2 4.49Å; R685-Y711 WeakPolarHBondContact CD-OH 3.24Å; R685-Y711 WeakPolarHBondContact CG-OH 3.38Å; R685-Y711 PolarHBondContact NE-OH 3.08Å; D709-Y711 HydrophobicContact CB-CE1 4.08Å; D709-Y711 HydrophobicContact CB-CE2 4.23Å; D709-Y711 VanDerWaalsContact CB-OH 3.28Å; D709-Y711 WeakPolarHBondContact CB-OH 3.47Å; D709-Y711 PolarHBondContact OD2-OH 3.36Å; Y711-I715 WeakPolarHBondContact O-CD1 3.24Å; Y711-Y723 VanDerWaalsContact O-CE1 3.23Å; Y711-Y723 WeakPolarHBondContact O-CE1 3.45Å
712	F	70.2	Confident	73.9	Confident	74 Å²	74	69.8 Å²	69.8	33%	0.325	40%	0.395	S	S	.	.			trans	-116.7	-2.5	177.9	-70.6	-95	0	0	0	112.6	L710 Y723 M724	L710-F712 HydrophobicContact CB-CE2 3.87Å; L710-F712 HydrophobicContact CB-CZ 4.4Å; F712-Y723 HydrophobicContact CE1-CD1 4.33Å; F712-Y723 HydrophobicContact CE1-CG 4.42Å; F712-Y723 HydrophobicContact CZ-CD1 4.48Å; F712-M724 HydrophobicContact CD1-CE 4.45Å; F712-M724 HydrophobicContact CE1-CE 3.84Å; F712-M724 HydrophobicContact CE1-SD 4.29Å; F712-M724 HydrophobicContact CZ-CE 4.39Å
713	E	55	Low	74.9	Confident	182 Å²	182	67.3 Å²	67.3	85%	0.85	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	131	179.5	-63.7	175.7	127.5	0	0	110.5
714	G	57.7	Low	76.1	Confident	91 Å²	91	62.8 Å²	62.8	94%	0.938	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	10.4	178.5	0	0	0	0	0	115.8
715	I	63	Low	77	Confident	36 Å²	36	61.4 Å²	61.4	19%	0.185	32%	0.319	C	S	.	.			trans	-96.9	143.8	-176.3	-62.2	-166	0	0	0	111	Y711 E719 I720 Y723	Y711-I715 WeakPolarHBondContact O-CD1 3.24Å; I715-E719 HydrophobicContact CG2-CB 3.39Å; I715-E719 HydrophobicContact CG2-CG 4.43Å; I715-I720 HydrophobicContact CG2-CG1 4.16Å; I715-Y723 HydrophobicContact CD1-CD1 3.95Å; I715-Y723 HydrophobicContact CD1-CD2 4.5Å; I715-Y723 HydrophobicContact CD1-CE1 3.36Å; I715-Y723 HydrophobicContact CD1-CE2 3.96Å
716	S	65.8	Low	77.3	Confident	55 Å²	55	55.6 Å²	55.6	39%	0.385	29%	0.294	S	S	.	.			trans	-77.8	154.2	179.2	71.8	0	0	0	0	113	K718 E719 I720	S716-K718 PolarHBondContact O-N 2.82Å; S716-E719 WeakPolarHBondContact CB-OE2 3.36Å; S716-E719 PolarHBondContact N-OE2 2.98Å; S716-E719 PolarHBondContact O-N 3.36Å; S716-E719 WeakPolarHBondContact OG-CG 3.32Å; S716-E719 PolarHBondContact OG-OE2 2.63Å; S716-I720 PolarHBondContact O-N 2.93Å; S716-I720 VanDerWaalsContact O-N 3.14Å
717	D	67.6	Low	77.5	Confident	146 Å²	146	59.8 Å²	59.8	78%	0.781	31%	0.312	S	S	*	.	H	α-helix	trans	-54.2	-32.9	-178.4	-63.2	-47.7	0	0	0	113.6
718	K	64.9	Low	77.7	Confident	77 Å²	77	60.1 Å²	60.1	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-69.2	-31.3	177.3	-60.2	-167.5	-177.9	-168.4	0	112.9	S716 N753 L754	S716-K718 PolarHBondContact O-N 2.82Å; K718-N753 WeakPolarHBondContact CE-O 3.42Å; K718-N753 PolarHBondContact NZ-O 3.23Å; K718-L754 HydrophobicContact CB-CD2 4.12Å; K718-L754 HydrophobicContact CD-CD2 3.81Å; K718-L754 HydrophobicContact CD-CG 4.46Å; K718-L754 PolarHBondContact NZ-O 3.14Å
719	E	71.4	Confident	78	Confident	48 Å²	48	59.7 Å²	59.7	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-84.3	-25.4	179.7	-66.8	167.6	113.3	0	0	112.1	M589 I715 S716 E721 L722 Y723	M589-E719 HydrophobicContact CE-CG 4.17Å; I715-E719 HydrophobicContact CG2-CB 3.39Å; I715-E719 HydrophobicContact CG2-CG 4.43Å; S716-E719 WeakPolarHBondContact CB-OE2 3.36Å; S716-E719 PolarHBondContact N-OE2 2.98Å; S716-E719 PolarHBondContact O-N 3.36Å; S716-E719 WeakPolarHBondContact OG-CG 3.32Å; S716-E719 PolarHBondContact OG-OE2 2.63Å; E719-E721 VanDerWaalsContact C-N 3.25Å; E719-E721 PolarHBondContact O-N 2.93Å; E719-L722 WeakPolarHBondContact O-CB 3.45Å; E719-L722 PolarHBondContact O-N 3.25Å; E719-L722 VanDerWaalsContact O-N 3.09Å; E719-Y723 VanDerWaalsContact O-CD2 3.29Å; E719-Y723 WeakPolarHBondContact O-CD2 3.21Å; E719-Y723 PolarHBondContact O-N 3.2Å
720	I	80.9	Confident	78.3	Confident	54 Å²	54	58.6 Å²	58.6	28%	0.277	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-38.7	173.7	-65.7	175.2	0	0	0	110.8	I715 S716 L722 Y723 M724	I715-I720 HydrophobicContact CG2-CG1 4.16Å; S716-I720 PolarHBondContact O-N 2.93Å; S716-I720 VanDerWaalsContact O-N 3.14Å; I720-L722 VanDerWaalsContact C-N 3.32Å; I720-L722 PolarHBondContact O-N 3.12Å; I720-Y723 PolarHBondContact O-N 3.48Å; I720-M724 HydrophobicContact CG2-CE 4.19Å; I720-M724 HydrophobicContact CG2-CG 4.24Å; I720-M724 VanDerWaalsContact O-CG 3.28Å; I720-M724 WeakPolarHBondContact O-CG 3.47Å; I720-M724 PolarHBondContact O-N 2.99Å
721	E	82.1	Confident	78.8	Confident	80 Å²	80	59.8 Å²	59.8	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-41.9	175.6	-165.2	179.8	-177.2	0	0	111.7	E719 M724 L725 I750	E719-E721 VanDerWaalsContact C-N 3.25Å; E719-E721 PolarHBondContact O-N 2.93Å; E721-M724 PolarHBondContact O-N 2.7Å; E721-L725 PolarHBondContact O-N 3.34Å; E721-I750 HydrophobicContact CB-CD1 4.28Å; E721-I750 HydrophobicContact CB-CG1 4.26Å; E721-I750 HydrophobicContact CG-CD1 4.02Å; E721-I750 HydrophobicContact CG-CG1 3.98Å
722	L	85.6	Confident	79.4	Confident	1 Å²	1	58 Å²	58	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-44.3	176.1	-174.8	67.8	0	0	0	111.9	M589 I593 M596 V676 E719 I720 M724 L725 I726 L747 I750	M589-L722 HydrophobicContact CE-CD2 3.78Å; I593-L722 HydrophobicContact CD1-CD2 4.22Å; I593-L722 HydrophobicContact CG1-CD1 4.33Å; I593-L722 HydrophobicContact CG1-CD2 3.95Å; M596-L722 HydrophobicContact CE-CD1 3.7Å; M596-L722 HydrophobicContact SD-CD1 4.33Å; V676-L722 HydrophobicContact CG2-CD2 4.24Å; E719-L722 WeakPolarHBondContact O-CB 3.45Å; E719-L722 PolarHBondContact O-N 3.25Å; E719-L722 VanDerWaalsContact O-N 3.09Å; I720-L722 VanDerWaalsContact C-N 3.32Å; I720-L722 PolarHBondContact O-N 3.12Å; L722-M724 VanDerWaalsContact C-N 3.34Å; L722-M724 PolarHBondContact O-N 2.79Å; L722-L725 WeakPolarHBondContact O-CB 3.41Å; L722-L725 PolarHBondContact O-N 2.66Å; L722-I726 HydrophobicContact CG-CD1 4.44Å; L722-I726 WeakPolarHBondContact O-CG1 3.48Å; L722-I726 PolarHBondContact O-N 2.9Å; L722-L747 HydrophobicContact CD1-CD2 3.51Å; L722-I750 HydrophobicContact CB-CD1 4.21Å; L722-I750 HydrophobicContact CD1-CD1 4.2Å
723	Y	87.9	Confident	80.3	Confident	20 Å²	20	57.2 Å²	57.2	8%	0.078	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-35.6	179.3	-83.1	-125.6	0	0	0	111.8	V676 L710 Y711 F712 I715 E719 I720 K727	V676-Y723 HydrophobicContact CG1-CE1 4.48Å; V676-Y723 HydrophobicContact CG1-CE2 3.6Å; V676-Y723 WeakPolarHBondContact CG1-OH 3.42Å; L710-Y723 HydrophobicContact CB-CD1 4.36Å; L710-Y723 HydrophobicContact CD2-CD1 3.73Å; L710-Y723 HydrophobicContact CD2-CE1 3.84Å; L710-Y723 HydrophobicContact CG-CD1 4.46Å; Y711-Y723 VanDerWaalsContact O-CE1 3.23Å; Y711-Y723 WeakPolarHBondContact O-CE1 3.45Å; F712-Y723 HydrophobicContact CE1-CD1 4.33Å; F712-Y723 HydrophobicContact CE1-CG 4.42Å; F712-Y723 HydrophobicContact CZ-CD1 4.48Å; I715-Y723 HydrophobicContact CD1-CD1 3.95Å; I715-Y723 HydrophobicContact CD1-CD2 4.5Å; I715-Y723 HydrophobicContact CD1-CE1 3.36Å; I715-Y723 HydrophobicContact CD1-CE2 3.96Å; E719-Y723 VanDerWaalsContact O-CD2 3.29Å; E719-Y723 WeakPolarHBondContact O-CD2 3.21Å; E719-Y723 PolarHBondContact O-N 3.2Å; I720-Y723 PolarHBondContact O-N 3.48Å; Y723-K727 WeakPolarHBondContact O-CB 3.5Å; Y723-K727 PolarHBondContact O-N 3.16Å
724	M	87.9	Confident	82	Confident	93 Å²	93	50.2 Å²	50.2	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-37.6	172.8	-67.7	-61.6	177	0	0	112.1	F712 I720 E721 L722 K727 S728	F712-M724 HydrophobicContact CD1-CE 4.45Å; F712-M724 HydrophobicContact CE1-CE 3.84Å; F712-M724 HydrophobicContact CE1-SD 4.29Å; F712-M724 HydrophobicContact CZ-CE 4.39Å; I720-M724 HydrophobicContact CG2-CE 4.19Å; I720-M724 HydrophobicContact CG2-CG 4.24Å; I720-M724 VanDerWaalsContact O-CG 3.28Å; I720-M724 WeakPolarHBondContact O-CG 3.47Å; I720-M724 PolarHBondContact O-N 2.99Å; E721-M724 PolarHBondContact O-N 2.7Å; L722-M724 VanDerWaalsContact C-N 3.34Å; L722-M724 PolarHBondContact O-N 2.79Å; M724-K727 PolarHBondContact O-N 3.14Å; M724-K727 HydrophobicContact SD-CD 4.38Å; M724-S728 PolarHBondContact O-N 3.37Å
725	L	89.8	Confident	83.5	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-49.6	172.6	-180	64	0	0	0	111.2	E721 L722 K727 S728 C729 I743 T746 L747	E721-L725 PolarHBondContact O-N 3.34Å; L722-L725 WeakPolarHBondContact O-CB 3.41Å; L722-L725 PolarHBondContact O-N 2.66Å; L725-K727 VanDerWaalsContact C-N 3.31Å; L725-K727 PolarHBondContact O-N 3.28Å; L725-S728 PolarHBondContact O-N 2.9Å; L725-S728 VanDerWaalsContact O-N 3.11Å; L725-S728 PolarHBondContact O-OG 2.77Å; L725-C729 PolarHBondContact O-N 2.7Å; L725-C729 VanDerWaalsContact O-N 3.11Å; L725-C729 PolarHBondContact O-SG 2.95Å; L725-I743 HydrophobicContact CD1-CG1 4.4Å; L725-I743 HydrophobicContact CD2-CG2 4.45Å; L725-T746 HydrophobicContact CD1-CG2 4.21Å; L725-T746 HydrophobicContact CD2-CG2 3.9Å; L725-T746 HydrophobicContact CG-CG2 4.47Å; L725-L747 HydrophobicContact CD2-CD2 3.73Å; L725-L747 HydrophobicContact CD2-CG 3.8Å
726	I	91.1	Very high	84.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-56.5	-46.7	176.3	-65.6	172.9	0	0	0	110.7	M596 A672 V676 L710 L722 S728 C729 W730	M596-I726 HydrophobicContact CE-CD1 4.25Å; M596-I726 HydrophobicContact CE-CG1 4.2Å; A672-I726 HydrophobicContact CB-CD1 3.83Å; A672-I726 HydrophobicContact CB-CG1 3.7Å; A672-I726 HydrophobicContact CB-CG2 4.4Å; V676-I726 HydrophobicContact CG2-CD1 3.83Å; L710-I726 HydrophobicContact CD1-CG2 4.21Å; L722-I726 HydrophobicContact CG-CD1 4.44Å; L722-I726 WeakPolarHBondContact O-CG1 3.48Å; L722-I726 PolarHBondContact O-N 2.9Å; I726-S728 VanDerWaalsContact C-N 3.28Å; I726-S728 PolarHBondContact O-N 3.07Å; I726-C729 WeakPolarHBondContact O-CB 3.45Å; I726-C729 PolarHBondContact O-N 2.98Å; I726-C729 VanDerWaalsContact O-N 3.13Å; I726-W730 HydrophobicContact CG2-CE3 4.23Å; I726-W730 HydrophobicContact CG2-CH2 3.9Å; I726-W730 HydrophobicContact CG2-CZ2 4.41Å; I726-W730 HydrophobicContact CG2-CZ3 3.81Å
727	K	90.3	Very high	86.2	Confident	111 Å²	111	56.5 Å²	56.5	48%	0.483	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-34.6	177.9	-171.7	179.5	179.4	-178.1	0	113.1	L710 Y723 M724 L725	L710-K727 HydrophobicContact CD1-CB 4.35Å; Y723-K727 WeakPolarHBondContact O-CB 3.5Å; Y723-K727 PolarHBondContact O-N 3.16Å; M724-K727 PolarHBondContact O-N 3.14Å; M724-K727 HydrophobicContact SD-CD 4.38Å; L725-K727 VanDerWaalsContact C-N 3.31Å; L725-K727 PolarHBondContact O-N 3.28Å
728	S	91.8	Very high	87.4	Confident	41 Å²	41	50 Å²	50	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-73.5	-28.9	176.1	76.1	0	0	0	0	113.5	M724 L725 I726 W730 P738	M724-S728 PolarHBondContact O-N 3.37Å; L725-S728 PolarHBondContact O-N 2.9Å; L725-S728 VanDerWaalsContact O-N 3.11Å; L725-S728 PolarHBondContact O-OG 2.77Å; I726-S728 VanDerWaalsContact C-N 3.28Å; I726-S728 PolarHBondContact O-N 3.07Å; S728-W730 PolarHBondContact O-N 2.89Å; S728-P738 WeakPolarHBondContact O-CD 3.48Å
729	C	92	Very high	88.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-26.8	179.5	-65.4	0	0	0	0	112.5	V665 Y666 L725 I726 R737	V665-C729 CarbonylContact C-O 3.57Å; V665-C729 HydrophobicContact CG1-CB 3.94Å; Y666-C729 WeakPolarHBondContact CA-O 3.38Å; Y666-C729 PolarHBondContact N-O 3.15Å; L725-C729 PolarHBondContact O-N 2.7Å; L725-C729 VanDerWaalsContact O-N 3.11Å; L725-C729 PolarHBondContact O-SG 2.95Å; I726-C729 WeakPolarHBondContact O-CB 3.45Å; I726-C729 PolarHBondContact O-N 2.98Å; I726-C729 VanDerWaalsContact O-N 3.13Å; C729-R737 WeakPolarHBondContact O-CD 3.44Å
730	W	91.8	Very high	89.8	Confident	13 Å²	13	48.3 Å²	48.3	5%	0.049	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	24.9	-178.8	65.6	37.8	0	0	0	115.2	Y666 G669 I670 H673 R707 P708 L710 I726 S728	Y666-W730 HydrophobicContact CD2-CB 3.64Å; Y666-W730 HydrophobicContact CE2-CB 3.83Å; Y666-W730 HydrophobicContact CG-CB 4.45Å; G669-W730 WeakPolarHBondContact O-CZ3 3.48Å; I670-W730 HydrophobicContact CD1-CE3 3.84Å; I670-W730 HydrophobicContact CD1-CZ3 4.17Å; H673-W730 HydrophobicContact CB-CH2 4.06Å; H673-W730 HydrophobicContact CB-CZ3 3.71Å; H673-W730 AromaticContact CD2-CH2 3.84Å; R707-W730 VanDerWaalsContact CZ-O 3.28Å; R707-W730 PolarHBondContact NE-O 3.22Å; R707-W730 PolarHBondContact NH2-O 3.37Å; P708-W730 HydrophobicContact CB-CH2 3.88Å; P708-W730 HydrophobicContact CB-CZ3 4.17Å; P708-W730 HydrophobicContact CG-CE3 4.22Å; P708-W730 HydrophobicContact CG-CH2 3.81Å; P708-W730 HydrophobicContact CG-CZ2 4.48Å; P708-W730 HydrophobicContact CG-CZ3 3.66Å; L710-W730 HydrophobicContact CD1-CH2 3.85Å; L710-W730 HydrophobicContact CD1-CZ2 3.52Å; L710-W730 HydrophobicContact CD2-CH2 4.5Å; L710-W730 HydrophobicContact CG-CH2 3.9Å; L710-W730 HydrophobicContact CG-CZ2 3.89Å; I726-W730 HydrophobicContact CG2-CE3 4.23Å; I726-W730 HydrophobicContact CG2-CH2 3.9Å; I726-W730 HydrophobicContact CG2-CZ2 4.41Å; I726-W730 HydrophobicContact CG2-CZ3 3.81Å; S728-W730 PolarHBondContact O-N 2.89Å
731	D	91.5	Very high	90.2	Very high	54 Å²	54	50.5 Å²	50.5	29%	0.289	24%	0.24	S	C	.	.			trans	-53.3	151.2	175	-158.2	-63.3	0	0	0	111.4	D733 R736 R737	D731-D733 VanDerWaalsContact C-N 3.31Å; D731-D733 PolarHBondContact OD1-N 2.96Å; D731-R736 HydrophobicContact CB-CB 4.14Å; D731-R737 HydrophobicContact CB-CG 4.1Å; D731-R737 VanDerWaalsContact O-CZ 3.3Å; D731-R737 PolarHBondContact O-NE 3.49Å; D731-R737 PolarHBondContact O-NH2 3.14Å
732	E	88.4	Confident	90.7	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.126	25%	0.251	C	S	.	.	S	Bend	trans	-68.7	-35.1	177.2	-170.5	69.6	-162.8	0	0	111.3	R655 F705 R707 P734	R655-E732 IonicContact CZ-OE1 2.84Å; R655-E732 IonicContact NH1-OE1 3.42Å; R655-E732 PolarHBondContact NH1-OE1 3.43Å; R655-E732 IonicContact NH2-OE1 2.67Å; R655-E732 PolarHBondContact NH2-OE1 2.77Å; F705-E732 HydrophobicContact CD1-CB 4.23Å; F705-E732 HydrophobicContact CD1-CG 3.65Å; F705-E732 HydrophobicContact CD2-CB 3.81Å; F705-E732 HydrophobicContact CD2-CG 4.13Å; F705-E732 HydrophobicContact CE1-CB 4.36Å; F705-E732 HydrophobicContact CE1-CG 3.65Å; F705-E732 HydrophobicContact CE2-CB 3.93Å; F705-E732 HydrophobicContact CE2-CG 4.12Å; F705-E732 HydrophobicContact CG-CB 3.97Å; F705-E732 HydrophobicContact CG-CG 3.91Å; F705-E732 HydrophobicContact CZ-CB 4.21Å; F705-E732 HydrophobicContact CZ-CG 3.89Å; R707-E732 IonicContact CZ-OE2 3.13Å; R707-E732 VanDerWaalsContact CZ-OE2 3.26Å; R707-E732 IonicContact NH1-OE2 2.74Å; R707-E732 PolarHBondContact NH1-OE2 3.12Å; R707-E732 VanDerWaalsContact NH2-CA 3.3Å; R707-E732 IonicContact NH2-OE2 2.71Å; R707-E732 PolarHBondContact NH2-OE2 3.49Å; E732-P734 WeakPolarHBondContact O-CD 3.48Å
733	D	88.9	Confident	91	Very high	57 Å²	57	54.3 Å²	54.3	31%	0.305	25%	0.251	S	S	.	.	S	Bend	trans	-83.7	113.8	175.7	-177.9	-13.9	0	0	0	109.9	D731 E735 R736	D731-D733 VanDerWaalsContact C-N 3.31Å; D731-D733 PolarHBondContact OD1-N 2.96Å; D733-E735 PolarHBondContact O-N 2.88Å; D733-E735 PolarHBondContact OD1-N 2.79Å; D733-E735 VanDerWaalsContact OD1-N 3.08Å; D733-R736 HydrophobicContact CB-CB 4.29Å; D733-R736 HydrophobicContact CB-CG 3.83Å; D733-R736 PolarHBondContact O-N 2.87Å; D733-R736 IonicContact OD2-CZ 3.57Å; D733-R736 IonicContact OD2-NE 2.77Å; D733-R736 PolarHBondContact OD2-NE 3.5Å; D733-R736 IonicContact OD2-NH2 3.56Å
734	P	91.1	Very high	91	Very high	36 Å²	36	54.3 Å²	54.3	23%	0.234	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.3	-177.9	-24.8	35.7	0	0	0	113.6	E652 K662 E732 R737	E652-P734 HydrophobicContact CG-CG 4.14Å; K662-P734 HydrophobicContact CB-CB 3.81Å; K662-P734 WeakPolarHBondContact CD-O 3.48Å; K662-P734 WeakPolarHBondContact CE-O 3.09Å; K662-P734 HydrophobicContact CG-CB 4.2Å; K662-P734 WeakPolarHBondContact CG-O 3.33Å; K662-P734 PolarHBondContact NZ-O 3.39Å; E732-P734 WeakPolarHBondContact O-CD 3.48Å; P734-R737 PolarHBondContact O-N 3.32Å
735	E	90.4	Very high	90.9	Very high	141 Å²	141	54.7 Å²	54.7	66%	0.659	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-26.7	-178.1	-65.5	-50.2	141	0	0	112.9	K662 D733 R737	K662-E735 PolarHBondContact NZ-O 3.02Å; K662-E735 VanDerWaalsContact NZ-O 3.14Å; K662-E735 IonicContact NZ-OE2 3.79Å; D733-E735 PolarHBondContact O-N 2.88Å; D733-E735 PolarHBondContact OD1-N 2.79Å; D733-E735 VanDerWaalsContact OD1-N 3.08Å; E735-R737 VanDerWaalsContact C-N 3.32Å; E735-R737 PolarHBondContact O-N 3.28Å
736	R	90.8	Very high	90.8	Very high	171 Å²	171	55.5 Å²	55.5	65%	0.645	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.1	176	-64	-179.5	-161.2	-156.5	-4.2	113.6	D731 D733	D731-R736 HydrophobicContact CB-CB 4.14Å; D733-R736 HydrophobicContact CB-CB 4.29Å; D733-R736 HydrophobicContact CB-CG 3.83Å; D733-R736 PolarHBondContact O-N 2.87Å; D733-R736 IonicContact OD2-CZ 3.57Å; D733-R736 IonicContact OD2-NE 2.77Å; D733-R736 PolarHBondContact OD2-NE 3.5Å; D733-R736 IonicContact OD2-NH2 3.56Å
737	R	93.8	Very high	90.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.008	26%	0.261	C	S	.	.	S	Bend	trans	-63.8	133.5	177.9	-57	176.8	-167.4	152.9	11.9	109.6	E652 K662 V665 C729 D731 P734 E735	E652-R737 IonicContact OE1-CZ 3.49Å; E652-R737 IonicContact OE1-NH1 3.52Å; E652-R737 PolarHBondContact OE1-NH1 2.94Å; E652-R737 IonicContact OE1-NH2 3.33Å; E652-R737 IonicContact OE2-CZ 3.89Å; E652-R737 IonicContact OE2-NH1 2.66Å; E652-R737 PolarHBondContact OE2-NH1 2.87Å; E652-R737 IonicContact OE2-NH2 3.1Å; E652-R737 PolarHBondContact OE2-NH2 3.41Å; K662-R737 PolarHBondContact NZ-O 2.89Å; K662-R737 WeakPolarHBondContact O-CD 3.36Å; K662-R737 PolarHBondContact O-NH1 3.08Å; V665-R737 HydrophobicContact CG1-CB 3.99Å; C729-R737 WeakPolarHBondContact O-CD 3.44Å; D731-R737 HydrophobicContact CB-CG 4.1Å; D731-R737 VanDerWaalsContact O-CZ 3.3Å; D731-R737 PolarHBondContact O-NE 3.49Å; D731-R737 PolarHBondContact O-NH2 3.14Å; P734-R737 PolarHBondContact O-N 3.32Å; E735-R737 VanDerWaalsContact C-N 3.32Å; E735-R737 PolarHBondContact O-N 3.28Å
738	P	93.8	Very high	90.1	Very high	10 Å²	10	51.6 Å²	51.6	7%	0.065	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.5	161	175.3	27.9	-35.1	0	0	0	111.3	V665 S728 R742 I743	V665-P738 WeakPolarHBondContact CG1-O 3.35Å; V665-P738 WeakPolarHBondContact CG2-O 3.27Å; S728-P738 WeakPolarHBondContact O-CD 3.48Å; P738-R742 HydrophobicContact CB-CB 4.34Å; P738-R742 HydrophobicContact CB-CG 4.33Å; P738-I743 HydrophobicContact CB-CG1 4.09Å; P738-I743 HydrophobicContact CG-CD1 4.11Å; P738-I743 HydrophobicContact CG-CG1 3.82Å
739	D	92.7	Very high	89.6	Confident	83 Å²	83	55.6 Å²	55.6	44%	0.444	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-85.9	160.3	167.4	68	-53.9	0	0	0	110.7	K741 R742 I743	D739-K741 PolarHBondContact O-N 3Å; D739-K741 VanDerWaalsContact O-N 3.15Å; D739-K741 WeakPolarHBondContact OD2-CB 3.48Å; D739-K741 PolarHBondContact OD2-N 3.48Å; D739-R742 PolarHBondContact O-N 3.47Å; D739-R742 VanDerWaalsContact O-N 3.1Å; D739-R742 WeakPolarHBondContact OD1-CB 3.42Å; D739-R742 PolarHBondContact OD1-N 3.45Å; D739-I743 WeakPolarHBondContact O-CG1 3.46Å; D739-I743 PolarHBondContact O-N 3.04Å
740	F	93.4	Very high	89.1	Confident	5 Å²	5	55.7 Å²	55.7	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-25.7	-178.4	-81.5	-76.2	0	0	0	113.9	A600 M603 H607 L617 D664 V665 Y668 I743 E744	A600-F740 HydrophobicContact CB-CD1 4.32Å; M603-F740 HydrophobicContact CB-CB 4.41Å; M603-F740 HydrophobicContact CB-CD1 3.51Å; M603-F740 HydrophobicContact CB-CD2 3.77Å; M603-F740 HydrophobicContact CB-CE1 3.52Å; M603-F740 HydrophobicContact CB-CE2 3.78Å; M603-F740 HydrophobicContact CB-CG 3.63Å; M603-F740 HydrophobicContact CB-CZ 3.65Å; M603-F740 HydrophobicContact CE-CE2 3.91Å; M603-F740 HydrophobicContact CE-CZ 4.21Å; M603-F740 HydrophobicContact CG-CD1 4.29Å; M603-F740 HydrophobicContact CG-CE1 3.78Å; M603-F740 HydrophobicContact CG-CE2 4.17Å; M603-F740 HydrophobicContact CG-CZ 3.71Å; H607-F740 AromaticContact CE1-CD2 3.44Å; H607-F740 VanDerWaalsContact CE1-CD2 3.44Å; H607-F740 WeakPolarHBondContact CE1-CD2 3.29Å; H607-F740 AromaticContact CE1-CE2 3.47Å; H607-F740 VanDerWaalsContact CE1-CE2 3.47Å; H607-F740 WeakPolarHBondContact CE1-CE2 3.47Å; H607-F740 AromaticContact ND1-CD2 3.48Å; H607-F740 WeakPolarHBondContact ND1-CD2 3.36Å; L617-F740 HydrophobicContact CD2-CZ 4.34Å; D664-F740 HydrophobicContact CB-CE2 3.94Å; D664-F740 HydrophobicContact CB-CZ 4.36Å; V665-F740 HydrophobicContact CB-CE2 4.37Å; V665-F740 HydrophobicContact CG2-CD2 3.73Å; V665-F740 HydrophobicContact CG2-CE2 3.45Å; V665-F740 VanDerWaalsContact CG2-CE2 3.45Å; V665-F740 HydrophobicContact CG2-CG 4.49Å; V665-F740 HydrophobicContact CG2-CZ 4.01Å; Y668-F740 HydrophobicContact CD1-CE1 4.26Å; Y668-F740 AromaticContact CD2-CE1 3.76Å; Y668-F740 HydrophobicContact CD2-CE1 3.76Å; Y668-F740 HydrophobicContact CD2-CZ 4.49Å; Y668-F740 HydrophobicContact CE2-CE1 4.42Å; Y668-F740 AromaticContact CG-CE1 3.66Å; Y668-F740 HydrophobicContact CG-CE1 3.66Å; Y668-F740 HydrophobicContact CG-CZ 4.18Å; F740-I743 HydrophobicContact CD1-CD1 4.02Å; F740-I743 HydrophobicContact CE1-CD1 4.29Å; F740-I743 HydrophobicContact CG-CD1 4.49Å; F740-I743 PolarHBondContact O-N 2.89Å; F740-E744 WeakPolarHBondContact O-CB 3.36Å; F740-E744 PolarHBondContact O-N 2.83Å
741	K	90.3	Very high	88.2	Confident	100 Å²	100	58.4 Å²	58.4	44%	0.435	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-39.8	175.6	-164	70.7	-163.8	165.1	0	111.8	D739 E744 L745	D739-K741 PolarHBondContact O-N 3Å; D739-K741 VanDerWaalsContact O-N 3.15Å; D739-K741 WeakPolarHBondContact OD2-CB 3.48Å; D739-K741 PolarHBondContact OD2-N 3.48Å; K741-E744 WeakPolarHBondContact CE-OE2 3.41Å; K741-E744 IonicContact NZ-OE2 3.76Å; K741-E744 PolarHBondContact NZ-OE2 3.4Å; K741-L745 HydrophobicContact CG-CD1 4.46Å; K741-L745 WeakPolarHBondContact O-CB 3.38Å; K741-L745 VanDerWaalsContact O-CG 3.27Å; K741-L745 WeakPolarHBondContact O-CG 3.27Å; K741-L745 PolarHBondContact O-N 3.09Å; K741-L745 VanDerWaalsContact O-N 3.08Å
742	R	91.6	Very high	87.2	Confident	161 Å²	161	59.1 Å²	59.1	61%	0.608	29%	0.286	S	S	*	.	H	α-helix	trans	-67.5	-35.9	171.4	-175.3	173.3	179.2	175.5	-0.8	112.4	P738 D739 L745 T746	P738-R742 HydrophobicContact CB-CB 4.34Å; P738-R742 HydrophobicContact CB-CG 4.33Å; D739-R742 PolarHBondContact O-N 3.47Å; D739-R742 VanDerWaalsContact O-N 3.1Å; D739-R742 WeakPolarHBondContact OD1-CB 3.42Å; D739-R742 PolarHBondContact OD1-N 3.45Å; R742-L745 PolarHBondContact O-N 3.18Å; R742-T746 WeakPolarHBondContact O-CB 3.23Å; R742-T746 PolarHBondContact O-N 2.78Å; R742-T746 PolarHBondContact O-OG1 3.35Å; R742-T746 VanDerWaalsContact O-OG1 3.09Å
743	I	92.4	Very high	86.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-50.1	173.9	-63.8	169.9	0	0	0	110.7	A600 V665 Y668 L725 P738 D739 F740 L745 T746 L747	A600-I743 HydrophobicContact CB-CG2 3.79Å; V665-I743 HydrophobicContact CG1-CD1 3.96Å; V665-I743 HydrophobicContact CG2-CD1 4.45Å; Y668-I743 HydrophobicContact CD1-CD1 4.18Å; Y668-I743 HydrophobicContact CD1-CG2 4.43Å; Y668-I743 HydrophobicContact CE1-CD1 4.39Å; Y668-I743 HydrophobicContact CE1-CG2 3.63Å; L725-I743 HydrophobicContact CD1-CG1 4.4Å; L725-I743 HydrophobicContact CD2-CG2 4.45Å; P738-I743 HydrophobicContact CB-CG1 4.09Å; P738-I743 HydrophobicContact CG-CD1 4.11Å; P738-I743 HydrophobicContact CG-CG1 3.82Å; D739-I743 WeakPolarHBondContact O-CG1 3.46Å; D739-I743 PolarHBondContact O-N 3.04Å; F740-I743 HydrophobicContact CD1-CD1 4.02Å; F740-I743 HydrophobicContact CE1-CD1 4.29Å; F740-I743 HydrophobicContact CG-CD1 4.49Å; F740-I743 PolarHBondContact O-N 2.89Å; I743-L745 VanDerWaalsContact C-N 3.34Å; I743-L745 PolarHBondContact O-N 3.47Å; I743-T746 PolarHBondContact O-N 3.29Å; I743-L747 HydrophobicContact CG2-CD1 3.77Å; I743-L747 HydrophobicContact CG2-CG 4.4Å; I743-L747 WeakPolarHBondContact O-CG 3.45Å; I743-L747 PolarHBondContact O-N 2.8Å
744	E	87.6	Confident	85.1	Confident	20 Å²	20	61.4 Å²	61.4	9%	0.093	30%	0.299	C	S	.	.	H	α-helix	trans	-54.7	-49	175.9	-175.1	-169.3	-165.7	0	0	111.3	Y597 F740 K741 T746 L747 G748	Y597-E744 HydrophobicContact CD2-CG 4.43Å; Y597-E744 HydrophobicContact CE1-CG 4.5Å; Y597-E744 HydrophobicContact CE2-CG 3.63Å; Y597-E744 WeakPolarHBondContact CE2-O 3.22Å; Y597-E744 WeakPolarHBondContact OH-CG 3.32Å; Y597-E744 PolarHBondContact OH-OE1 3.14Å; F740-E744 WeakPolarHBondContact O-CB 3.36Å; F740-E744 PolarHBondContact O-N 2.83Å; K741-E744 WeakPolarHBondContact CE-OE2 3.41Å; K741-E744 IonicContact NZ-OE2 3.76Å; K741-E744 PolarHBondContact NZ-OE2 3.4Å; E744-T746 PolarHBondContact O-N 3Å; E744-L747 PolarHBondContact O-N 3.36Å; E744-G748 PolarHBondContact O-N 3.23Å
745	L	86.4	Confident	83.4	Confident	102 Å²	102	61.7 Å²	61.7	53%	0.534	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-35	-179.6	-70.8	170.9	0	0	0	113.4	K741 R742 I743 K749	K741-L745 HydrophobicContact CG-CD1 4.46Å; K741-L745 WeakPolarHBondContact O-CB 3.38Å; K741-L745 VanDerWaalsContact O-CG 3.27Å; K741-L745 WeakPolarHBondContact O-CG 3.27Å; K741-L745 PolarHBondContact O-N 3.09Å; K741-L745 VanDerWaalsContact O-N 3.08Å; R742-L745 PolarHBondContact O-N 3.18Å; I743-L745 VanDerWaalsContact C-N 3.34Å; I743-L745 PolarHBondContact O-N 3.47Å; L745-K749 WeakPolarHBondContact O-CG 3.41Å; L745-K749 PolarHBondContact O-N 3.46Å
746	T	87	Confident	81.7	Confident	30 Å²	30	61.5 Å²	61.5	18%	0.184	30%	0.301	C	S	.	.	H	α-helix	trans	-72.2	-42.5	175	-62.9	0	0	0	0	111.3	L725 R742 I743 E744 G748 K749 I750	L725-T746 HydrophobicContact CD1-CG2 4.21Å; L725-T746 HydrophobicContact CD2-CG2 3.9Å; L725-T746 HydrophobicContact CG-CG2 4.47Å; R742-T746 WeakPolarHBondContact O-CB 3.23Å; R742-T746 PolarHBondContact O-N 2.78Å; R742-T746 PolarHBondContact O-OG1 3.35Å; R742-T746 VanDerWaalsContact O-OG1 3.09Å; I743-T746 PolarHBondContact O-N 3.29Å; E744-T746 PolarHBondContact O-N 3Å; T746-G748 PolarHBondContact O-N 3.43Å; T746-K749 WeakPolarHBondContact O-CB 3.38Å; T746-K749 PolarHBondContact O-N 2.98Å; T746-I750 HydrophobicContact CG2-CD1 3.94Å; T746-I750 HydrophobicContact CG2-CG1 4.45Å; T746-I750 WeakPolarHBondContact O-CG1 3.37Å; T746-I750 PolarHBondContact O-N 2.95Å
747	L	85.8	Confident	79.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-39.3	176.7	-69.7	169.8	0	0	0	112.3	I593 M596 Y597 A600 Y668 L722 L725 I743 E744 K749 I750 F751	I593-L747 HydrophobicContact CG2-CD2 4.49Å; M596-L747 HydrophobicContact CB-CD1 4.24Å; M596-L747 HydrophobicContact CE-CD2 4.03Å; Y597-L747 HydrophobicContact CD2-CB 3.97Å; A600-L747 HydrophobicContact CB-CD1 4.17Å; Y668-L747 WeakPolarHBondContact OH-CD1 3.49Å; L722-L747 HydrophobicContact CD1-CD2 3.51Å; L725-L747 HydrophobicContact CD2-CD2 3.73Å; L725-L747 HydrophobicContact CD2-CG 3.8Å; I743-L747 HydrophobicContact CG2-CD1 3.77Å; I743-L747 HydrophobicContact CG2-CG 4.4Å; I743-L747 WeakPolarHBondContact O-CG 3.45Å; I743-L747 PolarHBondContact O-N 2.8Å; E744-L747 PolarHBondContact O-N 3.36Å; L747-K749 VanDerWaalsContact C-N 3.29Å; L747-K749 PolarHBondContact O-N 3.11Å; L747-I750 PolarHBondContact O-N 3.04Å; L747-F751 VanDerWaalsContact O-CB 3.32Å; L747-F751 WeakPolarHBondContact O-CB 3.11Å; L747-F751 PolarHBondContact O-N 3.03Å
