A0A3B3V7Y2_9TELE Loading...

MALT1 paracaspase

AlphaFold DB , UniProt , Accession A0A3B3V7Y2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 828 aa.

						>A0A3B3V7Y2_9TELE|A0A3B3V7Y2
MSDSLERSTKINLLKESIVKKLCEVLDKSNSKGWRKLGEIVSSDRRFKVSSDDMEMCSLRVLEVEGSPSLMLLRLMGERGCTMGHLTDYLQTLGNSDALQCLKPPALQILIQPQSVALICGHNLRLSCHAVGKSPVQYQWFKSREEVPNSFSPELLISPVQLKDAGFYICRVNCGDACEFSQWAQVDVLNVTMSYAPGQSYQSIDGRLKLAIHPQSQRLHVGETLQLECGAVGRPIPRYQWHRNGVPIPNATKRKLMIPQVMQDHHGRYRCEISSSTERMWTNEVDVVIAPRISVQISGAMECSEDDIYAIGGDSCELFLNSLPEQLYATDKVALLIGNLSYQNHPQLKAPMVDVYDLTNLLRQLNFKVVSLLDLTESEMRNAVDEFLLLLHKGVYGLLYYAGHGYENYGNSFMVPVDAPNPYHSANCLCVQSILKLMQEKETGLNVFLLDMCRKRNIHDESTPNIVLRVTANIVFGYATCQDAEAFELSSTGFTNGVFVKFLKKRLLDDEKITVVLDRVAEDMGQFDATKGKQALEIRSSLSERRALTDPILPSDSADLVHAHSRQWAKAHELPESMSLNFDCGAQIKLGFAAEFSNVLVIYTHIVKKPEDMSFCQAHVTDFSLDLDVDPKEMNRETPEETGIYLLSSSLPQHCLYTRLSSLQKLREELVFTVCLQGTFAAMDDDHPIFWTKSVNIGKPLIARLDLHRAVRRNSCLQTCMMPHSPSQSPCHSPGPEHQHHLHHGSHQDYNRLSPQHGYLHISEHAQGAAGGCSFSCYDQLSQCDFDRAYESDGLLSSPGKLSIPIEATEDINELQAVFISSLHLQPQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	63.9	Low	219 Å²	219	99.7 Å²	99.7	100%	1.079	53%	0.528	S	S	*	.				0	-22.6	0	-83.7	-176.9	156.4	0	0	113.5	S4	M1-S4 PolarHBondContact O-OG 3.21Å
2	S	43.6	Very low	65.6	Low	85 Å²	85	98.4 Å²	98.4	59%	0.594	52%	0.521	S	S	*	.	H	α-helix	trans	-72.9	-45.1	177.8	54.6	0	0	0	0	114.1	S4 L5 E6	S2-S4 VanDerWaalsContact C-N 3.29Å; S2-S4 PolarHBondContact O-N 2.99Å; S2-L5 PolarHBondContact O-N 3.48Å; S2-L5 VanDerWaalsContact O-N 3.07Å; S2-E6 PolarHBondContact O-N 3.49Å; S2-E6 VanDerWaalsContact O-N 3.12Å
3	D	47.5	Very low	66.9	Low	122 Å²	122	100.7 Å²	100.7	65%	0.652	53%	0.533	S	S	*	.	H	α-helix	trans	-61.8	-31.8	-178.7	-90.1	-10.4	0	0	0	113.9	L5 R7	D3-L5 VanDerWaalsContact C-N 3.34Å; D3-R7 PolarHBondContact O-N 3.01Å
4	S	52.8	Low	68	Low	84 Å²	84	95.3 Å²	95.3	59%	0.587	50%	0.504	S	S	*	.	H	α-helix	trans	-74.7	-25.5	177.5	61.5	0	0	0	0	112.9	M1 S2 S8	M1-S4 PolarHBondContact O-OG 3.21Å; S2-S4 VanDerWaalsContact C-N 3.29Å; S2-S4 PolarHBondContact O-N 2.99Å; S4-S8 PolarHBondContact O-OG 3.38Å
5	L	56.3	Low	68.8	Low	124 Å²	124	97.1 Å²	97.1	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-82.5	-33.8	178.3	-158.6	74.1	0	0	0	111.2	S2 D3 S8 T9	S2-L5 PolarHBondContact O-N 3.48Å; S2-L5 VanDerWaalsContact O-N 3.07Å; D3-L5 VanDerWaalsContact C-N 3.34Å; L5-S8 PolarHBondContact O-OG 3.43Å; L5-T9 PolarHBondContact O-OG1 3.17Å
6	E	61.7	Low	69.6	Low	87 Å²	87	101.6 Å²	101.6	41%	0.407	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-39.6	175.6	-71.9	-174.2	176.8	0	0	112.1	S2 S8 T9 M83	S2-E6 PolarHBondContact O-N 3.49Å; S2-E6 VanDerWaalsContact O-N 3.12Å; E6-S8 VanDerWaalsContact C-N 3.3Å; E6-S8 PolarHBondContact O-N 3.34Å; E6-T9 WeakPolarHBondContact O-CB 3.49Å; E6-T9 PolarHBondContact O-N 3.26Å; E6-T9 PolarHBondContact O-OG1 2.96Å; E6-M83 WeakPolarHBondContact O-CB 3.36Å
7	R	73.3	Confident	70	Confident	134 Å²	134	100.2 Å²	100.2	51%	0.506	53%	0.525	S	S	.	.	H	α-helix	trans	-68.1	-23.8	178.3	-70	-174.7	103.9	166.7	2	114.3	D3 T82 G84 D88	D3-R7 PolarHBondContact O-N 3.01Å; R7-T82 WeakPolarHBondContact O-CB 3.47Å; R7-T82 PolarHBondContact O-OG1 3.03Å; R7-G84 PolarHBondContact O-N 2.96Å; R7-D88 IonicContact NH2-OD1 3.92Å; R7-D88 PolarHBondContact NH2-OD1 3.47Å
8	S	76.1	Confident	70.7	Confident	70 Å²	70	96.7 Å²	96.7	49%	0.49	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.7	178.5	62.7	0	0	0	0	113.8	S4 L5 E6 K10	S4-S8 PolarHBondContact O-OG 3.38Å; L5-S8 PolarHBondContact O-OG 3.43Å; E6-S8 VanDerWaalsContact C-N 3.3Å; E6-S8 PolarHBondContact O-N 3.34Å; S8-K10 PolarHBondContact O-N 3.04Å
9	T	82.4	Confident	71.6	Confident	50 Å²	50	92.8 Å²	92.8	31%	0.307	49%	0.487	S	S	.	.	S	Bend	trans	-65.1	130.2	178.7	-60.2	0	0	0	0	110.6	L5 E6 L13 T82 M83	L5-T9 PolarHBondContact O-OG1 3.17Å; E6-T9 WeakPolarHBondContact O-CB 3.49Å; E6-T9 PolarHBondContact O-N 3.26Å; E6-T9 PolarHBondContact O-OG1 2.96Å; T9-L13 HydrophobicContact CG2-CB 4.11Å; T9-T82 CarbonylContact O-C 3.12Å; T9-T82 VanDerWaalsContact O-CA 3.28Å; T9-T82 WeakPolarHBondContact O-CA 3.25Å; T9-T82 WeakPolarHBondContact O-CB 3.36Å; T9-M83 HydrophobicContact CG2-CG 4.47Å; T9-M83 PolarHBondContact O-N 3.11Å
10	K	84.9	Confident	72.2	Confident	117 Å²	117	94.9 Å²	94.9	51%	0.509	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-66.4	143.1	176.5	-67.7	-174.5	178.6	-177.2	0	110.7	S8 N12 L13	S8-K10 PolarHBondContact O-N 3.04Å; K10-N12 PolarHBondContact O-N 3.21Å; K10-L13 HydrophobicContact CB-CD1 4.22Å; K10-L13 HydrophobicContact CB-CG 4.33Å; K10-L13 WeakPolarHBondContact O-CB 3.45Å; K10-L13 PolarHBondContact O-N 2.67Å
11	I	86.6	Confident	72.9	Confident	5 Å²	5	96.4 Å²	96.4	3%	0.026	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-57	-36.7	179.5	-66	171.4	0	0	0	111.7	L13 L14 L73 M76 C81 L86	I11-L13 PolarHBondContact O-N 3.01Å; I11-L13 VanDerWaalsContact O-N 3.11Å; I11-L14 HydrophobicContact CB-CD1 4.48Å; I11-L14 HydrophobicContact CG2-CD1 4Å; I11-L14 VanDerWaalsContact O-CB 3.25Å; I11-L14 WeakPolarHBondContact O-CB 3.44Å; I11-L14 VanDerWaalsContact O-CG 3.32Å; I11-L14 WeakPolarHBondContact O-CG 3.49Å; I11-L14 PolarHBondContact O-N 3.24Å; I11-L73 HydrophobicContact CG2-CB 4.45Å; I11-L73 HydrophobicContact CG2-CD2 4.41Å; I11-M76 HydrophobicContact CD1-CB 4.24Å; I11-M76 HydrophobicContact CD1-CE 4.21Å; I11-C81 HydrophobicContact CD1-CB 3.65Å; I11-C81 VanDerWaalsContact CD1-SG 3.54Å; I11-C81 WeakPolarHBondContact CG1-O 3.32Å; I11-C81 PolarHBondContact N-O 2.95Å; I11-C81 VanDerWaalsContact N-O 3.08Å; I11-L86 HydrophobicContact CD1-CB 3.77Å; I11-L86 HydrophobicContact CD1-CD1 4.44Å; I11-L86 HydrophobicContact CD1-CD2 4.09Å; I11-L86 HydrophobicContact CD1-CG 4.31Å; I11-L86 HydrophobicContact CG1-CB 4.19Å; I11-L86 HydrophobicContact CG1-CD2 4.17Å; I11-L86 HydrophobicContact CG2-CD2 4.49Å
12	N	83.6	Confident	75.3	Confident	84 Å²	84	86 Å²	86	45%	0.449	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-64.6	-14	178	-71.1	-11.4	0	0	0	114.4	K10 G77 E78	K10-N12 PolarHBondContact O-N 3.21Å; N12-G77 PolarHBondContact ND2-O 2.9Å; N12-G77 WeakPolarHBondContact OD1-CA 3.27Å; N12-E78 PolarHBondContact ND2-N 2.99Å
13	L	82.9	Confident	77.5	Confident	128 Å²	128	82.4 Å²	82.4	67%	0.67	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-97	4.4	177.1	-61.6	173.4	0	0	0	112.3	T9 K10 I11	T9-L13 HydrophobicContact CG2-CB 4.11Å; K10-L13 HydrophobicContact CB-CD1 4.22Å; K10-L13 HydrophobicContact CB-CG 4.33Å; K10-L13 WeakPolarHBondContact O-CB 3.45Å; K10-L13 PolarHBondContact O-N 2.67Å; I11-L13 PolarHBondContact O-N 3.01Å; I11-L13 VanDerWaalsContact O-N 3.11Å
14	L	82.8	Confident	79.5	Confident	25 Å²	25	80.7 Å²	80.7	13%	0.131	41%	0.406	C	S	.	.	S	Bend	trans	-64.6	143.8	174.3	-76.6	170.7	0	0	0	111.2	I11 E16 I18 V19 M83 L86 L102	I11-L14 HydrophobicContact CB-CD1 4.48Å; I11-L14 HydrophobicContact CG2-CD1 4Å; I11-L14 VanDerWaalsContact O-CB 3.25Å; I11-L14 WeakPolarHBondContact O-CB 3.44Å; I11-L14 VanDerWaalsContact O-CG 3.32Å; I11-L14 WeakPolarHBondContact O-CG 3.49Å; I11-L14 PolarHBondContact O-N 3.24Å; L14-E16 PolarHBondContact O-N 3.21Å; L14-I18 HydrophobicContact CD2-CG2 4.41Å; L14-V19 HydrophobicContact CB-CG2 3.68Å; L14-V19 HydrophobicContact CD1-CG2 4.43Å; L14-M83 HydrophobicContact CD1-SD 3.51Å; L14-M83 VanDerWaalsContact CD1-SD 3.51Å; L14-M83 HydrophobicContact CD2-CE 3.59Å; L14-M83 HydrophobicContact CD2-CG 3.84Å; L14-M83 HydrophobicContact CD2-SD 3.15Å; L14-M83 WeakPolarHBondContact CD2-SD 3.43Å; L14-M83 HydrophobicContact CG-CG 4.27Å; L14-M83 HydrophobicContact CG-SD 3.65Å; L14-L86 HydrophobicContact CD1-CD2 4.43Å; L14-L102 HydrophobicContact CD1-CD2 4.49Å
15	K	79.9	Confident	81.3	Confident	122 Å²	122	78.5 Å²	78.5	53%	0.53	39%	0.389	S	S	.	.			trans	-59	135.6	171.6	-67.1	-177.1	179.5	176.9	0	109.5	S17 I18 V19	K15-S17 PolarHBondContact O-N 3.5Å; K15-S17 VanDerWaalsContact O-N 3.12Å; K15-I18 HydrophobicContact CB-CD1 4.21Å; K15-I18 HydrophobicContact CB-CG1 4.36Å; K15-I18 WeakPolarHBondContact O-CB 3.33Å; K15-I18 PolarHBondContact O-N 2.85Å; K15-V19 PolarHBondContact O-N 2.78Å; K15-V19 VanDerWaalsContact O-N 3.17Å
16	E	80.9	Confident	82.9	Confident	170 Å²	170	72.7 Å²	72.7	79%	0.794	36%	0.358	S	S	*	.	H	α-helix	trans	-54.6	-34.5	-178.7	-170.2	174.6	-171.5	0	0	113	L14 I18 V19 K20	L14-E16 PolarHBondContact O-N 3.21Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 3.37Å; E16-V19 PolarHBondContact O-N 3.32Å; E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 PolarHBondContact O-N 3.43Å
17	S	76.2	Confident	84.3	Confident	77 Å²	77	71.1 Å²	71.1	54%	0.538	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-32.1	175.5	58.2	0	0	0	0	113.9	K15 K21	K15-S17 PolarHBondContact O-N 3.5Å; K15-S17 VanDerWaalsContact O-N 3.12Å; S17-K21 WeakPolarHBondContact O-CG 3.38Å; S17-K21 PolarHBondContact O-N 2.9Å
18	I	82.8	Confident	84.9	Confident	38 Å²	38	72.5 Å²	72.5	20%	0.195	36%	0.363	C	S	.	.	H	α-helix	trans	-74.9	-46.2	175.3	-64.8	172.5	0	0	0	109.3	L14 K15 E16 K20 K21 L22 C101 L102	L14-I18 HydrophobicContact CD2-CG2 4.41Å; K15-I18 HydrophobicContact CB-CD1 4.21Å; K15-I18 HydrophobicContact CB-CG1 4.36Å; K15-I18 WeakPolarHBondContact O-CB 3.33Å; K15-I18 PolarHBondContact O-N 2.85Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 3.37Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.45Å; I18-K21 PolarHBondContact O-N 2.72Å; I18-L22 HydrophobicContact CG2-CD1 3.88Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 2.68Å; I18-C101 WeakPolarHBondContact CG2-O 3.48Å; I18-L102 HydrophobicContact CG2-CD2 4.19Å
19	V	87.3	Confident	85.2	Confident	23 Å²	23	70.8 Å²	70.8	14%	0.139	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-45.5	178.6	179.4	0	0	0	0	110.7	L14 K15 E16 K21 L22 C23 L70 L73	L14-V19 HydrophobicContact CB-CG2 3.68Å; L14-V19 HydrophobicContact CD1-CG2 4.43Å; K15-V19 PolarHBondContact O-N 2.78Å; K15-V19 VanDerWaalsContact O-N 3.17Å; E16-V19 PolarHBondContact O-N 3.32Å; V19-K21 PolarHBondContact O-N 2.64Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 2.66Å; V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.02Å; V19-C23 PolarHBondContact O-SG 3.09Å; V19-L70 HydrophobicContact CG1-CD1 3.46Å; V19-L70 VanDerWaalsContact CG1-CD1 3.46Å; V19-L73 HydrophobicContact CG1-CD1 4.4Å
20	K	85.1	Confident	84.7	Confident	134 Å²	134	76.5 Å²	76.5	58%	0.583	38%	0.379	S	S	*	.	H	α-helix	trans	-60	-47.3	178.2	-173	174.4	179.5	174	0	112.5	E16 I18 L22 C23 E24	E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 PolarHBondContact O-N 3.43Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.45Å; K20-L22 PolarHBondContact O-N 3.17Å; K20-C23 PolarHBondContact O-N 3Å; K20-E24 WeakPolarHBondContact CE-OE1 3.38Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 3.48Å
21	K	85.6	Confident	84.4	Confident	127 Å²	127	75.4 Å²	75.4	55%	0.552	39%	0.386	S	S	*	.	H	α-helix	trans	-61.4	-42.7	176.6	-73.4	178.4	179.7	-175.6	0	112.1	S17 I18 V19 C23 E24 V25 C101	S17-K21 WeakPolarHBondContact O-CG 3.38Å; S17-K21 PolarHBondContact O-N 2.9Å; I18-K21 PolarHBondContact O-N 2.72Å; V19-K21 PolarHBondContact O-N 2.64Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.16Å; K21-E24 PolarHBondContact O-N 2.92Å; K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 3.35Å; K21-V25 VanDerWaalsContact O-N 3.09Å; K21-C101 HydrophobicContact CB-CB 4.45Å
22	L	89.3	Confident	84.3	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-44.7	174.5	-73.3	165.5	0	0	0	111.4	I18 V19 K20 V25 L26 L73 L86 L90 A98 C101 L102	I18-L22 HydrophobicContact CG2-CD1 3.88Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 2.68Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 2.66Å; K20-L22 PolarHBondContact O-N 3.17Å; L22-V25 PolarHBondContact O-N 3.07Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.38Å; L22-L73 HydrophobicContact CB-CD1 4.32Å; L22-L86 HydrophobicContact CD1-CD2 4.41Å; L22-L90 HydrophobicContact CD2-CD1 4.2Å; L22-A98 HydrophobicContact CD2-CB 4.11Å; L22-A98 WeakPolarHBondContact CD2-O 3.4Å; L22-C101 HydrophobicContact CD2-CB 3.69Å; L22-C101 HydrophobicContact CG-CB 3.89Å; L22-L102 HydrophobicContact CD1-CD2 3.55Å; L22-L102 HydrophobicContact CD2-CD2 4.11Å; L22-L102 HydrophobicContact CD2-CG 4.24Å; L22-L102 HydrophobicContact CG-CD2 4.34Å
23	C	89.9	Confident	84.5	Confident	8 Å²	8	75.7 Å²	75.7	5%	0.054	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-44.4	-179.6	-63.9	0	0	0	0	111.5	V19 K20 K21 V25 L26 D27 S69 L70	V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.02Å; V19-C23 PolarHBondContact O-SG 3.09Å; K20-C23 PolarHBondContact O-N 3Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.16Å; C23-V25 VanDerWaalsContact C-N 3.3Å; C23-V25 PolarHBondContact O-N 3.35Å; C23-L26 PolarHBondContact O-N 3.49Å; C23-D27 VanDerWaalsContact O-CB 3.26Å; C23-D27 WeakPolarHBondContact O-CB 3.42Å; C23-D27 VanDerWaalsContact O-CG 3.31Å; C23-D27 PolarHBondContact O-N 3.26Å; C23-S69 WeakPolarHBondContact CA-OG 3.23Å; C23-S69 WeakPolarHBondContact CB-OG 3.29Å; C23-S69 PolarHBondContact O-OG 3.1Å; C23-L70 VanDerWaalsContact SG-CA 3.55Å
24	E	88.5	Confident	84.9	Confident	87 Å²	87	71.1 Å²	71.1	41%	0.407	36%	0.359	S	S	.	.	H	α-helix	trans	-57.4	-42.1	175.5	-73.8	174.5	-164.3	0	0	112.4	K20 K21 K28	K20-E24 WeakPolarHBondContact CE-OE1 3.38Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 3.48Å; K21-E24 PolarHBondContact O-N 2.92Å; E24-K28 VanDerWaalsContact O-CB 3.28Å; E24-K28 WeakPolarHBondContact O-CB 3.33Å; E24-K28 WeakPolarHBondContact O-CD 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.09Å
25	V	90.8	Very high	85.2	Confident	38 Å²	38	77 Å²	77	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-70.6	-43.2	178.2	172.9	0	0	0	0	111.4	K21 L22 C23 S29 D97 A98	K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 3.35Å; K21-V25 VanDerWaalsContact O-N 3.09Å; L22-V25 PolarHBondContact O-N 3.07Å; C23-V25 VanDerWaalsContact C-N 3.3Å; C23-V25 PolarHBondContact O-N 3.35Å; V25-S29 WeakPolarHBondContact O-CB 3.22Å; V25-S29 PolarHBondContact O-N 3.35Å; V25-D97 HydrophobicContact CG1-CB 3.94Å; V25-D97 HydrophobicContact CG2-CB 4.46Å; V25-A98 HydrophobicContact CG1-CB 4.07Å
26	L	90.9	Very high	85.7	Confident	1 Å²	1	76 Å²	76	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-76.8	-31	-175.2	-70.5	171.4	0	0	0	113.2	L22 C23 G33 W34 L37 L90 L93 A98	L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.38Å; C23-L26 PolarHBondContact O-N 3.49Å; L26-G33 CarbonylContact O-C 3.53Å; L26-G33 WeakPolarHBondContact O-CA 3.15Å; L26-W34 HydrophobicContact CB-CB 4.25Å; L26-W34 PolarHBondContact O-N 2.95Å; L26-L37 HydrophobicContact CD1-CD2 3.8Å; L26-L37 HydrophobicContact CD2-CD2 4.28Å; L26-L90 HydrophobicContact CD2-CD2 3.99Å; L26-L93 HydrophobicContact CD2-CD2 4.16Å; L26-A98 HydrophobicContact CD2-CB 4.43Å
27	D	90.3	Very high	86.2	Confident	54 Å²	54	67.9 Å²	67.9	29%	0.289	34%	0.337	S	S	.	.	H	α-helix	trans	-79.1	-32.4	177.1	-69.9	-20.1	0	0	0	112.1	C23 S67 S69	C23-D27 VanDerWaalsContact O-CB 3.26Å; C23-D27 WeakPolarHBondContact O-CB 3.42Å; C23-D27 VanDerWaalsContact O-CG 3.31Å; C23-D27 PolarHBondContact O-N 3.26Å; D27-S67 WeakPolarHBondContact OD2-CB 3.09Å; D27-S67 PolarHBondContact OD2-OG 2.83Å; D27-S69 WeakPolarHBondContact OD1-CB 3.3Å; D27-S69 PolarHBondContact OD1-N 3.48Å; D27-S69 PolarHBondContact OD1-OG 3.09Å; D27-S69 PolarHBondContact OD2-OG 3Å
28	K	85.1	Confident	86.8	Confident	164 Å²	164	64.2 Å²	64.2	71%	0.713	31%	0.311	S	S	*	.	H	α-helix	trans	-80.4	-15.1	178	-69.9	176.1	-177.2	172.1	0	114	E24	E24-K28 VanDerWaalsContact O-CB 3.28Å; E24-K28 WeakPolarHBondContact O-CB 3.33Å; E24-K28 WeakPolarHBondContact O-CD 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.09Å
29	S	82.9	Confident	87.1	Confident	33 Å²	33	66.6 Å²	66.6	23%	0.231	32%	0.321	C	S	.	.			trans	-88.8	113.7	-175.4	-171.3	0	0	0	0	112	V25 K32 G33	V25-S29 WeakPolarHBondContact O-CB 3.22Å; V25-S29 PolarHBondContact O-N 3.35Å; S29-K32 VanDerWaalsContact OG-C 3.25Å; S29-K32 WeakPolarHBondContact OG-CA 3.31Å; S29-K32 WeakPolarHBondContact OG-CB 3.25Å; S29-K32 PolarHBondContact OG-N 3.17Å; S29-K32 PolarHBondContact OG-O 3.1Å; S29-G33 WeakPolarHBondContact O-CA 3.43Å; S29-G33 PolarHBondContact O-N 3.41Å
30	N	72.1	Confident	87.2	Confident	170 Å²	170	67 Å²	67	91%	0.909	32%	0.323	S	S	*	.	S	Bend	trans	-72.7	-36	-178.3	-70.3	-14.1	0	0	0	113.6
31	S	78.4	Confident	87.4	Confident	94 Å²	94	60.7 Å²	60.7	66%	0.657	30%	0.295	S	S	*	.	S	Bend	trans	-106.6	-19.5	-175.3	59.3	0	0	0	0	114.1
32	K	85.4	Confident	87.4	Confident	91 Å²	91	56.5 Å²	56.5	40%	0.396	28%	0.282	S	S	.	.	S	Bend	trans	-129.6	33.2	-179	-59.9	-179.4	177.7	-178.3	0	111.7	S29 L93 G94 N95	S29-K32 VanDerWaalsContact OG-C 3.25Å; S29-K32 WeakPolarHBondContact OG-CA 3.31Å; S29-K32 WeakPolarHBondContact OG-CB 3.25Å; S29-K32 PolarHBondContact OG-N 3.17Å; S29-K32 PolarHBondContact OG-O 3.1Å; K32-L93 HydrophobicContact CB-CD1 4.29Å; K32-L93 HydrophobicContact CB-CG 4.17Å; K32-L93 WeakPolarHBondContact O-CD2 3.21Å; K32-G94 PolarHBondContact NZ-O 3.46Å; K32-N95 HydrophobicContact CB-CB 4.37Å; K32-N95 PolarHBondContact O-ND2 3.36Å
33	G	87.1	Confident	87.2	Confident	5 Å²	5	61.4 Å²	61.4	5%	0.052	32%	0.316	C	S	.	.	S	Bend	trans	-94.4	-170.1	-176.5	0	0	0	0	0	114.7	L26 S29 R35 K36 L37	L26-G33 CarbonylContact O-C 3.53Å; L26-G33 WeakPolarHBondContact O-CA 3.15Å; S29-G33 WeakPolarHBondContact O-CA 3.43Å; S29-G33 PolarHBondContact O-N 3.41Å; G33-R35 VanDerWaalsContact C-N 3.28Å; G33-R35 PolarHBondContact O-N 2.95Å; G33-K36 PolarHBondContact O-N 2.87Å; G33-L37 PolarHBondContact O-N 3.3Å
34	W	91.4	Very high	86.8	Confident	32 Å²	32	62.4 Å²	62.4	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-56.8	-37	-174.5	74.8	-91.5	0	0	0	113.7	L26 K36 L37 G38 M54 C57 P68 L72	L26-W34 HydrophobicContact CB-CB 4.25Å; L26-W34 PolarHBondContact O-N 2.95Å; W34-K36 PolarHBondContact O-N 3.09Å; W34-L37 WeakPolarHBondContact O-CB 3.04Å; W34-L37 PolarHBondContact O-N 3.12Å; W34-G38 PolarHBondContact O-N 3.41Å; W34-M54 HydrophobicContact CE3-CE 4.34Å; W34-M54 HydrophobicContact CZ3-CE 3.85Å; W34-M54 HydrophobicContact CZ3-SD 4.45Å; W34-C57 HydrophobicContact CE3-CB 4.22Å; W34-C57 HydrophobicContact CH2-CB 4.05Å; W34-C57 HydrophobicContact CZ3-CB 3.54Å; W34-P68 HydrophobicContact CD2-CB 3.64Å; W34-P68 HydrophobicContact CE3-CB 4.13Å; W34-P68 HydrophobicContact CG-CB 4.11Å; W34-P68 HydrophobicContact CH2-CB 4.12Å; W34-P68 HydrophobicContact CZ2-CB 3.61Å; W34-P68 HydrophobicContact CZ2-CG 4.33Å; W34-P68 HydrophobicContact CZ3-CB 4.36Å; W34-L72 HydrophobicContact CB-CD2 4.4Å; W34-L72 HydrophobicContact CE3-CD2 4.25Å; W34-L72 WeakPolarHBondContact O-CD2 3.44Å
35	R	90.2	Very high	86.4	Confident	148 Å²	148	69.1 Å²	69.1	56%	0.558	34%	0.343	S	S	*	.	H	α-helix	trans	-63.9	-43.5	-179.4	-175.5	175.3	-85.7	-157.2	-5.6	111.1	G33 G38 E39 M54	G33-R35 VanDerWaalsContact C-N 3.28Å; G33-R35 PolarHBondContact O-N 2.95Å; R35-G38 PolarHBondContact O-N 3.2Å; R35-E39 PolarHBondContact O-N 2.62Å; R35-E39 VanDerWaalsContact O-N 3.09Å; R35-M54 HydrophobicContact CB-CE 4.47Å; R35-M54 HydrophobicContact CG-CE 4.03Å; R35-M54 WeakPolarHBondContact O-CE 3.38Å
36	K	89.6	Confident	85.9	Confident	101 Å²	101	74.8 Å²	74.8	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-70.5	-35.6	177.5	-161.2	74.9	-166	164.8	0	111.9	G33 W34 G38 E39 I40 L93	G33-K36 PolarHBondContact O-N 2.87Å; W34-K36 PolarHBondContact O-N 3.09Å; K36-G38 VanDerWaalsContact C-N 3.33Å; K36-E39 WeakPolarHBondContact CD-OE2 3.41Å; K36-E39 WeakPolarHBondContact CE-OE2 3.31Å; K36-E39 IonicContact NZ-OE2 2.72Å; K36-E39 PolarHBondContact NZ-OE2 3.31Å; K36-E39 PolarHBondContact O-N 3.15Å; K36-I40 WeakPolarHBondContact O-CG1 3.48Å; K36-I40 PolarHBondContact O-N 3.42Å; K36-I40 VanDerWaalsContact O-N 3.1Å; K36-L93 HydrophobicContact CB-CD1 3.74Å; K36-L93 HydrophobicContact CG-CD1 3.65Å
37	L	90.7	Very high	85.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-46	170	-178.8	61.8	0	0	0	111	L26 G33 W34 E39 I40 V41 L72 L86 L90 L93	L26-L37 HydrophobicContact CD1-CD2 3.8Å; L26-L37 HydrophobicContact CD2-CD2 4.28Å; G33-L37 PolarHBondContact O-N 3.3Å; W34-L37 WeakPolarHBondContact O-CB 3.04Å; W34-L37 PolarHBondContact O-N 3.12Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-E39 PolarHBondContact O-N 3.2Å; L37-I40 PolarHBondContact O-N 3.16Å; L37-V41 HydrophobicContact CD1-CG2 4.32Å; L37-V41 HydrophobicContact CG-CG2 4.43Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.22Å; L37-L72 HydrophobicContact CB-CD2 4.37Å; L37-L72 HydrophobicContact CD2-CD2 4.4Å; L37-L72 HydrophobicContact CG-CD2 4.37Å; L37-L86 HydrophobicContact CD2-CD1 4.4Å; L37-L90 HydrophobicContact CD1-CD2 4.09Å; L37-L90 HydrophobicContact CD2-CD2 4.15Å; L37-L93 HydrophobicContact CB-CD2 4.13Å; L37-L93 HydrophobicContact CD1-CD2 4.43Å
38	G	89.5	Confident	84.8	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.3	-38.7	177	0	0	0	0	0	113.4	W34 R35 K36 V41 S42	W34-G38 PolarHBondContact O-N 3.41Å; R35-G38 PolarHBondContact O-N 3.2Å; K36-G38 VanDerWaalsContact C-N 3.33Å; G38-V41 PolarHBondContact O-N 3.04Å; G38-S42 WeakPolarHBondContact O-CB 3.17Å; G38-S42 PolarHBondContact O-N 3.21Å; G38-S42 PolarHBondContact O-OG 3.25Å
39	E	88.8	Confident	84.7	Confident	87 Å²	87	72.3 Å²	72.3	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-42.6	173.5	-70.1	171.3	-159.8	0	0	112.8	R35 K36 L37 V41 S42 S43	R35-E39 PolarHBondContact O-N 2.62Å; R35-E39 VanDerWaalsContact O-N 3.09Å; K36-E39 WeakPolarHBondContact CD-OE2 3.41Å; K36-E39 WeakPolarHBondContact CE-OE2 3.31Å; K36-E39 IonicContact NZ-OE2 2.72Å; K36-E39 PolarHBondContact NZ-OE2 3.31Å; K36-E39 PolarHBondContact O-N 3.15Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-E39 PolarHBondContact O-N 3.2Å; E39-V41 VanDerWaalsContact C-N 3.35Å; E39-S42 PolarHBondContact O-N 2.68Å; E39-S43 PolarHBondContact O-N 3.39Å; E39-S43 PolarHBondContact O-OG 3.29Å
40	I	89.4	Confident	84.9	Confident	33 Å²	33	73.1 Å²	73.1	17%	0.169	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-45.6	176.4	-67.8	167.4	0	0	0	110	K36 L37 S42 S43 Y89 T92 L93	K36-I40 WeakPolarHBondContact O-CG1 3.48Å; K36-I40 PolarHBondContact O-N 3.42Å; K36-I40 VanDerWaalsContact O-N 3.1Å; L37-I40 PolarHBondContact O-N 3.16Å; I40-S42 PolarHBondContact O-N 3.18Å; I40-S43 WeakPolarHBondContact O-CB 3.36Å; I40-S43 PolarHBondContact O-N 3.24Å; I40-Y89 HydrophobicContact CG2-CD1 3.73Å; I40-Y89 HydrophobicContact CG2-CG 4.28Å; I40-T92 HydrophobicContact CD1-CG2 4.37Å; I40-T92 HydrophobicContact CG2-CG2 4.31Å; I40-L93 HydrophobicContact CD1-CB 3.83Å; I40-L93 HydrophobicContact CD1-CD1 3.85Å; I40-L93 HydrophobicContact CD1-CG 4.43Å
41	V	90.1	Very high	85.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-38.8	179	177	0	0	0	0	111.2	L37 G38 E39 S43 D44 F47 V49 M76 Y89	L37-V41 HydrophobicContact CD1-CG2 4.32Å; L37-V41 HydrophobicContact CG-CG2 4.43Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.22Å; G38-V41 PolarHBondContact O-N 3.04Å; E39-V41 VanDerWaalsContact C-N 3.35Å; V41-S43 PolarHBondContact O-N 2.86Å; V41-D44 WeakPolarHBondContact O-CB 3.36Å; V41-D44 PolarHBondContact O-N 2.95Å; V41-F47 HydrophobicContact CG1-CB 4.09Å; V41-F47 VanDerWaalsContact CG1-O 3.3Å; V41-F47 WeakPolarHBondContact CG1-O 3.41Å; V41-V49 HydrophobicContact CB-CG2 4.44Å; V41-V49 HydrophobicContact CG1-CG2 3.8Å; V41-M76 HydrophobicContact CG1-CE 4.37Å; V41-M76 HydrophobicContact CG1-CG 4.16Å; V41-M76 HydrophobicContact CG1-SD 4.48Å; V41-M76 HydrophobicContact CG2-CE 3.52Å; V41-M76 HydrophobicContact CG2-SD 3.89Å; V41-Y89 HydrophobicContact CG2-CD2 3.69Å; V41-Y89 HydrophobicContact CG2-CE2 3.96Å; V41-Y89 HydrophobicContact CG2-CG 4.09Å
42	S	85.5	Confident	85.9	Confident	39 Å²	39	70.6 Å²	70.6	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-25.6	176.5	-59.4	0	0	0	0	113.3	G38 E39 I40 D44 V49	G38-S42 WeakPolarHBondContact O-CB 3.17Å; G38-S42 PolarHBondContact O-N 3.21Å; G38-S42 PolarHBondContact O-OG 3.25Å; E39-S42 PolarHBondContact O-N 2.68Å; I40-S42 PolarHBondContact O-N 3.18Å; S42-D44 VanDerWaalsContact C-N 3.32Å; S42-V49 WeakPolarHBondContact OG-CB 3.42Å; S42-V49 PolarHBondContact OG-O 2.87Å; S42-V49 VanDerWaalsContact OG-O 3.04Å
43	S	84.4	Confident	86.1	Confident	105 Å²	105	67.3 Å²	67.3	73%	0.734	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17	176.6	-56.3	0	0	0	0	112.8	E39 I40 V41	E39-S43 PolarHBondContact O-N 3.39Å; E39-S43 PolarHBondContact O-OG 3.29Å; I40-S43 WeakPolarHBondContact O-CB 3.36Å; I40-S43 PolarHBondContact O-N 3.24Å; V41-S43 PolarHBondContact O-N 2.86Å
44	D	82.6	Confident	86.2	Confident	29 Å²	29	68.3 Å²	68.3	16%	0.155	33%	0.33	C	S	.	.	S	Bend	trans	-82.4	126.5	174	-164	-42.3	0	0	0	110.5	V41 S42 R46 F47 K48 Y89	V41-D44 WeakPolarHBondContact O-CB 3.36Å; V41-D44 PolarHBondContact O-N 2.95Å; S42-D44 VanDerWaalsContact C-N 3.32Å; D44-R46 PolarHBondContact O-N 3.06Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 2.94Å; D44-R46 PolarHBondContact OD1-N 3.42Å; D44-R46 IonicContact OD1-NE 2.68Å; D44-R46 PolarHBondContact OD1-NE 2.94Å; D44-R46 VanDerWaalsContact OD1-NE 3.16Å; D44-R46 IonicContact OD1-NH2 3.52Å; D44-R46 IonicContact OD2-CZ 3.76Å; D44-R46 IonicContact OD2-NE 3.74Å; D44-R46 IonicContact OD2-NH2 2.61Å; D44-R46 PolarHBondContact OD2-NH2 3.35Å; D44-F47 PolarHBondContact O-N 3.12Å; D44-K48 PolarHBondContact O-N 2.87Å; D44-Y89 HydrophobicContact CB-CE1 4.26Å; D44-Y89 WeakPolarHBondContact CB-OH 3.45Å; D44-Y89 PolarHBondContact OD2-OH 3.39Å
45	R	79.5	Confident	86.1	Confident	228 Å²	228	72.5 Å²	72.5	86%	0.86	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.9	-179.2	-65.4	-175.1	179.1	-170.7	0	113.2
46	R	79.1	Confident	86	Confident	157 Å²	157	69.8 Å²	69.8	59%	0.592	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-30.5	-176.4	-64.6	173.4	-69	176.1	2.5	113.6	D44 H85	D44-R46 PolarHBondContact O-N 3.06Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 2.94Å; D44-R46 PolarHBondContact OD1-N 3.42Å; D44-R46 IonicContact OD1-NE 2.68Å; D44-R46 PolarHBondContact OD1-NE 2.94Å; D44-R46 VanDerWaalsContact OD1-NE 3.16Å; D44-R46 IonicContact OD1-NH2 3.52Å; D44-R46 IonicContact OD2-CZ 3.76Å; D44-R46 IonicContact OD2-NE 3.74Å; D44-R46 IonicContact OD2-NH2 2.61Å; D44-R46 PolarHBondContact OD2-NH2 3.35Å; R46-H85 PolarHBondContact NH1-NE2 3.49Å
47	F	80.7	Confident	86	Confident	19 Å²	19	65 Å²	65	8%	0.083	33%	0.325	C	S	.	.	S	Bend	trans	-131.8	35.7	-170.1	-52.5	-69.9	0	0	0	112.4	V41 D44 V49 R79 C81 H85 Y89	V41-F47 HydrophobicContact CG1-CB 4.09Å; V41-F47 VanDerWaalsContact CG1-O 3.3Å; V41-F47 WeakPolarHBondContact CG1-O 3.41Å; D44-F47 PolarHBondContact O-N 3.12Å; F47-V49 PolarHBondContact O-N 3.42Å; F47-R79 HydrophobicContact CD1-CB 4.17Å; F47-R79 VanDerWaalsContact CD1-O 3.27Å; F47-R79 WeakPolarHBondContact CD1-O 3.45Å; F47-R79 VanDerWaalsContact CE1-O 3.22Å; F47-R79 WeakPolarHBondContact CE1-O 3.33Å; F47-C81 HydrophobicContact CD1-CB 4.05Å; F47-C81 HydrophobicContact CE1-CB 4.1Å; F47-C81 HydrophobicContact CG-CB 4.34Å; F47-C81 HydrophobicContact CZ-CB 4.43Å; F47-H85 HydrophobicContact CE2-CB 4.44Å; F47-H85 AromaticContact CE2-CD2 3.83Å; F47-H85 AromaticContact CE2-CG 3.86Å; F47-H85 AromaticContact CE2-ND1 3.98Å; F47-H85 AromaticContact CE2-NE2 3.94Å; F47-H85 AromaticContact CZ-CE1 3.86Å; F47-H85 AromaticContact CZ-ND1 3.9Å; F47-Y89 WeakPolarHBondContact CD2-OH 3.4Å
48	K	77.9	Confident	85.9	Confident	138 Å²	138	66.4 Å²	66.4	60%	0.6	34%	0.335	S	S	*	.			trans	-47	131.1	-177.7	-71.6	-173.1	176.2	-175.4	0	111.7	D44 R79	D44-K48 PolarHBondContact O-N 2.87Å; K48-R79 PolarHBondContact O-NH1 3.41Å
49	V	84.1	Confident	85.9	Confident	10 Å²	10	71 Å²	71	6%	0.061	36%	0.358	C	S	.	.			trans	-108.1	125.8	170.5	-177.5	0	0	0	0	107.4	V41 S42 F47 D53 M54 L72	V41-V49 HydrophobicContact CB-CG2 4.44Å; V41-V49 HydrophobicContact CG1-CG2 3.8Å; S42-V49 WeakPolarHBondContact OG-CB 3.42Å; S42-V49 PolarHBondContact OG-O 2.87Å; S42-V49 VanDerWaalsContact OG-O 3.04Å; F47-V49 PolarHBondContact O-N 3.42Å; V49-D53 HydrophobicContact CG1-CB 3.48Å; V49-D53 VanDerWaalsContact CG1-CB 3.48Å; V49-M54 HydrophobicContact CG1-CG 3.88Å; V49-M54 HydrophobicContact CG1-SD 3.76Å; V49-L72 HydrophobicContact CG1-CD1 4.25Å; V49-L72 HydrophobicContact CG2-CD1 4.28Å
50	S	85.8	Confident	85.9	Confident	50 Å²	50	70.4 Å²	70.4	35%	0.35	35%	0.353	S	S	.	.			trans	-77.5	167.4	-178.6	73.2	0	0	0	0	111	D52 D53 M54	S50-D52 PolarHBondContact O-N 3.25Å; S50-D52 PolarHBondContact OG-N 3.44Å; S50-D53 PolarHBondContact N-OD2 3.44Å; S50-D53 PolarHBondContact O-N 2.99Å; S50-D53 PolarHBondContact OG-N 3.39Å; S50-D53 PolarHBondContact OG-OD2 3.32Å; S50-M54 WeakPolarHBondContact O-CG 3.2Å; S50-M54 PolarHBondContact O-N 3.04Å
51	S	85.4	Confident	85.7	Confident	94 Å²	94	73.8 Å²	73.8	66%	0.657	38%	0.375	S	S	*	.	H	α-helix	trans	-60.1	-39.4	171.1	-167.5	0	0	0	0	111.2	D53 M54 E55	S51-D53 PolarHBondContact O-N 3.39Å; S51-M54 WeakPolarHBondContact O-CB 3.46Å; S51-M54 PolarHBondContact O-N 3.35Å; S51-E55 PolarHBondContact O-N 2.94Å
52	D	87.4	Confident	85.5	Confident	116 Å²	116	80.5 Å²	80.5	62%	0.62	41%	0.41	S	S	*	.	H	α-helix	trans	-65.4	-38	179.2	-53.8	-14.7	0	0	0	111.7	S50 M54 E55 M56	S50-D52 PolarHBondContact O-N 3.25Å; S50-D52 PolarHBondContact OG-N 3.44Å; D52-M54 VanDerWaalsContact C-N 3.34Å; D52-M54 PolarHBondContact O-N 2.85Å; D52-E55 PolarHBondContact O-N 2.83Å; D52-M56 WeakPolarHBondContact O-CB 3.09Å; D52-M56 PolarHBondContact O-N 3.25Å
53	D	89.1	Confident	85.4	Confident	22 Å²	22	83.2 Å²	83.2	12%	0.118	42%	0.418	C	S	.	.	H	α-helix	trans	-62.6	-42.2	174.3	-67.6	-29.6	0	0	0	111	V49 S50 S51 E55 M56 C57 L75 R79	V49-D53 HydrophobicContact CG1-CB 3.48Å; V49-D53 VanDerWaalsContact CG1-CB 3.48Å; S50-D53 PolarHBondContact N-OD2 3.44Å; S50-D53 PolarHBondContact O-N 2.99Å; S50-D53 PolarHBondContact OG-N 3.39Å; S50-D53 PolarHBondContact OG-OD2 3.32Å; S51-D53 PolarHBondContact O-N 3.39Å; D53-E55 VanDerWaalsContact C-N 3.35Å; D53-M56 PolarHBondContact O-N 2.94Å; D53-C57 PolarHBondContact O-N 3.47Å; D53-C57 PolarHBondContact O-SG 2.92Å; D53-L75 HydrophobicContact CB-CD1 4.15Å; D53-R79 IonicContact OD1-NH2 3.26Å; D53-R79 IonicContact OD2-CZ 3.54Å; D53-R79 VanDerWaalsContact OD2-CZ 3.22Å; D53-R79 IonicContact OD2-NH1 2.77Å; D53-R79 PolarHBondContact OD2-NH1 3.33Å; D53-R79 IonicContact OD2-NH2 3.5Å; D53-R79 PolarHBondContact OD2-NH2 3.17Å
54	M	89.5	Confident	85	Confident	27 Å²	27	85.6 Å²	85.6	13%	0.133	43%	0.428	C	S	.	.	H	α-helix	trans	-67.2	-37.2	179.4	-70	-63	-70.3	0	0	111.9	W34 R35 V49 S50 S51 D52 C57 S58 L72	W34-M54 HydrophobicContact CE3-CE 4.34Å; W34-M54 HydrophobicContact CZ3-CE 3.85Å; W34-M54 HydrophobicContact CZ3-SD 4.45Å; R35-M54 HydrophobicContact CB-CE 4.47Å; R35-M54 HydrophobicContact CG-CE 4.03Å; R35-M54 WeakPolarHBondContact O-CE 3.38Å; V49-M54 HydrophobicContact CG1-CG 3.88Å; V49-M54 HydrophobicContact CG1-SD 3.76Å; S50-M54 WeakPolarHBondContact O-CG 3.2Å; S50-M54 PolarHBondContact O-N 3.04Å; S51-M54 WeakPolarHBondContact O-CB 3.46Å; S51-M54 PolarHBondContact O-N 3.35Å; D52-M54 VanDerWaalsContact C-N 3.34Å; D52-M54 PolarHBondContact O-N 2.85Å; M54-C57 PolarHBondContact O-N 2.96Å; M54-S58 PolarHBondContact O-N 2.99Å; M54-S58 VanDerWaalsContact O-N 3.09Å; M54-L72 HydrophobicContact SD-CD1 4.24Å
55	E	88.8	Confident	84.6	Confident	119 Å²	119	93.2 Å²	93.2	56%	0.556	46%	0.462	S	S	*	.	H	α-helix	trans	-65.8	-45.3	173.5	-169.8	165.9	-167.9	0	0	110.8	S51 D52 D53 C57 S58 L59	S51-E55 PolarHBondContact O-N 2.94Å; D52-E55 PolarHBondContact O-N 2.83Å; D53-E55 VanDerWaalsContact C-N 3.35Å; E55-C57 VanDerWaalsContact C-N 3.32Å; E55-C57 PolarHBondContact O-N 3.11Å; E55-S58 WeakPolarHBondContact O-CB 3.38Å; E55-S58 PolarHBondContact O-N 3.49Å; E55-S58 PolarHBondContact O-OG 3.48Å; E55-L59 WeakPolarHBondContact O-CG 3.48Å; E55-L59 PolarHBondContact O-N 3.45Å; E55-L59 VanDerWaalsContact O-N 3.07Å
56	M	88.4	Confident	84.8	Confident	92 Å²	92	83.4 Å²	83.4	45%	0.453	43%	0.433	S	S	.	.	H	α-helix	trans	-58.5	-41.4	174.8	-171.4	-171.5	-60.2	0	0	112.8	D52 D53 S58 L59	D52-M56 WeakPolarHBondContact O-CB 3.09Å; D52-M56 PolarHBondContact O-N 3.25Å; D53-M56 PolarHBondContact O-N 2.94Å; M56-S58 VanDerWaalsContact C-N 3.33Å; M56-L59 PolarHBondContact O-N 2.96Å
57	C	89.4	Confident	85.3	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-61	-43.8	173.7	-64.8	0	0	0	0	111.1	W34 D53 M54 E55 L59 R60 P68 M71 L75	W34-C57 HydrophobicContact CE3-CB 4.22Å; W34-C57 HydrophobicContact CH2-CB 4.05Å; W34-C57 HydrophobicContact CZ3-CB 3.54Å; D53-C57 PolarHBondContact O-N 3.47Å; D53-C57 PolarHBondContact O-SG 2.92Å; M54-C57 PolarHBondContact O-N 2.96Å; E55-C57 VanDerWaalsContact C-N 3.32Å; E55-C57 PolarHBondContact O-N 3.11Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 3.02Å; C57-R60 WeakPolarHBondContact O-CB 3.47Å; C57-R60 PolarHBondContact O-N 2.97Å; C57-P68 VanDerWaalsContact O-CA 3.29Å; C57-P68 WeakPolarHBondContact O-CA 2.98Å; C57-P68 VanDerWaalsContact O-CB 3.31Å; C57-P68 WeakPolarHBondContact O-CB 3.49Å; C57-M71 HydrophobicContact CB-CB 4.42Å; C57-M71 HydrophobicContact CB-CG 4.44Å; C57-L75 VanDerWaalsContact SG-CD1 3.59Å
58	S	88.8	Confident	85.8	Confident	29 Å²	29	76.5 Å²	76.5	20%	0.203	41%	0.41	C	S	.	.	H	α-helix	trans	-63.5	-36.2	-178.1	76.7	0	0	0	0	113.3	M54 E55 M56 R60 V61	M54-S58 PolarHBondContact O-N 2.99Å; M54-S58 VanDerWaalsContact O-N 3.09Å; E55-S58 WeakPolarHBondContact O-CB 3.38Å; E55-S58 PolarHBondContact O-N 3.49Å; E55-S58 PolarHBondContact O-OG 3.48Å; M56-S58 VanDerWaalsContact C-N 3.33Å; S58-R60 PolarHBondContact O-N 3.35Å; S58-R60 VanDerWaalsContact O-N 3.16Å; S58-V61 VanDerWaalsContact O-CG1 3.25Å; S58-V61 WeakPolarHBondContact O-CG1 3.26Å; S58-V61 PolarHBondContact O-N 3.23Å