748	G	80.6	Confident	77.6	Confident	29 Å²	29	65.1 Å²	65.1	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-40.6	172.7	0	0	0	0	0	112.5	E744 T746 S752	E744-G748 PolarHBondContact O-N 3.23Å; T746-G748 PolarHBondContact O-N 3.43Å; G748-S752 PolarHBondContact O-N 2.91Å; G748-S752 PolarHBondContact O-OG 2.79Å
749	K	82.4	Confident	75.5	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-46.6	174.9	-73.8	172.6	-180	-176	0	112.8	L745 T746 L747 F751 S752 N753	L745-K749 WeakPolarHBondContact O-CG 3.41Å; L745-K749 PolarHBondContact O-N 3.46Å; T746-K749 WeakPolarHBondContact O-CB 3.38Å; T746-K749 PolarHBondContact O-N 2.98Å; L747-K749 VanDerWaalsContact C-N 3.29Å; L747-K749 PolarHBondContact O-N 3.11Å; K749-F751 VanDerWaalsContact C-N 3.29Å; K749-F751 PolarHBondContact O-N 3.46Å; K749-S752 WeakPolarHBondContact CA-OG 3.15Å; K749-S752 PolarHBondContact O-N 3.34Å; K749-S752 PolarHBondContact O-OG 2.85Å; K749-N753 VanDerWaalsContact O-CB 3.25Å; K749-N753 WeakPolarHBondContact O-CB 3.48Å; K749-N753 PolarHBondContact O-N 2.81Å; K749-N753 PolarHBondContact O-ND2 2.97Å; K749-N753 PolarHBondContact O-OD1 3.2Å
750	I	80.1	Confident	73.3	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.015	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-44	177.1	-64.4	164.9	0	0	0	109.8	I593 E721 L722 T746 L747 N753 L754	I593-I750 HydrophobicContact CD1-CG2 3.91Å; E721-I750 HydrophobicContact CB-CD1 4.28Å; E721-I750 HydrophobicContact CB-CG1 4.26Å; E721-I750 HydrophobicContact CG-CD1 4.02Å; E721-I750 HydrophobicContact CG-CG1 3.98Å; L722-I750 HydrophobicContact CB-CD1 4.21Å; L722-I750 HydrophobicContact CD1-CD1 4.2Å; T746-I750 HydrophobicContact CG2-CD1 3.94Å; T746-I750 HydrophobicContact CG2-CG1 4.45Å; T746-I750 WeakPolarHBondContact O-CG1 3.37Å; T746-I750 PolarHBondContact O-N 2.95Å; L747-I750 PolarHBondContact O-N 3.04Å; I750-N753 PolarHBondContact O-N 3.2Å; I750-L754 HydrophobicContact CG2-CD1 4.29Å; I750-L754 WeakPolarHBondContact O-CG 3.38Å; I750-L754 PolarHBondContact O-N 2.9Å
751	F	74.3	Confident	71.4	Confident	70 Å²	70	75.3 Å²	75.3	31%	0.307	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-45.2	177.3	-167.5	-96.4	0	0	0	112.3	E590 I593 L747 K749 L754	E590-F751 HydrophobicContact CB-CE2 4.26Å; I593-F751 HydrophobicContact CB-CD2 4.43Å; I593-F751 HydrophobicContact CG2-CB 4.13Å; I593-F751 HydrophobicContact CG2-CD2 3.89Å; I593-F751 HydrophobicContact CG2-CG 4.48Å; L747-F751 VanDerWaalsContact O-CB 3.32Å; L747-F751 WeakPolarHBondContact O-CB 3.11Å; L747-F751 PolarHBondContact O-N 3.03Å; K749-F751 VanDerWaalsContact C-N 3.29Å; K749-F751 PolarHBondContact O-N 3.46Å; F751-L754 PolarHBondContact O-N 2.84Å
752	S	70.3	Confident	69.6	Low	68 Å²	68	78.4 Å²	78.4	48%	0.476	41%	0.408	S	S	.	.	H	α-helix	trans	-67.4	-35	173.6	56.2	0	0	0	0	113.3	G748 K749 L754 H755	G748-S752 PolarHBondContact O-N 2.91Å; G748-S752 PolarHBondContact O-OG 2.79Å; K749-S752 WeakPolarHBondContact CA-OG 3.15Å; K749-S752 PolarHBondContact O-N 3.34Å; K749-S752 PolarHBondContact O-OG 2.85Å; S752-L754 VanDerWaalsContact C-N 3.3Å; S752-L754 PolarHBondContact O-N 3.02Å; S752-H755 PolarHBondContact O-N 3.14Å
753	N	68.9	Low	67.3	Low	85 Å²	85	75.6 Å²	75.6	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-72.7	-21.5	179.6	-72.2	-11.5	0	0	0	112.7	K718 K749 I750	K718-N753 WeakPolarHBondContact CE-O 3.42Å; K718-N753 PolarHBondContact NZ-O 3.23Å; K749-N753 VanDerWaalsContact O-CB 3.25Å; K749-N753 WeakPolarHBondContact O-CB 3.48Å; K749-N753 PolarHBondContact O-N 2.81Å; K749-N753 PolarHBondContact O-ND2 2.97Å; K749-N753 PolarHBondContact O-OD1 3.2Å; I750-N753 PolarHBondContact O-N 3.2Å
754	L	63.8	Low	65.3	Low	47 Å²	47	79.6 Å²	79.6	25%	0.246	42%	0.424	C	S	.	.	H	α-helix	trans	-68.7	-41.9	169.1	-77.1	161.7	0	0	0	110.9	I593 K718 I750 F751 S752 N756	I593-L754 HydrophobicContact CD1-CD1 3.42Å; I593-L754 VanDerWaalsContact CD1-CD1 3.42Å; K718-L754 HydrophobicContact CB-CD2 4.12Å; K718-L754 HydrophobicContact CD-CD2 3.81Å; K718-L754 HydrophobicContact CD-CG 4.46Å; K718-L754 PolarHBondContact NZ-O 3.14Å; I750-L754 HydrophobicContact CG2-CD1 4.29Å; I750-L754 WeakPolarHBondContact O-CG 3.38Å; I750-L754 PolarHBondContact O-N 2.9Å; F751-L754 PolarHBondContact O-N 2.84Å; S752-L754 VanDerWaalsContact C-N 3.3Å; S752-L754 PolarHBondContact O-N 3.02Å; L754-N756 PolarHBondContact O-N 3.27Å
755	H	55.7	Low	63.8	Low	43 Å²	43	81 Å²	81	20%	0.199	43%	0.432	C	S	.	.			trans	-86.7	93.8	-175.8	-97.5	50.7	0	0	0	113.9	E590 S752 Q757 T761	E590-H755 IonicContact OE1-CE1 2.7Å; E590-H755 PolarHBondContact OE1-CE1 3.41Å; E590-H755 IonicContact OE1-ND1 2.82Å; E590-H755 PolarHBondContact OE1-ND1 3.49Å; E590-H755 IonicContact OE2-CE1 2.68Å; E590-H755 PolarHBondContact OE2-CE1 2.91Å; S752-H755 PolarHBondContact O-N 3.14Å; H755-Q757 PolarHBondContact O-N 3.39Å; H755-T761 PolarHBondContact CD2-OG1 2.91Å; H755-T761 VanDerWaalsContact NE2-CB 3.3Å; H755-T761 WeakPolarHBondContact NE2-CB 3.33Å; H755-T761 PolarHBondContact NE2-OG1 3.17Å
756	N	53.9	Low	62.3	Low	137 Å²	137	79.5 Å²	79.5	73%	0.733	42%	0.424	S	S	*	.	S	Bend	trans	-74.3	22.2	176.1	-82.9	20.3	0	0	0	115.1	L754	L754-N756 PolarHBondContact O-N 3.27Å
757	Q	49.9	Very low	60.9	Low	151 Å²	151	80.9 Å²	80.9	71%	0.706	43%	0.43	S	S	*	.	S	Bend	trans	-163	134.8	166.3	-107.1	152	1	0	0	109.1	H755	H755-Q757 PolarHBondContact O-N 3.39Å
758	A	49.6	Very low	59.6	Low	98 Å²	98	88.3 Å²	88.3	81%	0.81	46%	0.458	S	S	*	.	S	Bend	trans	-103.2	9.6	-155.5	0	0	0	0	0	116.6
759	T	47.9	Very low	58.6	Low	116 Å²	116	91.3 Å²	91.3	71%	0.712	46%	0.46	S	S	*	.	S	Bend	trans	-133.1	-31	-168.2	33.8	0	0	0	0	117.1
760	E	47.1	Very low	57.2	Low	144 Å²	144	89.9 Å²	89.9	67%	0.673	46%	0.458	S	S	*	.	S	Bend	trans	-86.6	-47.6	-173.3	-63.8	-175.2	138.1	0	0	112.4	Y762 M763 D764	E760-Y762 PolarHBondContact O-N 3.24Å; E760-M763 WeakPolarHBondContact O-CB 2.99Å; E760-M763 PolarHBondContact O-N 3.14Å; E760-M763 VanDerWaalsContact O-N 3.17Å; E760-D764 PolarHBondContact O-N 3.2Å
761	T	54.4	Low	56.1	Low	52 Å²	52	95.3 Å²	95.3	32%	0.319	48%	0.483	S	S	.	.	H	α-helix	trans	-80.9	-12.8	-168.6	35.9	0	0	0	0	116.6	H755 M763 D764 N765	H755-T761 PolarHBondContact CD2-OG1 2.91Å; H755-T761 VanDerWaalsContact NE2-CB 3.3Å; H755-T761 WeakPolarHBondContact NE2-CB 3.33Å; H755-T761 PolarHBondContact NE2-OG1 3.17Å; T761-M763 PolarHBondContact O-N 2.93Å; T761-D764 HydrophobicContact CG2-CB 4.49Å; T761-D764 PolarHBondContact O-N 3.44Å; T761-N765 PolarHBondContact O-N 3.24Å
762	Y	51.2	Low	55.2	Low	165 Å²	165	97 Å²	97	65%	0.647	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-37.7	165.5	-178.7	-95.5	0	0	0	110.3	E760 L766	E760-Y762 PolarHBondContact O-N 3.24Å; Y762-L766 WeakPolarHBondContact O-CB 3.46Å; Y762-L766 PolarHBondContact O-N 2.89Å; Y762-L766 VanDerWaalsContact O-N 3.09Å
763	M	43.8	Very low	54.5	Low	101 Å²	101	100.8 Å²	100.8	50%	0.498	50%	0.499	S	S	.	.	H	α-helix	trans	-67.1	-42.4	172.7	-67.4	-62.6	-64.7	0	0	110.9	E760 T761 N765 L766 I767	E760-M763 WeakPolarHBondContact O-CB 2.99Å; E760-M763 PolarHBondContact O-N 3.14Å; E760-M763 VanDerWaalsContact O-N 3.17Å; T761-M763 PolarHBondContact O-N 2.93Å; M763-N765 PolarHBondContact O-N 3.01Å; M763-L766 CarbonylContact O-C 3.55Å; M763-L766 WeakPolarHBondContact O-CA 3.36Å; M763-L766 WeakPolarHBondContact O-CB 3.3Å; M763-L766 PolarHBondContact O-N 3.39Å; M763-L766 VanDerWaalsContact O-N 3.1Å; M763-I767 HydrophobicContact CB-CD1 4.31Å; M763-I767 WeakPolarHBondContact O-CB 3.44Å; M763-I767 WeakPolarHBondContact O-CD1 2.95Å; M763-I767 WeakPolarHBondContact O-CG1 3.42Å; M763-I767 PolarHBondContact O-N 3.01Å
764	D	51.8	Low	53.7	Low	85 Å²	85	99.5 Å²	99.5	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-39.9	177.8	-74.7	-36.5	0	0	0	113.6	E760 T761 L766 I767 R768	E760-D764 PolarHBondContact O-N 3.2Å; T761-D764 HydrophobicContact CG2-CB 4.49Å; T761-D764 PolarHBondContact O-N 3.44Å; D764-L766 VanDerWaalsContact C-N 3.31Å; D764-L766 PolarHBondContact O-N 2.66Å; D764-I767 PolarHBondContact O-N 3.39Å; D764-R768 PolarHBondContact O-N 2.93Å
765	N	55.1	Low	53.6	Low	50 Å²	50	105 Å²	105	27%	0.267	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-32	173.7	-99.1	-48.8	0	0	0	112	E590 T761 M763 R769	E590-N765 PolarHBondContact OE2-ND2 3.41Å; T761-N765 PolarHBondContact O-N 3.24Å; M763-N765 PolarHBondContact O-N 3.01Å; N765-R769 WeakPolarHBondContact O-CG 3.1Å; N765-R769 PolarHBondContact O-N 3.05Å
766	L	55.3	Low	53.6	Low	70 Å²	70	105 Å²	105	37%	0.366	52%	0.517	S	S	.	.	H	α-helix	trans	-70.1	-38.9	169.7	-151.3	83.2	0	0	0	111.9	Y762 M763 D764 R769 L770	Y762-L766 WeakPolarHBondContact O-CB 3.46Å; Y762-L766 PolarHBondContact O-N 2.89Å; Y762-L766 VanDerWaalsContact O-N 3.09Å; M763-L766 CarbonylContact O-C 3.55Å; M763-L766 WeakPolarHBondContact O-CA 3.36Å; M763-L766 WeakPolarHBondContact O-CB 3.3Å; M763-L766 PolarHBondContact O-N 3.39Å; M763-L766 VanDerWaalsContact O-N 3.1Å; D764-L766 VanDerWaalsContact C-N 3.31Å; D764-L766 PolarHBondContact O-N 2.66Å; L766-R769 CarbonylContact O-C 3.38Å; L766-R769 PolarHBondContact O-N 3.15Å; L766-L770 HydrophobicContact CD2-CD1 4.26Å; L766-L770 HydrophobicContact CG-CD1 4.34Å; L766-L770 WeakPolarHBondContact O-CB 3.37Å; L766-L770 WeakPolarHBondContact O-CG 3.39Å; L766-L770 PolarHBondContact O-N 3.25Å
767	I	56.8	Low	53.8	Low	59 Å²	59	102 Å²	102	30%	0.303	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-41.8	179.9	-73.1	161.7	0	0	0	110.6	M763 D764 R769 L770 Q771	M763-I767 HydrophobicContact CB-CD1 4.31Å; M763-I767 WeakPolarHBondContact O-CB 3.44Å; M763-I767 WeakPolarHBondContact O-CD1 2.95Å; M763-I767 WeakPolarHBondContact O-CG1 3.42Å; M763-I767 PolarHBondContact O-N 3.01Å; D764-I767 PolarHBondContact O-N 3.39Å; I767-R769 VanDerWaalsContact C-N 3.31Å; I767-R769 PolarHBondContact O-N 2.88Å; I767-L770 CarbonylContact O-C 3.54Å; I767-L770 PolarHBondContact O-N 3.37Å; I767-L770 VanDerWaalsContact O-N 3.14Å; I767-Q771 HydrophobicContact CG2-CG 4.14Å; I767-Q771 WeakPolarHBondContact O-CB 2.96Å; I767-Q771 VanDerWaalsContact O-CG 3.28Å; I767-Q771 WeakPolarHBondContact O-CG 3.22Å; I767-Q771 PolarHBondContact O-N 2.92Å
768	R	58.8	Low	54.5	Low	156 Å²	156	99.5 Å²	99.5	59%	0.589	49%	0.489	S	S	*	.	H	α-helix	trans	-57.4	-42.7	169.9	-85.7	-178.2	164.3	-171.5	-4.1	111.7	D764 M772	D764-R768 PolarHBondContact O-N 2.93Å; R768-M772 PolarHBondContact O-N 2.77Å
769	R	59.1	Low	55.3	Low	92 Å²	92	98 Å²	98	35%	0.347	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-36	175.1	-68.3	-179.6	-169.3	-138	9.2	112.2	R627 N765 L766 I767 Y773	R627-R769 PolarHBondContact O-NH1 2.02Å; N765-R769 WeakPolarHBondContact O-CG 3.1Å; N765-R769 PolarHBondContact O-N 3.05Å; L766-R769 CarbonylContact O-C 3.38Å; L766-R769 PolarHBondContact O-N 3.15Å; I767-R769 VanDerWaalsContact C-N 3.31Å; I767-R769 PolarHBondContact O-N 2.88Å; R769-Y773 PolarHBondContact O-N 3.44Å
770	L	54.2	Low	56	Low	96 Å²	96	96.2 Å²	96.2	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-75.3	-37.1	177.2	-74.7	164.3	0	0	0	113.7	L766 I767 M772 Y773 S774	L766-L770 HydrophobicContact CD2-CD1 4.26Å; L766-L770 HydrophobicContact CG-CD1 4.34Å; L766-L770 WeakPolarHBondContact O-CB 3.37Å; L766-L770 WeakPolarHBondContact O-CG 3.39Å; L766-L770 PolarHBondContact O-N 3.25Å; I767-L770 CarbonylContact O-C 3.54Å; I767-L770 PolarHBondContact O-N 3.37Å; I767-L770 VanDerWaalsContact O-N 3.14Å; L770-M772 VanDerWaalsContact C-N 3.3Å; L770-M772 PolarHBondContact O-N 2.93Å; L770-Y773 CarbonylContact O-C 3.55Å; L770-Y773 WeakPolarHBondContact O-CA 3.36Å; L770-Y773 WeakPolarHBondContact O-CB 3.36Å; L770-Y773 PolarHBondContact O-N 3.42Å; L770-S774 PolarHBondContact O-N 3.39Å
771	Q	56.8	Low	56.9	Low	116 Å²	116	93.7 Å²	93.7	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-36.7	175.6	-76.1	171.7	-7.7	0	0	111.5	I767 Y773 S774 R775	I767-Q771 HydrophobicContact CG2-CG 4.14Å; I767-Q771 WeakPolarHBondContact O-CB 2.96Å; I767-Q771 VanDerWaalsContact O-CG 3.28Å; I767-Q771 WeakPolarHBondContact O-CG 3.22Å; I767-Q771 PolarHBondContact O-N 2.92Å; Q771-Y773 VanDerWaalsContact C-N 3.32Å; Q771-S774 WeakPolarHBondContact O-CB 3.5Å; Q771-S774 PolarHBondContact O-N 2.64Å; Q771-R775 PolarHBondContact O-N 3.35Å
772	M	55.8	Low	57.5	Low	106 Å²	106	97.5 Å²	97.5	52%	0.522	47%	0.466	S	S	.	.	H	α-helix	trans	-66.9	-31.9	170.9	-72.1	-62.3	-172.2	0	0	112.7	R768 L770 T776	R768-M772 PolarHBondContact O-N 2.77Å; L770-M772 VanDerWaalsContact C-N 3.3Å; L770-M772 PolarHBondContact O-N 2.93Å; M772-T776 WeakPolarHBondContact O-CB 3.16Å; M772-T776 PolarHBondContact O-N 3.25Å; M772-T776 PolarHBondContact O-OG1 3.45Å
773	Y	53.8	Low	58.3	Low	148 Å²	148	93.3 Å²	93.3	58%	0.58	45%	0.452	S	S	*	.	H	α-helix	trans	-69.5	-39.7	171.6	-173.8	-115.7	0	0	0	111.8	R769 L770 Q771 T776 L777	R769-Y773 PolarHBondContact O-N 3.44Å; L770-Y773 CarbonylContact O-C 3.55Å; L770-Y773 WeakPolarHBondContact O-CA 3.36Å; L770-Y773 WeakPolarHBondContact O-CB 3.36Å; L770-Y773 PolarHBondContact O-N 3.42Å; Q771-Y773 VanDerWaalsContact C-N 3.32Å; Y773-T776 PolarHBondContact O-N 2.88Å; Y773-L777 HydrophobicContact CD1-CD1 3.95Å; Y773-L777 HydrophobicContact CE1-CD1 3.57Å; Y773-L777 HydrophobicContact CE1-CG 4.28Å; Y773-L777 HydrophobicContact CE2-CG 4.45Å; Y773-L777 WeakPolarHBondContact O-CG 3.3Å; Y773-L777 PolarHBondContact O-N 2.93Å
774	S	53	Low	59.2	Low	57 Å²	57	97.8 Å²	97.8	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-58.1	-52.4	172.5	-160	0	0	0	0	111.3	L770 Q771 T776 L777 E778	L770-S774 PolarHBondContact O-N 3.39Å; Q771-S774 WeakPolarHBondContact O-CB 3.5Å; Q771-S774 PolarHBondContact O-N 2.64Å; S774-T776 VanDerWaalsContact C-N 3.28Å; S774-T776 PolarHBondContact O-N 3.1Å; S774-L777 CarbonylContact O-C 3.57Å; S774-L777 WeakPolarHBondContact O-CA 3.14Å; S774-L777 WeakPolarHBondContact O-CB 3.42Å; S774-L777 PolarHBondContact O-N 3.36Å; S774-E778 WeakPolarHBondContact CB-OE1 3.3Å; S774-E778 VanDerWaalsContact O-CD 3.31Å; S774-E778 WeakPolarHBondContact O-CG 3.28Å; S774-E778 PolarHBondContact O-N 3.18Å; S774-E778 PolarHBondContact OG-OE1 2.67Å
775	R	61.8	Low	60.1	Low	162 Å²	162	97.7 Å²	97.7	61%	0.611	47%	0.466	S	S	*	.	H	α-helix	trans	-59.4	-35.6	176	-74.9	-178.4	172.8	177.1	-1.9	113.8	Q771 E778 C779	Q771-R775 PolarHBondContact O-N 3.35Å; R775-E778 WeakPolarHBondContact CA-OE2 3.35Å; R775-E778 PolarHBondContact O-N 3.48Å; R775-C779 PolarHBondContact O-N 3.08Å; R775-C779 VanDerWaalsContact O-N 3.1Å; R775-C779 PolarHBondContact O-SG 2.86Å
776	T	55.5	Low	61	Low	44 Å²	44	98.1 Å²	98.1	27%	0.27	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-41.1	174.5	-57.7	0	0	0	0	111.1	L489 M772 Y773 S774 L780	L489-T776 HydrophobicContact CD1-CG2 3.96Å; M772-T776 WeakPolarHBondContact O-CB 3.16Å; M772-T776 PolarHBondContact O-N 3.25Å; M772-T776 PolarHBondContact O-OG1 3.45Å; Y773-T776 PolarHBondContact O-N 2.88Å; S774-T776 VanDerWaalsContact C-N 3.28Å; S774-T776 PolarHBondContact O-N 3.1Å; T776-L780 HydrophobicContact CG2-CD1 4.13Å; T776-L780 WeakPolarHBondContact O-CB 3.34Å; T776-L780 VanDerWaalsContact O-CG 3.28Å; T776-L780 WeakPolarHBondContact O-CG 3.27Å; T776-L780 PolarHBondContact O-N 3.05Å; T776-L780 VanDerWaalsContact O-N 3.1Å
777	L	58.8	Low	61.8	Low	75 Å²	75	98.7 Å²	98.7	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-68	-39	174.2	-72.9	173.3	0	0	0	112.5	Y773 S774 L780 V781	Y773-L777 HydrophobicContact CD1-CD1 3.95Å; Y773-L777 HydrophobicContact CE1-CD1 3.57Å; Y773-L777 HydrophobicContact CE1-CG 4.28Å; Y773-L777 HydrophobicContact CE2-CG 4.45Å; Y773-L777 WeakPolarHBondContact O-CG 3.3Å; Y773-L777 PolarHBondContact O-N 2.93Å; S774-L777 CarbonylContact O-C 3.57Å; S774-L777 WeakPolarHBondContact O-CA 3.14Å; S774-L777 WeakPolarHBondContact O-CB 3.42Å; S774-L777 PolarHBondContact O-N 3.36Å; L777-L780 PolarHBondContact O-N 3.04Å; L777-V781 WeakPolarHBondContact O-CB 3.33Å; L777-V781 VanDerWaalsContact O-CG2 3.29Å; L777-V781 WeakPolarHBondContact O-CG2 3.36Å; L777-V781 PolarHBondContact O-N 2.69Å
778	E	64.6	Low	62.3	Low	98 Å²	98	104 Å²	104	46%	0.458	50%	0.496	S	S	.	.	H	α-helix	trans	-57.9	-52	175.9	-72.5	147.7	-144.6	0	0	110.4	S774 R775 L780 V781 E782	S774-E778 WeakPolarHBondContact CB-OE1 3.3Å; S774-E778 VanDerWaalsContact O-CD 3.31Å; S774-E778 WeakPolarHBondContact O-CG 3.28Å; S774-E778 PolarHBondContact O-N 3.18Å; S774-E778 PolarHBondContact OG-OE1 2.67Å; R775-E778 WeakPolarHBondContact CA-OE2 3.35Å; R775-E778 PolarHBondContact O-N 3.48Å; E778-L780 PolarHBondContact O-N 3.08Å; E778-V781 PolarHBondContact O-N 2.7Å; E778-V781 VanDerWaalsContact O-N 3.16Å; E778-E782 WeakPolarHBondContact O-CG 3.43Å; E778-E782 PolarHBondContact O-N 2.87Å
779	C	66.5	Low	63.1	Low	67 Å²	67	102.5 Å²	102.5	45%	0.453	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-36.6	175.5	-64.6	0	0	0	0	113.4	R775 E782 E783	R775-C779 PolarHBondContact O-N 3.08Å; R775-C779 VanDerWaalsContact O-N 3.1Å; R775-C779 PolarHBondContact O-SG 2.86Å; C779-E782 PolarHBondContact O-N 2.93Å; C779-E783 PolarHBondContact O-N 3.12Å
780	L	62.9	Low	63.7	Low	78 Å²	78	100.7 Å²	100.7	41%	0.408	50%	0.499	S	S	.	.	H	α-helix	trans	-67.6	-33.5	174.8	-76	168.2	0	0	0	112.4	T776 L777 E778 R784	T776-L780 HydrophobicContact CG2-CD1 4.13Å; T776-L780 WeakPolarHBondContact O-CB 3.34Å; T776-L780 VanDerWaalsContact O-CG 3.28Å; T776-L780 WeakPolarHBondContact O-CG 3.27Å; T776-L780 PolarHBondContact O-N 3.05Å; T776-L780 VanDerWaalsContact O-N 3.1Å; L777-L780 PolarHBondContact O-N 3.04Å; E778-L780 PolarHBondContact O-N 3.08Å; L780-R784 WeakPolarHBondContact O-CB 3.47Å; L780-R784 PolarHBondContact O-N 2.73Å
781	V	64.3	Low	64.4	Low	90 Å²	90	101.4 Å²	101.4	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-71.7	-38.8	173.4	167.7	0	0	0	0	110.8	L777 E778 R784 T785	L777-V781 WeakPolarHBondContact O-CB 3.33Å; L777-V781 VanDerWaalsContact O-CG2 3.29Å; L777-V781 WeakPolarHBondContact O-CG2 3.36Å; L777-V781 PolarHBondContact O-N 2.69Å; E778-V781 PolarHBondContact O-N 2.7Å; E778-V781 VanDerWaalsContact O-N 3.16Å; V781-R784 PolarHBondContact O-N 2.9Å; V781-T785 HydrophobicContact CG1-CG2 4.5Å; V781-T785 WeakPolarHBondContact O-CB 3.49Å; V781-T785 WeakPolarHBondContact O-CG2 3.05Å; V781-T785 PolarHBondContact O-N 2.92Å; V781-T785 PolarHBondContact O-OG1 3.1Å
782	E	68.6	Low	65.3	Low	133 Å²	133	101.7 Å²	101.7	62%	0.621	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-48	173	-72.5	-177.1	153.3	0	0	111.8	E778 C779 R784 T785 A786	E778-E782 WeakPolarHBondContact O-CG 3.43Å; E778-E782 PolarHBondContact O-N 2.87Å; C779-E782 PolarHBondContact O-N 2.93Å; E782-R784 PolarHBondContact O-N 3.02Å; E782-T785 WeakPolarHBondContact CA-OG1 3.45Å; E782-T785 PolarHBondContact O-N 3.05Å; E782-T785 PolarHBondContact O-OG1 2.78Å; E782-T785 VanDerWaalsContact O-OG1 3.06Å; E782-A786 WeakPolarHBondContact O-CB 3.38Å; E782-A786 PolarHBondContact O-N 3.37Å
783	E	67.7	Low	66.2	Low	76 Å²	76	98.7 Å²	98.7	36%	0.355	48%	0.482	S	S	.	.	H	α-helix	trans	-62.8	-43.5	175.8	-164.6	-166.9	158.6	0	0	111	K485 C779 T785 A786 L787	K485-E783 WeakPolarHBondContact CD-OE1 3.49Å; K485-E783 IonicContact NZ-OE1 2.66Å; K485-E783 PolarHBondContact NZ-OE1 3.41Å; C779-E783 PolarHBondContact O-N 3.12Å; E783-T785 PolarHBondContact O-N 2.95Å; E783-A786 WeakPolarHBondContact O-CB 3.04Å; E783-A786 PolarHBondContact O-N 3.48Å; E783-L787 HydrophobicContact CG-CD1 4.15Å; E783-L787 HydrophobicContact CG-CG 4.41Å; E783-L787 WeakPolarHBondContact O-CG 3.44Å; E783-L787 PolarHBondContact O-N 2.84Å
784	R	61.5	Low	67.2	Low	196 Å²	196	98.1 Å²	98.1	74%	0.74	48%	0.479	S	S	*	.	H	α-helix	trans	-66.8	-35.1	-179.7	-167.8	170.7	-173.9	137.5	1.5	112.7	L780 V781 E782 Y788	L780-R784 WeakPolarHBondContact O-CB 3.47Å; L780-R784 PolarHBondContact O-N 2.73Å; V781-R784 PolarHBondContact O-N 2.9Å; E782-R784 PolarHBondContact O-N 3.02Å; R784-Y788 VanDerWaalsContact O-CB 3.26Å; R784-Y788 WeakPolarHBondContact O-CB 3.27Å; R784-Y788 PolarHBondContact O-N 3.42Å
785	T	70.6	Confident	68.2	Low	83 Å²	83	97.5 Å²	97.5	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-73.8	-32.7	172.3	50.1	0	0	0	0	112.1	V781 E782 E783 K789	V781-T785 HydrophobicContact CG1-CG2 4.5Å; V781-T785 WeakPolarHBondContact O-CB 3.49Å; V781-T785 WeakPolarHBondContact O-CG2 3.05Å; V781-T785 PolarHBondContact O-N 2.92Å; V781-T785 PolarHBondContact O-OG1 3.1Å; E782-T785 WeakPolarHBondContact CA-OG1 3.45Å; E782-T785 PolarHBondContact O-N 3.05Å; E782-T785 PolarHBondContact O-OG1 2.78Å; E782-T785 VanDerWaalsContact O-OG1 3.06Å; E783-T785 PolarHBondContact O-N 2.95Å; T785-K789 WeakPolarHBondContact O-CB 3.44Å; T785-K789 PolarHBondContact O-N 2.66Å
786	A	75	Confident	68.8	Low	58 Å²	58	91.4 Å²	91.4	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-64.8	-42.9	171.2	0	0	0	0	0	112.5	E782 E783 K789 A790	E782-A786 WeakPolarHBondContact O-CB 3.38Å; E782-A786 PolarHBondContact O-N 3.37Å; E783-A786 WeakPolarHBondContact O-CB 3.04Å; E783-A786 PolarHBondContact O-N 3.48Å; A786-K789 PolarHBondContact O-N 2.8Å; A786-A790 WeakPolarHBondContact O-CB 3.48Å; A786-A790 PolarHBondContact O-N 3.25Å
787	L	71.4	Confident	69.8	Low	83 Å²	83	96 Å²	96	44%	0.435	47%	0.469	S	S	.	.	H	α-helix	trans	-67.3	-44.7	175	-68.3	169.4	0	0	0	112	E783 K789 A790 E791	E783-L787 HydrophobicContact CG-CD1 4.15Å; E783-L787 HydrophobicContact CG-CG 4.41Å; E783-L787 WeakPolarHBondContact O-CG 3.44Å; E783-L787 PolarHBondContact O-N 2.84Å; L787-K789 VanDerWaalsContact C-N 3.31Å; L787-K789 PolarHBondContact O-N 2.93Å; L787-A790 PolarHBondContact O-N 3.38Å; L787-E791 PolarHBondContact O-N 3.43Å
788	Y	68.6	Low	70.6	Confident	170 Å²	170	97.1 Å²	97.1	67%	0.667	48%	0.475	S	S	*	.	H	α-helix	trans	-60.7	-41.5	174.6	-179.5	-97.6	0	0	0	111.4	R784 E791 R792	R784-Y788 VanDerWaalsContact O-CB 3.26Å; R784-Y788 WeakPolarHBondContact O-CB 3.27Å; R784-Y788 PolarHBondContact O-N 3.42Å; Y788-E791 PolarHBondContact O-N 3Å; Y788-R792 WeakPolarHBondContact O-CB 3.19Å; Y788-R792 PolarHBondContact O-N 2.99Å
789	K	73.8	Confident	71.2	Confident	125 Å²	125	95.8 Å²	95.8	54%	0.543	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-45.8	172.9	-179.2	178.3	176.4	-175.1	0	111.4	T785 A786 L787 E791 R792 D793	T785-K789 WeakPolarHBondContact O-CB 3.44Å; T785-K789 PolarHBondContact O-N 2.66Å; A786-K789 PolarHBondContact O-N 2.8Å; L787-K789 VanDerWaalsContact C-N 3.31Å; L787-K789 PolarHBondContact O-N 2.93Å; K789-E791 VanDerWaalsContact C-N 3.34Å; K789-E791 PolarHBondContact O-N 2.75Å; K789-R792 PolarHBondContact O-N 2.96Å; K789-D793 WeakPolarHBondContact CG-OD2 3.4Å; K789-D793 WeakPolarHBondContact O-CB 3.44Å; K789-D793 PolarHBondContact O-N 3.14Å
790	A	72.9	Confident	71.6	Confident	54 Å²	54	97 Å²	97	45%	0.446	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-39.9	179.6	0	0	0	0	0	113	A786 L787 R794	A786-A790 WeakPolarHBondContact O-CB 3.48Å; A786-A790 PolarHBondContact O-N 3.25Å; L787-A790 PolarHBondContact O-N 3.38Å; A790-R794 WeakPolarHBondContact O-CB 3.37Å; A790-R794 PolarHBondContact O-N 3.02Å
791	E	69.1	Low	72.1	Confident	110 Å²	110	101 Å²	101	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-78.2	-35.9	178.4	-167	58.2	-155.8	0	0	112.3	L787 Y788 K789 R794 A795	L787-E791 PolarHBondContact O-N 3.43Å; Y788-E791 PolarHBondContact O-N 3Å; K789-E791 VanDerWaalsContact C-N 3.34Å; K789-E791 PolarHBondContact O-N 2.75Å; E791-R794 VanDerWaalsContact O-CB 3.32Å; E791-R794 WeakPolarHBondContact O-CB 3.31Å; E791-R794 PolarHBondContact O-N 3.16Å; E791-R794 WeakPolarHBondContact OE1-CD 3.35Å; E791-R794 VanDerWaalsContact OE2-CD 3.31Å; E791-R794 WeakPolarHBondContact OE2-CD 3.45Å; E791-R794 IonicContact OE2-NH1 3.74Å; E791-A795 PolarHBondContact O-N 2.92Å
792	R	75.8	Confident	72.5	Confident	123 Å²	123	102.9 Å²	102.9	46%	0.464	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-47.7	168.2	-173.1	-158.1	70.5	148.3	6.6	110.8	Y788 K789 R794 A795 D796	Y788-R792 WeakPolarHBondContact O-CB 3.19Å; Y788-R792 PolarHBondContact O-N 2.99Å; K789-R792 PolarHBondContact O-N 2.96Å; R792-R794 PolarHBondContact O-N 2.93Å; R792-A795 PolarHBondContact O-N 3.21Å; R792-D796 WeakPolarHBondContact O-CB 3.4Å; R792-D796 PolarHBondContact O-N 3.33Å
793	D	74.8	Confident	73.2	Confident	42 Å²	42	97.2 Å²	97.2	23%	0.225	47%	0.467	C	S	.	.	H	α-helix	trans	-65.5	-23.7	178.2	-64.2	-4.8	0	0	0	111.1	K789 R797	K789-D793 WeakPolarHBondContact CG-OD2 3.4Å; K789-D793 WeakPolarHBondContact O-CB 3.44Å; K789-D793 PolarHBondContact O-N 3.14Å; D793-R797 WeakPolarHBondContact O-CG 3.41Å; D793-R797 PolarHBondContact O-N 2.99Å; D793-R797 VanDerWaalsContact O-N 3.13Å; D793-R797 PolarHBondContact O-NH1 3.33Å
794	R	75	Confident	73.8	Confident	136 Å²	136	94 Å²	94	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-72.8	-49.9	169.5	-173.8	-171.3	-167.9	158.1	3.2	112.1	A790 E791 R792 D796 R797 L798	A790-R794 WeakPolarHBondContact O-CB 3.37Å; A790-R794 PolarHBondContact O-N 3.02Å; E791-R794 VanDerWaalsContact O-CB 3.32Å; E791-R794 WeakPolarHBondContact O-CB 3.31Å; E791-R794 PolarHBondContact O-N 3.16Å; E791-R794 WeakPolarHBondContact OE1-CD 3.35Å; E791-R794 VanDerWaalsContact OE2-CD 3.31Å; E791-R794 WeakPolarHBondContact OE2-CD 3.45Å; E791-R794 IonicContact OE2-NH1 3.74Å; R792-R794 PolarHBondContact O-N 2.93Å; R794-D796 PolarHBondContact O-N 3.39Å; R794-R797 PolarHBondContact O-N 3.09Å; R794-L798 HydrophobicContact CG-CD1 4.19Å; R794-L798 VanDerWaalsContact O-CD1 3.27Å; R794-L798 WeakPolarHBondContact O-CD1 3.4Å; R794-L798 PolarHBondContact O-N 3.27Å
795	A	72.8	Confident	74.7	Confident	45 Å²	45	86 Å²	86	37%	0.372	43%	0.432	S	S	.	.	H	α-helix	trans	-58.5	-38.8	174.5	0	0	0	0	0	111	E791 R792 L798 N799	E791-A795 PolarHBondContact O-N 2.92Å; R792-A795 PolarHBondContact O-N 3.21Å; A795-L798 PolarHBondContact O-N 3.46Å; A795-N799 PolarHBondContact O-N 3.33Å; A795-N799 PolarHBondContact O-ND2 2.97Å
796	D	75.7	Confident	75.2	Confident	34 Å²	34	84.3 Å²	84.3	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-61.7	-47	175	-80.4	24.9	0	0	0	111.8	R792 R794 L798 N799 F800 K812	R792-D796 WeakPolarHBondContact O-CB 3.4Å; R792-D796 PolarHBondContact O-N 3.33Å; R794-D796 PolarHBondContact O-N 3.39Å; D796-L798 PolarHBondContact O-N 3.16Å; D796-N799 PolarHBondContact O-N 2.95Å; D796-F800 HydrophobicContact CB-CE2 4.1Å; D796-F800 WeakPolarHBondContact O-CD2 3.43Å; D796-F800 WeakPolarHBondContact O-CG 3.12Å; D796-F800 PolarHBondContact O-N 3.24Å; D796-K812 IonicContact OD1-NZ 2.81Å; D796-K812 PolarHBondContact OD1-NZ 3.07Å; D796-K812 IonicContact OD2-NZ 3.84Å; D796-K812 PolarHBondContact OD2-NZ 3.08Å
797	R	75.1	Confident	75.4	Confident	141 Å²	141	81.9 Å²	81.9	53%	0.532	40%	0.401	S	S	.	.	H	α-helix	trans	-56.7	-45.8	173	-77.1	-177.1	-62.7	-85.3	2.4	112.4	D793 R794 N799 F800 M801	D793-R797 WeakPolarHBondContact O-CG 3.41Å; D793-R797 PolarHBondContact O-N 2.99Å; D793-R797 VanDerWaalsContact O-N 3.13Å; D793-R797 PolarHBondContact O-NH1 3.33Å; R794-R797 PolarHBondContact O-N 3.09Å; R797-N799 PolarHBondContact O-N 2.99Å; R797-F800 PolarHBondContact O-N 3.1Å; R797-M801 WeakPolarHBondContact O-CG 3.45Å; R797-M801 PolarHBondContact O-N 3.42Å
798	L	76.2	Confident	76	Confident	98 Å²	98	78.1 Å²	78.1	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-41.3	177.2	-89.8	76.4	0	0	0	112.1	R794 A795 D796 F800 M801 L802	R794-L798 HydrophobicContact CG-CD1 4.19Å; R794-L798 VanDerWaalsContact O-CD1 3.27Å; R794-L798 WeakPolarHBondContact O-CD1 3.4Å; R794-L798 PolarHBondContact O-N 3.27Å; A795-L798 PolarHBondContact O-N 3.46Å; D796-L798 PolarHBondContact O-N 3.16Å; L798-F800 VanDerWaalsContact C-N 3.33Å; L798-F800 PolarHBondContact O-N 3.08Å; L798-M801 PolarHBondContact O-N 3.15Å; L798-M801 VanDerWaalsContact O-N 3.16Å; L798-L802 PolarHBondContact O-N 3.48Å
799	N	77.6	Confident	76.6	Confident	69 Å²	69	76.3 Å²	76.3	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-38.9	176.6	-75.9	-63.6	0	0	0	112.1	A795 D796 R797 M801 L802 L803 V808	A795-N799 PolarHBondContact O-N 3.33Å; A795-N799 PolarHBondContact O-ND2 2.97Å; D796-N799 PolarHBondContact O-N 2.95Å; R797-N799 PolarHBondContact O-N 2.99Å; N799-M801 VanDerWaalsContact C-N 3.25Å; N799-M801 PolarHBondContact O-N 2.94Å; N799-L802 PolarHBondContact O-N 3.43Å; N799-L802 VanDerWaalsContact O-N 3.14Å; N799-L803 PolarHBondContact O-N 2.91Å; N799-V808 HydrophobicContact CB-CG1 3.85Å; N799-V808 HydrophobicContact CB-CG2 4.29Å; N799-V808 WeakPolarHBondContact O-CG2 3.38Å
800	F	75	Confident	77	Confident	93 Å²	93	72.4 Å²	72.4	41%	0.408	36%	0.362	S	S	.	.	H	α-helix	trans	-69.5	-17.3	175.3	-63.1	-46.9	0	0	0	114.3	D796 R797 L798 V808	D796-F800 HydrophobicContact CB-CE2 4.1Å; D796-F800 WeakPolarHBondContact O-CD2 3.43Å; D796-F800 WeakPolarHBondContact O-CG 3.12Å; D796-F800 PolarHBondContact O-N 3.24Å; R797-F800 PolarHBondContact O-N 3.1Å; L798-F800 VanDerWaalsContact C-N 3.33Å; L798-F800 PolarHBondContact O-N 3.08Å; F800-V808 HydrophobicContact CD1-CB 3.83Å; F800-V808 HydrophobicContact CD1-CG1 3.83Å; F800-V808 HydrophobicContact CD1-CG2 3.95Å; F800-V808 HydrophobicContact CE1-CB 3.72Å; F800-V808 HydrophobicContact CE1-CG1 3.55Å; F800-V808 HydrophobicContact CE1-CG2 4.37Å; F800-V808 HydrophobicContact CZ-CG1 4.31Å
801	M	72.1	Confident	77.3	Confident	161 Å²	161	72.2 Å²	72.2	79%	0.793	35%	0.353	S	S	*	.	H	α-helix	trans	-82.4	-17.9	170.5	-66.2	174.5	71.4	0	0	113.1	R797 L798 N799	R797-M801 WeakPolarHBondContact O-CG 3.45Å; R797-M801 PolarHBondContact O-N 3.42Å; L798-M801 PolarHBondContact O-N 3.15Å; L798-M801 VanDerWaalsContact O-N 3.16Å; N799-M801 VanDerWaalsContact C-N 3.25Å; N799-M801 PolarHBondContact O-N 2.94Å
802	L	74.1	Confident	77.7	Confident	131 Å²	131	71.8 Å²	71.8	69%	0.686	35%	0.35	S	S	*	.	H	α-helix	trans	-103	-30.7	-177.4	-67	173.8	0	0	0	113.2	L798 N799	L798-L802 PolarHBondContact O-N 3.48Å; N799-L802 PolarHBondContact O-N 3.43Å; N799-L802 VanDerWaalsContact O-N 3.14Å
803	L	81.9	Confident	77.9	Confident	13 Å²	13	73.1 Å²	73.1	7%	0.068	36%	0.361	C	S	.	.	S	Bend	trans	-142	151.4	-176.7	-71	174.4	0	0	0	111	N799 V807 V808 L811 P940	N799-L803 PolarHBondContact O-N 2.91Å; L803-V807 HydrophobicContact CB-CG1 4.41Å; L803-V808 HydrophobicContact CB-CG2 3.6Å; L803-V808 WeakPolarHBondContact O-CG2 3.42Å; L803-L811 HydrophobicContact CD1-CD1 3.56Å; L803-P940 HydrophobicContact CD1-CB 4.27Å; L803-P940 HydrophobicContact CD1-CG 4.18Å
804	P	81.2	Confident	78	Confident	9 Å²	9	75.4 Å²	75.4	6%	0.058	38%	0.377	C	S	.	.			trans	-62.6	145.8	-176.7	-12.9	20.2	0	0	0	113.8	P806 V807 V808 Y868 P884 Y942	P804-P806 VanDerWaalsContact C-CD 3.45Å; P804-P806 VanDerWaalsContact O-N 3.15Å; P804-V807 HydrophobicContact CB-CB 4.32Å; P804-V807 HydrophobicContact CB-CG2 3.99Å; P804-V807 HydrophobicContact CG-CB 4.29Å; P804-V807 HydrophobicContact CG-CG2 3.82Å; P804-V807 WeakPolarHBondContact O-CA 3.48Å; P804-V807 VanDerWaalsContact O-CB 3.32Å; P804-V807 WeakPolarHBondContact O-CB 3.42Å; P804-V807 PolarHBondContact O-N 2.96Å; P804-V808 PolarHBondContact O-N 3.1Å; P804-Y868 HydrophobicContact CB-CE2 4.19Å; P804-Y868 HydrophobicContact CG-CD2 4.29Å; P804-Y868 HydrophobicContact CG-CE1 4.47Å; P804-Y868 HydrophobicContact CG-CE2 3.61Å; P804-P884 HydrophobicContact CB-CB 4.43Å; P804-P884 HydrophobicContact CB-CG 3.69Å; P804-P884 HydrophobicContact CG-CG 4.33Å; P804-Y942 HydrophobicContact CG-CD1 3.73Å; P804-Y942 HydrophobicContact CG-CD2 4.34Å; P804-Y942 HydrophobicContact CG-CE1 4.01Å; P804-Y942 HydrophobicContact CG-CG 3.9Å
805	G	80.1	Confident	77.9	Confident	28 Å²	28	71.7 Å²	71.7	29%	0.289	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-31.8	-177.4	0	0	0	0	0	117.9	R809	G805-R809 PolarHBondContact O-NE 3.29Å
806	P	81.1	Confident	77.9	Confident	47 Å²	47	79 Å²	79	31%	0.305	40%	0.399	S	S	.	.	H	α-helix	trans	-69.7	-43.8	168.6	-20.4	33.9	0	0	0	112.8	P804 R809 S810 P884	P804-P806 VanDerWaalsContact C-CD 3.45Å; P804-P806 VanDerWaalsContact O-N 3.15Å; P806-R809 PolarHBondContact O-N 3.04Å; P806-S810 PolarHBondContact O-N 2.98Å; P806-P884 HydrophobicContact CG-CG 4.19Å
807	V	80.3	Confident	78.1	Confident	8 Å²	8	78.9 Å²	78.9	5%	0.048	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-45.2	-178.2	177.5	0	0	0	0	111	L803 P804 R809 S810 L811 V817 V934 Y942	L803-V807 HydrophobicContact CB-CG1 4.41Å; P804-V807 HydrophobicContact CB-CB 4.32Å; P804-V807 HydrophobicContact CB-CG2 3.99Å; P804-V807 HydrophobicContact CG-CB 4.29Å; P804-V807 HydrophobicContact CG-CG2 3.82Å; P804-V807 WeakPolarHBondContact O-CA 3.48Å; P804-V807 VanDerWaalsContact O-CB 3.32Å; P804-V807 WeakPolarHBondContact O-CB 3.42Å; P804-V807 PolarHBondContact O-N 2.96Å; V807-R809 VanDerWaalsContact C-N 3.28Å; V807-R809 PolarHBondContact O-N 3.06Å; V807-S810 PolarHBondContact O-N 3.34Å; V807-L811 HydrophobicContact CG1-CD1 4.33Å; V807-L811 WeakPolarHBondContact O-CG 3.14Å; V807-L811 PolarHBondContact O-N 3.48Å; V807-V817 HydrophobicContact CG1-CG1 4.47Å; V807-V817 HydrophobicContact CG1-CG2 4.01Å; V807-V934 HydrophobicContact CG1-CG2 3.35Å; V807-Y942 HydrophobicContact CG1-CD2 4.37Å; V807-Y942 HydrophobicContact CG2-CD2 3.83Å; V807-Y942 HydrophobicContact CG2-CE2 3.65Å
808	V	82.6	Confident	78.3	Confident	4 Å²	4	80.6 Å²	80.6	2%	0.024	41%	0.413	C	S	.	.	H	α-helix	trans	-61.1	-34.4	176.6	172.7	0	0	0	0	112.5	N799 F800 L803 P804 K812	N799-V808 HydrophobicContact CB-CG1 3.85Å; N799-V808 HydrophobicContact CB-CG2 4.29Å; N799-V808 WeakPolarHBondContact O-CG2 3.38Å; F800-V808 HydrophobicContact CD1-CB 3.83Å; F800-V808 HydrophobicContact CD1-CG1 3.83Å; F800-V808 HydrophobicContact CD1-CG2 3.95Å; F800-V808 HydrophobicContact CE1-CB 3.72Å; F800-V808 HydrophobicContact CE1-CG1 3.55Å; F800-V808 HydrophobicContact CE1-CG2 4.37Å; F800-V808 HydrophobicContact CZ-CG1 4.31Å; L803-V808 HydrophobicContact CB-CG2 3.6Å; L803-V808 WeakPolarHBondContact O-CG2 3.42Å; P804-V808 PolarHBondContact O-N 3.1Å; V808-K812 HydrophobicContact CG1-CD 4.35Å; V808-K812 VanDerWaalsContact O-CG 3.29Å; V808-K812 WeakPolarHBondContact O-CG 2.92Å; V808-K812 PolarHBondContact O-N 3.12Å
809	R	81.6	Confident	78.8	Confident	132 Å²	132	80.9 Å²	80.9	50%	0.498	42%	0.421	S	S	.	.	H	α-helix	trans	-73.5	-47.3	176.5	-76.7	179.7	-71.1	159.1	3.1	111.5	G805 P806 V807 L811 K812 E813	G805-R809 PolarHBondContact O-NE 3.29Å; P806-R809 PolarHBondContact O-N 3.04Å; V807-R809 VanDerWaalsContact C-N 3.28Å; V807-R809 PolarHBondContact O-N 3.06Å; R809-L811 VanDerWaalsContact C-N 3.31Å; R809-L811 PolarHBondContact O-N 2.86Å; R809-K812 PolarHBondContact O-N 3.43Å; R809-E813 WeakPolarHBondContact O-CB 3.44Å; R809-E813 WeakPolarHBondContact O-CG 3.29Å; R809-E813 PolarHBondContact O-N 3.45Å
810	S	81.6	Confident	79.3	Confident	42 Å²	42	81.6 Å²	81.6	29%	0.294	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-40.3	176.6	-171.1	0	0	0	0	112.6	P806 V807 K812 E813 T814 R816	P806-S810 PolarHBondContact O-N 2.98Å; V807-S810 PolarHBondContact O-N 3.34Å; S810-K812 PolarHBondContact O-N 3.18Å; S810-E813 PolarHBondContact O-N 2.78Å; S810-T814 PolarHBondContact O-N 2.79Å; S810-T814 PolarHBondContact O-OG1 2.85Å; S810-R816 CarbonylContact C-O 3.46Å; S810-R816 PolarHBondContact OG-O 3.42Å
811	L	79.3	Confident	79.9	Confident	51 Å²	51	82.8 Å²	82.8	27%	0.267	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-38.3	171.9	-76.7	173.9	0	0	0	113.4	L803 V807 R809 G815 V817	L803-L811 HydrophobicContact CD1-CD1 3.56Å; V807-L811 HydrophobicContact CG1-CD1 4.33Å; V807-L811 WeakPolarHBondContact O-CG 3.14Å; V807-L811 PolarHBondContact O-N 3.48Å; R809-L811 VanDerWaalsContact C-N 3.31Å; R809-L811 PolarHBondContact O-N 2.86Å; L811-G815 WeakPolarHBondContact O-CA 3.48Å; L811-G815 PolarHBondContact O-N 2.9Å; L811-V817 HydrophobicContact CD2-CG2 3.73Å; L811-V817 HydrophobicContact CG-CG2 3.61Å
812	K	79	Confident	80.8	Confident	100 Å²	100	75.1 Å²	75.1	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-75	-34.8	178.4	-74.9	172.8	-177.9	-179.6	0	113.2	D796 V808 R809 S810	D796-K812 IonicContact OD1-NZ 2.81Å; D796-K812 PolarHBondContact OD1-NZ 3.07Å; D796-K812 IonicContact OD2-NZ 3.84Å; D796-K812 PolarHBondContact OD2-NZ 3.08Å; V808-K812 HydrophobicContact CG1-CD 4.35Å; V808-K812 VanDerWaalsContact O-CG 3.29Å; V808-K812 WeakPolarHBondContact O-CG 2.92Å; V808-K812 PolarHBondContact O-N 3.12Å; R809-K812 PolarHBondContact O-N 3.43Å; S810-K812 PolarHBondContact O-N 3.18Å
813	E	79.8	Confident	81.5	Confident	151 Å²	151	75.7 Å²	75.7	71%	0.706	39%	0.393	S	S	*	.	H	α-helix	trans	-86.9	-32	-173.9	-70.3	163.9	-158.7	0	0	112.2	R809 S810	R809-E813 WeakPolarHBondContact O-CB 3.44Å; R809-E813 WeakPolarHBondContact O-CG 3.29Å; R809-E813 PolarHBondContact O-N 3.45Å; S810-E813 PolarHBondContact O-N 2.78Å
814	T	75.6	Confident	81.8	Confident	91 Å²	91	79.3 Å²	79.3	56%	0.558	41%	0.41	S	S	*	.	H	α-helix	trans	-125.9	-11	-174.1	75.7	0	0	0	0	114.8	S810 R816	S810-T814 PolarHBondContact O-N 2.79Å; S810-T814 PolarHBondContact O-OG1 2.85Å; T814-R816 PolarHBondContact O-N 3.45Å; T814-R816 PolarHBondContact OG1-N 2.8Å; T814-R816 PolarHBondContact OG1-O 3.34Å
815	G	72.8	Confident	82.4	Confident	57 Å²	57	78.9 Å²	78.9	59%	0.588	41%	0.407	S	S	*	.	S	Bend	trans	71.6	2.1	-174.6	0	0	0	0	0	115.1	L811	L811-G815 WeakPolarHBondContact O-CA 3.48Å; L811-G815 PolarHBondContact O-N 2.9Å
816	R	73.6	Confident	83.1	Confident	199 Å²	199	77.5 Å²	77.5	75%	0.751	39%	0.393	S	S	*	.			trans	-142.4	168.5	-176.5	-61.8	-175	-178.4	177.9	1.2	110.6	S810 T814	S810-R816 CarbonylContact C-O 3.46Å; S810-R816 PolarHBondContact OG-O 3.42Å; T814-R816 PolarHBondContact O-N 3.45Å; T814-R816 PolarHBondContact OG1-N 2.8Å; T814-R816 PolarHBondContact OG1-O 3.34Å
817	V	79.1	Confident	83.7	Confident	32 Å²	32	75.3 Å²	75.3	19%	0.194	38%	0.379	C	S	.	.			trans	-142.2	124.2	170.4	178.4	0	0	0	0	107.7	V807 L811 V934	V807-V817 HydrophobicContact CG1-CG1 4.47Å; V807-V817 HydrophobicContact CG1-CG2 4.01Å; L811-V817 HydrophobicContact CD2-CG2 3.73Å; L811-V817 HydrophobicContact CG-CG2 3.61Å; V817-V934 HydrophobicContact CB-CB 4.27Å; V817-V934 HydrophobicContact CB-CG2 3.89Å; V817-V934 HydrophobicContact CG1-CG2 4.05Å; V817-V934 HydrophobicContact CG2-CG2 4.03Å
818	E	80.6	Confident	84.4	Confident	177 Å²	177	74.9 Å²	74.9	83%	0.827	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-80.8	143	175.3	-58.6	-168.2	151.9	0	0	110.2
819	P	84.9	Confident	84.8	Confident	104 Å²	104	75.9 Å²	75.9	68%	0.675	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-68	133	175.3	-19.2	32.6	0	0	0	112.1	A932	P819-A932 CarbonylContact C-O 3.48Å; P819-A932 VanDerWaalsContact CA-O 3.27Å; P819-A932 WeakPolarHBondContact CA-O 3.33Å
820	E	88.3	Confident	85.3	Confident	84 Å²	84	69.7 Å²	69.7	39%	0.393	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.1	175.6	-179.4	-178.9	167.2	0	0	110.8	F822 R886 A931 A932	E820-F822 HydrophobicContact CB-CD2 4.43Å; E820-F822 HydrophobicContact CB-CE2 3.67Å; E820-F822 HydrophobicContact CB-CZ 4.08Å; E820-F822 HydrophobicContact CG-CD2 4.22Å; E820-F822 HydrophobicContact CG-CE1 4.48Å; E820-F822 HydrophobicContact CG-CE2 3.69Å; E820-F822 HydrophobicContact CG-CZ 3.83Å; E820-F822 WeakPolarHBondContact OE2-CZ 3.38Å; E820-R886 IonicContact OE1-CZ 3.34Å; E820-R886 IonicContact OE1-NE 2.73Å; E820-R886 PolarHBondContact OE1-NE 3.49Å; E820-R886 IonicContact OE1-NH2 2.93Å; E820-R886 PolarHBondContact OE1-NH2 3.26Å; E820-A931 CarbonylContact O-C 3.51Å; E820-A931 WeakPolarHBondContact O-CA 3.47Å; E820-A932 PolarHBondContact N-O 3.08Å; E820-A932 PolarHBondContact O-N 3.37Å
821	L	89.3	Confident	85.7	Confident	117 Å²	117	68.8 Å²	68.8	61%	0.613	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.2	172.9	-179.8	68	0	0	0	110.6	R886 A931	L821-R886 PolarHBondContact O-NH2 2.68Å; L821-A931 HydrophobicContact CD1-CB 4.32Å
822	F	90.6	Very high	86.1	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.5	175.7	-62.1	-98.4	0	0	0	110	E820 V825 G882 L883 R886 P929 C930 A932	E820-F822 HydrophobicContact CB-CD2 4.43Å; E820-F822 HydrophobicContact CB-CE2 3.67Å; E820-F822 HydrophobicContact CB-CZ 4.08Å; E820-F822 HydrophobicContact CG-CD2 4.22Å; E820-F822 HydrophobicContact CG-CE1 4.48Å; E820-F822 HydrophobicContact CG-CE2 3.69Å; E820-F822 HydrophobicContact CG-CZ 3.83Å; E820-F822 WeakPolarHBondContact OE2-CZ 3.38Å; F822-V825 HydrophobicContact CB-CG1 3.51Å; F822-V825 HydrophobicContact CD1-CG1 4.46Å; F822-V825 HydrophobicContact CG-CG1 4.15Å; F822-G882 WeakPolarHBondContact CD1-O 3.16Å; F822-L883 HydrophobicContact CD1-CB 3.99Å; F822-L883 HydrophobicContact CD2-CB 4.41Å; F822-L883 HydrophobicContact CE1-CB 3.94Å; F822-L883 HydrophobicContact CE2-CB 4.37Å; F822-L883 HydrophobicContact CG-CB 4.25Å; F822-L883 HydrophobicContact CZ-CB 4.16Å; F822-R886 HydrophobicContact CD1-CG 3.92Å; F822-R886 HydrophobicContact CE1-CG 4.07Å; F822-P929 VanDerWaalsContact O-CA 3.25Å; F822-P929 WeakPolarHBondContact O-CA 3.38Å; F822-C930 PolarHBondContact N-O 2.93Å; F822-C930 PolarHBondContact O-N 2.88Å; F822-A932 HydrophobicContact CD2-CB 4.11Å; F822-A932 HydrophobicContact CE2-CB 3.79Å
823	E	87.3	Confident	86.4	Confident	142 Å²	142	62.2 Å²	62.2	66%	0.664	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	-43.9	-170	-63.9	173.7	142.3	0	0	112.8	R886 P929	E823-R886 IonicContact OE2-NH1 2.63Å; E823-P929 VanDerWaalsContact O-CA 3.25Å; E823-P929 WeakPolarHBondContact O-CA 3.46Å; E823-P929 VanDerWaalsContact O-CB 3.32Å; E823-P929 WeakPolarHBondContact O-CB 3.45Å
824	E	88.7	Confident	86.4	Confident	89 Å²	89	55.8 Å²	55.8	42%	0.416	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.3	167.5	-63.7	-165.8	142.1	0	0	108.8	H891 R976	E824-H891 WeakPolarHBondContact CB-NE2 3.44Å; E824-H891 PolarHBondContact O-NE2 3.29Å; E824-R976 IonicContact OE2-NH1 3.04Å
825	V	93.6	Very high	86.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.8	167.9	-58.9	0	0	0	0	108.2	F822 I827 S881 L883 S927 G928 C930	F822-V825 HydrophobicContact CB-CG1 3.51Å; F822-V825 HydrophobicContact CD1-CG1 4.46Å; F822-V825 HydrophobicContact CG-CG1 4.15Å; V825-I827 HydrophobicContact CG2-CD1 4.39Å; V825-I827 HydrophobicContact CG2-CG1 4.16Å; V825-S881 WeakPolarHBondContact CA-O 3.36Å; V825-S881 WeakPolarHBondContact CB-O 3.25Å; V825-L883 HydrophobicContact CB-CD2 4.15Å; V825-L883 HydrophobicContact CG1-CB 4.28Å; V825-L883 HydrophobicContact CG1-CD2 3.89Å; V825-L883 HydrophobicContact CG2-CD2 4.27Å; V825-S927 CarbonylContact O-C 3.52Å; V825-S927 WeakPolarHBondContact O-CA 2.86Å; V825-G928 VanDerWaalsContact CG2-O 3.29Å; V825-G928 WeakPolarHBondContact CG2-O 3.36Å; V825-G928 PolarHBondContact N-O 3.22Å; V825-G928 PolarHBondContact O-N 3.08Å; V825-C930 HydrophobicContact CG2-CB 4.21Å; V825-C930 VanDerWaalsContact CG2-SG 3.58Å
826	T	94.8	Very high	87.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.8	168.1	-61	0	0	0	0	109.6	A880 S881 H891 A892 I895 V925 S927 T970	T826-A880 WeakPolarHBondContact O-CA 3.5Å; T826-S881 PolarHBondContact N-O 3.41Å; T826-S881 PolarHBondContact O-N 2.9Å; T826-H891 PolarHBondContact N-ND1 3.37Å; T826-H891 PolarHBondContact OG1-ND1 2.66Å; T826-A892 WeakPolarHBondContact OG1-CA 3.49Å; T826-A892 PolarHBondContact OG1-N 3.49Å; T826-I895 HydrophobicContact CG2-CB 3.83Å; T826-I895 HydrophobicContact CG2-CG1 3.88Å; T826-I895 HydrophobicContact CG2-CG2 3.8Å; T826-V925 HydrophobicContact CG2-CG1 3.42Å; T826-V925 VanDerWaalsContact CG2-CG1 3.42Å; T826-S927 PolarHBondContact OG1-OG 2.8Å; T826-T970 HydrophobicContact CG2-CG2 4.41Å
827	I	94.4	Very high	87.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.2	178.5	-56	-174.1	0	0	0	109.5	V825 F829 M878 A880 V925 H926 L944 T948 V949 A952	V825-I827 HydrophobicContact CG2-CD1 4.39Å; V825-I827 HydrophobicContact CG2-CG1 4.16Å; I827-F829 HydrophobicContact CG2-CD2 3.88Å; I827-F829 HydrophobicContact CG2-CE2 3.74Å; I827-M878 HydrophobicContact CD1-CE 4.36Å; I827-M878 HydrophobicContact CG2-CE 3.68Å; I827-M878 HydrophobicContact CG2-CG 4.47Å; I827-A880 HydrophobicContact CG1-CB 4.25Å; I827-V925 WeakPolarHBondContact O-CA 3.29Å; I827-H926 PolarHBondContact N-O 3.07Å; I827-H926 PolarHBondContact O-N 3.32Å; I827-L944 HydrophobicContact CD1-CD1 4.26Å; I827-T948 HydrophobicContact CD1-CG2 3.97Å; I827-T948 HydrophobicContact CG1-CG2 4.21Å; I827-V949 HydrophobicContact CD1-CB 4.43Å; I827-V949 HydrophobicContact CD1-CG2 3.71Å; I827-A952 HydrophobicContact CB-CB 3.95Å; I827-A952 HydrophobicContact CG2-CB 3.9Å
828	Y	94.2	Very high	87.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.6	172.9	175.7	-82.8	0	0	0	109.4	S830 Y877 M878 V879 I895 M898 A899 L902 I923 V925	Y828-S830 VanDerWaalsContact CE1-CB 3.5Å; Y828-Y877 HydrophobicContact CE1-CD1 4.29Å; Y828-M878 WeakPolarHBondContact O-CA 3.21Å; Y828-V879 HydrophobicContact CD1-CB 4.35Å; Y828-V879 HydrophobicContact CD1-CG2 4.01Å; Y828-V879 PolarHBondContact N-O 2.97Å; Y828-V879 PolarHBondContact O-N 2.84Å; Y828-I895 HydrophobicContact CD2-CG2 4.27Å; Y828-M898 HydrophobicContact CD2-SD 4.44Å; Y828-M898 HydrophobicContact CE2-SD 4.46Å; Y828-A899 HydrophobicContact CD2-CB 4.05Å; Y828-A899 HydrophobicContact CE2-CB 3.71Å; Y828-L902 HydrophobicContact CE1-CD1 4.18Å; Y828-L902 HydrophobicContact CE2-CD1 4.32Å; Y828-L902 WeakPolarHBondContact OH-CD1 3.34Å; Y828-I923 HydrophobicContact CD2-CG2 3.9Å; Y828-I923 HydrophobicContact CE2-CB 4.41Å; Y828-I923 HydrophobicContact CE2-CD1 4.21Å; Y828-I923 HydrophobicContact CE2-CG1 4.2Å; Y828-I923 HydrophobicContact CE2-CG2 3.4Å; Y828-V925 HydrophobicContact CD2-CG2 4.19Å
829	F	92.4	Very high	87.8	Confident	24 Å²	24	41.1 Å²	41.1	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139	164.1	-86.6	-89.2	0	0	0	109.6	I827 M878 I923 G924 V949 A952 E956	I827-F829 HydrophobicContact CG2-CD2 3.88Å; I827-F829 HydrophobicContact CG2-CE2 3.74Å; F829-M878 HydrophobicContact CD1-CB 4.29Å; F829-M878 HydrophobicContact CD1-CG 4.26Å; F829-M878 HydrophobicContact CD2-CG 4.45Å; F829-M878 HydrophobicContact CE1-CB 4.03Å; F829-M878 HydrophobicContact CE1-CG 3.81Å; F829-M878 HydrophobicContact CE1-SD 3.93Å; F829-M878 HydrophobicContact CE2-CE 3.83Å; F829-M878 HydrophobicContact CE2-CG 4.04Å; F829-M878 HydrophobicContact CE2-SD 4.13Å; F829-M878 HydrophobicContact CZ-CB 4.43Å; F829-M878 HydrophobicContact CZ-CE 3.73Å; F829-M878 HydrophobicContact CZ-CG 3.7Å; F829-M878 HydrophobicContact CZ-SD 3.48Å; F829-M878 WeakPolarHBondContact CZ-SD 3.14Å; F829-I923 WeakPolarHBondContact O-CA 3.36Å; F829-G924 PolarHBondContact N-O 3.34Å; F829-G924 PolarHBondContact O-N 2.99Å; F829-V949 HydrophobicContact CE2-CG1 4.1Å; F829-V949 HydrophobicContact CZ-CG1 3.97Å; F829-A952 HydrophobicContact CD2-CB 3.6Å; F829-A952 HydrophobicContact CE2-CB 3.96Å; F829-E956 HydrophobicContact CB-CB 3.84Å; F829-E956 HydrophobicContact CB-CG 4.21Å
830	S	90.9	Very high	87.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.3	169.6	-179.1	0	0	0	0	111.1	Y828 A876 Y877 R922	Y828-S830 VanDerWaalsContact CE1-CB 3.5Å; S830-A876 WeakPolarHBondContact O-CA 3.39Å; S830-Y877 PolarHBondContact N-O 3.41Å; S830-Y877 PolarHBondContact O-N 2.78Å; S830-R922 WeakPolarHBondContact CA-O 3.49Å; S830-R922 PolarHBondContact OG-O 3.3Å
831	D	90.6	Very high	87.2	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.3	173.5	176.6	44.5	0	0	0	110.9	I921 R922 E956	D831-I921 CarbonylContact O-C 3.55Å; D831-I921 WeakPolarHBondContact O-CA 3.4Å; D831-I921 WeakPolarHBondContact O-CB 3.43Å; D831-R922 PolarHBondContact N-O 2.99Å; D831-R922 VanDerWaalsContact N-O 3.11Å; D831-R922 PolarHBondContact O-N 2.98Å; D831-R922 IonicContact OD2-CZ 2.97Å; D831-R922 IonicContact OD2-NH1 3.77Å; D831-R922 PolarHBondContact OD2-NH1 2.89Å; D831-R922 IonicContact OD2-NH2 2.64Å; D831-R922 PolarHBondContact OD2-NH2 2.92Å; D831-E956 HydrophobicContact CB-CG 4.07Å; D831-E956 WeakPolarHBondContact CB-OE1 3.32Å
832	I	88.1	Confident	86.7	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.9	176.3	-63.8	171.4	0	0	0	109.6	G834 F835 L838 L851 I854 D875 L919 I921	I832-G834 PolarHBondContact O-N 3.19Å; I832-G834 VanDerWaalsContact O-N 3.09Å; I832-F835 HydrophobicContact CB-CB 4.04Å; I832-F835 HydrophobicContact CD1-CD2 4.39Å; I832-F835 HydrophobicContact CG2-CB 4.01Å; I832-F835 HydrophobicContact CG2-CD2 4.42Å; I832-F835 WeakPolarHBondContact O-CB 3.37Å; I832-F835 PolarHBondContact O-N 3.23Å; I832-F835 VanDerWaalsContact O-N 3.11Å; I832-L838 HydrophobicContact CG2-CD1 4.47Å; I832-L851 HydrophobicContact CD1-CD2 4.24Å; I832-I854 HydrophobicContact CD1-CD1 4.02Å; I832-D875 HydrophobicContact CB-CB 4.33Å; I832-D875 HydrophobicContact CD1-CB 4.46Å; I832-L919 HydrophobicContact CG2-CD1 3.73Å; I832-I921 HydrophobicContact CG1-CG2 4.36Å
833	V	85.3	Confident	86.4	Confident	8 Å²	8	41.9 Å²	41.9	5%	0.048	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	113.6	-176.3	-175.4	0	0	0	0	110.5	W920 R922 P961 F1021	V833-W920 HydrophobicContact CB-CB 3.98Å; V833-W920 HydrophobicContact CG1-CE3 4.5Å; V833-W920 HydrophobicContact CG2-CB 4.2Å; V833-W920 PolarHBondContact N-O 3.48Å; V833-R922 HydrophobicContact CG2-CG 3.72Å; V833-P961 HydrophobicContact CG2-CB 4.25Å; V833-P961 HydrophobicContact CG2-CG 4.31Å; V833-F1021 HydrophobicContact CG1-CE2 3.92Å; V833-F1021 HydrophobicContact CG1-CZ 3.73Å
834	G	79.7	Confident	86.2	Confident	16 Å²	16	40.3 Å²	40.3	17%	0.165	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	13.6	179.9	0	0	0	0	0	114.6	I832 T836 T837 L838	I832-G834 PolarHBondContact O-N 3.19Å; I832-G834 VanDerWaalsContact O-N 3.09Å; G834-T836 VanDerWaalsContact C-N 3.25Å; G834-T836 PolarHBondContact O-N 3.06Å; G834-T837 WeakPolarHBondContact O-CA 3.38Å; G834-T837 VanDerWaalsContact O-CB 3.3Å; G834-T837 WeakPolarHBondContact O-CB 3.32Å; G834-T837 PolarHBondContact O-N 3.11Å; G834-L838 PolarHBondContact O-N 3.29Å
835	F	84.8	Confident	85.9	Confident	26 Å²	26	42.2 Å²	42.2	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-51.7	-40	176.8	-179.7	-103.6	0	0	0	113.8	I832 T837 L838 C839 V847 M850 L851 D875	I832-F835 HydrophobicContact CB-CB 4.04Å; I832-F835 HydrophobicContact CD1-CD2 4.39Å; I832-F835 HydrophobicContact CG2-CB 4.01Å; I832-F835 HydrophobicContact CG2-CD2 4.42Å; I832-F835 WeakPolarHBondContact O-CB 3.37Å; I832-F835 PolarHBondContact O-N 3.23Å; I832-F835 VanDerWaalsContact O-N 3.11Å; F835-T837 VanDerWaalsContact C-N 3.26Å; F835-T837 PolarHBondContact O-N 2.89Å; F835-L838 PolarHBondContact O-N 2.87Å; F835-C839 WeakPolarHBondContact CE1-SG 3.25Å; F835-C839 WeakPolarHBondContact CZ-SG 3.4Å; F835-C839 WeakPolarHBondContact O-CB 3.25Å; F835-C839 PolarHBondContact O-N 2.96Å; F835-C839 PolarHBondContact O-SG 2.57Å; F835-V847 HydrophobicContact CE2-CG1 4.23Å; F835-V847 HydrophobicContact CZ-CG1 4.02Å; F835-M850 HydrophobicContact CD2-CE 4.03Å; F835-M850 HydrophobicContact CE2-CE 3.73Å; F835-L851 HydrophobicContact CE2-CD1 4.21Å; F835-L851 HydrophobicContact CE2-CD2 3.82Å; F835-L851 HydrophobicContact CE2-CG 4.16Å; F835-L851 HydrophobicContact CZ-CD1 4.01Å; F835-L851 HydrophobicContact CZ-CD2 4.33Å; F835-L851 HydrophobicContact CZ-CG 4.46Å; F835-D875 HydrophobicContact CB-CB 4.03Å; F835-D875 VanDerWaalsContact CB-OD2 3.27Å; F835-D875 WeakPolarHBondContact CB-OD2 3.41Å; F835-D875 HydrophobicContact CD1-CB 3.63Å; F835-D875 WeakPolarHBondContact CD1-OD2 3.36Å; F835-D875 HydrophobicContact CD2-CB 3.99Å; F835-D875 HydrophobicContact CE1-CB 4Å; F835-D875 HydrophobicContact CE2-CB 4.34Å; F835-D875 HydrophobicContact CG-CB 3.62Å; F835-D875 WeakPolarHBondContact CG-OD2 3.4Å; F835-D875 HydrophobicContact CZ-CB 4.34Å
836	T	84.1	Confident	85.4	Confident	115 Å²	115	45.2 Å²	45.2	71%	0.706	25%	0.247	S	C	*	.	H	α-helix	trans	-59.5	-35.8	174.8	-42.9	0	0	0	0	112.5	G834 H840	G834-T836 VanDerWaalsContact C-N 3.25Å; G834-T836 PolarHBondContact O-N 3.06Å; T836-H840 PolarHBondContact O-N 2.86Å
837	T	79.7	Confident	84.9	Confident	50 Å²	50	46.1 Å²	46.1	31%	0.307	25%	0.252	S	S	.	.	H	α-helix	trans	-71.7	-44.1	175.5	-49	0	0	0	0	110.8	G834 F835 C839 H840 Y841 A1029 I1032	G834-T837 WeakPolarHBondContact O-CA 3.38Å; G834-T837 VanDerWaalsContact O-CB 3.3Å; G834-T837 WeakPolarHBondContact O-CB 3.32Å; G834-T837 PolarHBondContact O-N 3.11Å; F835-T837 VanDerWaalsContact C-N 3.26Å; F835-T837 PolarHBondContact O-N 2.89Å; T837-C839 VanDerWaalsContact C-N 3.32Å; T837-C839 PolarHBondContact O-N 2.91Å; T837-H840 WeakPolarHBondContact O-CB 3.47Å; T837-H840 PolarHBondContact O-N 2.92Å; T837-Y841 HydrophobicContact CG2-CD2 4.1Å; T837-Y841 HydrophobicContact CG2-CE2 3.9Å; T837-Y841 VanDerWaalsContact O-CD2 3.28Å; T837-Y841 WeakPolarHBondContact O-CD2 3.31Å; T837-Y841 PolarHBondContact O-N 3.02Å; T837-A1029 HydrophobicContact CG2-CB 4.49Å; T837-I1032 HydrophobicContact CG2-CD1 4.32Å
838	L	79.8	Confident	84.5	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-45.2	174.1	-68.1	168.9	0	0	0	111.1	I832 G834 F835 H840 Y841 S842 M850 L914 I1032	I832-L838 HydrophobicContact CG2-CD1 4.47Å; G834-L838 PolarHBondContact O-N 3.29Å; F835-L838 PolarHBondContact O-N 2.87Å; L838-H840 PolarHBondContact O-N 3.14Å; L838-Y841 PolarHBondContact O-N 2.79Å; L838-Y841 VanDerWaalsContact O-N 3.15Å; L838-S842 WeakPolarHBondContact O-CB 3.36Å; L838-S842 PolarHBondContact O-N 2.84Å; L838-M850 HydrophobicContact CD1-SD 4.49Å; L838-L914 HydrophobicContact CD2-CD1 4Å; L838-I1032 HydrophobicContact CD2-CD1 3.79Å; L838-I1032 HydrophobicContact CD2-CG1 4.34Å