59	L	89.1	Confident	86.5	Confident	96 Å²	96	70 Å²	70	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-19.2	-179.4	-68.2	174.6	0	0	0	113	E55 M56 C57 V61 L62	E55-L59 WeakPolarHBondContact O-CG 3.48Å; E55-L59 PolarHBondContact O-N 3.45Å; E55-L59 VanDerWaalsContact O-N 3.07Å; M56-L59 PolarHBondContact O-N 2.96Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 3.02Å; L59-V61 PolarHBondContact O-N 3.42Å; L59-L62 HydrophobicContact CD2-CD1 4.02Å; L59-L62 VanDerWaalsContact O-CB 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 WeakPolarHBondContact O-CG 3.47Å; L59-L62 PolarHBondContact O-N 3.44Å
60	R	88.3	Confident	86.8	Confident	75 Å²	75	72 Å²	72	28%	0.283	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-63.6	-20.1	176.4	-63.8	-62.3	176.7	171.8	-0.9	113.4	C57 S58 L62 E63 G66 M71	C57-R60 WeakPolarHBondContact O-CB 3.47Å; C57-R60 PolarHBondContact O-N 2.97Å; S58-R60 PolarHBondContact O-N 3.35Å; S58-R60 VanDerWaalsContact O-N 3.16Å; R60-L62 PolarHBondContact O-N 3.28Å; R60-L62 VanDerWaalsContact O-N 3.15Å; R60-E63 WeakPolarHBondContact CD-OE2 3.2Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 VanDerWaalsContact NH1-CD 3.34Å; R60-E63 IonicContact NH1-OE1 3.32Å; R60-E63 PolarHBondContact NH1-OE1 2.97Å; R60-E63 IonicContact NH1-OE2 2.86Å; R60-E63 PolarHBondContact NH1-OE2 3.4Å; R60-E63 PolarHBondContact O-N 3.48Å; R60-E63 VanDerWaalsContact O-N 3.13Å; R60-G66 CarbonylContact O-C 3.58Å; R60-G66 WeakPolarHBondContact O-CA 3.19Å; R60-M71 HydrophobicContact CG-CB 4.03Å; R60-M71 HydrophobicContact CG-CE 4.37Å; R60-M71 HydrophobicContact CG-CG 4.4Å
61	V	86.1	Confident	87.1	Confident	104 Å²	104	70.8 Å²	70.8	63%	0.63	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-62.7	-18.9	172.9	80	0	0	0	0	113.2	S58 L59 E63 P68	S58-V61 VanDerWaalsContact O-CG1 3.25Å; S58-V61 WeakPolarHBondContact O-CG1 3.26Å; S58-V61 PolarHBondContact O-N 3.23Å; L59-V61 PolarHBondContact O-N 3.42Å; V61-E63 VanDerWaalsContact C-N 3.3Å; V61-P68 HydrophobicContact CB-CG 4.3Å
62	L	84.9	Confident	87.4	Confident	141 Å²	141	66.3 Å²	66.3	74%	0.738	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-80.2	-11.9	178.9	-57.2	176.5	0	0	0	112.8	L59 R60	L59-L62 HydrophobicContact CD2-CD1 4.02Å; L59-L62 VanDerWaalsContact O-CB 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 WeakPolarHBondContact O-CG 3.47Å; L59-L62 PolarHBondContact O-N 3.44Å; R60-L62 PolarHBondContact O-N 3.28Å; R60-L62 VanDerWaalsContact O-N 3.15Å
63	E	84.1	Confident	87.5	Confident	97 Å²	97	61 Å²	61	45%	0.453	32%	0.322	S	S	.	.	S	Bend	trans	-91.2	140.1	175.7	-64	171.2	-177.1	0	0	109.8	R60 V61 E65 G66	R60-E63 WeakPolarHBondContact CD-OE2 3.2Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 VanDerWaalsContact NH1-CD 3.34Å; R60-E63 IonicContact NH1-OE1 3.32Å; R60-E63 PolarHBondContact NH1-OE1 2.97Å; R60-E63 IonicContact NH1-OE2 2.86Å; R60-E63 PolarHBondContact NH1-OE2 3.4Å; R60-E63 PolarHBondContact O-N 3.48Å; R60-E63 VanDerWaalsContact O-N 3.13Å; V61-E63 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 3.08Å; E63-E65 VanDerWaalsContact O-N 3.09Å; E63-G66 PolarHBondContact O-N 2.96Å
64	V	76.1	Confident	87.6	Confident	154 Å²	154	66.3 Å²	66.3	93%	0.933	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.6	-175.6	179.4	0	0	0	0	113.1
65	E	74.9	Confident	87.6	Confident	189 Å²	189	65.8 Å²	65.8	88%	0.883	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	13.7	175.9	-60.1	-167.6	161	0	0	112.9	E63	E63-E65 PolarHBondContact O-N 3.08Å; E63-E65 VanDerWaalsContact O-N 3.09Å
66	G	82.8	Confident	87.7	Confident	23 Å²	23	60.2 Å²	60.2	24%	0.237	31%	0.312	C	S	.	.			trans	-78.8	137.9	-175.3	0	0	0	0	0	112.6	R60 E63	R60-G66 CarbonylContact O-C 3.58Å; R60-G66 WeakPolarHBondContact O-CA 3.19Å; E63-G66 PolarHBondContact O-N 2.96Å
67	S	90.1	Very high	87.7	Confident	19 Å²	19	56 Å²	56	13%	0.133	29%	0.292	C	S	.	.			trans	-123.4	119	179.1	163.4	0	0	0	0	110.2	D27 S69 L70 M71	D27-S67 WeakPolarHBondContact OD2-CB 3.09Å; D27-S67 PolarHBondContact OD2-OG 2.83Å; S67-S69 PolarHBondContact OG-OG 3.13Å; S67-L70 PolarHBondContact O-N 3.22Å; S67-L70 WeakPolarHBondContact OG-CB 3.4Å; S67-L70 PolarHBondContact OG-N 3.37Å; S67-L70 VanDerWaalsContact OG-N 3.08Å; S67-M71 PolarHBondContact O-N 3.45Å
68	P	91.3	Very high	87.6	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.071	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-41.6	175.6	-26.9	36.2	0	0	0	113.4	W34 C57 V61 M71 L72	W34-P68 HydrophobicContact CD2-CB 3.64Å; W34-P68 HydrophobicContact CE3-CB 4.13Å; W34-P68 HydrophobicContact CG-CB 4.11Å; W34-P68 HydrophobicContact CH2-CB 4.12Å; W34-P68 HydrophobicContact CZ2-CB 3.61Å; W34-P68 HydrophobicContact CZ2-CG 4.33Å; W34-P68 HydrophobicContact CZ3-CB 4.36Å; C57-P68 VanDerWaalsContact O-CA 3.29Å; C57-P68 WeakPolarHBondContact O-CA 2.98Å; C57-P68 VanDerWaalsContact O-CB 3.31Å; C57-P68 WeakPolarHBondContact O-CB 3.49Å; V61-P68 HydrophobicContact CB-CG 4.3Å; P68-M71 PolarHBondContact O-N 3.03Å; P68-L72 PolarHBondContact O-N 3.5Å
69	S	92.1	Very high	87.5	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.007	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-37.6	174.4	56.1	0	0	0	0	113.1	C23 D27 S67 M71 L72 L73	C23-S69 WeakPolarHBondContact CA-OG 3.23Å; C23-S69 WeakPolarHBondContact CB-OG 3.29Å; C23-S69 PolarHBondContact O-OG 3.1Å; D27-S69 WeakPolarHBondContact OD1-CB 3.3Å; D27-S69 PolarHBondContact OD1-N 3.48Å; D27-S69 PolarHBondContact OD1-OG 3.09Å; D27-S69 PolarHBondContact OD2-OG 3Å; S67-S69 PolarHBondContact OG-OG 3.13Å; S69-M71 VanDerWaalsContact C-N 3.34Å; S69-M71 PolarHBondContact O-N 3.31Å; S69-L72 PolarHBondContact O-N 2.87Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 VanDerWaalsContact O-CG 3.26Å; S69-L73 WeakPolarHBondContact O-CG 3.04Å; S69-L73 PolarHBondContact O-N 3.18Å
70	L	91.4	Very high	87.4	Confident	52 Å²	52	62.7 Å²	62.7	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-43.8	176.4	-179.3	62.6	0	0	0	111.4	V19 C23 S67 L73 R74	V19-L70 HydrophobicContact CG1-CD1 3.46Å; V19-L70 VanDerWaalsContact CG1-CD1 3.46Å; C23-L70 VanDerWaalsContact SG-CA 3.55Å; S67-L70 PolarHBondContact O-N 3.22Å; S67-L70 WeakPolarHBondContact OG-CB 3.4Å; S67-L70 PolarHBondContact OG-N 3.37Å; S67-L70 VanDerWaalsContact OG-N 3.08Å; L70-L73 PolarHBondContact O-N 3.2Å; L70-R74 WeakPolarHBondContact O-CG 3.43Å; L70-R74 PolarHBondContact O-N 3.32Å
71	M	90.4	Very high	87.5	Confident	25 Å²	25	59.1 Å²	59.1	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-43.9	176.8	-176.9	54.7	81.2	0	0	111.4	C57 R60 S67 P68 S69 L73 R74 L75	C57-M71 HydrophobicContact CB-CB 4.42Å; C57-M71 HydrophobicContact CB-CG 4.44Å; R60-M71 HydrophobicContact CG-CB 4.03Å; R60-M71 HydrophobicContact CG-CE 4.37Å; R60-M71 HydrophobicContact CG-CG 4.4Å; S67-M71 PolarHBondContact O-N 3.45Å; P68-M71 PolarHBondContact O-N 3.03Å; S69-M71 VanDerWaalsContact C-N 3.34Å; S69-M71 PolarHBondContact O-N 3.31Å; M71-L73 PolarHBondContact O-N 3.29Å; M71-R74 PolarHBondContact O-N 2.93Å; M71-L75 HydrophobicContact CG-CD1 4.31Å; M71-L75 WeakPolarHBondContact O-CG 3.26Å; M71-L75 PolarHBondContact O-N 2.56Å; M71-L75 HydrophobicContact SD-CG 4.4Å
72	L	91.5	Very high	87.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.2	-179.9	63.5	0	0	0	111.7	W34 L37 V49 M54 P68 S69 R74 L75 M76	W34-L72 HydrophobicContact CB-CD2 4.4Å; W34-L72 HydrophobicContact CE3-CD2 4.25Å; W34-L72 WeakPolarHBondContact O-CD2 3.44Å; L37-L72 HydrophobicContact CB-CD2 4.37Å; L37-L72 HydrophobicContact CD2-CD2 4.4Å; L37-L72 HydrophobicContact CG-CD2 4.37Å; V49-L72 HydrophobicContact CG1-CD1 4.25Å; V49-L72 HydrophobicContact CG2-CD1 4.28Å; M54-L72 HydrophobicContact SD-CD1 4.24Å; P68-L72 PolarHBondContact O-N 3.5Å; S69-L72 PolarHBondContact O-N 2.87Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 2.72Å; L72-L75 PolarHBondContact O-N 3.08Å; L72-M76 HydrophobicContact CD1-CG 4.45Å; L72-M76 HydrophobicContact CD1-SD 4.41Å; L72-M76 HydrophobicContact CG-SD 4.02Å; L72-M76 WeakPolarHBondContact O-CB 3.43Å; L72-M76 WeakPolarHBondContact O-CG 3.42Å; L72-M76 PolarHBondContact O-N 3.25Å
73	L	91.4	Very high	87.6	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-37.4	178	-71.9	172.7	0	0	0	112.3	I11 V19 L22 S69 L70 M71 M76 G77 L86	I11-L73 HydrophobicContact CG2-CB 4.45Å; I11-L73 HydrophobicContact CG2-CD2 4.41Å; V19-L73 HydrophobicContact CG1-CD1 4.4Å; L22-L73 HydrophobicContact CB-CD1 4.32Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 VanDerWaalsContact O-CG 3.26Å; S69-L73 WeakPolarHBondContact O-CG 3.04Å; S69-L73 PolarHBondContact O-N 3.18Å; L70-L73 PolarHBondContact O-N 3.2Å; M71-L73 PolarHBondContact O-N 3.29Å; L73-M76 HydrophobicContact CD2-SD 4.42Å; L73-G77 PolarHBondContact O-N 2.98Å; L73-L86 HydrophobicContact CD2-CD1 3.84Å; L73-L86 HydrophobicContact CD2-CD2 4.06Å
74	R	89.4	Confident	87.7	Confident	133 Å²	133	45.2 Å²	45.2	50%	0.502	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-49.4	173.2	-77.3	-179.5	-180	178.9	1.9	111.6	L70 M71 L72 M76 G77 E78	L70-R74 WeakPolarHBondContact O-CG 3.43Å; L70-R74 PolarHBondContact O-N 3.32Å; M71-R74 PolarHBondContact O-N 2.93Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 2.72Å; R74-M76 VanDerWaalsContact C-N 3.31Å; R74-M76 PolarHBondContact O-N 2.88Å; R74-G77 PolarHBondContact O-N 3.34Å; R74-G77 VanDerWaalsContact O-N 3.11Å; R74-E78 WeakPolarHBondContact O-CG 3.43Å; R74-E78 PolarHBondContact O-N 2.95Å
75	L	89.9	Confident	88.3	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-43.6	177.1	-72.2	171.5	0	0	0	111.6	D53 C57 M71 L72 G77 E78 R79	D53-L75 HydrophobicContact CB-CD1 4.15Å; C57-L75 VanDerWaalsContact SG-CD1 3.59Å; M71-L75 HydrophobicContact CG-CD1 4.31Å; M71-L75 WeakPolarHBondContact O-CG 3.26Å; M71-L75 PolarHBondContact O-N 2.56Å; M71-L75 HydrophobicContact SD-CG 4.4Å; L72-L75 PolarHBondContact O-N 3.08Å; L75-G77 PolarHBondContact O-N 2.81Å; L75-E78 PolarHBondContact O-N 3.38Å; L75-R79 WeakPolarHBondContact O-CG 3.37Å; L75-R79 PolarHBondContact O-N 3.44Å; L75-R79 VanDerWaalsContact O-N 3.09Å
76	M	91.1	Very high	89	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-45.3	174.7	-71.5	171.8	67	0	0	111.5	I11 V41 L72 L73 R74 R79 G80 C81 L86 Y89	I11-M76 HydrophobicContact CD1-CB 4.24Å; I11-M76 HydrophobicContact CD1-CE 4.21Å; V41-M76 HydrophobicContact CG1-CE 4.37Å; V41-M76 HydrophobicContact CG1-CG 4.16Å; V41-M76 HydrophobicContact CG1-SD 4.48Å; V41-M76 HydrophobicContact CG2-CE 3.52Å; V41-M76 HydrophobicContact CG2-SD 3.89Å; L72-M76 HydrophobicContact CD1-CG 4.45Å; L72-M76 HydrophobicContact CD1-SD 4.41Å; L72-M76 HydrophobicContact CG-SD 4.02Å; L72-M76 WeakPolarHBondContact O-CB 3.43Å; L72-M76 WeakPolarHBondContact O-CG 3.42Å; L72-M76 PolarHBondContact O-N 3.25Å; L73-M76 HydrophobicContact CD2-SD 4.42Å; R74-M76 VanDerWaalsContact C-N 3.31Å; R74-M76 PolarHBondContact O-N 2.88Å; M76-R79 CarbonylContact O-C 3.59Å; M76-R79 PolarHBondContact O-N 3.37Å; M76-G80 PolarHBondContact O-N 3.49Å; M76-C81 HydrophobicContact CB-CB 4Å; M76-C81 WeakPolarHBondContact O-CB 3.45Å; M76-C81 PolarHBondContact O-N 2.7Å; M76-L86 HydrophobicContact CE-CD1 3.91Å; M76-Y89 HydrophobicContact CE-CD2 3.98Å; M76-Y89 HydrophobicContact CE-CE2 4.33Å
77	G	87.8	Confident	89.3	Confident	4 Å²	4	31 Å²	31	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-68.4	-37.4	179.3	0	0	0	0	0	113.8	N12 L73 R74 L75 R79 G80	N12-G77 PolarHBondContact ND2-O 2.9Å; N12-G77 WeakPolarHBondContact OD1-CA 3.27Å; L73-G77 PolarHBondContact O-N 2.98Å; R74-G77 PolarHBondContact O-N 3.34Å; R74-G77 VanDerWaalsContact O-N 3.11Å; L75-G77 PolarHBondContact O-N 2.81Å; G77-R79 VanDerWaalsContact C-N 3.25Å; G77-R79 PolarHBondContact O-N 3.14Å; G77-G80 WeakPolarHBondContact O-CA 3.39Å; G77-G80 PolarHBondContact O-N 3Å
78	E	87.8	Confident	89.3	Confident	142 Å²	142	33.1 Å²	33.1	66%	0.664	16%	0.164	S	C	*	.	H	α-helix	trans	-60.4	-36.9	172.2	-76.1	175.5	-177.4	0	0	111.6	N12 R74 L75 G80	N12-E78 PolarHBondContact ND2-N 2.99Å; R74-E78 WeakPolarHBondContact O-CG 3.43Å; R74-E78 PolarHBondContact O-N 2.95Å; L75-E78 PolarHBondContact O-N 3.38Å; E78-G80 PolarHBondContact O-N 2.93Å
79	R	88.1	Confident	89.3	Confident	95 Å²	95	33.4 Å²	33.4	36%	0.358	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	6.6	173.9	-67	-178.3	176.7	147.8	9.5	113.6	F47 K48 D53 L75 M76 G77	F47-R79 HydrophobicContact CD1-CB 4.17Å; F47-R79 VanDerWaalsContact CD1-O 3.27Å; F47-R79 WeakPolarHBondContact CD1-O 3.45Å; F47-R79 VanDerWaalsContact CE1-O 3.22Å; F47-R79 WeakPolarHBondContact CE1-O 3.33Å; K48-R79 PolarHBondContact O-NH1 3.41Å; D53-R79 IonicContact OD1-NH2 3.26Å; D53-R79 IonicContact OD2-CZ 3.54Å; D53-R79 VanDerWaalsContact OD2-CZ 3.22Å; D53-R79 IonicContact OD2-NH1 2.77Å; D53-R79 PolarHBondContact OD2-NH1 3.33Å; D53-R79 IonicContact OD2-NH2 3.5Å; D53-R79 PolarHBondContact OD2-NH2 3.17Å; L75-R79 WeakPolarHBondContact O-CG 3.37Å; L75-R79 PolarHBondContact O-N 3.44Å; L75-R79 VanDerWaalsContact O-N 3.09Å; M76-R79 CarbonylContact O-C 3.59Å; M76-R79 PolarHBondContact O-N 3.37Å; G77-R79 VanDerWaalsContact C-N 3.25Å; G77-R79 PolarHBondContact O-N 3.14Å
80	G	85.7	Confident	89.2	Confident	28 Å²	28	33.4 Å²	33.4	29%	0.289	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	15.4	174.4	0	0	0	0	0	114.5	M76 G77 E78 T82	M76-G80 PolarHBondContact O-N 3.49Å; G77-G80 WeakPolarHBondContact O-CA 3.39Å; G77-G80 PolarHBondContact O-N 3Å; E78-G80 PolarHBondContact O-N 2.93Å; G80-T82 PolarHBondContact O-N 3.23Å
81	C	90	Very high	89.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.			trans	-63.3	136	176.1	-165.1	0	0	0	0	110.1	I11 F47 M76 H85	I11-C81 HydrophobicContact CD1-CB 3.65Å; I11-C81 VanDerWaalsContact CD1-SG 3.54Å; I11-C81 WeakPolarHBondContact CG1-O 3.32Å; I11-C81 PolarHBondContact N-O 2.95Å; I11-C81 VanDerWaalsContact N-O 3.08Å; F47-C81 HydrophobicContact CD1-CB 4.05Å; F47-C81 HydrophobicContact CE1-CB 4.1Å; F47-C81 HydrophobicContact CG-CB 4.34Å; F47-C81 HydrophobicContact CZ-CB 4.43Å; M76-C81 HydrophobicContact CB-CB 4Å; M76-C81 WeakPolarHBondContact O-CB 3.45Å; M76-C81 PolarHBondContact O-N 2.7Å; C81-H85 WeakPolarHBondContact SG-CB 3.28Å
82	T	89.8	Confident	89	Confident	24 Å²	24	40.1 Å²	40.1	15%	0.147	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-106.1	166.8	-177.3	71.8	0	0	0	0	111.1	R7 T9 G80 G84 H85 L86	R7-T82 WeakPolarHBondContact O-CB 3.47Å; R7-T82 PolarHBondContact O-OG1 3.03Å; T9-T82 CarbonylContact O-C 3.12Å; T9-T82 VanDerWaalsContact O-CA 3.28Å; T9-T82 WeakPolarHBondContact O-CA 3.25Å; T9-T82 WeakPolarHBondContact O-CB 3.36Å; G80-T82 PolarHBondContact O-N 3.23Å; T82-G84 PolarHBondContact O-N 3.21Å; T82-H85 PolarHBondContact N-ND1 2.91Å; T82-H85 WeakPolarHBondContact O-CB 3.36Å; T82-H85 PolarHBondContact O-N 2.76Å; T82-H85 VanDerWaalsContact O-N 3.1Å; T82-H85 PolarHBondContact OG1-ND1 3.46Å; T82-L86 PolarHBondContact O-N 3.3Å
83	M	84.9	Confident	88.9	Confident	21 Å²	21	40.7 Å²	40.7	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-53.5	-39	174.3	-84.2	-67.4	-78.5	0	0	113.3	E6 T9 L14 T87 L102	E6-M83 WeakPolarHBondContact O-CB 3.36Å; T9-M83 HydrophobicContact CG2-CG 4.47Å; T9-M83 PolarHBondContact O-N 3.11Å; L14-M83 HydrophobicContact CD1-SD 3.51Å; L14-M83 VanDerWaalsContact CD1-SD 3.51Å; L14-M83 HydrophobicContact CD2-CE 3.59Å; L14-M83 HydrophobicContact CD2-CG 3.84Å; L14-M83 HydrophobicContact CD2-SD 3.15Å; L14-M83 WeakPolarHBondContact CD2-SD 3.43Å; L14-M83 HydrophobicContact CG-CG 4.27Å; L14-M83 HydrophobicContact CG-SD 3.65Å; M83-T87 WeakPolarHBondContact O-CB 3.17Å; M83-T87 PolarHBondContact O-N 3.02Å; M83-T87 PolarHBondContact O-OG1 3.33Å; M83-L102 HydrophobicContact CE-CB 3.96Å; M83-L102 HydrophobicContact CE-CD2 3.69Å; M83-L102 HydrophobicContact CE-CG 4.29Å; M83-L102 HydrophobicContact SD-CD2 3.77Å
84	G	85.1	Confident	88.7	Confident	5 Å²	5	42.2 Å²	42.2	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-50.4	173.9	0	0	0	0	0	112	R7 T82 L86 T87 D88	R7-G84 PolarHBondContact O-N 2.96Å; T82-G84 PolarHBondContact O-N 3.21Å; G84-L86 PolarHBondContact O-N 3.48Å; G84-T87 WeakPolarHBondContact O-CB 3.28Å; G84-T87 PolarHBondContact O-N 3.34Å; G84-D88 PolarHBondContact O-N 3.32Å
85	H	89.8	Confident	88.6	Confident	39 Å²	39	36.2 Å²	36.2	18%	0.181	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-45.6	178.2	-61.4	113.7	0	0	0	112.1	R46 F47 C81 T82 T87 D88 Y89	R46-H85 PolarHBondContact NH1-NE2 3.49Å; F47-H85 HydrophobicContact CE2-CB 4.44Å; F47-H85 AromaticContact CE2-CD2 3.83Å; F47-H85 AromaticContact CE2-CG 3.86Å; F47-H85 AromaticContact CE2-ND1 3.98Å; F47-H85 AromaticContact CE2-NE2 3.94Å; F47-H85 AromaticContact CZ-CE1 3.86Å; F47-H85 AromaticContact CZ-ND1 3.9Å; C81-H85 WeakPolarHBondContact SG-CB 3.28Å; T82-H85 PolarHBondContact N-ND1 2.91Å; T82-H85 WeakPolarHBondContact O-CB 3.36Å; T82-H85 PolarHBondContact O-N 2.76Å; T82-H85 VanDerWaalsContact O-N 3.1Å; T82-H85 PolarHBondContact OG1-ND1 3.46Å; H85-T87 VanDerWaalsContact C-N 3.32Å; H85-T87 PolarHBondContact O-N 3.29Å; H85-D88 PolarHBondContact O-N 3.09Å; H85-Y89 HydrophobicContact CB-CE2 4.04Å; H85-Y89 WeakPolarHBondContact O-CD2 3.34Å; H85-Y89 VanDerWaalsContact O-CG 3.3Å; H85-Y89 PolarHBondContact O-N 3.35Å
86	L	89.4	Confident	88.3	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-42.6	176.5	-177.9	60.6	0	0	0	111.9	I11 L14 L22 L37 L73 M76 T82 G84 D88 Y89 L90 L102	I11-L86 HydrophobicContact CD1-CB 3.77Å; I11-L86 HydrophobicContact CD1-CD1 4.44Å; I11-L86 HydrophobicContact CD1-CD2 4.09Å; I11-L86 HydrophobicContact CD1-CG 4.31Å; I11-L86 HydrophobicContact CG1-CB 4.19Å; I11-L86 HydrophobicContact CG1-CD2 4.17Å; I11-L86 HydrophobicContact CG2-CD2 4.49Å; L14-L86 HydrophobicContact CD1-CD2 4.43Å; L22-L86 HydrophobicContact CD1-CD2 4.41Å; L37-L86 HydrophobicContact CD2-CD1 4.4Å; L73-L86 HydrophobicContact CD2-CD1 3.84Å; L73-L86 HydrophobicContact CD2-CD2 4.06Å; M76-L86 HydrophobicContact CE-CD1 3.91Å; T82-L86 PolarHBondContact O-N 3.3Å; G84-L86 PolarHBondContact O-N 3.48Å; L86-D88 VanDerWaalsContact C-N 3.34Å; L86-D88 PolarHBondContact O-N 3.43Å; L86-Y89 PolarHBondContact O-N 3.34Å; L86-L90 HydrophobicContact CD1-CD1 4.13Å; L86-L90 HydrophobicContact CD1-CG 4.17Å; L86-L90 HydrophobicContact CG-CD1 3.96Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.5Å; L86-L90 PolarHBondContact O-N 3.07Å; L86-L102 HydrophobicContact CD2-CD1 4.21Å; L86-L102 HydrophobicContact CD2-CD2 4.05Å; L86-L102 HydrophobicContact CG-CD1 4.14Å
87	T	88.7	Confident	88	Confident	28 Å²	28	44.1 Å²	44.1	17%	0.172	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-45.1	176.9	-56.5	0	0	0	0	110.8	M83 G84 H85 Y89 L90 Q91 L99	M83-T87 WeakPolarHBondContact O-CB 3.17Å; M83-T87 PolarHBondContact O-N 3.02Å; M83-T87 PolarHBondContact O-OG1 3.33Å; G84-T87 WeakPolarHBondContact O-CB 3.28Å; G84-T87 PolarHBondContact O-N 3.34Å; H85-T87 VanDerWaalsContact C-N 3.32Å; H85-T87 PolarHBondContact O-N 3.29Å; T87-Y89 PolarHBondContact O-N 3.24Å; T87-L90 PolarHBondContact O-N 2.89Å; T87-Q91 WeakPolarHBondContact O-CG 3.47Å; T87-Q91 PolarHBondContact O-N 3.29Å; T87-L99 HydrophobicContact CG2-CD2 3.78Å; T87-L99 WeakPolarHBondContact O-CD2 3.37Å
88	D	89.9	Confident	87.9	Confident	63 Å²	63	44 Å²	44	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-38.4	-179.7	-59.3	-15.6	0	0	0	111.5	R7 G84 H85 L86 Q91 T92	R7-D88 IonicContact NH2-OD1 3.92Å; R7-D88 PolarHBondContact NH2-OD1 3.47Å; G84-D88 PolarHBondContact O-N 3.32Å; H85-D88 PolarHBondContact O-N 3.09Å; L86-D88 VanDerWaalsContact C-N 3.34Å; L86-D88 PolarHBondContact O-N 3.43Å; D88-Q91 PolarHBondContact O-N 2.93Å; D88-T92 PolarHBondContact O-N 3.48Å; D88-T92 PolarHBondContact O-OG1 3.2Å
89	Y	91.4	Very high	87.8	Confident	18 Å²	18	38.7 Å²	38.7	7%	0.071	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-41.1	174.5	-61	-41.6	0	0	0	112.7	I40 V41 D44 F47 M76 H85 L86 T87 Q91 T92 L93	I40-Y89 HydrophobicContact CG2-CD1 3.73Å; I40-Y89 HydrophobicContact CG2-CG 4.28Å; V41-Y89 HydrophobicContact CG2-CD2 3.69Å; V41-Y89 HydrophobicContact CG2-CE2 3.96Å; V41-Y89 HydrophobicContact CG2-CG 4.09Å; D44-Y89 HydrophobicContact CB-CE1 4.26Å; D44-Y89 WeakPolarHBondContact CB-OH 3.45Å; D44-Y89 PolarHBondContact OD2-OH 3.39Å; F47-Y89 WeakPolarHBondContact CD2-OH 3.4Å; M76-Y89 HydrophobicContact CE-CD2 3.98Å; M76-Y89 HydrophobicContact CE-CE2 4.33Å; H85-Y89 HydrophobicContact CB-CE2 4.04Å; H85-Y89 WeakPolarHBondContact O-CD2 3.34Å; H85-Y89 VanDerWaalsContact O-CG 3.3Å; H85-Y89 PolarHBondContact O-N 3.35Å; L86-Y89 PolarHBondContact O-N 3.34Å; T87-Y89 PolarHBondContact O-N 3.24Å; Y89-Q91 VanDerWaalsContact C-N 3.33Å; Y89-T92 WeakPolarHBondContact O-CB 3.34Å; Y89-T92 PolarHBondContact O-N 2.97Å; Y89-L93 WeakPolarHBondContact O-CB 3.34Å; Y89-L93 PolarHBondContact O-N 2.96Å
90	L	89.9	Confident	87.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69.2	-30.7	176.9	-68.9	174.1	0	0	0	112.5	L22 L26 L37 L86 T87 L93 G94 N95 A98 L99 L102	L22-L90 HydrophobicContact CD2-CD1 4.2Å; L26-L90 HydrophobicContact CD2-CD2 3.99Å; L37-L90 HydrophobicContact CD1-CD2 4.09Å; L37-L90 HydrophobicContact CD2-CD2 4.15Å; L86-L90 HydrophobicContact CD1-CD1 4.13Å; L86-L90 HydrophobicContact CD1-CG 4.17Å; L86-L90 HydrophobicContact CG-CD1 3.96Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.5Å; L86-L90 PolarHBondContact O-N 3.07Å; T87-L90 PolarHBondContact O-N 2.89Å; L90-L93 HydrophobicContact CD2-CD2 4.06Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-G94 PolarHBondContact O-N 3.31Å; L90-G94 VanDerWaalsContact O-N 3.12Å; L90-N95 PolarHBondContact O-N 3.36Å; L90-N95 VanDerWaalsContact O-N 3.17Å; L90-A98 HydrophobicContact CD1-CB 3.97Å; L90-A98 HydrophobicContact CD2-CB 3.81Å; L90-A98 HydrophobicContact CG-CB 4.41Å; L90-L99 HydrophobicContact CB-CD2 3.64Å; L90-L99 HydrophobicContact CB-CG 3.89Å; L90-L102 HydrophobicContact CD1-CD1 3.66Å; L90-L102 HydrophobicContact CD1-CG 4.41Å
91	Q	89.3	Confident	87.3	Confident	113 Å²	113	39.7 Å²	39.7	53%	0.528	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-45.4	168.6	-76.2	175.1	2.2	0	0	111.5	T87 D88 Y89 L93 G94 L99	T87-Q91 WeakPolarHBondContact O-CG 3.47Å; T87-Q91 PolarHBondContact O-N 3.29Å; D88-Q91 PolarHBondContact O-N 2.93Å; Y89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.87Å; Q91-G94 WeakPolarHBondContact O-CA 3.37Å; Q91-G94 PolarHBondContact O-N 3.22Å; Q91-L99 HydrophobicContact CB-CD1 4.37Å; Q91-L99 HydrophobicContact CG-CD1 3.61Å; Q91-L99 HydrophobicContact CG-CD2 3.81Å; Q91-L99 HydrophobicContact CG-CG 4.37Å
92	T	88.7	Confident	86.9	Confident	105 Å²	105	40.5 Å²	40.5	64%	0.644	23%	0.229	S	C	*	.	H	α-helix	trans	-62.3	-37.5	176.1	-54.1	0	0	0	0	111.6	I40 D88 Y89 G94	I40-T92 HydrophobicContact CD1-CG2 4.37Å; I40-T92 HydrophobicContact CG2-CG2 4.31Å; D88-T92 PolarHBondContact O-N 3.48Å; D88-T92 PolarHBondContact O-OG1 3.2Å; Y89-T92 WeakPolarHBondContact O-CB 3.34Å; Y89-T92 PolarHBondContact O-N 2.97Å; T92-G94 PolarHBondContact O-N 3.44Å
93	L	89	Confident	86.1	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.073	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.1	173.1	-172.9	61.7	0	0	0	112.8	L26 K32 K36 L37 I40 Y89 L90 Q91 N95	L26-L93 HydrophobicContact CD2-CD2 4.16Å; K32-L93 HydrophobicContact CB-CD1 4.29Å; K32-L93 HydrophobicContact CB-CG 4.17Å; K32-L93 WeakPolarHBondContact O-CD2 3.21Å; K36-L93 HydrophobicContact CB-CD1 3.74Å; K36-L93 HydrophobicContact CG-CD1 3.65Å; L37-L93 HydrophobicContact CB-CD2 4.13Å; L37-L93 HydrophobicContact CD1-CD2 4.43Å; I40-L93 HydrophobicContact CD1-CB 3.83Å; I40-L93 HydrophobicContact CD1-CD1 3.85Å; I40-L93 HydrophobicContact CD1-CG 4.43Å; Y89-L93 WeakPolarHBondContact O-CB 3.34Å; Y89-L93 PolarHBondContact O-N 2.96Å; L90-L93 HydrophobicContact CD2-CD2 4.06Å; L90-L93 PolarHBondContact O-N 3.42Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.87Å; L93-N95 VanDerWaalsContact C-N 3.27Å; L93-N95 HydrophobicContact CD2-CB 4.03Å; L93-N95 HydrophobicContact CG-CB 4.12Å; L93-N95 PolarHBondContact O-N 3.48Å
94	G	87.3	Confident	85.1	Confident	36 Å²	36	47.5 Å²	47.5	37%	0.371	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	31.2	-176	0	0	0	0	0	113	K32 L90 Q91 T92	K32-G94 PolarHBondContact NZ-O 3.46Å; L90-G94 PolarHBondContact O-N 3.31Å; L90-G94 VanDerWaalsContact O-N 3.12Å; Q91-G94 WeakPolarHBondContact O-CA 3.37Å; Q91-G94 PolarHBondContact O-N 3.22Å; T92-G94 PolarHBondContact O-N 3.44Å
95	N	86.9	Confident	84.2	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.037	29%	0.286	C	S	.	.			trans	-97.2	88	179	-168	-32.8	0	0	0	109.8	K32 L90 L93 D97 A98 L99	K32-N95 HydrophobicContact CB-CB 4.37Å; K32-N95 PolarHBondContact O-ND2 3.36Å; L90-N95 PolarHBondContact O-N 3.36Å; L90-N95 VanDerWaalsContact O-N 3.17Å; L93-N95 VanDerWaalsContact C-N 3.27Å; L93-N95 HydrophobicContact CD2-CB 4.03Å; L93-N95 HydrophobicContact CG-CB 4.12Å; L93-N95 PolarHBondContact O-N 3.48Å; N95-D97 VanDerWaalsContact C-N 3.26Å; N95-D97 PolarHBondContact O-N 3.17Å; N95-D97 PolarHBondContact OD1-N 3.18Å; N95-A98 HydrophobicContact CB-CB 4.12Å; N95-A98 PolarHBondContact O-N 3.17Å; N95-A98 WeakPolarHBondContact OD1-CB 3.44Å; N95-A98 PolarHBondContact OD1-N 3.34Å; N95-L99 WeakPolarHBondContact O-CG 3.15Å; N95-L99 PolarHBondContact O-N 3.3Å; N95-L99 VanDerWaalsContact O-N 3.14Å
96	S	83.9	Confident	83.3	Confident	79 Å²	79	51.7 Å²	51.7	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-60.9	-33.5	-179.4	48.4	0	0	0	0	113.2	L99 Q100	S96-L99 PolarHBondContact O-N 3.12Å; S96-Q100 WeakPolarHBondContact O-CB 3.41Å; S96-Q100 PolarHBondContact O-N 3.07Å
97	D	83.6	Confident	83.1	Confident	105 Å²	105	51.9 Å²	51.9	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-72.2	-41.3	-176.6	-56.8	-20.9	0	0	0	110.6	V25 N95 Q100 C101	V25-D97 HydrophobicContact CG1-CB 3.94Å; V25-D97 HydrophobicContact CG2-CB 4.46Å; N95-D97 VanDerWaalsContact C-N 3.26Å; N95-D97 PolarHBondContact O-N 3.17Å; N95-D97 PolarHBondContact OD1-N 3.18Å; D97-Q100 PolarHBondContact O-N 3.26Å; D97-C101 PolarHBondContact O-N 3.15Å; D97-C101 PolarHBondContact O-SG 3.39Å
98	A	86.1	Confident	82.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-39.2	173.1	0	0	0	0	0	111.7	L22 V25 L26 L90 N95 Q100 C101	L22-A98 HydrophobicContact CD2-CB 4.11Å; L22-A98 WeakPolarHBondContact CD2-O 3.4Å; V25-A98 HydrophobicContact CG1-CB 4.07Å; L26-A98 HydrophobicContact CD2-CB 4.43Å; L90-A98 HydrophobicContact CD1-CB 3.97Å; L90-A98 HydrophobicContact CD2-CB 3.81Å; L90-A98 HydrophobicContact CG-CB 4.41Å; N95-A98 HydrophobicContact CB-CB 4.12Å; N95-A98 PolarHBondContact O-N 3.17Å; N95-A98 WeakPolarHBondContact OD1-CB 3.44Å; N95-A98 PolarHBondContact OD1-N 3.34Å; A98-Q100 VanDerWaalsContact C-N 3.32Å; A98-Q100 PolarHBondContact O-N 3.38Å; A98-C101 WeakPolarHBondContact O-CB 3.39Å; A98-C101 PolarHBondContact O-N 3.12Å
99	L	85.9	Confident	83	Confident	31 Å²	31	52.6 Å²	52.6	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-36.3	174.9	-74	169.3	0	0	0	113	T87 L90 Q91 N95 S96 C101 L102	T87-L99 HydrophobicContact CG2-CD2 3.78Å; T87-L99 WeakPolarHBondContact O-CD2 3.37Å; L90-L99 HydrophobicContact CB-CD2 3.64Å; L90-L99 HydrophobicContact CB-CG 3.89Å; Q91-L99 HydrophobicContact CB-CD1 4.37Å; Q91-L99 HydrophobicContact CG-CD1 3.61Å; Q91-L99 HydrophobicContact CG-CD2 3.81Å; Q91-L99 HydrophobicContact CG-CG 4.37Å; N95-L99 WeakPolarHBondContact O-CG 3.15Å; N95-L99 PolarHBondContact O-N 3.3Å; N95-L99 VanDerWaalsContact O-N 3.14Å; S96-L99 PolarHBondContact O-N 3.12Å; L99-C101 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 3.38Å
100	Q	82	Confident	82.9	Confident	118 Å²	118	56.7 Å²	56.7	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-65.9	-28	177.8	-170.7	60.9	18.4	0	0	111.9	S96 D97 A98 L102	S96-Q100 WeakPolarHBondContact O-CB 3.41Å; S96-Q100 PolarHBondContact O-N 3.07Å; D97-Q100 PolarHBondContact O-N 3.26Å; A98-Q100 VanDerWaalsContact C-N 3.32Å; A98-Q100 PolarHBondContact O-N 3.38Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.41Å
101	C	81.9	Confident	83	Confident	26 Å²	26	60.7 Å²	60.7	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-24.5	175	-61.3	0	0	0	0	113.4	I18 K21 L22 D97 A98 L99	I18-C101 WeakPolarHBondContact CG2-O 3.48Å; K21-C101 HydrophobicContact CB-CB 4.45Å; L22-C101 HydrophobicContact CD2-CB 3.69Å; L22-C101 HydrophobicContact CG-CB 3.89Å; D97-C101 PolarHBondContact O-N 3.15Å; D97-C101 PolarHBondContact O-SG 3.39Å; A98-C101 WeakPolarHBondContact O-CB 3.39Å; A98-C101 PolarHBondContact O-N 3.12Å; L99-C101 PolarHBondContact O-N 2.89Å
102	L	81.1	Confident	83.2	Confident	17 Å²	17	58.5 Å²	58.5	9%	0.089	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.5	-175.9	-63.1	-178.4	0	0	0	114.4	L14 I18 L22 M83 L86 L90 L99 Q100	L14-L102 HydrophobicContact CD1-CD2 4.49Å; I18-L102 HydrophobicContact CG2-CD2 4.19Å; L22-L102 HydrophobicContact CD1-CD2 3.55Å; L22-L102 HydrophobicContact CD2-CD2 4.11Å; L22-L102 HydrophobicContact CD2-CG 4.24Å; L22-L102 HydrophobicContact CG-CD2 4.34Å; M83-L102 HydrophobicContact CE-CB 3.96Å; M83-L102 HydrophobicContact CE-CD2 3.69Å; M83-L102 HydrophobicContact CE-CG 4.29Å; M83-L102 HydrophobicContact SD-CD2 3.77Å; L86-L102 HydrophobicContact CD2-CD1 4.21Å; L86-L102 HydrophobicContact CD2-CD2 4.05Å; L86-L102 HydrophobicContact CG-CD1 4.14Å; L90-L102 HydrophobicContact CD1-CD1 3.66Å; L90-L102 HydrophobicContact CD1-CG 4.41Å; L99-L102 PolarHBondContact O-N 3.38Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.41Å
103	K	73.6	Confident	83.5	Confident	130 Å²	130	53.8 Å²	53.8	57%	0.565	30%	0.303	S	S	*	.	S	Bend	trans	-76.4	138.7	180	-66.9	179.5	-172.6	161.5	0	110.5
104	P	64.3	Low	83.7	Confident	62 Å²	62	57.7 Å²	57.7	40%	0.403	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.8	139.5	174.6	23.6	-31.8	0	0	0	110.1	A106	P104-A106 PolarHBondContact O-N 3.15Å
105	P	65.4	Low	84	Confident	81 Å²	81	57.3 Å²	57.3	53%	0.526	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.6	139	-179.4	26.2	-33.2	0	0	0	109.9	L107	P105-L107 PolarHBondContact O-N 3.48Å; P105-L107 VanDerWaalsContact O-N 3.15Å
106	A	71.6	Confident	84.2	Confident	51 Å²	51	57 Å²	57	42%	0.421	31%	0.311	S	S	.	.	S	Bend	trans	-64.5	-17.8	-178.3	0	0	0	0	0	113.5	P104 G132 A177	P104-A106 PolarHBondContact O-N 3.15Å; A106-G132 WeakPolarHBondContact O-CA 3.49Å; A106-A177 HydrophobicContact CB-CB 4.19Å
107	L	84.1	Confident	84.6	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.3	-179.4	173.1	58.6	0	0	0	108.5	P105 A130 V172 C174 A177 E179	P105-L107 PolarHBondContact O-N 3.48Å; P105-L107 VanDerWaalsContact O-N 3.15Å; L107-A130 HydrophobicContact CD1-CB 4.25Å; L107-V172 HydrophobicContact CD1-CG1 3.77Å; L107-V172 HydrophobicContact CD2-CB 4.31Å; L107-V172 HydrophobicContact CD2-CG1 4.18Å; L107-V172 VanDerWaalsContact CD2-O 3.22Å; L107-V172 WeakPolarHBondContact CD2-O 3.42Å; L107-V172 HydrophobicContact CG-CG1 4.49Å; L107-C174 HydrophobicContact CB-CB 4.31Å; L107-C174 HydrophobicContact CD1-CB 3.83Å; L107-C174 HydrophobicContact CD2-CB 4.28Å; L107-C174 HydrophobicContact CG-CB 4.37Å; L107-A177 HydrophobicContact CB-CB 3.97Å; L107-A177 HydrophobicContact CD2-CB 4.44Å; L107-E179 HydrophobicContact CB-CG 4.43Å; L107-E179 HydrophobicContact CD2-CB 3.68Å; L107-E179 HydrophobicContact CD2-CG 3.93Å; L107-E179 HydrophobicContact CG-CB 4.12Å; L107-E179 HydrophobicContact CG-CG 4.12Å
108	Q	85.4	Confident	85	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127	177	-171.9	-177	-5.3	0	0	111.2	L110 A130 V131	Q108-L110 HydrophobicContact CG-CD2 4.33Å; Q108-A130 CarbonylContact O-C 3.6Å; Q108-A130 VanDerWaalsContact O-CA 3.22Å; Q108-A130 WeakPolarHBondContact O-CA 3.5Å; Q108-A130 WeakPolarHBondContact O-CB 3.41Å; Q108-V131 PolarHBondContact N-O 3.23Å; Q108-V131 PolarHBondContact O-N 3.14Å
109	I	90.5	Very high	85.1	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.6	170.9	-55.5	177.1	0	0	0	108.6	I111 H129 A130 V172 E179 F180	I109-I111 WeakPolarHBondContact CG2-O 3.22Å; I109-H129 CarbonylContact C-O 3.1Å; I109-A130 HydrophobicContact CB-CB 4.42Å; I109-A130 HydrophobicContact CG1-CB 4.05Å; I109-V172 HydrophobicContact CD1-CG2 3.94Å; I109-V172 HydrophobicContact CG1-CG2 4.12Å; I109-E179 HydrophobicContact CD1-CB 4.3Å; I109-F180 VanDerWaalsContact CD1-C 3.48Å
110	L	90.2	Very high	85.2	Confident	104 Å²	104	49.5 Å²	49.5	55%	0.545	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-43.2	-178.6	-61.1	-175	0	0	0	112.8	Q108 H129 V131	Q108-L110 HydrophobicContact CG-CD2 4.33Å; L110-H129 WeakPolarHBondContact CA-O 3.44Å; L110-H129 PolarHBondContact N-O 3.1Å; L110-V131 HydrophobicContact CD1-CB 4.4Å; L110-V131 HydrophobicContact CD1-CG2 3.46Å; L110-V131 VanDerWaalsContact CD1-CG2 3.46Å; L110-V131 HydrophobicContact CG-CG2 4.13Å
111	I	92.6	Very high	85.4	Confident	85 Å²	85	44.6 Å²	44.6	44%	0.436	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	178	-59.3	178.3	0	0	0	107.4	I109 C128 H129	I109-I111 WeakPolarHBondContact CG2-O 3.22Å; I111-C128 VanDerWaalsContact O-CA 3.31Å; I111-C128 WeakPolarHBondContact O-CA 3.43Å; I111-H129 HydrophobicContact CB-CB 3.89Å; I111-H129 HydrophobicContact CD1-CB 4Å; I111-H129 HydrophobicContact CG1-CB 4.01Å; I111-H129 PolarHBondContact N-O 2.72Å; I111-H129 PolarHBondContact O-N 3.41Å; I111-H129 VanDerWaalsContact O-N 3.11Å
112	Q	93.3	Very high	85.6	Confident	66 Å²	66	45 Å²	45	31%	0.308	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-89.2	144.3	173.9	-64.6	-67.3	-12.5	0	0	109.6	Q114 S127 Q182	Q112-Q114 PolarHBondContact O-N 3.23Å; Q112-S127 CarbonylContact C-O 3.48Å; Q112-Q182 HydrophobicContact CG-CG 4.32Å
113	P	95.3	Very high	86	Confident	7 Å²	7	48.8 Å²	48.8	5%	0.045	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-66.8	136.1	175	28.9	-34	0	0	0	110.9	L126 S127 W140 Q182 A184	P113-L126 HydrophobicContact CB-CB 4.35Å; P113-S127 VanDerWaalsContact CA-O 3.27Å; P113-S127 WeakPolarHBondContact CA-O 3.44Å; P113-W140 HydrophobicContact CB-CH2 3.84Å; P113-W140 HydrophobicContact CB-CZ3 4.04Å; P113-W140 HydrophobicContact CG-CH2 4.25Å; P113-W140 HydrophobicContact CG-CZ3 4.21Å; P113-Q182 WeakPolarHBondContact CG-O 3.37Å; P113-A184 HydrophobicContact CB-CB 3.68Å; P113-A184 HydrophobicContact CG-CB 3.93Å