839	C	83.3	Confident	83.9	Confident	48 Å²	48	53.7 Å²	53.7	32%	0.324	30%	0.295	S	S	.	.	H	α-helix	trans	-67.9	-15.6	176.5	-65.7	0	0	0	0	114.6	F835 T837 V847	F835-C839 WeakPolarHBondContact CE1-SG 3.25Å; F835-C839 WeakPolarHBondContact CZ-SG 3.4Å; F835-C839 WeakPolarHBondContact O-CB 3.25Å; F835-C839 PolarHBondContact O-N 2.96Å; F835-C839 PolarHBondContact O-SG 2.57Å; T837-C839 VanDerWaalsContact C-N 3.32Å; T837-C839 PolarHBondContact O-N 2.91Å; C839-V847 HydrophobicContact CB-CG2 4.48Å
840	H	81.6	Confident	83.5	Confident	148 Å²	148	52.8 Å²	52.8	69%	0.685	29%	0.292	S	S	*	.	H	α-helix	trans	-80.2	-27	173.7	-170.5	73.9	0	0	0	112.2	T836 T837 L838	T836-H840 PolarHBondContact O-N 2.86Å; T837-H840 WeakPolarHBondContact O-CB 3.47Å; T837-H840 PolarHBondContact O-N 2.92Å; L838-H840 PolarHBondContact O-N 3.14Å
841	Y	77.4	Confident	83.3	Confident	90 Å²	90	53.9 Å²	53.9	35%	0.353	30%	0.297	S	S	.	.	H	α-helix	trans	-108.6	-24.4	-174.5	-69.7	-69.9	0	0	0	114.4	T837 L838 I1032 V1033 L1036	T837-Y841 HydrophobicContact CG2-CD2 4.1Å; T837-Y841 HydrophobicContact CG2-CE2 3.9Å; T837-Y841 VanDerWaalsContact O-CD2 3.28Å; T837-Y841 WeakPolarHBondContact O-CD2 3.31Å; T837-Y841 PolarHBondContact O-N 3.02Å; L838-Y841 PolarHBondContact O-N 2.79Å; L838-Y841 VanDerWaalsContact O-N 3.15Å; Y841-I1032 HydrophobicContact CD1-CG2 4.48Å; Y841-I1032 HydrophobicContact CD2-CG2 3.84Å; Y841-I1032 HydrophobicContact CG-CG2 3.73Å; Y841-V1033 HydrophobicContact CE1-CG2 3.93Å; Y841-L1036 HydrophobicContact CD1-CD1 4.45Å
842	S	80.4	Confident	83.1	Confident	12 Å²	12	57.4 Å²	57.4	8%	0.084	32%	0.316	C	S	.	.	S	Bend	trans	-92.4	152	174.1	-63.3	0	0	0	0	112.5	L838 H913	L838-S842 WeakPolarHBondContact O-CB 3.36Å; L838-S842 PolarHBondContact O-N 2.84Å; S842-H913 PolarHBondContact OG-CD2 2.81Å; S842-H913 PolarHBondContact OG-NE2 3.5Å; S842-H913 VanDerWaalsContact OG-NE2 3.13Å
843	T	83.8	Confident	82.9	Confident	73 Å²	73	60.2 Å²	60.2	45%	0.448	33%	0.329	S	S	.	.			trans	-75.3	157.8	175	67.7	0	0	0	0	112	M845 E846 V847	T843-M845 PolarHBondContact O-N 2.8Å; T843-M845 VanDerWaalsContact O-N 3.07Å; T843-E846 VanDerWaalsContact CB-OE2 3.24Å; T843-E846 WeakPolarHBondContact CB-OE2 3.49Å; T843-E846 VanDerWaalsContact CG2-OE2 3.3Å; T843-E846 WeakPolarHBondContact CG2-OE2 3.14Å; T843-E846 PolarHBondContact N-OE2 3.19Å; T843-E846 PolarHBondContact O-N 2.85Å; T843-E846 VanDerWaalsContact O-N 3.07Å; T843-E846 WeakPolarHBondContact OG1-CG 3.19Å; T843-E846 PolarHBondContact OG1-OE2 3.43Å; T843-V847 WeakPolarHBondContact O-CG2 3.38Å; T843-V847 PolarHBondContact O-N 3.36Å
844	P	82.6	Confident	82.9	Confident	109 Å²	109	59.9 Å²	59.9	71%	0.708	33%	0.327	S	S	*	.	H	α-helix	trans	-57.6	-25.6	-179.4	-28.2	36.3	0	0	0	115.3	V848	P844-V848 WeakPolarHBondContact O-CG2 3.4Å; P844-V848 PolarHBondContact O-N 3.35Å
845	M	83	Confident	83.3	Confident	129 Å²	129	60.2 Å²	60.2	64%	0.635	32%	0.323	S	S	*	.	H	α-helix	trans	-77	-45	175.1	-160.7	67.7	66.4	0	0	111.2	T843 V847 V848 D849	T843-M845 PolarHBondContact O-N 2.8Å; T843-M845 VanDerWaalsContact O-N 3.07Å; M845-V847 PolarHBondContact O-N 3.27Å; M845-V848 PolarHBondContact O-N 3.47Å; M845-D849 PolarHBondContact O-N 3.26Å
846	E	83.4	Confident	83.4	Confident	63 Å²	63	66.1 Å²	66.1	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-33	176.6	-68.5	156.6	154.6	0	0	111.7	T843 M850	T843-E846 VanDerWaalsContact CB-OE2 3.24Å; T843-E846 WeakPolarHBondContact CB-OE2 3.49Å; T843-E846 VanDerWaalsContact CG2-OE2 3.3Å; T843-E846 WeakPolarHBondContact CG2-OE2 3.14Å; T843-E846 PolarHBondContact N-OE2 3.19Å; T843-E846 PolarHBondContact O-N 2.85Å; T843-E846 VanDerWaalsContact O-N 3.07Å; T843-E846 WeakPolarHBondContact OG1-CG 3.19Å; T843-E846 PolarHBondContact OG1-OE2 3.43Å; E846-M850 WeakPolarHBondContact O-CB 3.36Å; E846-M850 PolarHBondContact O-N 2.81Å
847	V	84.2	Confident	83.5	Confident	18 Å²	18	63.3 Å²	63.3	11%	0.109	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-40.7	171.9	174.4	0	0	0	0	112.2	F835 C839 T843 M845 M850 L851	F835-V847 HydrophobicContact CE2-CG1 4.23Å; F835-V847 HydrophobicContact CZ-CG1 4.02Å; C839-V847 HydrophobicContact CB-CG2 4.48Å; T843-V847 WeakPolarHBondContact O-CG2 3.38Å; T843-V847 PolarHBondContact O-N 3.36Å; M845-V847 PolarHBondContact O-N 3.27Å; V847-M850 HydrophobicContact CG1-CE 4.46Å; V847-L851 HydrophobicContact CG1-CD1 4.36Å; V847-L851 WeakPolarHBondContact O-CG 3.37Å; V847-L851 PolarHBondContact O-N 3.05Å
848	V	84.5	Confident	84	Confident	72 Å²	72	61 Å²	61	44%	0.436	32%	0.315	S	S	.	.	H	α-helix	trans	-67.4	-44.2	176.3	166	0	0	0	0	111.1	P844 M845 L851 N852	P844-V848 WeakPolarHBondContact O-CG2 3.4Å; P844-V848 PolarHBondContact O-N 3.35Å; M845-V848 PolarHBondContact O-N 3.47Å; V848-L851 PolarHBondContact O-N 2.79Å; V848-N852 WeakPolarHBondContact O-CB 3.2Å; V848-N852 VanDerWaalsContact O-CG 3.28Å; V848-N852 PolarHBondContact O-N 2.98Å; V848-N852 PolarHBondContact O-ND2 2.94Å; V848-N852 VanDerWaalsContact O-ND2 3.11Å
849	D	83.5	Confident	84.4	Confident	88 Å²	88	63.1 Å²	63.1	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.3	-69.9	-30.9	0	0	0	110.9	M845 L851 N852 E853	M845-D849 PolarHBondContact O-N 3.26Å; D849-L851 PolarHBondContact O-N 2.85Å; D849-N852 PolarHBondContact O-N 2.92Å; D849-E853 WeakPolarHBondContact O-CG 3.48Å; D849-E853 PolarHBondContact O-N 3.25Å
850	M	83.7	Confident	84.6	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-54.5	-51.9	172.9	174.1	175.2	72.4	0	0	112.9	F835 L838 E846 V847 N852 E853 I854 L911	F835-M850 HydrophobicContact CD2-CE 4.03Å; F835-M850 HydrophobicContact CE2-CE 3.73Å; L838-M850 HydrophobicContact CD1-SD 4.49Å; E846-M850 WeakPolarHBondContact O-CB 3.36Å; E846-M850 PolarHBondContact O-N 2.81Å; V847-M850 HydrophobicContact CG1-CE 4.46Å; M850-N852 VanDerWaalsContact C-N 3.31Å; M850-N852 PolarHBondContact O-N 2.83Å; M850-E853 PolarHBondContact O-N 3.09Å; M850-I854 HydrophobicContact CG-CD1 3.77Å; M850-I854 WeakPolarHBondContact O-CG1 3.47Å; M850-I854 PolarHBondContact O-N 2.91Å; M850-L911 HydrophobicContact CG-CD2 3.83Å; M850-L911 HydrophobicContact SD-CD1 4.16Å; M850-L911 HydrophobicContact SD-CD2 3.93Å
851	L	86.3	Confident	84.9	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-38.8	-180	-73.1	174.6	0	0	0	111.4	I832 F835 V847 V848 D849 I854 Y855	I832-L851 HydrophobicContact CD1-CD2 4.24Å; F835-L851 HydrophobicContact CE2-CD1 4.21Å; F835-L851 HydrophobicContact CE2-CD2 3.82Å; F835-L851 HydrophobicContact CE2-CG 4.16Å; F835-L851 HydrophobicContact CZ-CD1 4.01Å; F835-L851 HydrophobicContact CZ-CD2 4.33Å; F835-L851 HydrophobicContact CZ-CG 4.46Å; V847-L851 HydrophobicContact CG1-CD1 4.36Å; V847-L851 WeakPolarHBondContact O-CG 3.37Å; V847-L851 PolarHBondContact O-N 3.05Å; V848-L851 PolarHBondContact O-N 2.79Å; D849-L851 PolarHBondContact O-N 2.85Å; L851-I854 PolarHBondContact O-N 3.4Å; L851-Y855 HydrophobicContact CB-CD2 4.32Å; L851-Y855 HydrophobicContact CB-CE2 4.14Å; L851-Y855 HydrophobicContact CD2-CE2 4.06Å; L851-Y855 VanDerWaalsContact O-CB 3.29Å; L851-Y855 WeakPolarHBondContact O-CB 3.29Å; L851-Y855 VanDerWaalsContact O-CD2 3.31Å; L851-Y855 WeakPolarHBondContact O-CD2 3.45Å; L851-Y855 VanDerWaalsContact O-CG 3.24Å; L851-Y855 PolarHBondContact O-N 2.89Å
852	N	85.8	Confident	85.5	Confident	96 Å²	96	54.5 Å²	54.5	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-41.5	174.4	-76	-36.2	0	0	0	112.1	V848 D849 M850 K856	V848-N852 WeakPolarHBondContact O-CB 3.2Å; V848-N852 VanDerWaalsContact O-CG 3.28Å; V848-N852 PolarHBondContact O-N 2.98Å; V848-N852 PolarHBondContact O-ND2 2.94Å; V848-N852 VanDerWaalsContact O-ND2 3.11Å; D849-N852 PolarHBondContact O-N 2.92Å; M850-N852 VanDerWaalsContact C-N 3.31Å; M850-N852 PolarHBondContact O-N 2.83Å; N852-K856 WeakPolarHBondContact O-CB 3.11Å; N852-K856 PolarHBondContact O-N 3.08Å
853	E	84.6	Confident	85.7	Confident	64 Å²	64	60.7 Å²	60.7	30%	0.299	33%	0.325	S	S	.	.	H	α-helix	trans	-69.8	-41.8	178	-63.6	-143.3	123.1	0	0	112.7	D849 M850 N857 F909 Q912	D849-E853 WeakPolarHBondContact O-CG 3.48Å; D849-E853 PolarHBondContact O-N 3.25Å; M850-E853 PolarHBondContact O-N 3.09Å; E853-N857 PolarHBondContact O-N 2.7Å; E853-N857 PolarHBondContact O-ND2 3.02Å; E853-F909 HydrophobicContact CB-CZ 4.3Å; E853-Q912 PolarHBondContact OE1-NE2 3.16Å; E853-Q912 WeakPolarHBondContact OE2-CG 3.33Å; E853-Q912 PolarHBondContact OE2-NE2 3.47Å
854	I	85.3	Confident	85.9	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-54.6	175.1	-66.7	167.1	0	0	0	109.9	I832 M850 L851 K856 N857 F858 F909 L911 L919	I832-I854 HydrophobicContact CD1-CD1 4.02Å; M850-I854 HydrophobicContact CG-CD1 3.77Å; M850-I854 WeakPolarHBondContact O-CG1 3.47Å; M850-I854 PolarHBondContact O-N 2.91Å; L851-I854 PolarHBondContact O-N 3.4Å; I854-K856 PolarHBondContact O-N 2.6Å; I854-N857 PolarHBondContact O-N 2.67Å; I854-F858 HydrophobicContact CG2-CD1 4.16Å; I854-F858 HydrophobicContact CG2-CD2 4.25Å; I854-F858 HydrophobicContact CG2-CE1 3.78Å; I854-F858 HydrophobicContact CG2-CE2 3.88Å; I854-F858 HydrophobicContact CG2-CG 4.39Å; I854-F858 HydrophobicContact CG2-CZ 3.63Å; I854-F858 WeakPolarHBondContact O-CD1 3.42Å; I854-F858 PolarHBondContact O-N 3.28Å; I854-F909 HydrophobicContact CD1-CE1 4.39Å; I854-F909 HydrophobicContact CG1-CD1 4.43Å; I854-F909 HydrophobicContact CG1-CE1 3.54Å; I854-F909 HydrophobicContact CG1-CZ 4.01Å; I854-L911 HydrophobicContact CD1-CD2 4.49Å; I854-L919 HydrophobicContact CD1-CD1 4.43Å; I854-L919 HydrophobicContact CD1-CD2 3.86Å; I854-L919 HydrophobicContact CG1-CD2 4.15Å
855	Y	87.3	Confident	86.1	Confident	23 Å²	23	61 Å²	61	9%	0.09	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-31.8	-175.6	-63	-26.6	0	0	0	113.2	L851 N857 F858 D859 G874 D875 Y877	L851-Y855 HydrophobicContact CB-CD2 4.32Å; L851-Y855 HydrophobicContact CB-CE2 4.14Å; L851-Y855 HydrophobicContact CD2-CE2 4.06Å; L851-Y855 VanDerWaalsContact O-CB 3.29Å; L851-Y855 WeakPolarHBondContact O-CB 3.29Å; L851-Y855 VanDerWaalsContact O-CD2 3.31Å; L851-Y855 WeakPolarHBondContact O-CD2 3.45Å; L851-Y855 VanDerWaalsContact O-CG 3.24Å; L851-Y855 PolarHBondContact O-N 2.89Å; Y855-N857 VanDerWaalsContact C-N 3.34Å; Y855-N857 PolarHBondContact O-N 3.08Å; Y855-F858 HydrophobicContact CD1-CD2 4.35Å; Y855-F858 PolarHBondContact O-N 2.98Å; Y855-D859 VanDerWaalsContact O-CB 3.27Å; Y855-D859 WeakPolarHBondContact O-CB 3.33Å; Y855-D859 PolarHBondContact O-N 2.92Å; Y855-D859 VanDerWaalsContact O-OD1 3.11Å; Y855-G874 PolarHBondContact OH-O 3.3Å; Y855-D875 PolarHBondContact OH-O 2.91Å; Y855-Y877 AromaticContact CD1-CD2 3.42Å; Y855-Y877 HydrophobicContact CD1-CD2 3.42Å; Y855-Y877 VanDerWaalsContact CD1-CD2 3.42Å; Y855-Y877 AromaticContact CD1-CE2 3.76Å; Y855-Y877 HydrophobicContact CD1-CE2 3.76Å; Y855-Y877 HydrophobicContact CD1-CG 4.4Å; Y855-Y877 AromaticContact CE1-CD2 3.48Å; Y855-Y877 HydrophobicContact CE1-CD2 3.48Å; Y855-Y877 VanDerWaalsContact CE1-CD2 3.48Å; Y855-Y877 HydrophobicContact CE1-CE2 4.29Å; Y855-Y877 HydrophobicContact CE1-CG 4.2Å; Y855-Y877 HydrophobicContact CG-CD2 4.21Å; Y855-Y877 HydrophobicContact CG-CE2 4.25Å
856	K	86.4	Confident	86.3	Confident	150 Å²	150	57.6 Å²	57.6	65%	0.652	30%	0.296	S	S	*	.	H	α-helix	trans	-61.6	-40.6	172.7	176.8	-174.4	172.9	-166.6	0	112.3	N852 I854 S860	N852-K856 WeakPolarHBondContact O-CB 3.11Å; N852-K856 PolarHBondContact O-N 3.08Å; I854-K856 PolarHBondContact O-N 2.6Å; K856-S860 WeakPolarHBondContact O-CB 3.49Å; K856-S860 PolarHBondContact O-N 2.91Å; K856-S860 VanDerWaalsContact O-N 3.16Å
857	N	87.1	Confident	86.6	Confident	55 Å²	55	56 Å²	56	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-75.1	-37	177.5	-70.7	-63.1	0	0	0	111.8	E853 I854 Y855 S860 I861 F905	E853-N857 PolarHBondContact O-N 2.7Å; E853-N857 PolarHBondContact O-ND2 3.02Å; I854-N857 PolarHBondContact O-N 2.67Å; Y855-N857 VanDerWaalsContact C-N 3.34Å; Y855-N857 PolarHBondContact O-N 3.08Å; N857-S860 PolarHBondContact O-N 3.47Å; N857-I861 PolarHBondContact O-N 2.82Å; N857-F905 HydrophobicContact CB-CE1 3.66Å; N857-F905 HydrophobicContact CB-CE2 3.95Å; N857-F905 HydrophobicContact CB-CZ 3.29Å
858	F	89.6	Confident	86.8	Confident	3 Å²	3	57.5 Å²	57.5	1%	0.013	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-47.9	173.2	-73.1	13.1	0	0	0	111.2	I854 Y855 S860 I861 L862 Y877 L902 F905 V906	I854-F858 HydrophobicContact CG2-CD1 4.16Å; I854-F858 HydrophobicContact CG2-CD2 4.25Å; I854-F858 HydrophobicContact CG2-CE1 3.78Å; I854-F858 HydrophobicContact CG2-CE2 3.88Å; I854-F858 HydrophobicContact CG2-CG 4.39Å; I854-F858 HydrophobicContact CG2-CZ 3.63Å; I854-F858 WeakPolarHBondContact O-CD1 3.42Å; I854-F858 PolarHBondContact O-N 3.28Å; Y855-F858 HydrophobicContact CD1-CD2 4.35Å; Y855-F858 PolarHBondContact O-N 2.98Å; F858-S860 VanDerWaalsContact C-N 3.27Å; F858-S860 PolarHBondContact O-N 3.4Å; F858-I861 WeakPolarHBondContact O-CA 3.49Å; F858-I861 WeakPolarHBondContact O-CB 3.31Å; F858-I861 PolarHBondContact O-N 3.41Å; F858-L862 WeakPolarHBondContact O-CD1 3.49Å; F858-L862 PolarHBondContact O-N 3.38Å; F858-Y877 HydrophobicContact CB-CE1 4.19Å; F858-Y877 HydrophobicContact CB-CE2 4.2Å; F858-Y877 AromaticContact CD2-CD1 3.94Å; F858-Y877 HydrophobicContact CD2-CD1 3.94Å; F858-Y877 HydrophobicContact CD2-CD2 4.15Å; F858-Y877 AromaticContact CD2-CE1 3.99Å; F858-Y877 HydrophobicContact CD2-CE1 3.99Å; F858-Y877 HydrophobicContact CD2-CE2 4.2Å; F858-Y877 HydrophobicContact CD2-CG 4.01Å; F858-L902 HydrophobicContact CB-CD2 3.88Å; F858-L902 HydrophobicContact CD1-CD2 3.56Å; F858-L902 HydrophobicContact CD2-CD2 4.18Å; F858-L902 HydrophobicContact CE1-CD2 4.09Å; F858-L902 HydrophobicContact CG-CD2 3.6Å; F858-F905 HydrophobicContact CD1-CD1 4.19Å; F858-F905 HydrophobicContact CD1-CE1 4.22Å; F858-F905 AromaticContact CE1-CD1 3.99Å; F858-F905 HydrophobicContact CE1-CD1 3.99Å; F858-F905 HydrophobicContact CE1-CE1 4.1Å; F858-V906 HydrophobicContact CE1-CG2 3.84Å; F858-V906 HydrophobicContact CZ-CG2 3.95Å
859	D	87.9	Confident	87	Confident	52 Å²	52	57 Å²	57	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-39.6	178	-68.5	5	0	0	0	111	Y855 I861 L862 D863 K869 Y877	Y855-D859 VanDerWaalsContact O-CB 3.27Å; Y855-D859 WeakPolarHBondContact O-CB 3.33Å; Y855-D859 PolarHBondContact O-N 2.92Å; Y855-D859 VanDerWaalsContact O-OD1 3.11Å; D859-I861 PolarHBondContact O-N 2.92Å; D859-L862 WeakPolarHBondContact O-CB 3.43Å; D859-L862 PolarHBondContact O-N 2.89Å; D859-L862 VanDerWaalsContact O-N 3.16Å; D859-D863 PolarHBondContact O-N 3.46Å; D859-K869 WeakPolarHBondContact OD1-CD 3.41Å; D859-K869 WeakPolarHBondContact OD1-CE 3.29Å; D859-K869 IonicContact OD1-NZ 2.84Å; D859-K869 PolarHBondContact OD1-NZ 3.47Å; D859-K869 IonicContact OD2-NZ 3.87Å; D859-K869 PolarHBondContact OD2-NZ 2.8Å; D859-Y877 PolarHBondContact OD1-OH 3.42Å
860	S	88.5	Confident	87	Confident	62 Å²	62	53.4 Å²	53.4	43%	0.434	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-19.5	173.4	-174.6	0	0	0	0	114.5	K856 N857 F858 H864	K856-S860 WeakPolarHBondContact O-CB 3.49Å; K856-S860 PolarHBondContact O-N 2.91Å; K856-S860 VanDerWaalsContact O-N 3.16Å; N857-S860 PolarHBondContact O-N 3.47Å; F858-S860 VanDerWaalsContact C-N 3.27Å; F858-S860 PolarHBondContact O-N 3.4Å; S860-H864 PolarHBondContact O-CE1 3.11Å; S860-H864 VanDerWaalsContact O-CE1 3.28Å; S860-H864 PolarHBondContact O-ND1 3.49Å
861	I	88.4	Confident	86.4	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-85.6	-41.1	171.4	-69.7	163.9	0	0	0	109.3	N857 F858 D859 D863 H864 H865 D901 L902 F905	N857-I861 PolarHBondContact O-N 2.82Å; F858-I861 WeakPolarHBondContact O-CA 3.49Å; F858-I861 WeakPolarHBondContact O-CB 3.31Å; F858-I861 PolarHBondContact O-N 3.41Å; D859-I861 PolarHBondContact O-N 2.92Å; I861-D863 VanDerWaalsContact C-N 3.29Å; I861-D863 PolarHBondContact O-N 3.47Å; I861-H864 PolarHBondContact O-N 3.26Å; I861-H864 VanDerWaalsContact O-N 3.14Å; I861-H865 PolarHBondContact O-CD2 2.78Å; I861-D901 HydrophobicContact CG2-CB 3.86Å; I861-L902 HydrophobicContact CB-CD2 4.17Å; I861-L902 HydrophobicContact CD1-CD2 3.88Å; I861-L902 HydrophobicContact CG2-CD2 4.15Å; I861-L902 HydrophobicContact CG2-CG 4.28Å; I861-F905 HydrophobicContact CD1-CB 3.76Å; I861-F905 HydrophobicContact CD1-CD1 4.34Å; I861-F905 HydrophobicContact CD1-CD2 4.47Å; I861-F905 HydrophobicContact CD1-CG 3.93Å
862	L	88.7	Confident	85.3	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-37.1	176.4	-91.1	68.5	0	0	0	112.9	F858 D859 H864 H865 V867 K869 Y877 V879 M898 L902	F858-L862 WeakPolarHBondContact O-CD1 3.49Å; F858-L862 PolarHBondContact O-N 3.38Å; D859-L862 WeakPolarHBondContact O-CB 3.43Å; D859-L862 PolarHBondContact O-N 2.89Å; D859-L862 VanDerWaalsContact O-N 3.16Å; L862-H864 PolarHBondContact O-N 2.95Å; L862-H865 PolarHBondContact O-N 2.96Å; L862-V867 HydrophobicContact CB-CG2 3.99Å; L862-V867 HydrophobicContact CD2-CG2 4.25Å; L862-V867 HydrophobicContact CG-CG2 3.75Å; L862-K869 HydrophobicContact CD2-CB 4.04Å; L862-Y877 HydrophobicContact CD1-CE1 3.98Å; L862-Y877 WeakPolarHBondContact CD1-OH 3.4Å; L862-Y877 HydrophobicContact CD2-CE1 4.24Å; L862-Y877 WeakPolarHBondContact CD2-OH 3.13Å; L862-V879 HydrophobicContact CD2-CG1 3.75Å; L862-V879 HydrophobicContact CD2-CG2 3.93Å; L862-V879 HydrophobicContact CG-CG1 4.36Å; L862-M898 HydrophobicContact CD1-CG 4.1Å; L862-M898 HydrophobicContact CD1-SD 3.99Å; L862-L902 HydrophobicContact CD1-CD1 4.47Å
863	D	85.1	Confident	84.3	Confident	142 Å²	142	60.1 Å²	60.1	76%	0.759	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.2	176.6	-82.8	-23.4	0	0	0	114.3	D859 I861	D859-D863 PolarHBondContact O-N 3.46Å; I861-D863 VanDerWaalsContact C-N 3.29Å; I861-D863 PolarHBondContact O-N 3.47Å
864	H	87.5	Confident	83.7	Confident	150 Å²	150	59.3 Å²	59.3	69%	0.694	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-5	178.8	-63.8	86	0	0	0	114.4	S860 I861 L862	S860-H864 PolarHBondContact O-CE1 3.11Å; S860-H864 VanDerWaalsContact O-CE1 3.28Å; S860-H864 PolarHBondContact O-ND1 3.49Å; I861-H864 PolarHBondContact O-N 3.26Å; I861-H864 VanDerWaalsContact O-N 3.14Å; L862-H864 PolarHBondContact O-N 2.95Å
865	H	88.2	Confident	83.3	Confident	38 Å²	38	61.1 Å²	61.1	18%	0.176	32%	0.32	C	S	.	.	S	Bend	trans	-125.8	156.6	-173.6	-64.9	-76	0	0	0	112.2	I861 L862 V867 M898 D901	I861-H865 PolarHBondContact O-CD2 2.78Å; L862-H865 PolarHBondContact O-N 2.96Å; H865-V867 VanDerWaalsContact C-N 3.26Å; H865-V867 HydrophobicContact CB-CG1 3.88Å; H865-V867 HydrophobicContact CB-CG2 3.99Å; H865-V867 PolarHBondContact O-N 2.92Å; H865-M898 HydrophobicContact CB-CB 4.46Å; H865-D901 IonicContact CE1-OD2 2.8Å; H865-D901 PolarHBondContact CE1-OD2 3.21Å; H865-D901 VanDerWaalsContact CE1-OD2 3.25Å; H865-D901 IonicContact NE2-OD2 3.75Å; H865-D901 PolarHBondContact NE2-OD2 3.32Å
866	D	87.2	Confident	83.1	Confident	59 Å²	59	61.3 Å²	61.3	32%	0.316	33%	0.327	S	S	.	.	S	Bend	trans	-81.5	68.7	179.4	-171.9	37.5	0	0	0	111.5	S881 N887 R890	D866-S881 WeakPolarHBondContact O-CB 3.26Å; D866-S881 PolarHBondContact O-OG 3.34Å; D866-N887 WeakPolarHBondContact OD2-CB 3.36Å; D866-N887 PolarHBondContact OD2-ND2 2.99Å; D866-R890 IonicContact OD2-CZ 2.7Å; D866-R890 IonicContact OD2-NH2 2.58Å; D866-R890 PolarHBondContact OD2-NH2 3.22Å
867	V	89.3	Confident	83.2	Confident	30 Å²	30	54.2 Å²	54.2	18%	0.182	30%	0.296	C	S	.	.			trans	-135.9	154	-167.2	-58.7	0	0	0	0	112.5	L862 H865 V879 D894 I895 M898	L862-V867 HydrophobicContact CB-CG2 3.99Å; L862-V867 HydrophobicContact CD2-CG2 4.25Å; L862-V867 HydrophobicContact CG-CG2 3.75Å; H865-V867 VanDerWaalsContact C-N 3.26Å; H865-V867 HydrophobicContact CB-CG1 3.88Å; H865-V867 HydrophobicContact CB-CG2 3.99Å; H865-V867 PolarHBondContact O-N 2.92Å; V867-V879 HydrophobicContact CB-CG1 3.91Å; V867-V879 HydrophobicContact CG2-CG1 4.19Å; V867-D894 HydrophobicContact CG1-CB 4.19Å; V867-I895 HydrophobicContact CG1-CD1 3.92Å; V867-M898 HydrophobicContact CB-CE 4.18Å; V867-M898 HydrophobicContact CG1-CE 3.87Å; V867-M898 HydrophobicContact CG2-CE 4.26Å
868	Y	88.3	Confident	83.3	Confident	48 Å²	48	52.2 Å²	52.2	19%	0.188	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.4	179.4	178.5	-99.5	0	0	0	111.7	P804 V870 V879 A880 L883 Y942	P804-Y868 HydrophobicContact CB-CE2 4.19Å; P804-Y868 HydrophobicContact CG-CD2 4.29Å; P804-Y868 HydrophobicContact CG-CE1 4.47Å; P804-Y868 HydrophobicContact CG-CE2 3.61Å; Y868-V870 HydrophobicContact CD1-CG2 4.15Å; Y868-V870 HydrophobicContact CE1-CG2 4.38Å; Y868-V879 WeakPolarHBondContact O-CA 3.45Å; Y868-V879 VanDerWaalsContact O-CG1 3.29Å; Y868-V879 WeakPolarHBondContact O-CG1 3.18Å; Y868-A880 PolarHBondContact N-O 3.25Å; Y868-A880 PolarHBondContact O-N 2.8Å; Y868-L883 HydrophobicContact CD1-CD1 4.08Å; Y868-Y942 HydrophobicContact CD1-CD1 4.44Å; Y868-Y942 AromaticContact CE1-CD1 3.7Å; Y868-Y942 HydrophobicContact CE1-CD1 3.7Å; Y868-Y942 HydrophobicContact CE1-CE1 4.31Å
869	K	88.2	Confident	83.4	Confident	63 Å²	63	52.1 Å²	52.1	27%	0.274	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.4	175.4	-179.5	172.5	176.8	171	0	110.7	D859 L862 Y877	D859-K869 WeakPolarHBondContact OD1-CD 3.41Å; D859-K869 WeakPolarHBondContact OD1-CE 3.29Å; D859-K869 IonicContact OD1-NZ 2.84Å; D859-K869 PolarHBondContact OD1-NZ 3.47Å; D859-K869 IonicContact OD2-NZ 3.87Å; D859-K869 PolarHBondContact OD2-NZ 2.8Å; L862-K869 HydrophobicContact CD2-CB 4.04Å; K869-Y877 HydrophobicContact CD-CE2 4.3Å
870	V	83.4	Confident	83.7	Confident	11 Å²	11	49.6 Å²	49.6	7%	0.067	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-97.7	173	178.9	-167.6	0	0	0	0	109	Y868 T872 M878 A880 L944	Y868-V870 HydrophobicContact CD1-CG2 4.15Å; Y868-V870 HydrophobicContact CE1-CG2 4.38Å; V870-T872 PolarHBondContact O-N 2.81Å; V870-M878 HydrophobicContact CB-CB 4.17Å; V870-M878 HydrophobicContact CB-CE 4.4Å; V870-M878 HydrophobicContact CB-CG 3.89Å; V870-M878 HydrophobicContact CB-SD 3.79Å; V870-M878 HydrophobicContact CG1-CE 4.12Å; V870-M878 HydrophobicContact CG1-CG 4.39Å; V870-M878 HydrophobicContact CG1-SD 3.59Å; V870-M878 VanDerWaalsContact CG1-SD 3.59Å; V870-M878 HydrophobicContact CG2-CE 4.38Å; V870-M878 HydrophobicContact CG2-CG 4.29Å; V870-M878 HydrophobicContact CG2-SD 4.37Å; V870-M878 PolarHBondContact N-O 2.83Å; V870-A880 HydrophobicContact CG2-CB 4.24Å; V870-L944 HydrophobicContact CG1-CD1 4.28Å; V870-L944 HydrophobicContact CG1-CG 4.31Å; V870-L944 HydrophobicContact CG2-CD1 3.82Å
871	E	71.9	Confident	83.9	Confident	77 Å²	77	46.8 Å²	46.8	36%	0.36	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-58.7	124.2	178	-58.3	-152.3	120.6	0	0	112.2	R941	E871-R941 WeakPolarHBondContact OE1-CD 3.5Å; E871-R941 WeakPolarHBondContact OE1-CG 3.44Å; E871-R941 IonicContact OE1-CZ 3.98Å; E871-R941 VanDerWaalsContact OE1-CZ 3.24Å; E871-R941 IonicContact OE1-NE 3.29Å; E871-R941 PolarHBondContact OE1-NE 3.43Å; E871-R941 IonicContact OE1-NH1 2.7Å; E871-R941 PolarHBondContact OE1-NH1 2.63Å; E871-R941 IonicContact OE2-CZ 3.81Å; E871-R941 IonicContact OE2-NH1 2.63Å; E871-R941 PolarHBondContact OE2-NH1 2.93Å
872	T	63.5	Low	83.9	Confident	54 Å²	54	45.5 Å²	45.5	33%	0.331	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-84.8	133.8	175.2	52.2	0	0	0	0	110.4	V870 A876 Y877	V870-T872 PolarHBondContact O-N 2.81Å; T872-A876 WeakPolarHBondContact CA-O 3.31Å; T872-Y877 HydrophobicContact CG2-CD2 3.77Å; T872-Y877 HydrophobicContact CG2-CE2 4.35Å; T872-Y877 HydrophobicContact CG2-CG 4.47Å
873	I	64.8	Low	83.8	Confident	138 Å²	138	45.1 Å²	45.1	71%	0.708	24%	0.243	S	C	*	.	B	Isolated β-bridge	trans	-117.3	100.4	179.5	-59.3	176.3	0	0	0	108.4	D875 A876	I873-D875 PolarHBondContact O-N 3.28Å; I873-A876 PolarHBondContact N-O 2.85Å; I873-A876 WeakPolarHBondContact O-CB 3.48Å; I873-A876 PolarHBondContact O-N 2.57Å; I873-A876 VanDerWaalsContact O-N 3.15Å
874	G	70.4	Confident	83.4	Confident	47 Å²	47	39.8 Å²	39.8	49%	0.485	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-119.8	-176.7	0	0	0	0	0	112.4	Y855	Y855-G874 PolarHBondContact OH-O 3.3Å
875	D	77.9	Confident	83.3	Confident	38 Å²	38	39.5 Å²	39.5	20%	0.203	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.3	172.1	39	8.1	0	0	0	113.8	I832 F835 Y855 I873 Y877	I832-D875 HydrophobicContact CB-CB 4.33Å; I832-D875 HydrophobicContact CD1-CB 4.46Å; F835-D875 HydrophobicContact CB-CB 4.03Å; F835-D875 VanDerWaalsContact CB-OD2 3.27Å; F835-D875 WeakPolarHBondContact CB-OD2 3.41Å; F835-D875 HydrophobicContact CD1-CB 3.63Å; F835-D875 WeakPolarHBondContact CD1-OD2 3.36Å; F835-D875 HydrophobicContact CD2-CB 3.99Å; F835-D875 HydrophobicContact CE1-CB 4Å; F835-D875 HydrophobicContact CE2-CB 4.34Å; F835-D875 HydrophobicContact CG-CB 3.62Å; F835-D875 WeakPolarHBondContact CG-OD2 3.4Å; F835-D875 HydrophobicContact CZ-CB 4.34Å; Y855-D875 PolarHBondContact OH-O 2.91Å; I873-D875 PolarHBondContact O-N 3.28Å; D875-Y877 PolarHBondContact O-N 2.89Å
876	A	82.3	Confident	83.3	Confident	27 Å²	27	43.6 Å²	43.6	22%	0.223	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-74.1	116.4	-175.5	0	0	0	0	0	112.8	S830 T872 I873	S830-A876 WeakPolarHBondContact O-CA 3.39Å; T872-A876 WeakPolarHBondContact CA-O 3.31Å; I873-A876 PolarHBondContact N-O 2.85Å; I873-A876 WeakPolarHBondContact O-CB 3.48Å; I873-A876 PolarHBondContact O-N 2.57Å; I873-A876 VanDerWaalsContact O-N 3.15Å
877	Y	88.8	Confident	83.3	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.2	176.4	-165.6	-97.9	0	0	0	111	Y828 S830 Y855 F858 D859 L862 K869 T872 D875 V879	Y828-Y877 HydrophobicContact CE1-CD1 4.29Å; S830-Y877 PolarHBondContact N-O 3.41Å; S830-Y877 PolarHBondContact O-N 2.78Å; Y855-Y877 AromaticContact CD1-CD2 3.42Å; Y855-Y877 HydrophobicContact CD1-CD2 3.42Å; Y855-Y877 VanDerWaalsContact CD1-CD2 3.42Å; Y855-Y877 AromaticContact CD1-CE2 3.76Å; Y855-Y877 HydrophobicContact CD1-CE2 3.76Å; Y855-Y877 HydrophobicContact CD1-CG 4.4Å; Y855-Y877 AromaticContact CE1-CD2 3.48Å; Y855-Y877 HydrophobicContact CE1-CD2 3.48Å; Y855-Y877 VanDerWaalsContact CE1-CD2 3.48Å; Y855-Y877 HydrophobicContact CE1-CE2 4.29Å; Y855-Y877 HydrophobicContact CE1-CG 4.2Å; Y855-Y877 HydrophobicContact CG-CD2 4.21Å; Y855-Y877 HydrophobicContact CG-CE2 4.25Å; F858-Y877 HydrophobicContact CB-CE1 4.19Å; F858-Y877 HydrophobicContact CB-CE2 4.2Å; F858-Y877 AromaticContact CD2-CD1 3.94Å; F858-Y877 HydrophobicContact CD2-CD1 3.94Å; F858-Y877 HydrophobicContact CD2-CD2 4.15Å; F858-Y877 AromaticContact CD2-CE1 3.99Å; F858-Y877 HydrophobicContact CD2-CE1 3.99Å; F858-Y877 HydrophobicContact CD2-CE2 4.2Å; F858-Y877 HydrophobicContact CD2-CG 4.01Å; D859-Y877 PolarHBondContact OD1-OH 3.42Å; L862-Y877 HydrophobicContact CD1-CE1 3.98Å; L862-Y877 WeakPolarHBondContact CD1-OH 3.4Å; L862-Y877 HydrophobicContact CD2-CE1 4.24Å; L862-Y877 WeakPolarHBondContact CD2-OH 3.13Å; K869-Y877 HydrophobicContact CD-CE2 4.3Å; T872-Y877 HydrophobicContact CG2-CD2 3.77Å; T872-Y877 HydrophobicContact CG2-CE2 4.35Å; T872-Y877 HydrophobicContact CG2-CG 4.47Å; D875-Y877 PolarHBondContact O-N 2.89Å; Y877-V879 HydrophobicContact CD1-CG2 3.7Å; Y877-V879 HydrophobicContact CE1-CG2 3.4Å
878	M	90	Very high	83.2	Confident	13 Å²	13	42.7 Å²	42.7	6%	0.064	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130	-173.1	-172	-171.5	177.2	0	0	111.5	I827 Y828 F829 V870 L944 V949	I827-M878 HydrophobicContact CD1-CE 4.36Å; I827-M878 HydrophobicContact CG2-CE 3.68Å; I827-M878 HydrophobicContact CG2-CG 4.47Å; Y828-M878 WeakPolarHBondContact O-CA 3.21Å; F829-M878 HydrophobicContact CD1-CB 4.29Å; F829-M878 HydrophobicContact CD1-CG 4.26Å; F829-M878 HydrophobicContact CD2-CG 4.45Å; F829-M878 HydrophobicContact CE1-CB 4.03Å; F829-M878 HydrophobicContact CE1-CG 3.81Å; F829-M878 HydrophobicContact CE1-SD 3.93Å; F829-M878 HydrophobicContact CE2-CE 3.83Å; F829-M878 HydrophobicContact CE2-CG 4.04Å; F829-M878 HydrophobicContact CE2-SD 4.13Å; F829-M878 HydrophobicContact CZ-CB 4.43Å; F829-M878 HydrophobicContact CZ-CE 3.73Å; F829-M878 HydrophobicContact CZ-CG 3.7Å; F829-M878 HydrophobicContact CZ-SD 3.48Å; F829-M878 WeakPolarHBondContact CZ-SD 3.14Å; V870-M878 HydrophobicContact CB-CB 4.17Å; V870-M878 HydrophobicContact CB-CE 4.4Å; V870-M878 HydrophobicContact CB-CG 3.89Å; V870-M878 HydrophobicContact CB-SD 3.79Å; V870-M878 HydrophobicContact CG1-CE 4.12Å; V870-M878 HydrophobicContact CG1-CG 4.39Å; V870-M878 HydrophobicContact CG1-SD 3.59Å; V870-M878 VanDerWaalsContact CG1-SD 3.59Å; V870-M878 HydrophobicContact CG2-CE 4.38Å; V870-M878 HydrophobicContact CG2-CG 4.29Å; V870-M878 HydrophobicContact CG2-SD 4.37Å; V870-M878 PolarHBondContact N-O 2.83Å; M878-L944 HydrophobicContact CE-CD1 3.89Å; M878-V949 HydrophobicContact CE-CG1 3.84Å; M878-V949 HydrophobicContact CE-CG2 4.37Å
879	V	91.9	Very high	83.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149	-180	-161.1	0	0	0	0	109.6	Y828 L862 V867 Y868 Y877 M898	Y828-V879 HydrophobicContact CD1-CB 4.35Å; Y828-V879 HydrophobicContact CD1-CG2 4.01Å; Y828-V879 PolarHBondContact N-O 2.97Å; Y828-V879 PolarHBondContact O-N 2.84Å; L862-V879 HydrophobicContact CD2-CG1 3.75Å; L862-V879 HydrophobicContact CD2-CG2 3.93Å; L862-V879 HydrophobicContact CG-CG1 4.36Å; V867-V879 HydrophobicContact CB-CG1 3.91Å; V867-V879 HydrophobicContact CG2-CG1 4.19Å; Y868-V879 WeakPolarHBondContact O-CA 3.45Å; Y868-V879 VanDerWaalsContact O-CG1 3.29Å; Y868-V879 WeakPolarHBondContact O-CG1 3.18Å; Y877-V879 HydrophobicContact CD1-CG2 3.7Å; Y877-V879 HydrophobicContact CE1-CG2 3.4Å; V879-M898 HydrophobicContact CB-CE 3.86Å; V879-M898 HydrophobicContact CG1-CE 3.61Å; V879-M898 HydrophobicContact CG2-CE 4.21Å
880	A	92.6	Very high	83.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.8	174.8	0	0	0	0	0	112.2	T826 I827 Y868 V870 L883 L944	T826-A880 WeakPolarHBondContact O-CA 3.5Å; I827-A880 HydrophobicContact CG1-CB 4.25Å; Y868-A880 PolarHBondContact N-O 3.25Å; Y868-A880 PolarHBondContact O-N 2.8Å; V870-A880 HydrophobicContact CG2-CB 4.24Å; A880-L883 HydrophobicContact CB-CD1 4.25Å; A880-L883 HydrophobicContact CB-CD2 3.73Å; A880-L883 HydrophobicContact CB-CG 4.02Å; A880-L944 HydrophobicContact CB-CD1 3.95Å
881	S	93.1	Very high	83.6	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.9	168.5	-172	0	0	0	0	110.4	V825 T826 D866 L883 N887 H891	V825-S881 WeakPolarHBondContact CA-O 3.36Å; V825-S881 WeakPolarHBondContact CB-O 3.25Å; T826-S881 PolarHBondContact N-O 3.41Å; T826-S881 PolarHBondContact O-N 2.9Å; D866-S881 WeakPolarHBondContact O-CB 3.26Å; D866-S881 PolarHBondContact O-OG 3.34Å; S881-L883 VanDerWaalsContact C-N 3.31Å; S881-N887 PolarHBondContact OG-ND2 2.95Å; S881-H891 VanDerWaalsContact C-CB 3.44Å
882	G	88.1	Confident	84.6	Confident	2 Å²	2	42.5 Å²	42.5	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	86.9	-1.3	-166.7	0	0	0	0	0	113.9	F822 K885 R886 N887	F822-G882 WeakPolarHBondContact CD1-O 3.16Å; G882-K885 CarbonylContact C-O 3.58Å; G882-K885 CarbonylContact O-C 3.55Å; G882-R886 WeakPolarHBondContact O-CA 3.31Å; G882-N887 WeakPolarHBondContact CA-OD1 3.08Å
883	L	86.9	Confident	85.9	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	22%	0.217	C	C	.	.			trans	-143.7	149.8	179.1	69.8	90.9	0	0	0	110.4	F822 V825 Y868 A880 S881 K885 Y942 L944	F822-L883 HydrophobicContact CD1-CB 3.99Å; F822-L883 HydrophobicContact CD2-CB 4.41Å; F822-L883 HydrophobicContact CE1-CB 3.94Å; F822-L883 HydrophobicContact CE2-CB 4.37Å; F822-L883 HydrophobicContact CG-CB 4.25Å; F822-L883 HydrophobicContact CZ-CB 4.16Å; V825-L883 HydrophobicContact CB-CD2 4.15Å; V825-L883 HydrophobicContact CG1-CB 4.28Å; V825-L883 HydrophobicContact CG1-CD2 3.89Å; V825-L883 HydrophobicContact CG2-CD2 4.27Å; Y868-L883 HydrophobicContact CD1-CD1 4.08Å; A880-L883 HydrophobicContact CB-CD1 4.25Å; A880-L883 HydrophobicContact CB-CD2 3.73Å; A880-L883 HydrophobicContact CB-CG 4.02Å; S881-L883 VanDerWaalsContact C-N 3.31Å; L883-K885 PolarHBondContact N-O 3.29Å; L883-Y942 HydrophobicContact CD1-CE1 3.93Å; L883-L944 HydrophobicContact CD1-CD1 4.46Å; L883-L944 HydrophobicContact CD1-CD2 3.9Å; L883-L944 HydrophobicContact CD2-CD1 3.87Å; L883-L944 HydrophobicContact CD2-CD2 3.66Å; L883-L944 HydrophobicContact CD2-CG 4.45Å; L883-L944 HydrophobicContact CG-CD2 4.45Å
884	P	78	Confident	87.2	Confident	30 Å²	30	35.2 Å²	35.2	20%	0.195	19%	0.189	C	C	.	.	S	Bend	cis	-74	-3.4	-8.9	37.3	-42.2	0	0	0	113	P804 P806	P804-P884 HydrophobicContact CB-CB 4.43Å; P804-P884 HydrophobicContact CB-CG 3.69Å; P804-P884 HydrophobicContact CG-CG 4.33Å; P806-P884 HydrophobicContact CG-CG 4.19Å
885	K	84.1	Confident	88.4	Confident	143 Å²	143	33 Å²	33	62%	0.622	17%	0.166	S	C	*	.	S	Bend	trans	-103.5	126.3	172.1	-65.8	177.3	-175.6	169.3	0	108.7	G882 L883	G882-K885 CarbonylContact C-O 3.58Å; G882-K885 CarbonylContact O-C 3.55Å; L883-K885 PolarHBondContact N-O 3.29Å
886	R	87.8	Confident	89	Confident	125 Å²	125	31.4 Å²	31.4	47%	0.472	16%	0.158	S	C	.	.			trans	-70.6	127.6	170.6	-59.3	177.2	-169.9	-124.8	-0.5	109	E820 L821 F822 E823 G882	E820-R886 IonicContact OE1-CZ 3.34Å; E820-R886 IonicContact OE1-NE 2.73Å; E820-R886 PolarHBondContact OE1-NE 3.49Å; E820-R886 IonicContact OE1-NH2 2.93Å; E820-R886 PolarHBondContact OE1-NH2 3.26Å; L821-R886 PolarHBondContact O-NH2 2.68Å; F822-R886 HydrophobicContact CD1-CG 3.92Å; F822-R886 HydrophobicContact CE1-CG 4.07Å; E823-R886 IonicContact OE2-NH1 2.63Å; G882-R886 WeakPolarHBondContact O-CA 3.31Å
887	N	88.4	Confident	89.5	Confident	28 Å²	28	31.1 Å²	31.1	15%	0.15	15%	0.152	C	C	.	.			trans	-122.5	10	-178.3	60.2	1.1	0	0	0	113.3	D866 S881 G882 H891	D866-N887 WeakPolarHBondContact OD2-CB 3.36Å; D866-N887 PolarHBondContact OD2-ND2 2.99Å; S881-N887 PolarHBondContact OG-ND2 2.95Å; G882-N887 WeakPolarHBondContact CA-OD1 3.08Å; N887-H891 WeakPolarHBondContact OD1-CB 3.44Å; N887-H891 PolarHBondContact OD1-N 3.03Å
888	G	87.7	Confident	89.7	Confident	42 Å²	42	31 Å²	31	43%	0.433	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-161.5	-175.9	0	0	0	0	0	112.5	R890 H891	G888-R890 PolarHBondContact O-N 3.39Å; G888-H891 PolarHBondContact O-CD2 3.06Å; G888-H891 PolarHBondContact O-N 3.02Å; G888-H891 VanDerWaalsContact O-N 3.1Å
889	D	87.1	Confident	89.8	Confident	58 Å²	58	30.4 Å²	30.4	31%	0.31	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-13.9	-179	-60.8	57.9	0	0	0	114.6	H891 A892 I973 R976 T977	D889-H891 PolarHBondContact O-N 3.01Å; D889-A892 PolarHBondContact O-N 3.3Å; D889-I973 HydrophobicContact CB-CG2 3.7Å; D889-R976 VanDerWaalsContact OD2-CD 3.31Å; D889-R976 WeakPolarHBondContact OD2-CD 3.42Å; D889-R976 IonicContact OD2-NH1 3.97Å; D889-T977 HydrophobicContact CB-CG2 3.87Å
890	R	88.6	Confident	89.8	Confident	132 Å²	132	30.4 Å²	30.4	50%	0.498	15%	0.149	S	C	.	.	H	α-helix	trans	-56.5	-30.1	172	-57.8	-153.4	-35.4	-161.1	2.4	113.9	D866 G888 A892 V893 D894	D866-R890 IonicContact OD2-CZ 2.7Å; D866-R890 IonicContact OD2-NH2 2.58Å; D866-R890 PolarHBondContact OD2-NH2 3.22Å; G888-R890 PolarHBondContact O-N 3.39Å; R890-A892 PolarHBondContact O-N 2.88Å; R890-V893 CarbonylContact O-C 3.56Å; R890-V893 WeakPolarHBondContact O-CA 3.33Å; R890-V893 WeakPolarHBondContact O-CB 3.17Å; R890-V893 PolarHBondContact O-N 3.39Å; R890-D894 WeakPolarHBondContact CB-OD2 3.29Å; R890-D894 IonicContact NE-OD2 3.69Å; R890-D894 PolarHBondContact O-N 2.82Å
891	H	92.3	Very high	89.6	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-55.4	-31.6	-178.6	57.7	71.9	0	0	0	113.2	E824 T826 S881 N887 G888 D889 I895	E824-H891 WeakPolarHBondContact CB-NE2 3.44Å; E824-H891 PolarHBondContact O-NE2 3.29Å; T826-H891 PolarHBondContact N-ND1 3.37Å; T826-H891 PolarHBondContact OG1-ND1 2.66Å; S881-H891 VanDerWaalsContact C-CB 3.44Å; N887-H891 WeakPolarHBondContact OD1-CB 3.44Å; N887-H891 PolarHBondContact OD1-N 3.03Å; G888-H891 PolarHBondContact O-CD2 3.06Å; G888-H891 PolarHBondContact O-N 3.02Å; G888-H891 VanDerWaalsContact O-N 3.1Å; D889-H891 PolarHBondContact O-N 3.01Å; H891-I895 WeakPolarHBondContact O-CB 3.48Å; H891-I895 WeakPolarHBondContact O-CG1 3.46Å; H891-I895 PolarHBondContact O-N 2.98Å
892	A	92.3	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-73.3	-38	173.8	0	0	0	0	0	111.9	T826 D889 R890 A896 T970 I973 L974	T826-A892 WeakPolarHBondContact OG1-CA 3.49Å; T826-A892 PolarHBondContact OG1-N 3.49Å; D889-A892 PolarHBondContact O-N 3.3Å; R890-A892 PolarHBondContact O-N 2.88Å; A892-A896 WeakPolarHBondContact O-CB 3.46Å; A892-A896 PolarHBondContact O-N 3.15Å; A892-T970 HydrophobicContact CB-CG2 4.35Å; A892-I973 HydrophobicContact CB-CB 4.09Å; A892-I973 HydrophobicContact CB-CG2 3.7Å; A892-L974 HydrophobicContact CB-CD2 3.72Å; A892-L974 HydrophobicContact CB-CG 4.1Å
893	V	91.4	Very high	89.5	Confident	16 Å²	16	32.9 Å²	32.9	10%	0.097	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-46	-179.3	179	0	0	0	0	112	R890 A896 H897 L974 T977 F981	R890-V893 CarbonylContact O-C 3.56Å; R890-V893 WeakPolarHBondContact O-CA 3.33Å; R890-V893 WeakPolarHBondContact O-CB 3.17Å; R890-V893 PolarHBondContact O-N 3.39Å; V893-A896 PolarHBondContact O-N 3.19Å; V893-H897 PolarHBondContact O-N 2.98Å; V893-H897 PolarHBondContact O-ND1 3.17Å; V893-H897 VanDerWaalsContact O-ND1 3.08Å; V893-L974 HydrophobicContact CG2-CD2 4Å; V893-T977 HydrophobicContact CG2-CG2 3.72Å; V893-F981 HydrophobicContact CB-CE2 4.33Å; V893-F981 HydrophobicContact CG1-CE2 3.97Å; V893-F981 HydrophobicContact CG1-CZ 4.02Å; V893-F981 HydrophobicContact CG2-CE2 4.14Å
894	D	91.9	Very high	89.5	Confident	24 Å²	24	33.8 Å²	33.8	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-44.2	178.7	-70	-60.1	0	0	0	110.6	V867 R890 M898	V867-D894 HydrophobicContact CG1-CB 4.19Å; R890-D894 WeakPolarHBondContact CB-OD2 3.29Å; R890-D894 IonicContact NE-OD2 3.69Å; R890-D894 PolarHBondContact O-N 2.82Å; D894-M898 VanDerWaalsContact O-CB 3.31Å; D894-M898 WeakPolarHBondContact O-CB 3.41Å; D894-M898 PolarHBondContact O-N 3.39Å; D894-M898 VanDerWaalsContact O-N 3.08Å
895	I	94.3	Very high	90	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-38.9	173.3	-63.9	-65.6	0	0	0	112	T826 Y828 V867 H891 M898 A899 V925	T826-I895 HydrophobicContact CG2-CB 3.83Å; T826-I895 HydrophobicContact CG2-CG1 3.88Å; T826-I895 HydrophobicContact CG2-CG2 3.8Å; Y828-I895 HydrophobicContact CD2-CG2 4.27Å; V867-I895 HydrophobicContact CG1-CD1 3.92Å; H891-I895 WeakPolarHBondContact O-CB 3.48Å; H891-I895 WeakPolarHBondContact O-CG1 3.46Å; H891-I895 PolarHBondContact O-N 2.98Å; I895-M898 HydrophobicContact CD1-CE 3.48Å; I895-M898 VanDerWaalsContact CD1-CE 3.48Å; I895-A899 VanDerWaalsContact O-CB 3.27Å; I895-A899 WeakPolarHBondContact O-CB 3.44Å; I895-A899 PolarHBondContact O-N 2.76Å; I895-V925 HydrophobicContact CG2-CG1 3.77Å; I895-V925 HydrophobicContact CG2-CG2 4.26Å
896	A	92.4	Very high	90	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-39.3	-178.9	0	0	0	0	0	112.9	A892 V893 L900 L974 F981 L1002	A892-A896 WeakPolarHBondContact O-CB 3.46Å; A892-A896 PolarHBondContact O-N 3.15Å; V893-A896 PolarHBondContact O-N 3.19Å; A896-L900 WeakPolarHBondContact O-CG 3.36Å; A896-L900 PolarHBondContact O-N 2.93Å; A896-L974 HydrophobicContact CB-CD1 4.19Å; A896-L974 HydrophobicContact CB-CD2 4.13Å; A896-F981 HydrophobicContact CB-CD1 4.14Å; A896-F981 HydrophobicContact CB-CE1 3.48Å; A896-F981 VanDerWaalsContact CB-CE1 3.48Å; A896-F981 HydrophobicContact CB-CZ 3.7Å; A896-L1002 HydrophobicContact CB-CD2 3.87Å
897	H	91.2	Very high	89.6	Confident	22 Å²	22	23.8 Å²	23.8	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-49.2	172.5	-71.8	122.3	0	0	0	111.7	V893 A899 L900 D901 F981	V893-H897 PolarHBondContact O-N 2.98Å; V893-H897 PolarHBondContact O-ND1 3.17Å; V893-H897 VanDerWaalsContact O-ND1 3.08Å; H897-A899 VanDerWaalsContact C-N 3.27Å; H897-A899 PolarHBondContact O-N 2.89Å; H897-L900 WeakPolarHBondContact O-CB 3.48Å; H897-L900 PolarHBondContact O-N 2.91Å; H897-D901 PolarHBondContact O-N 2.93Å; H897-F981 AromaticContact CE1-CZ 3.64Å; H897-F981 AromaticContact ND1-CZ 3.94Å; H897-F981 AromaticContact NE2-CZ 3.78Å
898	M	93.5	Very high	89.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-38.3	178.3	-179.9	-106.6	-67.6	0	0	112.4	Y828 L862 H865 V867 V879 D894 I895 L900 D901 L902	Y828-M898 HydrophobicContact CD2-SD 4.44Å; Y828-M898 HydrophobicContact CE2-SD 4.46Å; L862-M898 HydrophobicContact CD1-CG 4.1Å; L862-M898 HydrophobicContact CD1-SD 3.99Å; H865-M898 HydrophobicContact CB-CB 4.46Å; V867-M898 HydrophobicContact CB-CE 4.18Å; V867-M898 HydrophobicContact CG1-CE 3.87Å; V867-M898 HydrophobicContact CG2-CE 4.26Å; V879-M898 HydrophobicContact CB-CE 3.86Å; V879-M898 HydrophobicContact CG1-CE 3.61Å; V879-M898 HydrophobicContact CG2-CE 4.21Å; D894-M898 VanDerWaalsContact O-CB 3.31Å; D894-M898 WeakPolarHBondContact O-CB 3.41Å; D894-M898 PolarHBondContact O-N 3.39Å; D894-M898 VanDerWaalsContact O-N 3.08Å; I895-M898 HydrophobicContact CD1-CE 3.48Å; I895-M898 VanDerWaalsContact CD1-CE 3.48Å; M898-L900 PolarHBondContact O-N 3.17Å; M898-D901 PolarHBondContact O-N 3.04Å; M898-L902 HydrophobicContact CG-CD1 4.1Å; M898-L902 HydrophobicContact CG-CG 4.39Å; M898-L902 WeakPolarHBondContact O-CB 3.38Å; M898-L902 VanDerWaalsContact O-CG 3.26Å; M898-L902 WeakPolarHBondContact O-CG 3.4Å; M898-L902 PolarHBondContact O-N 3.28Å; M898-L902 HydrophobicContact SD-CD1 3.42Å; M898-L902 WeakPolarHBondContact SD-CD1 3.27Å; M898-L902 HydrophobicContact SD-CG 4.32Å
899	A	92.5	Very high	88.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-35.8	174.7	0	0	0	0	0	113.5	Y828 I895 H897 L903 I923 I964	Y828-A899 HydrophobicContact CD2-CB 4.05Å; Y828-A899 HydrophobicContact CE2-CB 3.71Å; I895-A899 VanDerWaalsContact O-CB 3.27Å; I895-A899 WeakPolarHBondContact O-CB 3.44Å; I895-A899 PolarHBondContact O-N 2.76Å; H897-A899 VanDerWaalsContact C-N 3.27Å; H897-A899 PolarHBondContact O-N 2.89Å; A899-L903 VanDerWaalsContact O-CB 3.27Å; A899-L903 WeakPolarHBondContact O-CB 3.46Å; A899-L903 PolarHBondContact O-N 2.92Å; A899-L903 VanDerWaalsContact O-N 3.17Å; A899-I923 HydrophobicContact CB-CG2 4.38Å; A899-I964 HydrophobicContact CB-CD1 3.83Å; A899-I964 HydrophobicContact CB-CG1 4.22Å; A899-I964 HydrophobicContact CB-CG2 4.28Å
900	L	90.9	Very high	88.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-73.2	-40.4	175.4	-71	165.7	0	0	0	111.7	A896 H897 M898 L903 S904 I964 F981 L1002 V1005 Y1010 L1012	A896-L900 WeakPolarHBondContact O-CG 3.36Å; A896-L900 PolarHBondContact O-N 2.93Å; H897-L900 WeakPolarHBondContact O-CB 3.48Å; H897-L900 PolarHBondContact O-N 2.91Å; M898-L900 PolarHBondContact O-N 3.17Å; L900-L903 PolarHBondContact O-N 3.31Å; L900-S904 WeakPolarHBondContact O-CB 3.39Å; L900-S904 PolarHBondContact O-N 2.93Å; L900-I964 HydrophobicContact CD2-CD1 3.69Å; L900-I964 HydrophobicContact CG-CD1 3.94Å; L900-F981 HydrophobicContact CD1-CE1 4.47Å; L900-L1002 HydrophobicContact CD1-CD2 4.2Å; L900-L1002 HydrophobicContact CG-CD2 4.2Å; L900-V1005 HydrophobicContact CD1-CG2 3.88Å; L900-Y1010 HydrophobicContact CB-CD1 3.87Å; L900-Y1010 HydrophobicContact CB-CE1 3.68Å; L900-Y1010 HydrophobicContact CB-CG 4.39Å; L900-Y1010 HydrophobicContact CD1-CD2 4.46Å; L900-Y1010 HydrophobicContact CD1-CE2 4.07Å; L900-L1012 HydrophobicContact CD2-CD1 3.89Å; L900-L1012 HydrophobicContact CD2-CD2 4.2Å
901	D	90.2	Very high	87.8	Confident	50 Å²	50	24 Å²	24	27%	0.267	14%	0.138	S	C	.	.	H	α-helix	trans	-64.5	-47.4	176.9	-66.3	-24	0	0	0	111.2	I861 H865 H897 M898 L903 S904 F905 Y1010	I861-D901 HydrophobicContact CG2-CB 3.86Å; H865-D901 IonicContact CE1-OD2 2.8Å; H865-D901 PolarHBondContact CE1-OD2 3.21Å; H865-D901 VanDerWaalsContact CE1-OD2 3.25Å; H865-D901 IonicContact NE2-OD2 3.75Å; H865-D901 PolarHBondContact NE2-OD2 3.32Å; H897-D901 PolarHBondContact O-N 2.93Å; M898-D901 PolarHBondContact O-N 3.04Å; D901-L903 PolarHBondContact O-N 3.49Å; D901-S904 PolarHBondContact O-N 3.31Å; D901-F905 WeakPolarHBondContact O-CB 3.27Å; D901-F905 PolarHBondContact O-N 3.22Å; D901-Y1010 WeakPolarHBondContact OD1-CE1 3.48Å
902	L	90.1	Very high	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-43.1	175.8	-73	175.5	0	0	0	112.1	Y828 F858 I861 L862 M898 F905 V906	Y828-L902 HydrophobicContact CE1-CD1 4.18Å; Y828-L902 HydrophobicContact CE2-CD1 4.32Å; Y828-L902 WeakPolarHBondContact OH-CD1 3.34Å; F858-L902 HydrophobicContact CB-CD2 3.88Å; F858-L902 HydrophobicContact CD1-CD2 3.56Å; F858-L902 HydrophobicContact CD2-CD2 4.18Å; F858-L902 HydrophobicContact CE1-CD2 4.09Å; F858-L902 HydrophobicContact CG-CD2 3.6Å; I861-L902 HydrophobicContact CB-CD2 4.17Å; I861-L902 HydrophobicContact CD1-CD2 3.88Å; I861-L902 HydrophobicContact CG2-CD2 4.15Å; I861-L902 HydrophobicContact CG2-CG 4.28Å; L862-L902 HydrophobicContact CD1-CD1 4.47Å; M898-L902 HydrophobicContact CG-CD1 4.1Å; M898-L902 HydrophobicContact CG-CG 4.39Å; M898-L902 WeakPolarHBondContact O-CB 3.38Å; M898-L902 VanDerWaalsContact O-CG 3.26Å; M898-L902 WeakPolarHBondContact O-CG 3.4Å; M898-L902 PolarHBondContact O-N 3.28Å; M898-L902 HydrophobicContact SD-CD1 3.42Å; M898-L902 WeakPolarHBondContact SD-CD1 3.27Å; M898-L902 HydrophobicContact SD-CG 4.32Å; L902-F905 PolarHBondContact O-N 2.84Å; L902-V906 WeakPolarHBondContact O-CG2 3.36Å; L902-V906 PolarHBondContact O-N 2.87Å
903	L	88.6	Confident	85.9	Confident	5 Å²	5	33 Å²	33	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-36	178	-179	56.8	0	0	0	112.2	A899 L900 D901 G907 I923 L962 I964 L1012 P1013	A899-L903 VanDerWaalsContact O-CB 3.27Å; A899-L903 WeakPolarHBondContact O-CB 3.46Å; A899-L903 PolarHBondContact O-N 2.92Å; A899-L903 VanDerWaalsContact O-N 3.17Å; L900-L903 PolarHBondContact O-N 3.31Å; D901-L903 PolarHBondContact O-N 3.49Å; L903-G907 PolarHBondContact O-N 2.9Å; L903-I923 HydrophobicContact CB-CD1 4.16Å; L903-L962 HydrophobicContact CD1-CB 4.11Å; L903-L962 HydrophobicContact CD1-CD2 3.85Å; L903-I964 HydrophobicContact CD2-CD1 4.15Å; L903-I964 HydrophobicContact CD2-CG1 4.04Å; L903-L1012 HydrophobicContact CB-CD2 4.28Å; L903-L1012 HydrophobicContact CD2-CD2 4.12Å; L903-L1012 HydrophobicContact CG-CD2 4.06Å; L903-P1013 HydrophobicContact CD1-CG 4.19Å
904	S	87.4	Confident	84.9	Confident	26 Å²	26	32.3 Å²	32.3	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-69.9	-33.8	173.4	-166.6	0	0	0	0	112.5	L900 D901	L900-S904 WeakPolarHBondContact O-CB 3.39Å; L900-S904 PolarHBondContact O-N 2.93Å; D901-S904 PolarHBondContact O-N 3.31Å
905	F	86.8	Confident	83.8	Confident	42 Å²	42	34.2 Å²	34.2	18%	0.184	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-48.7	174.9	168.3	-101.6	0	0	0	111.7	N857 F858 I861 D901 L902 G907 T908 F909	N857-F905 HydrophobicContact CB-CE1 3.66Å; N857-F905 HydrophobicContact CB-CE2 3.95Å; N857-F905 HydrophobicContact CB-CZ 3.29Å; F858-F905 HydrophobicContact CD1-CD1 4.19Å; F858-F905 HydrophobicContact CD1-CE1 4.22Å; F858-F905 AromaticContact CE1-CD1 3.99Å; F858-F905 HydrophobicContact CE1-CD1 3.99Å; F858-F905 HydrophobicContact CE1-CE1 4.1Å; I861-F905 HydrophobicContact CD1-CB 3.76Å; I861-F905 HydrophobicContact CD1-CD1 4.34Å; I861-F905 HydrophobicContact CD1-CD2 4.47Å; I861-F905 HydrophobicContact CD1-CG 3.93Å; D901-F905 WeakPolarHBondContact O-CB 3.27Å; D901-F905 PolarHBondContact O-N 3.22Å; L902-F905 PolarHBondContact O-N 2.84Å; F905-G907 PolarHBondContact O-N 3.17Å; F905-T908 WeakPolarHBondContact O-CA 3.39Å; F905-T908 PolarHBondContact O-N 3.39Å; F905-T908 PolarHBondContact O-OG1 3.29Å; F905-F909 HydrophobicContact CE1-CB 4.05Å; F905-F909 AromaticContact CE1-CD2 4Å; F905-F909 HydrophobicContact CE1-CD2 4Å; F905-F909 HydrophobicContact CE1-CG 4.01Å; F905-F909 HydrophobicContact CE2-CD2 4.21Å; F905-F909 HydrophobicContact CZ-CB 3.98Å; F905-F909 AromaticContact CZ-CD2 3.4Å; F905-F909 HydrophobicContact CZ-CD2 3.4Å; F905-F909 HydrophobicContact CZ-CE2 4.08Å; F905-F909 AromaticContact CZ-CG 3.84Å; F905-F909 HydrophobicContact CZ-CG 3.84Å; F905-F909 PolarHBondContact O-N 3.04Å
906	V	85.4	Confident	82.4	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-32.3	-179.9	169.1	0	0	0	0	112.1	F858 L902 T908 F909 L919 I921	F858-V906 HydrophobicContact CE1-CG2 3.84Å; F858-V906 HydrophobicContact CZ-CG2 3.95Å; L902-V906 WeakPolarHBondContact O-CG2 3.36Å; L902-V906 PolarHBondContact O-N 2.87Å; V906-T908 PolarHBondContact O-N 3.06Å; V906-T908 VanDerWaalsContact O-N 3.08Å; V906-F909 PolarHBondContact O-N 2.66Å; V906-L919 HydrophobicContact CG1-CB 4.19Å; V906-L919 HydrophobicContact CG1-CD2 4.31Å; V906-L919 HydrophobicContact CG1-CG 4.21Å; V906-L919 VanDerWaalsContact CG1-O 3.26Å; V906-L919 WeakPolarHBondContact CG1-O 3.23Å; V906-L919 HydrophobicContact CG2-CD2 4.5Å; V906-I921 HydrophobicContact CB-CD1 4.5Å; V906-I921 HydrophobicContact CG1-CG1 4.34Å; V906-I921 HydrophobicContact CG2-CD1 3.97Å; V906-I921 HydrophobicContact CG2-CG1 4.38Å; V906-I921 HydrophobicContact CG2-CG2 4.45Å
907	G	77.8	Confident	81.5	Confident	43 Å²	43	36.6 Å²	36.6	44%	0.443	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.6	172	0	0	0	0	0	115.7	L903 F905	L903-G907 PolarHBondContact O-N 2.9Å; F905-G907 PolarHBondContact O-N 3.17Å
908	T	79.1	Confident	80.5	Confident	108 Å²	108	38.4 Å²	38.4	66%	0.663	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	2.2	-179.8	62.5	0	0	0	0	114.1	F905 V906	F905-T908 WeakPolarHBondContact O-CA 3.39Å; F905-T908 PolarHBondContact O-N 3.39Å; F905-T908 PolarHBondContact O-OG1 3.29Å; V906-T908 PolarHBondContact O-N 3.06Å; V906-T908 VanDerWaalsContact O-N 3.08Å
909	F	81.5	Confident	79.9	Confident	26 Å²	26	38.9 Å²	38.9	11%	0.114	23%	0.229	C	C	.	.			trans	-97.6	127.7	-173	-178.6	-106.3	0	0	0	112.1	E853 I854 F905 V906 L911 L919	E853-F909 HydrophobicContact CB-CZ 4.3Å; I854-F909 HydrophobicContact CD1-CE1 4.39Å; I854-F909 HydrophobicContact CG1-CD1 4.43Å; I854-F909 HydrophobicContact CG1-CE1 3.54Å; I854-F909 HydrophobicContact CG1-CZ 4.01Å; F905-F909 HydrophobicContact CE1-CB 4.05Å; F905-F909 AromaticContact CE1-CD2 4Å; F905-F909 HydrophobicContact CE1-CD2 4Å; F905-F909 HydrophobicContact CE1-CG 4.01Å; F905-F909 HydrophobicContact CE2-CD2 4.21Å; F905-F909 HydrophobicContact CZ-CB 3.98Å; F905-F909 AromaticContact CZ-CD2 3.4Å; F905-F909 HydrophobicContact CZ-CD2 3.4Å; F905-F909 HydrophobicContact CZ-CE2 4.08Å; F905-F909 AromaticContact CZ-CG 3.84Å; F905-F909 HydrophobicContact CZ-CG 3.84Å; F905-F909 PolarHBondContact O-N 3.04Å; V906-F909 PolarHBondContact O-N 2.66Å; F909-L911 HydrophobicContact CE1-CD2 3.78Å; F909-L919 HydrophobicContact CD1-CD2 3.85Å; F909-L919 HydrophobicContact CE1-CD2 4.24Å
910	E	77.8	Confident	79.5	Confident	126 Å²	126	40.3 Å²	40.3	59%	0.589	24%	0.235	S	C	*	.			trans	-114.8	144	175.9	-65.5	-168.4	-175.7	0	0	111.8
911	L	75.8	Confident	79.4	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-83.7	121.4	-178.7	-60.5	172.5	0	0	0	111	M850 I854 F909 H913 L914 P915	M850-L911 HydrophobicContact CG-CD2 3.83Å; M850-L911 HydrophobicContact SD-CD1 4.16Å; M850-L911 HydrophobicContact SD-CD2 3.93Å; I854-L911 HydrophobicContact CD1-CD2 4.49Å; F909-L911 HydrophobicContact CE1-CD2 3.78Å; L911-H913 PolarHBondContact O-N 2.96Å; L911-H913 VanDerWaalsContact O-N 3.12Å; L911-L914 HydrophobicContact CB-CB 4.24Å; L911-L914 HydrophobicContact CD1-CB 4.43Å; L911-L914 CarbonylContact O-C 3.48Å; L911-L914 PolarHBondContact O-N 2.94Å; L911-P915 WeakPolarHBondContact O-CA 3.4Å
912	Q	73.5	Confident	79.5	Confident	150 Å²	150	40.4 Å²	40.4	70%	0.701	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.6	-178.1	-65.6	-169.8	38.2	0	0	114.5	E853	E853-Q912 PolarHBondContact OE1-NE2 3.16Å; E853-Q912 WeakPolarHBondContact OE2-CG 3.33Å; E853-Q912 PolarHBondContact OE2-NE2 3.47Å
913	H	72.8	Confident	79.6	Confident	41 Å²	41	40.4 Å²	40.4	19%	0.19	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-12.9	-179.9	71.5	-78.7	0	0	0	113.5	S842 L911	S842-H913 PolarHBondContact OG-CD2 2.81Å; S842-H913 PolarHBondContact OG-NE2 3.5Å; S842-H913 VanDerWaalsContact OG-NE2 3.13Å; L911-H913 PolarHBondContact O-N 2.96Å; L911-H913 VanDerWaalsContact O-N 3.12Å
914	L	70.6	Confident	79.9	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-142.7	63.3	179.4	-75.1	174.4	0	0	0	110.5	L838 L911 I917 L1036	L838-L914 HydrophobicContact CD2-CD1 4Å; L911-L914 HydrophobicContact CB-CB 4.24Å; L911-L914 HydrophobicContact CD1-CB 4.43Å; L911-L914 CarbonylContact O-C 3.48Å; L911-L914 PolarHBondContact O-N 2.94Å; L914-I917 HydrophobicContact CB-CD1 4.01Å; L914-I917 HydrophobicContact CB-CG1 4.3Å; L914-I917 HydrophobicContact CD1-CD1 4.37Å; L914-I917 HydrophobicContact CD2-CD1 4.08Å; L914-I917 HydrophobicContact CG-CD1 4.38Å; L914-I917 PolarHBondContact O-N 3.47Å; L914-L1036 HydrophobicContact CD2-CD2 4.21Å; L914-L1036 HydrophobicContact CD2-CG 4.23Å
915	P	68.2	Low	80.3	Confident	65 Å²	65	39.2 Å²	39.2	42%	0.422	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	145.3	-175.9	26.3	-35.1	0	0	0	111.9	L911 I917	L911-P915 WeakPolarHBondContact O-CA 3.4Å; P915-I917 VanDerWaalsContact C-N 3.3Å; P915-I917 PolarHBondContact O-N 3.28Å
916	G	65.5	Low	80.7	Confident	50 Å²	50	37.9 Å²	37.9	52%	0.515	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	1.9	-176.9	0	0	0	0	0	116.2
917	I	72.6	Confident	81.1	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-92.5	120.1	172.1	-53.8	-164.2	0	0	0	109.3	L914 P915 L919 L1028 M1031 I1032	L914-I917 HydrophobicContact CB-CD1 4.01Å; L914-I917 HydrophobicContact CB-CG1 4.3Å; L914-I917 HydrophobicContact CD1-CD1 4.37Å; L914-I917 HydrophobicContact CD2-CD1 4.08Å; L914-I917 HydrophobicContact CG-CD1 4.38Å; L914-I917 PolarHBondContact O-N 3.47Å; P915-I917 VanDerWaalsContact C-N 3.3Å; P915-I917 PolarHBondContact O-N 3.28Å; I917-L919 PolarHBondContact O-N 3.35Å; I917-L1028 HydrophobicContact CG2-CD1 3.56Å; I917-M1031 HydrophobicContact CB-SD 4.47Å; I917-M1031 HydrophobicContact CD1-CG 4.36Å; I917-M1031 HydrophobicContact CG1-CG 4.23Å; I917-M1031 HydrophobicContact CG1-SD 4.12Å; I917-M1031 HydrophobicContact CG2-SD 4.4Å; I917-I1032 HydrophobicContact CD1-CB 4.22Å; I917-I1032 HydrophobicContact CD1-CG1 3.58Å