114	Q	91.9	Very high	86.8	Confident	95 Å²	95	42.7 Å²	42.7	44%	0.444	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-95.7	133.1	-178.6	-165.5	178.7	10.8	0	0	110.5	Q112 L126 P235	Q112-Q114 PolarHBondContact O-N 3.23Å; Q114-L126 WeakPolarHBondContact O-CD2 3.42Å; Q114-P235 HydrophobicContact CG-CB 4.44Å; Q114-P235 VanDerWaalsContact NE2-CG 3.28Å
115	S	93.5	Very high	88.2	Confident	29 Å²	29	45.9 Å²	45.9	20%	0.203	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.1	142.7	173.4	-59.9	0	0	0	0	110.8	Q185 P235 I236	S115-Q185 CarbonylContact C-O 3.59Å; S115-Q185 WeakPolarHBondContact CA-O 3.5Å; S115-Q185 VanDerWaalsContact CB-O 3.28Å; S115-Q185 WeakPolarHBondContact CB-O 3.34Å; S115-Q185 PolarHBondContact OG-N 3.41Å; S115-P235 CarbonylContact O-C 3.57Å; S115-P235 WeakPolarHBondContact O-CA 3.41Å; S115-I236 VanDerWaalsContact CB-CG2 3.48Å; S115-I236 PolarHBondContact O-N 2.92Å
116	V	92.7	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.7	-171.2	54.5	0	0	0	0	111.7	L118 L124 L126 Q185 V186 D187 R234	V116-L118 HydrophobicContact CG1-CD2 4.11Å; V116-L118 HydrophobicContact CG2-CD2 4Å; V116-L124 HydrophobicContact CG1-CD1 3.45Å; V116-L124 VanDerWaalsContact CG1-CD1 3.45Å; V116-L126 HydrophobicContact CG1-CD2 4.23Å; V116-Q185 PolarHBondContact N-O 3.39Å; V116-V186 HydrophobicContact CG1-CG2 4.12Å; V116-V186 WeakPolarHBondContact O-CA 3.44Å; V116-D187 PolarHBondContact O-N 3.04Å; V116-R234 HydrophobicContact CB-CG 3.89Å; V116-R234 HydrophobicContact CG2-CG 3.44Å; V116-R234 VanDerWaalsContact CG2-CG 3.44Å
117	A	92.2	Very high	90.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.5	164.5	0	0	0	0	0	110.4	D187 L189 A231 V232 G233 I236 P237	A117-D187 WeakPolarHBondContact CA-O 3.22Å; A117-D187 HydrophobicContact CB-CB 4.29Å; A117-L189 HydrophobicContact CB-CD1 4.08Å; A117-A231 WeakPolarHBondContact CB-O 3.3Å; A117-V232 WeakPolarHBondContact O-CA 3.43Å; A117-V232 WeakPolarHBondContact O-CB 3.49Å; A117-G233 PolarHBondContact N-O 2.86Å; A117-G233 PolarHBondContact O-N 3Å; A117-I236 HydrophobicContact CB-CG1 4.25Å; A117-P237 HydrophobicContact CB-CG 4.3Å
118	L	91.1	Very high	91.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	162.6	-178.5	62.3	162.8	0	0	0	111.7	V116 H122 L124 V160 V186 D187 V188 L189 I204	V116-L118 HydrophobicContact CG1-CD2 4.11Å; V116-L118 HydrophobicContact CG2-CD2 4Å; L118-H122 HydrophobicContact CD1-CB 4.12Å; L118-L124 HydrophobicContact CD1-CB 4.11Å; L118-L124 HydrophobicContact CD2-CD1 4.08Å; L118-V160 HydrophobicContact CD1-CB 4.03Å; L118-V160 HydrophobicContact CD1-CG1 3.52Å; L118-V160 HydrophobicContact CD1-CG2 4.35Å; L118-V160 HydrophobicContact CG-CG1 3.98Å; L118-V186 HydrophobicContact CD2-CG1 3.92Å; L118-D187 PolarHBondContact N-O 2.94Å; L118-V188 CarbonylContact O-C 3.56Å; L118-V188 WeakPolarHBondContact O-CA 3.46Å; L118-L189 PolarHBondContact O-N 2.81Å; L118-I204 HydrophobicContact CB-CD1 3.65Å
119	I	88.4	Confident	91.7	Very high	26 Å²	26	39.8 Å²	39.8	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.9	176.7	-65.7	156.3	0	0	0	109.5	G121 H122 L189 V191 A211 V232	I119-G121 PolarHBondContact O-N 2.91Å; I119-H122 VanDerWaalsContact O-CB 3.3Å; I119-H122 WeakPolarHBondContact O-CB 3.41Å; I119-H122 PolarHBondContact O-N 2.93Å; I119-H122 VanDerWaalsContact O-N 3.09Å; I119-H122 PolarHBondContact O-ND1 3.3Å; I119-H122 VanDerWaalsContact O-ND1 3.14Å; I119-L189 CarbonylContact C-O 3.53Å; I119-L189 WeakPolarHBondContact CA-O 3.43Å; I119-L189 HydrophobicContact CG1-CB 4.47Å; I119-V191 HydrophobicContact CG1-CG2 4.27Å; I119-A211 HydrophobicContact CD1-CB 4.32Å; I119-V232 HydrophobicContact CD1-CG1 4.17Å; I119-V232 HydrophobicContact CG1-CG1 3.76Å
120	C	88.6	Confident	91.7	Very high	31 Å²	31	39.2 Å²	39.2	21%	0.209	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	136.3	171.6	-167.7	0	0	0	0	111	V188 L189	C120-V188 HydrophobicContact CB-CG1 4.13Å; C120-L189 PolarHBondContact N-O 3.07Å
121	G	86.1	Confident	91.7	Very high	14 Å²	14	38.4 Å²	38.4	14%	0.144	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-18.7	-174.1	0	0	0	0	0	115.2	I119 P159 V160	I119-G121 PolarHBondContact O-N 2.91Å; G121-P159 WeakPolarHBondContact O-CB 3.46Å; G121-V160 PolarHBondContact N-O 3.34Å
122	H	85.8	Confident	91.4	Very high	35 Å²	35	35.6 Å²	35.6	16%	0.162	19%	0.193	C	C	.	.	S	Bend	trans	-80.5	170	177.2	-71.6	68	0	0	0	112.8	L118 I119 V160	L118-H122 HydrophobicContact CD1-CB 4.12Å; I119-H122 VanDerWaalsContact O-CB 3.3Å; I119-H122 WeakPolarHBondContact O-CB 3.41Å; I119-H122 PolarHBondContact O-N 2.93Å; I119-H122 VanDerWaalsContact O-N 3.09Å; I119-H122 PolarHBondContact O-ND1 3.3Å; I119-H122 VanDerWaalsContact O-ND1 3.14Å; H122-V160 WeakPolarHBondContact O-CB 3.35Å; H122-V160 WeakPolarHBondContact O-CG1 3.16Å; H122-V160 PolarHBondContact O-N 2.78Å
123	N	89.1	Confident	90.8	Very high	97 Å²	97	40.6 Å²	40.6	52%	0.519	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-93.5	121.3	-178.6	-58.6	-1.1	0	0	0	110.7	S158	N123-S158 VanDerWaalsContact CG-OG 3.29Å; N123-S158 PolarHBondContact OD1-OG 2.85Å
124	L	91.1	Very high	90.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.3	170.3	178.1	66.2	0	0	0	110	V116 L118 L126 L156 I157 V160 V186	V116-L124 HydrophobicContact CG1-CD1 3.45Å; V116-L124 VanDerWaalsContact CG1-CD1 3.45Å; L118-L124 HydrophobicContact CD1-CB 4.11Å; L118-L124 HydrophobicContact CD2-CD1 4.08Å; L124-L126 HydrophobicContact CD1-CD2 4.21Å; L124-L126 HydrophobicContact CD1-CG 4.24Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L124-L156 WeakPolarHBondContact O-CA 3.39Å; L124-I157 HydrophobicContact CB-CB 4.13Å; L124-I157 HydrophobicContact CD2-CB 4.31Å; L124-I157 HydrophobicContact CD2-CD1 3.92Å; L124-I157 HydrophobicContact CD2-CG1 4.18Å; L124-I157 PolarHBondContact N-O 3.37Å; L124-I157 PolarHBondContact O-N 3.49Å; L124-I157 VanDerWaalsContact O-N 3.09Å; L124-V160 HydrophobicContact CB-CB 4.49Å; L124-V160 HydrophobicContact CB-CG2 4.3Å; L124-V186 HydrophobicContact CD1-CG1 4.08Å; L124-V186 HydrophobicContact CD1-CG2 4.03Å; L124-V186 HydrophobicContact CD2-CG1 3.97Å; L124-V186 HydrophobicContact CD2-CG2 4Å
125	R	92.4	Very high	90.1	Very high	129 Å²	129	44.2 Å²	44.2	49%	0.487	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	116.5	170.5	-177.3	177.7	-175.9	-160.7	2.3	108.3	E154 L155 L156 R234	R125-E154 IonicContact CZ-OE1 2.69Å; R125-E154 VanDerWaalsContact CZ-OE1 3.23Å; R125-E154 IonicContact CZ-OE2 3.12Å; R125-E154 VanDerWaalsContact CZ-OE2 3.27Å; R125-E154 VanDerWaalsContact NE-CD 3.27Å; R125-E154 IonicContact NE-OE1 2.68Å; R125-E154 PolarHBondContact NE-OE1 3.11Å; R125-E154 VanDerWaalsContact NE-OE1 3.12Å; R125-E154 IonicContact NE-OE2 2.79Å; R125-E154 PolarHBondContact NE-OE2 2.87Å; R125-E154 IonicContact NH2-OE1 3.53Å; R125-E154 PolarHBondContact NH2-OE1 2.82Å; R125-E154 IonicContact NH2-OE2 2.69Å; R125-E154 PolarHBondContact NH2-OE2 2.93Å; R125-L155 WeakPolarHBondContact CA-O 3.2Å; R125-L156 HydrophobicContact CB-CD2 3.76Å; R125-L156 HydrophobicContact CG-CD2 3.67Å; R125-R234 PolarHBondContact O-NH1 3.34Å
126	L	94.8	Very high	90	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.1	168	-61.1	178.5	0	0	0	108.5	P113 Q114 V116 L124 W140 E154 L155 Y168 A184 V186	P113-L126 HydrophobicContact CB-CB 4.35Å; Q114-L126 WeakPolarHBondContact O-CD2 3.42Å; V116-L126 HydrophobicContact CG1-CD2 4.23Å; L124-L126 HydrophobicContact CD1-CD2 4.21Å; L124-L126 HydrophobicContact CD1-CG 4.24Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L126-W140 HydrophobicContact CB-CH2 3.66Å; L126-W140 HydrophobicContact CB-CZ2 4.39Å; L126-W140 HydrophobicContact CB-CZ3 3.9Å; L126-W140 HydrophobicContact CD1-CZ3 4.04Å; L126-E154 CarbonylContact O-C 3.58Å; L126-E154 VanDerWaalsContact O-CA 3.31Å; L126-E154 WeakPolarHBondContact O-CA 3.31Å; L126-L155 HydrophobicContact CB-CB 4.37Å; L126-L155 HydrophobicContact CD1-CD2 4.41Å; L126-L155 PolarHBondContact N-O 2.82Å; L126-L155 PolarHBondContact O-N 2.8Å; L126-Y168 HydrophobicContact CD1-CD1 4.29Å; L126-Y168 HydrophobicContact CD1-CD2 4.12Å; L126-Y168 HydrophobicContact CD1-CG 3.74Å; L126-A184 HydrophobicContact CD1-CB 4.46Å; L126-A184 HydrophobicContact CD2-CB 4.24Å; L126-V186 HydrophobicContact CD1-CG2 4Å; L126-V186 HydrophobicContact CD2-CG2 4.27Å
127	S	94.8	Very high	90.1	Very high	29 Å²	29	50.8 Å²	50.8	20%	0.203	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.1	-176.6	-59.2	0	0	0	0	110	Q112 P113 E154	Q112-S127 CarbonylContact C-O 3.48Å; P113-S127 VanDerWaalsContact CA-O 3.27Å; P113-S127 WeakPolarHBondContact CA-O 3.44Å; S127-E154 PolarHBondContact OG-OE1 2.91Å
128	C	96.1	Very high	90.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.			trans	-131.2	110.6	173.5	178.6	0	0	0	0	108.4	I111 Y138 W140 P153 C170	I111-C128 VanDerWaalsContact O-CA 3.31Å; I111-C128 WeakPolarHBondContact O-CA 3.43Å; C128-Y138 WeakPolarHBondContact O-CE1 3.48Å; C128-W140 HydrophobicContact CB-CH2 3.72Å; C128-W140 HydrophobicContact CB-CZ2 3.59Å; C128-P153 PolarHBondContact N-O 3.11Å; C128-P153 VanDerWaalsContact O-CA 3.24Å; C128-P153 WeakPolarHBondContact O-CA 3.46Å; C128-P153 WeakPolarHBondContact O-CB 3.47Å; C128-C170 HydrophobicContact CB-CB 3.69Å
129	H	94.6	Very high	90.5	Very high	63 Å²	63	52.7 Å²	52.7	29%	0.292	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.5	-179.3	-66.7	73.2	0	0	0	109.8	I109 L110 I111 E154	I109-H129 CarbonylContact C-O 3.1Å; L110-H129 WeakPolarHBondContact CA-O 3.44Å; L110-H129 PolarHBondContact N-O 3.1Å; I111-H129 HydrophobicContact CB-CB 3.89Å; I111-H129 HydrophobicContact CD1-CB 4Å; I111-H129 HydrophobicContact CG1-CB 4.01Å; I111-H129 PolarHBondContact N-O 2.72Å; I111-H129 PolarHBondContact O-N 3.41Å; I111-H129 VanDerWaalsContact O-N 3.11Å; H129-E154 IonicContact CE1-OE1 2.78Å
130	A	92.1	Very high	91	Very high	11 Å²	11	51.5 Å²	51.5	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.8	-178.7	0	0	0	0	0	111.9	L107 Q108 I109 V136 Y138 V172	L107-A130 HydrophobicContact CD1-CB 4.25Å; Q108-A130 CarbonylContact O-C 3.6Å; Q108-A130 VanDerWaalsContact O-CA 3.22Å; Q108-A130 WeakPolarHBondContact O-CA 3.5Å; Q108-A130 WeakPolarHBondContact O-CB 3.41Å; I109-A130 HydrophobicContact CB-CB 4.42Å; I109-A130 HydrophobicContact CG1-CB 4.05Å; A130-V136 HydrophobicContact CB-CG1 4.23Å; A130-Y138 HydrophobicContact CB-CE1 4.35Å; A130-Y138 PolarHBondContact N-OH 3.05Å; A130-Y138 VanDerWaalsContact N-OH 3.1Å; A130-Y138 PolarHBondContact O-OH 2.92Å; A130-V172 HydrophobicContact CB-CB 4.43Å; A130-V172 HydrophobicContact CB-CG1 3.61Å; A130-V172 HydrophobicContact CB-CG2 4.25Å
131	V	89.2	Confident	91.3	Very high	86 Å²	86	51.4 Å²	51.4	52%	0.521	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.4	177.2	178.3	0	0	0	0	108.5	Q108 L110	Q108-V131 PolarHBondContact N-O 3.23Å; Q108-V131 PolarHBondContact O-N 3.14Å; L110-V131 HydrophobicContact CD1-CB 4.4Å; L110-V131 HydrophobicContact CD1-CG2 3.46Å; L110-V131 VanDerWaalsContact CD1-CG2 3.46Å; L110-V131 HydrophobicContact CG-CG2 4.13Å
132	G	85.5	Confident	91.7	Very high	26 Å²	26	53.2 Å²	53.2	27%	0.268	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	170.1	178.5	0	0	0	0	0	111.5	A106 S134 C174	A106-G132 WeakPolarHBondContact O-CA 3.49Å; G132-S134 PolarHBondContact O-N 3.08Å; G132-C174 VanDerWaalsContact CA-SG 3.58Å
133	K	80.8	Confident	91.7	Very high	171 Å²	171	54.7 Å²	54.7	74%	0.743	29%	0.292	S	S	*	.	S	Bend	trans	-74.7	-7.8	-178	-64.7	-178	179.4	179.5	0	114.2	C174	K133-C174 PolarHBondContact N-SG 3.45Å; K133-C174 VanDerWaalsContact N-SG 3.41Å
134	S	84.4	Confident	91.5	Very high	59 Å²	59	61.5 Å²	61.5	41%	0.413	31%	0.311	S	S	.	.	S	Bend	trans	-135.1	167.6	178.1	-57.3	0	0	0	0	109.2	G132 V136 C174	G132-S134 PolarHBondContact O-N 3.08Å; S134-V136 PolarHBondContact O-N 3.02Å; S134-C174 PolarHBondContact N-SG 2.87Å; S134-C174 PolarHBondContact O-SG 2.8Å; S134-C174 VanDerWaalsContact O-SG 3.41Å
135	P	88.1	Confident	91.6	Very high	119 Å²	119	68.8 Å²	68.8	77%	0.773	35%	0.345	S	S	*	.			trans	-53	127.2	177.4	-27.4	35.9	0	0	0	111.7
136	V	92.9	Very high	91.7	Very high	38 Å²	38	67.7 Å²	67.7	23%	0.23	35%	0.345	C	S	.	.			trans	-86.6	130.3	-175.2	-177.4	0	0	0	0	109.4	A130 S134 Y138 V172 N173	A130-V136 HydrophobicContact CB-CG1 4.23Å; S134-V136 PolarHBondContact O-N 3.02Å; V136-Y138 HydrophobicContact CB-CE2 4.32Å; V136-Y138 HydrophobicContact CG1-CE1 4.21Å; V136-Y138 HydrophobicContact CG1-CE2 3.83Å; V136-V172 HydrophobicContact CG1-CG1 3.19Å; V136-N173 WeakPolarHBondContact CA-O 3.5Å
137	Q	94.2	Very high	91.6	Very high	130 Å²	130	68.9 Å²	68.9	61%	0.607	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	141	176.5	-64.6	177.4	-15.1	0	0	110.1	V172 N173	Q137-V172 WeakPolarHBondContact O-CA 3.46Å; Q137-N173 HydrophobicContact CB-CB 4.4Å; Q137-N173 PolarHBondContact N-O 2.86Å; Q137-N173 PolarHBondContact O-N 3.04Å
138	Y	96.3	Very high	91.4	Very high	29 Å²	29	72.6 Å²	72.6	11%	0.114	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	148	-178.9	-58.4	-92.4	0	0	0	110.3	C128 A130 V136 F151 P153 R171 V172	C128-Y138 WeakPolarHBondContact O-CE1 3.48Å; A130-Y138 HydrophobicContact CB-CE1 4.35Å; A130-Y138 PolarHBondContact N-OH 3.05Å; A130-Y138 VanDerWaalsContact N-OH 3.1Å; A130-Y138 PolarHBondContact O-OH 2.92Å; V136-Y138 HydrophobicContact CB-CE2 4.32Å; V136-Y138 HydrophobicContact CG1-CE1 4.21Å; V136-Y138 HydrophobicContact CG1-CE2 3.83Å; Y138-F151 WeakPolarHBondContact O-CA 3.15Å; Y138-P153 HydrophobicContact CD1-CB 4.43Å; Y138-P153 HydrophobicContact CD2-CB 4.44Å; Y138-P153 HydrophobicContact CE1-CB 4.07Å; Y138-P153 HydrophobicContact CE2-CB 4.09Å; Y138-P153 HydrophobicContact CE2-CG 4.44Å; Y138-R171 WeakPolarHBondContact CA-O 3.29Å; Y138-V172 HydrophobicContact CD1-CG1 4.5Å; Y138-V172 HydrophobicContact CD1-CG2 3.95Å; Y138-V172 HydrophobicContact CE1-CG1 4.24Å; Y138-V172 HydrophobicContact CE1-CG2 4.02Å
139	Q	96.3	Very high	91	Very high	12 Å²	12	79.4 Å²	79.4	6%	0.056	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	124.1	167.2	177.2	61	53.9	0	0	108.1	F141 E146 V147 S150 R171	Q139-F141 HydrophobicContact CB-CE2 3.99Å; Q139-F141 HydrophobicContact CG-CD2 4.23Å; Q139-F141 HydrophobicContact CG-CE2 3.49Å; Q139-F141 VanDerWaalsContact CG-CE2 3.49Å; Q139-F141 HydrophobicContact CG-CZ 3.79Å; Q139-F141 WeakPolarHBondContact O-CD2 3.44Å; Q139-E146 HydrophobicContact CG-CG 4.14Å; Q139-V147 PolarHBondContact NE2-O 3.11Å; Q139-V147 VanDerWaalsContact NE2-O 3.09Å; Q139-S150 WeakPolarHBondContact CA-O 3.24Å; Q139-S150 PolarHBondContact NE2-OG 2.9Å; Q139-R171 PolarHBondContact N-O 2.84Å; Q139-R171 PolarHBondContact O-N 2.95Å
140	W	97.6	Very high	90.8	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.3	174.9	-66	79.1	0	0	0	111.5	P113 L126 C128 V147 S150 S152 L155 C170	P113-W140 HydrophobicContact CB-CH2 3.84Å; P113-W140 HydrophobicContact CB-CZ3 4.04Å; P113-W140 HydrophobicContact CG-CH2 4.25Å; P113-W140 HydrophobicContact CG-CZ3 4.21Å; L126-W140 HydrophobicContact CB-CH2 3.66Å; L126-W140 HydrophobicContact CB-CZ2 4.39Å; L126-W140 HydrophobicContact CB-CZ3 3.9Å; L126-W140 HydrophobicContact CD1-CZ3 4.04Å; C128-W140 HydrophobicContact CB-CH2 3.72Å; C128-W140 HydrophobicContact CB-CZ2 3.59Å; W140-V147 HydrophobicContact CB-CB 4.31Å; W140-V147 HydrophobicContact CB-CG2 4.35Å; W140-V147 PolarHBondContact O-N 2.87Å; W140-S150 WeakPolarHBondContact CB-OG 3.26Å; W140-S150 PolarHBondContact N-O 3.26Å; W140-S150 PolarHBondContact N-OG 3.4Å; W140-S150 PolarHBondContact O-OG 3.4Å; W140-S152 PolarHBondContact NE1-O 2.92Å; W140-L155 HydrophobicContact CB-CD2 4.13Å; W140-L155 HydrophobicContact CD2-CB 3.76Å; W140-L155 HydrophobicContact CD2-CD2 4.09Å; W140-L155 HydrophobicContact CD2-CG 4.48Å; W140-L155 HydrophobicContact CE3-CB 4.28Å; W140-L155 HydrophobicContact CE3-CD2 4.12Å; W140-L155 HydrophobicContact CG-CB 3.98Å; W140-L155 HydrophobicContact CG-CD1 4.47Å; W140-L155 HydrophobicContact CG-CD2 4.12Å; W140-L155 HydrophobicContact CG-CG 4.42Å; W140-L155 HydrophobicContact CZ2-CB 4.15Å; W140-C170 HydrophobicContact CD2-CB 3.9Å; W140-C170 HydrophobicContact CE3-CB 3.87Å; W140-C170 HydrophobicContact CH2-CB 4.03Å; W140-C170 HydrophobicContact CZ2-CB 4.03Å; W140-C170 HydrophobicContact CZ3-CB 3.94Å
141	F	95.1	Very high	90.9	Very high	29 Å²	29	82.7 Å²	82.7	13%	0.127	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.5	174.6	-65.3	-101.8	0	0	0	108.4	Q139 E145 E146 Y168 I169 R171	Q139-F141 HydrophobicContact CB-CE2 3.99Å; Q139-F141 HydrophobicContact CG-CD2 4.23Å; Q139-F141 HydrophobicContact CG-CE2 3.49Å; Q139-F141 VanDerWaalsContact CG-CE2 3.49Å; Q139-F141 HydrophobicContact CG-CZ 3.79Å; Q139-F141 WeakPolarHBondContact O-CD2 3.44Å; F141-E145 CarbonylContact C-O 3.6Å; F141-E145 VanDerWaalsContact CA-O 3.23Å; F141-E145 WeakPolarHBondContact CA-O 3.28Å; F141-E146 HydrophobicContact CD1-CG 3.74Å; F141-E146 HydrophobicContact CE1-CB 4.39Å; F141-E146 HydrophobicContact CE1-CG 3.18Å; F141-E146 HydrophobicContact CE2-CG 4.46Å; F141-E146 HydrophobicContact CZ-CG 3.58Å; F141-E146 WeakPolarHBondContact CZ-OE1 3.4Å; F141-Y168 VanDerWaalsContact O-CA 3.32Å; F141-Y168 WeakPolarHBondContact O-CA 3.21Å; F141-I169 HydrophobicContact CB-CG2 3.81Å; F141-I169 PolarHBondContact N-O 2.99Å; F141-I169 PolarHBondContact O-N 3.48Å; F141-R171 HydrophobicContact CD2-CB 4.25Å; F141-R171 HydrophobicContact CE2-CB 3.64Å
142	K	94.1	Very high	91.1	Very high	53 Å²	53	81.2 Å²	81.2	23%	0.23	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.1	166.3	-170.5	-169.3	-171.9	-145.3	0	107.2	R144 E145 V147 K163 D164 A165 Y168	K142-R144 PolarHBondContact O-N 3.38Å; K142-E145 PolarHBondContact N-O 3.2Å; K142-E145 PolarHBondContact O-N 2.97Å; K142-V147 HydrophobicContact CB-CG2 3.88Å; K142-K163 PolarHBondContact NZ-O 3.23Å; K142-D164 WeakPolarHBondContact CE-O 3.48Å; K142-A165 WeakPolarHBondContact CE-O 3.49Å; K142-A165 PolarHBondContact NZ-O 3.32Å; K142-Y168 HydrophobicContact CB-CD1 4.12Å; K142-Y168 HydrophobicContact CB-CE1 3.78Å; K142-Y168 HydrophobicContact CD-CE1 4.18Å; K142-Y168 HydrophobicContact CD-CE2 4.35Å; K142-Y168 WeakPolarHBondContact CD-OH 3.39Å; K142-Y168 WeakPolarHBondContact CE-OH 3.46Å; K142-Y168 HydrophobicContact CG-CD1 4.3Å; K142-Y168 HydrophobicContact CG-CE1 3.8Å; K142-Y168 HydrophobicContact CG-CE2 4.04Å
143	S	86.1	Confident	91.5	Very high	65 Å²	65	81.7 Å²	81.7	46%	0.455	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	-99.6	-171.5	-56	0	0	0	0	111.7	F167 W183	S143-F167 PolarHBondContact N-O 3.37Å; S143-W183 WeakPolarHBondContact O-CH2 3.45Å
144	R	86.1	Confident	92.2	Very high	241 Å²	241	75.6 Å²	75.6	91%	0.909	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	0.9	-179.6	-65.4	-175.2	-179.9	-123.7	1.1	113.9	K142	K142-R144 PolarHBondContact O-N 3.38Å
145	E	93.1	Very high	92.7	Very high	154 Å²	154	73.3 Å²	73.3	72%	0.72	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.5	-174.6	-65.3	-179.5	176.5	0	0	110.7	F141 K142 V147	F141-E145 CarbonylContact C-O 3.6Å; F141-E145 VanDerWaalsContact CA-O 3.23Å; F141-E145 WeakPolarHBondContact CA-O 3.28Å; K142-E145 PolarHBondContact N-O 3.2Å; K142-E145 PolarHBondContact O-N 2.97Å; E145-V147 PolarHBondContact O-N 2.84Å
146	E	93.3	Very high	92.9	Very high	105 Å²	105	73.2 Å²	73.2	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.9	173.1	-75.3	-173.5	168.2	0	0	109.7	Q139 F141 P148 R171	Q139-E146 HydrophobicContact CG-CG 4.14Å; F141-E146 HydrophobicContact CD1-CG 3.74Å; F141-E146 HydrophobicContact CE1-CB 4.39Å; F141-E146 HydrophobicContact CE1-CG 3.18Å; F141-E146 HydrophobicContact CE2-CG 4.46Å; F141-E146 HydrophobicContact CZ-CG 3.58Å; F141-E146 WeakPolarHBondContact CZ-OE1 3.4Å; E146-P148 WeakPolarHBondContact O-CD 3.31Å; E146-R171 IonicContact OE1-NH2 4Å
147	V	93.8	Very high	92.9	Very high	27 Å²	27	72.8 Å²	72.8	16%	0.164	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-75.4	119.2	169.7	-177	0	0	0	0	107.2	Q139 W140 K142 E145 S150 L155 Y168	Q139-V147 PolarHBondContact NE2-O 3.11Å; Q139-V147 VanDerWaalsContact NE2-O 3.09Å; W140-V147 HydrophobicContact CB-CB 4.31Å; W140-V147 HydrophobicContact CB-CG2 4.35Å; W140-V147 PolarHBondContact O-N 2.87Å; K142-V147 HydrophobicContact CB-CG2 3.88Å; E145-V147 PolarHBondContact O-N 2.84Å; V147-S150 WeakPolarHBondContact O-CB 3.27Å; V147-S150 PolarHBondContact O-N 3.37Å; V147-S150 PolarHBondContact O-OG 2.85Å; V147-L155 HydrophobicContact CG1-CD1 4.01Å; V147-Y168 HydrophobicContact CG2-CD1 4.46Å; V147-Y168 HydrophobicContact CG2-CE1 4.15Å
148	P	89.7	Confident	92.6	Very high	107 Å²	107	70.4 Å²	70.4	70%	0.695	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	143.5	-177.6	-23.3	33.6	0	0	0	111.4	E146 S150	E146-P148 WeakPolarHBondContact O-CD 3.31Å; P148-S150 PolarHBondContact O-N 2.89Å
149	N	87.9	Confident	92.2	Very high	142 Å²	142	72.5 Å²	72.5	76%	0.759	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	27.5	175	-53.6	-44.3	0	0	0	115.1	F151	N149-F151 PolarHBondContact O-N 3.49Å
150	S	90.9	Very high	92	Very high	6 Å²	6	72 Å²	72	4%	0.042	38%	0.375	C	S	.	.			trans	-101.6	55.9	-177	67.8	0	0	0	0	113.1	Q139 W140 V147 P148	Q139-S150 WeakPolarHBondContact CA-O 3.24Å; Q139-S150 PolarHBondContact NE2-OG 2.9Å; W140-S150 WeakPolarHBondContact CB-OG 3.26Å; W140-S150 PolarHBondContact N-O 3.26Å; W140-S150 PolarHBondContact N-OG 3.4Å; W140-S150 PolarHBondContact O-OG 3.4Å; V147-S150 WeakPolarHBondContact O-CB 3.27Å; V147-S150 PolarHBondContact O-N 3.37Å; V147-S150 PolarHBondContact O-OG 2.85Å; P148-S150 PolarHBondContact O-N 2.89Å
151	F	92.9	Very high	91.7	Very high	137 Å²	137	75.7 Å²	75.7	60%	0.601	39%	0.392	S	S	*	.			trans	-91.2	3.5	-175.9	-49.9	-65.8	0	0	0	114.7	Y138 N149	Y138-F151 WeakPolarHBondContact O-CA 3.15Å; N149-F151 PolarHBondContact O-N 3.49Å
152	S	93.4	Very high	91.5	Very high	55 Å²	55	78.4 Å²	78.4	39%	0.385	41%	0.408	S	S	.	.	S	Bend	trans	-96.4	152.6	-176.6	175.8	0	0	0	0	111.3	W140 E154	W140-S152 PolarHBondContact NE1-O 2.92Å; S152-E154 WeakPolarHBondContact CB-O 3.11Å; S152-E154 PolarHBondContact O-N 2.84Å; S152-E154 VanDerWaalsContact O-N 3.07Å; S152-E154 PolarHBondContact OG-N 2.9Å; S152-E154 VanDerWaalsContact OG-N 3.15Å; S152-E154 PolarHBondContact OG-O 2.96Å
153	P	93.9	Very high	91.4	Very high	36 Å²	36	83.7 Å²	83.7	23%	0.234	43%	0.431	C	S	.	.	S	Bend	trans	-57.1	-16.3	165.9	25.2	-36.3	0	0	0	113.1	C128 Y138	C128-P153 PolarHBondContact N-O 3.11Å; C128-P153 VanDerWaalsContact O-CA 3.24Å; C128-P153 WeakPolarHBondContact O-CA 3.46Å; C128-P153 WeakPolarHBondContact O-CB 3.47Å; Y138-P153 HydrophobicContact CD1-CB 4.43Å; Y138-P153 HydrophobicContact CD2-CB 4.44Å; Y138-P153 HydrophobicContact CE1-CB 4.07Å; Y138-P153 HydrophobicContact CE2-CB 4.09Å; Y138-P153 HydrophobicContact CE2-CG 4.44Å
154	E	95.1	Very high	91.7	Very high	44 Å²	44	81.8 Å²	81.8	21%	0.206	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129	176.9	-51.8	-155.7	139.3	0	0	112.3	R125 L126 S127 H129 S152	R125-E154 IonicContact CZ-OE1 2.69Å; R125-E154 VanDerWaalsContact CZ-OE1 3.23Å; R125-E154 IonicContact CZ-OE2 3.12Å; R125-E154 VanDerWaalsContact CZ-OE2 3.27Å; R125-E154 VanDerWaalsContact NE-CD 3.27Å; R125-E154 IonicContact NE-OE1 2.68Å; R125-E154 PolarHBondContact NE-OE1 3.11Å; R125-E154 VanDerWaalsContact NE-OE1 3.12Å; R125-E154 IonicContact NE-OE2 2.79Å; R125-E154 PolarHBondContact NE-OE2 2.87Å; R125-E154 IonicContact NH2-OE1 3.53Å; R125-E154 PolarHBondContact NH2-OE1 2.82Å; R125-E154 IonicContact NH2-OE2 2.69Å; R125-E154 PolarHBondContact NH2-OE2 2.93Å; L126-E154 CarbonylContact O-C 3.58Å; L126-E154 VanDerWaalsContact O-CA 3.31Å; L126-E154 WeakPolarHBondContact O-CA 3.31Å; S127-E154 PolarHBondContact OG-OE1 2.91Å; H129-E154 IonicContact CE1-OE1 2.78Å; S152-E154 WeakPolarHBondContact CB-O 3.11Å; S152-E154 PolarHBondContact O-N 2.84Å; S152-E154 VanDerWaalsContact O-N 3.07Å; S152-E154 PolarHBondContact OG-N 2.9Å; S152-E154 VanDerWaalsContact OG-N 3.15Å; S152-E154 PolarHBondContact OG-O 2.96Å
155	L	95	Very high	92.1	Very high	10 Å²	10	71.9 Å²	71.9	5%	0.052	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.7	168.6	-179.6	64.9	0	0	0	109.4	R125 L126 W140 V147 I157 Y168	R125-L155 WeakPolarHBondContact CA-O 3.2Å; L126-L155 HydrophobicContact CB-CB 4.37Å; L126-L155 HydrophobicContact CD1-CD2 4.41Å; L126-L155 PolarHBondContact N-O 2.82Å; L126-L155 PolarHBondContact O-N 2.8Å; W140-L155 HydrophobicContact CB-CD2 4.13Å; W140-L155 HydrophobicContact CD2-CB 3.76Å; W140-L155 HydrophobicContact CD2-CD2 4.09Å; W140-L155 HydrophobicContact CD2-CG 4.48Å; W140-L155 HydrophobicContact CE3-CB 4.28Å; W140-L155 HydrophobicContact CE3-CD2 4.12Å; W140-L155 HydrophobicContact CG-CB 3.98Å; W140-L155 HydrophobicContact CG-CD1 4.47Å; W140-L155 HydrophobicContact CG-CD2 4.12Å; W140-L155 HydrophobicContact CG-CG 4.42Å; W140-L155 HydrophobicContact CZ2-CB 4.15Å; V147-L155 HydrophobicContact CG1-CD1 4.01Å; L155-I157 HydrophobicContact CG-CG1 4.46Å; L155-Y168 HydrophobicContact CD2-CD1 3.48Å; L155-Y168 VanDerWaalsContact CD2-CD1 3.48Å; L155-Y168 HydrophobicContact CD2-CE1 3.61Å; L155-Y168 HydrophobicContact CD2-CG 4.46Å
156	L	92.9	Very high	92.1	Very high	117 Å²	117	65.4 Å²	65.4	61%	0.613	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.8	179.1	-66.9	169.5	0	0	0	109.9	L124 R125	L124-L156 WeakPolarHBondContact O-CA 3.39Å; R125-L156 HydrophobicContact CB-CD2 3.76Å; R125-L156 HydrophobicContact CG-CD2 3.67Å
157	I	92.3	Very high	92.2	Very high	29 Å²	29	65 Å²	65	15%	0.149	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118	171.8	-51.5	-177.3	0	0	0	107.6	L124 L155 D164 Y168	L124-I157 HydrophobicContact CB-CB 4.13Å; L124-I157 HydrophobicContact CD2-CB 4.31Å; L124-I157 HydrophobicContact CD2-CD1 3.92Å; L124-I157 HydrophobicContact CD2-CG1 4.18Å; L124-I157 PolarHBondContact N-O 3.37Å; L124-I157 PolarHBondContact O-N 3.49Å; L124-I157 VanDerWaalsContact O-N 3.09Å; L155-I157 HydrophobicContact CG-CG1 4.46Å; I157-D164 HydrophobicContact CD1-CB 4.3Å; I157-Y168 HydrophobicContact CD1-CE1 4.4Å
158	S	88.2	Confident	92.3	Very high	80 Å²	80	63.9 Å²	63.9	56%	0.559	35%	0.349	S	S	*	.	S	Bend	trans	-151.3	116	-172.8	172.1	0	0	0	0	110.1	N123	N123-S158 VanDerWaalsContact CG-OG 3.29Å; N123-S158 PolarHBondContact OD1-OG 2.85Å
159	P	88.8	Confident	92.6	Very high	74 Å²	74	59.5 Å²	59.5	48%	0.481	32%	0.319	S	S	.	.	S	Bend	cis	-76.8	140.9	-7	29.4	-32	0	0	0	112.1	G121	G121-P159 WeakPolarHBondContact O-CB 3.46Å
160	V	91	Very high	93.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.			trans	-64.9	141.8	172.3	82.4	0	0	0	0	110.6	L118 G121 H122 L124 D164 V188	L118-V160 HydrophobicContact CD1-CB 4.03Å; L118-V160 HydrophobicContact CD1-CG1 3.52Å; L118-V160 HydrophobicContact CD1-CG2 4.35Å; L118-V160 HydrophobicContact CG-CG1 3.98Å; G121-V160 PolarHBondContact N-O 3.34Å; H122-V160 WeakPolarHBondContact O-CB 3.35Å; H122-V160 WeakPolarHBondContact O-CG1 3.16Å; H122-V160 PolarHBondContact O-N 2.78Å; L124-V160 HydrophobicContact CB-CB 4.49Å; L124-V160 HydrophobicContact CB-CG2 4.3Å; V160-D164 HydrophobicContact CG2-CB 3.72Å; V160-V188 HydrophobicContact CG1-CG1 4.11Å; V160-V188 HydrophobicContact CG1-CG2 4.47Å; V160-V188 HydrophobicContact CG2-CG2 3.83Å
161	Q	92.4	Very high	93.3	Very high	78 Å²	78	55.5 Å²	55.5	36%	0.364	29%	0.293	S	S	.	.			trans	-118.6	164	176.2	-61.3	-60.2	-46.6	0	0	110.6	K163 D164	Q161-K163 HydrophobicContact CB-CG 3.98Å; Q161-K163 PolarHBondContact O-N 2.82Å; Q161-K163 VanDerWaalsContact O-N 3.17Å; Q161-D164 PolarHBondContact N-OD2 2.9Å; Q161-D164 WeakPolarHBondContact O-CB 3.32Å; Q161-D164 PolarHBondContact O-N 2.91Å
162	L	90.7	Very high	93.4	Very high	87 Å²	87	49 Å²	49	46%	0.455	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-53.7	-36.6	175.9	-80.1	174.1	0	0	0	113.1	D164 A165 V188 N190	L162-D164 PolarHBondContact O-N 3.36Å; L162-A165 WeakPolarHBondContact O-CB 3.42Å; L162-A165 PolarHBondContact O-N 2.81Å; L162-V188 HydrophobicContact CD2-CB 4.4Å; L162-V188 HydrophobicContact CD2-CG1 4.26Å; L162-V188 WeakPolarHBondContact CD2-O 3.13Å; L162-N190 HydrophobicContact CD1-CB 3.97Å; L162-N190 HydrophobicContact CD2-CB 4.01Å; L162-N190 HydrophobicContact CG-CB 4.24Å
163	K	91.9	Very high	93.3	Very high	164 Å²	164	48.2 Å²	48.2	71%	0.713	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.8	-14.2	177.4	69	176.1	-178.2	-179.6	0	113.7	K142 Q161	K142-K163 PolarHBondContact NZ-O 3.23Å; Q161-K163 HydrophobicContact CB-CG 3.98Å; Q161-K163 PolarHBondContact O-N 2.82Å; Q161-K163 VanDerWaalsContact O-N 3.17Å
164	D	93	Very high	93.1	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.134	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-88.2	-7.5	179.3	-55.2	-41.2	0	0	0	111.7	K142 I157 V160 Q161 L162 Y168	K142-D164 WeakPolarHBondContact CE-O 3.48Å; I157-D164 HydrophobicContact CD1-CB 4.3Å; V160-D164 HydrophobicContact CG2-CB 3.72Å; Q161-D164 PolarHBondContact N-OD2 2.9Å; Q161-D164 WeakPolarHBondContact O-CB 3.32Å; Q161-D164 PolarHBondContact O-N 2.91Å; L162-D164 PolarHBondContact O-N 3.36Å; D164-Y168 WeakPolarHBondContact O-CE2 3.23Å; D164-Y168 PolarHBondContact O-OH 2.9Å
165	A	93.4	Very high	92.7	Very high	32 Å²	32	47.6 Å²	47.6	26%	0.264	27%	0.266	S	S	.	.			trans	-61.3	142.3	170.7	0	0	0	0	0	111.2	K142 L162 V186 V188	K142-A165 WeakPolarHBondContact CE-O 3.49Å; K142-A165 PolarHBondContact NZ-O 3.32Å; L162-A165 WeakPolarHBondContact O-CB 3.42Å; L162-A165 PolarHBondContact O-N 2.81Å; A165-V186 WeakPolarHBondContact CA-O 3.31Å; A165-V188 HydrophobicContact CB-CB 4.27Å; A165-V188 HydrophobicContact CB-CG2 4.05Å
166	G	93.4	Very high	91.9	Very high	18 Å²	18	55.6 Å²	55.6	19%	0.186	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-169.3	-179.8	0	0	0	0	0	113.8	V186	G166-V186 PolarHBondContact N-O 3.01Å; G166-V186 PolarHBondContact O-N 2.99Å
167	F	95.4	Very high	91.4	Very high	97 Å²	97	51.2 Å²	51.2	43%	0.425	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.3	179.1	-65	-86.3	0	0	0	110.1	S143 W183 Q185	S143-F167 PolarHBondContact N-O 3.37Å; F167-W183 HydrophobicContact CB-CD2 4.49Å; F167-W183 HydrophobicContact CB-CE3 3.6Å; F167-W183 HydrophobicContact CB-CZ3 3.96Å; F167-Q185 HydrophobicContact CD1-CB 3.94Å; F167-Q185 HydrophobicContact CD1-CG 4.2Å; F167-Q185 HydrophobicContact CE1-CB 3.74Å; F167-Q185 HydrophobicContact CE1-CG 3.76Å; F167-Q185 HydrophobicContact CZ-CG 4.09Å
168	Y	96.2	Very high	91.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.3	179	-70.9	-97.5	0	0	0	110.1	L126 F141 K142 V147 L155 I157 D164 W183 A184 V186	L126-Y168 HydrophobicContact CD1-CD1 4.29Å; L126-Y168 HydrophobicContact CD1-CD2 4.12Å; L126-Y168 HydrophobicContact CD1-CG 3.74Å; F141-Y168 VanDerWaalsContact O-CA 3.32Å; F141-Y168 WeakPolarHBondContact O-CA 3.21Å; K142-Y168 HydrophobicContact CB-CD1 4.12Å; K142-Y168 HydrophobicContact CB-CE1 3.78Å; K142-Y168 HydrophobicContact CD-CE1 4.18Å; K142-Y168 HydrophobicContact CD-CE2 4.35Å; K142-Y168 WeakPolarHBondContact CD-OH 3.39Å; K142-Y168 WeakPolarHBondContact CE-OH 3.46Å; K142-Y168 HydrophobicContact CG-CD1 4.3Å; K142-Y168 HydrophobicContact CG-CE1 3.8Å; K142-Y168 HydrophobicContact CG-CE2 4.04Å; V147-Y168 HydrophobicContact CG2-CD1 4.46Å; V147-Y168 HydrophobicContact CG2-CE1 4.15Å; L155-Y168 HydrophobicContact CD2-CD1 3.48Å; L155-Y168 VanDerWaalsContact CD2-CD1 3.48Å; L155-Y168 HydrophobicContact CD2-CE1 3.61Å; L155-Y168 HydrophobicContact CD2-CG 4.46Å; I157-Y168 HydrophobicContact CD1-CE1 4.4Å; D164-Y168 WeakPolarHBondContact O-CE2 3.23Å; D164-Y168 PolarHBondContact O-OH 2.9Å; Y168-W183 WeakPolarHBondContact O-CA 3.15Å; Y168-A184 PolarHBondContact N-O 2.73Å; Y168-A184 PolarHBondContact O-N 3.06Å; Y168-V186 HydrophobicContact CD2-CB 4.11Å; Y168-V186 HydrophobicContact CD2-CG2 3.56Å; Y168-V186 HydrophobicContact CE2-CB 3.94Å; Y168-V186 HydrophobicContact CE2-CG2 3.76Å
169	I	96.8	Very high	91.3	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.072	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.1	172.6	-166.1	168.2	0	0	0	108.8	F141 F180 S181 W183	F141-I169 HydrophobicContact CB-CG2 3.81Å; F141-I169 PolarHBondContact N-O 2.99Å; F141-I169 PolarHBondContact O-N 3.48Å; I169-F180 HydrophobicContact CD1-CB 3.75Å; I169-F180 HydrophobicContact CD1-CD1 3.98Å; I169-F180 HydrophobicContact CD1-CG 4.25Å; I169-F180 HydrophobicContact CG1-CB 4.18Å; I169-F180 HydrophobicContact CG1-CD1 4.17Å; I169-S181 VanDerWaalsContact CD1-O 3.26Å; I169-S181 WeakPolarHBondContact CD1-O 3.34Å; I169-S181 VanDerWaalsContact CG1-O 3.28Å; I169-S181 WeakPolarHBondContact CG1-O 3.41Å; I169-W183 HydrophobicContact CB-CD2 3.91Å; I169-W183 HydrophobicContact CB-CE3 3.61Å; I169-W183 HydrophobicContact CB-CH2 3.95Å; I169-W183 HydrophobicContact CB-CZ2 4.21Å; I169-W183 HydrophobicContact CB-CZ3 3.65Å; I169-W183 HydrophobicContact CD1-CD2 4.01Å; I169-W183 HydrophobicContact CD1-CG 4.37Å; I169-W183 HydrophobicContact CD1-CH2 4.45Å; I169-W183 HydrophobicContact CD1-CZ2 3.88Å; I169-W183 HydrophobicContact CG1-CD2 4.42Å; I169-W183 HydrophobicContact CG2-CD2 4.47Å; I169-W183 HydrophobicContact CG2-CE3 4.01Å; I169-W183 HydrophobicContact CG2-CH2 3.42Å; I169-W183 VanDerWaalsContact CG2-CH2 3.42Å; I169-W183 HydrophobicContact CG2-CZ2 3.91Å; I169-W183 HydrophobicContact CG2-CZ3 3.48Å; I169-W183 VanDerWaalsContact CG2-CZ3 3.48Å
170	C	96.6	Very high	91.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.3	175.8	-170.5	0	0	0	0	108.9	C128 W140 F180 S181	C128-C170 HydrophobicContact CB-CB 3.69Å; W140-C170 HydrophobicContact CD2-CB 3.9Å; W140-C170 HydrophobicContact CE3-CB 3.87Å; W140-C170 HydrophobicContact CH2-CB 4.03Å; W140-C170 HydrophobicContact CZ2-CB 4.03Å; W140-C170 HydrophobicContact CZ3-CB 3.94Å; C170-F180 CarbonylContact O-C 3.56Å; C170-F180 WeakPolarHBondContact O-CA 3.48Å; C170-S181 PolarHBondContact N-OG 2.83Å; C170-S181 PolarHBondContact O-N 2.88Å