918	P	70.1	Confident	81.8	Confident	59 Å²	59	36.2 Å²	36.2	38%	0.383	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-74.4	127	-175.7	29.8	-34.7	0	0	0	111.5	W920	P918-W920 HydrophobicContact CG-CZ2 3.84Å
919	L	80.3	Confident	82.5	Confident	10 Å²	10	34.8 Å²	34.8	5%	0.052	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-75.7	131.9	172.1	-173.7	66.8	0	0	0	110.1	I832 I854 V906 F909 I917	I832-L919 HydrophobicContact CG2-CD1 3.73Å; I854-L919 HydrophobicContact CD1-CD1 4.43Å; I854-L919 HydrophobicContact CD1-CD2 3.86Å; I854-L919 HydrophobicContact CG1-CD2 4.15Å; V906-L919 HydrophobicContact CG1-CB 4.19Å; V906-L919 HydrophobicContact CG1-CD2 4.31Å; V906-L919 HydrophobicContact CG1-CG 4.21Å; V906-L919 VanDerWaalsContact CG1-O 3.26Å; V906-L919 WeakPolarHBondContact CG1-O 3.23Å; V906-L919 HydrophobicContact CG2-CD2 4.5Å; F909-L919 HydrophobicContact CD1-CD2 3.85Å; F909-L919 HydrophobicContact CE1-CD2 4.24Å; I917-L919 PolarHBondContact O-N 3.35Å
920	W	85.5	Confident	83	Confident	30 Å²	30	33.6 Å²	33.6	11%	0.114	19%	0.188	C	C	.	.			trans	-121.6	128.4	177.1	-60.9	-30.1	0	0	0	110.6	V833 P918 L1024 L1028	V833-W920 HydrophobicContact CB-CB 3.98Å; V833-W920 HydrophobicContact CG1-CE3 4.5Å; V833-W920 HydrophobicContact CG2-CB 4.2Å; V833-W920 PolarHBondContact N-O 3.48Å; P918-W920 HydrophobicContact CG-CZ2 3.84Å; W920-L1024 HydrophobicContact CH2-CB 3.96Å; W920-L1024 HydrophobicContact CH2-CD2 4.28Å; W920-L1024 HydrophobicContact CZ3-CB 4.42Å; W920-L1028 HydrophobicContact CH2-CD1 4.5Å; W920-L1028 HydrophobicContact CZ3-CD1 4.49Å; W920-L1028 HydrophobicContact CZ3-CD2 4.11Å
921	I	88.9	Confident	83.6	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.2	172.9	60.2	170.1	0	0	0	111.9	D831 I832 V906 I923 L962	D831-I921 CarbonylContact O-C 3.55Å; D831-I921 WeakPolarHBondContact O-CA 3.4Å; D831-I921 WeakPolarHBondContact O-CB 3.43Å; I832-I921 HydrophobicContact CG1-CG2 4.36Å; V906-I921 HydrophobicContact CB-CD1 4.5Å; V906-I921 HydrophobicContact CG1-CG1 4.34Å; V906-I921 HydrophobicContact CG2-CD1 3.97Å; V906-I921 HydrophobicContact CG2-CG1 4.38Å; V906-I921 HydrophobicContact CG2-CG2 4.45Å; I921-I923 HydrophobicContact CD1-CD1 3.76Å; I921-I923 HydrophobicContact CD1-CG1 3.91Å; I921-I923 HydrophobicContact CG1-CD1 4.43Å; I921-I923 HydrophobicContact CG1-CG1 4.33Å; I921-L962 PolarHBondContact O-N 3.47Å
922	R	90.6	Very high	84.2	Confident	51 Å²	51	29 Å²	29	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.7	160.4	-65.5	-170.7	-52	-81.2	2.7	108.4	S830 D831 V833 E956	S830-R922 WeakPolarHBondContact CA-O 3.49Å; S830-R922 PolarHBondContact OG-O 3.3Å; D831-R922 PolarHBondContact N-O 2.99Å; D831-R922 VanDerWaalsContact N-O 3.11Å; D831-R922 PolarHBondContact O-N 2.98Å; D831-R922 IonicContact OD2-CZ 2.97Å; D831-R922 IonicContact OD2-NH1 3.77Å; D831-R922 PolarHBondContact OD2-NH1 2.89Å; D831-R922 IonicContact OD2-NH2 2.64Å; D831-R922 PolarHBondContact OD2-NH2 2.92Å; V833-R922 HydrophobicContact CG2-CG 3.72Å; R922-E956 HydrophobicContact CB-CG 4.44Å; R922-E956 IonicContact CZ-OE1 3.07Å; R922-E956 IonicContact NE-OE1 2.88Å; R922-E956 PolarHBondContact NE-OE1 3.21Å; R922-E956 IonicContact NH2-OE1 2.64Å; R922-E956 PolarHBondContact NH2-OE1 3.37Å; R922-E956 IonicContact NH2-OE2 2.77Å
923	I	93.5	Very high	84.8	Confident	1 Å²	1	22 Å²	22	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.9	178.4	-63.4	172.8	0	0	0	109.9	Y828 F829 A899 L903 I921 V925 I964 H965	Y828-I923 HydrophobicContact CD2-CG2 3.9Å; Y828-I923 HydrophobicContact CE2-CB 4.41Å; Y828-I923 HydrophobicContact CE2-CD1 4.21Å; Y828-I923 HydrophobicContact CE2-CG1 4.2Å; Y828-I923 HydrophobicContact CE2-CG2 3.4Å; F829-I923 WeakPolarHBondContact O-CA 3.36Å; A899-I923 HydrophobicContact CB-CG2 4.38Å; L903-I923 HydrophobicContact CB-CD1 4.16Å; I921-I923 HydrophobicContact CD1-CD1 3.76Å; I921-I923 HydrophobicContact CD1-CG1 3.91Å; I921-I923 HydrophobicContact CG1-CD1 4.43Å; I921-I923 HydrophobicContact CG1-CG1 4.33Å; I923-V925 HydrophobicContact CG2-CG2 4.01Å; I923-I964 HydrophobicContact CB-CG1 4.26Å; I923-I964 HydrophobicContact CD1-CG1 3.89Å; I923-I964 HydrophobicContact CG2-CB 4.32Å; I923-I964 HydrophobicContact CG2-CG1 4.14Å; I923-I964 HydrophobicContact CG2-CG2 4Å; I923-H965 WeakPolarHBondContact O-CB 3.22Å; I923-H965 PolarHBondContact O-N 2.87Å
924	G	93.9	Very high	85.4	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.6	173.3	0	0	0	0	0	112.6	F829	F829-G924 PolarHBondContact N-O 3.34Å; F829-G924 PolarHBondContact O-N 2.99Å
925	V	95.6	Very high	85.8	Confident	5 Å²	5	25 Å²	25	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.4	-177.9	-172.8	0	0	0	0	111.4	T826 I827 Y828 I895 I923 I964 H965 A966 S967 T970	T826-V925 HydrophobicContact CG2-CG1 3.42Å; T826-V925 VanDerWaalsContact CG2-CG1 3.42Å; I827-V925 WeakPolarHBondContact O-CA 3.29Å; Y828-V925 HydrophobicContact CD2-CG2 4.19Å; I895-V925 HydrophobicContact CG2-CG1 3.77Å; I895-V925 HydrophobicContact CG2-CG2 4.26Å; I923-V925 HydrophobicContact CG2-CG2 4.01Å; V925-I964 HydrophobicContact CG2-CG2 4.03Å; V925-H965 PolarHBondContact N-O 3.31Å; V925-A966 WeakPolarHBondContact O-CA 3.49Å; V925-S967 PolarHBondContact O-N 3.15Å; V925-S967 VanDerWaalsContact O-N 3.12Å; V925-T970 HydrophobicContact CG1-CG2 3.85Å; V925-T970 PolarHBondContact O-OG1 3.42Å
926	H	95.2	Very high	85.9	Confident	14 Å²	14	24.1 Å²	24.1	7%	0.065	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.5	177	173.7	63.1	0	0	0	111.8	I827 T948 A952 M955 S967 S969 T970	I827-H926 PolarHBondContact N-O 3.07Å; I827-H926 PolarHBondContact O-N 3.32Å; H926-T948 PolarHBondContact CD2-O 3.07Å; H926-A952 HydrophobicContact CB-CB 3.98Å; H926-M955 HydrophobicContact CB-CG 4.05Å; H926-S967 WeakPolarHBondContact CA-OG 3.29Å; H926-S967 WeakPolarHBondContact ND1-CB 3.44Å; H926-S967 PolarHBondContact ND1-OG 3.44Å; H926-S969 PolarHBondContact CE1-OG 2.85Å; H926-S969 PolarHBondContact ND1-OG 2.61Å; H926-T970 WeakPolarHBondContact CA-OG1 3.3Å
927	S	94.8	Very high	85.9	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.9	-176.9	-46.9	0	0	0	0	112	V825 T826 S969 T970	V825-S927 CarbonylContact O-C 3.52Å; V825-S927 WeakPolarHBondContact O-CA 2.86Å; T826-S927 PolarHBondContact OG1-OG 2.8Å; S927-S969 PolarHBondContact N-OG 2.93Å; S927-S969 WeakPolarHBondContact O-CB 3.3Å; S927-S969 PolarHBondContact O-OG 3.35Å; S927-T970 PolarHBondContact N-OG1 3.29Å; S927-T970 WeakPolarHBondContact OG-CA 3.47Å; S927-T970 WeakPolarHBondContact OG-CB 3.44Å; S927-T970 PolarHBondContact OG-OG1 2.87Å
928	G	92.8	Very high	85.4	Confident	9 Å²	9	40.7 Å²	40.7	9%	0.093	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-171.5	-179	0	0	0	0	0	112.7	V825 T948	V825-G928 VanDerWaalsContact CG2-O 3.29Å; V825-G928 WeakPolarHBondContact CG2-O 3.36Å; V825-G928 PolarHBondContact N-O 3.22Å; V825-G928 PolarHBondContact O-N 3.08Å; G928-T948 VanDerWaalsContact C-OG1 3.31Å; G928-T948 WeakPolarHBondContact CA-OG1 3.42Å
929	P	92.2	Very high	85.4	Confident	77 Å²	77	43.7 Å²	43.7	50%	0.5	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	143.5	-174.9	28.4	-34.5	0	0	0	114	F822 E823 T948	F822-P929 VanDerWaalsContact O-CA 3.25Å; F822-P929 WeakPolarHBondContact O-CA 3.38Å; E823-P929 VanDerWaalsContact O-CA 3.25Å; E823-P929 WeakPolarHBondContact O-CA 3.46Å; E823-P929 VanDerWaalsContact O-CB 3.32Å; E823-P929 WeakPolarHBondContact O-CB 3.45Å; P929-T948 PolarHBondContact O-OG1 3.28Å
930	C	92.4	Very high	85.1	Confident	2 Å²	2	46 Å²	46	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.7	169.9	81.9	0	0	0	0	112.2	F822 V825	F822-C930 PolarHBondContact N-O 2.93Å; F822-C930 PolarHBondContact O-N 2.88Å; V825-C930 HydrophobicContact CG2-CB 4.21Å; V825-C930 VanDerWaalsContact CG2-SG 3.58Å
931	A	90	Very high	84.9	Confident	32 Å²	32	49.3 Å²	49.3	26%	0.264	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.1	165.1	0	0	0	0	0	109.6	E820 L821 F945	E820-A931 CarbonylContact O-C 3.51Å; E820-A931 WeakPolarHBondContact O-CA 3.47Å; L821-A931 HydrophobicContact CD1-CB 4.32Å; A931-F945 PolarHBondContact N-O 3.12Å; A931-F945 PolarHBondContact O-N 2.84Å
932	A	89.5	Confident	84.7	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.6	176.1	0	0	0	0	0	110.7	P819 E820 F822 Y942 C943 L944	P819-A932 CarbonylContact C-O 3.48Å; P819-A932 VanDerWaalsContact CA-O 3.27Å; P819-A932 WeakPolarHBondContact CA-O 3.33Å; E820-A932 PolarHBondContact N-O 3.08Å; E820-A932 PolarHBondContact O-N 3.37Å; F822-A932 HydrophobicContact CD2-CB 4.11Å; F822-A932 HydrophobicContact CE2-CB 3.79Å; A932-Y942 HydrophobicContact CB-CE1 4.11Å; A932-Y942 HydrophobicContact CB-CE2 4.23Å; A932-Y942 VanDerWaalsContact CB-OH 3.28Å; A932-Y942 WeakPolarHBondContact CB-OH 3.35Å; A932-C943 WeakPolarHBondContact CA-O 3.41Å; A932-L944 HydrophobicContact CB-CD2 3.43Å; A932-L944 VanDerWaalsContact CB-CD2 3.43Å
933	G	86.6	Confident	84.5	Confident	4 Å²	4	48.4 Å²	48.4	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	168.1	-178.3	0	0	0	0	0	113.8	C943	G933-C943 PolarHBondContact N-O 2.77Å; G933-C943 VanDerWaalsContact N-O 3.12Å; G933-C943 PolarHBondContact O-N 3.35Å
934	V	84.6	Confident	84.3	Confident	35 Å²	35	49.2 Å²	49.2	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.7	178.2	-179.5	0	0	0	0	110.6	V807 V817 P940 R941 Y942	V807-V934 HydrophobicContact CG1-CG2 3.35Å; V817-V934 HydrophobicContact CB-CB 4.27Å; V817-V934 HydrophobicContact CB-CG2 3.89Å; V817-V934 HydrophobicContact CG1-CG2 4.05Å; V817-V934 HydrophobicContact CG2-CG2 4.03Å; V934-P940 HydrophobicContact CG1-CB 3.48Å; V934-P940 VanDerWaalsContact CG1-CB 3.48Å; V934-R941 CarbonylContact C-O 3.6Å; V934-R941 VanDerWaalsContact CA-O 3.3Å; V934-R941 WeakPolarHBondContact CA-O 3.38Å; V934-Y942 HydrophobicContact CG2-CD2 4.16Å
935	V	79.2	Confident	83.9	Confident	69 Å²	69	54.8 Å²	54.8	42%	0.418	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.9	179.5	-176.8	0	0	0	0	110.1	R941 C943 F945	V935-R941 PolarHBondContact N-O 3.11Å; V935-R941 PolarHBondContact O-N 2.86Å; V935-C943 HydrophobicContact CG2-CB 4.13Å; V935-F945 HydrophobicContact CG2-CE2 3.84Å; V935-F945 HydrophobicContact CG2-CZ 3.92Å
936	G	70.1	Confident	83.5	Confident	48 Å²	48	56 Å²	56	50%	0.495	31%	0.305	S	S	.	.			trans	90.4	135	178.5	0	0	0	0	0	113.8	P940	G936-P940 WeakPolarHBondContact O-CA 3.24Å
937	H	65.4	Low	83.1	Confident	191 Å²	191	58.8 Å²	58.8	88%	0.884	32%	0.321	S	S	*	.	S	Bend	trans	-92.1	-36.6	-177.5	-172.8	58.5	0	0	0	113.5
938	K	62.6	Low	82.9	Confident	210 Å²	210	58.8 Å²	58.8	91%	0.913	32%	0.321	S	S	*	.	S	Bend	trans	-86.5	-21.1	178.3	-71.1	-173.4	175.5	-176.7	0	114.2
939	M	70.6	Confident	82.8	Confident	123 Å²	123	59.5 Å²	59.5	61%	0.606	32%	0.323	S	S	*	.	S	Bend	trans	-145.1	83.8	176.7	-173.3	-175.9	-166.2	0	0	107	R941	M939-R941 PolarHBondContact O-N 3.4Å; M939-R941 PolarHBondContact SD-NH2 2.72Å
940	P	73.7	Confident	82.6	Confident	57 Å²	57	60 Å²	60	37%	0.37	32%	0.322	S	S	.	.			trans	-68.3	125.5	-177.5	26.4	-33.3	0	0	0	110.8	L803 V934 G936	L803-P940 HydrophobicContact CD1-CB 4.27Å; L803-P940 HydrophobicContact CD1-CG 4.18Å; V934-P940 HydrophobicContact CG1-CB 3.48Å; V934-P940 VanDerWaalsContact CG1-CB 3.48Å; G936-P940 WeakPolarHBondContact O-CA 3.24Å
941	R	80.4	Confident	82.5	Confident	100 Å²	100	59.9 Å²	59.9	38%	0.377	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.2	-179	-65.5	167.5	169.7	-124.2	-0.9	109.7	E871 V934 V935 M939 C943	E871-R941 WeakPolarHBondContact OE1-CD 3.5Å; E871-R941 WeakPolarHBondContact OE1-CG 3.44Å; E871-R941 IonicContact OE1-CZ 3.98Å; E871-R941 VanDerWaalsContact OE1-CZ 3.24Å; E871-R941 IonicContact OE1-NE 3.29Å; E871-R941 PolarHBondContact OE1-NE 3.43Å; E871-R941 IonicContact OE1-NH1 2.7Å; E871-R941 PolarHBondContact OE1-NH1 2.63Å; E871-R941 IonicContact OE2-CZ 3.81Å; E871-R941 IonicContact OE2-NH1 2.63Å; E871-R941 PolarHBondContact OE2-NH1 2.93Å; V934-R941 CarbonylContact C-O 3.6Å; V934-R941 VanDerWaalsContact CA-O 3.3Å; V934-R941 WeakPolarHBondContact CA-O 3.38Å; V935-R941 PolarHBondContact N-O 3.11Å; V935-R941 PolarHBondContact O-N 2.86Å; M939-R941 PolarHBondContact O-N 3.4Å; M939-R941 PolarHBondContact SD-NH2 2.72Å; R941-C943 PolarHBondContact O-N 2.89Å
942	Y	85.4	Confident	82.6	Confident	13 Å²	13	58.4 Å²	58.4	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	101.5	176.1	-170.6	-108	0	0	0	109.8	P804 V807 Y868 L883 A932 V934	P804-Y942 HydrophobicContact CG-CD1 3.73Å; P804-Y942 HydrophobicContact CG-CD2 4.34Å; P804-Y942 HydrophobicContact CG-CE1 4.01Å; P804-Y942 HydrophobicContact CG-CG 3.9Å; V807-Y942 HydrophobicContact CG1-CD2 4.37Å; V807-Y942 HydrophobicContact CG2-CD2 3.83Å; V807-Y942 HydrophobicContact CG2-CE2 3.65Å; Y868-Y942 HydrophobicContact CD1-CD1 4.44Å; Y868-Y942 AromaticContact CE1-CD1 3.7Å; Y868-Y942 HydrophobicContact CE1-CD1 3.7Å; Y868-Y942 HydrophobicContact CE1-CE1 4.31Å; L883-Y942 HydrophobicContact CD1-CE1 3.93Å; A932-Y942 HydrophobicContact CB-CE1 4.11Å; A932-Y942 HydrophobicContact CB-CE2 4.23Å; A932-Y942 VanDerWaalsContact CB-OH 3.28Å; A932-Y942 WeakPolarHBondContact CB-OH 3.35Å; V934-Y942 HydrophobicContact CG2-CD2 4.16Å
943	C	86.1	Confident	82.6	Confident	21 Å²	21	60.5 Å²	60.5	14%	0.142	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	151.4	-170.4	-60.4	0	0	0	0	111.8	A932 G933 V935 R941 F945	A932-C943 WeakPolarHBondContact CA-O 3.41Å; G933-C943 PolarHBondContact N-O 2.77Å; G933-C943 VanDerWaalsContact N-O 3.12Å; G933-C943 PolarHBondContact O-N 3.35Å; V935-C943 HydrophobicContact CG2-CB 4.13Å; R941-C943 PolarHBondContact O-N 2.89Å; C943-F945 HydrophobicContact CB-CD2 4.48Å; C943-F945 HydrophobicContact CB-CE2 3.59Å; C943-F945 HydrophobicContact CB-CZ 3.75Å
944	L	88.7	Confident	82.7	Confident	18 Å²	18	63.3 Å²	63.3	9%	0.094	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.1	176.3	-59.6	-177.1	0	0	0	110.8	I827 V870 M878 A880 L883 A932 V949	I827-L944 HydrophobicContact CD1-CD1 4.26Å; V870-L944 HydrophobicContact CG1-CD1 4.28Å; V870-L944 HydrophobicContact CG1-CG 4.31Å; V870-L944 HydrophobicContact CG2-CD1 3.82Å; M878-L944 HydrophobicContact CE-CD1 3.89Å; A880-L944 HydrophobicContact CB-CD1 3.95Å; L883-L944 HydrophobicContact CD1-CD1 4.46Å; L883-L944 HydrophobicContact CD1-CD2 3.9Å; L883-L944 HydrophobicContact CD2-CD1 3.87Å; L883-L944 HydrophobicContact CD2-CD2 3.66Å; L883-L944 HydrophobicContact CD2-CG 4.45Å; L883-L944 HydrophobicContact CG-CD2 4.45Å; A932-L944 HydrophobicContact CB-CD2 3.43Å; A932-L944 VanDerWaalsContact CB-CD2 3.43Å; L944-V949 HydrophobicContact CB-CG2 3.93Å
945	F	85.9	Confident	83	Confident	116 Å²	116	61.7 Å²	61.7	51%	0.509	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.2	-178.4	-62.2	-78.3	0	0	0	110.5	A931 V935 C943	A931-F945 PolarHBondContact N-O 3.12Å; A931-F945 PolarHBondContact O-N 2.84Å; V935-F945 HydrophobicContact CG2-CE2 3.84Å; V935-F945 HydrophobicContact CG2-CZ 3.92Å; C943-F945 HydrophobicContact CB-CD2 4.48Å; C943-F945 HydrophobicContact CB-CE2 3.59Å; C943-F945 HydrophobicContact CB-CZ 3.75Å
946	G	86.7	Confident	83.6	Confident	31 Å²	31	59.2 Å²	59.2	32%	0.32	31%	0.307	S	S	.	.	S	Bend	trans	159.2	165.8	176.5	0	0	0	0	0	113.4	T948 V949 N950	G946-T948 PolarHBondContact O-N 3.44Å; G946-V949 PolarHBondContact O-N 2.82Å; G946-N950 PolarHBondContact O-ND2 3.46Å; G946-N950 VanDerWaalsContact O-ND2 3.12Å
947	D	87.8	Confident	84.4	Confident	72 Å²	72	60.1 Å²	60.1	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-69.5	-22.6	175.2	176.9	57.4	0	0	0	112.4	V949 N950 T951 R954 K994	D947-V949 VanDerWaalsContact C-N 3.34Å; D947-V949 PolarHBondContact O-N 3.31Å; D947-N950 PolarHBondContact O-N 3.31Å; D947-T951 VanDerWaalsContact O-CB 3.3Å; D947-T951 WeakPolarHBondContact O-CB 3.42Å; D947-T951 PolarHBondContact O-N 3.12Å; D947-T951 PolarHBondContact O-OG1 3.39Å; D947-R954 IonicContact OD1-NH1 2.72Å; D947-K994 WeakPolarHBondContact OD2-CE 3.38Å; D947-K994 IonicContact OD2-NZ 2.64Å; D947-K994 PolarHBondContact OD2-NZ 3.12Å
948	T	91.2	Very high	85.5	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-37.2	171.3	-64.6	0	0	0	0	112.4	I827 H926 G928 P929 G946 T951 A952	I827-T948 HydrophobicContact CD1-CG2 3.97Å; I827-T948 HydrophobicContact CG1-CG2 4.21Å; H926-T948 PolarHBondContact CD2-O 3.07Å; G928-T948 VanDerWaalsContact C-OG1 3.31Å; G928-T948 WeakPolarHBondContact CA-OG1 3.42Å; P929-T948 PolarHBondContact O-OG1 3.28Å; G946-T948 PolarHBondContact O-N 3.44Å; T948-T951 PolarHBondContact O-N 3.16Å; T948-A952 WeakPolarHBondContact O-CB 3.43Å; T948-A952 PolarHBondContact O-N 2.91Å
949	V	89.9	Confident	86.6	Confident	23 Å²	23	43.4 Å²	43.4	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-50.3	173.9	-177.6	0	0	0	0	110.3	I827 F829 M878 L944 G946 D947 T951 A952 S953	I827-V949 HydrophobicContact CD1-CB 4.43Å; I827-V949 HydrophobicContact CD1-CG2 3.71Å; F829-V949 HydrophobicContact CE2-CG1 4.1Å; F829-V949 HydrophobicContact CZ-CG1 3.97Å; M878-V949 HydrophobicContact CE-CG1 3.84Å; M878-V949 HydrophobicContact CE-CG2 4.37Å; L944-V949 HydrophobicContact CB-CG2 3.93Å; G946-V949 PolarHBondContact O-N 2.82Å; D947-V949 VanDerWaalsContact C-N 3.34Å; D947-V949 PolarHBondContact O-N 3.31Å; V949-T951 VanDerWaalsContact C-N 3.3Å; V949-T951 PolarHBondContact O-N 3.27Å; V949-A952 PolarHBondContact O-N 3.33Å; V949-S953 PolarHBondContact O-N 3.32Å; V949-S953 VanDerWaalsContact O-N 3.1Å
950	N	88.8	Confident	87.2	Confident	88 Å²	88	41 Å²	41	47%	0.471	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-36.7	179.1	-69.5	-70.6	0	0	0	112.4	G946 D947 R954	G946-N950 PolarHBondContact O-ND2 3.46Å; G946-N950 VanDerWaalsContact O-ND2 3.12Å; D947-N950 PolarHBondContact O-N 3.31Å; N950-R954 WeakPolarHBondContact O-CD 3.19Å; N950-R954 WeakPolarHBondContact O-CG 3.47Å; N950-R954 PolarHBondContact O-N 3.06Å; N950-R954 VanDerWaalsContact O-N 3.13Å
951	T	89.6	Confident	87.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-77.5	-33.2	-179.6	-59.8	0	0	0	0	111.8	D947 T948 V949 R954 M955	D947-T951 VanDerWaalsContact O-CB 3.3Å; D947-T951 WeakPolarHBondContact O-CB 3.42Å; D947-T951 PolarHBondContact O-N 3.12Å; D947-T951 PolarHBondContact O-OG1 3.39Å; T948-T951 PolarHBondContact O-N 3.16Å; V949-T951 VanDerWaalsContact C-N 3.3Å; V949-T951 PolarHBondContact O-N 3.27Å; T951-R954 CarbonylContact O-C 3.51Å; T951-R954 PolarHBondContact O-N 2.89Å; T951-M955 WeakPolarHBondContact O-CG 3.4Å; T951-M955 PolarHBondContact O-N 3.48Å
952	A	91.4	Very high	88.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-43.9	171.5	0	0	0	0	0	112.3	I827 F829 H926 T948 V949 R954 M955 E956	I827-A952 HydrophobicContact CB-CB 3.95Å; I827-A952 HydrophobicContact CG2-CB 3.9Å; F829-A952 HydrophobicContact CD2-CB 3.6Å; F829-A952 HydrophobicContact CE2-CB 3.96Å; H926-A952 HydrophobicContact CB-CB 3.98Å; T948-A952 WeakPolarHBondContact O-CB 3.43Å; T948-A952 PolarHBondContact O-N 2.91Å; V949-A952 PolarHBondContact O-N 3.33Å; A952-R954 VanDerWaalsContact C-N 3.28Å; A952-R954 PolarHBondContact O-N 3.42Å; A952-M955 WeakPolarHBondContact O-CB 3.48Å; A952-M955 PolarHBondContact O-N 3.37Å; A952-E956 PolarHBondContact O-N 3.1Å; A952-E956 VanDerWaalsContact O-N 3.11Å
953	S	90.1	Very high	88.2	Confident	47 Å²	47	36.9 Å²	36.9	33%	0.329	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-33.9	171.8	168.9	0	0	0	0	112.6	V949 E956 S957	V949-S953 PolarHBondContact O-N 3.32Å; V949-S953 VanDerWaalsContact O-N 3.1Å; S953-E956 PolarHBondContact O-N 3.29Å; S953-S957 PolarHBondContact O-N 3.12Å; S953-S957 PolarHBondContact O-OG 2.84Å
954	R	89.3	Confident	88.5	Confident	63 Å²	63	36 Å²	36	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-28.6	171.1	-68	165.1	-166.2	148.9	-0.3	113.3	D947 N950 T951 A952 S957 T958 L991 K992	D947-R954 IonicContact OD1-NH1 2.72Å; N950-R954 WeakPolarHBondContact O-CD 3.19Å; N950-R954 WeakPolarHBondContact O-CG 3.47Å; N950-R954 PolarHBondContact O-N 3.06Å; N950-R954 VanDerWaalsContact O-N 3.13Å; T951-R954 CarbonylContact O-C 3.51Å; T951-R954 PolarHBondContact O-N 2.89Å; A952-R954 VanDerWaalsContact C-N 3.28Å; A952-R954 PolarHBondContact O-N 3.42Å; R954-S957 WeakPolarHBondContact CA-OG 3.22Å; R954-T958 WeakPolarHBondContact O-CB 3.37Å; R954-T958 WeakPolarHBondContact O-CG2 3.15Å; R954-T958 PolarHBondContact O-N 3.47Å; R954-T958 PolarHBondContact O-OG1 2.94Å; R954-L991 HydrophobicContact CB-CD2 4.24Å; R954-K992 VanDerWaalsContact CZ-O 3.28Å; R954-K992 PolarHBondContact NE-O 2.77Å
955	M	90.8	Very high	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-44.8	170.8	-69.1	-64.9	97.3	0	0	110.8	H926 T951 A952 G959 H965 L991 T999	H926-M955 HydrophobicContact CB-CG 4.05Å; T951-M955 WeakPolarHBondContact O-CG 3.4Å; T951-M955 PolarHBondContact O-N 3.48Å; A952-M955 WeakPolarHBondContact O-CB 3.48Å; A952-M955 PolarHBondContact O-N 3.37Å; M955-G959 PolarHBondContact O-N 3.04Å; M955-G959 VanDerWaalsContact O-N 3.1Å; M955-H965 PolarHBondContact O-ND1 2.86Å; M955-L991 HydrophobicContact CE-CD1 3.45Å; M955-L991 VanDerWaalsContact CE-CD1 3.45Å; M955-L991 HydrophobicContact CE-CD2 3.48Å; M955-L991 VanDerWaalsContact CE-CD2 3.48Å; M955-L991 HydrophobicContact CE-CG 4.09Å; M955-T999 HydrophobicContact CE-CG2 4Å; M955-T999 HydrophobicContact SD-CG2 3.98Å
956	E	91.3	Very high	89.2	Confident	18 Å²	18	29.8 Å²	29.8	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-57.5	178.2	172.7	-69.9	110.4	0	0	110.1	F829 D831 R922 A952 S953 T958 G959	F829-E956 HydrophobicContact CB-CB 3.84Å; F829-E956 HydrophobicContact CB-CG 4.21Å; D831-E956 HydrophobicContact CB-CG 4.07Å; D831-E956 WeakPolarHBondContact CB-OE1 3.32Å; R922-E956 HydrophobicContact CB-CG 4.44Å; R922-E956 IonicContact CZ-OE1 3.07Å; R922-E956 IonicContact NE-OE1 2.88Å; R922-E956 PolarHBondContact NE-OE1 3.21Å; R922-E956 IonicContact NH2-OE1 2.64Å; R922-E956 PolarHBondContact NH2-OE1 3.37Å; R922-E956 IonicContact NH2-OE2 2.77Å; A952-E956 PolarHBondContact O-N 3.1Å; A952-E956 VanDerWaalsContact O-N 3.11Å; S953-E956 PolarHBondContact O-N 3.29Å; E956-T958 PolarHBondContact O-N 3.11Å; E956-T958 VanDerWaalsContact O-N 3.15Å; E956-G959 WeakPolarHBondContact O-CA 3.39Å; E956-G959 PolarHBondContact O-N 3.35Å
957	S	87.6	Confident	89.5	Confident	67 Å²	67	28.3 Å²	28.3	47%	0.469	16%	0.155	S	C	.	.	H	α-helix	trans	-69.8	-14.3	-172.3	52.2	0	0	0	0	114.7	S953 R954	S953-S957 PolarHBondContact O-N 3.12Å; S953-S957 PolarHBondContact O-OG 2.84Å; R954-S957 WeakPolarHBondContact CA-OG 3.22Å
958	T	87.6	Confident	89.6	Confident	38 Å²	38	27 Å²	27	23%	0.233	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.4	168.6	62.5	0	0	0	0	113.3	R954 E956 H965 R986 T989 L991	R954-T958 WeakPolarHBondContact O-CB 3.37Å; R954-T958 WeakPolarHBondContact O-CG2 3.15Å; R954-T958 PolarHBondContact O-N 3.47Å; R954-T958 PolarHBondContact O-OG1 2.94Å; E956-T958 PolarHBondContact O-N 3.11Å; E956-T958 VanDerWaalsContact O-N 3.15Å; T958-H965 PolarHBondContact OG1-CE1 2.88Å; T958-R986 VanDerWaalsContact O-CZ 3.24Å; T958-R986 PolarHBondContact O-NH1 3.47Å; T958-R986 PolarHBondContact O-NH2 2.83Å; T958-T989 HydrophobicContact CG2-CG2 4.42Å; T958-L991 HydrophobicContact CG2-CD2 4.33Å
959	G	84.9	Confident	89.6	Confident	11 Å²	11	28.5 Å²	28.5	11%	0.113	16%	0.157	C	C	.	.	S	Bend	trans	-69.9	-179.8	178.2	0	0	0	0	0	113.5	M955 E956	M955-G959 PolarHBondContact O-N 3.04Å; M955-G959 VanDerWaalsContact O-N 3.1Å; E956-G959 WeakPolarHBondContact O-CA 3.39Å; E956-G959 PolarHBondContact O-N 3.35Å
960	L	84.9	Confident	89.7	Confident	73 Å²	73	27.5 Å²	27.5	38%	0.382	15%	0.152	S	C	.	.			trans	-113.1	152.5	172.4	-70.6	176.2	0	0	0	109.6	L962 R963 W1001	L960-L962 PolarHBondContact O-N 3.03Å; L960-R963 HydrophobicContact CB-CB 4.25Å; L960-R963 HydrophobicContact CB-CG 4.29Å; L960-R963 PolarHBondContact O-N 3.37Å; L960-W1001 HydrophobicContact CB-CH2 3.88Å; L960-W1001 HydrophobicContact CB-CZ2 4.42Å; L960-W1001 HydrophobicContact CB-CZ3 4.42Å; L960-W1001 HydrophobicContact CD1-CH2 3.95Å; L960-W1001 HydrophobicContact CD1-CZ2 3.65Å; L960-W1001 HydrophobicContact CG-CH2 3.69Å; L960-W1001 HydrophobicContact CG-CZ2 3.92Å
961	P	85.6	Confident	89.9	Confident	7 Å²	7	23.3 Å²	23.3	5%	0.045	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	139	172.5	-20.6	30.8	0	0	0	110.9	V833 R963 P1015 P1016 F1021	V833-P961 HydrophobicContact CG2-CB 4.25Å; V833-P961 HydrophobicContact CG2-CG 4.31Å; P961-R963 PolarHBondContact O-N 3.38Å; P961-P1015 WeakPolarHBondContact O-CB 3.4Å; P961-P1016 HydrophobicContact CB-CG 4.44Å; P961-F1021 HydrophobicContact CB-CE2 4.49Å; P961-F1021 HydrophobicContact CG-CD2 3.84Å; P961-F1021 HydrophobicContact CG-CE2 3.45Å; P961-F1021 VanDerWaalsContact CG-CE2 3.45Å; P961-F1021 HydrophobicContact CG-CZ 3.91Å
962	L	86.5	Confident	90	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	29	177.7	-51.5	174.8	0	0	0	113.9	L903 I921 L960 P1013 P1015	L903-L962 HydrophobicContact CD1-CB 4.11Å; L903-L962 HydrophobicContact CD1-CD2 3.85Å; I921-L962 PolarHBondContact O-N 3.47Å; L960-L962 PolarHBondContact O-N 3.03Å; L962-P1013 HydrophobicContact CB-CG 4.33Å; L962-P1013 HydrophobicContact CD1-CB 4.05Å; L962-P1013 HydrophobicContact CD1-CG 3.96Å; L962-P1013 HydrophobicContact CD2-CG 3.94Å; L962-P1013 HydrophobicContact CG-CG 4.3Å; L962-P1015 HydrophobicContact CB-CB 4.2Å
963	R	88.4	Confident	89.9	Confident	65 Å²	65	26.7 Å²	26.7	25%	0.245	15%	0.147	C	C	.	.			trans	-130.6	142.2	172.2	-73.8	-61.6	-143.9	-155	13.1	111.1	L960 P961 E984 W1001 P1015	L960-R963 HydrophobicContact CB-CB 4.25Å; L960-R963 HydrophobicContact CB-CG 4.29Å; L960-R963 PolarHBondContact O-N 3.37Å; P961-R963 PolarHBondContact O-N 3.38Å; R963-E984 IonicContact NH2-OE2 3.25Å; R963-E984 PolarHBondContact NH2-OE2 2.77Å; R963-W1001 HydrophobicContact CB-CD2 4.34Å; R963-W1001 HydrophobicContact CB-CE3 3.62Å; R963-W1001 HydrophobicContact CB-CH2 4.45Å; R963-W1001 HydrophobicContact CB-CZ3 3.67Å; R963-W1001 HydrophobicContact CG-CE3 4.29Å; R963-W1001 HydrophobicContact CG-CZ3 4.48Å; R963-P1015 HydrophobicContact CG-CB 4.08Å; R963-P1015 HydrophobicContact CG-CG 4.07Å
964	I	92.6	Very high	89.8	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	105.9	174.7	-60.1	164	0	0	0	108.4	A899 L900 L903 I923 V925 W1001 L1002	A899-I964 HydrophobicContact CB-CD1 3.83Å; A899-I964 HydrophobicContact CB-CG1 4.22Å; A899-I964 HydrophobicContact CB-CG2 4.28Å; L900-I964 HydrophobicContact CD2-CD1 3.69Å; L900-I964 HydrophobicContact CG-CD1 3.94Å; L903-I964 HydrophobicContact CD2-CD1 4.15Å; L903-I964 HydrophobicContact CD2-CG1 4.04Å; I923-I964 HydrophobicContact CB-CG1 4.26Å; I923-I964 HydrophobicContact CD1-CG1 3.89Å; I923-I964 HydrophobicContact CG2-CB 4.32Å; I923-I964 HydrophobicContact CG2-CG1 4.14Å; I923-I964 HydrophobicContact CG2-CG2 4Å; V925-I964 HydrophobicContact CG2-CG2 4.03Å; I964-W1001 WeakPolarHBondContact O-CA 3.46Å; I964-L1002 HydrophobicContact CB-CB 3.99Å; I964-L1002 HydrophobicContact CD1-CD2 4.23Å; I964-L1002 HydrophobicContact CG2-CB 3.81Å; I964-L1002 HydrophobicContact CG2-CD2 4.21Å; I964-L1002 PolarHBondContact O-N 3.15Å