171	R	95	Very high	91.7	Very high	65 Å²	65	55.5 Å²	55.5	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.8	165.3	-175	-177.7	63.7	-159.7	-7.8	108.2	Y138 Q139 F141 E146 N173 F180	Y138-R171 WeakPolarHBondContact CA-O 3.29Å; Q139-R171 PolarHBondContact N-O 2.84Å; Q139-R171 PolarHBondContact O-N 2.95Å; F141-R171 HydrophobicContact CD2-CB 4.25Å; F141-R171 HydrophobicContact CE2-CB 3.64Å; E146-R171 IonicContact OE1-NH2 4Å; R171-N173 PolarHBondContact NE-ND2 2.9Å; R171-F180 HydrophobicContact CB-CD1 3.89Å; R171-F180 HydrophobicContact CB-CE1 3.57Å; R171-F180 HydrophobicContact CB-CZ 4.12Å; R171-F180 HydrophobicContact CG-CD1 4.27Å; R171-F180 HydrophobicContact CG-CE1 3.81Å; R171-F180 HydrophobicContact CG-CE2 4.28Å; R171-F180 HydrophobicContact CG-CZ 3.8Å
172	V	95.6	Very high	91.7	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127	176.6	-172.1	0	0	0	0	108.7	L107 I109 A130 V136 Q137 Y138 C178 E179	L107-V172 HydrophobicContact CD1-CG1 3.77Å; L107-V172 HydrophobicContact CD2-CB 4.31Å; L107-V172 HydrophobicContact CD2-CG1 4.18Å; L107-V172 VanDerWaalsContact CD2-O 3.22Å; L107-V172 WeakPolarHBondContact CD2-O 3.42Å; L107-V172 HydrophobicContact CG-CG1 4.49Å; I109-V172 HydrophobicContact CD1-CG2 3.94Å; I109-V172 HydrophobicContact CG1-CG2 4.12Å; A130-V172 HydrophobicContact CB-CB 4.43Å; A130-V172 HydrophobicContact CB-CG1 3.61Å; A130-V172 HydrophobicContact CB-CG2 4.25Å; V136-V172 HydrophobicContact CG1-CG1 3.19Å; Q137-V172 WeakPolarHBondContact O-CA 3.46Å; Y138-V172 HydrophobicContact CD1-CG1 4.5Å; Y138-V172 HydrophobicContact CD1-CG2 3.95Å; Y138-V172 HydrophobicContact CE1-CG1 4.24Å; Y138-V172 HydrophobicContact CE1-CG2 4.02Å; V172-C178 WeakPolarHBondContact O-CA 3.39Å; V172-E179 PolarHBondContact N-O 2.84Å; V172-E179 PolarHBondContact O-N 2.9Å
173	N	91.9	Very high	91.9	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142	177	-62.1	-32	0	0	0	110.2	V136 Q137 R171 A177 C178	V136-N173 WeakPolarHBondContact CA-O 3.5Å; Q137-N173 HydrophobicContact CB-CB 4.4Å; Q137-N173 PolarHBondContact N-O 2.86Å; Q137-N173 PolarHBondContact O-N 3.04Å; R171-N173 PolarHBondContact NE-ND2 2.9Å; N173-A177 CarbonylContact C-O 3.49Å; N173-A177 WeakPolarHBondContact CA-O 3.28Å; N173-C178 PolarHBondContact OD1-SG 3.39Å
174	C	89.9	Confident	92	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.054	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	94.4	174.3	171.4	0	0	0	0	109.4	L107 G132 K133 S134 D176 A177	L107-C174 HydrophobicContact CB-CB 4.31Å; L107-C174 HydrophobicContact CD1-CB 3.83Å; L107-C174 HydrophobicContact CD2-CB 4.28Å; L107-C174 HydrophobicContact CG-CB 4.37Å; G132-C174 VanDerWaalsContact CA-SG 3.58Å; K133-C174 PolarHBondContact N-SG 3.45Å; K133-C174 VanDerWaalsContact N-SG 3.41Å; S134-C174 PolarHBondContact N-SG 2.87Å; S134-C174 PolarHBondContact O-SG 2.8Å; S134-C174 VanDerWaalsContact O-SG 3.41Å; C174-D176 PolarHBondContact O-N 3.12Å; C174-A177 PolarHBondContact N-O 2.83Å; C174-A177 WeakPolarHBondContact O-CB 3.14Å; C174-A177 PolarHBondContact O-N 2.82Å; C174-A177 VanDerWaalsContact O-N 3.14Å
175	G	85.4	Confident	92.1	Very high	59 Å²	59	54.7 Å²	54.7	61%	0.608	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-125.6	-170.6	0	0	0	0	0	110.6	A177	G175-A177 VanDerWaalsContact C-N 3.3Å
176	D	79.8	Confident	92.1	Very high	178 Å²	178	53.2 Å²	53.2	95%	0.952	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.3	177.3	-57.6	-36.2	0	0	0	113.6	C174	C174-D176 PolarHBondContact O-N 3.12Å
177	A	82.1	Confident	92.1	Very high	26 Å²	26	53.9 Å²	53.9	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.5	179.6	0	0	0	0	0	111.3	A106 L107 N173 C174 G175	A106-A177 HydrophobicContact CB-CB 4.19Å; L107-A177 HydrophobicContact CB-CB 3.97Å; L107-A177 HydrophobicContact CD2-CB 4.44Å; N173-A177 CarbonylContact C-O 3.49Å; N173-A177 WeakPolarHBondContact CA-O 3.28Å; C174-A177 PolarHBondContact N-O 2.83Å; C174-A177 WeakPolarHBondContact O-CB 3.14Å; C174-A177 PolarHBondContact O-N 2.82Å; C174-A177 VanDerWaalsContact O-N 3.14Å; G175-A177 VanDerWaalsContact C-N 3.3Å
178	C	87.9	Confident	91.9	Very high	63 Å²	63	49.4 Å²	49.4	43%	0.426	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.7	177.4	175.3	0	0	0	0	109.1	V172 N173	V172-C178 WeakPolarHBondContact O-CA 3.39Å; N173-C178 PolarHBondContact OD1-SG 3.39Å
179	E	90.8	Very high	91.5	Very high	100 Å²	100	49.2 Å²	49.2	47%	0.467	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148	176.4	-78.4	-69.4	172.6	0	0	109.8	L107 I109 V172	L107-E179 HydrophobicContact CB-CG 4.43Å; L107-E179 HydrophobicContact CD2-CB 3.68Å; L107-E179 HydrophobicContact CD2-CG 3.93Å; L107-E179 HydrophobicContact CG-CB 4.12Å; L107-E179 HydrophobicContact CG-CG 4.12Å; I109-E179 HydrophobicContact CD1-CB 4.3Å; V172-E179 PolarHBondContact N-O 2.84Å; V172-E179 PolarHBondContact O-N 2.9Å
180	F	92.8	Very high	90.9	Very high	102 Å²	102	53.4 Å²	53.4	45%	0.447	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.2	175.5	-73.4	-94.2	0	0	0	110.3	I109 I169 C170 R171	I109-F180 VanDerWaalsContact CD1-C 3.48Å; I169-F180 HydrophobicContact CD1-CB 3.75Å; I169-F180 HydrophobicContact CD1-CD1 3.98Å; I169-F180 HydrophobicContact CD1-CG 4.25Å; I169-F180 HydrophobicContact CG1-CB 4.18Å; I169-F180 HydrophobicContact CG1-CD1 4.17Å; C170-F180 CarbonylContact O-C 3.56Å; C170-F180 WeakPolarHBondContact O-CA 3.48Å; R171-F180 HydrophobicContact CB-CD1 3.89Å; R171-F180 HydrophobicContact CB-CE1 3.57Å; R171-F180 HydrophobicContact CB-CZ 4.12Å; R171-F180 HydrophobicContact CG-CD1 4.27Å; R171-F180 HydrophobicContact CG-CE1 3.81Å; R171-F180 HydrophobicContact CG-CE2 4.28Å; R171-F180 HydrophobicContact CG-CZ 3.8Å
181	S	95.3	Very high	90	Very high	7 Å²	7	54.9 Å²	54.9	5%	0.049	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.4	171.4	171.1	78.1	0	0	0	0	111.1	I169 C170	I169-S181 VanDerWaalsContact CD1-O 3.26Å; I169-S181 WeakPolarHBondContact CD1-O 3.34Å; I169-S181 VanDerWaalsContact CG1-O 3.28Å; I169-S181 WeakPolarHBondContact CG1-O 3.41Å; C170-S181 PolarHBondContact N-OG 2.83Å; C170-S181 PolarHBondContact O-N 2.88Å
182	Q	92.3	Very high	88.5	Confident	130 Å²	130	58.7 Å²	58.7	61%	0.607	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-65.7	153.5	162.2	-66.3	-179.9	-4.5	0	0	109.9	Q112 P113 A184	Q112-Q182 HydrophobicContact CG-CG 4.32Å; P113-Q182 WeakPolarHBondContact CG-O 3.37Å; Q182-A184 PolarHBondContact O-N 3.42Å
183	W	94	Very high	86.3	Confident	133 Å²	133	62.8 Å²	62.8	50%	0.504	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-69.3	128.5	172.3	-71.3	98.7	0	0	0	110.2	S143 F167 Y168 I169	S143-W183 WeakPolarHBondContact O-CH2 3.45Å; F167-W183 HydrophobicContact CB-CD2 4.49Å; F167-W183 HydrophobicContact CB-CE3 3.6Å; F167-W183 HydrophobicContact CB-CZ3 3.96Å; Y168-W183 WeakPolarHBondContact O-CA 3.15Å; I169-W183 HydrophobicContact CB-CD2 3.91Å; I169-W183 HydrophobicContact CB-CE3 3.61Å; I169-W183 HydrophobicContact CB-CH2 3.95Å; I169-W183 HydrophobicContact CB-CZ2 4.21Å; I169-W183 HydrophobicContact CB-CZ3 3.65Å; I169-W183 HydrophobicContact CD1-CD2 4.01Å; I169-W183 HydrophobicContact CD1-CG 4.37Å; I169-W183 HydrophobicContact CD1-CH2 4.45Å; I169-W183 HydrophobicContact CD1-CZ2 3.88Å; I169-W183 HydrophobicContact CG1-CD2 4.42Å; I169-W183 HydrophobicContact CG2-CD2 4.47Å; I169-W183 HydrophobicContact CG2-CE3 4.01Å; I169-W183 HydrophobicContact CG2-CH2 3.42Å; I169-W183 VanDerWaalsContact CG2-CH2 3.42Å; I169-W183 HydrophobicContact CG2-CZ2 3.91Å; I169-W183 HydrophobicContact CG2-CZ3 3.48Å; I169-W183 VanDerWaalsContact CG2-CZ3 3.48Å
184	A	94.9	Very high	83.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.2	168.6	0	0	0	0	0	109.7	P113 L126 Y168 Q182	P113-A184 HydrophobicContact CB-CB 3.68Å; P113-A184 HydrophobicContact CG-CB 3.93Å; L126-A184 HydrophobicContact CD1-CB 4.46Å; L126-A184 HydrophobicContact CD2-CB 4.24Å; Y168-A184 PolarHBondContact N-O 2.73Å; Y168-A184 PolarHBondContact O-N 3.06Å; Q182-A184 PolarHBondContact O-N 3.42Å
185	Q	94.6	Very high	81.4	Confident	74 Å²	74	73.1 Å²	73.1	35%	0.346	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.1	173.3	-172.8	178.5	-7.4	0	0	109.9	S115 V116 F167 I236	S115-Q185 CarbonylContact C-O 3.59Å; S115-Q185 WeakPolarHBondContact CA-O 3.5Å; S115-Q185 VanDerWaalsContact CB-O 3.28Å; S115-Q185 WeakPolarHBondContact CB-O 3.34Å; S115-Q185 PolarHBondContact OG-N 3.41Å; V116-Q185 PolarHBondContact N-O 3.39Å; F167-Q185 HydrophobicContact CD1-CB 3.94Å; F167-Q185 HydrophobicContact CD1-CG 4.2Å; F167-Q185 HydrophobicContact CE1-CB 3.74Å; F167-Q185 HydrophobicContact CE1-CG 3.76Å; F167-Q185 HydrophobicContact CZ-CG 4.09Å; Q185-I236 HydrophobicContact CB-CD1 4.18Å; Q185-I236 HydrophobicContact CG-CD1 3.84Å
186	V	94.2	Very high	78.8	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.012	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.8	171.3	178.8	0	0	0	0	107.9	V116 L118 L124 L126 A165 G166 Y168 V188	V116-V186 HydrophobicContact CG1-CG2 4.12Å; V116-V186 WeakPolarHBondContact O-CA 3.44Å; L118-V186 HydrophobicContact CD2-CG1 3.92Å; L124-V186 HydrophobicContact CD1-CG1 4.08Å; L124-V186 HydrophobicContact CD1-CG2 4.03Å; L124-V186 HydrophobicContact CD2-CG1 3.97Å; L124-V186 HydrophobicContact CD2-CG2 4Å; L126-V186 HydrophobicContact CD1-CG2 4Å; L126-V186 HydrophobicContact CD2-CG2 4.27Å; A165-V186 WeakPolarHBondContact CA-O 3.31Å; G166-V186 PolarHBondContact N-O 3.01Å; G166-V186 PolarHBondContact O-N 2.99Å; Y168-V186 HydrophobicContact CD2-CB 4.11Å; Y168-V186 HydrophobicContact CD2-CG2 3.56Å; Y168-V186 HydrophobicContact CE2-CB 3.94Å; Y168-V186 HydrophobicContact CE2-CG2 3.76Å; V186-V188 HydrophobicContact CG1-CG2 4.15Å
187	D	91.8	Very high	76.6	Confident	32 Å²	32	72.2 Å²	72.2	17%	0.171	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.5	171.3	-167.2	19.1	0	0	0	110	V116 A117 L118 I236	V116-D187 PolarHBondContact O-N 3.04Å; A117-D187 WeakPolarHBondContact CA-O 3.22Å; A117-D187 HydrophobicContact CB-CB 4.29Å; L118-D187 PolarHBondContact N-O 2.94Å; D187-I236 HydrophobicContact CB-CD1 3.92Å
188	V	91.7	Very high	74.5	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.012	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.5	-176.5	-175	0	0	0	0	108.6	L118 C120 V160 L162 A165 V186	L118-V188 CarbonylContact O-C 3.56Å; L118-V188 WeakPolarHBondContact O-CA 3.46Å; C120-V188 HydrophobicContact CB-CG1 4.13Å; V160-V188 HydrophobicContact CG1-CG1 4.11Å; V160-V188 HydrophobicContact CG1-CG2 4.47Å; V160-V188 HydrophobicContact CG2-CG2 3.83Å; L162-V188 HydrophobicContact CD2-CB 4.4Å; L162-V188 HydrophobicContact CD2-CG1 4.26Å; L162-V188 WeakPolarHBondContact CD2-O 3.13Å; A165-V188 HydrophobicContact CB-CB 4.27Å; A165-V188 HydrophobicContact CB-CG2 4.05Å; V186-V188 HydrophobicContact CG1-CG2 4.15Å
189	L	88.1	Confident	72.3	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.4	177.7	-66.9	86.4	0	0	0	109.6	A117 L118 I119 C120 V191 A211 I212 V232	A117-L189 HydrophobicContact CB-CD1 4.08Å; L118-L189 PolarHBondContact O-N 2.81Å; I119-L189 CarbonylContact C-O 3.53Å; I119-L189 WeakPolarHBondContact CA-O 3.43Å; I119-L189 HydrophobicContact CG1-CB 4.47Å; C120-L189 PolarHBondContact N-O 3.07Å; L189-V191 HydrophobicContact CB-CG2 4.31Å; L189-A211 HydrophobicContact CD2-CB 4.45Å; L189-I212 HydrophobicContact CD2-CD1 4.13Å; L189-V232 HydrophobicContact CD1-CG1 4.2Å
190	N	85.1	Confident	69.8	Low	103 Å²	103	79 Å²	79	55%	0.551	44%	0.444	S	S	*	.			trans	-98.5	111.2	168.8	-165.9	18.7	0	0	0	108.3	L162	L162-N190 HydrophobicContact CD1-CB 3.97Å; L162-N190 HydrophobicContact CD2-CB 4.01Å; L162-N190 HydrophobicContact CG-CB 4.24Å
191	V	77.6	Confident	67.6	Low	30 Å²	30	82 Å²	82	18%	0.182	45%	0.454	C	S	.	.			trans	-121.1	118.3	178.6	-173	0	0	0	0	107.2	I119 L189 M193 A211 I212	I119-V191 HydrophobicContact CG1-CG2 4.27Å; L189-V191 HydrophobicContact CB-CG2 4.31Å; V191-M193 VanDerWaalsContact C-N 3.29Å; V191-M193 HydrophobicContact CB-CG 4.23Å; V191-M193 HydrophobicContact CG1-CE 4.34Å; V191-M193 HydrophobicContact CG1-CG 3.91Å; V191-M193 HydrophobicContact CG1-SD 4.3Å; V191-M193 PolarHBondContact O-N 2.91Å; V191-A211 HydrophobicContact CG2-CB 4.47Å; V191-I212 HydrophobicContact CG2-CD1 4.15Å; V191-I212 HydrophobicContact CG2-CG1 3.98Å
192	T	62.8	Low	65.1	Low	146 Å²	146	89.1 Å²	89.1	90%	0.896	49%	0.487	S	S	*	.			trans	-70.9	88.4	169.4	6	0	0	0	0	107.8	S194	T192-S194 PolarHBondContact O-N 3.03Å
193	M	49.2	Very low	63.2	Low	85 Å²	85	88 Å²	88	42%	0.419	49%	0.493	S	S	.	.			trans	-81.3	121.2	179.4	-67.4	-104	59.1	0	0	110.1	V191 Y195	V191-M193 VanDerWaalsContact C-N 3.29Å; V191-M193 HydrophobicContact CB-CG 4.23Å; V191-M193 HydrophobicContact CG1-CE 4.34Å; V191-M193 HydrophobicContact CG1-CG 3.91Å; V191-M193 HydrophobicContact CG1-SD 4.3Å; V191-M193 PolarHBondContact O-N 2.91Å; M193-Y195 VanDerWaalsContact C-N 3.27Å; M193-Y195 HydrophobicContact CB-CD2 3.23Å; M193-Y195 HydrophobicContact CB-CE2 3.18Å; M193-Y195 HydrophobicContact CB-CG 4.22Å; M193-Y195 HydrophobicContact CG-CD2 4.01Å; M193-Y195 HydrophobicContact CG-CE2 3.39Å; M193-Y195 PolarHBondContact O-N 2.99Å; M193-Y195 HydrophobicContact SD-CD2 4.35Å; M193-Y195 HydrophobicContact SD-CE1 4.45Å; M193-Y195 HydrophobicContact SD-CE2 3.37Å; M193-Y195 WeakPolarHBondContact SD-CE2 3.33Å; M193-Y195 PolarHBondContact SD-OH 3.46Å
194	S	37.5	Very low	61.4	Low	118 Å²	118	83.1 Å²	83.1	83%	0.825	48%	0.477	S	S	*	.			trans	-73.7	81.8	161	55.6	0	0	0	0	108.9	T192	T192-S194 PolarHBondContact O-N 3.03Å
195	Y	41.4	Very low	59.8	Low	145 Å²	145	88.4 Å²	88.4	57%	0.569	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-91.4	131	172	-80.3	-66.9	0	0	0	111	M193	M193-Y195 VanDerWaalsContact C-N 3.27Å; M193-Y195 HydrophobicContact CB-CD2 3.23Å; M193-Y195 HydrophobicContact CB-CE2 3.18Å; M193-Y195 HydrophobicContact CB-CG 4.22Å; M193-Y195 HydrophobicContact CG-CD2 4.01Å; M193-Y195 HydrophobicContact CG-CE2 3.39Å; M193-Y195 PolarHBondContact O-N 2.99Å; M193-Y195 HydrophobicContact SD-CD2 4.35Å; M193-Y195 HydrophobicContact SD-CE1 4.45Å; M193-Y195 HydrophobicContact SD-CE2 3.37Å; M193-Y195 WeakPolarHBondContact SD-CE2 3.33Å; M193-Y195 PolarHBondContact SD-OH 3.46Å
196	A	31.7	Very low	58.5	Low	82 Å²	82	86 Å²	86	68%	0.678	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.5	150.7	0	0	0	0	0	108.9	G198	A196-G198 PolarHBondContact O-N 3.07Å
197	P	31.9	Very low	57.9	Low	137 Å²	137	93 Å²	93	89%	0.89	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	119	-175	25.1	-30.3	0	0	0	110.4
198	G	39.4	Very low	57.7	Low	79 Å²	79	92 Å²	92	81%	0.814	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.7	-9.4	168.6	0	0	0	0	0	118.7	A196 S200	A196-G198 PolarHBondContact O-N 3.07Å; G198-S200 PolarHBondContact O-N 3.45Å
199	Q	40.2	Very low	57.4	Low	169 Å²	169	97.4 Å²	97.4	79%	0.79	54%	0.544	S	S	*	.			trans	-90.2	110.7	176.8	-66.7	-159.8	11.3	0	0	111.7
200	S	39.7	Very low	57.4	Low	82 Å²	82	99.2 Å²	99.2	57%	0.573	55%	0.554	S	S	*	*			trans	-62.9	146.4	176.7	59.7	0	0	0	0	112.5	G198 Q202	G198-S200 PolarHBondContact O-N 3.45Å; S200-Q202 PolarHBondContact O-N 3.45Å
201	Y	45.1	Very low	57.5	Low	167 Å²	167	95.9 Å²	95.9	66%	0.655	54%	0.54	S	S	*	.			trans	-56.3	75.8	169.7	-56.8	-87.9	0	0	0	112.3	S203	Y201-S203 PolarHBondContact O-N 2.91Å
202	Q	44	Very low	57.9	Low	155 Å²	155	96 Å²	96	72%	0.724	54%	0.539	S	S	*	.			trans	-73.3	128.1	174.3	-72.3	-173.6	-10.8	0	0	108.6	S200 I204	S200-Q202 PolarHBondContact O-N 3.45Å; Q202-I204 PolarHBondContact O-N 2.97Å
203	S	52.4	Low	59.1	Low	107 Å²	107	93.7 Å²	93.7	75%	0.748	52%	0.518	S	S	*	.			trans	-49.6	131.9	179	63.9	0	0	0	0	110.5	Y201 D205	Y201-S203 PolarHBondContact O-N 2.91Å; S203-D205 PolarHBondContact O-N 3.04Å
204	I	56.7	Low	61.1	Low	30 Å²	30	89.8 Å²	89.8	15%	0.154	50%	0.499	C	S	.	.			trans	-56.9	113.1	170.5	-61.2	161.5	0	0	0	107.1	L118 Q202 G206 V232	L118-I204 HydrophobicContact CB-CD1 3.65Å; Q202-I204 PolarHBondContact O-N 2.97Å; I204-G206 PolarHBondContact O-N 2.85Å; I204-V232 HydrophobicContact CD1-CB 4.11Å; I204-V232 HydrophobicContact CD1-CG1 4.47Å; I204-V232 HydrophobicContact CD1-CG2 4.34Å
205	D	60.6	Low	63.6	Low	111 Å²	111	91.4 Å²	91.4	59%	0.594	49%	0.494	S	S	*	.			trans	-64.1	28	177.6	-175.1	38.6	0	0	0	113.2	S203 R207	S203-D205 PolarHBondContact O-N 3.04Å; D205-R207 PolarHBondContact O-N 3.16Å; D205-R207 IonicContact OD2-CZ 3.89Å; D205-R207 IonicContact OD2-NE 2.68Å; D205-R207 PolarHBondContact OD2-NE 2.91Å; D205-R207 VanDerWaalsContact OD2-NE 3.12Å; D205-R207 IonicContact OD2-NH2 3.16Å
206	G	68.2	Low	65.8	Low	23 Å²	23	87.9 Å²	87.9	24%	0.237	49%	0.49	C	S	.	.	S	Bend	trans	68.6	-19	-174.5	0	0	0	0	0	115.9	I204 R234	I204-G206 PolarHBondContact O-N 2.85Å; G206-R234 PolarHBondContact O-N 2.73Å; G206-R234 VanDerWaalsContact O-O 3.13Å
207	R	81.1	Confident	68.4	Low	149 Å²	149	86.3 Å²	86.3	56%	0.562	47%	0.469	S	S	*	.			trans	-64.8	149.4	-177.4	-58.6	-171	-168.6	-150	-5	113.8	D205 K209	D205-R207 PolarHBondContact O-N 3.16Å; D205-R207 IonicContact OD2-CZ 3.89Å; D205-R207 IonicContact OD2-NE 2.68Å; D205-R207 PolarHBondContact OD2-NE 2.91Å; D205-R207 VanDerWaalsContact OD2-NE 3.12Å; D205-R207 IonicContact OD2-NH2 3.16Å; R207-K209 PolarHBondContact O-N 2.85Å
208	L	86.4	Confident	70.9	Confident	11 Å²	11	86.8 Å²	86.8	6%	0.058	45%	0.453	C	S	.	.			trans	-68.7	125.4	173.7	-173.1	63.9	0	0	0	109.4	A231 V232 P237 I273 E278 M280	L208-A231 HydrophobicContact CD1-CB 3.99Å; L208-V232 WeakPolarHBondContact CA-O 3.47Å; L208-P237 HydrophobicContact CD1-CB 3.74Å; L208-P237 HydrophobicContact CD1-CG 3.51Å; L208-I273 HydrophobicContact CD1-CG2 3.96Å; L208-I273 HydrophobicContact CD2-CG2 4.17Å; L208-E278 HydrophobicContact CB-CB 4.22Å; L208-E278 WeakPolarHBondContact CB-OE2 3.37Å; L208-E278 HydrophobicContact CD2-CB 4.23Å; L208-E278 PolarHBondContact N-OE2 3.39Å; L208-M280 HydrophobicContact CD2-CB 4.33Å; L208-M280 HydrophobicContact CD2-CG 4.1Å; L208-M280 HydrophobicContact CD2-SD 4.25Å; L208-M280 HydrophobicContact CG-SD 4.08Å
209	K	86.6	Confident	72.8	Confident	117 Å²	117	83.9 Å²	83.9	51%	0.509	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.9	174.4	-62.7	-176.8	179.6	-177.5	0	110.6	R207 A231 V232	R207-K209 PolarHBondContact O-N 2.85Å; K209-A231 CarbonylContact O-C 3.54Å; K209-A231 WeakPolarHBondContact O-CA 3.46Å; K209-A231 VanDerWaalsContact O-CB 3.31Å; K209-A231 WeakPolarHBondContact O-CB 3.42Å; K209-V232 HydrophobicContact CB-CG2 3.79Å; K209-V232 PolarHBondContact N-O 2.66Å; K209-V232 PolarHBondContact O-N 3.12Å
210	L	87.5	Confident	74.8	Confident	38 Å²	38	79.8 Å²	79.8	20%	0.199	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131	176	-166.9	55.8	0	0	0	110.1	H213 G230 A231 I273 M280 T282	L210-H213 WeakPolarHBondContact CD2-CE1 3.4Å; L210-H213 VanDerWaalsContact CD2-NE2 3.3Å; L210-H213 WeakPolarHBondContact CD2-NE2 3.21Å; L210-G230 WeakPolarHBondContact CD1-O 3.42Å; L210-A231 HydrophobicContact CD1-CB 4.39Å; L210-I273 HydrophobicContact CD1-CD1 3.31Å; L210-M280 HydrophobicContact CB-CE 3.78Å; L210-T282 HydrophobicContact CD1-CG2 4.23Å; L210-T282 HydrophobicContact CD2-CG2 4.32Å
211	A	86.5	Confident	76.6	Confident	32 Å²	32	78.4 Å²	78.4	26%	0.264	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-31.3	-176.4	0	0	0	0	0	112.9	I119 L189 V191 G230	I119-A211 HydrophobicContact CD1-CB 4.32Å; L189-A211 HydrophobicContact CD2-CB 4.45Å; V191-A211 HydrophobicContact CG2-CB 4.47Å; A211-G230 CarbonylContact C-O 3.57Å; A211-G230 WeakPolarHBondContact CA-O 3.32Å; A211-G230 PolarHBondContact N-O 2.99Å
212	I	86.9	Confident	78.3	Confident	33 Å²	33	71.6 Å²	71.6	17%	0.169	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.8	178.6	-54.7	173.6	0	0	0	108.6	L189 V191 E228 C229 G230	L189-I212 HydrophobicContact CD2-CD1 4.13Å; V191-I212 HydrophobicContact CG2-CD1 4.15Å; V191-I212 HydrophobicContact CG2-CG1 3.98Å; I212-E228 HydrophobicContact CG2-CG 4.26Å; I212-C229 WeakPolarHBondContact O-CA 3.39Å; I212-G230 PolarHBondContact N-O 2.74Å; I212-G230 PolarHBondContact O-N 3.12Å
213	H	87.9	Confident	80.2	Confident	97 Å²	97	66.9 Å²	66.9	45%	0.449	35%	0.346	S	S	.	.			trans	-96.8	143	172	-79.4	-92.8	0	0	0	109.9	L210 E228 N283	L210-H213 WeakPolarHBondContact CD2-CE1 3.4Å; L210-H213 VanDerWaalsContact CD2-NE2 3.3Å; L210-H213 WeakPolarHBondContact CD2-NE2 3.21Å; H213-E228 CarbonylContact C-O 3.54Å; H213-N283 VanDerWaalsContact CB-OD1 3.26Å; H213-N283 WeakPolarHBondContact CB-OD1 3.46Å; H213-N283 PolarHBondContact ND1-OD1 2.77Å
214	P	92.1	Very high	82	Confident	4 Å²	4	65 Å²	65	3%	0.026	33%	0.33	C	S	.	.			trans	-61.9	156.8	168.3	24.6	-30.1	0	0	0	111.3	E228 W241 T282 N283 V285	P214-E228 WeakPolarHBondContact CA-O 3.08Å; P214-E228 VanDerWaalsContact N-O 3.16Å; P214-W241 HydrophobicContact CB-CH2 3.87Å; P214-W241 HydrophobicContact CB-CZ3 4.1Å; P214-W241 HydrophobicContact CG-CH2 4.17Å; P214-W241 HydrophobicContact CG-CZ3 4.18Å; P214-T282 HydrophobicContact CG-CG2 4.41Å; P214-N283 WeakPolarHBondContact CD-OD1 3.19Å; P214-N283 PolarHBondContact O-ND2 3.33Å; P214-V285 HydrophobicContact CB-CG1 3.97Å; P214-V285 HydrophobicContact CB-CG2 3.83Å; P214-V285 HydrophobicContact CG-CG1 3.94Å; P214-V285 HydrophobicContact CG-CG2 4.12Å; P214-V285 WeakPolarHBondContact O-CG1 3.33Å
215	Q	89.8	Confident	83.7	Confident	152 Å²	152	63.6 Å²	63.6	71%	0.71	32%	0.323	S	S	*	.			trans	-116.9	143.9	174.8	-65.8	-179.5	-21.1	0	0	109.3	L227	Q215-L227 WeakPolarHBondContact O-CD2 3.03Å
216	S	87	Confident	85.3	Confident	70 Å²	70	62.2 Å²	62.2	49%	0.49	31%	0.313	S	S	.	.			trans	-60.4	144.2	173.3	-60.2	0	0	0	0	110.3	D286	S216-D286 CarbonylContact C-O 3.54Å; S216-D286 WeakPolarHBondContact CA-O 3.5Å; S216-D286 WeakPolarHBondContact CB-O 3.36Å; S216-D286 PolarHBondContact OG-N 2.83Å; S216-D286 VanDerWaalsContact OG-N 3.12Å
217	Q	87.1	Confident	86.6	Confident	49 Å²	49	61.1 Å²	61.1	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.6	179.4	-72.3	-176.5	11.4	0	0	110.5	L219 L225 Q226 L227 D286 V287 V288	Q217-L219 HydrophobicContact CB-CD1 4.41Å; Q217-L219 HydrophobicContact CB-CG 4.28Å; Q217-L225 HydrophobicContact CB-CD1 4.17Å; Q217-Q226 PolarHBondContact NE2-O 3.44Å; Q217-L227 HydrophobicContact CG-CD2 4.38Å; Q217-D286 PolarHBondContact N-O 3.18Å; Q217-V287 CarbonylContact O-C 3.54Å; Q217-V287 WeakPolarHBondContact O-CA 3.34Å; Q217-V288 PolarHBondContact O-N 3.04Å
218	R	82.9	Confident	87.2	Confident	147 Å²	147	56.3 Å²	56.3	56%	0.555	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.7	166.9	-59.3	-172.5	-176.2	-158.3	-3.1	107.6	V288 E325	R218-V288 WeakPolarHBondContact CA-O 3.46Å; R218-V288 HydrophobicContact CG-CB 4.27Å; R218-E325 VanDerWaalsContact CZ-CD 3.48Å; R218-E325 IonicContact CZ-OE1 3.12Å; R218-E325 IonicContact CZ-OE2 2.66Å; R218-E325 IonicContact NE-OE1 3.1Å; R218-E325 PolarHBondContact NE-OE1 3.5Å; R218-E325 IonicContact NE-OE2 3.12Å; R218-E325 IonicContact NH2-OE1 3.93Å; R218-E325 PolarHBondContact NH2-OE1 3.15Å; R218-E325 IonicContact NH2-OE2 3.92Å; R218-E325 PolarHBondContact NH2-OE2 3.35Å
219	L	80.8	Confident	87.5	Confident	18 Å²	18	55.8 Å²	55.8	9%	0.094	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.9	-175.3	-62.2	167.1	0	0	0	109	Q217 E223 L225 V261 V287 V288 I289 A290	Q217-L219 HydrophobicContact CB-CD1 4.41Å; Q217-L219 HydrophobicContact CB-CG 4.28Å; L219-E223 VanDerWaalsContact CA-OE2 3.32Å; L219-E223 WeakPolarHBondContact CA-OE2 3.43Å; L219-E223 HydrophobicContact CB-CB 4.27Å; L219-E223 HydrophobicContact CD2-CB 4.28Å; L219-L225 HydrophobicContact CD1-CB 3.47Å; L219-L225 VanDerWaalsContact CD1-CB 3.47Å; L219-L225 HydrophobicContact CD1-CD1 3.58Å; L219-L225 HydrophobicContact CD1-CG 4.14Å; L219-V261 HydrophobicContact CB-CG2 3.98Å; L219-V261 HydrophobicContact CD1-CG1 4.15Å; L219-V261 HydrophobicContact CD1-CG2 4.4Å; L219-V287 HydrophobicContact CD1-CG1 4.43Å; L219-V288 PolarHBondContact N-O 3.15Å; L219-I289 CarbonylContact O-C 3.58Å; L219-I289 WeakPolarHBondContact O-CA 3.47Å; L219-A290 PolarHBondContact O-N 3Å
220	H	82.2	Confident	87.7	Confident	84 Å²	84	50.2 Å²	50.2	39%	0.389	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	157.3	168.6	-55.9	86.6	0	0	0	111.8	G222 E223 V261 A290 R292	H220-G222 PolarHBondContact O-N 2.58Å; H220-E223 HydrophobicContact CB-CG 4.3Å; H220-E223 IonicContact CG-OE1 3.27Å; H220-E223 PolarHBondContact N-OE2 2.87Å; H220-E223 IonicContact ND1-OE1 2.99Å; H220-E223 PolarHBondContact ND1-OE1 2.77Å; H220-E223 IonicContact ND1-OE2 3.89Å; H220-E223 VanDerWaalsContact O-CB 3.27Å; H220-E223 WeakPolarHBondContact O-CB 3.39Å; H220-E223 PolarHBondContact O-N 3.43Å; H220-V261 WeakPolarHBondContact O-CG2 3.27Å; H220-A290 CarbonylContact C-O 3.56Å; H220-A290 WeakPolarHBondContact CA-O 3.06Å; H220-R292 HydrophobicContact CB-CB 4.47Å; H220-R292 HydrophobicContact CB-CG 3.4Å
221	V	77.8	Confident	87.9	Confident	52 Å²	52	48.5 Å²	48.5	32%	0.315	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	126.3	174.9	174.9	0	0	0	0	110.2	V261 I289 A290 R292	V221-V261 CarbonylContact C-O 3.44Å; V221-V261 WeakPolarHBondContact CA-O 3.49Å; V221-I289 HydrophobicContact CG2-CG2 3.77Å; V221-A290 PolarHBondContact N-O 2.77Å; V221-R292 WeakPolarHBondContact O-CD 3.34Å; V221-R292 WeakPolarHBondContact O-CG 3.4Å; V221-R292 PolarHBondContact O-NE 3.39Å
222	G	79.4	Confident	88.1	Confident	25 Å²	25	47.2 Å²	47.2	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-6.6	-176.3	0	0	0	0	0	115.1	H220 V261	H220-G222 PolarHBondContact O-N 2.58Å; G222-V261 PolarHBondContact N-O 3.22Å
223	E	84.2	Confident	88.2	Confident	55 Å²	55	45.7 Å²	45.7	26%	0.257	23%	0.231	S	C	.	.	S	Bend	trans	-77.3	174.3	169.9	-68.6	179.7	175.5	0	0	112	L219 H220 Q260 V261 R292	L219-E223 VanDerWaalsContact CA-OE2 3.32Å; L219-E223 WeakPolarHBondContact CA-OE2 3.43Å; L219-E223 HydrophobicContact CB-CB 4.27Å; L219-E223 HydrophobicContact CD2-CB 4.28Å; H220-E223 HydrophobicContact CB-CG 4.3Å; H220-E223 IonicContact CG-OE1 3.27Å; H220-E223 PolarHBondContact N-OE2 2.87Å; H220-E223 IonicContact ND1-OE1 2.99Å; H220-E223 PolarHBondContact ND1-OE1 2.77Å; H220-E223 IonicContact ND1-OE2 3.89Å; H220-E223 VanDerWaalsContact O-CB 3.27Å; H220-E223 WeakPolarHBondContact O-CB 3.39Å; H220-E223 PolarHBondContact O-N 3.43Å; E223-Q260 CarbonylContact O-C 3.55Å; E223-Q260 WeakPolarHBondContact O-CA 3.5Å; E223-Q260 PolarHBondContact O-N 3.49Å; E223-V261 HydrophobicContact CB-CG2 4.43Å; E223-V261 WeakPolarHBondContact O-CG1 3.33Å; E223-V261 WeakPolarHBondContact O-CG2 3.21Å; E223-V261 PolarHBondContact O-N 3.09Å; E223-R292 IonicContact OE1-NH2 3.39Å
224	T	89.4	Confident	88.2	Confident	68 Å²	68	44.1 Å²	44.1	42%	0.417	22%	0.221	S	C	.	.			trans	-107.4	118.9	-179.3	-61.7	0	0	0	0	110	M257 I258	T224-M257 HydrophobicContact CG2-CE 3.43Å; T224-M257 VanDerWaalsContact CG2-CE 3.43Å; T224-I258 WeakPolarHBondContact CA-O 3.2Å
225	L	93.1	Very high	88	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.8	169.8	173.4	66.4	0	0	0	109.7	Q217 L219 L227 M257 I258 V261 Y269 V287	Q217-L225 HydrophobicContact CB-CD1 4.17Å; L219-L225 HydrophobicContact CD1-CB 3.47Å; L219-L225 VanDerWaalsContact CD1-CB 3.47Å; L219-L225 HydrophobicContact CD1-CD1 3.58Å; L219-L225 HydrophobicContact CD1-CG 4.14Å; L225-L227 HydrophobicContact CD1-CD2 3.96Å; L225-L227 HydrophobicContact CD1-CG 3.85Å; L225-L227 HydrophobicContact CG-CG 4.22Å; L225-M257 CarbonylContact O-C 3.57Å; L225-M257 VanDerWaalsContact O-CA 3.27Å; L225-M257 WeakPolarHBondContact O-CA 3.45Å; L225-I258 HydrophobicContact CB-CB 4.15Å; L225-I258 HydrophobicContact CD2-CB 4.5Å; L225-I258 HydrophobicContact CD2-CD1 3.87Å; L225-I258 HydrophobicContact CD2-CG1 4.18Å; L225-I258 PolarHBondContact N-O 3.01Å; L225-I258 PolarHBondContact O-N 2.65Å; L225-V261 HydrophobicContact CB-CG1 3.53Å; L225-Y269 HydrophobicContact CD2-CE1 4.22Å; L225-V287 HydrophobicContact CD1-CB 4.25Å; L225-V287 HydrophobicContact CD1-CG1 3.6Å; L225-V287 HydrophobicContact CD1-CG2 3.59Å; L225-V287 HydrophobicContact CD2-CG1 3.92Å; L225-V287 HydrophobicContact CD2-CG2 4.13Å; L225-V287 HydrophobicContact CG-CG1 4.32Å
226	Q	95.3	Very high	88	Confident	82 Å²	82	39.8 Å²	39.8	38%	0.383	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	91.5	174.4	177	167.8	-34.9	0	0	110.8	Q217 L256 M257	Q217-Q226 PolarHBondContact NE2-O 3.44Å; Q226-L256 CarbonylContact C-O 3.5Å; Q226-L256 WeakPolarHBondContact CA-O 3.06Å; Q226-M257 HydrophobicContact CB-CE 4.06Å; Q226-M257 HydrophobicContact CB-SD 3.44Å; Q226-M257 WeakPolarHBondContact CB-SD 3.41Å; Q226-M257 VanDerWaalsContact CD-SD 3.57Å; Q226-M257 HydrophobicContact CG-CE 4.3Å; Q226-M257 HydrophobicContact CG-SD 3.3Å; Q226-M257 WeakPolarHBondContact CG-SD 3.39Å; Q226-M257 PolarHBondContact OE1-SD 2.85Å; Q226-M257 VanDerWaalsContact OE1-SD 3.38Å
227	L	94.6	Very high	88.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.1	170	-59.1	180	0	0	0	110.6	Q215 Q217 L225 W241 K255 L256 Y269 V285 V287	Q215-L227 WeakPolarHBondContact O-CD2 3.03Å; Q217-L227 HydrophobicContact CG-CD2 4.38Å; L225-L227 HydrophobicContact CD1-CD2 3.96Å; L225-L227 HydrophobicContact CD1-CG 3.85Å; L225-L227 HydrophobicContact CG-CG 4.22Å; L227-W241 HydrophobicContact CB-CH2 3.53Å; L227-W241 HydrophobicContact CB-CZ2 4.06Å; L227-W241 HydrophobicContact CB-CZ3 3.82Å; L227-W241 HydrophobicContact CD1-CE3 4.31Å; L227-W241 HydrophobicContact CD1-CH2 4.41Å; L227-W241 HydrophobicContact CD1-CZ3 3.84Å; L227-K255 CarbonylContact O-C 3.28Å; L227-K255 WeakPolarHBondContact O-CA 3.43Å; L227-L256 HydrophobicContact CB-CB 4.28Å; L227-L256 HydrophobicContact CD1-CD2 4.35Å; L227-L256 PolarHBondContact N-O 2.95Å; L227-L256 PolarHBondContact O-N 3.32Å; L227-Y269 HydrophobicContact CD1-CD1 3.88Å; L227-Y269 HydrophobicContact CD1-CD2 4.35Å; L227-Y269 HydrophobicContact CD1-CG 3.63Å; L227-V285 HydrophobicContact CD1-CG2 4.04Å; L227-V285 HydrophobicContact CD2-CG2 4.19Å; L227-V287 HydrophobicContact CD1-CG2 3.86Å; L227-V287 HydrophobicContact CD2-CG2 4.07Å; L227-V287 HydrophobicContact CG-CG2 4.29Å
228	E	93.4	Very high	88.6	Confident	49 Å²	49	43.6 Å²	43.6	23%	0.229	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.8	176.7	-177.8	165.4	-165.5	0	0	110.9	I212 H213 P214 R254 K255	I212-E228 HydrophobicContact CG2-CG 4.26Å; H213-E228 CarbonylContact C-O 3.54Å; P214-E228 WeakPolarHBondContact CA-O 3.08Å; P214-E228 VanDerWaalsContact N-O 3.16Å; E228-R254 WeakPolarHBondContact CA-O 3.46Å; E228-R254 IonicContact OE1-CZ 3.18Å; E228-R254 VanDerWaalsContact OE1-CZ 3.29Å; E228-R254 IonicContact OE1-NE 3.63Å; E228-R254 PolarHBondContact OE1-NE 2.79Å; E228-R254 IonicContact OE1-NH2 3.99Å; E228-R254 PolarHBondContact OE1-NH2 3.48Å; E228-K255 HydrophobicContact CB-CG 4.09Å; E228-K255 HydrophobicContact CG-CG 3.97Å; E228-K255 WeakPolarHBondContact OE1-CE 3.38Å; E228-K255 WeakPolarHBondContact OE2-CE 3.14Å; E228-K255 IonicContact OE2-NZ 2.97Å
229	C	93.1	Very high	89.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.			trans	-132.5	158.9	166.1	64.7	0	0	0	0	108.5	I212 Y239 W241 R254 C271 T282	I212-C229 WeakPolarHBondContact O-CA 3.39Å; C229-Y239 WeakPolarHBondContact SG-CD1 3.41Å; C229-W241 HydrophobicContact CB-CH2 4.03Å; C229-W241 HydrophobicContact CB-CZ2 4.01Å; C229-W241 WeakPolarHBondContact SG-CZ2 3.35Å; C229-R254 PolarHBondContact N-O 2.84Å; C229-R254 WeakPolarHBondContact O-CB 3.43Å; C229-R254 PolarHBondContact SG-O 2.96Å; C229-C271 HydrophobicContact CB-CB 4.17Å; C229-C271 VanDerWaalsContact SG-CB 3.56Å; C229-C271 PolarHBondContact SG-SG 3.44Å; C229-T282 HydrophobicContact CB-CG2 3.77Å
230	G	90.9	Very high	90	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	129.8	-175.6	0	0	0	0	0	111.6	L210 A211 I212	L210-G230 WeakPolarHBondContact CD1-O 3.42Å; A211-G230 CarbonylContact C-O 3.57Å; A211-G230 WeakPolarHBondContact CA-O 3.32Å; A211-G230 PolarHBondContact N-O 2.99Å; I212-G230 PolarHBondContact N-O 2.74Å; I212-G230 PolarHBondContact O-N 3.12Å
231	A	90.9	Very high	90.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.3	175.8	0	0	0	0	0	110.8	A117 L208 K209 L210 P237 Y239 I273	A117-A231 WeakPolarHBondContact CB-O 3.3Å; L208-A231 HydrophobicContact CD1-CB 3.99Å; K209-A231 CarbonylContact O-C 3.54Å; K209-A231 WeakPolarHBondContact O-CA 3.46Å; K209-A231 VanDerWaalsContact O-CB 3.31Å; K209-A231 WeakPolarHBondContact O-CB 3.42Å; L210-A231 HydrophobicContact CD1-CB 4.39Å; A231-P237 HydrophobicContact CB-CB 4.23Å; A231-P237 HydrophobicContact CB-CG 4.06Å; A231-Y239 PolarHBondContact N-OH 3.17Å; A231-Y239 PolarHBondContact O-OH 2.98Å; A231-I273 HydrophobicContact CB-CD1 4.22Å; A231-I273 HydrophobicContact CB-CG2 3.76Å
232	V	90.7	Very high	91.6	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.1	170.9	-64.3	0	0	0	0	110.1	A117 I119 L189 I204 L208 K209	A117-V232 WeakPolarHBondContact O-CA 3.43Å; A117-V232 WeakPolarHBondContact O-CB 3.49Å; I119-V232 HydrophobicContact CD1-CG1 4.17Å; I119-V232 HydrophobicContact CG1-CG1 3.76Å; L189-V232 HydrophobicContact CD1-CG1 4.2Å; I204-V232 HydrophobicContact CD1-CB 4.11Å; I204-V232 HydrophobicContact CD1-CG1 4.47Å; I204-V232 HydrophobicContact CD1-CG2 4.34Å; L208-V232 WeakPolarHBondContact CA-O 3.47Å; K209-V232 HydrophobicContact CB-CG2 3.79Å; K209-V232 PolarHBondContact N-O 2.66Å; K209-V232 PolarHBondContact O-N 3.12Å
233	G	89	Confident	92.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	169.1	164.8	-179.5	0	0	0	0	0	114.6	A117 P235	A117-G233 PolarHBondContact N-O 2.86Å; A117-G233 PolarHBondContact O-N 3Å; G233-P235 CarbonylContact C-O 3.58Å; G233-P235 VanDerWaalsContact C-O 3.23Å
234	R	88.5	Confident	92.8	Very high	64 Å²	64	37.5 Å²	37.5	24%	0.242	17%	0.173	C	C	.	.	S	Bend	trans	-132.8	108.7	173.2	-63.5	175.4	179	-115.3	5.3	108.9	V116 R125 G206	V116-R234 HydrophobicContact CB-CG 3.89Å; V116-R234 HydrophobicContact CG2-CG 3.44Å; V116-R234 VanDerWaalsContact CG2-CG 3.44Å; R125-R234 PolarHBondContact O-NH1 3.34Å; G206-R234 PolarHBondContact O-N 2.73Å; G206-R234 VanDerWaalsContact O-O 3.13Å
235	P	88.8	Confident	92.8	Very high	33 Å²	33	36.4 Å²	36.4	21%	0.214	18%	0.175	C	C	.	.	S	Bend	cis	-67.1	168.3	5.9	-10.9	19.8	0	0	0	115.2	Q114 S115 G233 S275 S276	Q114-P235 HydrophobicContact CG-CB 4.44Å; Q114-P235 VanDerWaalsContact NE2-CG 3.28Å; S115-P235 CarbonylContact O-C 3.57Å; S115-P235 WeakPolarHBondContact O-CA 3.41Å; G233-P235 CarbonylContact C-O 3.58Å; G233-P235 VanDerWaalsContact C-O 3.23Å; P235-S275 WeakPolarHBondContact CD-OG 3.39Å; P235-S276 WeakPolarHBondContact CG-OG 3.4Å
236	I	89.8	Confident	92.8	Very high	33 Å²	33	41 Å²	41	17%	0.169	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-52.4	129.2	174.4	-167.5	168	0	0	0	111.3	S115 A117 Q185 D187	S115-I236 VanDerWaalsContact CB-CG2 3.48Å; S115-I236 PolarHBondContact O-N 2.92Å; A117-I236 HydrophobicContact CB-CG1 4.25Å; Q185-I236 HydrophobicContact CB-CD1 4.18Å; Q185-I236 HydrophobicContact CG-CD1 3.84Å; D187-I236 HydrophobicContact CB-CD1 3.92Å
237	P	92.8	Very high	92.9	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.052	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-65.1	145	-179.5	-23	34.7	0	0	0	113.1	A117 L208 A231 Y239 I273	A117-P237 HydrophobicContact CB-CG 4.3Å; L208-P237 HydrophobicContact CD1-CB 3.74Å; L208-P237 HydrophobicContact CD1-CG 3.51Å; A231-P237 HydrophobicContact CB-CB 4.23Å; A231-P237 HydrophobicContact CB-CG 4.06Å; P237-Y239 HydrophobicContact CB-CE2 4.35Å; P237-Y239 WeakPolarHBondContact O-CE2 3.41Å; P237-I273 HydrophobicContact CB-CG2 3.81Å
238	R	93.9	Very high	92.8	Very high	191 Å²	191	41.9 Å²	41.9	72%	0.721	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	146	171	-62.9	-179.9	-178.9	174.1	-0.1	109.7	I273 S274	R238-I273 CarbonylContact O-C 3.58Å; R238-I273 VanDerWaalsContact O-CA 3.31Å; R238-I273 WeakPolarHBondContact O-CA 3.48Å; R238-S274 PolarHBondContact N-O 3.45Å; R238-S274 PolarHBondContact O-N 3.06Å
239	Y	95.5	Very high	92.8	Very high	20 Å²	20	44.7 Å²	44.7	8%	0.078	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148	-175.5	-57.8	-91.5	0	0	0	110.1	C229 A231 P237 T252 R254 E272 I273	C229-Y239 WeakPolarHBondContact SG-CD1 3.41Å; A231-Y239 PolarHBondContact N-OH 3.17Å; A231-Y239 PolarHBondContact O-OH 2.98Å; P237-Y239 HydrophobicContact CB-CE2 4.35Å; P237-Y239 WeakPolarHBondContact O-CE2 3.41Å; Y239-T252 CarbonylContact O-C 3.54Å; Y239-T252 WeakPolarHBondContact O-CA 3.39Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; Y239-R254 HydrophobicContact CD2-CB 4.49Å; Y239-R254 HydrophobicContact CE2-CB 4.27Å; Y239-E272 CarbonylContact C-O 3.6Å; Y239-E272 WeakPolarHBondContact CA-O 3.48Å; Y239-I273 HydrophobicContact CD1-CD1 4.24Å; Y239-I273 HydrophobicContact CD1-CG1 3.72Å; Y239-I273 HydrophobicContact CD1-CG2 4.49Å; Y239-I273 HydrophobicContact CE1-CD1 4.02Å; Y239-I273 HydrophobicContact CE1-CG1 3.91Å; Y239-I273 HydrophobicContact CE1-CG2 4.26Å
240	Q	97	Very high	92.6	Very high	46 Å²	46	52 Å²	52	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	117.7	167.9	176	59.3	65.4	0	0	108.6	H242 P247 I248 C271 E272	Q240-H242 PolarHBondContact O-CD2 2.83Å; Q240-P247 HydrophobicContact CG-CB 4.24Å; Q240-I248 PolarHBondContact NE2-O 2.82Å; Q240-C271 WeakPolarHBondContact O-CA 3.34Å; Q240-E272 HydrophobicContact CB-CB 4.45Å; Q240-E272 PolarHBondContact N-O 3.35Å; Q240-E272 PolarHBondContact O-N 3Å
241	W	97.6	Very high	92.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.4	175.9	-69.7	89.2	0	0	0	111.7	P214 L227 C229 I248 A251 K253 R254 L256 C271	P214-W241 HydrophobicContact CB-CH2 3.87Å; P214-W241 HydrophobicContact CB-CZ3 4.1Å; P214-W241 HydrophobicContact CG-CH2 4.17Å; P214-W241 HydrophobicContact CG-CZ3 4.18Å; L227-W241 HydrophobicContact CB-CH2 3.53Å; L227-W241 HydrophobicContact CB-CZ2 4.06Å; L227-W241 HydrophobicContact CB-CZ3 3.82Å; L227-W241 HydrophobicContact CD1-CE3 4.31Å; L227-W241 HydrophobicContact CD1-CH2 4.41Å; L227-W241 HydrophobicContact CD1-CZ3 3.84Å; C229-W241 HydrophobicContact CB-CH2 4.03Å; C229-W241 HydrophobicContact CB-CZ2 4.01Å; C229-W241 WeakPolarHBondContact SG-CZ2 3.35Å; W241-I248 HydrophobicContact CB-CD1 4.06Å; W241-I248 PolarHBondContact O-N 2.58Å; W241-A251 HydrophobicContact CB-CB 3.79Å; W241-A251 VanDerWaalsContact CD1-O 3.31Å; W241-A251 HydrophobicContact CG-CB 4.31Å; W241-A251 PolarHBondContact N-O 3.48Å; W241-K253 PolarHBondContact NE1-O 3.37Å; W241-R254 WeakPolarHBondContact CZ2-O 3.48Å; W241-L256 HydrophobicContact CB-CD2 4.17Å; W241-L256 HydrophobicContact CD2-CB 3.84Å; W241-L256 HydrophobicContact CD2-CD2 4.1Å; W241-L256 HydrophobicContact CE3-CD2 4.28Å; W241-L256 HydrophobicContact CG-CB 3.94Å; W241-L256 HydrophobicContact CG-CD2 4.05Å; W241-L256 HydrophobicContact CG-CG 4.45Å; W241-L256 HydrophobicContact CZ2-CB 4.23Å; W241-C271 HydrophobicContact CD2-CB 3.93Å; W241-C271 HydrophobicContact CE3-CB 3.89Å; W241-C271 HydrophobicContact CH2-CB 4.16Å; W241-C271 HydrophobicContact CZ2-CB 4.22Å; W241-C271 HydrophobicContact CZ3-CB 4Å
242	H	96.8	Very high	92.9	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.083	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142	174.2	-69.2	-113.8	0	0	0	109.6	Q240 G245 V246 Y269 R270 E272 W281	Q240-H242 PolarHBondContact O-CD2 2.83Å; H242-G245 PolarHBondContact ND1-O 3.08Å; H242-G245 VanDerWaalsContact ND1-O 3.11Å; H242-V246 CarbonylContact C-O 3.42Å; H242-V246 WeakPolarHBondContact CA-O 3.37Å; H242-Y269 VanDerWaalsContact O-CA 3.29Å; H242-Y269 WeakPolarHBondContact O-CA 3.42Å; H242-R270 HydrophobicContact CB-CG 4.3Å; H242-R270 PolarHBondContact N-O 2.83Å; H242-R270 PolarHBondContact O-N 3.16Å; H242-R270 VanDerWaalsContact O-N 3.12Å; H242-E272 IonicContact NE2-OE2 3.22Å; H242-W281 AromaticContact CD2-CH2 3.92Å; H242-W281 AromaticContact CD2-CZ3 3.7Å; H242-W281 AromaticContact CE1-CH2 3.88Å; H242-W281 AromaticContact NE2-CH2 3.69Å; H242-W281 AromaticContact NE2-CZ3 3.97Å
243	R	95.9	Very high	93	Very high	77 Å²	77	63.4 Å²	63.4	29%	0.291	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.5	169.1	-176.1	177.6	73.8	-171.9	9.8	108.7	G245 V246 I248 D264 H265 R268 Y269	R243-G245 PolarHBondContact O-N 3.06Å; R243-V246 PolarHBondContact N-O 3.16Å; R243-V246 PolarHBondContact O-N 3.02Å; R243-I248 HydrophobicContact CB-CD1 3.9Å; R243-I248 HydrophobicContact CB-CG1 3.89Å; R243-D264 PolarHBondContact NH1-O 3.43Å; R243-D264 PolarHBondContact NH2-O 3.27Å; R243-H265 PolarHBondContact NH1-CD2 3.3Å; R243-R268 CarbonylContact C-O 3.54Å; R243-R268 WeakPolarHBondContact CA-O 3.15Å; R243-Y269 HydrophobicContact CB-CD1 4.28Å; R243-Y269 HydrophobicContact CB-CE1 3.99Å; R243-Y269 VanDerWaalsContact CD-CZ 3.46Å; R243-Y269 WeakPolarHBondContact CD-OH 3.4Å; R243-Y269 HydrophobicContact CG-CD2 4.46Å; R243-Y269 HydrophobicContact CG-CE1 4.06Å; R243-Y269 HydrophobicContact CG-CE2 3.93Å
244	N	92.4	Very high	93.1	Very high	92 Å²	92	66.2 Å²	66.2	49%	0.492	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.2	-177.3	-57.3	-31.3	0	0	0	112.5	V246 G267 R268	N244-V246 VanDerWaalsContact C-N 3.29Å; N244-V246 PolarHBondContact O-N 2.98Å; N244-G267 WeakPolarHBondContact OD1-CA 3.32Å; N244-R268 PolarHBondContact N-O 3.08Å; N244-R268 PolarHBondContact OD1-N 2.96Å
245	G	89.6	Confident	93.3	Very high	45 Å²	45	67.2 Å²	67.2	46%	0.464	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-14.1	-177.6	0	0	0	0	0	115.6	H242 R243	H242-G245 PolarHBondContact ND1-O 3.08Å; H242-G245 VanDerWaalsContact ND1-O 3.11Å; R243-G245 PolarHBondContact O-N 3.06Å
246	V	93.4	Very high	93.6	Very high	96 Å²	96	66.2 Å²	66.2	58%	0.582	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.8	-177.3	-176.4	0	0	0	0	110.7	H242 R243 N244 I248	H242-V246 CarbonylContact C-O 3.42Å; H242-V246 WeakPolarHBondContact CA-O 3.37Å; R243-V246 PolarHBondContact N-O 3.16Å; R243-V246 PolarHBondContact O-N 3.02Å; N244-V246 VanDerWaalsContact C-N 3.29Å; N244-V246 PolarHBondContact O-N 2.98Å; V246-I248 PolarHBondContact O-N 2.94Å
247	P	95.4	Very high	93.8	Very high	70 Å²	70	68.9 Å²	68.9	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.7	178.2	26.3	-33.7	0	0	0	110.9	Q240	Q240-P247 HydrophobicContact CG-CB 4.24Å
248	I	94.4	Very high	93.8	Very high	30 Å²	30	69.5 Å²	69.5	15%	0.154	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-79	123.8	176.3	-52.6	172.2	0	0	0	108.1	Q240 W241 R243 V246 N250 A251 L256 Y269	Q240-I248 PolarHBondContact NE2-O 2.82Å; W241-I248 HydrophobicContact CB-CD1 4.06Å; W241-I248 PolarHBondContact O-N 2.58Å; R243-I248 HydrophobicContact CB-CD1 3.9Å; R243-I248 HydrophobicContact CB-CG1 3.89Å; V246-I248 PolarHBondContact O-N 2.94Å; I248-N250 PolarHBondContact O-N 3.19Å; I248-A251 HydrophobicContact CB-CB 3.72Å; I248-A251 HydrophobicContact CG2-CB 3.87Å; I248-A251 WeakPolarHBondContact O-CB 2.91Å; I248-A251 PolarHBondContact O-N 2.94Å; I248-L256 HydrophobicContact CD1-CD2 3.79Å; I248-Y269 HydrophobicContact CD1-CD1 3.82Å; I248-Y269 HydrophobicContact CD1-CE1 3.51Å
249	P	91.7	Very high	93.4	Very high	108 Å²	108	64.9 Å²	64.9	70%	0.701	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	135.4	180	-25.4	34.3	0	0	0	112	A251	P249-A251 PolarHBondContact O-N 2.82Å
250	N	89.6	Confident	92.9	Very high	153 Å²	153	70.7 Å²	70.7	82%	0.818	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	5.1	178	-54.5	-38.2	0	0	0	116.2	I248 T252	I248-N250 PolarHBondContact O-N 3.19Å; N250-T252 PolarHBondContact O-N 2.89Å
251	A	94.3	Very high	92.6	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	37%	0.37	C	S	.	.			trans	-83.5	64.1	176.5	0	0	0	0	0	111.5	W241 I248 P249 L256	W241-A251 HydrophobicContact CB-CB 3.79Å; W241-A251 VanDerWaalsContact CD1-O 3.31Å; W241-A251 HydrophobicContact CG-CB 4.31Å; W241-A251 PolarHBondContact N-O 3.48Å; I248-A251 HydrophobicContact CB-CB 3.72Å; I248-A251 HydrophobicContact CG2-CB 3.87Å; I248-A251 WeakPolarHBondContact O-CB 2.91Å; I248-A251 PolarHBondContact O-N 2.94Å; P249-A251 PolarHBondContact O-N 2.82Å; A251-L256 HydrophobicContact CB-CD1 3.9Å
252	T	94.6	Very high	92.1	Very high	79 Å²	79	74 Å²	74	49%	0.485	40%	0.397	S	S	.	.			trans	-108	9.9	-173.7	56.5	0	0	0	0	114.2	Y239 N250	Y239-T252 CarbonylContact O-C 3.54Å; Y239-T252 WeakPolarHBondContact O-CA 3.39Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; N250-T252 PolarHBondContact O-N 2.89Å
253	K	92.2	Very high	91.4	Very high	157 Å²	157	77.8 Å²	77.8	68%	0.683	42%	0.415	S	S	*	.	S	Bend	trans	-98.7	156.5	179.7	-63.9	-176.9	-179.1	178	0	110.8	W241 K255	W241-K253 PolarHBondContact NE1-O 3.37Å; K253-K255 PolarHBondContact O-N 2.92Å
254	R	91.2	Very high	90.9	Very high	59 Å²	59	80.3 Å²	80.3	22%	0.223	43%	0.434	C	S	.	.	S	Bend	trans	-52.9	-34.7	172.4	64.1	178.3	-73.1	-167.8	0.8	113.5	E228 C229 Y239 W241	E228-R254 WeakPolarHBondContact CA-O 3.46Å; E228-R254 IonicContact OE1-CZ 3.18Å; E228-R254 VanDerWaalsContact OE1-CZ 3.29Å; E228-R254 IonicContact OE1-NE 3.63Å; E228-R254 PolarHBondContact OE1-NE 2.79Å; E228-R254 IonicContact OE1-NH2 3.99Å; E228-R254 PolarHBondContact OE1-NH2 3.48Å; C229-R254 PolarHBondContact N-O 2.84Å; C229-R254 WeakPolarHBondContact O-CB 3.43Å; C229-R254 PolarHBondContact SG-O 2.96Å; Y239-R254 HydrophobicContact CD2-CB 4.49Å; Y239-R254 HydrophobicContact CE2-CB 4.27Å; W241-R254 WeakPolarHBondContact CZ2-O 3.48Å
255	K	93.1	Very high	90.7	Very high	86 Å²	86	78.2 Å²	78.2	37%	0.374	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.2	176.6	-72.8	179.2	177.7	-166.6	0	110.1	L227 E228 K253	L227-K255 CarbonylContact O-C 3.28Å; L227-K255 WeakPolarHBondContact O-CA 3.43Å; E228-K255 HydrophobicContact CB-CG 4.09Å; E228-K255 HydrophobicContact CG-CG 3.97Å; E228-K255 WeakPolarHBondContact OE1-CE 3.38Å; E228-K255 WeakPolarHBondContact OE2-CE 3.14Å; E228-K255 IonicContact OE2-NZ 2.97Å; K253-K255 PolarHBondContact O-N 2.92Å
256	L	95.2	Very high	90.7	Very high	11 Å²	11	80.2 Å²	80.2	6%	0.058	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.6	166.9	173.3	61.9	0	0	0	108.3	Q226 L227 W241 I248 A251 I258 Y269	Q226-L256 CarbonylContact C-O 3.5Å; Q226-L256 WeakPolarHBondContact CA-O 3.06Å; L227-L256 HydrophobicContact CB-CB 4.28Å; L227-L256 HydrophobicContact CD1-CD2 4.35Å; L227-L256 PolarHBondContact N-O 2.95Å; L227-L256 PolarHBondContact O-N 3.32Å; W241-L256 HydrophobicContact CB-CD2 4.17Å; W241-L256 HydrophobicContact CD2-CB 3.84Å; W241-L256 HydrophobicContact CD2-CD2 4.1Å; W241-L256 HydrophobicContact CE3-CD2 4.28Å; W241-L256 HydrophobicContact CG-CB 3.94Å; W241-L256 HydrophobicContact CG-CD2 4.05Å; W241-L256 HydrophobicContact CG-CG 4.45Å; W241-L256 HydrophobicContact CZ2-CB 4.23Å; I248-L256 HydrophobicContact CD1-CD2 3.79Å; A251-L256 HydrophobicContact CB-CD1 3.9Å; L256-I258 HydrophobicContact CD1-CG1 4.16Å; L256-I258 HydrophobicContact CG-CG1 4.33Å; L256-Y269 HydrophobicContact CD2-CD1 3.58Å; L256-Y269 HydrophobicContact CD2-CE1 3.64Å
257	M	94.1	Very high	90.6	Very high	89 Å²	89	76 Å²	76	44%	0.438	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.1	176.1	-63.6	-63.3	-64.8	0	0	109	T224 L225 Q226	T224-M257 HydrophobicContact CG2-CE 3.43Å; T224-M257 VanDerWaalsContact CG2-CE 3.43Å; L225-M257 CarbonylContact O-C 3.57Å; L225-M257 VanDerWaalsContact O-CA 3.27Å; L225-M257 WeakPolarHBondContact O-CA 3.45Å; Q226-M257 HydrophobicContact CB-CE 4.06Å; Q226-M257 HydrophobicContact CB-SD 3.44Å; Q226-M257 WeakPolarHBondContact CB-SD 3.41Å; Q226-M257 VanDerWaalsContact CD-SD 3.57Å; Q226-M257 HydrophobicContact CG-CE 4.3Å; Q226-M257 HydrophobicContact CG-SD 3.3Å; Q226-M257 WeakPolarHBondContact CG-SD 3.39Å; Q226-M257 PolarHBondContact OE1-SD 2.85Å; Q226-M257 VanDerWaalsContact OE1-SD 3.38Å
258	I	91.1	Very high	90.5	Very high	21 Å²	21	78.9 Å²	78.9	11%	0.108	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	101	169.1	-53.6	-176.7	0	0	0	106.9	T224 L225 L256 V261	T224-I258 WeakPolarHBondContact CA-O 3.2Å; L225-I258 HydrophobicContact CB-CB 4.15Å; L225-I258 HydrophobicContact CD2-CB 4.5Å; L225-I258 HydrophobicContact CD2-CD1 3.87Å; L225-I258 HydrophobicContact CD2-CG1 4.18Å; L225-I258 PolarHBondContact N-O 3.01Å; L225-I258 PolarHBondContact O-N 2.65Å; L256-I258 HydrophobicContact CD1-CG1 4.16Å; L256-I258 HydrophobicContact CG-CG1 4.33Å; I258-V261 HydrophobicContact CB-CG1 4.21Å; I258-V261 HydrophobicContact CG2-CG1 4.2Å; I258-V261 WeakPolarHBondContact O-CG1 3.42Å
259	P	86.1	Confident	90.6	Very high	94 Å²	94	77.5 Å²	77.5	61%	0.61	39%	0.389	S	S	*	.	S	Bend	trans	-70.3	140	175.2	30.2	-32.6	0	0	0	109.1
260	Q	86	Confident	90.9	Very high	143 Å²	143	76.1 Å²	76.1	67%	0.668	37%	0.37	S	S	*	.	S	Bend	trans	52.4	70.1	-179.8	-61.4	-173.1	-6.8	0	0	113.3	E223	E223-Q260 CarbonylContact O-C 3.55Å; E223-Q260 WeakPolarHBondContact O-CA 3.5Å; E223-Q260 PolarHBondContact O-N 3.49Å
261	V	89.5	Confident	91.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.331	C	S	.	.			trans	-61	147.3	179.6	-59.4	0	0	0	0	111.2	L219 H220 V221 G222 E223 L225 I258 I289	L219-V261 HydrophobicContact CB-CG2 3.98Å; L219-V261 HydrophobicContact CD1-CG1 4.15Å; L219-V261 HydrophobicContact CD1-CG2 4.4Å; H220-V261 WeakPolarHBondContact O-CG2 3.27Å; V221-V261 CarbonylContact C-O 3.44Å; V221-V261 WeakPolarHBondContact CA-O 3.49Å; G222-V261 PolarHBondContact N-O 3.22Å; E223-V261 HydrophobicContact CB-CG2 4.43Å; E223-V261 WeakPolarHBondContact O-CG1 3.33Å; E223-V261 WeakPolarHBondContact O-CG2 3.21Å; E223-V261 PolarHBondContact O-N 3.09Å; L225-V261 HydrophobicContact CB-CG1 3.53Å; I258-V261 HydrophobicContact CB-CG1 4.21Å; I258-V261 HydrophobicContact CG2-CG1 4.2Å; I258-V261 WeakPolarHBondContact O-CG1 3.42Å; V261-I289 HydrophobicContact CB-CD1 3.66Å; V261-I289 HydrophobicContact CB-CG1 4.23Å; V261-I289 HydrophobicContact CG1-CD1 4.48Å; V261-I289 HydrophobicContact CG2-CD1 3.99Å; V261-I289 HydrophobicContact CG2-CG1 4.02Å; V261-I289 HydrophobicContact CG2-CG2 4.01Å
262	M	87.3	Confident	91.3	Very high	115 Å²	115	69.9 Å²	69.9	57%	0.567	33%	0.334	S	S	*	.			trans	-128.7	163.6	-177.9	-60.5	-174.7	109.3	0	0	107.8	D264 H265 I289	M262-D264 PolarHBondContact O-N 3.13Å; M262-H265 PolarHBondContact N-ND1 3.49Å; M262-H265 WeakPolarHBondContact O-CB 3.4Å; M262-H265 PolarHBondContact O-N 3.08Å; M262-I289 WeakPolarHBondContact O-CD1 3.33Å
263	Q	82	Confident	91.3	Very high	97 Å²	97	66.2 Å²	66.2	45%	0.453	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-52.6	-35.6	-175.2	-156.6	63.3	18.4	0	0	113.6	H265 H266 I289	Q263-H265 PolarHBondContact O-N 2.86Å; Q263-H265 VanDerWaalsContact O-N 3.16Å; Q263-H266 WeakPolarHBondContact O-CB 3.35Å; Q263-H266 PolarHBondContact O-N 2.71Å; Q263-I289 PolarHBondContact NE2-O 3.28Å; Q263-I289 VanDerWaalsContact NE2-O 3.1Å; Q263-I289 PolarHBondContact OE1-O 3.4Å
264	D	86.2	Confident	91.3	Very high	131 Å²	131	60.1 Å²	60.1	70%	0.701	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-67.3	-13	178.5	-64.1	-10	0	0	0	114.4	R243 M262 H266	R243-D264 PolarHBondContact NH1-O 3.43Å; R243-D264 PolarHBondContact NH2-O 3.27Å; M262-D264 PolarHBondContact O-N 3.13Å; D264-H266 VanDerWaalsContact C-N 3.29Å
265	H	87.9	Confident	91.1	Very high	47 Å²	47	58.3 Å²	58.3	22%	0.218	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-84.2	-2.7	172.8	-58.1	110.2	0	0	0	112.5	R243 M262 Q263 Y269 I289	R243-H265 PolarHBondContact NH1-CD2 3.3Å; M262-H265 PolarHBondContact N-ND1 3.49Å; M262-H265 WeakPolarHBondContact O-CB 3.4Å; M262-H265 PolarHBondContact O-N 3.08Å; Q263-H265 PolarHBondContact O-N 2.86Å; Q263-H265 VanDerWaalsContact O-N 3.16Å; H265-Y269 WeakPolarHBondContact O-CE2 3.4Å; H265-Y269 PolarHBondContact O-OH 3.37Å; H265-I289 HydrophobicContact CB-CD1 3.35Å
266	H	89.8	Confident	90.4	Very high	87 Å²	87	58.9 Å²	58.9	40%	0.403	30%	0.3	S	S	.	.			trans	-68.2	132.2	171.8	178.7	-171.7	0	0	0	109.6	Q263 D264 V287	Q263-H266 WeakPolarHBondContact O-CB 3.35Å; Q263-H266 PolarHBondContact O-N 2.71Å; D264-H266 VanDerWaalsContact C-N 3.29Å; H266-V287 WeakPolarHBondContact CA-O 3.37Å; H266-V287 PolarHBondContact CD2-O 3.22Å
267	G	90.4	Very high	89.5	Confident	8 Å²	8	64.1 Å²	64.1	8%	0.082	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.4	-167.9	167.4	0	0	0	0	0	112.6	N244 Y269 V287	N244-G267 WeakPolarHBondContact OD1-CA 3.32Å; G267-Y269 VanDerWaalsContact O-CD2 3.3Å; G267-Y269 WeakPolarHBondContact O-CD2 3.1Å; G267-V287 PolarHBondContact N-O 2.71Å; G267-V287 VanDerWaalsContact N-O 3.16Å; G267-V287 PolarHBondContact O-N 3.15Å
268	R	94.2	Very high	89	Confident	131 Å²	131	63.1 Å²	63.1	49%	0.494	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123	176.4	-78.1	179.5	-56.7	153.7	-12.6	110.3	R243 N244 E284 V285 D286	R243-R268 CarbonylContact C-O 3.54Å; R243-R268 WeakPolarHBondContact CA-O 3.15Å; N244-R268 PolarHBondContact N-O 3.08Å; N244-R268 PolarHBondContact OD1-N 2.96Å; R268-E284 HydrophobicContact CB-CG 3.83Å; R268-E284 WeakPolarHBondContact CD-OE1 3.14Å; R268-E284 HydrophobicContact CG-CG 4.34Å; R268-E284 IonicContact CZ-OE1 3.13Å; R268-E284 VanDerWaalsContact CZ-OE1 3.32Å; R268-E284 IonicContact NE-OE1 3.06Å; R268-E284 PolarHBondContact NE-OE1 3.18Å; R268-E284 IonicContact NH1-OE1 2.79Å; R268-E284 PolarHBondContact NH1-OE1 3.08Å; R268-V285 CarbonylContact C-O 3.52Å; R268-V285 WeakPolarHBondContact CA-O 3.26Å; R268-D286 WeakPolarHBondContact CG-OD1 3.22Å
269	Y	96.4	Very high	89	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.1	-178.5	-70.8	-104.6	0	0	0	110.5	L225 L227 H242 R243 I248 L256 H265 G267 E284 V285 V287	L225-Y269 HydrophobicContact CD2-CE1 4.22Å; L227-Y269 HydrophobicContact CD1-CD1 3.88Å; L227-Y269 HydrophobicContact CD1-CD2 4.35Å; L227-Y269 HydrophobicContact CD1-CG 3.63Å; H242-Y269 VanDerWaalsContact O-CA 3.29Å; H242-Y269 WeakPolarHBondContact O-CA 3.42Å; R243-Y269 HydrophobicContact CB-CD1 4.28Å; R243-Y269 HydrophobicContact CB-CE1 3.99Å; R243-Y269 VanDerWaalsContact CD-CZ 3.46Å; R243-Y269 WeakPolarHBondContact CD-OH 3.4Å; R243-Y269 HydrophobicContact CG-CD2 4.46Å; R243-Y269 HydrophobicContact CG-CE1 4.06Å; R243-Y269 HydrophobicContact CG-CE2 3.93Å; I248-Y269 HydrophobicContact CD1-CD1 3.82Å; I248-Y269 HydrophobicContact CD1-CE1 3.51Å; L256-Y269 HydrophobicContact CD2-CD1 3.58Å; L256-Y269 HydrophobicContact CD2-CE1 3.64Å; H265-Y269 WeakPolarHBondContact O-CE2 3.4Å; H265-Y269 PolarHBondContact O-OH 3.37Å; G267-Y269 VanDerWaalsContact O-CD2 3.3Å; G267-Y269 WeakPolarHBondContact O-CD2 3.1Å; Y269-E284 WeakPolarHBondContact O-CA 3.26Å; Y269-V285 PolarHBondContact N-O 2.85Å; Y269-V285 WeakPolarHBondContact O-CG2 3.5Å; Y269-V285 PolarHBondContact O-N 2.75Å; Y269-V287 HydrophobicContact CD2-CB 3.67Å; Y269-V287 HydrophobicContact CD2-CG2 3.4Å; Y269-V287 HydrophobicContact CE2-CB 3.55Å; Y269-V287 HydrophobicContact CE2-CG1 4.21Å; Y269-V287 HydrophobicContact CE2-CG2 3.71Å; Y269-V287 HydrophobicContact CG-CG2 4.08Å
270	R	97.3	Very high	89.2	Confident	79 Å²	79	69.5 Å²	69.5	30%	0.298	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.6	168.4	67.6	-176.4	-167.8	-157.7	8.5	109.9	H242 W281 E284	H242-R270 HydrophobicContact CB-CG 4.3Å; H242-R270 PolarHBondContact N-O 2.83Å; H242-R270 PolarHBondContact O-N 3.16Å; H242-R270 VanDerWaalsContact O-N 3.12Å; R270-W281 HydrophobicContact CG-CE3 3.88Å; R270-W281 HydrophobicContact CG-CZ3 3.96Å; R270-W281 VanDerWaalsContact NE-CZ3 3.34Å; R270-E284 HydrophobicContact CB-CB 4.49Å; R270-E284 HydrophobicContact CB-CG 4.44Å; R270-E284 WeakPolarHBondContact CD-OE2 3.41Å; R270-E284 IonicContact CZ-OE2 2.75Å; R270-E284 IonicContact NH1-OE2 3.97Å; R270-E284 PolarHBondContact NH1-OE2 2.63Å
271	C	97.1	Very high	89.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129	178.7	-167.6	0	0	0	0	110.8	C229 Q240 W241 T282	C229-C271 HydrophobicContact CB-CB 4.17Å; C229-C271 VanDerWaalsContact SG-CB 3.56Å; C229-C271 PolarHBondContact SG-SG 3.44Å; Q240-C271 WeakPolarHBondContact O-CA 3.34Å; W241-C271 HydrophobicContact CD2-CB 3.93Å; W241-C271 HydrophobicContact CE3-CB 3.89Å; W241-C271 HydrophobicContact CH2-CB 4.16Å; W241-C271 HydrophobicContact CZ2-CB 4.22Å; W241-C271 HydrophobicContact CZ3-CB 4Å; C271-T282 HydrophobicContact CB-CG2 3.85Å; C271-T282 PolarHBondContact N-OG1 3Å; C271-T282 PolarHBondContact O-N 2.99Å
272	E	96.1	Very high	89.8	Confident	34 Å²	34	68.2 Å²	68.2	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.2	164	-168.9	-176.6	-167	0	0	108.2	Y239 Q240 H242 R279 W281	Y239-E272 CarbonylContact C-O 3.6Å; Y239-E272 WeakPolarHBondContact CA-O 3.48Å; Q240-E272 HydrophobicContact CB-CB 4.45Å; Q240-E272 PolarHBondContact N-O 3.35Å; Q240-E272 PolarHBondContact O-N 3Å; H242-E272 IonicContact NE2-OE2 3.22Å; E272-R279 WeakPolarHBondContact OE1-CD 3.3Å; E272-R279 IonicContact OE1-CZ 3.57Å; E272-R279 IonicContact OE1-NH1 3.42Å; E272-R279 PolarHBondContact OE1-NH1 2.83Å; E272-R279 VanDerWaalsContact OE1-NH1 3.11Å; E272-W281 HydrophobicContact CB-CD2 4.28Å; E272-W281 HydrophobicContact CB-CE3 3.95Å; E272-W281 HydrophobicContact CB-CH2 3.64Å; E272-W281 HydrophobicContact CB-CZ2 3.98Å; E272-W281 HydrophobicContact CB-CZ3 3.62Å; E272-W281 HydrophobicContact CG-CD2 4.35Å; E272-W281 HydrophobicContact CG-CH2 3.97Å; E272-W281 HydrophobicContact CG-CZ2 3.78Å; E272-W281 HydrophobicContact CG-CZ3 4.33Å
273	I	94.9	Very high	89.9	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	178.9	-58	166.6	0	0	0	107.4	L208 L210 A231 P237 R238 Y239 R279 M280 T282	L208-I273 HydrophobicContact CD1-CG2 3.96Å; L208-I273 HydrophobicContact CD2-CG2 4.17Å; L210-I273 HydrophobicContact CD1-CD1 3.31Å; A231-I273 HydrophobicContact CB-CD1 4.22Å; A231-I273 HydrophobicContact CB-CG2 3.76Å; P237-I273 HydrophobicContact CB-CG2 3.81Å; R238-I273 CarbonylContact O-C 3.58Å; R238-I273 VanDerWaalsContact O-CA 3.31Å; R238-I273 WeakPolarHBondContact O-CA 3.48Å; Y239-I273 HydrophobicContact CD1-CD1 4.24Å; Y239-I273 HydrophobicContact CD1-CG1 3.72Å; Y239-I273 HydrophobicContact CD1-CG2 4.49Å; Y239-I273 HydrophobicContact CE1-CD1 4.02Å; Y239-I273 HydrophobicContact CE1-CG1 3.91Å; Y239-I273 HydrophobicContact CE1-CG2 4.26Å; I273-R279 CarbonylContact O-C 3.32Å; I273-R279 WeakPolarHBondContact O-CA 3.42Å; I273-M280 PolarHBondContact N-O 2.8Å; I273-M280 PolarHBondContact O-N 3.11Å; I273-T282 HydrophobicContact CD1-CG2 3.87Å
274	S	91.7	Very high	90.2	Very high	30 Å²	30	64.7 Å²	64.7	21%	0.21	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.5	-176.4	58.4	0	0	0	0	112.2	R238 E278	R238-S274 PolarHBondContact N-O 3.45Å; R238-S274 PolarHBondContact O-N 3.06Å; S274-E278 WeakPolarHBondContact CA-O 3.31Å
275	S	85.9	Confident	90.4	Very high	21 Å²	21	58.5 Å²	58.5	15%	0.147	28%	0.283	C	S	.	.			trans	-115.6	177.3	164.5	-174.9	0	0	0	0	108.6	P235 T277 E278	P235-S275 WeakPolarHBondContact CD-OG 3.39Å; S275-T277 PolarHBondContact O-N 3.41Å; S275-T277 VanDerWaalsContact O-N 3.08Å; S275-E278 PolarHBondContact N-O 3.09Å
276	S	78.6	Confident	90.4	Very high	98 Å²	98	60.1 Å²	60.1	69%	0.685	29%	0.293	S	S	*	.	S	Bend	trans	-59.8	-20.4	179.4	51.5	0	0	0	0	113.9	P235	P235-S276 WeakPolarHBondContact CG-OG 3.4Å
277	T	76.3	Confident	90.5	Very high	120 Å²	120	56 Å²	56	74%	0.736	27%	0.274	S	S	*	.	S	Bend	trans	-126.5	-15	-174.1	50.5	0	0	0	0	114.4	S275	S275-T277 PolarHBondContact O-N 3.41Å; S275-T277 VanDerWaalsContact O-N 3.08Å
278	E	85.3	Confident	90.2	Very high	68 Å²	68	58.1 Å²	58.1	32%	0.318	29%	0.285	S	S	.	.			trans	-136.8	150.9	-168.6	-68.2	178.1	170.6	0	0	110.9	L208 S274 S275	L208-E278 HydrophobicContact CB-CB 4.22Å; L208-E278 WeakPolarHBondContact CB-OE2 3.37Å; L208-E278 HydrophobicContact CD2-CB 4.23Å; L208-E278 PolarHBondContact N-OE2 3.39Å; S274-E278 WeakPolarHBondContact CA-O 3.31Å; S275-E278 PolarHBondContact N-O 3.09Å
279	R	89.8	Confident	89.7	Confident	184 Å²	184	52 Å²	52	69%	0.694	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	141	173.5	-61.8	-171.8	-175.9	-164.7	7.7	110.2	E272 I273	E272-R279 WeakPolarHBondContact OE1-CD 3.3Å; E272-R279 IonicContact OE1-CZ 3.57Å; E272-R279 IonicContact OE1-NH1 3.42Å; E272-R279 PolarHBondContact OE1-NH1 2.83Å; E272-R279 VanDerWaalsContact OE1-NH1 3.11Å; I273-R279 CarbonylContact O-C 3.32Å; I273-R279 WeakPolarHBondContact O-CA 3.42Å
280	M	89.8	Confident	88.6	Confident	65 Å²	65	53.6 Å²	53.6	32%	0.32	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.3	178.6	-70.6	-177.3	59.4	0	0	110.2	L208 L210 I273	L208-M280 HydrophobicContact CD2-CB 4.33Å; L208-M280 HydrophobicContact CD2-CG 4.1Å; L208-M280 HydrophobicContact CD2-SD 4.25Å; L208-M280 HydrophobicContact CG-SD 4.08Å; L210-M280 HydrophobicContact CB-CE 3.78Å; I273-M280 PolarHBondContact N-O 2.8Å; I273-M280 PolarHBondContact O-N 3.11Å
281	W	93.8	Very high	86.9	Confident	105 Å²	105	54 Å²	54	40%	0.398	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146	174.4	-68.3	88.8	0	0	0	109.9	H242 R270 E272	H242-W281 AromaticContact CD2-CH2 3.92Å; H242-W281 AromaticContact CD2-CZ3 3.7Å; H242-W281 AromaticContact CE1-CH2 3.88Å; H242-W281 AromaticContact NE2-CH2 3.69Å; H242-W281 AromaticContact NE2-CZ3 3.97Å; R270-W281 HydrophobicContact CG-CE3 3.88Å; R270-W281 HydrophobicContact CG-CZ3 3.96Å; R270-W281 VanDerWaalsContact NE-CZ3 3.34Å; E272-W281 HydrophobicContact CB-CD2 4.28Å; E272-W281 HydrophobicContact CB-CE3 3.95Å; E272-W281 HydrophobicContact CB-CH2 3.64Å; E272-W281 HydrophobicContact CB-CZ2 3.98Å; E272-W281 HydrophobicContact CB-CZ3 3.62Å; E272-W281 HydrophobicContact CG-CD2 4.35Å; E272-W281 HydrophobicContact CG-CH2 3.97Å; E272-W281 HydrophobicContact CG-CZ2 3.78Å; E272-W281 HydrophobicContact CG-CZ3 4.33Å
282	T	94.2	Very high	84.6	Confident	11 Å²	11	61 Å²	61	7%	0.067	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-72	169.8	164.3	66.5	0	0	0	0	110.8	L210 P214 C229 C271 I273	L210-T282 HydrophobicContact CD1-CG2 4.23Å; L210-T282 HydrophobicContact CD2-CG2 4.32Å; P214-T282 HydrophobicContact CG-CG2 4.41Å; C229-T282 HydrophobicContact CB-CG2 3.77Å; C271-T282 HydrophobicContact CB-CG2 3.85Å; C271-T282 PolarHBondContact N-OG1 3Å; C271-T282 PolarHBondContact O-N 2.99Å; I273-T282 HydrophobicContact CD1-CG2 3.87Å
283	N	89.3	Confident	82.2	Confident	66 Å²	66	65.3 Å²	65.3	35%	0.353	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-57.2	153.1	158.2	62.4	-48.2	0	0	0	109.7	H213 P214 V285	H213-N283 VanDerWaalsContact CB-OD1 3.26Å; H213-N283 WeakPolarHBondContact CB-OD1 3.46Å; H213-N283 PolarHBondContact ND1-OD1 2.77Å; P214-N283 WeakPolarHBondContact CD-OD1 3.19Å; P214-N283 PolarHBondContact O-ND2 3.33Å; N283-V285 WeakPolarHBondContact ND2-CG1 3.3Å
284	E	89.9	Confident	79.3	Confident	72 Å²	72	70.2 Å²	70.2	34%	0.336	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-82.8	135.1	171	-159.2	161.9	113.3	0	0	108.5	R268 Y269 R270	R268-E284 HydrophobicContact CB-CG 3.83Å; R268-E284 WeakPolarHBondContact CD-OE1 3.14Å; R268-E284 HydrophobicContact CG-CG 4.34Å; R268-E284 IonicContact CZ-OE1 3.13Å; R268-E284 VanDerWaalsContact CZ-OE1 3.32Å; R268-E284 IonicContact NE-OE1 3.06Å; R268-E284 PolarHBondContact NE-OE1 3.18Å; R268-E284 IonicContact NH1-OE1 2.79Å; R268-E284 PolarHBondContact NH1-OE1 3.08Å; Y269-E284 WeakPolarHBondContact O-CA 3.26Å; R270-E284 HydrophobicContact CB-CB 4.49Å; R270-E284 HydrophobicContact CB-CG 4.44Å; R270-E284 WeakPolarHBondContact CD-OE2 3.41Å; R270-E284 IonicContact CZ-OE2 2.75Å; R270-E284 IonicContact NH1-OE2 3.97Å; R270-E284 PolarHBondContact NH1-OE2 2.63Å
285	V	90.6	Very high	76.5	Confident	2 Å²	2	74 Å²	74	1%	0.012	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.1	179.8	-64.2	0	0	0	0	111	P214 L227 R268 Y269 N283	P214-V285 HydrophobicContact CB-CG1 3.97Å; P214-V285 HydrophobicContact CB-CG2 3.83Å; P214-V285 HydrophobicContact CG-CG1 3.94Å; P214-V285 HydrophobicContact CG-CG2 4.12Å; P214-V285 WeakPolarHBondContact O-CG1 3.33Å; L227-V285 HydrophobicContact CD1-CG2 4.04Å; L227-V285 HydrophobicContact CD2-CG2 4.19Å; R268-V285 CarbonylContact C-O 3.52Å; R268-V285 WeakPolarHBondContact CA-O 3.26Å; Y269-V285 PolarHBondContact N-O 2.85Å; Y269-V285 WeakPolarHBondContact O-CG2 3.5Å; Y269-V285 PolarHBondContact O-N 2.75Å; N283-V285 WeakPolarHBondContact ND2-CG1 3.3Å
286	D	88.1	Confident	73.6	Confident	80 Å²	80	81.6 Å²	81.6	43%	0.428	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.3	179.3	-66.3	-63.5	0	0	0	110	S216 Q217 R268	S216-D286 CarbonylContact C-O 3.54Å; S216-D286 WeakPolarHBondContact CA-O 3.5Å; S216-D286 WeakPolarHBondContact CB-O 3.36Å; S216-D286 PolarHBondContact OG-N 2.83Å; S216-D286 VanDerWaalsContact OG-N 3.12Å; Q217-D286 PolarHBondContact N-O 3.18Å; R268-D286 WeakPolarHBondContact CG-OD1 3.22Å
287	V	90.6	Very high	71.4	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.5	168.7	174.9	0	0	0	0	107.9	Q217 L219 L225 L227 H266 G267 Y269 I289	Q217-V287 CarbonylContact O-C 3.54Å; Q217-V287 WeakPolarHBondContact O-CA 3.34Å; L219-V287 HydrophobicContact CD1-CG1 4.43Å; L225-V287 HydrophobicContact CD1-CB 4.25Å; L225-V287 HydrophobicContact CD1-CG1 3.6Å; L225-V287 HydrophobicContact CD1-CG2 3.59Å; L225-V287 HydrophobicContact CD2-CG1 3.92Å; L225-V287 HydrophobicContact CD2-CG2 4.13Å; L225-V287 HydrophobicContact CG-CG1 4.32Å; L227-V287 HydrophobicContact CD1-CG2 3.86Å; L227-V287 HydrophobicContact CD2-CG2 4.07Å; L227-V287 HydrophobicContact CG-CG2 4.29Å; H266-V287 WeakPolarHBondContact CA-O 3.37Å; H266-V287 PolarHBondContact CD2-O 3.22Å; G267-V287 PolarHBondContact N-O 2.71Å; G267-V287 VanDerWaalsContact N-O 3.16Å; G267-V287 PolarHBondContact O-N 3.15Å; Y269-V287 HydrophobicContact CD2-CB 3.67Å; Y269-V287 HydrophobicContact CD2-CG2 3.4Å; Y269-V287 HydrophobicContact CE2-CB 3.55Å; Y269-V287 HydrophobicContact CE2-CG1 4.21Å; Y269-V287 HydrophobicContact CE2-CG2 3.71Å; Y269-V287 HydrophobicContact CG-CG2 4.08Å; V287-I289 HydrophobicContact CG1-CG1 4.32Å
288	V	85.1	Confident	69.2	Low	53 Å²	53	83.9 Å²	83.9	32%	0.321	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.1	-179.9	-176.2	0	0	0	0	108.5	Q217 R218 L219	Q217-V288 PolarHBondContact O-N 3.04Å; R218-V288 WeakPolarHBondContact CA-O 3.46Å; R218-V288 HydrophobicContact CG-CB 4.27Å; L219-V288 PolarHBondContact N-O 3.15Å
289	I	82.3	Confident	66.4	Low	2 Å²	2	83.2 Å²	83.2	1%	0.01	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.9	176	-60.7	167.4	0	0	0	108.7	L219 V221 V261 M262 Q263 H265 V287	L219-I289 CarbonylContact O-C 3.58Å; L219-I289 WeakPolarHBondContact O-CA 3.47Å; V221-I289 HydrophobicContact CG2-CG2 3.77Å; V261-I289 HydrophobicContact CB-CD1 3.66Å; V261-I289 HydrophobicContact CB-CG1 4.23Å; V261-I289 HydrophobicContact CG1-CD1 4.48Å; V261-I289 HydrophobicContact CG2-CD1 3.99Å; V261-I289 HydrophobicContact CG2-CG1 4.02Å; V261-I289 HydrophobicContact CG2-CG2 4.01Å; M262-I289 WeakPolarHBondContact O-CD1 3.33Å; Q263-I289 PolarHBondContact NE2-O 3.28Å; Q263-I289 VanDerWaalsContact NE2-O 3.1Å; Q263-I289 PolarHBondContact OE1-O 3.4Å; H265-I289 HydrophobicContact CB-CD1 3.35Å; V287-I289 HydrophobicContact CG1-CG1 4.32Å
290	A	73.6	Confident	63.7	Low	35 Å²	35	79.8 Å²	79.8	29%	0.289	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149	176.5	0	0	0	0	0	110.7	L219 H220 V221	L219-A290 PolarHBondContact O-N 3Å; H220-A290 CarbonylContact C-O 3.56Å; H220-A290 WeakPolarHBondContact CA-O 3.06Å; V221-A290 PolarHBondContact N-O 2.77Å
291	P	62.9	Low	60.9	Low	86 Å²	86	84.9 Å²	84.9	56%	0.558	48%	0.482	S	S	*	.			trans	-65	138.7	172.3	25.1	-31.1	0	0	0	111.1	I293	P291-I293 PolarHBondContact O-N 3.32Å
292	R	48.4	Very low	58	Low	147 Å²	147	89.3 Å²	89.3	56%	0.555	51%	0.507	S	S	*	.			trans	-74	110.3	167.4	-86	-168.9	175.7	169	-5.9	108.8	H220 V221 E223	H220-R292 HydrophobicContact CB-CB 4.47Å; H220-R292 HydrophobicContact CB-CG 3.4Å; V221-R292 WeakPolarHBondContact O-CD 3.34Å; V221-R292 WeakPolarHBondContact O-CG 3.4Å; V221-R292 PolarHBondContact O-NE 3.39Å; E223-R292 IonicContact OE1-NH2 3.39Å