965	H	93.9	Very high	89.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116.7	-179.9	-167	-149.2	0	0	0	110.9	I923 V925 M955 T958 R986 T999 W1001	I923-H965 WeakPolarHBondContact O-CB 3.22Å; I923-H965 PolarHBondContact O-N 2.87Å; V925-H965 PolarHBondContact N-O 3.31Å; M955-H965 PolarHBondContact O-ND1 2.86Å; T958-H965 PolarHBondContact OG1-CE1 2.88Å; H965-R986 PolarHBondContact CD2-NH1 3.03Å; H965-R986 PolarHBondContact CE1-NH1 3.11Å; H965-R986 PolarHBondContact NE2-NH1 3.35Å; H965-T999 WeakPolarHBondContact NE2-CB 3.42Å; H965-T999 PolarHBondContact NE2-OG1 2.86Å; H965-W1001 HydrophobicContact CB-CE3 4.13Å; H965-W1001 HydrophobicContact CB-CZ3 3.63Å; H965-W1001 AromaticContact CD2-CZ3 3.79Å; H965-W1001 AromaticContact CG-CZ3 3.86Å
966	A	93.8	Very high	89.4	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.5	-175.9	0	0	0	0	0	112.6	V925 I971 Y1000	V925-A966 WeakPolarHBondContact O-CA 3.49Å; A966-I971 HydrophobicContact CB-CD1 3.89Å; A966-I971 HydrophobicContact CB-CG1 4.04Å; A966-Y1000 PolarHBondContact N-O 3.22Å; A966-Y1000 PolarHBondContact O-N 2.9Å
967	S	93.1	Very high	89	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	161.3	172.6	69.9	0	0	0	0	113.1	V925 H926 S969 T970 I971	V925-S967 PolarHBondContact O-N 3.15Å; V925-S967 VanDerWaalsContact O-N 3.12Å; H926-S967 WeakPolarHBondContact CA-OG 3.29Å; H926-S967 WeakPolarHBondContact ND1-CB 3.44Å; H926-S967 PolarHBondContact ND1-OG 3.44Å; S967-S969 VanDerWaalsContact C-N 3.26Å; S967-S969 PolarHBondContact O-N 2.99Å; S967-S969 PolarHBondContact OG-OG 3.47Å; S967-S969 VanDerWaalsContact OG-OG 3.12Å; S967-T970 PolarHBondContact O-N 3.01Å; S967-T970 PolarHBondContact OG-OG1 2.92Å; S967-I971 PolarHBondContact O-N 3.05Å
968	Q	90.6	Very high	88.4	Confident	46 Å²	46	40.3 Å²	40.3	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-31.6	178.9	-177.2	59	94	0	0	113.1	N972 M998 Y1000	Q968-N972 PolarHBondContact NE2-OD1 3.13Å; Q968-N972 PolarHBondContact O-N 3.07Å; Q968-N972 PolarHBondContact O-ND2 2.93Å; Q968-N972 PolarHBondContact O-OD1 3.26Å; Q968-M998 WeakPolarHBondContact CB-O 3.26Å; Q968-Y1000 HydrophobicContact CB-CE2 4.42Å; Q968-Y1000 PolarHBondContact NE2-OH 3.32Å; Q968-Y1000 VanDerWaalsContact OE1-CE2 3.26Å; Q968-Y1000 PolarHBondContact OE1-OH 3.2Å
969	S	91.2	Very high	87.9	Confident	35 Å²	35	40.7 Å²	40.7	25%	0.245	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-49.9	177.9	59.1	0	0	0	0	111.9	H926 S927 S967 I971 N972 I973	H926-S969 PolarHBondContact CE1-OG 2.85Å; H926-S969 PolarHBondContact ND1-OG 2.61Å; S927-S969 PolarHBondContact N-OG 2.93Å; S927-S969 WeakPolarHBondContact O-CB 3.3Å; S927-S969 PolarHBondContact O-OG 3.35Å; S967-S969 VanDerWaalsContact C-N 3.26Å; S967-S969 PolarHBondContact O-N 2.99Å; S967-S969 PolarHBondContact OG-OG 3.47Å; S967-S969 VanDerWaalsContact OG-OG 3.12Å; S969-I971 VanDerWaalsContact C-N 3.3Å; S969-I971 PolarHBondContact O-N 3.24Å; S969-N972 WeakPolarHBondContact O-CB 3.44Å; S969-N972 PolarHBondContact O-N 3.13Å; S969-I973 PolarHBondContact O-N 3.38Å; S969-I973 VanDerWaalsContact O-N 3.16Å
970	T	92.8	Very high	87.8	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-54.5	-46.6	176	-47.4	0	0	0	0	111.5	T826 A892 V925 H926 S927 S967 N972 I973 L974	T826-T970 HydrophobicContact CG2-CG2 4.41Å; A892-T970 HydrophobicContact CB-CG2 4.35Å; V925-T970 HydrophobicContact CG1-CG2 3.85Å; V925-T970 PolarHBondContact O-OG1 3.42Å; H926-T970 WeakPolarHBondContact CA-OG1 3.3Å; S927-T970 PolarHBondContact N-OG1 3.29Å; S927-T970 WeakPolarHBondContact OG-CA 3.47Å; S927-T970 WeakPolarHBondContact OG-CB 3.44Å; S927-T970 PolarHBondContact OG-OG1 2.87Å; S967-T970 PolarHBondContact O-N 3.01Å; S967-T970 PolarHBondContact OG-OG1 2.92Å; T970-N972 VanDerWaalsContact C-N 3.3Å; T970-N972 PolarHBondContact O-N 3.46Å; T970-I973 PolarHBondContact O-N 3.32Å; T970-I973 VanDerWaalsContact O-N 3.17Å; T970-L974 HydrophobicContact CG2-CD1 4.34Å; T970-L974 WeakPolarHBondContact O-CG 3.45Å; T970-L974 PolarHBondContact O-N 2.7Å
971	I	91.9	Very high	87.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-31.1	179.9	-62.7	-63.4	0	0	0	112.2	A966 S967 S969 I973 L974 R975 F983 Y1000	A966-I971 HydrophobicContact CB-CD1 3.89Å; A966-I971 HydrophobicContact CB-CG1 4.04Å; S967-I971 PolarHBondContact O-N 3.05Å; S969-I971 VanDerWaalsContact C-N 3.3Å; S969-I971 PolarHBondContact O-N 3.24Å; I971-I973 VanDerWaalsContact C-N 3.34Å; I971-L974 HydrophobicContact CD1-CD1 4.37Å; I971-R975 VanDerWaalsContact CG2-NH2 3.32Å; I971-R975 WeakPolarHBondContact O-CB 3.47Å; I971-R975 VanDerWaalsContact O-CG 3.24Å; I971-R975 WeakPolarHBondContact O-CG 3.24Å; I971-R975 PolarHBondContact O-N 3.48Å; I971-F983 HydrophobicContact CD1-CB 4.03Å; I971-F983 HydrophobicContact CD1-CD1 4.24Å; I971-F983 HydrophobicContact CD1-CG 4.1Å; I971-F983 HydrophobicContact CG2-CD1 4.42Å; I971-F983 HydrophobicContact CG2-CD2 4.21Å; I971-F983 HydrophobicContact CG2-CE1 4.41Å; I971-F983 HydrophobicContact CG2-CE2 4.22Å; I971-F983 HydrophobicContact CG2-CG 4.35Å; I971-F983 HydrophobicContact CG2-CZ 4.33Å; I971-Y1000 HydrophobicContact CB-CD2 4.24Å; I971-Y1000 HydrophobicContact CB-CE2 4.43Å; I971-Y1000 HydrophobicContact CD1-CG 4.4Å; I971-Y1000 HydrophobicContact CG1-CD1 4.44Å; I971-Y1000 HydrophobicContact CG1-CD2 3.73Å; I971-Y1000 HydrophobicContact CG1-CE2 4.41Å; I971-Y1000 HydrophobicContact CG1-CG 3.77Å; I971-Y1000 HydrophobicContact CG2-CD1 4.37Å; I971-Y1000 HydrophobicContact CG2-CD2 4.41Å; I971-Y1000 HydrophobicContact CG2-CE1 4.28Å; I971-Y1000 HydrophobicContact CG2-CE2 4.37Å; I971-Y1000 HydrophobicContact CG2-CG 4.43Å
972	N	91	Very high	87.9	Confident	68 Å²	68	47.6 Å²	47.6	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-68.6	-32.6	174.3	-73.6	-14.5	0	0	0	112.5	Q968 S969 T970 R976	Q968-N972 PolarHBondContact NE2-OD1 3.13Å; Q968-N972 PolarHBondContact O-N 3.07Å; Q968-N972 PolarHBondContact O-ND2 2.93Å; Q968-N972 PolarHBondContact O-OD1 3.26Å; S969-N972 WeakPolarHBondContact O-CB 3.44Å; S969-N972 PolarHBondContact O-N 3.13Å; T970-N972 VanDerWaalsContact C-N 3.3Å; T970-N972 PolarHBondContact O-N 3.46Å; N972-R976 WeakPolarHBondContact O-CG 3.22Å
973	I	89.6	Confident	88	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-75.2	-48.3	176.2	-60.6	176.8	0	0	0	110	D889 A892 S969 T970 I971 R975 R976	D889-I973 HydrophobicContact CB-CG2 3.7Å; A892-I973 HydrophobicContact CB-CB 4.09Å; A892-I973 HydrophobicContact CB-CG2 3.7Å; S969-I973 PolarHBondContact O-N 3.38Å; S969-I973 VanDerWaalsContact O-N 3.16Å; T970-I973 PolarHBondContact O-N 3.32Å; T970-I973 VanDerWaalsContact O-N 3.17Å; I971-I973 VanDerWaalsContact C-N 3.34Å; I973-R975 PolarHBondContact O-N 2.92Å; I973-R975 VanDerWaalsContact O-N 3.15Å; I973-R976 WeakPolarHBondContact O-CB 3.45Å; I973-R976 PolarHBondContact O-N 3.03Å
974	L	88.6	Confident	88	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-55.3	-37	177.6	-68.3	178.8	0	0	0	112.8	A892 V893 A896 T970 I971 R976 T977 F981 L1002	A892-L974 HydrophobicContact CB-CD2 3.72Å; A892-L974 HydrophobicContact CB-CG 4.1Å; V893-L974 HydrophobicContact CG2-CD2 4Å; A896-L974 HydrophobicContact CB-CD1 4.19Å; A896-L974 HydrophobicContact CB-CD2 4.13Å; T970-L974 HydrophobicContact CG2-CD1 4.34Å; T970-L974 WeakPolarHBondContact O-CG 3.45Å; T970-L974 PolarHBondContact O-N 2.7Å; I971-L974 HydrophobicContact CD1-CD1 4.37Å; L974-R976 VanDerWaalsContact C-N 3.25Å; L974-R976 PolarHBondContact O-N 3.34Å; L974-T977 PolarHBondContact O-N 3.42Å; L974-T977 PolarHBondContact O-OG1 3.22Å; L974-F981 HydrophobicContact CB-CD2 4.33Å; L974-F981 HydrophobicContact CD1-CD2 4.46Å; L974-F981 HydrophobicContact CD1-CG 4.34Å; L974-F981 HydrophobicContact CD2-CD2 3.79Å; L974-F981 HydrophobicContact CD2-CE2 3.72Å; L974-F981 HydrophobicContact CD2-CG 4.43Å; L974-F981 HydrophobicContact CD2-CZ 4.31Å; L974-F981 HydrophobicContact CG-CD2 4.42Å; L974-L1002 HydrophobicContact CD1-CD1 4.29Å
975	R	87.2	Confident	87.7	Confident	119 Å²	119	59 Å²	59	45%	0.449	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.4	175	-73.9	175.6	-168.4	165.6	8	115.5	I971 I973 F983 Y1000	I971-R975 VanDerWaalsContact CG2-NH2 3.32Å; I971-R975 WeakPolarHBondContact O-CB 3.47Å; I971-R975 VanDerWaalsContact O-CG 3.24Å; I971-R975 WeakPolarHBondContact O-CG 3.24Å; I971-R975 PolarHBondContact O-N 3.48Å; I973-R975 PolarHBondContact O-N 2.92Å; I973-R975 VanDerWaalsContact O-N 3.15Å; R975-F983 HydrophobicContact CG-CE1 4.16Å; R975-F983 HydrophobicContact CG-CZ 3.97Å; R975-F983 VanDerWaalsContact NH2-CE2 3.28Å; R975-Y1000 PolarHBondContact NH2-OH 2.86Å
976	R	84.3	Confident	87.2	Confident	157 Å²	157	63 Å²	63	59%	0.592	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-16.7	175.1	-64.1	167.8	-174.8	165.7	0.2	112.7	E824 D889 N972 I973 L974	E824-R976 IonicContact OE2-NH1 3.04Å; D889-R976 VanDerWaalsContact OD2-CD 3.31Å; D889-R976 WeakPolarHBondContact OD2-CD 3.42Å; D889-R976 IonicContact OD2-NH1 3.97Å; N972-R976 WeakPolarHBondContact O-CG 3.22Å; I973-R976 WeakPolarHBondContact O-CB 3.45Å; I973-R976 PolarHBondContact O-N 3.03Å; L974-R976 VanDerWaalsContact C-N 3.25Å; L974-R976 PolarHBondContact O-N 3.34Å
977	T	82.5	Confident	86.8	Confident	31 Å²	31	64 Å²	64	19%	0.19	31%	0.305	C	S	.	.	S	Bend	trans	-92.1	156.8	-175.9	69.1	0	0	0	0	112	D889 V893 L974 C979	D889-T977 HydrophobicContact CB-CG2 3.87Å; V893-T977 HydrophobicContact CG2-CG2 3.72Å; L974-T977 PolarHBondContact O-N 3.42Å; L974-T977 PolarHBondContact O-OG1 3.22Å; T977-C979 PolarHBondContact O-N 2.66Å; T977-C979 VanDerWaalsContact O-N 3.09Å
978	D	76.6	Confident	86.4	Confident	169 Å²	169	69.8 Å²	69.8	90%	0.904	33%	0.332	S	S	*	.	S	Bend	trans	-67.6	-7.2	-179.7	-55.9	-62.4	0	0	0	114
979	C	75.8	Confident	86.1	Confident	47 Å²	47	68.3 Å²	68.3	32%	0.318	33%	0.326	S	S	.	.	S	Bend	trans	-84.1	116.7	-179.3	-64.7	0	0	0	0	111.7	T977 F981	T977-C979 PolarHBondContact O-N 2.66Å; T977-C979 VanDerWaalsContact O-N 3.09Å; C979-F981 VanDerWaalsContact C-N 3.32Å; C979-F981 HydrophobicContact CB-CD2 3.71Å; C979-F981 HydrophobicContact CB-CE2 3.4Å; C979-F981 VanDerWaalsContact CB-CE2 3.4Å; C979-F981 HydrophobicContact CB-CZ 4.35Å; C979-F981 WeakPolarHBondContact O-CD2 3.49Å; C979-F981 PolarHBondContact O-N 2.77Å
980	Q	82.6	Confident	85.8	Confident	137 Å²	137	74.3 Å²	74.3	64%	0.64	34%	0.344	S	S	*	.			trans	-76.5	80.7	176.2	-65.9	-173.3	4.7	0	0	111.4	V1005 T1006	Q980-V1005 WeakPolarHBondContact O-CA 3.21Å; Q980-T1006 PolarHBondContact O-N 3.03Å; Q980-T1006 PolarHBondContact O-OG1 2.9Å
981	F	86	Confident	85.4	Confident	14 Å²	14	74.2 Å²	74.2	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.2	171.2	-76.1	-81.7	0	0	0	111.9	V893 A896 H897 L900 L974 C979 F983 L1002 V1005	V893-F981 HydrophobicContact CB-CE2 4.33Å; V893-F981 HydrophobicContact CG1-CE2 3.97Å; V893-F981 HydrophobicContact CG1-CZ 4.02Å; V893-F981 HydrophobicContact CG2-CE2 4.14Å; A896-F981 HydrophobicContact CB-CD1 4.14Å; A896-F981 HydrophobicContact CB-CE1 3.48Å; A896-F981 VanDerWaalsContact CB-CE1 3.48Å; A896-F981 HydrophobicContact CB-CZ 3.7Å; H897-F981 AromaticContact CE1-CZ 3.64Å; H897-F981 AromaticContact ND1-CZ 3.94Å; H897-F981 AromaticContact NE2-CZ 3.78Å; L900-F981 HydrophobicContact CD1-CE1 4.47Å; L974-F981 HydrophobicContact CB-CD2 4.33Å; L974-F981 HydrophobicContact CD1-CD2 4.46Å; L974-F981 HydrophobicContact CD1-CG 4.34Å; L974-F981 HydrophobicContact CD2-CD2 3.79Å; L974-F981 HydrophobicContact CD2-CE2 3.72Å; L974-F981 HydrophobicContact CD2-CG 4.43Å; L974-F981 HydrophobicContact CD2-CZ 4.31Å; L974-F981 HydrophobicContact CG-CD2 4.42Å; C979-F981 VanDerWaalsContact C-N 3.32Å; C979-F981 HydrophobicContact CB-CD2 3.71Å; C979-F981 HydrophobicContact CB-CE2 3.4Å; C979-F981 VanDerWaalsContact CB-CE2 3.4Å; C979-F981 HydrophobicContact CB-CZ 4.35Å; C979-F981 WeakPolarHBondContact O-CD2 3.49Å; C979-F981 PolarHBondContact O-N 2.77Å; F981-F983 WeakPolarHBondContact O-CD1 3.48Å; F981-F983 WeakPolarHBondContact O-CE1 3.35Å; F981-L1002 HydrophobicContact CB-CD1 4.08Å; F981-L1002 HydrophobicContact CD1-CD1 3.96Å; F981-L1002 HydrophobicContact CD1-CD2 4.48Å; F981-L1002 HydrophobicContact CG-CD1 4.38Å; F981-V1005 HydrophobicContact CD1-CG2 3.6Å; F981-V1005 HydrophobicContact CE1-CG2 3.54Å; F981-V1005 HydrophobicContact CG-CG2 4.47Å; F981-V1005 HydrophobicContact CZ-CG2 4.37Å
982	E	87.3	Confident	84.6	Confident	84 Å²	84	82.3 Å²	82.3	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.7	178.8	-64.1	178	-171.3	0	0	110.1	T1003 G1004 T1006	E982-T1003 PolarHBondContact O-N 3.04Å; E982-T1003 PolarHBondContact O-OG1 2.87Å; E982-G1004 PolarHBondContact N-O 3.18Å; E982-T1006 WeakPolarHBondContact CG-OG1 3.36Å; E982-T1006 VanDerWaalsContact OE1-CA 3.23Å; E982-T1006 WeakPolarHBondContact OE1-CA 3.28Å; E982-T1006 WeakPolarHBondContact OE1-CB 3.22Å; E982-T1006 PolarHBondContact OE1-N 3.06Å; E982-T1006 PolarHBondContact OE1-OG1 3.41Å
983	F	87.6	Confident	83.8	Confident	69 Å²	69	82.7 Å²	82.7	30%	0.303	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136	-177.1	49.7	-97.5	0	0	0	113.4	I971 R975 F981 Y1000 W1001	I971-F983 HydrophobicContact CD1-CB 4.03Å; I971-F983 HydrophobicContact CD1-CD1 4.24Å; I971-F983 HydrophobicContact CD1-CG 4.1Å; I971-F983 HydrophobicContact CG2-CD1 4.42Å; I971-F983 HydrophobicContact CG2-CD2 4.21Å; I971-F983 HydrophobicContact CG2-CE1 4.41Å; I971-F983 HydrophobicContact CG2-CE2 4.22Å; I971-F983 HydrophobicContact CG2-CG 4.35Å; I971-F983 HydrophobicContact CG2-CZ 4.33Å; R975-F983 HydrophobicContact CG-CE1 4.16Å; R975-F983 HydrophobicContact CG-CZ 3.97Å; R975-F983 VanDerWaalsContact NH2-CE2 3.28Å; F981-F983 WeakPolarHBondContact O-CD1 3.48Å; F981-F983 WeakPolarHBondContact O-CE1 3.35Å; F983-Y1000 AromaticContact CD2-CD1 3.88Å; F983-Y1000 HydrophobicContact CD2-CD1 3.88Å; F983-Y1000 HydrophobicContact CD2-CE1 4.16Å; F983-W1001 CarbonylContact C-O 3.58Å; F983-W1001 WeakPolarHBondContact CA-O 3.38Å; F983-W1001 WeakPolarHBondContact CB-O 3.41Å
984	E	88.8	Confident	83.2	Confident	93 Å²	93	87.2 Å²	87.2	44%	0.435	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.9	173.9	-64.9	175.9	162.6	0	0	110.6	R963 Y1000 W1001 T1003	R963-E984 IonicContact NH2-OE2 3.25Å; R963-E984 PolarHBondContact NH2-OE2 2.77Å; E984-Y1000 CarbonylContact O-C 3.59Å; E984-Y1000 WeakPolarHBondContact O-CA 3.3Å; E984-Y1000 WeakPolarHBondContact O-CB 3.44Å; E984-W1001 HydrophobicContact CB-CB 4.33Å; E984-W1001 PolarHBondContact N-O 2.92Å; E984-W1001 PolarHBondContact O-N 2.89Å; E984-T1003 HydrophobicContact CG-CG2 3.87Å
985	K	87.5	Confident	82.9	Confident	157 Å²	157	88.3 Å²	88.3	68%	0.683	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.6	171.1	-75.2	176.5	178	177.6	0	109.8	Y1000	K985-Y1000 HydrophobicContact CG-CD1 3.96Å; K985-Y1000 HydrophobicContact CG-CE1 3.55Å
986	R	82.7	Confident	82.8	Confident	85 Å²	85	89.3 Å²	89.3	32%	0.321	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-41.8	173.1	-175.5	-173.7	178.3	169.8	2.6	112	T958 H965 T999 W1001	T958-R986 VanDerWaalsContact O-CZ 3.24Å; T958-R986 PolarHBondContact O-NH1 3.47Å; T958-R986 PolarHBondContact O-NH2 2.83Å; H965-R986 PolarHBondContact CD2-NH1 3.03Å; H965-R986 PolarHBondContact CE1-NH1 3.11Å; H965-R986 PolarHBondContact NE2-NH1 3.35Å; R986-T999 WeakPolarHBondContact CB-O 3.45Å; R986-T999 WeakPolarHBondContact CD-OG1 3.42Å; R986-T999 PolarHBondContact N-O 3.09Å; R986-W1001 VanDerWaalsContact CD-CZ2 3.43Å; R986-W1001 HydrophobicContact CG-CZ2 3.85Å
987	G	84.3	Confident	82.8	Confident	23 Å²	23	84.1 Å²	84.1	24%	0.237	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-164.6	-172.3	0	0	0	0	0	112.4	T989 M998 T999	G987-T989 PolarHBondContact O-N 3.1Å; G987-M998 VanDerWaalsContact C-SD 3.54Å; G987-T999 PolarHBondContact O-N 3.48Å
988	E	85.4	Confident	83	Confident	122 Å²	122	86 Å²	86	57%	0.57	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	112.5	175.3	-65.4	-174.4	142.8	0	0	111.1	K996 E997 M998	E988-K996 HydrophobicContact CB-CB 4.33Å; E988-K996 HydrophobicContact CB-CD 4.05Å; E988-K996 HydrophobicContact CG-CD 4.42Å; E988-K996 WeakPolarHBondContact OE2-CD 2.97Å; E988-K996 WeakPolarHBondContact OE2-CE 3.17Å; E988-K996 IonicContact OE2-NZ 2.68Å; E988-K996 PolarHBondContact OE2-NZ 2.64Å; E988-E997 WeakPolarHBondContact CA-O 3.33Å; E988-M998 HydrophobicContact CG-SD 3.81Å
989	T	84.9	Confident	83.7	Confident	14 Å²	14	78 Å²	78	9%	0.086	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134	171.5	-57.4	0	0	0	0	109.6	T958 G987 L991 K996 E997 T999	T958-T989 HydrophobicContact CG2-CG2 4.42Å; G987-T989 PolarHBondContact O-N 3.1Å; T989-L991 HydrophobicContact CG2-CD2 4.12Å; T989-K996 WeakPolarHBondContact O-CA 3.42Å; T989-E997 PolarHBondContact N-O 3.21Å; T989-E997 PolarHBondContact O-N 3.31Å; T989-T999 PolarHBondContact OG1-OG1 3.11Å
990	Y	85.4	Confident	84.5	Confident	162 Å²	162	76.1 Å²	76.1	64%	0.635	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.2	175	-179.7	-103.2	0	0	0	111.3	G995 K996	Y990-G995 WeakPolarHBondContact CA-O 3.42Å; Y990-G995 WeakPolarHBondContact CD2-O 3.27Å; Y990-K996 HydrophobicContact CD2-CG 4.36Å
991	L	83.4	Confident	84.9	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.2	-177.7	-58.8	178.3	0	0	0	109.4	R954 M955 T958 T989 G993 K994 G995 E997	R954-L991 HydrophobicContact CB-CD2 4.24Å; M955-L991 HydrophobicContact CE-CD1 3.45Å; M955-L991 VanDerWaalsContact CE-CD1 3.45Å; M955-L991 HydrophobicContact CE-CD2 3.48Å; M955-L991 VanDerWaalsContact CE-CD2 3.48Å; M955-L991 HydrophobicContact CE-CG 4.09Å; T958-L991 HydrophobicContact CG2-CD2 4.33Å; T989-L991 HydrophobicContact CG2-CD2 4.12Å; L991-G993 PolarHBondContact O-N 2.64Å; L991-K994 HydrophobicContact CB-CB 3.85Å; L991-K994 PolarHBondContact O-N 2.88Å; L991-G995 PolarHBondContact N-O 3.25Å; L991-G995 PolarHBondContact O-N 2.88Å; L991-E997 HydrophobicContact CD1-CB 3.87Å
992	K	75.1	Confident	85.1	Confident	170 Å²	170	70.4 Å²	70.4	74%	0.739	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	111	-177.3	-176.3	-180	179.4	-179	0	111.1	R954	R954-K992 VanDerWaalsContact CZ-O 3.28Å; R954-K992 PolarHBondContact NE-O 2.77Å
993	G	74.9	Confident	85	Confident	75 Å²	75	68 Å²	68	77%	0.773	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-2.7	-178.9	0	0	0	0	0	115.7	L991	L991-G993 PolarHBondContact O-N 2.64Å
994	K	76.2	Confident	84.9	Confident	98 Å²	98	64.9 Å²	64.9	43%	0.426	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-24.4	174	-79.1	-78.5	-175.2	173.6	0	113.3	D947 L991	D947-K994 WeakPolarHBondContact OD2-CE 3.38Å; D947-K994 IonicContact OD2-NZ 2.64Å; D947-K994 PolarHBondContact OD2-NZ 3.12Å; L991-K994 HydrophobicContact CB-CB 3.85Å; L991-K994 PolarHBondContact O-N 2.88Å
995	G	82.8	Confident	84.8	Confident	27 Å²	27	61.2 Å²	61.2	28%	0.278	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96	-145.4	-174.2	0	0	0	0	0	110.9	Y990 L991	Y990-G995 WeakPolarHBondContact CA-O 3.42Å; Y990-G995 WeakPolarHBondContact CD2-O 3.27Å; L991-G995 PolarHBondContact N-O 3.25Å; L991-G995 PolarHBondContact O-N 2.88Å
996	K	84.4	Confident	84.4	Confident	140 Å²	140	57.1 Å²	57.1	61%	0.609	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.8	171.5	-68	-170.8	177.6	-176.7	0	110.1	E988 T989 Y990	E988-K996 HydrophobicContact CB-CB 4.33Å; E988-K996 HydrophobicContact CB-CD 4.05Å; E988-K996 HydrophobicContact CG-CD 4.42Å; E988-K996 WeakPolarHBondContact OE2-CD 2.97Å; E988-K996 WeakPolarHBondContact OE2-CE 3.17Å; E988-K996 IonicContact OE2-NZ 2.68Å; E988-K996 PolarHBondContact OE2-NZ 2.64Å; T989-K996 WeakPolarHBondContact O-CA 3.42Å; Y990-K996 HydrophobicContact CD2-CG 4.36Å
997	E	84.4	Confident	83.6	Confident	49 Å²	49	57.1 Å²	57.1	23%	0.229	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.2	175.5	-162.5	178.7	145.1	0	0	110.4	E988 T989 L991 T999	E988-E997 WeakPolarHBondContact CA-O 3.33Å; T989-E997 PolarHBondContact N-O 3.21Å; T989-E997 PolarHBondContact O-N 3.31Å; L991-E997 HydrophobicContact CD1-CB 3.87Å; E997-T999 PolarHBondContact O-N 2.85Å
998	M	87.4	Confident	83.1	Confident	70 Å²	70	63.1 Å²	63.1	35%	0.345	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.2	175.4	-78.3	-62.9	-53.3	0	0	110.5	Q968 G987 E988	Q968-M998 WeakPolarHBondContact CB-O 3.26Å; G987-M998 VanDerWaalsContact C-SD 3.54Å; E988-M998 HydrophobicContact CG-SD 3.81Å
999	T	91.3	Very high	82.3	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	167.8	-179.9	65.5	0	0	0	0	112.9	M955 H965 R986 G987 T989 E997	M955-T999 HydrophobicContact CE-CG2 4Å; M955-T999 HydrophobicContact SD-CG2 3.98Å; H965-T999 WeakPolarHBondContact NE2-CB 3.42Å; H965-T999 PolarHBondContact NE2-OG1 2.86Å; R986-T999 WeakPolarHBondContact CB-O 3.45Å; R986-T999 WeakPolarHBondContact CD-OG1 3.42Å; R986-T999 PolarHBondContact N-O 3.09Å; G987-T999 PolarHBondContact O-N 3.48Å; T989-T999 PolarHBondContact OG1-OG1 3.11Å; E997-T999 PolarHBondContact O-N 2.85Å
1000	Y	92.6	Very high	81.6	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.035	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.1	-169.2	-62.6	-103.2	0	0	0	111.2	A966 Q968 I971 R975 F983 E984 K985	A966-Y1000 PolarHBondContact N-O 3.22Å; A966-Y1000 PolarHBondContact O-N 2.9Å; Q968-Y1000 HydrophobicContact CB-CE2 4.42Å; Q968-Y1000 PolarHBondContact NE2-OH 3.32Å; Q968-Y1000 VanDerWaalsContact OE1-CE2 3.26Å; Q968-Y1000 PolarHBondContact OE1-OH 3.2Å; I971-Y1000 HydrophobicContact CB-CD2 4.24Å; I971-Y1000 HydrophobicContact CB-CE2 4.43Å; I971-Y1000 HydrophobicContact CD1-CG 4.4Å; I971-Y1000 HydrophobicContact CG1-CD1 4.44Å; I971-Y1000 HydrophobicContact CG1-CD2 3.73Å; I971-Y1000 HydrophobicContact CG1-CE2 4.41Å; I971-Y1000 HydrophobicContact CG1-CG 3.77Å; I971-Y1000 HydrophobicContact CG2-CD1 4.37Å; I971-Y1000 HydrophobicContact CG2-CD2 4.41Å; I971-Y1000 HydrophobicContact CG2-CE1 4.28Å; I971-Y1000 HydrophobicContact CG2-CE2 4.37Å; I971-Y1000 HydrophobicContact CG2-CG 4.43Å; R975-Y1000 PolarHBondContact NH2-OH 2.86Å; F983-Y1000 AromaticContact CD2-CD1 3.88Å; F983-Y1000 HydrophobicContact CD2-CD1 3.88Å; F983-Y1000 HydrophobicContact CD2-CE1 4.16Å; E984-Y1000 CarbonylContact O-C 3.59Å; E984-Y1000 WeakPolarHBondContact O-CA 3.3Å; E984-Y1000 WeakPolarHBondContact O-CB 3.44Å; K985-Y1000 HydrophobicContact CG-CD1 3.96Å; K985-Y1000 HydrophobicContact CG-CE1 3.55Å
1001	W	91.4	Very high	81	Confident	22 Å²	22	63.9 Å²	63.9	8%	0.083	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	163.6	-55.4	119.6	0	0	0	108.7	L960 R963 I964 H965 F983 E984 R986	L960-W1001 HydrophobicContact CB-CH2 3.88Å; L960-W1001 HydrophobicContact CB-CZ2 4.42Å; L960-W1001 HydrophobicContact CB-CZ3 4.42Å; L960-W1001 HydrophobicContact CD1-CH2 3.95Å; L960-W1001 HydrophobicContact CD1-CZ2 3.65Å; L960-W1001 HydrophobicContact CG-CH2 3.69Å; L960-W1001 HydrophobicContact CG-CZ2 3.92Å; R963-W1001 HydrophobicContact CB-CD2 4.34Å; R963-W1001 HydrophobicContact CB-CE3 3.62Å; R963-W1001 HydrophobicContact CB-CH2 4.45Å; R963-W1001 HydrophobicContact CB-CZ3 3.67Å; R963-W1001 HydrophobicContact CG-CE3 4.29Å; R963-W1001 HydrophobicContact CG-CZ3 4.48Å; I964-W1001 WeakPolarHBondContact O-CA 3.46Å; H965-W1001 HydrophobicContact CB-CE3 4.13Å; H965-W1001 HydrophobicContact CB-CZ3 3.63Å; H965-W1001 AromaticContact CD2-CZ3 3.79Å; H965-W1001 AromaticContact CG-CZ3 3.86Å; F983-W1001 CarbonylContact C-O 3.58Å; F983-W1001 WeakPolarHBondContact CA-O 3.38Å; F983-W1001 WeakPolarHBondContact CB-O 3.41Å; E984-W1001 HydrophobicContact CB-CB 4.33Å; E984-W1001 PolarHBondContact N-O 2.92Å; E984-W1001 PolarHBondContact O-N 2.89Å; R986-W1001 VanDerWaalsContact CD-CZ2 3.43Å; R986-W1001 HydrophobicContact CG-CZ2 3.85Å
1002	L	90	Very high	80.7	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.4	166.5	-171.4	75.5	0	0	0	108.5	A896 L900 I964 L974 F981	A896-L1002 HydrophobicContact CB-CD2 3.87Å; L900-L1002 HydrophobicContact CD1-CD2 4.2Å; L900-L1002 HydrophobicContact CG-CD2 4.2Å; I964-L1002 HydrophobicContact CB-CB 3.99Å; I964-L1002 HydrophobicContact CD1-CD2 4.23Å; I964-L1002 HydrophobicContact CG2-CB 3.81Å; I964-L1002 HydrophobicContact CG2-CD2 4.21Å; I964-L1002 PolarHBondContact O-N 3.15Å; L974-L1002 HydrophobicContact CD1-CD1 4.29Å; F981-L1002 HydrophobicContact CB-CD1 4.08Å; F981-L1002 HydrophobicContact CD1-CD1 3.96Å; F981-L1002 HydrophobicContact CD1-CD2 4.48Å; F981-L1002 HydrophobicContact CG-CD1 4.38Å
1003	T	85	Confident	80.7	Confident	33 Å²	33	59.7 Å²	59.7	20%	0.202	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-18.5	-172.3	54	0	0	0	0	114.7	E982 E984 L1012	E982-T1003 PolarHBondContact O-N 3.04Å; E982-T1003 PolarHBondContact O-OG1 2.87Å; E984-T1003 HydrophobicContact CG-CG2 3.87Å; T1003-L1012 VanDerWaalsContact O-CD1 3.29Å; T1003-L1012 WeakPolarHBondContact O-CD1 3.4Å
1004	G	85.6	Confident	80.4	Confident	5 Å²	5	62.4 Å²	62.4	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-163.5	178.2	0	0	0	0	0	114.3	E982	E982-G1004 PolarHBondContact N-O 3.18Å
1005	V	86.4	Confident	80.1	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.4	173.8	-175.7	0	0	0	0	108.2	L900 Q980 F981 G1007 R1008 Y1010	L900-V1005 HydrophobicContact CD1-CG2 3.88Å; Q980-V1005 WeakPolarHBondContact O-CA 3.21Å; F981-V1005 HydrophobicContact CD1-CG2 3.6Å; F981-V1005 HydrophobicContact CE1-CG2 3.54Å; F981-V1005 HydrophobicContact CG-CG2 4.47Å; F981-V1005 HydrophobicContact CZ-CG2 4.37Å; V1005-G1007 PolarHBondContact O-N 2.91Å; V1005-G1007 VanDerWaalsContact O-N 3.16Å; V1005-R1008 HydrophobicContact CB-CB 4.44Å; V1005-R1008 PolarHBondContact O-N 3.25Å; V1005-Y1010 HydrophobicContact CB-CE2 4.26Å; V1005-Y1010 HydrophobicContact CG2-CE2 4.1Å
1006	T	78.4	Confident	79.2	Confident	72 Å²	72	60.1 Å²	60.1	44%	0.442	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	120.5	-178.1	-56.5	0	0	0	0	110.4	Q980 E982	Q980-T1006 PolarHBondContact O-N 3.03Å; Q980-T1006 PolarHBondContact O-OG1 2.9Å; E982-T1006 WeakPolarHBondContact CG-OG1 3.36Å; E982-T1006 VanDerWaalsContact OE1-CA 3.23Å; E982-T1006 WeakPolarHBondContact OE1-CA 3.28Å; E982-T1006 WeakPolarHBondContact OE1-CB 3.22Å; E982-T1006 PolarHBondContact OE1-N 3.06Å; E982-T1006 PolarHBondContact OE1-OG1 3.41Å
1007	G	66.9	Low	78.2	Confident	84 Å²	84	57.7 Å²	57.7	87%	0.866	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	0.5	-175.9	0	0	0	0	0	115.9	V1005	V1005-G1007 PolarHBondContact O-N 2.91Å; V1005-G1007 VanDerWaalsContact O-N 3.16Å
1008	R	73.7	Confident	76.9	Confident	149 Å²	149	58.9 Å²	58.9	56%	0.562	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-122.6	122	170.1	-72.2	-175.9	174.1	-176.7	-0.8	111.6	V1005 Y1010	V1005-R1008 HydrophobicContact CB-CB 4.44Å; V1005-R1008 PolarHBondContact O-N 3.25Å; R1008-Y1010 HydrophobicContact CB-CD2 4.18Å; R1008-Y1010 HydrophobicContact CB-CE2 3.68Å; R1008-Y1010 PolarHBondContact O-N 3.15Å