293	I	46.3	Very low	54.7	Low	125 Å²	125	93.8 Å²	93.8	64%	0.641	54%	0.538	S	S	*	.			trans	-90.9	102.4	167	-58.2	174	0	0	0	106.8	P291 V295	P291-I293 PolarHBondContact O-N 3.32Å; I293-V295 HydrophobicContact CG2-CG2 4.08Å; I293-V295 PolarHBondContact O-N 3.29Å
294	S	33.3	Very low	52	Low	105 Å²	105	95.7 Å²	95.7	73%	0.734	56%	0.556	S	S	*	*			trans	-79.2	100.8	166.3	55.9	0	0	0	0	108.3	Q296	S294-Q296 PolarHBondContact O-N 3.48Å
295	V	32.1	Very low	49.6	Very low	110 Å²	110	99.8 Å²	99.8	67%	0.667	58%	0.576	S	S	*	*			trans	-73.2	103.2	165.9	-174.6	0	0	0	0	107	I293 I297	I293-V295 HydrophobicContact CG2-CG2 4.08Å; I293-V295 PolarHBondContact O-N 3.29Å; V295-I297 HydrophobicContact CB-CG1 4.49Å; V295-I297 HydrophobicContact CG1-CG1 3.68Å; V295-I297 PolarHBondContact O-N 3.36Å
296	Q	26.5	Very low	46.9	Very low	179 Å²	179	107.1 Å²	107.1	84%	0.836	62%	0.615	S	S	*	*			trans	-75	99.3	161.9	-79.4	-167.3	-33.3	0	0	107.5	S294 S298	S294-Q296 PolarHBondContact O-N 3.48Å; Q296-S298 VanDerWaalsContact C-N 3.35Å; Q296-S298 PolarHBondContact O-N 2.94Å; Q296-S298 VanDerWaalsContact O-N 3.08Å
297	I	31.5	Very low	44.3	Very low	146 Å²	146	111 Å²	111	75%	0.749	64%	0.636	S	S	*	*			trans	-76.2	91.8	170	-55	175.6	0	0	0	106.8	V295	V295-I297 HydrophobicContact CB-CG1 4.49Å; V295-I297 HydrophobicContact CG1-CG1 3.68Å; V295-I297 PolarHBondContact O-N 3.36Å
298	S	29.4	Very low	41.6	Very low	120 Å²	120	116.8 Å²	116.8	84%	0.839	67%	0.665	S	S	*	*			trans	-95.5	94.6	160.1	60.7	0	0	0	0	107.9	Q296	Q296-S298 VanDerWaalsContact C-N 3.35Å; Q296-S298 PolarHBondContact O-N 2.94Å; Q296-S298 VanDerWaalsContact O-N 3.08Å
299	G	27.6	Very low	39.1	Very low	55 Å²	55	124.8 Å²	124.8	57%	0.567	69%	0.691	S	S	*	*			trans	179.6	97.1	176.7	0	0	0	0	0	109.6	M301	G299-M301 PolarHBondContact O-N 3.09Å
300	A	33.3	Very low	36.6	Very low	111 Å²	111	129.2 Å²	129.2	92%	0.917	73%	0.728	S	S	*	*			trans	-60	120.1	174.4	0	0	0	0	0	109.8
301	M	29.5	Very low	34.8	Very low	172 Å²	172	134.1 Å²	134.1	85%	0.847	75%	0.748	S	S	*	*			trans	-123.9	110.9	162.6	-164.4	99.9	-175.5	0	0	105.3	G299 C303	G299-M301 PolarHBondContact O-N 3.09Å; M301-C303 PolarHBondContact O-N 3.16Å
302	E	32.8	Very low	33.1	Very low	198 Å²	198	132.7 Å²	132.7	93%	0.925	75%	0.749	S	S	*	*			trans	-66.6	115.8	171.9	-74.1	177.5	158.4	0	0	108.5
303	C	26.4	Very low	32.6	Very low	105 Å²	105	129 Å²	129	71%	0.709	76%	0.757	S	S	*	*			trans	-102.2	129.6	164.8	-67.5	0	0	0	0	108.1	M301	M301-C303 PolarHBondContact O-N 3.16Å
304	S	32.1	Very low	31.9	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	77%	0.771	S	S	*	*			trans	-65.7	147.4	175.6	46.2	0	0	0	0	112.5	D306	S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.41Å
305	E	38.5	Very low	31.7	Very low	159 Å²	159	130 Å²	130	74%	0.743	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	9.2	-163.2	-73.9	-171.8	140.5	0	0	118.1
306	D	35.5	Very low	31.7	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-2.9	-169.7	-76.1	-29.1	0	0	0	116.9	S304	S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.41Å
307	D	33	Very low	32.1	Very low	162 Å²	162	128.6 Å²	128.6	87%	0.866	76%	0.756	S	S	*	*	S	Bend	trans	-108.9	6.4	172.2	-76.5	-37.5	0	0	0	114	Y309	D307-Y309 PolarHBondContact O-N 3.15Å
308	I	34	Very low	32.3	Very low	121 Å²	121	128.7 Å²	128.7	62%	0.621	76%	0.757	S	S	*	*	S	Bend	trans	-97.7	40.1	179.9	-46.6	-179.9	0	0	0	110.7
309	Y	32.5	Very low	32.2	Very low	222 Å²	222	130.8 Å²	130.8	87%	0.871	75%	0.751	S	S	*	*	S	Bend	trans	-144.7	54.1	171.6	-77.3	-76.1	0	0	0	112.8	D307	D307-Y309 PolarHBondContact O-N 3.15Å
310	A	30.2	Very low	32.5	Very low	94 Å²	94	134.4 Å²	134.4	78%	0.777	76%	0.757	S	S	*	*	S	Bend	trans	-145.5	23.8	161.3	0	0	0	0	0	114.2
311	I	35	Very low	32.4	Very low	138 Å²	138	136.2 Å²	136.2	71%	0.708	75%	0.751	S	S	*	*			trans	-127.6	82.2	170.7	-52.8	-178.2	0	0	0	108.3	G313	I311-G313 PolarHBondContact O-N 3Å
312	G	27.9	Very low	32.5	Very low	56 Å²	56	132.5 Å²	132.5	58%	0.577	74%	0.742	S	S	*	*			trans	-64.2	124.9	159.5	0	0	0	0	0	108.4
313	G	36.6	Very low	32.4	Very low	71 Å²	71	129 Å²	129	73%	0.732	73%	0.729	S	S	*	*	S	Bend	trans	-51	151.7	178.5	0	0	0	0	0	113	I311	I311-G313 PolarHBondContact O-N 3Å
314	D	31.5	Very low	33	Very low	175 Å²	175	128.1 Å²	128.1	94%	0.936	72%	0.722	S	S	*	*	S	Bend	trans	84.5	23	169	-136.9	20.7	0	0	0	118
315	S	30.9	Very low	33.9	Very low	76 Å²	76	129 Å²	129	53%	0.531	72%	0.715	S	S	.	*			trans	-140.6	11.5	173.3	53.1	0	0	0	0	116.9
316	C	32.1	Very low	34.9	Very low	83 Å²	83	125.3 Å²	125.3	56%	0.561	70%	0.697	S	S	*	*	S	Bend	trans	-89	-10.9	173.8	-77.1	0	0	0	0	114.9
317	E	34.6	Very low	37.1	Very low	176 Å²	176	119.1 Å²	119.1	82%	0.822	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-8.9	179.6	-71.8	-156.3	160.3	0	0	114.7
318	L	35.5	Very low	39.7	Very low	148 Å²	148	117 Å²	117	78%	0.775	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-3.7	-178.9	-81.4	161.8	0	0	0	114.8
319	F	27.5	Very low	42.4	Very low	164 Å²	164	111.2 Å²	111.2	72%	0.719	62%	0.615	S	S	*	*	S	Bend	trans	-107.6	-6	-179.1	-82.8	-81.8	0	0	0	115.3
320	L	32.2	Very low	45.1	Very low	130 Å²	130	102.1 Å²	102.1	68%	0.681	58%	0.583	S	S	*	*	S	Bend	trans	-101.1	0.1	177.6	-69	175.6	0	0	0	114.6	L323	L320-L323 HydrophobicContact CD2-CD1 4.12Å
321	N	32.5	Very low	48	Very low	149 Å²	149	98.2 Å²	98.2	80%	0.797	55%	0.549	S	S	*	.	S	Bend	trans	-94.4	14.7	178.5	-76.6	-30.7	0	0	0	114.2
322	S	30.8	Very low	50.9	Low	95 Å²	95	91.7 Å²	91.7	66%	0.664	52%	0.515	S	S	*	.	S	Bend	trans	-133.7	11.4	179.2	60.8	0	0	0	0	115
323	L	30.9	Very low	54.1	Low	125 Å²	125	89 Å²	89	65%	0.654	49%	0.488	S	S	*	.	S	Bend	trans	-87.6	132.3	170	-69.9	164.7	0	0	0	109.1	L320 E325	L320-L323 HydrophobicContact CD2-CD1 4.12Å; L323-E325 PolarHBondContact O-N 3.48Å
324	P	39.3	Very low	57	Low	86 Å²	86	85.7 Å²	85.7	56%	0.558	45%	0.453	S	S	*	.			trans	-54.7	136.8	174.6	22.1	-29.9	0	0	0	109	Q326	P324-Q326 VanDerWaalsContact C-N 3.3Å; P324-Q326 PolarHBondContact O-N 3.48Å
325	E	50.1	Low	60.2	Low	125 Å²	125	77.4 Å²	77.4	58%	0.584	41%	0.409	S	S	*	.			trans	-53.2	97.2	171.7	-75.5	-173.5	151.7	0	0	108.5	R218 L323 L327	R218-E325 VanDerWaalsContact CZ-CD 3.48Å; R218-E325 IonicContact CZ-OE1 3.12Å; R218-E325 IonicContact CZ-OE2 2.66Å; R218-E325 IonicContact NE-OE1 3.1Å; R218-E325 PolarHBondContact NE-OE1 3.5Å; R218-E325 IonicContact NE-OE2 3.12Å; R218-E325 IonicContact NH2-OE1 3.93Å; R218-E325 PolarHBondContact NH2-OE1 3.15Å; R218-E325 IonicContact NH2-OE2 3.92Å; R218-E325 PolarHBondContact NH2-OE2 3.35Å; L323-E325 PolarHBondContact O-N 3.48Å; E325-L327 PolarHBondContact O-N 2.97Å
326	Q	61.3	Low	63.4	Low	80 Å²	80	73.8 Å²	73.8	37%	0.374	38%	0.384	S	S	.	.			trans	-69.3	118.2	177.9	-163.7	102.8	34.1	0	0	106.6	P324 Y328 P551	P324-Q326 VanDerWaalsContact C-N 3.3Å; P324-Q326 PolarHBondContact O-N 3.48Å; Q326-Y328 HydrophobicContact CB-CE2 4.48Å; Q326-Y328 VanDerWaalsContact O-CD2 3.3Å; Q326-Y328 WeakPolarHBondContact O-CD2 3.47Å; Q326-Y328 WeakPolarHBondContact O-CE2 3.12Å; Q326-P551 HydrophobicContact CG-CG 3.58Å
327	L	81.4	Confident	66.6	Low	26 Å²	26	69.9 Å²	69.9	14%	0.136	36%	0.357	C	S	.	.			trans	-78.6	152.4	171.3	-66.2	176.6	0	0	0	108.6	E325 E544 R545 R546 D550 P551	E325-L327 PolarHBondContact O-N 2.97Å; L327-E544 HydrophobicContact CD1-CB 4.02Å; L327-R545 VanDerWaalsContact CD1-C 3.45Å; L327-R545 HydrophobicContact CD1-CB 4.49Å; L327-R545 WeakPolarHBondContact CD1-O 3.2Å; L327-R546 HydrophobicContact CD1-CB 4.46Å; L327-R546 HydrophobicContact CD1-CG 3.65Å; L327-D550 WeakPolarHBondContact O-CB 3.34Å; L327-P551 WeakPolarHBondContact O-CD 3.19Å
328	Y	86.8	Confident	69.6	Low	116 Å²	116	61.5 Å²	61.5	46%	0.455	32%	0.318	S	S	.	.			trans	-121.9	145.6	-178.1	-57.7	-93.5	0	0	0	110.1	Q326 P551 L553	Q326-Y328 HydrophobicContact CB-CE2 4.48Å; Q326-Y328 VanDerWaalsContact O-CD2 3.3Å; Q326-Y328 WeakPolarHBondContact O-CD2 3.47Å; Q326-Y328 WeakPolarHBondContact O-CE2 3.12Å; Y328-P551 VanDerWaalsContact CA-O 3.31Å; Y328-P551 WeakPolarHBondContact CA-O 3.5Å; Y328-P551 HydrophobicContact CD1-CB 4.01Å; Y328-P551 HydrophobicContact CD1-CG 3.49Å; Y328-P551 VanDerWaalsContact CD1-CG 3.49Å; Y328-P551 HydrophobicContact CE1-CB 4.17Å; Y328-P551 HydrophobicContact CE1-CG 3.48Å; Y328-P551 VanDerWaalsContact CE1-CG 3.48Å; Y328-P551 HydrophobicContact CG-CG 4.44Å; Y328-L553 HydrophobicContact CD1-CB 3.89Å; Y328-L553 HydrophobicContact CD1-CD1 4.02Å; Y328-L553 HydrophobicContact CE1-CD1 4.17Å; Y328-L553 HydrophobicContact CG-CB 4.08Å; Y328-L553 HydrophobicContact CG-CD1 4.47Å
329	A	91.2	Very high	72.5	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-95.9	143	165.5	0	0	0	0	0	109.1	D331 K332 Y396 P551 I552 L553	A329-D331 VanDerWaalsContact C-N 3.31Å; A329-K332 HydrophobicContact CB-CD 3.99Å; A329-K332 HydrophobicContact CB-CG 3.58Å; A329-Y396 HydrophobicContact CB-CD1 3.65Å; A329-Y396 HydrophobicContact CB-CD2 3.82Å; A329-Y396 HydrophobicContact CB-CE1 3.78Å; A329-Y396 HydrophobicContact CB-CE2 3.96Å; A329-Y396 HydrophobicContact CB-CG 3.67Å; A329-P551 PolarHBondContact N-O 2.92Å; A329-I552 CarbonylContact O-C 3.58Å; A329-I552 VanDerWaalsContact O-CA 3.28Å; A329-I552 WeakPolarHBondContact O-CA 3.22Å; A329-L553 PolarHBondContact O-N 3Å
330	T	89.6	Confident	75.7	Confident	30 Å²	30	47.1 Å²	47.1	18%	0.184	25%	0.249	C	C	.	.	S	Bend	trans	-72.9	-32.3	172.7	-47.7	0	0	0	0	111.6	K393 G394 I552	T330-K393 PolarHBondContact OG1-O 3.44Å; T330-G394 PolarHBondContact N-O 2.79Å; T330-G394 WeakPolarHBondContact OG1-CA 3.38Å; T330-I552 WeakPolarHBondContact O-CG2 3.27Å
331	D	91.2	Very high	78.7	Confident	12 Å²	12	43.6 Å²	43.6	6%	0.064	24%	0.236	C	C	.	.			trans	-159.4	167	168.8	-156.5	-9.6	0	0	0	107.8	A329 K368 V395 Y396	A329-D331 VanDerWaalsContact C-N 3.31Å; D331-K368 WeakPolarHBondContact OD1-CE 3.32Å; D331-K368 IonicContact OD1-NZ 3.95Å; D331-K368 WeakPolarHBondContact OD2-CE 3.2Å; D331-K368 IonicContact OD2-NZ 2.97Å; D331-K368 PolarHBondContact OD2-NZ 2.63Å; D331-V395 HydrophobicContact CB-CG1 4.27Å; D331-V395 HydrophobicContact CB-CG2 3.89Å; D331-V395 WeakPolarHBondContact O-CA 3.39Å; D331-Y396 PolarHBondContact O-N 3.42Å
332	K	94.8	Very high	81.7	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.5	177.4	-61.7	-165	-64.2	-169.3	0	110	A329 L365 F367 K368 Y396 L548 D550 I552	A329-K332 HydrophobicContact CB-CD 3.99Å; A329-K332 HydrophobicContact CB-CG 3.58Å; K332-L365 WeakPolarHBondContact CE-O 3.29Å; K332-L365 PolarHBondContact NZ-O 3.3Å; K332-F367 HydrophobicContact CB-CB 4.46Å; K332-F367 HydrophobicContact CB-CD1 3.69Å; K332-F367 HydrophobicContact CB-CD2 3.97Å; K332-F367 HydrophobicContact CB-CE1 3.79Å; K332-F367 HydrophobicContact CB-CE2 4.06Å; K332-F367 HydrophobicContact CB-CG 3.78Å; K332-F367 HydrophobicContact CB-CZ 3.97Å; K332-F367 HydrophobicContact CD-CD2 4.24Å; K332-F367 HydrophobicContact CD-CE2 3.75Å; K332-F367 HydrophobicContact CD-CZ 3.96Å; K332-F367 HydrophobicContact CG-CE2 4.42Å; K332-F367 HydrophobicContact CG-CZ 4.32Å; K332-F367 WeakPolarHBondContact O-CA 3.3Å; K332-K368 PolarHBondContact O-N 3Å; K332-Y396 HydrophobicContact CD-CD2 4.21Å; K332-Y396 HydrophobicContact CG-CD2 4.45Å; K332-Y396 HydrophobicContact CG-CG 4.48Å; K332-L548 PolarHBondContact NZ-O 2.85Å; K332-D550 PolarHBondContact NZ-O 3.5Å; K332-I552 HydrophobicContact CB-CD1 4.24Å; K332-I552 HydrophobicContact CD-CG1 4.28Å; K332-I552 HydrophobicContact CG-CD1 4.11Å; K332-I552 HydrophobicContact CG-CG1 3.98Å
333	V	95.4	Very high	84.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134	-173.3	-173.9	0	0	0	0	109.7	K368 F387 L390 L391 V395 Y396 G397 L398	V333-K368 CarbonylContact C-O 3.6Å; V333-K368 WeakPolarHBondContact CA-O 3.44Å; V333-K368 HydrophobicContact CG2-CB 4.44Å; V333-F387 HydrophobicContact CB-CE2 4.41Å; V333-F387 HydrophobicContact CG1-CD2 3.89Å; V333-F387 HydrophobicContact CG1-CE2 3.97Å; V333-L390 HydrophobicContact CG1-CB 3.95Å; V333-L390 HydrophobicContact CG1-CD1 3.78Å; V333-L390 HydrophobicContact CG2-CB 4.18Å; V333-L391 HydrophobicContact CB-CD2 4.18Å; V333-V395 HydrophobicContact CB-CG1 4.4Å; V333-V395 HydrophobicContact CG2-CG1 3.94Å; V333-Y396 PolarHBondContact N-O 2.88Å; V333-G397 WeakPolarHBondContact O-CA 3.45Å; V333-L398 PolarHBondContact O-N 2.84Å
334	A	97.8	Very high	87.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.9	177.8	0	0	0	0	0	112.4	L336 L362 F367 K368 V369 V370 L398	A334-L336 HydrophobicContact CB-CD1 3.79Å; A334-L362 HydrophobicContact CB-CD1 4.03Å; A334-F367 HydrophobicContact CB-CD1 3.89Å; A334-K368 PolarHBondContact N-O 2.75Å; A334-V369 HydrophobicContact CB-CG1 4.27Å; A334-V369 HydrophobicContact CB-CG2 4.22Å; A334-V369 WeakPolarHBondContact O-CA 3.48Å; A334-V370 PolarHBondContact O-N 3.09Å; A334-L398 CarbonylContact C-O 3.51Å; A334-L398 WeakPolarHBondContact CA-O 3.32Å; A334-L398 HydrophobicContact CB-CB 4.11Å; A334-L398 HydrophobicContact CB-CD2 4.13Å
335	L	97.9	Very high	90.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.6	168.3	174.3	61.8	0	0	0	108.6	I337 V370 L372 A383 V384 F387 L398 L399 Y400	L335-I337 HydrophobicContact CD1-CG1 4.22Å; L335-I337 HydrophobicContact CD2-CD1 4.15Å; L335-I337 HydrophobicContact CG-CD1 4.29Å; L335-I337 HydrophobicContact CG-CG1 4.18Å; L335-V370 HydrophobicContact CD1-CB 4.01Å; L335-V370 HydrophobicContact CD1-CG1 4.41Å; L335-L372 HydrophobicContact CD1-CD1 4.15Å; L335-A383 HydrophobicContact CD1-CB 4.46Å; L335-A383 HydrophobicContact CD2-CB 4.46Å; L335-V384 HydrophobicContact CD2-CG2 4.02Å; L335-F387 HydrophobicContact CB-CB 4.09Å; L335-F387 HydrophobicContact CB-CD1 4.49Å; L335-F387 HydrophobicContact CB-CD2 3.72Å; L335-F387 HydrophobicContact CB-CE2 4.23Å; L335-F387 HydrophobicContact CB-CG 3.85Å; L335-F387 HydrophobicContact CD2-CB 3.77Å; L335-F387 HydrophobicContact CD2-CD1 4.48Å; L335-F387 HydrophobicContact CD2-CG 4.15Å; L335-F387 HydrophobicContact CG-CB 4.48Å; L335-L398 PolarHBondContact N-O 2.82Å; L335-L399 HydrophobicContact CB-CD1 3.89Å; L335-L399 HydrophobicContact CD2-CD1 3.75Å; L335-L399 HydrophobicContact CG-CD1 3.81Å; L335-L399 WeakPolarHBondContact O-CA 3.42Å; L335-Y400 PolarHBondContact O-N 3.22Å
336	L	98.6	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.7	179	-78	54.5	0	0	0	108.3	A334 V355 L358 T359 L362 V369 V370 S371 L372 L398 Y400	A334-L336 HydrophobicContact CB-CD1 3.79Å; L336-V355 HydrophobicContact CB-CG1 3.93Å; L336-V355 HydrophobicContact CD2-CG1 4.37Å; L336-L358 HydrophobicContact CD2-CB 3.86Å; L336-T359 VanDerWaalsContact CD2-OG1 3.27Å; L336-T359 WeakPolarHBondContact CD2-OG1 3.41Å; L336-L362 HydrophobicContact CD1-CD1 3.79Å; L336-L362 HydrophobicContact CD2-CD1 4.21Å; L336-V369 HydrophobicContact CD1-CG1 3.72Å; L336-V369 HydrophobicContact CD2-CG1 3.97Å; L336-V369 HydrophobicContact CG-CG1 4.35Å; L336-V370 PolarHBondContact N-O 3.3Å; L336-S371 WeakPolarHBondContact O-CA 3.18Å; L336-L372 PolarHBondContact O-N 2.93Å; L336-L398 HydrophobicContact CD1-CD2 4.31Å; L336-Y400 WeakPolarHBondContact CA-O 3.47Å; L336-Y400 HydrophobicContact CB-CD1 4.24Å; L336-Y400 HydrophobicContact CG-CD1 3.98Å; L336-Y400 HydrophobicContact CG-CG 4.34Å
337	I	98.6	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.5	177.7	-60.3	171.3	0	0	0	109.1	L335 L372 L375 M380 Y400 Y401 A402	L335-I337 HydrophobicContact CD1-CG1 4.22Å; L335-I337 HydrophobicContact CD2-CD1 4.15Å; L335-I337 HydrophobicContact CG-CD1 4.29Å; L335-I337 HydrophobicContact CG-CG1 4.18Å; I337-L372 WeakPolarHBondContact CA-O 3.32Å; I337-L375 HydrophobicContact CD1-CD1 4.15Å; I337-L375 HydrophobicContact CG1-CD1 4.1Å; I337-L375 HydrophobicContact CG2-CD1 4.07Å; I337-L375 HydrophobicContact CG2-CG 4.38Å; I337-M380 HydrophobicContact CD1-CE 4.08Å; I337-M380 HydrophobicContact CG2-CE 4.23Å; I337-Y400 PolarHBondContact N-O 3.38Å; I337-Y401 HydrophobicContact CB-CD2 4.07Å; I337-Y401 HydrophobicContact CG2-CD2 4.02Å; I337-Y401 HydrophobicContact CG2-CE2 4.2Å; I337-Y401 WeakPolarHBondContact O-CA 3.32Å; I337-A402 PolarHBondContact O-N 2.81Å
338	G	98	Very high	94.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.8	172.9	0	0	0	0	0	110.6	L340 L372 L373 D374 A402	G338-L340 WeakPolarHBondContact O-CD1 3.4Å; G338-L372 PolarHBondContact N-O 2.79Å; G338-L373 CarbonylContact O-C 3.59Å; G338-L373 VanDerWaalsContact O-CA 3.23Å; G338-L373 WeakPolarHBondContact O-CA 3.18Å; G338-D374 PolarHBondContact O-N 3.08Å; G338-A402 WeakPolarHBondContact CA-O 3.42Å
339	N	97.8	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.			trans	-106.2	120.4	176.8	-77.2	-8.9	0	0	0	109.9	Y342 L375 M380 A402 V415 V417	N339-Y342 HydrophobicContact CB-CE1 4.39Å; N339-Y342 HydrophobicContact CB-CE2 4.16Å; N339-Y342 WeakPolarHBondContact CB-OH 3Å; N339-Y342 VanDerWaalsContact O-CE2 3.28Å; N339-Y342 WeakPolarHBondContact O-CE2 3.19Å; N339-Y342 PolarHBondContact O-OH 3.17Å; N339-L375 PolarHBondContact OD1-N 3.44Å; N339-M380 PolarHBondContact ND2-SD 3.05Å; N339-A402 PolarHBondContact N-O 2.94Å; N339-V415 PolarHBondContact ND2-O 3.07Å; N339-V417 HydrophobicContact CB-CG1 3.78Å
340	L	94.1	Very high	94.3	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.052	20%	0.198	C	C	.	.			trans	-120.9	-49.8	-172.8	-62.2	95	0	0	0	112.3	G338 Y342 Q347 L348 P351 M352 L373 D374	G338-L340 WeakPolarHBondContact O-CD1 3.4Å; L340-Y342 WeakPolarHBondContact O-CD2 3.42Å; L340-Y342 PolarHBondContact O-N 2.77Å; L340-Q347 VanDerWaalsContact O-CA 3.27Å; L340-Q347 WeakPolarHBondContact O-CA 3.34Å; L340-L348 WeakPolarHBondContact CB-O 3.2Å; L340-L348 PolarHBondContact O-N 2.93Å; L340-P351 HydrophobicContact CD1-CB 3.93Å; L340-P351 HydrophobicContact CD2-CB 4.3Å; L340-P351 HydrophobicContact CG-CB 3.81Å; L340-P351 HydrophobicContact CG-CG 4.02Å; L340-M352 HydrophobicContact CD1-CB 4.42Å; L340-M352 HydrophobicContact CD2-CB 3.67Å; L340-L373 HydrophobicContact CD1-CD2 3.93Å; L340-D374 WeakPolarHBondContact CA-OD1 3.41Å; L340-D374 WeakPolarHBondContact CB-OD1 3.39Å; L340-D374 PolarHBondContact N-OD1 3.06Å
341	S	94.4	Very high	94.4	Very high	57 Å²	57	37 Å²	37	40%	0.399	19%	0.19	S	C	.	.			trans	-94.4	62.6	-164.6	-51.7	0	0	0	0	111.7	D374	S341-D374 VanDerWaalsContact CB-OD2 3.26Å; S341-D374 WeakPolarHBondContact CB-OD2 3.26Å; S341-D374 PolarHBondContact N-OD1 2.91Å; S341-D374 PolarHBondContact OG-OD2 2.93Å
342	Y	95.9	Very high	94.5	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.02	20%	0.195	C	C	.	.			trans	-66.7	135.3	-179.6	-65	-94.8	0	0	0	112.2	N339 L340 H345 L348 Y401 G403 H404 V415 P416	N339-Y342 HydrophobicContact CB-CE1 4.39Å; N339-Y342 HydrophobicContact CB-CE2 4.16Å; N339-Y342 WeakPolarHBondContact CB-OH 3Å; N339-Y342 VanDerWaalsContact O-CE2 3.28Å; N339-Y342 WeakPolarHBondContact O-CE2 3.19Å; N339-Y342 PolarHBondContact O-OH 3.17Å; L340-Y342 WeakPolarHBondContact O-CD2 3.42Å; L340-Y342 PolarHBondContact O-N 2.77Å; Y342-H345 HydrophobicContact CD1-CB 4.36Å; Y342-H345 HydrophobicContact CG-CB 4.18Å; Y342-L348 HydrophobicContact CE2-CD1 4.06Å; Y342-L348 HydrophobicContact CE2-CG 4.35Å; Y342-Y401 PolarHBondContact OH-OH 3.46Å; Y342-G403 WeakPolarHBondContact OH-CA 3.09Å; Y342-H404 AromaticContact CD1-CD2 3.81Å; Y342-H404 AromaticContact CD2-CD2 3.48Å; Y342-H404 VanDerWaalsContact CD2-CD2 3.48Å; Y342-H404 WeakPolarHBondContact CD2-CD2 3.38Å; Y342-H404 AromaticContact CD2-NE2 3.92Å; Y342-H404 HydrophobicContact CE1-CB 3.98Å; Y342-H404 AromaticContact CE1-CD2 3.67Å; Y342-H404 AromaticContact CE2-CD2 3.36Å; Y342-H404 WeakPolarHBondContact CE2-CD2 3.37Å; Y342-H404 AromaticContact CG-CD2 3.74Å; Y342-H404 AromaticContact CZ-CD2 3.46Å; Y342-H404 VanDerWaalsContact CZ-CD2 3.46Å; Y342-H404 AromaticContact CZ-CG 3.98Å; Y342-H404 PolarHBondContact OH-N 2.95Å; Y342-V415 HydrophobicContact CE1-CG1 4.26Å; Y342-V415 WeakPolarHBondContact CE1-O 3.45Å; Y342-V415 PolarHBondContact OH-O 2.86Å; Y342-P416 WeakPolarHBondContact CE1-O 3.3Å
343	Q	94.4	Very high	94.3	Very high	131 Å²	131	38.2 Å²	38.2	61%	0.612	20%	0.196	S	C	*	.	S	Bend	trans	-73.3	-41.9	-179.1	-62.9	175.1	19.9	0	0	112.2	V417	Q343-V417 PolarHBondContact N-O 2.84Å
344	N	95.6	Very high	94.2	Very high	78 Å²	78	38.3 Å²	38.3	42%	0.417	20%	0.197	S	C	.	.	S	Bend	trans	-116.7	6.7	-171.1	-53.8	-60.1	0	0	0	113.9	A419 N421	N344-A419 PolarHBondContact ND2-O 3.42Å; N344-N421 HydrophobicContact CB-CB 3.97Å; N344-N421 PolarHBondContact O-ND2 2.87Å
345	H	94.3	Very high	94.1	Very high	29 Å²	29	38.3 Å²	38.3	13%	0.134	20%	0.197	C	C	.	.	S	Bend	trans	-137	165.3	-173.8	-61.7	-73.2	0	0	0	111	Y342 Q347 A419 P420 Y423	Y342-H345 HydrophobicContact CD1-CB 4.36Å; Y342-H345 HydrophobicContact CG-CB 4.18Å; H345-Q347 PolarHBondContact O-N 3.1Å; H345-A419 PolarHBondContact NE2-O 3.38Å; H345-P420 PolarHBondContact CE1-O 2.97Å; H345-P420 PolarHBondContact NE2-O 3.41Å; H345-Y423 AromaticContact CE1-CD1 3.38Å; H345-Y423 WeakPolarHBondContact CE1-CD1 3.48Å; H345-Y423 AromaticContact CE1-CE1 3.34Å; H345-Y423 WeakPolarHBondContact CE1-CE1 3.4Å; H345-Y423 AromaticContact ND1-CE1 3.87Å; H345-Y423 AromaticContact NE2-CD1 3.36Å; H345-Y423 WeakPolarHBondContact NE2-CD1 3.18Å; H345-Y423 AromaticContact NE2-CE1 3.65Å
346	P	92.6	Very high	93.9	Very high	93 Å²	93	39.4 Å²	39.4	60%	0.604	20%	0.201	S	C	*	.			trans	-57.1	135.3	178.4	-25.2	35.4	0	0	0	112.3	H404	P346-H404 PolarHBondContact O-NE2 2.87Å
347	Q	92.1	Very high	93.7	Very high	139 Å²	139	41.1 Å²	41.1	65%	0.65	21%	0.211	S	C	*	.			trans	-74.6	151.3	175.6	-63.5	-176.5	2.9	0	0	111.4	L340 H345	L340-Q347 VanDerWaalsContact O-CA 3.27Å; L340-Q347 WeakPolarHBondContact O-CA 3.34Å; H345-Q347 PolarHBondContact O-N 3.1Å
348	L	90.6	Very high	93.6	Very high	37 Å²	37	41.3 Å²	41.3	19%	0.194	21%	0.211	C	C	.	.			trans	-115.5	161.9	176.8	-55.8	174.8	0	0	0	110.1	L340 Y342 P351	L340-L348 WeakPolarHBondContact CB-O 3.2Å; L340-L348 PolarHBondContact O-N 2.93Å; Y342-L348 HydrophobicContact CE2-CD1 4.06Å; Y342-L348 HydrophobicContact CE2-CG 4.35Å; L348-P351 HydrophobicContact CB-CG 4.01Å; L348-P351 HydrophobicContact CD1-CG 4.27Å
349	K	86.6	Confident	93.4	Very high	169 Å²	169	41.4 Å²	41.4	74%	0.735	21%	0.212	S	C	*	.	S	Bend	trans	-124.2	-37.5	-179.5	-65.1	-175.7	-179.9	-176.2	0	113.4	E488	K349-E488 PolarHBondContact N-OE2 2.88Å
350	A	89.3	Confident	93	Very high	8 Å²	8	42.8 Å²	42.8	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-36.2	-177.8	0	0	0	0	0	115.7	M352 V353 D354 E488	A350-M352 PolarHBondContact O-N 2.59Å; A350-V353 PolarHBondContact O-N 3.08Å; A350-V353 VanDerWaalsContact O-N 3.08Å; A350-D354 PolarHBondContact O-N 3.42Å; A350-D354 VanDerWaalsContact O-N 3.07Å; A350-E488 HydrophobicContact CB-CB 3.78Å; A350-E488 PolarHBondContact N-OE2 2.93Å
351	P	93.6	Very high	93.1	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.032	22%	0.223	C	C	.	.	H	α-helix	trans	-56.8	-30.4	-171.1	-28.1	34.5	0	0	0	114.9	L340 L348 D354 V355 A402	L340-P351 HydrophobicContact CD1-CB 3.93Å; L340-P351 HydrophobicContact CD2-CB 4.3Å; L340-P351 HydrophobicContact CG-CB 3.81Å; L340-P351 HydrophobicContact CG-CG 4.02Å; L348-P351 HydrophobicContact CB-CG 4.01Å; L348-P351 HydrophobicContact CD1-CG 4.27Å; P351-D354 PolarHBondContact O-N 2.69Å; P351-V355 WeakPolarHBondContact O-CB 3.35Å; P351-V355 VanDerWaalsContact O-CG2 3.23Å; P351-V355 WeakPolarHBondContact O-CG2 3.24Å; P351-V355 PolarHBondContact O-N 3.3Å; P351-A402 HydrophobicContact CB-CB 3.74Å; P351-A402 HydrophobicContact CG-CB 4.12Å
352	M	91.3	Very high	93.2	Very high	31 Å²	31	40.9 Å²	40.9	15%	0.153	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-51.1	178.3	177.8	-173.5	-66.8	0	0	111.3	L340 A350 D354 Y356 L373 F596 L646	L340-M352 HydrophobicContact CD1-CB 4.42Å; L340-M352 HydrophobicContact CD2-CB 3.67Å; A350-M352 PolarHBondContact O-N 2.59Å; M352-D354 VanDerWaalsContact C-N 3.32Å; M352-Y356 WeakPolarHBondContact O-CB 3.49Å; M352-Y356 PolarHBondContact O-N 3.11Å; M352-Y356 VanDerWaalsContact O-N 3.13Å; M352-L373 HydrophobicContact CB-CD1 4.43Å; M352-L373 HydrophobicContact CE-CD1 4.31Å; M352-L373 HydrophobicContact CG-CD1 4.1Å; M352-F596 HydrophobicContact CG-CE2 4.05Å; M352-F596 HydrophobicContact CG-CZ 3.84Å; M352-F596 WeakPolarHBondContact O-CZ 3.4Å; M352-L646 HydrophobicContact CG-CD1 3.92Å; M352-L646 HydrophobicContact SD-CD1 4.47Å
353	V	91.5	Very high	93	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.048	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-38	-179.9	-171.3	0	0	0	0	110.4	A350 Y356 D357 F494 L646	A350-V353 PolarHBondContact O-N 3.08Å; A350-V353 VanDerWaalsContact O-N 3.08Å; V353-Y356 PolarHBondContact O-N 3.05Å; V353-D357 WeakPolarHBondContact O-CB 3.12Å; V353-D357 PolarHBondContact O-N 2.77Å; V353-F494 HydrophobicContact CG2-CB 3.76Å; V353-F494 HydrophobicContact CG2-CD1 4.2Å; V353-F494 HydrophobicContact CG2-CG 4.47Å; V353-L646 HydrophobicContact CG2-CD2 4.5Å
354	D	94.4	Very high	92.9	Very high	2 Å²	2	43 Å²	43	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-48.1	-178.4	-71.7	-18.1	0	0	0	112.6	A350 P351 M352 Y356 L358 Y400 N496 G497 V500	A350-D354 PolarHBondContact O-N 3.42Å; A350-D354 VanDerWaalsContact O-N 3.07Å; P351-D354 PolarHBondContact O-N 2.69Å; M352-D354 VanDerWaalsContact C-N 3.32Å; D354-Y356 VanDerWaalsContact C-N 3.32Å; D354-Y356 PolarHBondContact O-N 3.02Å; D354-L358 WeakPolarHBondContact O-CB 3.49Å; D354-L358 WeakPolarHBondContact O-CG 3.36Å; D354-L358 PolarHBondContact O-N 3.03Å; D354-Y400 WeakPolarHBondContact CB-OH 3.38Å; D354-N496 WeakPolarHBondContact OD1-CA 3.33Å; D354-N496 WeakPolarHBondContact OD1-CB 3.47Å; D354-N496 PolarHBondContact OD1-ND2 3.12Å; D354-G497 PolarHBondContact OD1-N 2.72Å; D354-G497 WeakPolarHBondContact OD2-CA 3.37Å; D354-G497 PolarHBondContact OD2-N 3.31Å; D354-V500 HydrophobicContact CB-CB 4.08Å; D354-V500 HydrophobicContact CB-CG1 4.26Å; D354-V500 HydrophobicContact CB-CG2 3.75Å; D354-V500 WeakPolarHBondContact OD1-CB 3.34Å
355	V	95.6	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-42.2	174.9	169.8	0	0	0	0	110.6	L336 P351 T359 L373 Y400 F596	L336-V355 HydrophobicContact CB-CG1 3.93Å; L336-V355 HydrophobicContact CD2-CG1 4.37Å; P351-V355 WeakPolarHBondContact O-CB 3.35Å; P351-V355 VanDerWaalsContact O-CG2 3.23Å; P351-V355 WeakPolarHBondContact O-CG2 3.24Å; P351-V355 PolarHBondContact O-N 3.3Å; V355-T359 VanDerWaalsContact O-CB 3.27Å; V355-T359 WeakPolarHBondContact O-CB 3.36Å; V355-T359 PolarHBondContact O-N 3.04Å; V355-T359 PolarHBondContact O-OG1 3.38Å; V355-L373 HydrophobicContact CB-CD2 4.46Å; V355-Y400 HydrophobicContact CG2-CD1 4.19Å; V355-Y400 HydrophobicContact CG2-CE1 3.8Å; V355-F596 HydrophobicContact CB-CE1 4.12Å; V355-F596 HydrophobicContact CG1-CD1 3.94Å; V355-F596 HydrophobicContact CG1-CE1 3.74Å
356	Y	93.2	Very high	92.7	Very high	26 Å²	26	43.5 Å²	43.5	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-51.1	-179.7	179.3	-100.2	0	0	0	112.6	M352 V353 D354 L358 T359 N360 L646 L647 I806	M352-Y356 WeakPolarHBondContact O-CB 3.49Å; M352-Y356 PolarHBondContact O-N 3.11Å; M352-Y356 VanDerWaalsContact O-N 3.13Å; V353-Y356 PolarHBondContact O-N 3.05Å; D354-Y356 VanDerWaalsContact C-N 3.32Å; D354-Y356 PolarHBondContact O-N 3.02Å; Y356-L358 PolarHBondContact O-N 3.12Å; Y356-T359 WeakPolarHBondContact O-CB 3.46Å; Y356-T359 PolarHBondContact O-N 2.63Å; Y356-N360 WeakPolarHBondContact CE1-ND2 3.41Å; Y356-N360 PolarHBondContact O-N 3.17Å; Y356-N360 VanDerWaalsContact O-N 3.14Å; Y356-N360 PolarHBondContact O-ND2 3.19Å; Y356-L646 HydrophobicContact CD1-CB 4.19Å; Y356-L646 HydrophobicContact CD1-CD1 4.14Å; Y356-L646 HydrophobicContact CD1-CD2 3.89Å; Y356-L646 HydrophobicContact CD1-CG 4.3Å; Y356-L646 HydrophobicContact CD2-CB 4.11Å; Y356-L646 HydrophobicContact CD2-CD1 3.82Å; Y356-L646 HydrophobicContact CD2-CG 4.49Å; Y356-L646 HydrophobicContact CE1-CB 3.93Å; Y356-L646 HydrophobicContact CE1-CD2 4.2Å; Y356-L646 HydrophobicContact CE1-CG 4.49Å; Y356-L646 HydrophobicContact CE2-CB 3.87Å; Y356-L646 HydrophobicContact CE2-CD1 4.43Å; Y356-L646 HydrophobicContact CG-CB 4.23Å; Y356-L646 HydrophobicContact CG-CD1 3.62Å; Y356-L646 HydrophobicContact CG-CD2 4.24Å; Y356-L646 HydrophobicContact CG-CG 4.25Å; Y356-L646 PolarHBondContact OH-O 3.19Å; Y356-L647 HydrophobicContact CE2-CD2 4.2Å; Y356-I806 HydrophobicContact CE2-CD1 3.73Å; Y356-I806 WeakPolarHBondContact OH-CD1 3.36Å
357	D	93.3	Very high	92.8	Very high	36 Å²	36	39.6 Å²	39.6	19%	0.193	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-46.3	179.1	-83.7	-4.8	0	0	0	111.3	V353 T359 N360 L361 N496 K504	V353-D357 WeakPolarHBondContact O-CB 3.12Å; V353-D357 PolarHBondContact O-N 2.77Å; D357-T359 VanDerWaalsContact C-N 3.34Å; D357-T359 PolarHBondContact O-N 3.49Å; D357-N360 PolarHBondContact O-N 2.94Å; D357-L361 WeakPolarHBondContact O-CG 3.37Å; D357-L361 PolarHBondContact O-N 2.9Å; D357-L361 VanDerWaalsContact O-N 3.08Å; D357-N496 PolarHBondContact OD2-ND2 2.9Å; D357-N496 PolarHBondContact OD2-OD1 3.24Å; D357-K504 IonicContact OD2-NZ 3.27Å; D357-K504 PolarHBondContact OD2-NZ 3.16Å
358	L	96.4	Very high	92.8	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-35.9	178.4	-71.2	-179.8	0	0	0	112.5	L336 D354 Y356 N360 L361 L362 Y400 V500 L503 L507	L336-L358 HydrophobicContact CD2-CB 3.86Å; D354-L358 WeakPolarHBondContact O-CB 3.49Å; D354-L358 WeakPolarHBondContact O-CG 3.36Å; D354-L358 PolarHBondContact O-N 3.03Å; Y356-L358 PolarHBondContact O-N 3.12Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.21Å; L358-L361 PolarHBondContact O-N 2.72Å; L358-L362 WeakPolarHBondContact O-CB 3.32Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.36Å; L358-L362 PolarHBondContact O-N 3.23Å; L358-Y400 HydrophobicContact CD1-CD1 3.89Å; L358-Y400 HydrophobicContact CD1-CD2 3.57Å; L358-Y400 HydrophobicContact CD1-CE1 3.75Å; L358-Y400 HydrophobicContact CD1-CE2 3.45Å; L358-Y400 VanDerWaalsContact CD1-CE2 3.45Å; L358-Y400 HydrophobicContact CD1-CG 3.8Å; L358-V500 HydrophobicContact CD1-CG1 4.41Å; L358-V500 HydrophobicContact CD1-CG2 3.85Å; L358-V500 HydrophobicContact CD2-CG1 4.22Å; L358-V500 HydrophobicContact CG-CG1 3.97Å; L358-V500 HydrophobicContact CG-CG2 4.33Å; L358-L503 HydrophobicContact CD1-CD2 4.38Å; L358-L503 HydrophobicContact CD2-CD2 3.88Å; L358-L503 HydrophobicContact CD2-CG 4.34Å; L358-L507 HydrophobicContact CD2-CD2 3.79Å
359	T	94.3	Very high	92.9	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-48	175.4	-62.6	0	0	0	0	110.5	L336 V355 Y356 D357 L362 R363 V369 S371	L336-T359 VanDerWaalsContact CD2-OG1 3.27Å; L336-T359 WeakPolarHBondContact CD2-OG1 3.41Å; V355-T359 VanDerWaalsContact O-CB 3.27Å; V355-T359 WeakPolarHBondContact O-CB 3.36Å; V355-T359 PolarHBondContact O-N 3.04Å; V355-T359 PolarHBondContact O-OG1 3.38Å; Y356-T359 WeakPolarHBondContact O-CB 3.46Å; Y356-T359 PolarHBondContact O-N 2.63Å; D357-T359 VanDerWaalsContact C-N 3.34Å; D357-T359 PolarHBondContact O-N 3.49Å; T359-L362 PolarHBondContact O-N 2.95Å; T359-R363 VanDerWaalsContact CG2-CZ 3.42Å; T359-R363 WeakPolarHBondContact O-CB 3.3Å; T359-R363 VanDerWaalsContact O-CG 3.31Å; T359-R363 WeakPolarHBondContact O-CG 3.43Å; T359-R363 PolarHBondContact O-N 3.36Å; T359-V369 HydrophobicContact CG2-CB 4.28Å; T359-V369 HydrophobicContact CG2-CG1 3.89Å; T359-S371 VanDerWaalsContact OG1-CB 3.29Å; T359-S371 WeakPolarHBondContact OG1-CB 3.4Å
360	N	90.6	Very high	93.2	Very high	29 Å²	29	25.4 Å²	25.4	16%	0.155	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-39.6	-178.7	-69.9	-35	0	0	0	112.4	Y356 D357 L358 Q364	Y356-N360 WeakPolarHBondContact CE1-ND2 3.41Å; Y356-N360 PolarHBondContact O-N 3.17Å; Y356-N360 VanDerWaalsContact O-N 3.14Å; Y356-N360 PolarHBondContact O-ND2 3.19Å; D357-N360 PolarHBondContact O-N 2.94Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.21Å; N360-Q364 WeakPolarHBondContact O-CG 3.37Å; N360-Q364 PolarHBondContact O-N 2.63Å; N360-Q364 VanDerWaalsContact O-N 3.15Å
361	L	95.8	Very high	93.5	Very high	23 Å²	23	25.1 Å²	25.1	12%	0.12	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-41.8	176.2	-67.6	173	0	0	0	112.5	D357 L358 R363 Q364 L365 K504 L507 L508	D357-L361 WeakPolarHBondContact O-CG 3.37Å; D357-L361 PolarHBondContact O-N 2.9Å; D357-L361 VanDerWaalsContact O-N 3.08Å; L358-L361 PolarHBondContact O-N 2.72Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.84Å; L361-Q364 WeakPolarHBondContact O-CB 3.21Å; L361-Q364 PolarHBondContact O-N 2.84Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.09Å; L361-L365 VanDerWaalsContact O-N 3.15Å; L361-K504 HydrophobicContact CD1-CB 3.63Å; L361-L507 HydrophobicContact CB-CD2 3.84Å; L361-L507 HydrophobicContact CD1-CB 4.43Å; L361-L507 HydrophobicContact CD1-CD2 4.16Å; L361-L508 HydrophobicContact CB-CD2 4.4Å; L361-L508 HydrophobicContact CD2-CD1 3.78Å; L361-L508 HydrophobicContact CD2-CD2 4.14Å; L361-L508 HydrophobicContact CD2-CG 3.96Å
362	L	96.4	Very high	93.7	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-34.9	178.2	-72.1	170.5	0	0	0	111.8	A334 L336 L358 T359 L365 N366 F367 V369 L398 L507	A334-L362 HydrophobicContact CB-CD1 4.03Å; L336-L362 HydrophobicContact CD1-CD1 3.79Å; L336-L362 HydrophobicContact CD2-CD1 4.21Å; L358-L362 WeakPolarHBondContact O-CB 3.32Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.36Å; L358-L362 PolarHBondContact O-N 3.23Å; T359-L362 PolarHBondContact O-N 2.95Å; L362-L365 HydrophobicContact CD2-CD1 4.43Å; L362-L365 CarbonylContact O-C 3.55Å; L362-L365 WeakPolarHBondContact O-CA 3.36Å; L362-L365 WeakPolarHBondContact O-CB 3.45Å; L362-L365 PolarHBondContact O-N 2.77Å; L362-L365 VanDerWaalsContact O-N 3.08Å; L362-N366 PolarHBondContact O-N 2.97Å; L362-F367 HydrophobicContact CB-CB 4.08Å; L362-F367 HydrophobicContact CB-CD2 4.46Å; L362-F367 HydrophobicContact CB-CG 4.33Å; L362-F367 HydrophobicContact CD2-CD2 4.05Å; L362-F367 HydrophobicContact CD2-CE2 4.17Å; L362-F367 HydrophobicContact CD2-CG 4.28Å; L362-F367 WeakPolarHBondContact O-CB 3.49Å; L362-F367 PolarHBondContact O-N 3.32Å; L362-V369 HydrophobicContact CB-CG2 3.6Å; L362-L398 HydrophobicContact CD1-CD2 3.97Å; L362-L398 HydrophobicContact CD2-CD1 4.02Å; L362-L507 HydrophobicContact CD2-CD2 4.22Å; L362-L507 HydrophobicContact CG-CD2 4.3Å
363	R	90.7	Very high	93.9	Very high	73 Å²	73	23.8 Å²	23.8	28%	0.275	12%	0.115	S	C	.	.	H	α-helix	trans	-61.8	-40.6	170.8	-76	175.8	179.9	156.4	-1.7	112.2	T359 L361 L365 N366 V369	T359-R363 VanDerWaalsContact CG2-CZ 3.42Å; T359-R363 WeakPolarHBondContact O-CB 3.3Å; T359-R363 VanDerWaalsContact O-CG 3.31Å; T359-R363 WeakPolarHBondContact O-CG 3.43Å; T359-R363 PolarHBondContact O-N 3.36Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.84Å; R363-L365 PolarHBondContact O-N 2.85Å; R363-N366 WeakPolarHBondContact O-CA 3.3Å; R363-N366 PolarHBondContact O-N 3.25Å; R363-V369 HydrophobicContact CG-CB 4.44Å; R363-V369 HydrophobicContact CG-CG2 4.06Å
364	Q	92.1	Very high	94.1	Very high	109 Å²	109	25.2 Å²	25.2	51%	0.509	12%	0.122	S	C	.	.	H	α-helix	trans	-61.4	-29.6	172.6	-70.3	173.6	48.7	0	0	112.3	N360 L361 N366 L508	N360-Q364 WeakPolarHBondContact O-CG 3.37Å; N360-Q364 PolarHBondContact O-N 2.63Å; N360-Q364 VanDerWaalsContact O-N 3.15Å; L361-Q364 WeakPolarHBondContact O-CB 3.21Å; L361-Q364 PolarHBondContact O-N 2.84Å; Q364-N366 PolarHBondContact O-N 2.87Å; Q364-L508 HydrophobicContact CB-CD2 4.4Å
365	L	93.6	Very high	94.3	Very high	14 Å²	14	25.1 Å²	25.1	7%	0.073	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	13.5	172.7	-62.9	173.2	0	0	0	112.9	K332 L361 L362 R363 F367 L507 L508 L548 T549	K332-L365 WeakPolarHBondContact CE-O 3.29Å; K332-L365 PolarHBondContact NZ-O 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.09Å; L361-L365 VanDerWaalsContact O-N 3.15Å; L362-L365 HydrophobicContact CD2-CD1 4.43Å; L362-L365 CarbonylContact O-C 3.55Å; L362-L365 WeakPolarHBondContact O-CA 3.36Å; L362-L365 WeakPolarHBondContact O-CB 3.45Å; L362-L365 PolarHBondContact O-N 2.77Å; L362-L365 VanDerWaalsContact O-N 3.08Å; R363-L365 PolarHBondContact O-N 2.85Å; L365-F367 VanDerWaalsContact C-N 3.31Å; L365-F367 HydrophobicContact CB-CD2 3.87Å; L365-F367 HydrophobicContact CB-CE2 4.12Å; L365-F367 PolarHBondContact O-N 3.18Å; L365-L507 HydrophobicContact CD1-CG 4.38Å; L365-L508 HydrophobicContact CD1-CD2 3.98Å; L365-L508 HydrophobicContact CD2-CD2 3.75Å; L365-L508 HydrophobicContact CG-CD2 3.63Å; L365-L548 HydrophobicContact CD1-CB 3.88Å; L365-T549 HydrophobicContact CD2-CG2 3.61Å
366	N	92.8	Very high	94.3	Very high	103 Å²	103	26.3 Å²	26.3	55%	0.551	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	29.6	-178.9	-55.7	-52.3	0	0	0	114.6	L362 R363 Q364 I552	L362-N366 PolarHBondContact O-N 2.97Å; R363-N366 WeakPolarHBondContact O-CA 3.3Å; R363-N366 PolarHBondContact O-N 3.25Å; Q364-N366 PolarHBondContact O-N 2.87Å; N366-I552 HydrophobicContact CB-CD1 4.06Å; N366-I552 WeakPolarHBondContact O-CD1 3.5Å
367	F	94.3	Very high	94.4	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.048	14%	0.135	C	C	.	.			trans	-80.1	144.8	168.4	-78.6	-108.1	0	0	0	111.6	K332 A334 L362 L365 V369 L398 L548	K332-F367 HydrophobicContact CB-CB 4.46Å; K332-F367 HydrophobicContact CB-CD1 3.69Å; K332-F367 HydrophobicContact CB-CD2 3.97Å; K332-F367 HydrophobicContact CB-CE1 3.79Å; K332-F367 HydrophobicContact CB-CE2 4.06Å; K332-F367 HydrophobicContact CB-CG 3.78Å; K332-F367 HydrophobicContact CB-CZ 3.97Å; K332-F367 HydrophobicContact CD-CD2 4.24Å; K332-F367 HydrophobicContact CD-CE2 3.75Å; K332-F367 HydrophobicContact CD-CZ 3.96Å; K332-F367 HydrophobicContact CG-CE2 4.42Å; K332-F367 HydrophobicContact CG-CZ 4.32Å; K332-F367 WeakPolarHBondContact O-CA 3.3Å; A334-F367 HydrophobicContact CB-CD1 3.89Å; L362-F367 HydrophobicContact CB-CB 4.08Å; L362-F367 HydrophobicContact CB-CD2 4.46Å; L362-F367 HydrophobicContact CB-CG 4.33Å; L362-F367 HydrophobicContact CD2-CD2 4.05Å; L362-F367 HydrophobicContact CD2-CE2 4.17Å; L362-F367 HydrophobicContact CD2-CG 4.28Å; L362-F367 WeakPolarHBondContact O-CB 3.49Å; L362-F367 PolarHBondContact O-N 3.32Å; L365-F367 VanDerWaalsContact C-N 3.31Å; L365-F367 HydrophobicContact CB-CD2 3.87Å; L365-F367 HydrophobicContact CB-CE2 4.12Å; L365-F367 PolarHBondContact O-N 3.18Å; F367-V369 HydrophobicContact CB-CG2 3.59Å; F367-V369 PolarHBondContact O-N 3.17Å; F367-L398 HydrophobicContact CE1-CB 4.12Å; F367-L548 HydrophobicContact CE2-CB 4.25Å; F367-L548 HydrophobicContact CZ-CD2 4.02Å
368	K	91.9	Very high	94.4	Very high	34 Å²	34	27.8 Å²	27.8	15%	0.148	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	101.5	160.5	-69.2	175.2	-175.6	175.3	0	108.3	D331 K332 V333 A334 S565 W568	D331-K368 WeakPolarHBondContact OD1-CE 3.32Å; D331-K368 IonicContact OD1-NZ 3.95Å; D331-K368 WeakPolarHBondContact OD2-CE 3.2Å; D331-K368 IonicContact OD2-NZ 2.97Å; D331-K368 PolarHBondContact OD2-NZ 2.63Å; K332-K368 PolarHBondContact O-N 3Å; V333-K368 CarbonylContact C-O 3.6Å; V333-K368 WeakPolarHBondContact CA-O 3.44Å; V333-K368 HydrophobicContact CG2-CB 4.44Å; A334-K368 PolarHBondContact N-O 2.75Å; K368-S565 PolarHBondContact NZ-OG 3.42Å; K368-S565 VanDerWaalsContact NZ-OG 3.1Å; K368-W568 VanDerWaalsContact C-CZ2 3.5Å; K368-W568 HydrophobicContact CB-CD2 3.52Å; K368-W568 HydrophobicContact CB-CE3 3.69Å; K368-W568 HydrophobicContact CB-CG 4.08Å; K368-W568 HydrophobicContact CB-CH2 4.32Å; K368-W568 HydrophobicContact CB-CZ2 4.09Å; K368-W568 HydrophobicContact CB-CZ3 4.04Å; K368-W568 HydrophobicContact CD-CB 4.3Å; K368-W568 HydrophobicContact CD-CD2 4.25Å; K368-W568 HydrophobicContact CD-CG 3.95Å; K368-W568 HydrophobicContact CG-CD2 3.93Å; K368-W568 HydrophobicContact CG-CG 3.97Å
369	V	93.1	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.1	-167.3	-172.3	0	0	0	0	113.5	A334 L336 T359 L362 R363 F367 W568 H572	A334-V369 HydrophobicContact CB-CG1 4.27Å; A334-V369 HydrophobicContact CB-CG2 4.22Å; A334-V369 WeakPolarHBondContact O-CA 3.48Å; L336-V369 HydrophobicContact CD1-CG1 3.72Å; L336-V369 HydrophobicContact CD2-CG1 3.97Å; L336-V369 HydrophobicContact CG-CG1 4.35Å; T359-V369 HydrophobicContact CG2-CB 4.28Å; T359-V369 HydrophobicContact CG2-CG1 3.89Å; L362-V369 HydrophobicContact CB-CG2 3.6Å; R363-V369 HydrophobicContact CG-CB 4.44Å; R363-V369 HydrophobicContact CG-CG2 4.06Å; F367-V369 HydrophobicContact CB-CG2 3.59Å; F367-V369 PolarHBondContact O-N 3.17Å; V369-W568 WeakPolarHBondContact O-CH2 3.36Å; V369-W568 WeakPolarHBondContact O-CZ2 3.28Å; V369-H572 PolarHBondContact O-NE2 3.14Å
370	V	93.5	Very high	94.4	Very high	13 Å²	13	28.1 Å²	28.1	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.7	170.1	-167	0	0	0	0	107.2	A334 L335 L336 L372 W568 I702	A334-V370 PolarHBondContact O-N 3.09Å; L335-V370 HydrophobicContact CD1-CB 4.01Å; L335-V370 HydrophobicContact CD1-CG1 4.41Å; L336-V370 PolarHBondContact N-O 3.3Å; V370-L372 HydrophobicContact CG1-CD1 4.1Å; V370-L372 HydrophobicContact CG1-CD2 4.06Å; V370-L372 HydrophobicContact CG1-CG 3.87Å; V370-W568 HydrophobicContact CB-CH2 4.33Å; V370-W568 HydrophobicContact CB-CZ3 4.34Å; V370-W568 HydrophobicContact CG2-CE3 4.37Å; V370-W568 HydrophobicContact CG2-CH2 3.68Å; V370-W568 HydrophobicContact CG2-CZ3 3.28Å; V370-I702 HydrophobicContact CG1-CD1 3.79Å
371	S	95.4	Very high	94.6	Very high	2 Å²	2	28 Å²	28	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.8	176.6	59.1	0	0	0	0	110.5	L336 T359 S597	L336-S371 WeakPolarHBondContact O-CA 3.18Å; T359-S371 VanDerWaalsContact OG1-CB 3.29Å; T359-S371 WeakPolarHBondContact OG1-CB 3.4Å; S371-S597 PolarHBondContact N-OG 3.5Å; S371-S597 VanDerWaalsContact N-OG 3.08Å; S371-S597 VanDerWaalsContact O-CB 3.23Å; S371-S597 WeakPolarHBondContact O-CB 3.41Å; S371-S597 PolarHBondContact O-N 2.93Å; S371-S597 PolarHBondContact O-OG 3.15Å
372	L	96.6	Very high	94.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.1	-173.2	-61.2	172.5	0	0	0	110.8	L335 L336 I337 G338 V370 L375 A383 N598 I702 L707	L335-L372 HydrophobicContact CD1-CD1 4.15Å; L336-L372 PolarHBondContact O-N 2.93Å; I337-L372 WeakPolarHBondContact CA-O 3.32Å; G338-L372 PolarHBondContact N-O 2.79Å; V370-L372 HydrophobicContact CG1-CD1 4.1Å; V370-L372 HydrophobicContact CG1-CD2 4.06Å; V370-L372 HydrophobicContact CG1-CG 3.87Å; L372-L375 HydrophobicContact CB-CD1 3.74Å; L372-L375 HydrophobicContact CB-CD2 4.05Å; L372-L375 HydrophobicContact CB-CG 4.03Å; L372-L375 HydrophobicContact CD1-CD1 3.73Å; L372-L375 HydrophobicContact CG-CD1 4.36Å; L372-A383 HydrophobicContact CD1-CB 3.58Å; L372-N598 WeakPolarHBondContact CA-OD1 3.24Å; L372-N598 HydrophobicContact CD2-CB 3.74Å; L372-I702 HydrophobicContact CD2-CB 4.24Å; L372-I702 HydrophobicContact CD2-CD1 4.15Å; L372-I702 HydrophobicContact CD2-CG1 3.85Å; L372-I702 HydrophobicContact CD2-CG2 4.34Å; L372-L707 HydrophobicContact CD1-CD1 4.44Å
373	L	96.3	Very high	94.3	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.3	174.2	-62	-173.1	0	0	0	112.8	G338 L340 M352 V355 F596 N598	G338-L373 CarbonylContact O-C 3.59Å; G338-L373 VanDerWaalsContact O-CA 3.23Å; G338-L373 WeakPolarHBondContact O-CA 3.18Å; L340-L373 HydrophobicContact CD1-CD2 3.93Å; M352-L373 HydrophobicContact CB-CD1 4.43Å; M352-L373 HydrophobicContact CE-CD1 4.31Å; M352-L373 HydrophobicContact CG-CD1 4.1Å; V355-L373 HydrophobicContact CB-CD2 4.46Å; L373-F596 HydrophobicContact CD1-CD1 4.34Å; L373-F596 HydrophobicContact CD1-CD2 3.53Å; L373-F596 HydrophobicContact CD1-CE1 4.2Å; L373-F596 HydrophobicContact CD1-CE2 3.36Å; L373-F596 HydrophobicContact CD1-CG 4.04Å; L373-F596 HydrophobicContact CD1-CZ 3.73Å; L373-F596 HydrophobicContact CD2-CD1 4.31Å; L373-F596 HydrophobicContact CD2-CE1 4.12Å; L373-F596 HydrophobicContact CD2-CZ 4.32Å; L373-F596 HydrophobicContact CG-CD1 4.06Å; L373-F596 HydrophobicContact CG-CD2 3.99Å; L373-F596 HydrophobicContact CG-CE1 4.19Å; L373-F596 HydrophobicContact CG-CE2 4.12Å; L373-F596 HydrophobicContact CG-CG 3.97Å; L373-F596 HydrophobicContact CG-CZ 4.23Å; L373-N598 PolarHBondContact N-ND2 3.15Å; L373-N598 PolarHBondContact N-OD1 2.89Å; L373-N598 PolarHBondContact O-ND2 3.23Å
374	D	96.5	Very high	94.5	Very high	37 Å²	37	24.5 Å²	24.5	20%	0.198	13%	0.127	C	C	.	.	S	Bend	trans	50.1	61.9	168.4	-69.7	-28.6	0	0	0	114.1	G338 L340 S341 V417	G338-D374 PolarHBondContact O-N 3.08Å; L340-D374 WeakPolarHBondContact CA-OD1 3.41Å; L340-D374 WeakPolarHBondContact CB-OD1 3.39Å; L340-D374 PolarHBondContact N-OD1 3.06Å; S341-D374 VanDerWaalsContact CB-OD2 3.26Å; S341-D374 WeakPolarHBondContact CB-OD2 3.26Å; S341-D374 PolarHBondContact N-OD1 2.91Å; S341-D374 PolarHBondContact OG-OD2 2.93Å; D374-V417 HydrophobicContact CB-CG1 4.15Å
375	L	96.9	Very high	94.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.			trans	-93.1	136.1	-178.6	-60.7	-172.2	0	0	0	112.4	I337 N339 L372 E379 M380 A383 V417 Q664	I337-L375 HydrophobicContact CD1-CD1 4.15Å; I337-L375 HydrophobicContact CG1-CD1 4.1Å; I337-L375 HydrophobicContact CG2-CD1 4.07Å; I337-L375 HydrophobicContact CG2-CG 4.38Å; N339-L375 PolarHBondContact OD1-N 3.44Å; L372-L375 HydrophobicContact CB-CD1 3.74Å; L372-L375 HydrophobicContact CB-CD2 4.05Å; L372-L375 HydrophobicContact CB-CG 4.03Å; L372-L375 HydrophobicContact CD1-CD1 3.73Å; L372-L375 HydrophobicContact CG-CD1 4.36Å; L375-E379 WeakPolarHBondContact CA-OE2 3.34Å; L375-E379 HydrophobicContact CB-CB 4.16Å; L375-E379 HydrophobicContact CD2-CB 4.11Å; L375-M380 HydrophobicContact CB-CB 4.49Å; L375-M380 HydrophobicContact CB-CG 3.42Å; L375-M380 VanDerWaalsContact CB-CG 3.42Å; L375-M380 HydrophobicContact CD1-CG 4.03Å; L375-M380 HydrophobicContact CG-CG 4.39Å; L375-A383 HydrophobicContact CD1-CB 4.25Å; L375-V417 PolarHBondContact O-N 3.05Å; L375-V417 VanDerWaalsContact O-N 3.15Å; L375-Q664 HydrophobicContact CD2-CG 4.11Å
376	T	95.9	Very high	94.3	Very high	25 Å²	25	21.8 Å²	21.8	15%	0.153	12%	0.115	C	C	.	.			trans	-72.4	167.8	167.1	62.3	0	0	0	0	111.8	S378 E379 M380 V417 D418	T376-S378 VanDerWaalsContact C-N 3.31Å; T376-S378 PolarHBondContact O-N 2.87Å; T376-E379 PolarHBondContact N-OE2 2.82Å; T376-E379 PolarHBondContact O-N 3.04Å; T376-E379 VanDerWaalsContact O-N 3.17Å; T376-E379 WeakPolarHBondContact OG1-CB 3.4Å; T376-E379 WeakPolarHBondContact OG1-CG 3.36Å; T376-E379 PolarHBondContact OG1-N 2.99Å; T376-E379 PolarHBondContact OG1-OE2 3.45Å; T376-M380 WeakPolarHBondContact O-CG 3.38Å; T376-M380 PolarHBondContact O-N 3.47Å; T376-V417 HydrophobicContact CG2-CG2 4.39Å; T376-D418 WeakPolarHBondContact CA-OD1 3.22Å; T376-D418 WeakPolarHBondContact CB-OD1 3.13Å; T376-D418 WeakPolarHBondContact CB-OD2 3.42Å; T376-D418 HydrophobicContact CG2-CB 4.07Å
377	E	95.3	Very high	94.3	Very high	49 Å²	49	17 Å²	17	23%	0.229	9%	0.09	C	C	.	.	H	α-helix	trans	-54.4	-47.9	179.2	-168.8	-156.6	142.2	0	0	112	E379 M380 R381 P416 D418 N427 L429	E377-E379 PolarHBondContact O-N 2.73Å; E377-M380 PolarHBondContact O-N 3.39Å; E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.28Å; E377-R381 PolarHBondContact O-N 2.77Å; E377-R381 VanDerWaalsContact O-N 3.07Å; E377-R381 IonicContact OE1-CZ 3.11Å; E377-R381 IonicContact OE1-NE 3.94Å; E377-R381 PolarHBondContact OE1-NE 2.95Å; E377-R381 IonicContact OE1-NH2 2.87Å; E377-R381 PolarHBondContact OE1-NH2 3.22Å; E377-P416 HydrophobicContact CB-CB 4.14Å; E377-P416 HydrophobicContact CB-CG 3.75Å; E377-P416 HydrophobicContact CG-CG 4.07Å; E377-P416 VanDerWaalsContact N-CB 3.32Å; E377-D418 PolarHBondContact N-OD1 3.14Å; E377-N427 WeakPolarHBondContact OE2-CA 3.5Å; E377-L429 HydrophobicContact CG-CD1 4.34Å
378	S	93.2	Very high	94.2	Very high	44 Å²	44	17.1 Å²	17.1	31%	0.308	9%	0.09	S	C	.	.	H	α-helix	trans	-64.1	-41.2	179.8	-172.5	0	0	0	0	111.7	T376 R381 N382	T376-S378 VanDerWaalsContact C-N 3.31Å; T376-S378 PolarHBondContact O-N 2.87Å; S378-R381 PolarHBondContact O-N 2.94Å; S378-N382 WeakPolarHBondContact O-CB 3.4Å; S378-N382 PolarHBondContact O-N 3.29Å; S378-N382 PolarHBondContact O-ND2 2.93Å
379	E	94.9	Very high	94.1	Very high	13 Å²	13	19.5 Å²	19.5	6%	0.061	10%	0.104	C	C	.	.	H	α-helix	trans	-68.9	-41.8	-179.7	-69.1	162.7	168.7	0	0	111.5	L375 T376 E377 R381 N382 A383 Q664 K665	L375-E379 WeakPolarHBondContact CA-OE2 3.34Å; L375-E379 HydrophobicContact CB-CB 4.16Å; L375-E379 HydrophobicContact CD2-CB 4.11Å; T376-E379 PolarHBondContact N-OE2 2.82Å; T376-E379 PolarHBondContact O-N 3.04Å; T376-E379 VanDerWaalsContact O-N 3.17Å; T376-E379 WeakPolarHBondContact OG1-CB 3.4Å; T376-E379 WeakPolarHBondContact OG1-CG 3.36Å; T376-E379 PolarHBondContact OG1-N 2.99Å; T376-E379 PolarHBondContact OG1-OE2 3.45Å; E377-E379 PolarHBondContact O-N 2.73Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 2.68Å; E379-N382 PolarHBondContact O-N 3.21Å; E379-A383 VanDerWaalsContact O-CB 3.3Å; E379-A383 WeakPolarHBondContact O-CB 3.45Å; E379-A383 PolarHBondContact O-N 2.86Å; E379-Q664 HydrophobicContact CB-CG 4.44Å; E379-Q664 VanDerWaalsContact CD-CG 3.4Å; E379-Q664 HydrophobicContact CG-CG 3.87Å; E379-Q664 WeakPolarHBondContact OE1-CG 3.16Å; E379-Q664 PolarHBondContact OE2-NE2 3.45Å; E379-K665 WeakPolarHBondContact OE1-CG 2.87Å
380	M	96.3	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-43.9	174.1	-72.2	-172.2	71	0	0	111.2	I337 N339 L375 T376 E377 A383 V384 Y401 M414 P416 L429	I337-M380 HydrophobicContact CD1-CE 4.08Å; I337-M380 HydrophobicContact CG2-CE 4.23Å; N339-M380 PolarHBondContact ND2-SD 3.05Å; L375-M380 HydrophobicContact CB-CB 4.49Å; L375-M380 HydrophobicContact CB-CG 3.42Å; L375-M380 VanDerWaalsContact CB-CG 3.42Å; L375-M380 HydrophobicContact CD1-CG 4.03Å; L375-M380 HydrophobicContact CG-CG 4.39Å; T376-M380 WeakPolarHBondContact O-CG 3.38Å; T376-M380 PolarHBondContact O-N 3.47Å; E377-M380 PolarHBondContact O-N 3.39Å; M380-A383 PolarHBondContact O-N 2.61Å; M380-V384 VanDerWaalsContact O-CG2 3.3Å; M380-V384 WeakPolarHBondContact O-CG2 3.38Å; M380-V384 PolarHBondContact O-N 3.32Å; M380-Y401 HydrophobicContact CE-CD2 4.1Å; M380-Y401 HydrophobicContact CE-CE2 3.83Å; M380-M414 HydrophobicContact CE-CB 3.83Å; M380-M414 HydrophobicContact CE-CE 4.18Å; M380-M414 HydrophobicContact CE-SD 4.34Å; M380-P416 HydrophobicContact SD-CB 3.96Å; M380-P416 HydrophobicContact SD-CG 3.83Å; M380-L429 HydrophobicContact CB-CD1 3.68Å; M380-L429 HydrophobicContact CB-CD2 3.69Å; M380-L429 HydrophobicContact CB-CG 4.35Å; M380-L429 HydrophobicContact CE-CD1 4.24Å; M380-L429 HydrophobicContact CE-CD2 4.39Å; M380-L429 HydrophobicContact CG-CD1 4.45Å; M380-L429 HydrophobicContact SD-CD1 4.05Å
381	R	94	Very high	93.8	Very high	26 Å²	26	19.5 Å²	19.5	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-46.6	177.9	-71.2	177.3	-171.6	-53.3	0.3	111.4	E377 S378 E379 V384 D385 A426 C428 L429 L717	E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.28Å; E377-R381 PolarHBondContact O-N 2.77Å; E377-R381 VanDerWaalsContact O-N 3.07Å; E377-R381 IonicContact OE1-CZ 3.11Å; E377-R381 IonicContact OE1-NE 3.94Å; E377-R381 PolarHBondContact OE1-NE 2.95Å; E377-R381 IonicContact OE1-NH2 2.87Å; E377-R381 PolarHBondContact OE1-NH2 3.22Å; S378-R381 PolarHBondContact O-N 2.94Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 2.68Å; R381-V384 PolarHBondContact O-N 3.32Å; R381-D385 PolarHBondContact O-N 2.75Å; R381-A426 PolarHBondContact NH2-O 2.88Å; R381-C428 PolarHBondContact NH2-O 2.98Å; R381-L429 HydrophobicContact CG-CD1 4.28Å; R381-L429 HydrophobicContact CG-CD2 4.11Å; R381-L429 HydrophobicContact CG-CG 4.15Å; R381-L717 HydrophobicContact CB-CD1 4.49Å; R381-L717 VanDerWaalsContact CD-CD1 3.46Å; R381-L717 HydrophobicContact CG-CD1 3.82Å
382	N	92.6	Very high	93.5	Very high	19 Å²	19	21.1 Å²	21.1	10%	0.102	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-37.7	178.8	-71.5	-22.8	0	0	0	112.1	S378 E379 D385 E386 L707 R709	S378-N382 WeakPolarHBondContact O-CB 3.4Å; S378-N382 PolarHBondContact O-N 3.29Å; S378-N382 PolarHBondContact O-ND2 2.93Å; E379-N382 PolarHBondContact O-N 3.21Å; N382-D385 PolarHBondContact O-N 2.86Å; N382-E386 PolarHBondContact O-N 3.42Å; N382-L707 HydrophobicContact CB-CB 4.36Å; N382-L707 HydrophobicContact CB-CD2 3.95Å; N382-L707 PolarHBondContact ND2-O 2.82Å; N382-R709 PolarHBondContact ND2-O 3.25Å; N382-R709 VanDerWaalsContact ND2-O 3.08Å
383	A	93.6	Very high	93.2	Very high	5 Å²	5	28 Å²	28	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-41.2	174.4	0	0	0	0	0	112	L335 L372 L375 E379 M380 E386 F387 L707	L335-A383 HydrophobicContact CD1-CB 4.46Å; L335-A383 HydrophobicContact CD2-CB 4.46Å; L372-A383 HydrophobicContact CD1-CB 3.58Å; L375-A383 HydrophobicContact CD1-CB 4.25Å; E379-A383 VanDerWaalsContact O-CB 3.3Å; E379-A383 WeakPolarHBondContact O-CB 3.45Å; E379-A383 PolarHBondContact O-N 2.86Å; M380-A383 PolarHBondContact O-N 2.61Å; A383-E386 PolarHBondContact O-N 3.49Å; A383-F387 WeakPolarHBondContact O-CB 3.34Å; A383-F387 PolarHBondContact O-N 3.28Å; A383-L707 HydrophobicContact CB-CD1 4.45Å
384	V	95.4	Very high	92.8	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-40.7	174	169.4	0	0	0	0	111.2	L335 M380 R381 F387 L388 L429 I434	L335-V384 HydrophobicContact CD2-CG2 4.02Å; M380-V384 VanDerWaalsContact O-CG2 3.3Å; M380-V384 WeakPolarHBondContact O-CG2 3.38Å; M380-V384 PolarHBondContact O-N 3.32Å; R381-V384 PolarHBondContact O-N 3.32Å; V384-F387 WeakPolarHBondContact O-CB 3.4Å; V384-F387 PolarHBondContact O-N 3.1Å; V384-L388 HydrophobicContact CG1-CD1 3.94Å; V384-L388 HydrophobicContact CG1-CG 4.27Å; V384-L388 WeakPolarHBondContact O-CB 3.5Å; V384-L388 VanDerWaalsContact O-CG 3.24Å; V384-L388 WeakPolarHBondContact O-CG 3.32Å; V384-L388 PolarHBondContact O-N 3.29Å; V384-L429 HydrophobicContact CG2-CD2 4.12Å; V384-I434 HydrophobicContact CG1-CD1 4.05Å; V384-I434 HydrophobicContact CG1-CG1 3.99Å; V384-I434 HydrophobicContact CG1-CG2 3.92Å; V384-I434 HydrophobicContact CG2-CD1 3.9Å
385	D	91.3	Very high	92.6	Very high	34 Å²	34	26.7 Å²	26.7	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-46.3	176	-80.8	-19.5	0	0	0	111.7	R381 N382 F387 L388 L389 S715 C716	R381-D385 PolarHBondContact O-N 2.75Å; N382-D385 PolarHBondContact O-N 2.86Å; D385-F387 VanDerWaalsContact C-N 3.33Å; D385-F387 PolarHBondContact O-N 3.42Å; D385-L388 PolarHBondContact O-N 3.45Å; D385-L389 WeakPolarHBondContact O-CG 3.34Å; D385-L389 PolarHBondContact O-N 3.05Å; D385-S715 WeakPolarHBondContact OD2-CB 3.07Å; D385-C716 WeakPolarHBondContact OD1-CB 3.34Å; D385-C716 PolarHBondContact OD1-SG 3.24Å
386	E	89.4	Confident	92.7	Very high	31 Å²	31	26.8 Å²	26.8	15%	0.145	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-38.7	175.9	-71	-62.2	142.1	0	0	112	N382 A383 L389 L390 Q567 L705 L707	N382-E386 PolarHBondContact O-N 3.42Å; A383-E386 PolarHBondContact O-N 3.49Å; E386-L389 WeakPolarHBondContact O-CB 3.47Å; E386-L389 PolarHBondContact O-N 3.42Å; E386-L390 PolarHBondContact O-N 3.08Å; E386-Q567 PolarHBondContact OE2-NE2 3.41Å; E386-L705 HydrophobicContact CB-CD1 4.25Å; E386-L705 HydrophobicContact CG-CD1 4.02Å; E386-L707 HydrophobicContact CG-CD2 3.99Å
387	F	93.4	Very high	92.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-46.7	172	167.5	-109.9	0	0	0	112	V333 L335 A383 V384 D385 L389 L390 L391 M438	V333-F387 HydrophobicContact CB-CE2 4.41Å; V333-F387 HydrophobicContact CG1-CD2 3.89Å; V333-F387 HydrophobicContact CG1-CE2 3.97Å; L335-F387 HydrophobicContact CB-CB 4.09Å; L335-F387 HydrophobicContact CB-CD1 4.49Å; L335-F387 HydrophobicContact CB-CD2 3.72Å; L335-F387 HydrophobicContact CB-CE2 4.23Å; L335-F387 HydrophobicContact CB-CG 3.85Å; L335-F387 HydrophobicContact CD2-CB 3.77Å; L335-F387 HydrophobicContact CD2-CD1 4.48Å; L335-F387 HydrophobicContact CD2-CG 4.15Å; L335-F387 HydrophobicContact CG-CB 4.48Å; A383-F387 WeakPolarHBondContact O-CB 3.34Å; A383-F387 PolarHBondContact O-N 3.28Å; V384-F387 WeakPolarHBondContact O-CB 3.4Å; V384-F387 PolarHBondContact O-N 3.1Å; D385-F387 VanDerWaalsContact C-N 3.33Å; D385-F387 PolarHBondContact O-N 3.42Å; F387-L389 PolarHBondContact O-N 3.41Å; F387-L390 WeakPolarHBondContact O-CB 3.35Å; F387-L390 PolarHBondContact O-N 3.21Å; F387-L390 VanDerWaalsContact O-N 3.1Å; F387-L391 HydrophobicContact CD1-CD1 4.32Å; F387-L391 HydrophobicContact CE1-CD1 3.79Å; F387-L391 HydrophobicContact CE2-CD2 4.1Å; F387-L391 HydrophobicContact CZ-CD1 3.9Å; F387-L391 HydrophobicContact CZ-CD2 4.14Å; F387-L391 HydrophobicContact CZ-CG 4.4Å; F387-M438 HydrophobicContact CE1-CE 3.83Å; F387-M438 HydrophobicContact CE1-CG 4.36Å; F387-M438 HydrophobicContact CE1-SD 3.89Å; F387-M438 HydrophobicContact CZ-CE 3.75Å; F387-M438 HydrophobicContact CZ-SD 4.4Å
388	L	92.9	Very high	92.9	Very high	12 Å²	12	23.4 Å²	23.4	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-26.7	178.6	-70.3	169.9	0	0	0	113.1	V384 D385 L390 L391 L437 M438 K441	V384-L388 HydrophobicContact CG1-CD1 3.94Å; V384-L388 HydrophobicContact CG1-CG 4.27Å; V384-L388 WeakPolarHBondContact O-CB 3.5Å; V384-L388 VanDerWaalsContact O-CG 3.24Å; V384-L388 WeakPolarHBondContact O-CG 3.32Å; V384-L388 PolarHBondContact O-N 3.29Å; D385-L388 PolarHBondContact O-N 3.45Å; L388-L390 VanDerWaalsContact C-N 3.3Å; L388-L391 HydrophobicContact CD2-CD1 4.11Å; L388-L391 PolarHBondContact O-N 3.29Å; L388-L437 HydrophobicContact CD1-CB 3.83Å; L388-L437 HydrophobicContact CD1-CD1 3.73Å; L388-L437 HydrophobicContact CD1-CG 4.41Å; L388-L437 HydrophobicContact CD2-CB 3.89Å; L388-M438 HydrophobicContact CD2-CG 3.65Å; L388-K441 WeakPolarHBondContact O-CE 3.28Å
389	L	89.6	Confident	93.2	Very high	84 Å²	84	21.3 Å²	21.3	44%	0.44	11%	0.106	S	C	.	.	H	α-helix	trans	-69.1	-27.8	174.6	-71.7	176.1	0	0	0	112.8	D385 E386 F387 L391	D385-L389 WeakPolarHBondContact O-CG 3.34Å; D385-L389 PolarHBondContact O-N 3.05Å; E386-L389 WeakPolarHBondContact O-CB 3.47Å; E386-L389 PolarHBondContact O-N 3.42Å; F387-L389 PolarHBondContact O-N 3.41Å; L389-L391 VanDerWaalsContact C-N 3.33Å
390	L	89.1	Confident	93.4	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-80.4	-16.9	177.6	-62.5	173.3	0	0	0	112.7	V333 E386 F387 L388 H564 Q567 W568	V333-L390 HydrophobicContact CG1-CB 3.95Å; V333-L390 HydrophobicContact CG1-CD1 3.78Å; V333-L390 HydrophobicContact CG2-CB 4.18Å; E386-L390 PolarHBondContact O-N 3.08Å; F387-L390 WeakPolarHBondContact O-CB 3.35Å; F387-L390 PolarHBondContact O-N 3.21Å; F387-L390 VanDerWaalsContact O-N 3.1Å; L388-L390 VanDerWaalsContact C-N 3.3Å; L390-H564 HydrophobicContact CD2-CB 4.16Å; L390-Q567 HydrophobicContact CD2-CB 4.11Å; L390-Q567 HydrophobicContact CD2-CG 4.29Å; L390-W568 HydrophobicContact CD1-CE3 3.91Å; L390-W568 HydrophobicContact CD1-CZ3 4.36Å
391	L	91.4	Very high	93.5	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.103	C	C	.	.			trans	-84.6	136.3	-178.5	-57	-178.9	0	0	0	112	V333 F387 L388 L389 V395 M438 K441 T443	V333-L391 HydrophobicContact CB-CD2 4.18Å; F387-L391 HydrophobicContact CD1-CD1 4.32Å; F387-L391 HydrophobicContact CE1-CD1 3.79Å; F387-L391 HydrophobicContact CE2-CD2 4.1Å; F387-L391 HydrophobicContact CZ-CD1 3.9Å; F387-L391 HydrophobicContact CZ-CD2 4.14Å; F387-L391 HydrophobicContact CZ-CG 4.4Å; L388-L391 HydrophobicContact CD2-CD1 4.11Å; L388-L391 PolarHBondContact O-N 3.29Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L391-V395 HydrophobicContact CD2-CB 4.49Å; L391-V395 HydrophobicContact CD2-CG1 3.69Å; L391-M438 HydrophobicContact CD1-CB 4.19Å; L391-M438 HydrophobicContact CD1-CE 3.77Å; L391-M438 HydrophobicContact CD1-CG 3.64Å; L391-M438 HydrophobicContact CD1-SD 4.4Å; L391-K441 HydrophobicContact CB-CB 4.04Å; L391-K441 HydrophobicContact CB-CG 4.12Å; L391-T443 HydrophobicContact CB-CG2 4.01Å; L391-T443 HydrophobicContact CD1-CG2 4.03Å; L391-T443 HydrophobicContact CD2-CG2 4.35Å; L391-T443 HydrophobicContact CG-CG2 4.35Å
392	H	88.8	Confident	93.7	Very high	37 Å²	37	19.6 Å²	19.6	17%	0.171	10%	0.1	C	C	.	.			trans	-150.1	-173.6	170.8	63.1	78.7	0	0	0	110.5	G394 V395 K441 H564	H392-G394 PolarHBondContact O-N 3.06Å; H392-V395 HydrophobicContact CB-CG2 4.49Å; H392-V395 VanDerWaalsContact CD2-CG2 3.47Å; H392-V395 WeakPolarHBondContact CD2-CG2 3.4Å; H392-V395 WeakPolarHBondContact CE1-CG2 3.5Å; H392-V395 VanDerWaalsContact NE2-CG2 3.34Å; H392-V395 WeakPolarHBondContact NE2-CG2 3.38Å; H392-V395 WeakPolarHBondContact O-CB 3.46Å; H392-V395 WeakPolarHBondContact O-CG2 3.49Å; H392-V395 PolarHBondContact O-N 3.06Å; H392-V395 VanDerWaalsContact O-N 3.08Å; H392-K441 CarbonylContact C-O 3.23Å; H392-K441 WeakPolarHBondContact CA-O 3.46Å; H392-H564 AromaticContact CD2-CE1 3.58Å; H392-H564 AromaticContact CD2-ND1 3.45Å; H392-H564 PolarHBondContact CD2-ND1 3.07Å
393	K	89.4	Confident	93.8	Very high	145 Å²	145	19 Å²	19	63%	0.63	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	125.2	-177.9	-172.5	174	-179.1	172.3	0	111.5	T330 V395 K441 E442	T330-K393 PolarHBondContact OG1-O 3.44Å; K393-V395 VanDerWaalsContact C-N 3.3Å; K393-V395 PolarHBondContact O-N 2.75Å; K393-K441 PolarHBondContact N-O 3.03Å; K393-E442 VanDerWaalsContact CA-O 3.26Å; K393-E442 WeakPolarHBondContact CA-O 2.99Å; K393-E442 HydrophobicContact CB-CB 4.16Å; K393-E442 HydrophobicContact CG-CB 4.11Å
394	G	87.8	Confident	94	Very high	16 Å²	16	20.3 Å²	20.3	17%	0.165	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-2.9	176.3	0	0	0	0	0	116.2	T330 H392 E442	T330-G394 PolarHBondContact N-O 2.79Å; T330-G394 WeakPolarHBondContact OG1-CA 3.38Å; H392-G394 PolarHBondContact O-N 3.06Å; G394-E442 PolarHBondContact N-O 3.45Å
395	V	93.8	Very high	94	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.			trans	-70	141.7	175.4	176.7	0	0	0	0	110.9	D331 V333 L391 H392 K393 T443 G444 L445	D331-V395 HydrophobicContact CB-CG1 4.27Å; D331-V395 HydrophobicContact CB-CG2 3.89Å; D331-V395 WeakPolarHBondContact O-CA 3.39Å; V333-V395 HydrophobicContact CB-CG1 4.4Å; V333-V395 HydrophobicContact CG2-CG1 3.94Å; L391-V395 HydrophobicContact CD2-CB 4.49Å; L391-V395 HydrophobicContact CD2-CG1 3.69Å; H392-V395 HydrophobicContact CB-CG2 4.49Å; H392-V395 VanDerWaalsContact CD2-CG2 3.47Å; H392-V395 WeakPolarHBondContact CD2-CG2 3.4Å; H392-V395 WeakPolarHBondContact CE1-CG2 3.5Å; H392-V395 VanDerWaalsContact NE2-CG2 3.34Å; H392-V395 WeakPolarHBondContact NE2-CG2 3.38Å; H392-V395 WeakPolarHBondContact O-CB 3.46Å; H392-V395 WeakPolarHBondContact O-CG2 3.49Å; H392-V395 PolarHBondContact O-N 3.06Å; H392-V395 VanDerWaalsContact O-N 3.08Å; K393-V395 VanDerWaalsContact C-N 3.3Å; K393-V395 PolarHBondContact O-N 2.75Å; V395-T443 CarbonylContact O-C 3.59Å; V395-T443 WeakPolarHBondContact O-CA 3.3Å; V395-T443 WeakPolarHBondContact O-CB 3.31Å; V395-G444 PolarHBondContact O-N 3.08Å; V395-L445 PolarHBondContact O-N 3.11Å
396	Y	97.9	Very high	94.2	Very high	2 Å²	2	19 Å²	19	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.2	168.9	-68.7	8.8	0	0	0	108.4	A329 D331 K332 V333 L445 R546 A547 D550	A329-Y396 HydrophobicContact CB-CD1 3.65Å; A329-Y396 HydrophobicContact CB-CD2 3.82Å; A329-Y396 HydrophobicContact CB-CE1 3.78Å; A329-Y396 HydrophobicContact CB-CE2 3.96Å; A329-Y396 HydrophobicContact CB-CG 3.67Å; D331-Y396 PolarHBondContact O-N 3.42Å; K332-Y396 HydrophobicContact CD-CD2 4.21Å; K332-Y396 HydrophobicContact CG-CD2 4.45Å; K332-Y396 HydrophobicContact CG-CG 4.48Å; V333-Y396 PolarHBondContact N-O 2.88Å; Y396-L445 HydrophobicContact CD1-CB 3.49Å; Y396-L445 VanDerWaalsContact CD1-CB 3.49Å; Y396-L445 HydrophobicContact CD2-CB 4.09Å; Y396-L445 HydrophobicContact CD2-CD2 3.73Å; Y396-L445 HydrophobicContact CE1-CB 3.83Å; Y396-L445 HydrophobicContact CE2-CB 4.37Å; Y396-L445 HydrophobicContact CE2-CD2 3.96Å; Y396-L445 HydrophobicContact CG-CB 3.64Å; Y396-L445 HydrophobicContact CG-CD2 4.1Å; Y396-L445 HydrophobicContact CG-CG 4.48Å; Y396-R546 HydrophobicContact CE2-CB 4.42Å; Y396-R546 WeakPolarHBondContact OH-CD 3.27Å; Y396-R546 WeakPolarHBondContact OH-CG 3.34Å; Y396-R546 PolarHBondContact OH-NH1 2.88Å; Y396-A547 WeakPolarHBondContact CE2-O 3.43Å; Y396-D550 HydrophobicContact CE2-CB 3.77Å; Y396-D550 VanDerWaalsContact CE2-OD2 3.3Å; Y396-D550 WeakPolarHBondContact CE2-OD2 3.45Å; Y396-D550 PolarHBondContact OH-OD2 2.72Å
397	G	97.9	Very high	94.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.2	176.6	0	0	0	0	0	110.8	V333 L445 V447	V333-G397 WeakPolarHBondContact O-CA 3.45Å; G397-L445 PolarHBondContact N-O 3.22Å; G397-V447 PolarHBondContact O-N 2.87Å
398	L	98.8	Very high	94.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.2	175.2	-173.6	151.2	0	0	0	110.6	V333 A334 L335 L336 L362 F367 V447 L449 L548	V333-L398 PolarHBondContact O-N 2.84Å; A334-L398 CarbonylContact C-O 3.51Å; A334-L398 WeakPolarHBondContact CA-O 3.32Å; A334-L398 HydrophobicContact CB-CB 4.11Å; A334-L398 HydrophobicContact CB-CD2 4.13Å; L335-L398 PolarHBondContact N-O 2.82Å; L336-L398 HydrophobicContact CD1-CD2 4.31Å; L362-L398 HydrophobicContact CD1-CD2 3.97Å; L362-L398 HydrophobicContact CD2-CD1 4.02Å; F367-L398 HydrophobicContact CE1-CB 4.12Å; L398-V447 CarbonylContact C-O 3.57Å; L398-V447 WeakPolarHBondContact CA-O 3.41Å; L398-V447 HydrophobicContact CB-CB 4.34Å; L398-V447 HydrophobicContact CD1-CB 4.15Å; L398-V447 HydrophobicContact CD1-CG1 4.12Å; L398-V447 HydrophobicContact CG-CB 4.07Å; L398-V447 HydrophobicContact CG-CG1 4.29Å; L398-L449 HydrophobicContact CD1-CD1 4.32Å; L398-L548 HydrophobicContact CD1-CD1 4.28Å; L398-L548 HydrophobicContact CD1-CD2 4.24Å
399	L	98.8	Very high	94.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.4	169.6	-176.7	72.3	0	0	0	108.8	L335 M414 I434 V447 F448 L449	L335-L399 HydrophobicContact CB-CD1 3.89Å; L335-L399 HydrophobicContact CD2-CD1 3.75Å; L335-L399 HydrophobicContact CG-CD1 3.81Å; L335-L399 WeakPolarHBondContact O-CA 3.42Å; L399-M414 HydrophobicContact CD2-CE 4.23Å; L399-M414 HydrophobicContact CD2-SD 4.29Å; L399-I434 HydrophobicContact CD2-CD1 4.05Å; L399-V447 PolarHBondContact N-O 2.97Å; L399-F448 HydrophobicContact CB-CD1 3.9Å; L399-F448 HydrophobicContact CB-CE1 4.02Å; L399-F448 HydrophobicContact CD2-CD1 3.79Å; L399-F448 HydrophobicContact CD2-CE1 3.66Å; L399-F448 HydrophobicContact CG-CD1 4.39Å; L399-F448 HydrophobicContact CG-CE1 4.49Å; L399-F448 WeakPolarHBondContact O-CA 3.34Å; L399-L449 PolarHBondContact O-N 2.96Å
400	Y	98.8	Very high	93.9	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.8	169.4	171	-98.6	0	0	0	109.6	L335 L336 I337 D354 V355 L358 A402 L449 D451 F499 V500	L335-Y400 PolarHBondContact O-N 3.22Å; L336-Y400 WeakPolarHBondContact CA-O 3.47Å; L336-Y400 HydrophobicContact CB-CD1 4.24Å; L336-Y400 HydrophobicContact CG-CD1 3.98Å; L336-Y400 HydrophobicContact CG-CG 4.34Å; I337-Y400 PolarHBondContact N-O 3.38Å; D354-Y400 WeakPolarHBondContact CB-OH 3.38Å; V355-Y400 HydrophobicContact CG2-CD1 4.19Å; V355-Y400 HydrophobicContact CG2-CE1 3.8Å; L358-Y400 HydrophobicContact CD1-CD1 3.89Å; L358-Y400 HydrophobicContact CD1-CD2 3.57Å; L358-Y400 HydrophobicContact CD1-CE1 3.75Å; L358-Y400 HydrophobicContact CD1-CE2 3.45Å; L358-Y400 VanDerWaalsContact CD1-CE2 3.45Å; L358-Y400 HydrophobicContact CD1-CG 3.8Å; Y400-A402 HydrophobicContact CE1-CB 3.86Å; Y400-A402 WeakPolarHBondContact OH-CB 3.44Å; Y400-L449 WeakPolarHBondContact CA-O 3.34Å; Y400-L449 HydrophobicContact CD2-CB 3.71Å; Y400-L449 WeakPolarHBondContact CD2-O 3.36Å; Y400-D451 HydrophobicContact CE2-CB 3.99Å; Y400-D451 PolarHBondContact OH-OD2 3.45Å; Y400-F499 HydrophobicContact CE2-CE1 4.42Å; Y400-V500 HydrophobicContact CE2-CG2 4.11Å; Y400-V500 WeakPolarHBondContact OH-CG2 3.31Å