1009	T	69	Low	75.4	Confident	141 Å²	141	63.7 Å²	63.7	87%	0.865	37%	0.374	S	S	*	.			trans	-84	107.5	173.8	51.2	0	0	0	0	110.7
1010	Y	69.4	Low	73.9	Confident	43 Å²	43	67.3 Å²	67.3	17%	0.169	39%	0.393	C	S	.	.			trans	-93.3	135.1	171.2	-72.3	-89.5	0	0	0	110.3	L900 D901 V1005 R1008 L1012	L900-Y1010 HydrophobicContact CB-CD1 3.87Å; L900-Y1010 HydrophobicContact CB-CE1 3.68Å; L900-Y1010 HydrophobicContact CB-CG 4.39Å; L900-Y1010 HydrophobicContact CD1-CD2 4.46Å; L900-Y1010 HydrophobicContact CD1-CE2 4.07Å; D901-Y1010 WeakPolarHBondContact OD1-CE1 3.48Å; V1005-Y1010 HydrophobicContact CB-CE2 4.26Å; V1005-Y1010 HydrophobicContact CG2-CE2 4.1Å; R1008-Y1010 HydrophobicContact CB-CD2 4.18Å; R1008-Y1010 HydrophobicContact CB-CE2 3.68Å; R1008-Y1010 PolarHBondContact O-N 3.15Å; Y1010-L1012 PolarHBondContact O-N 3.41Å
1011	N	71.9	Confident	72.3	Confident	131 Å²	131	69 Å²	69	70%	0.701	40%	0.401	S	S	*	.			trans	-81.5	59	176.3	-72.9	-19.6	0	0	0	110.5
1012	L	77.9	Confident	70.8	Confident	49 Å²	49	75 Å²	75	26%	0.257	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-72	128.5	-178.2	-56.3	-176.9	0	0	0	110.4	L900 L903 T1003 Y1010	L900-L1012 HydrophobicContact CD2-CD1 3.89Å; L900-L1012 HydrophobicContact CD2-CD2 4.2Å; L903-L1012 HydrophobicContact CB-CD2 4.28Å; L903-L1012 HydrophobicContact CD2-CD2 4.12Å; L903-L1012 HydrophobicContact CG-CD2 4.06Å; T1003-L1012 VanDerWaalsContact O-CD1 3.29Å; T1003-L1012 WeakPolarHBondContact O-CD1 3.4Å; Y1010-L1012 PolarHBondContact O-N 3.41Å
1013	P	74.3	Confident	69.5	Low	34 Å²	34	82.6 Å²	82.6	22%	0.221	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-68.9	141.7	178.5	29.3	-35.5	0	0	0	111.1	L903 L962 P1015	L903-P1013 HydrophobicContact CD1-CG 4.19Å; L962-P1013 HydrophobicContact CB-CG 4.33Å; L962-P1013 HydrophobicContact CD1-CB 4.05Å; L962-P1013 HydrophobicContact CD1-CG 3.96Å; L962-P1013 HydrophobicContact CD2-CG 3.94Å; L962-P1013 HydrophobicContact CG-CG 4.3Å; P1013-P1015 WeakPolarHBondContact O-CD 3.28Å
1014	T	70.2	Confident	68.4	Low	132 Å²	132	83.6 Å²	83.6	81%	0.81	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-68.8	120.5	-179.1	47.9	0	0	0	0	111.3
1015	P	68.5	Low	67.2	Low	42 Å²	42	87.6 Å²	87.6	27%	0.273	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-75.3	147.9	-176.2	30.5	-35.6	0	0	0	112.2	P961 L962 R963 P1013	P961-P1015 WeakPolarHBondContact O-CB 3.4Å; L962-P1015 HydrophobicContact CB-CB 4.2Å; R963-P1015 HydrophobicContact CG-CB 4.08Å; R963-P1015 HydrophobicContact CG-CG 4.07Å; P1013-P1015 WeakPolarHBondContact O-CD 3.28Å
1016	P	65.4	Low	66.2	Low	34 Å²	34	93.2 Å²	93.2	22%	0.221	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-72.2	142.9	-178.2	29.3	-34.9	0	0	0	112.8	P961 F1021 L1024	P961-P1016 HydrophobicContact CB-CG 4.44Å; P1016-F1021 HydrophobicContact CG-CD2 4.18Å; P1016-L1024 HydrophobicContact CB-CD1 3.47Å; P1016-L1024 VanDerWaalsContact CB-CD1 3.47Å; P1016-L1024 HydrophobicContact CG-CD1 4.31Å
1017	T	61.6	Low	65.6	Low	89 Å²	89	93.9 Å²	93.9	55%	0.546	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-62.9	143.9	171.9	-29	0	0	0	0	110.7	E1019 N1020 F1021	T1017-E1019 VanDerWaalsContact C-N 3.3Å; T1017-E1019 PolarHBondContact O-N 3.16Å; T1017-N1020 WeakPolarHBondContact O-CA 3.33Å; T1017-N1020 WeakPolarHBondContact O-CB 3.5Å; T1017-N1020 PolarHBondContact O-N 2.89Å; T1017-N1020 PolarHBondContact OG1-ND2 3.04Å; T1017-F1021 PolarHBondContact O-N 3.04Å
1018	A	57.4	Low	65.6	Low	75 Å²	75	90.4 Å²	90.4	62%	0.62	47%	0.467	S	S	*	.	H	α-helix	trans	-55.8	-38.2	-173.7	0	0	0	0	0	114.4	F1021	A1018-F1021 PolarHBondContact O-N 3.5Å
1019	E	56.9	Low	65.2	Low	170 Å²	170	84.3 Å²	84.3	79%	0.794	45%	0.448	S	S	*	.	H	α-helix	trans	-70.5	-29.8	176.6	-61.5	-178.9	160.2	0	0	112.9	T1017	T1017-E1019 VanDerWaalsContact C-N 3.3Å; T1017-E1019 PolarHBondContact O-N 3.16Å
1020	N	58.8	Low	65.1	Low	76 Å²	76	83 Å²	83	41%	0.406	44%	0.436	S	S	.	.	H	α-helix	trans	-78.9	-27.4	175.7	-69	-33.6	0	0	0	111.9	T1017 Q1022 R1023 L1024	T1017-N1020 WeakPolarHBondContact O-CA 3.33Å; T1017-N1020 WeakPolarHBondContact O-CB 3.5Å; T1017-N1020 PolarHBondContact O-N 2.89Å; T1017-N1020 PolarHBondContact OG1-ND2 3.04Å; N1020-Q1022 PolarHBondContact O-N 3.14Å; N1020-R1023 PolarHBondContact O-N 3.47Å; N1020-L1024 HydrophobicContact CB-CD1 4.31Å; N1020-L1024 WeakPolarHBondContact O-CB 3.46Å; N1020-L1024 WeakPolarHBondContact O-CG 3.49Å; N1020-L1024 PolarHBondContact O-N 3.11Å
1021	F	59.5	Low	65	Low	45 Å²	45	84.4 Å²	84.4	20%	0.197	45%	0.445	C	S	.	.	H	α-helix	trans	-61.3	-39.6	-175	-179.8	-112.8	0	0	0	113.5	V833 P961 P1016 T1017 A1018 R1023 L1024 Q1025	V833-F1021 HydrophobicContact CG1-CE2 3.92Å; V833-F1021 HydrophobicContact CG1-CZ 3.73Å; P961-F1021 HydrophobicContact CB-CE2 4.49Å; P961-F1021 HydrophobicContact CG-CD2 3.84Å; P961-F1021 HydrophobicContact CG-CE2 3.45Å; P961-F1021 VanDerWaalsContact CG-CE2 3.45Å; P961-F1021 HydrophobicContact CG-CZ 3.91Å; P1016-F1021 HydrophobicContact CG-CD2 4.18Å; T1017-F1021 PolarHBondContact O-N 3.04Å; A1018-F1021 PolarHBondContact O-N 3.5Å; F1021-R1023 VanDerWaalsContact C-N 3.35Å; F1021-R1023 PolarHBondContact O-N 3.04Å; F1021-L1024 PolarHBondContact O-N 3.26Å; F1021-Q1025 HydrophobicContact CE1-CG 4.18Å; F1021-Q1025 HydrophobicContact CE2-CG 3.99Å; F1021-Q1025 HydrophobicContact CZ-CG 3.78Å; F1021-Q1025 PolarHBondContact O-N 3.42Å
1022	Q	60.6	Low	64.8	Low	147 Å²	147	78.2 Å²	78.2	69%	0.687	41%	0.412	S	S	*	.	H	α-helix	trans	-66.4	-35.1	177.2	-73.7	-173.9	-26.4	0	0	112.8	N1020	N1020-Q1022 PolarHBondContact O-N 3.14Å
1023	R	62.1	Low	64.2	Low	169 Å²	169	78 Å²	78	64%	0.638	41%	0.412	S	S	*	.	H	α-helix	trans	-68.2	-47.4	171.9	-72.1	-178.9	172.6	164.9	-1.7	111.1	N1020 F1021 Q1025 Q1026 D1027	N1020-R1023 PolarHBondContact O-N 3.47Å; F1021-R1023 VanDerWaalsContact C-N 3.35Å; F1021-R1023 PolarHBondContact O-N 3.04Å; R1023-Q1025 PolarHBondContact O-N 3.34Å; R1023-Q1025 VanDerWaalsContact O-N 3.15Å; R1023-Q1026 CarbonylContact O-C 3.54Å; R1023-Q1026 WeakPolarHBondContact O-CA 3.47Å; R1023-Q1026 WeakPolarHBondContact O-CB 3.35Å; R1023-Q1026 PolarHBondContact O-N 3.2Å; R1023-D1027 VanDerWaalsContact O-CG 3.27Å; R1023-D1027 PolarHBondContact O-N 3.07Å
1024	L	60.9	Low	63.8	Low	54 Å²	54	78.3 Å²	78.3	28%	0.283	42%	0.416	S	S	.	.	H	α-helix	trans	-56.8	-31.1	178	-76.7	165.2	0	0	0	113.4	W920 P1016 N1020 F1021 L1028	W920-L1024 HydrophobicContact CH2-CB 3.96Å; W920-L1024 HydrophobicContact CH2-CD2 4.28Å; W920-L1024 HydrophobicContact CZ3-CB 4.42Å; P1016-L1024 HydrophobicContact CB-CD1 3.47Å; P1016-L1024 VanDerWaalsContact CB-CD1 3.47Å; P1016-L1024 HydrophobicContact CG-CD1 4.31Å; N1020-L1024 HydrophobicContact CB-CD1 4.31Å; N1020-L1024 WeakPolarHBondContact O-CB 3.46Å; N1020-L1024 WeakPolarHBondContact O-CG 3.49Å; N1020-L1024 PolarHBondContact O-N 3.11Å; F1021-L1024 PolarHBondContact O-N 3.26Å; L1024-L1028 WeakPolarHBondContact O-CB 3.16Å; L1024-L1028 PolarHBondContact O-N 3.04Å
1025	Q	62.4	Low	63.5	Low	88 Å²	88	73.1 Å²	73.1	41%	0.411	38%	0.384	S	S	.	.	H	α-helix	trans	-71.3	-27.6	172.2	-72.6	-163.8	-76.1	0	0	114	F1021 R1023	F1021-Q1025 HydrophobicContact CE1-CG 4.18Å; F1021-Q1025 HydrophobicContact CE2-CG 3.99Å; F1021-Q1025 HydrophobicContact CZ-CG 3.78Å; F1021-Q1025 PolarHBondContact O-N 3.42Å; R1023-Q1025 PolarHBondContact O-N 3.34Å; R1023-Q1025 VanDerWaalsContact O-N 3.15Å
1026	Q	63.4	Low	63.3	Low	134 Å²	134	74 Å²	74	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-79.9	-47.8	172.3	-59.1	-173.4	-85.8	0	0	110.3	R1023 L1028 A1029 D1030	R1023-Q1026 CarbonylContact O-C 3.54Å; R1023-Q1026 WeakPolarHBondContact O-CA 3.47Å; R1023-Q1026 WeakPolarHBondContact O-CB 3.35Å; R1023-Q1026 PolarHBondContact O-N 3.2Å; Q1026-L1028 PolarHBondContact O-N 3.31Å; Q1026-A1029 WeakPolarHBondContact O-CB 3.44Å; Q1026-A1029 PolarHBondContact O-N 2.79Å; Q1026-D1030 PolarHBondContact O-N 3.04Å
1027	D	66.3	Low	63.1	Low	85 Å²	85	78.2 Å²	78.2	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-56.4	-34.8	176	-57.8	-37.3	0	0	0	111.6	R1023 M1031	R1023-D1027 VanDerWaalsContact O-CG 3.27Å; R1023-D1027 PolarHBondContact O-N 3.07Å; D1027-M1031 WeakPolarHBondContact O-CB 3.36Å; D1027-M1031 PolarHBondContact O-N 2.91Å
1028	L	66.7	Low	63	Low	12 Å²	12	81 Å²	81	6%	0.063	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-40.8	174.6	-175.4	71.3	0	0	0	112.4	I917 W920 L1024 Q1026 M1031 I1032	I917-L1028 HydrophobicContact CG2-CD1 3.56Å; W920-L1028 HydrophobicContact CH2-CD1 4.5Å; W920-L1028 HydrophobicContact CZ3-CD1 4.49Å; W920-L1028 HydrophobicContact CZ3-CD2 4.11Å; L1024-L1028 WeakPolarHBondContact O-CB 3.16Å; L1024-L1028 PolarHBondContact O-N 3.04Å; Q1026-L1028 PolarHBondContact O-N 3.31Å; L1028-M1031 PolarHBondContact O-N 2.94Å; L1028-I1032 HydrophobicContact CG-CD1 4.2Å; L1028-I1032 WeakPolarHBondContact O-CD1 3.37Å; L1028-I1032 WeakPolarHBondContact O-CG1 3.41Å; L1028-I1032 PolarHBondContact O-N 2.8Å
1029	A	65.6	Low	62.9	Low	21 Å²	21	82.2 Å²	82.2	17%	0.174	40%	0.401	C	S	.	.	H	α-helix	trans	-67.5	-45	178.3	0	0	0	0	0	111.2	T837 Q1026 M1031 I1032 V1033	T837-A1029 HydrophobicContact CG2-CB 4.49Å; Q1026-A1029 WeakPolarHBondContact O-CB 3.44Å; Q1026-A1029 PolarHBondContact O-N 2.79Å; A1029-M1031 VanDerWaalsContact C-N 3.3Å; A1029-M1031 PolarHBondContact O-N 3.5Å; A1029-I1032 PolarHBondContact O-N 3.15Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.1Å; A1029-V1033 PolarHBondContact O-N 2.94Å
1030	D	67	Low	62.5	Low	114 Å²	114	83.6 Å²	83.6	61%	0.61	40%	0.398	S	S	*	.	H	α-helix	trans	-65.2	-34.6	175.8	-70.7	-17.1	0	0	0	111.7	Q1026 V1033 S1034	Q1026-D1030 PolarHBondContact O-N 3.04Å; D1030-V1033 PolarHBondContact O-N 2.82Å; D1030-S1034 WeakPolarHBondContact O-CB 3.19Å; D1030-S1034 PolarHBondContact O-N 2.84Å
1031	M	67.6	Low	62	Low	72 Å²	72	83.8 Å²	83.8	36%	0.355	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-47.3	173.5	-170.4	-176.3	-56.7	0	0	111.8	I917 D1027 L1028 A1029 V1033 S1034 S1035	I917-M1031 HydrophobicContact CB-SD 4.47Å; I917-M1031 HydrophobicContact CD1-CG 4.36Å; I917-M1031 HydrophobicContact CG1-CG 4.23Å; I917-M1031 HydrophobicContact CG1-SD 4.12Å; I917-M1031 HydrophobicContact CG2-SD 4.4Å; D1027-M1031 WeakPolarHBondContact O-CB 3.36Å; D1027-M1031 PolarHBondContact O-N 2.91Å; L1028-M1031 PolarHBondContact O-N 2.94Å; A1029-M1031 VanDerWaalsContact C-N 3.3Å; A1029-M1031 PolarHBondContact O-N 3.5Å; M1031-V1033 PolarHBondContact O-N 2.74Å; M1031-S1034 PolarHBondContact O-N 3.42Å; M1031-S1034 PolarHBondContact O-OG 2.97Å; M1031-S1035 PolarHBondContact O-N 2.91Å
1032	I	67.5	Low	61.4	Low	0 Å²	0	84.5 Å²	84.5	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-56.3	-49.6	174.4	-68.9	161.3	0	0	0	110.4	T837 L838 Y841 I917 L1028 A1029 S1034 S1035 L1036	T837-I1032 HydrophobicContact CG2-CD1 4.32Å; L838-I1032 HydrophobicContact CD2-CD1 3.79Å; L838-I1032 HydrophobicContact CD2-CG1 4.34Å; Y841-I1032 HydrophobicContact CD1-CG2 4.48Å; Y841-I1032 HydrophobicContact CD2-CG2 3.84Å; Y841-I1032 HydrophobicContact CG-CG2 3.73Å; I917-I1032 HydrophobicContact CD1-CB 4.22Å; I917-I1032 HydrophobicContact CD1-CG1 3.58Å; L1028-I1032 HydrophobicContact CG-CD1 4.2Å; L1028-I1032 WeakPolarHBondContact O-CD1 3.37Å; L1028-I1032 WeakPolarHBondContact O-CG1 3.41Å; L1028-I1032 PolarHBondContact O-N 2.8Å; A1029-I1032 PolarHBondContact O-N 3.15Å; I1032-S1034 PolarHBondContact O-N 3.2Å; I1032-S1035 PolarHBondContact O-N 3.3Å; I1032-L1036 HydrophobicContact CG2-CD1 3.83Å; I1032-L1036 WeakPolarHBondContact O-CG 3.47Å; I1032-L1036 PolarHBondContact O-N 3Å
1033	V	65.9	Low	60.6	Low	45 Å²	45	85.4 Å²	85.4	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-58.6	-48.1	177.2	172.1	0	0	0	0	110.9	Y841 A1029 D1030 M1031 S1035 L1036 E1037	Y841-V1033 HydrophobicContact CE1-CG2 3.93Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.1Å; A1029-V1033 PolarHBondContact O-N 2.94Å; D1030-V1033 PolarHBondContact O-N 2.82Å; M1031-V1033 PolarHBondContact O-N 2.74Å; V1033-S1035 VanDerWaalsContact C-N 3.3Å; V1033-S1035 PolarHBondContact O-N 2.97Å; V1033-L1036 PolarHBondContact O-N 3.49Å; V1033-L1036 VanDerWaalsContact O-N 3.16Å; V1033-E1037 HydrophobicContact CG1-CG 4.31Å; V1033-E1037 WeakPolarHBondContact O-CG 3.44Å; V1033-E1037 PolarHBondContact O-N 2.94Å
1034	S	65.6	Low	59.5	Low	41 Å²	41	86.1 Å²	86.1	29%	0.287	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-32.7	-178.4	83.4	0	0	0	0	113.7	D1030 M1031 I1032 K1038	D1030-S1034 WeakPolarHBondContact O-CB 3.19Å; D1030-S1034 PolarHBondContact O-N 2.84Å; M1031-S1034 PolarHBondContact O-N 3.42Å; M1031-S1034 PolarHBondContact O-OG 2.97Å; I1032-S1034 PolarHBondContact O-N 3.2Å; S1034-K1038 WeakPolarHBondContact O-CD 3.46Å; S1034-K1038 VanDerWaalsContact O-CG 3.28Å; S1034-K1038 WeakPolarHBondContact O-CG 3.46Å; S1034-K1038 PolarHBondContact O-N 2.91Å
1035	S	63.8	Low	58.4	Low	22 Å²	22	86.9 Å²	86.9	15%	0.154	46%	0.459	C	S	.	.	H	α-helix	trans	-74.8	-38.2	175.5	-74.9	0	0	0	0	111.8	M1031 I1032 V1033 K1038 H1039	M1031-S1035 PolarHBondContact O-N 2.91Å; I1032-S1035 PolarHBondContact O-N 3.3Å; V1033-S1035 VanDerWaalsContact C-N 3.3Å; V1033-S1035 PolarHBondContact O-N 2.97Å; S1035-K1038 PolarHBondContact O-N 3.42Å; S1035-H1039 PolarHBondContact O-N 2.86Å
1036	L	63.3	Low	57.2	Low	60 Å²	60	90 Å²	90	31%	0.314	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-35.3	174.3	-69.8	170.6	0	0	0	112.6	Y841 L914 I1032 V1033 H1039 R1040	Y841-L1036 HydrophobicContact CD1-CD1 4.45Å; L914-L1036 HydrophobicContact CD2-CD2 4.21Å; L914-L1036 HydrophobicContact CD2-CG 4.23Å; I1032-L1036 HydrophobicContact CG2-CD1 3.83Å; I1032-L1036 WeakPolarHBondContact O-CG 3.47Å; I1032-L1036 PolarHBondContact O-N 3Å; V1033-L1036 PolarHBondContact O-N 3.49Å; V1033-L1036 VanDerWaalsContact O-N 3.16Å; L1036-H1039 CarbonylContact O-C 3.45Å; L1036-H1039 PolarHBondContact O-N 3.45Å; L1036-R1040 PolarHBondContact O-N 3.43Å
1037	E	61.8	Low	55.9	Low	124 Å²	124	92.2 Å²	92.2	58%	0.579	48%	0.482	S	S	*	.	H	α-helix	trans	-67	-43.6	174.2	-73.8	-172.7	153.6	0	0	112.3	V1033 H1039 R1040 A1041	V1033-E1037 HydrophobicContact CG1-CG 4.31Å; V1033-E1037 WeakPolarHBondContact O-CG 3.44Å; V1033-E1037 PolarHBondContact O-N 2.94Å; E1037-H1039 PolarHBondContact O-N 3.03Å; E1037-R1040 WeakPolarHBondContact O-CB 3.46Å; E1037-R1040 PolarHBondContact O-N 3.26Å; E1037-R1040 VanDerWaalsContact O-N 3.11Å; E1037-A1041 PolarHBondContact O-N 2.87Å
1038	K	59.8	Low	54.4	Low	147 Å²	147	97.9 Å²	97.9	64%	0.639	50%	0.503	S	S	*	.	H	α-helix	trans	-56.5	-40.1	169.7	-71.8	163.2	-171.9	158.7	0	111.4	S1034 S1035 A1041 G1042	S1034-K1038 WeakPolarHBondContact O-CD 3.46Å; S1034-K1038 VanDerWaalsContact O-CG 3.28Å; S1034-K1038 WeakPolarHBondContact O-CG 3.46Å; S1034-K1038 PolarHBondContact O-N 2.91Å; S1035-K1038 PolarHBondContact O-N 3.42Å; K1038-A1041 PolarHBondContact O-N 3.29Å; K1038-G1042 PolarHBondContact O-N 3.33Å
1039	H	54.9	Low	52.7	Low	101 Å²	101	107.9 Å²	107.9	47%	0.468	54%	0.54	S	S	.	.	H	α-helix	trans	-70.2	-30.2	176.5	-112.8	-65.1	0	0	0	114.1	S1035 L1036 E1037	S1035-H1039 PolarHBondContact O-N 2.86Å; L1036-H1039 CarbonylContact O-C 3.45Å; L1036-H1039 PolarHBondContact O-N 3.45Å; E1037-H1039 PolarHBondContact O-N 3.03Å
1040	R	49.6	Very low	51	Low	198 Å²	198	116.5 Å²	116.5	75%	0.747	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-45.7	171.4	-90.5	-176.1	168.5	175.6	-1.8	111.9	L1036 E1037 G1042 R1043	L1036-R1040 PolarHBondContact O-N 3.43Å; E1037-R1040 WeakPolarHBondContact O-CB 3.46Å; E1037-R1040 PolarHBondContact O-N 3.26Å; E1037-R1040 VanDerWaalsContact O-N 3.11Å; R1040-G1042 PolarHBondContact O-N 3.46Å; R1040-G1042 VanDerWaalsContact O-N 3.14Å; R1040-R1043 PolarHBondContact O-N 2.88Å
1041	A	47.6	Very low	49.3	Very low	81 Å²	81	117.7 Å²	117.7	67%	0.669	59%	0.585	S	S	*	*	H	α-helix	trans	-57.6	-28.9	178.1	0	0	0	0	0	113	E1037 K1038	E1037-A1041 PolarHBondContact O-N 2.87Å; K1038-A1041 PolarHBondContact O-N 3.29Å
1042	G	48	Very low	47.4	Very low	59 Å²	59	123.1 Å²	123.1	61%	0.608	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-12.5	173.8	0	0	0	0	0	116.1	K1038 R1040	K1038-G1042 PolarHBondContact O-N 3.33Å; R1040-G1042 PolarHBondContact O-N 3.46Å; R1040-G1042 VanDerWaalsContact O-N 3.14Å
1043	R	43.8	Very low	45.6	Very low	167 Å²	167	127.2 Å²	127.2	63%	0.63	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-19.2	-172.1	-81.8	-174.1	178.4	178.8	5.5	115.4	R1040 G1045 F1046	R1040-R1043 PolarHBondContact O-N 2.88Å; R1043-G1045 PolarHBondContact O-N 2.68Å; R1043-G1045 VanDerWaalsContact O-N 3.07Å; R1043-F1046 PolarHBondContact O-N 2.92Å
1044	E	37	Very low	43.8	Very low	183 Å²	183	131 Å²	131	86%	0.855	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-20.1	-179.4	-65.6	-165	140.8	0	0	113.8
1045	G	39.3	Very low	41.9	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-5.2	175.2	0	0	0	0	0	116.3	R1043	R1043-G1045 PolarHBondContact O-N 2.68Å; R1043-G1045 VanDerWaalsContact O-N 3.07Å
1046	F	37.3	Very low	40.1	Very low	153 Å²	153	145.7 Å²	145.7	67%	0.671	73%	0.726	S	S	*	*			trans	-125.1	13.3	-164.4	-102.7	-86.4	0	0	0	117.5	R1043 K1048	R1043-F1046 PolarHBondContact O-N 2.92Å; F1046-K1048 VanDerWaalsContact C-N 3.27Å; F1046-K1048 PolarHBondContact O-N 3.4Å
1047	E	35.4	Very low	38.3	Very low	180 Å²	180	151.9 Å²	151.9	84%	0.841	75%	0.745	S	S	*	*			trans	-71.5	75.8	168.2	-73.2	-145.3	142.6	0	0	113.2
1048	K	35.3	Very low	36.5	Very low	205 Å²	205	155.7 Å²	155.7	89%	0.891	76%	0.755	S	S	*	*			trans	171.1	79	146.2	-92.4	149	-165.7	160.5	0	112	F1046	F1046-K1048 VanDerWaalsContact C-N 3.27Å; F1046-K1048 PolarHBondContact O-N 3.4Å
1049	R	30.4	Very low	34.9	Very low	221 Å²	221	157.8 Å²	157.8	83%	0.834	76%	0.758	S	S	*	*			trans	-137.4	114.5	152.8	-104	171.8	-171.5	176.9	3.2	110.9
1050	K	31	Very low	33.5	Very low	203 Å²	203	157.8 Å²	157.8	88%	0.883	76%	0.762	S	S	*	*			trans	-69.1	158.4	173.5	-70.1	-177.1	174.6	-176.8	0	110.3
1051	T	29.5	Very low	32.3	Very low	138 Å²	138	153.2 Å²	153.2	85%	0.847	76%	0.756	S	S	*	*			trans	-49.7	134.2	177.8	39.4	0	0	0	0	112.8	S1053	T1051-S1053 VanDerWaalsContact C-N 3.33Å; T1051-S1053 PolarHBondContact O-N 3.18Å
1052	L	29.3	Very low	31.1	Very low	186 Å²	186	157.1 Å²	157.1	97%	0.974	77%	0.766	S	S	*	*			trans	-82.8	76.1	-175.5	-113.9	167.7	0	0	0	111.4
1053	S	28.5	Very low	30	Very low	87 Å²	87	158 Å²	158	61%	0.608	77%	0.774	S	S	*	*			trans	-106.8	135.7	165.4	-174	0	0	0	0	110.6	T1051	T1051-S1053 VanDerWaalsContact C-N 3.33Å; T1051-S1053 PolarHBondContact O-N 3.18Å
1054	T	27.8	Very low	29.2	Very low	124 Å²	124	155.7 Å²	155.7	76%	0.761	78%	0.784	S	S	*	*			trans	55.8	106.7	169.4	53.7	0	0	0	0	119.6
1055	R	26.7	Very low	28.7	Very low	244 Å²	244	155.4 Å²	155.4	92%	0.921	79%	0.787	S	S	*	*			trans	-170.4	120	137.4	-102.5	164	-175	-156	-0.6	107.5
1056	V	25.9	Very low	28.1	Very low	128 Å²	128	163.7 Å²	163.7	78%	0.776	80%	0.797	S	S	*	*			cis	91.2	98.3	48.8	175.5	0	0	0	0	113.5
1057	R	25.4	Very low	27.6	Very low	189 Å²	189	166.2 Å²	166.2	71%	0.713	81%	0.807	S	S	*	*			trans	45	130.4	145.8	-78.8	-166.9	169.4	176.4	-0.9	123.5
1058	W	24.4	Very low	27.4	Very low	205 Å²	205	165.5 Å²	165.5	78%	0.777	81%	0.809	S	S	*	*			trans	75.7	152.9	136.3	-69.1	24.9	0	0	0	116.2
1059	R	26.1	Very low	27.2	Very low	190 Å²	190	158.6 Å²	158.6	72%	0.717	80%	0.796	S	S	*	*			cis	-148.2	-173.8	5.4	-135.6	-152.1	-80	165.5	-2.3	108.2
1060	D	25	Very low	27.5	Very low	101 Å²	101	150.5 Å²	150.5	54%	0.54	77%	0.772	S	S	.	*			cis	-157.6	-176.3	7.8	-154	-4.9	0	0	0	111.7
1061	T	25.3	Very low	28.1	Very low	103 Å²	103	144 Å²	144	63%	0.632	75%	0.75	S	S	*	*			trans	24.8	139.9	151	51	0	0	0	0	121.3
1062	N	22.8	Very low	28.9	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	73%	0.734	S	S	*	*			cis	-164.7	154.1	42.7	-127.2	-23.1	0	0	0	112.6
1063	G	24.1	Very low	29.6	Very low	76 Å²	76	134 Å²	134	78%	0.784	69%	0.689	S	S	*	*			trans	168.6	121	172.2	0	0	0	0	0	113.6
1064	S	26.8	Very low	30.3	Very low	119 Å²	119	131 Å²	131	83%	0.832	67%	0.665	S	S	*	*			trans	-100.9	131.2	-168.5	51.6	0	0	0	0	114.4
1065	L	26.6	Very low	31.1	Very low	178 Å²	178	127.4 Å²	127.4	93%	0.932	64%	0.639	S	S	*	*			trans	-161.8	170.8	151.9	-109.7	153.4	0	0	0	111
1066	R	26.8	Very low	31.7	Very low	245 Å²	245	116.3 Å²	116.3	93%	0.925	60%	0.599	S	S	*	*			trans	-82.2	153.1	-162.6	-74.8	178.5	169.3	171.3	-4.6	113.9
1067	K	27.3	Very low	32.2	Very low	206 Å²	206	113.1 Å²	113.1	90%	0.896	59%	0.586	S	S	*	*			trans	-64.3	140.2	177.9	-60.9	175.2	176.8	179.4	0	112.5
1068	D	29.9	Very low	32.5	Very low	165 Å²	165	108.3 Å²	108.3	88%	0.882	58%	0.577	S	S	*	*			trans	-119.7	140.5	140	-95.8	-42.1	0	0	0	107.6
1069	G	32.1	Very low	32.8	Very low	60 Å²	60	102.1 Å²	102.1	62%	0.619	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-93.5	158.3	-174.2	0	0	0	0	0	114.1
1070	P	36.8	Very low	33.2	Very low	51 Å²	51	100.6 Å²	100.6	33%	0.331	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-64.9	149.9	167.7	28.6	-35	0	0	0	112	Y503 H1075	Y503-P1070 HydrophobicContact CE1-CB 4.23Å; Y503-P1070 HydrophobicContact CE2-CB 3.93Å; Y503-P1070 WeakPolarHBondContact OH-CA 3.27Å; P1070-H1075 VanDerWaalsContact CG-NE2 3.28Å; P1070-H1075 WeakPolarHBondContact CG-NE2 3.39Å
1071	P	43.7	Very low	33.3	Very low	65 Å²	65	101.7 Å²	101.7	42%	0.422	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-56	141.7	176.7	-25.7	32.5	0	0	0	113.2	Y503 Y1073 F1074	Y503-P1071 VanDerWaalsContact OH-CD 3.23Å; Y503-P1071 WeakPolarHBondContact OH-CD 3.49Å; P1071-Y1073 PolarHBondContact O-N 3.19Å; P1071-F1074 HydrophobicContact CB-CD2 4.16Å; P1071-F1074 HydrophobicContact CG-CD2 4.31Å; P1071-F1074 HydrophobicContact CG-CE2 4.37Å; P1071-F1074 WeakPolarHBondContact O-CB 3.43Å; P1071-F1074 PolarHBondContact O-N 3.37Å
1072	E	44.8	Very low	33.7	Very low	107 Å²	107	103.1 Å²	103.1	50%	0.5	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-49.9	-32.2	-176.5	-62	-172.2	148.7	0	0	114.5	T620 F1074 H1075	T620-E1072 WeakPolarHBondContact CB-OE2 3.36Å; T620-E1072 WeakPolarHBondContact CG2-OE2 3.45Å; T620-E1072 PolarHBondContact OG1-OE2 3.47Å; T620-E1072 VanDerWaalsContact OG1-OE2 3.05Å; E1072-F1074 PolarHBondContact O-N 3.33Å; E1072-H1075 CarbonylContact O-C 3.57Å; E1072-H1075 PolarHBondContact O-N 3Å
1073	Y	44.3	Very low	34.1	Very low	9 Å²	9	99 Å²	99	4%	0.035	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-52.6	-25.7	177.1	176	-126	0	0	0	114.1	I516 K518 C566 V623 P1071	I516-Y1073 HydrophobicContact CD1-CD1 4.26Å; I516-Y1073 HydrophobicContact CD1-CE1 3.67Å; I516-Y1073 HydrophobicContact CD1-CE2 4.2Å; K518-Y1073 WeakPolarHBondContact CE-O 3.48Å; C566-Y1073 PolarHBondContact N-OH 3.38Å; V623-Y1073 HydrophobicContact CB-CE2 4.35Å; V623-Y1073 HydrophobicContact CG1-CD2 3.65Å; V623-Y1073 HydrophobicContact CG1-CE2 3.49Å; V623-Y1073 VanDerWaalsContact CG1-CE2 3.49Å; P1071-Y1073 PolarHBondContact O-N 3.19Å
1074	F	43.9	Very low	34.1	Very low	22 Å²	22	102.3 Å²	102.3	10%	0.096	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-85.6	-6.6	179	-71.8	-71.2	0	0	0	114.6	Y503 Q506 I516 P1071 E1072	Y503-F1074 HydrophobicContact CE1-CD2 4.39Å; Y503-F1074 HydrophobicContact CE1-CE2 4.18Å; Q506-F1074 PolarHBondContact NE2-O 3.04Å; Q506-F1074 PolarHBondContact OE1-O 2.83Å; I516-F1074 HydrophobicContact CD1-CD1 4.19Å; I516-F1074 HydrophobicContact CD1-CE1 4.3Å; P1071-F1074 HydrophobicContact CB-CD2 4.16Å; P1071-F1074 HydrophobicContact CG-CD2 4.31Å; P1071-F1074 HydrophobicContact CG-CE2 4.37Å; P1071-F1074 WeakPolarHBondContact O-CB 3.43Å; P1071-F1074 PolarHBondContact O-N 3.37Å; E1072-F1074 PolarHBondContact O-N 3.33Å
1075	H	43.9	Very low	34.2	Very low	49 Å²	49	106.5 Å²	106.5	23%	0.227	58%	0.578	C	S	.	*	S	Bend	trans	-135.2	131.5	-179.4	-67.8	-53.4	0	0	0	112.2	P1070 E1072 A1077	P1070-H1075 VanDerWaalsContact CG-NE2 3.28Å; P1070-H1075 WeakPolarHBondContact CG-NE2 3.39Å; E1072-H1075 CarbonylContact O-C 3.57Å; E1072-H1075 PolarHBondContact O-N 3Å; H1075-A1077 PolarHBondContact O-N 3.35Å
1076	L	40.3	Very low	34.3	Very low	12 Å²	12	110 Å²	110	6%	0.063	60%	0.596	C	S	.	*	S	Bend	trans	-68.4	130.4	163.7	-65.9	168.5	0	0	0	107.9	K518 L520 D634 L641 V1078	K518-L1076 HydrophobicContact CB-CD1 3.73Å; K518-L1076 HydrophobicContact CB-CD2 4.44Å; K518-L1076 HydrophobicContact CB-CG 3.86Å; K518-L1076 HydrophobicContact CD-CD2 3.74Å; K518-L1076 HydrophobicContact CD-CG 4.02Å; L520-L1076 HydrophobicContact CD2-CD1 3.43Å; L520-L1076 VanDerWaalsContact CD2-CD1 3.43Å; L520-L1076 HydrophobicContact CG-CD1 4.25Å; D634-L1076 HydrophobicContact CB-CD2 4.18Å; D634-L1076 VanDerWaalsContact OD1-CD2 3.28Å; D634-L1076 WeakPolarHBondContact OD1-CD2 3.4Å; L641-L1076 HydrophobicContact CD1-CB 3.87Å; L641-L1076 HydrophobicContact CD1-CD1 4.06Å; L641-L1076 HydrophobicContact CD1-CD2 3.77Å; L641-L1076 HydrophobicContact CD1-CG 4.07Å; L641-L1076 HydrophobicContact CD2-CB 3.79Å; L641-L1076 HydrophobicContact CG-CB 4.29Å; L1076-V1078 PolarHBondContact O-N 3.15Å
1077	A	36.5	Very low	34.7	Very low	61 Å²	61	103.2 Å²	103.2	50%	0.504	58%	0.579	S	S	.	*			trans	-45.4	127.2	-158.6	0	0	0	0	0	114.8	L641 H1075	L641-A1077 HydrophobicContact CD2-CB 4.26Å; H1075-A1077 PolarHBondContact O-N 3.35Å
1078	V	30.5	Very low	35.1	Very low	88 Å²	88	97.8 Å²	97.8	53%	0.533	56%	0.562	S	S	.	*			trans	-78.9	130.3	171.3	177.5	0	0	0	0	109	L1076	L1076-V1078 PolarHBondContact O-N 3.15Å
1079	T	31.9	Very low	35.4	Very low	74 Å²	74	94.1 Å²	94.1	45%	0.454	55%	0.545	S	S	.	.			trans	-83.4	108.4	165.2	48.2	0	0	0	0	109.3	M642 N1081	M642-T1079 HydrophobicContact CB-CG2 4.35Å; T1079-N1081 PolarHBondContact O-N 2.9Å
1080	D	33.8	Very low	35.6	Very low	159 Å²	159	96.1 Å²	96.1	85%	0.85	54%	0.54	S	S	*	.			trans	-67.1	98	168.3	-83.3	-31.4	0	0	0	109.6
1081	N	26.7	Very low	35.5	Very low	124 Å²	124	98.9 Å²	98.9	66%	0.663	55%	0.553	S	S	*	*			trans	-126.8	86.5	174.7	-164.7	28.1	0	0	0	110.5	T1079 S1083	T1079-N1081 PolarHBondContact O-N 2.9Å; N1081-S1083 PolarHBondContact O-N 2.84Å; N1081-S1083 PolarHBondContact OD1-OG 3.18Å
1082	P	34.2	Very low	34.9	Very low	132 Å²	132	101.1 Å²	101.1	86%	0.857	56%	0.562	S	S	*	*			trans	-83.4	55.7	-170.4	35.4	-37.3	0	0	0	112.5
1083	S	30.3	Very low	34.2	Very low	76 Å²	76	100.7 Å²	100.7	53%	0.531	57%	0.567	S	S	.	*			trans	-151.2	66.5	-172.6	70.4	0	0	0	0	116.5	N1081	N1081-S1083 PolarHBondContact O-N 2.84Å; N1081-S1083 PolarHBondContact OD1-OG 3.18Å
1084	T	24	Very low	33.4	Very low	146 Å²	146	107.8 Å²	107.8	90%	0.896	61%	0.607	S	S	*	*			trans	-154.5	126.6	141.1	10.3	0	0	0	0	110.8
1085	F	30.5	Very low	32.6	Very low	208 Å²	208	114.9 Å²	114.9	91%	0.912	65%	0.65	S	S	*	*			trans	-101.2	129.3	161	-90.5	-95.8	0	0	0	108.1
1086	L	28.3	Very low	31.6	Very low	250 Å²	250	120.9 Å²	120.9	100%	1.309	69%	0.688	S	S	*	*			trans	-170.3	0	134.8	-104.8	164.5	0	0	0	109.9

Retrieved 1,086 of 1,086 residues in 2804.9 ms (Link to these results)

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