401	Y	98.7	Very high	94	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.2	177.1	174	-100.3	0	0	0	110.3	I337 Y342 M380 H404 M414 V415 L449 D451 M452	I337-Y401 HydrophobicContact CB-CD2 4.07Å; I337-Y401 HydrophobicContact CG2-CD2 4.02Å; I337-Y401 HydrophobicContact CG2-CE2 4.2Å; I337-Y401 WeakPolarHBondContact O-CA 3.32Å; Y342-Y401 PolarHBondContact OH-OH 3.46Å; M380-Y401 HydrophobicContact CE-CD2 4.1Å; M380-Y401 HydrophobicContact CE-CE2 3.83Å; Y401-H404 WeakPolarHBondContact CE1-O 3.48Å; Y401-H404 PolarHBondContact OH-O 3.28Å; Y401-M414 VanDerWaalsContact CB-SD 3.55Å; Y401-M414 HydrophobicContact CD1-CB 4.07Å; Y401-M414 HydrophobicContact CD1-CG 3.63Å; Y401-M414 HydrophobicContact CD1-SD 4.07Å; Y401-M414 HydrophobicContact CD2-CB 4.09Å; Y401-M414 HydrophobicContact CD2-CG 4.05Å; Y401-M414 HydrophobicContact CD2-SD 3.73Å; Y401-M414 HydrophobicContact CE1-CB 3.84Å; Y401-M414 HydrophobicContact CE1-CG 3.92Å; Y401-M414 HydrophobicContact CE2-CB 3.89Å; Y401-M414 HydrophobicContact CE2-CG 4.33Å; Y401-M414 HydrophobicContact CE2-SD 4.48Å; Y401-M414 HydrophobicContact CG-CB 4.18Å; Y401-M414 HydrophobicContact CG-CG 3.69Å; Y401-M414 HydrophobicContact CG-SD 3.49Å; Y401-V415 PolarHBondContact OH-N 3.45Å; Y401-V415 PolarHBondContact OH-O 3.47Å; Y401-L449 PolarHBondContact N-O 3Å; Y401-D451 WeakPolarHBondContact O-CA 3.3Å; Y401-D451 PolarHBondContact O-N 3.22Å; Y401-M452 HydrophobicContact CD1-CB 4.16Å; Y401-M452 HydrophobicContact CD1-CG 4.34Å; Y401-M452 HydrophobicContact CD1-SD 3.55Å; Y401-M452 VanDerWaalsContact CD1-SD 3.55Å; Y401-M452 HydrophobicContact CE1-CB 3.98Å; Y401-M452 HydrophobicContact CE1-CG 4.43Å; Y401-M452 HydrophobicContact CE1-SD 3.65Å
402	A	97.6	Very high	94.2	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.7	171.1	0	0	0	0	0	110.4	I337 G338 N339 P351 Y400 D451	I337-A402 PolarHBondContact O-N 2.81Å; G338-A402 WeakPolarHBondContact CA-O 3.42Å; N339-A402 PolarHBondContact N-O 2.94Å; P351-A402 HydrophobicContact CB-CB 3.74Å; P351-A402 HydrophobicContact CG-CB 4.12Å; Y400-A402 HydrophobicContact CE1-CB 3.86Å; Y400-A402 WeakPolarHBondContact OH-CB 3.44Å; A402-D451 WeakPolarHBondContact CA-O 3.3Å; A402-D451 HydrophobicContact CB-CB 4.21Å
403	G	96.3	Very high	94.6	Very high	6 Å²	6	18.3 Å²	18.3	6%	0.062	9%	0.094	C	C	.	.	S	Bend	trans	161.2	-168.5	-176.5	0	0	0	0	0	113.2	Y342 D451 M452	Y342-G403 WeakPolarHBondContact OH-CA 3.09Å; G403-D451 PolarHBondContact N-O 2.76Å; G403-M452 WeakPolarHBondContact O-CA 3.35Å; G403-M452 WeakPolarHBondContact O-CB 3.16Å
404	H	95.9	Very high	95	Very high	34 Å²	34	11.4 Å²	11.4	16%	0.157	6%	0.064	C	C	.	.			trans	-66	141.5	169.7	-73.9	-50.5	0	0	0	110.4	Y342 P346 Y401 V415	Y342-H404 AromaticContact CD1-CD2 3.81Å; Y342-H404 AromaticContact CD2-CD2 3.48Å; Y342-H404 VanDerWaalsContact CD2-CD2 3.48Å; Y342-H404 WeakPolarHBondContact CD2-CD2 3.38Å; Y342-H404 AromaticContact CD2-NE2 3.92Å; Y342-H404 HydrophobicContact CE1-CB 3.98Å; Y342-H404 AromaticContact CE1-CD2 3.67Å; Y342-H404 AromaticContact CE2-CD2 3.36Å; Y342-H404 WeakPolarHBondContact CE2-CD2 3.37Å; Y342-H404 AromaticContact CG-CD2 3.74Å; Y342-H404 AromaticContact CZ-CD2 3.46Å; Y342-H404 VanDerWaalsContact CZ-CD2 3.46Å; Y342-H404 AromaticContact CZ-CG 3.98Å; Y342-H404 PolarHBondContact OH-N 2.95Å; P346-H404 PolarHBondContact O-NE2 2.87Å; Y401-H404 WeakPolarHBondContact CE1-O 3.48Å; Y401-H404 PolarHBondContact OH-O 3.28Å; H404-V415 HydrophobicContact CB-CB 3.93Å; H404-V415 HydrophobicContact CB-CG1 4.39Å; H404-V415 HydrophobicContact CB-CG2 4.3Å; H404-V415 WeakPolarHBondContact O-CB 3.24Å; H404-V415 PolarHBondContact O-N 3.42Å; H404-V415 VanDerWaalsContact O-N 3.07Å
405	G	96.1	Very high	95.4	Very high	6 Å²	6	10.7 Å²	10.7	6%	0.062	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	162.3	-179.2	0	0	0	0	0	110.5	F413 C453	G405-F413 VanDerWaalsContact CA-O 3.22Å; G405-F413 WeakPolarHBondContact CA-O 3.31Å; G405-C453 CarbonylContact C-O 3.45Å; G405-C453 CarbonylContact O-C 3.59Å
406	Y	95.3	Very high	95.6	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.016	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.3	175.2	73.9	-88.6	0	0	0	110.6	N408 F413 V415 Y423 S425 C428 K455 N457 D460	Y406-N408 HydrophobicContact CD2-CB 4.49Å; Y406-N408 HydrophobicContact CE2-CB 4.3Å; Y406-F413 HydrophobicContact CD1-CB 3.69Å; Y406-F413 HydrophobicContact CD2-CB 4.35Å; Y406-F413 AromaticContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CG 4.49Å; Y406-F413 HydrophobicContact CE1-CB 3.31Å; Y406-F413 HydrophobicContact CE1-CD2 4.27Å; Y406-F413 AromaticContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE2-CB 4.04Å; Y406-F413 AromaticContact CE2-CD2 3.39Å; Y406-F413 HydrophobicContact CE2-CD2 3.39Å; Y406-F413 AromaticContact CE2-CE2 3.97Å; Y406-F413 HydrophobicContact CE2-CE2 3.97Å; Y406-F413 AromaticContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CG-CB 4.21Å; Y406-F413 AromaticContact CZ-CD2 3.57Å; Y406-F413 AromaticContact CZ-CG 3.47Å; Y406-F413 VanDerWaalsContact CZ-CG 3.47Å; Y406-F413 PolarHBondContact N-O 3.01Å; Y406-F413 VanDerWaalsContact N-O 3.14Å; Y406-F413 PolarHBondContact O-N 3.34Å; Y406-V415 HydrophobicContact CD1-CG2 4.01Å; Y406-V415 HydrophobicContact CE1-CG2 4.43Å; Y406-Y423 HydrophobicContact CD1-CD2 4.35Å; Y406-Y423 AromaticContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CE1-CD2 4.05Å; Y406-Y423 AromaticContact CE1-CE2 3.83Å; Y406-Y423 HydrophobicContact CE1-CE2 3.83Å; Y406-S425 WeakPolarHBondContact OH-CA 3.4Å; Y406-S425 PolarHBondContact OH-N 2.99Å; Y406-S425 VanDerWaalsContact OH-N 3.15Å; Y406-C428 HydrophobicContact CE1-CB 4.27Å; Y406-K455 WeakPolarHBondContact CA-O 3.43Å; Y406-K455 VanDerWaalsContact CB-O 3.28Å; Y406-K455 WeakPolarHBondContact CB-O 3.48Å; Y406-N457 HydrophobicContact CD1-CB 4.32Å; Y406-N457 HydrophobicContact CD2-CB 3.36Å; Y406-N457 HydrophobicContact CE2-CB 3.69Å; Y406-N457 HydrophobicContact CG-CB 3.7Å; Y406-D460 HydrophobicContact CE2-CB 4.31Å; Y406-D460 WeakPolarHBondContact CE2-OD2 3.11Å; Y406-D460 PolarHBondContact OH-OD2 3.26Å
407	E	94.1	Very high	95.6	Very high	3 Å²	3	11 Å²	11	1%	0.014	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.2	176.9	-175.2	165.1	126.1	0	0	111	N411 S412 R454 K455 R456	E407-N411 VanDerWaalsContact CA-O 3.3Å; E407-N411 WeakPolarHBondContact CA-O 3.36Å; E407-N411 WeakPolarHBondContact CG-O 3.33Å; E407-S412 PolarHBondContact OE2-OG 2.87Å; E407-R454 HydrophobicContact CB-CB 4.15Å; E407-R454 VanDerWaalsContact CD-NH2 3.27Å; E407-R454 IonicContact OE1-CZ 3.53Å; E407-R454 IonicContact OE1-NE 3.36Å; E407-R454 IonicContact OE1-NH2 3.73Å; E407-R454 PolarHBondContact OE1-NH2 2.89Å; E407-R454 IonicContact OE2-CZ 3.92Å; E407-R454 VanDerWaalsContact OE2-CZ 3.26Å; E407-R454 IonicContact OE2-NE 3.61Å; E407-R454 PolarHBondContact OE2-NE 2.69Å; E407-R454 IonicContact OE2-NH2 3.77Å; E407-R454 PolarHBondContact OE2-NH2 3.49Å; E407-K455 PolarHBondContact N-O 3.29Å; E407-R456 WeakPolarHBondContact O-CA 3.49Å
408	N	91.2	Very high	95.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.2	175.6	-79.1	19	0	0	0	109.3	Y406 G410 N411 F413 R456 N457 D460	Y406-N408 HydrophobicContact CD2-CB 4.49Å; Y406-N408 HydrophobicContact CE2-CB 4.3Å; N408-G410 PolarHBondContact O-N 2.8Å; N408-G410 VanDerWaalsContact O-N 3.17Å; N408-N411 PolarHBondContact N-O 3.46Å; N408-N411 WeakPolarHBondContact O-CB 3.42Å; N408-N411 PolarHBondContact O-N 2.79Å; N408-F413 HydrophobicContact CB-CE2 4.49Å; N408-R456 WeakPolarHBondContact OD1-CA 3.17Å; N408-R456 VanDerWaalsContact OD1-CG 3.22Å; N408-R456 WeakPolarHBondContact OD1-CG 3.4Å; N408-N457 PolarHBondContact ND2-O 3.25Å; N408-N457 PolarHBondContact OD1-N 2.69Å; N408-D460 PolarHBondContact ND2-O 2.95Å
409	Y	88.5	Confident	95.5	Very high	117 Å²	117	13.5 Å²	13.5	46%	0.459	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.1	177.5	-49.1	-80.2	0	0	0	114.2	N411 R456 T463	Y409-N411 VanDerWaalsContact C-N 3.3Å; Y409-N411 PolarHBondContact O-N 2.95Å; Y409-R456 PolarHBondContact OH-NH2 2.82Å; Y409-T463 HydrophobicContact CD1-CG2 4.34Å; Y409-T463 HydrophobicContact CD2-CG2 3.54Å; Y409-T463 HydrophobicContact CE1-CG2 4.29Å; Y409-T463 HydrophobicContact CE2-CG2 3.49Å; Y409-T463 VanDerWaalsContact CE2-CG2 3.49Å; Y409-T463 HydrophobicContact CG-CG2 3.97Å
410	G	85.5	Confident	95.3	Very high	23 Å²	23	16 Å²	16	24%	0.237	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	2.9	-178.6	0	0	0	0	0	115.2	N408 Q432	N408-G410 PolarHBondContact O-N 2.8Å; N408-G410 VanDerWaalsContact O-N 3.17Å; G410-Q432 PolarHBondContact O-NE2 3.31Å
411	N	91.2	Very high	95.1	Very high	19 Å²	19	21.4 Å²	21.4	10%	0.102	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.6	169.9	-63.4	-66.8	0	0	0	110	E407 N408 Y409 F413 P464	E407-N411 VanDerWaalsContact CA-O 3.3Å; E407-N411 WeakPolarHBondContact CA-O 3.36Å; E407-N411 WeakPolarHBondContact CG-O 3.33Å; N408-N411 PolarHBondContact N-O 3.46Å; N408-N411 WeakPolarHBondContact O-CB 3.42Å; N408-N411 PolarHBondContact O-N 2.79Å; Y409-N411 VanDerWaalsContact C-N 3.3Å; Y409-N411 PolarHBondContact O-N 2.95Å; N411-F413 HydrophobicContact CB-CE2 3.72Å; N411-F413 HydrophobicContact CB-CZ 4.13Å; N411-F413 WeakPolarHBondContact O-CD2 3.31Å; N411-F413 WeakPolarHBondContact O-CE2 3.43Å; N411-P464 HydrophobicContact CB-CG 4.45Å; N411-P464 PolarHBondContact ND2-O 2.57Å
412	S	95.6	Very high	94.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.2	-177.5	-40.8	0	0	0	0	109.5	E407 V431 Q432	E407-S412 PolarHBondContact OE2-OG 2.87Å; S412-V431 WeakPolarHBondContact O-CG2 3.46Å; S412-V431 PolarHBondContact O-N 3.21Å; S412-Q432 PolarHBondContact OG-NE2 2.95Å
413	F	96.6	Very high	94.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129	-176.1	-66.1	-92.6	0	0	0	110.8	G405 Y406 N408 N411 C428 L429 C430 P464	G405-F413 VanDerWaalsContact CA-O 3.22Å; G405-F413 WeakPolarHBondContact CA-O 3.31Å; Y406-F413 HydrophobicContact CD1-CB 3.69Å; Y406-F413 HydrophobicContact CD2-CB 4.35Å; Y406-F413 AromaticContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CG 4.49Å; Y406-F413 HydrophobicContact CE1-CB 3.31Å; Y406-F413 HydrophobicContact CE1-CD2 4.27Å; Y406-F413 AromaticContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE2-CB 4.04Å; Y406-F413 AromaticContact CE2-CD2 3.39Å; Y406-F413 HydrophobicContact CE2-CD2 3.39Å; Y406-F413 AromaticContact CE2-CE2 3.97Å; Y406-F413 HydrophobicContact CE2-CE2 3.97Å; Y406-F413 AromaticContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CG-CB 4.21Å; Y406-F413 AromaticContact CZ-CD2 3.57Å; Y406-F413 AromaticContact CZ-CG 3.47Å; Y406-F413 VanDerWaalsContact CZ-CG 3.47Å; Y406-F413 PolarHBondContact N-O 3.01Å; Y406-F413 VanDerWaalsContact N-O 3.14Å; Y406-F413 PolarHBondContact O-N 3.34Å; N408-F413 HydrophobicContact CB-CE2 4.49Å; N411-F413 HydrophobicContact CB-CE2 3.72Å; N411-F413 HydrophobicContact CB-CZ 4.13Å; N411-F413 WeakPolarHBondContact O-CD2 3.31Å; N411-F413 WeakPolarHBondContact O-CE2 3.43Å; F413-C428 HydrophobicContact CB-CB 4.16Å; F413-C428 HydrophobicContact CD1-CB 4.27Å; F413-L429 VanDerWaalsContact CA-O 3.32Å; F413-L429 WeakPolarHBondContact CA-O 3.3Å; F413-C430 HydrophobicContact CD1-CB 3.96Å; F413-C430 HydrophobicContact CE1-CB 3.67Å; F413-C430 HydrophobicContact CZ-CB 4.4Å; F413-P464 HydrophobicContact CZ-CG 4.1Å
414	M	98	Very high	94.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	173.8	-56.6	177.3	-65.9	0	0	109	M380 L399 Y401 C428 L429 V431 I434 M452	M380-M414 HydrophobicContact CE-CB 3.83Å; M380-M414 HydrophobicContact CE-CE 4.18Å; M380-M414 HydrophobicContact CE-SD 4.34Å; L399-M414 HydrophobicContact CD2-CE 4.23Å; L399-M414 HydrophobicContact CD2-SD 4.29Å; Y401-M414 VanDerWaalsContact CB-SD 3.55Å; Y401-M414 HydrophobicContact CD1-CB 4.07Å; Y401-M414 HydrophobicContact CD1-CG 3.63Å; Y401-M414 HydrophobicContact CD1-SD 4.07Å; Y401-M414 HydrophobicContact CD2-CB 4.09Å; Y401-M414 HydrophobicContact CD2-CG 4.05Å; Y401-M414 HydrophobicContact CD2-SD 3.73Å; Y401-M414 HydrophobicContact CE1-CB 3.84Å; Y401-M414 HydrophobicContact CE1-CG 3.92Å; Y401-M414 HydrophobicContact CE2-CB 3.89Å; Y401-M414 HydrophobicContact CE2-CG 4.33Å; Y401-M414 HydrophobicContact CE2-SD 4.48Å; Y401-M414 HydrophobicContact CG-CB 4.18Å; Y401-M414 HydrophobicContact CG-CG 3.69Å; Y401-M414 HydrophobicContact CG-SD 3.49Å; M414-C428 WeakPolarHBondContact O-CB 3.17Å; M414-L429 HydrophobicContact CB-CB 4.46Å; M414-L429 HydrophobicContact CE-CB 3.73Å; M414-L429 HydrophobicContact CE-CD2 4.31Å; M414-L429 PolarHBondContact N-O 2.87Å; M414-L429 PolarHBondContact O-N 2.77Å; M414-L429 VanDerWaalsContact O-N 3.08Å; M414-V431 HydrophobicContact CE-CG2 4.21Å; M414-V431 HydrophobicContact CG-CG2 3.87Å; M414-V431 HydrophobicContact SD-CG2 4.1Å; M414-I434 HydrophobicContact CE-CD1 3.57Å; M414-M452 HydrophobicContact CG-SD 4.19Å
415	V	97.9	Very high	94.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-97.2	120.2	-175.2	-176.7	0	0	0	0	110.2	N339 Y342 Y401 H404 Y406 A419 Y423	N339-V415 PolarHBondContact ND2-O 3.07Å; Y342-V415 HydrophobicContact CE1-CG1 4.26Å; Y342-V415 WeakPolarHBondContact CE1-O 3.45Å; Y342-V415 PolarHBondContact OH-O 2.86Å; Y401-V415 PolarHBondContact OH-N 3.45Å; Y401-V415 PolarHBondContact OH-O 3.47Å; H404-V415 HydrophobicContact CB-CB 3.93Å; H404-V415 HydrophobicContact CB-CG1 4.39Å; H404-V415 HydrophobicContact CB-CG2 4.3Å; H404-V415 WeakPolarHBondContact O-CB 3.24Å; H404-V415 PolarHBondContact O-N 3.42Å; H404-V415 VanDerWaalsContact O-N 3.07Å; Y406-V415 HydrophobicContact CD1-CG2 4.01Å; Y406-V415 HydrophobicContact CE1-CG2 4.43Å; V415-A419 HydrophobicContact CG1-CB 3.5Å; V415-A419 VanDerWaalsContact CG1-CB 3.5Å; V415-Y423 HydrophobicContact CG1-CD1 4.33Å; V415-Y423 HydrophobicContact CG1-CE1 4.2Å; V415-Y423 HydrophobicContact CG2-CD2 4.36Å; V415-Y423 HydrophobicContact CG2-CE2 3.8Å
416	P	98.1	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-70.9	162.4	176.3	-20.6	34.4	0	0	0	114.1	Y342 E377 M380 D418 A419 N427 L429	Y342-P416 WeakPolarHBondContact CE1-O 3.3Å; E377-P416 HydrophobicContact CB-CB 4.14Å; E377-P416 HydrophobicContact CB-CG 3.75Å; E377-P416 HydrophobicContact CG-CG 4.07Å; E377-P416 VanDerWaalsContact N-CB 3.32Å; M380-P416 HydrophobicContact SD-CB 3.96Å; M380-P416 HydrophobicContact SD-CG 3.83Å; P416-D418 VanDerWaalsContact C-N 3.26Å; P416-D418 VanDerWaalsContact CB-OD1 3.24Å; P416-D418 WeakPolarHBondContact CB-OD1 3.33Å; P416-D418 PolarHBondContact O-N 3.17Å; P416-A419 VanDerWaalsContact O-CB 3.3Å; P416-A419 WeakPolarHBondContact O-CB 3.42Å; P416-A419 PolarHBondContact O-N 3.48Å; P416-N427 WeakPolarHBondContact CD-O 3.38Å; P416-N427 WeakPolarHBondContact CG-O 3.43Å; P416-L429 HydrophobicContact CG-CD1 4.06Å
417	V	97.4	Very high	93.9	Very high	8 Å²	8	34.5 Å²	34.5	5%	0.048	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.4	-178.4	-60.1	0	0	0	0	114.2	N339 Q343 D374 L375 T376	N339-V417 HydrophobicContact CB-CG1 3.78Å; Q343-V417 PolarHBondContact N-O 2.84Å; D374-V417 HydrophobicContact CB-CG1 4.15Å; L375-V417 PolarHBondContact O-N 3.05Å; L375-V417 VanDerWaalsContact O-N 3.15Å; T376-V417 HydrophobicContact CG2-CG2 4.39Å
418	D	96.4	Very high	94	Very high	55 Å²	55	34.5 Å²	34.5	29%	0.294	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	7.3	178	65.9	-35.2	0	0	0	113.4	T376 E377 P416	T376-D418 WeakPolarHBondContact CA-OD1 3.22Å; T376-D418 WeakPolarHBondContact CB-OD1 3.13Å; T376-D418 WeakPolarHBondContact CB-OD2 3.42Å; T376-D418 HydrophobicContact CG2-CB 4.07Å; E377-D418 PolarHBondContact N-OD1 3.14Å; P416-D418 VanDerWaalsContact C-N 3.26Å; P416-D418 VanDerWaalsContact CB-OD1 3.24Å; P416-D418 WeakPolarHBondContact CB-OD1 3.33Å; P416-D418 PolarHBondContact O-N 3.17Å
419	A	96.7	Very high	94.2	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	20%	0.196	C	C	.	.			trans	-57.3	134.5	179.7	0	0	0	0	0	111.6	N344 H345 V415 P416 Y423	N344-A419 PolarHBondContact ND2-O 3.42Å; H345-A419 PolarHBondContact NE2-O 3.38Å; V415-A419 HydrophobicContact CG1-CB 3.5Å; V415-A419 VanDerWaalsContact CG1-CB 3.5Å; P416-A419 VanDerWaalsContact O-CB 3.3Å; P416-A419 WeakPolarHBondContact O-CB 3.42Å; P416-A419 PolarHBondContact O-N 3.48Å; A419-Y423 HydrophobicContact CB-CD1 4.35Å; A419-Y423 HydrophobicContact CB-CG 4.48Å
420	P	96.4	Very high	94.6	Very high	51 Å²	51	29.8 Å²	29.8	33%	0.331	18%	0.178	S	C	.	.			trans	-68.6	168.8	176	29.5	-34.5	0	0	0	111.1	H345 P422 Y423	H345-P420 PolarHBondContact CE1-O 2.97Å; H345-P420 PolarHBondContact NE2-O 3.41Å; P420-P422 CarbonylContact C-O 3.43Å; P420-P422 CarbonylContact O-C 3.37Å; P420-Y423 WeakPolarHBondContact O-CB 3.42Å; P420-Y423 WeakPolarHBondContact O-CD1 3.36Å; P420-Y423 PolarHBondContact O-N 2.91Å
421	N	94	Very high	95.1	Very high	115 Å²	115	28.7 Å²	28.7	62%	0.615	17%	0.167	S	C	*	.	S	Bend	trans	-123.4	108.6	173.3	-169.6	-1	0	0	0	110	N344	N344-N421 HydrophobicContact CB-CB 3.97Å; N344-N421 PolarHBondContact O-ND2 2.87Å
422	P	93.8	Very high	95.2	Very high	59 Å²	59	28.5 Å²	28.5	38%	0.383	17%	0.166	S	C	.	.	S	Bend	cis	-76.3	165.1	1.3	33.3	-36.1	0	0	0	113.4	P420 H459	P420-P422 CarbonylContact C-O 3.43Å; P420-P422 CarbonylContact O-C 3.37Å; P422-H459 HydrophobicContact CB-CB 4.11Å
423	Y	93.6	Very high	95.1	Very high	42 Å²	42	29 Å²	29	17%	0.165	17%	0.169	C	C	.	.			trans	-116.2	158.1	174.1	52	-97.3	0	0	0	112.4	H345 Y406 V415 A419 P420 N457	H345-Y423 AromaticContact CE1-CD1 3.38Å; H345-Y423 WeakPolarHBondContact CE1-CD1 3.48Å; H345-Y423 AromaticContact CE1-CE1 3.34Å; H345-Y423 WeakPolarHBondContact CE1-CE1 3.4Å; H345-Y423 AromaticContact ND1-CE1 3.87Å; H345-Y423 AromaticContact NE2-CD1 3.36Å; H345-Y423 WeakPolarHBondContact NE2-CD1 3.18Å; H345-Y423 AromaticContact NE2-CE1 3.65Å; Y406-Y423 HydrophobicContact CD1-CD2 4.35Å; Y406-Y423 AromaticContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CE1-CD2 4.05Å; Y406-Y423 AromaticContact CE1-CE2 3.83Å; Y406-Y423 HydrophobicContact CE1-CE2 3.83Å; V415-Y423 HydrophobicContact CG1-CD1 4.33Å; V415-Y423 HydrophobicContact CG1-CE1 4.2Å; V415-Y423 HydrophobicContact CG2-CD2 4.36Å; V415-Y423 HydrophobicContact CG2-CE2 3.8Å; A419-Y423 HydrophobicContact CB-CD1 4.35Å; A419-Y423 HydrophobicContact CB-CG 4.48Å; P420-Y423 WeakPolarHBondContact O-CB 3.42Å; P420-Y423 WeakPolarHBondContact O-CD1 3.36Å; P420-Y423 PolarHBondContact O-N 2.91Å; Y423-N457 PolarHBondContact O-ND2 2.86Å
424	H	93.3	Very high	95.1	Very high	82 Å²	82	29.1 Å²	29.1	38%	0.38	17%	0.17	S	C	.	.			trans	-125.7	172.7	176.8	-56.2	-81	0	0	0	111.1	A426 N427 H459	H424-A426 PolarHBondContact O-N 2.97Å; H424-A426 VanDerWaalsContact O-N 3.09Å; H424-N427 PolarHBondContact N-OD1 3.5Å; H424-N427 WeakPolarHBondContact O-CB 3.14Å; H424-N427 PolarHBondContact O-N 2.83Å; H424-N427 PolarHBondContact O-OD1 2.89Å; H424-H459 PolarHBondContact CE1-O 2.68Å; H424-H459 PolarHBondContact ND1-O 2.79Å
425	S	91.9	Very high	95	Very high	31 Å²	31	29.2 Å²	29.2	22%	0.217	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-55.7	-28.9	178.5	53.3	0	0	0	0	114.5	Y406 N427 C428 D460 S462	Y406-S425 WeakPolarHBondContact OH-CA 3.4Å; Y406-S425 PolarHBondContact OH-N 2.99Å; Y406-S425 VanDerWaalsContact OH-N 3.15Å; S425-N427 PolarHBondContact O-N 3.15Å; S425-C428 PolarHBondContact O-N 3.13Å; S425-C428 VanDerWaalsContact O-N 3.16Å; S425-D460 VanDerWaalsContact CB-OD2 3.26Å; S425-D460 WeakPolarHBondContact CB-OD2 3.49Å; S425-D460 PolarHBondContact N-OD2 3.16Å; S425-D460 PolarHBondContact OG-OD1 3.32Å; S425-S462 WeakPolarHBondContact CB-OG 3.49Å; S425-S462 PolarHBondContact OG-OG 2.83Å
426	A	89	Confident	94.8	Very high	70 Å²	70	32.5 Å²	32.5	58%	0.579	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-62	-31.8	175.9	0	0	0	0	0	112.8	R381 H424 C428	R381-A426 PolarHBondContact NH2-O 2.88Å; H424-A426 PolarHBondContact O-N 2.97Å; H424-A426 VanDerWaalsContact O-N 3.09Å; A426-C428 VanDerWaalsContact C-N 3.28Å
427	N	93.4	Very high	94.7	Very high	44 Å²	44	34.1 Å²	34.1	24%	0.235	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-87.3	3.1	179.6	-52.6	95.2	0	0	0	112.8	E377 P416 H424 S425	E377-N427 WeakPolarHBondContact OE2-CA 3.5Å; P416-N427 WeakPolarHBondContact CD-O 3.38Å; P416-N427 WeakPolarHBondContact CG-O 3.43Å; H424-N427 PolarHBondContact N-OD1 3.5Å; H424-N427 WeakPolarHBondContact O-CB 3.14Å; H424-N427 PolarHBondContact O-N 2.83Å; H424-N427 PolarHBondContact O-OD1 2.89Å; S425-N427 PolarHBondContact O-N 3.15Å
428	C	95.6	Very high	94.6	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	19%	0.191	C	C	.	.	S	Bend	trans	-130.6	170.6	-169.8	-61.8	0	0	0	0	111.3	R381 Y406 F413 M414 S425 A426	R381-C428 PolarHBondContact NH2-O 2.98Å; Y406-C428 HydrophobicContact CE1-CB 4.27Å; F413-C428 HydrophobicContact CB-CB 4.16Å; F413-C428 HydrophobicContact CD1-CB 4.27Å; M414-C428 WeakPolarHBondContact O-CB 3.17Å; S425-C428 PolarHBondContact O-N 3.13Å; S425-C428 VanDerWaalsContact O-N 3.16Å; A426-C428 VanDerWaalsContact C-N 3.28Å
429	L	95.8	Very high	94.4	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.4	177.3	-76.4	81.6	0	0	0	110.4	E377 M380 R381 V384 F413 M414 P416	E377-L429 HydrophobicContact CG-CD1 4.34Å; M380-L429 HydrophobicContact CB-CD1 3.68Å; M380-L429 HydrophobicContact CB-CD2 3.69Å; M380-L429 HydrophobicContact CB-CG 4.35Å; M380-L429 HydrophobicContact CE-CD1 4.24Å; M380-L429 HydrophobicContact CE-CD2 4.39Å; M380-L429 HydrophobicContact CG-CD1 4.45Å; M380-L429 HydrophobicContact SD-CD1 4.05Å; R381-L429 HydrophobicContact CG-CD1 4.28Å; R381-L429 HydrophobicContact CG-CD2 4.11Å; R381-L429 HydrophobicContact CG-CG 4.15Å; V384-L429 HydrophobicContact CG2-CD2 4.12Å; F413-L429 VanDerWaalsContact CA-O 3.32Å; F413-L429 WeakPolarHBondContact CA-O 3.3Å; M414-L429 HydrophobicContact CB-CB 4.46Å; M414-L429 HydrophobicContact CE-CB 3.73Å; M414-L429 HydrophobicContact CE-CD2 4.31Å; M414-L429 PolarHBondContact N-O 2.87Å; M414-L429 PolarHBondContact O-N 2.77Å; M414-L429 VanDerWaalsContact O-N 3.08Å; P416-L429 HydrophobicContact CG-CD1 4.06Å
430	C	95.6	Very high	94.2	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.081	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.5	175.9	178.6	0	0	0	0	110.8	F413 Q432 S433 I434 I466	F413-C430 HydrophobicContact CD1-CB 3.96Å; F413-C430 HydrophobicContact CE1-CB 3.67Å; F413-C430 HydrophobicContact CZ-CB 4.4Å; C430-Q432 VanDerWaalsContact C-N 3.33Å; C430-Q432 PolarHBondContact O-N 2.85Å; C430-S433 WeakPolarHBondContact O-CB 3.26Å; C430-S433 PolarHBondContact O-N 2.91Å; C430-S433 VanDerWaalsContact O-N 3.15Å; C430-I434 PolarHBondContact O-N 3.32Å; C430-I466 WeakPolarHBondContact SG-CD1 3.41Å
431	V	96.6	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-38.6	-177.4	-179.9	0	0	0	0	111.7	S412 M414 S433 I434 L435 F448 L450 F476	S412-V431 WeakPolarHBondContact O-CG2 3.46Å; S412-V431 PolarHBondContact O-N 3.21Å; M414-V431 HydrophobicContact CE-CG2 4.21Å; M414-V431 HydrophobicContact CG-CG2 3.87Å; M414-V431 HydrophobicContact SD-CG2 4.1Å; V431-S433 PolarHBondContact O-N 3.22Å; V431-I434 WeakPolarHBondContact O-CB 3.17Å; V431-I434 PolarHBondContact O-N 3.07Å; V431-I434 VanDerWaalsContact O-N 3.09Å; V431-L435 PolarHBondContact O-N 3.36Å; V431-F448 HydrophobicContact CG1-CD1 3.31Å; V431-F448 HydrophobicContact CG1-CE1 3.54Å; V431-F448 HydrophobicContact CG1-CG 4.09Å; V431-F448 HydrophobicContact CG1-CZ 4.48Å; V431-L450 HydrophobicContact CG1-CD1 4.18Å; V431-L450 HydrophobicContact CG2-CD1 4.07Å; V431-L450 HydrophobicContact CG2-CD2 4.18Å; V431-F476 HydrophobicContact CG1-CE1 3.86Å
432	Q	94.4	Very high	94	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-29.6	178.3	-72.5	69.8	23.8	0	0	112	G410 S412 C430 K436 I466	G410-Q432 PolarHBondContact O-NE2 3.31Å; S412-Q432 PolarHBondContact OG-NE2 2.95Å; C430-Q432 VanDerWaalsContact C-N 3.33Å; C430-Q432 PolarHBondContact O-N 2.85Å; Q432-K436 PolarHBondContact O-N 2.66Å; Q432-K436 VanDerWaalsContact O-N 3.11Å; Q432-I466 HydrophobicContact CB-CD1 3.76Å; Q432-I466 HydrophobicContact CB-CG2 4.35Å
433	S	93.6	Very high	94	Very high	10 Å²	10	35.6 Å²	35.6	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-39.7	174.1	-61.2	0	0	0	0	111.3	C430 V431 K436 L437 I466	C430-S433 WeakPolarHBondContact O-CB 3.26Å; C430-S433 PolarHBondContact O-N 2.91Å; C430-S433 VanDerWaalsContact O-N 3.15Å; V431-S433 PolarHBondContact O-N 3.22Å; S433-K436 PolarHBondContact O-N 3.43Å; S433-L437 WeakPolarHBondContact O-CG 3.43Å; S433-L437 PolarHBondContact O-N 3.49Å; S433-I466 WeakPolarHBondContact OG-CD1 3.39Å
434	I	96.2	Very high	94	Very high	8 Å²	8	34 Å²	34	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-46.7	175.4	-55.2	175.9	0	0	0	110.1	V384 L399 M414 C430 V431 K436 L437 M438 F448	V384-I434 HydrophobicContact CG1-CD1 4.05Å; V384-I434 HydrophobicContact CG1-CG1 3.99Å; V384-I434 HydrophobicContact CG1-CG2 3.92Å; V384-I434 HydrophobicContact CG2-CD1 3.9Å; L399-I434 HydrophobicContact CD2-CD1 4.05Å; M414-I434 HydrophobicContact CE-CD1 3.57Å; C430-I434 PolarHBondContact O-N 3.32Å; V431-I434 WeakPolarHBondContact O-CB 3.17Å; V431-I434 PolarHBondContact O-N 3.07Å; V431-I434 VanDerWaalsContact O-N 3.09Å; I434-K436 VanDerWaalsContact C-N 3.3Å; I434-K436 PolarHBondContact O-N 2.95Å; I434-L437 PolarHBondContact O-N 2.99Å; I434-L437 VanDerWaalsContact O-N 3.08Å; I434-M438 HydrophobicContact CG2-CG 4.39Å; I434-M438 HydrophobicContact CG2-SD 4.23Å; I434-M438 WeakPolarHBondContact O-CG 3.34Å; I434-M438 PolarHBondContact O-N 3.38Å; I434-F448 HydrophobicContact CB-CE1 4.43Å; I434-F448 HydrophobicContact CG2-CE1 4.29Å; I434-F448 HydrophobicContact CG2-CZ 4.43Å
435	L	95.9	Very high	94.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56.4	-43.3	177.2	170.9	59.1	0	0	0	112	V431 L437 M438 Q439 N446 F448 L468 I474 F476	V431-L435 PolarHBondContact O-N 3.36Å; L435-L437 VanDerWaalsContact C-N 3.3Å; L435-L437 PolarHBondContact O-N 2.83Å; L435-M438 PolarHBondContact O-N 3.08Å; L435-Q439 HydrophobicContact CD1-CG 4.17Å; L435-Q439 WeakPolarHBondContact O-CG 3.28Å; L435-Q439 PolarHBondContact O-N 3Å; L435-N446 HydrophobicContact CD1-CB 4.06Å; L435-F448 HydrophobicContact CB-CE2 3.86Å; L435-F448 HydrophobicContact CB-CZ 3.72Å; L435-F448 HydrophobicContact CD1-CE2 3.75Å; L435-F448 HydrophobicContact CD1-CZ 4.38Å; L435-F448 HydrophobicContact CG-CE2 4.26Å; L435-L468 HydrophobicContact CD2-CD1 3.66Å; L435-L468 HydrophobicContact CD2-CD2 4.23Å; L435-L468 HydrophobicContact CG-CD1 4.44Å; L435-L468 HydrophobicContact CG-CD2 4.11Å; L435-I474 HydrophobicContact CD1-CD1 4.13Å; L435-I474 HydrophobicContact CD1-CG1 4.12Å; L435-I474 HydrophobicContact CD1-CG2 3.94Å; L435-I474 HydrophobicContact CD2-CD1 4.21Å; L435-I474 HydrophobicContact CD2-CG2 3.9Å; L435-F476 HydrophobicContact CD2-CE2 3.75Å; L435-F476 HydrophobicContact CD2-CZ 3.73Å
436	K	94.4	Very high	94.5	Very high	69 Å²	69	28.7 Å²	28.7	30%	0.3	15%	0.152	S	C	.	.	H	α-helix	trans	-56.3	-45.5	176.1	-176.4	-176.5	171.9	-170.8	0	111.6	Q432 S433 I434 Q439 E440 I466 L468	Q432-K436 PolarHBondContact O-N 2.66Å; Q432-K436 VanDerWaalsContact O-N 3.11Å; S433-K436 PolarHBondContact O-N 3.43Å; I434-K436 VanDerWaalsContact C-N 3.3Å; I434-K436 PolarHBondContact O-N 2.95Å; K436-Q439 WeakPolarHBondContact O-CB 3.41Å; K436-Q439 PolarHBondContact O-N 2.88Å; K436-E440 WeakPolarHBondContact O-CG 3.12Å; K436-E440 PolarHBondContact O-N 3.22Å; K436-E440 VanDerWaalsContact O-N 3.13Å; K436-I466 HydrophobicContact CB-CG2 4.45Å; K436-I466 HydrophobicContact CD-CG2 4.39Å; K436-L468 HydrophobicContact CB-CD2 3.93Å
437	L	94.4	Very high	95	Very high	35 Å²	35	25.4 Å²	25.4	18%	0.183	13%	0.125	C	C	.	.	H	α-helix	trans	-67.9	-36.2	179.2	-63.3	167.6	0	0	0	112.1	L388 S433 I434 L435 Q439 E440 K441 C716	L388-L437 HydrophobicContact CD1-CB 3.83Å; L388-L437 HydrophobicContact CD1-CD1 3.73Å; L388-L437 HydrophobicContact CD1-CG 4.41Å; L388-L437 HydrophobicContact CD2-CB 3.89Å; S433-L437 WeakPolarHBondContact O-CG 3.43Å; S433-L437 PolarHBondContact O-N 3.49Å; I434-L437 PolarHBondContact O-N 2.99Å; I434-L437 VanDerWaalsContact O-N 3.08Å; L435-L437 VanDerWaalsContact C-N 3.3Å; L435-L437 PolarHBondContact O-N 2.83Å; L437-Q439 VanDerWaalsContact C-N 3.32Å; L437-Q439 PolarHBondContact O-N 3.49Å; L437-E440 WeakPolarHBondContact O-CB 3.47Å; L437-E440 PolarHBondContact O-N 3.17Å; L437-K441 PolarHBondContact O-N 3.14Å; L437-C716 HydrophobicContact CD1-CB 3.29Å
438	M	95.6	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-38.5	172.4	-63.3	176.6	72.9	0	0	111.7	F387 L388 L391 I434 L435 E440 K441 T443 N446 F448	F387-M438 HydrophobicContact CE1-CE 3.83Å; F387-M438 HydrophobicContact CE1-CG 4.36Å; F387-M438 HydrophobicContact CE1-SD 3.89Å; F387-M438 HydrophobicContact CZ-CE 3.75Å; F387-M438 HydrophobicContact CZ-SD 4.4Å; L388-M438 HydrophobicContact CD2-CG 3.65Å; L391-M438 HydrophobicContact CD1-CB 4.19Å; L391-M438 HydrophobicContact CD1-CE 3.77Å; L391-M438 HydrophobicContact CD1-CG 3.64Å; L391-M438 HydrophobicContact CD1-SD 4.4Å; I434-M438 HydrophobicContact CG2-CG 4.39Å; I434-M438 HydrophobicContact CG2-SD 4.23Å; I434-M438 WeakPolarHBondContact O-CG 3.34Å; I434-M438 PolarHBondContact O-N 3.38Å; L435-M438 PolarHBondContact O-N 3.08Å; M438-E440 VanDerWaalsContact C-N 3.31Å; M438-E440 PolarHBondContact O-N 3.28Å; M438-K441 WeakPolarHBondContact O-CB 3.5Å; M438-K441 PolarHBondContact O-N 3.22Å; M438-K441 VanDerWaalsContact O-N 3.08Å; M438-T443 PolarHBondContact O-OG1 2.95Å; M438-N446 WeakPolarHBondContact CB-OD1 3.46Å; M438-N446 HydrophobicContact CE-CB 4.42Å; M438-N446 WeakPolarHBondContact CE-OD1 3.3Å; M438-F448 HydrophobicContact SD-CE1 4.23Å; M438-F448 HydrophobicContact SD-CE2 3.86Å; M438-F448 HydrophobicContact SD-CZ 3.36Å; M438-F448 WeakPolarHBondContact SD-CZ 3.41Å
439	Q	92.3	Very high	95.3	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-33.6	175.4	-69	-174.8	-39.4	0	0	112.8	L435 K436 L437 K441 E442 R469 T471 I474	L435-Q439 HydrophobicContact CD1-CG 4.17Å; L435-Q439 WeakPolarHBondContact O-CG 3.28Å; L435-Q439 PolarHBondContact O-N 3Å; K436-Q439 WeakPolarHBondContact O-CB 3.41Å; K436-Q439 PolarHBondContact O-N 2.88Å; L437-Q439 VanDerWaalsContact C-N 3.32Å; L437-Q439 PolarHBondContact O-N 3.49Å; Q439-K441 PolarHBondContact O-N 3.28Å; Q439-E442 PolarHBondContact O-N 2.96Å; Q439-E442 VanDerWaalsContact O-N 3.11Å; Q439-R469 PolarHBondContact NE2-O 3.23Å; Q439-T471 HydrophobicContact CB-CG2 4.39Å; Q439-T471 HydrophobicContact CG-CG2 4.09Å; Q439-T471 PolarHBondContact NE2-OG1 2.76Å; Q439-T471 VanDerWaalsContact NE2-OG1 3.08Å; Q439-I474 VanDerWaalsContact NE2-CD1 3.35Å
440	E	93.4	Very high	95.5	Very high	112 Å²	112	23.1 Å²	23.1	52%	0.523	11%	0.112	S	C	.	.	H	α-helix	trans	-64.6	-22	174	-69.1	170.7	-169.3	0	0	112.2	K436 L437 M438 E442	K436-E440 WeakPolarHBondContact O-CG 3.12Å; K436-E440 PolarHBondContact O-N 3.22Å; K436-E440 VanDerWaalsContact O-N 3.13Å; L437-E440 WeakPolarHBondContact O-CB 3.47Å; L437-E440 PolarHBondContact O-N 3.17Å; M438-E440 VanDerWaalsContact C-N 3.31Å; M438-E440 PolarHBondContact O-N 3.28Å; E440-E442 VanDerWaalsContact C-N 3.35Å
441	K	91.6	Very high	95.5	Very high	82 Å²	82	23.3 Å²	23.3	36%	0.357	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.4	174	-58.8	-64.2	-173.5	164.1	0	114.3	L388 L391 H392 K393 L437 M438 Q439 T443	L388-K441 WeakPolarHBondContact O-CE 3.28Å; L391-K441 HydrophobicContact CB-CB 4.04Å; L391-K441 HydrophobicContact CB-CG 4.12Å; H392-K441 CarbonylContact C-O 3.23Å; H392-K441 WeakPolarHBondContact CA-O 3.46Å; K393-K441 PolarHBondContact N-O 3.03Å; L437-K441 PolarHBondContact O-N 3.14Å; M438-K441 WeakPolarHBondContact O-CB 3.5Å; M438-K441 PolarHBondContact O-N 3.22Å; M438-K441 VanDerWaalsContact O-N 3.08Å; Q439-K441 PolarHBondContact O-N 3.28Å; K441-T443 VanDerWaalsContact C-N 3.25Å; K441-T443 HydrophobicContact CB-CG2 4.38Å; K441-T443 PolarHBondContact O-N 3.37Å
442	E	93.1	Very high	95.4	Very high	116 Å²	116	23.4 Å²	23.4	54%	0.542	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	35.5	-178.6	-60.4	179.4	-129.5	0	0	113.9	K393 G394 Q439 E440	K393-E442 VanDerWaalsContact CA-O 3.26Å; K393-E442 WeakPolarHBondContact CA-O 2.99Å; K393-E442 HydrophobicContact CB-CB 4.16Å; K393-E442 HydrophobicContact CG-CB 4.11Å; G394-E442 PolarHBondContact N-O 3.45Å; Q439-E442 PolarHBondContact O-N 2.96Å; Q439-E442 VanDerWaalsContact O-N 3.11Å; E440-E442 VanDerWaalsContact C-N 3.35Å
443	T	94.9	Very high	95.3	Very high	6 Å²	6	24 Å²	24	4%	0.037	12%	0.118	C	C	.	.			trans	-51.5	146.8	177	47.3	0	0	0	0	112.2	L391 V395 M438 K441 N446 N473	L391-T443 HydrophobicContact CB-CG2 4.01Å; L391-T443 HydrophobicContact CD1-CG2 4.03Å; L391-T443 HydrophobicContact CD2-CG2 4.35Å; L391-T443 HydrophobicContact CG-CG2 4.35Å; V395-T443 CarbonylContact O-C 3.59Å; V395-T443 WeakPolarHBondContact O-CA 3.3Å; V395-T443 WeakPolarHBondContact O-CB 3.31Å; M438-T443 PolarHBondContact O-OG1 2.95Å; K441-T443 VanDerWaalsContact C-N 3.25Å; K441-T443 HydrophobicContact CB-CG2 4.38Å; K441-T443 PolarHBondContact O-N 3.37Å; T443-N446 WeakPolarHBondContact CB-OD1 3.39Å; T443-N446 PolarHBondContact OG1-ND2 3.42Å; T443-N446 PolarHBondContact OG1-OD1 3.48Å; T443-N473 PolarHBondContact O-ND2 2.93Å
444	G	92.6	Very high	95.3	Very high	9 Å²	9	23.5 Å²	23.5	9%	0.093	12%	0.115	C	C	.	.	S	Bend	trans	-76.9	-31.6	177.8	0	0	0	0	0	112.9	V395 N473 R546	V395-G444 PolarHBondContact O-N 3.08Å; G444-N473 WeakPolarHBondContact O-CB 3.43Å; G444-N473 PolarHBondContact O-ND2 3.34Å; G444-R546 WeakPolarHBondContact O-CD 3.42Å; G444-R546 PolarHBondContact O-NE 3.41Å
445	L	97.8	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.1	177.2	-178.2	66	0	0	0	109.6	V395 Y396 G397 V447 V475 L542 R546 L548	V395-L445 PolarHBondContact O-N 3.11Å; Y396-L445 HydrophobicContact CD1-CB 3.49Å; Y396-L445 VanDerWaalsContact CD1-CB 3.49Å; Y396-L445 HydrophobicContact CD2-CB 4.09Å; Y396-L445 HydrophobicContact CD2-CD2 3.73Å; Y396-L445 HydrophobicContact CE1-CB 3.83Å; Y396-L445 HydrophobicContact CE2-CB 4.37Å; Y396-L445 HydrophobicContact CE2-CD2 3.96Å; Y396-L445 HydrophobicContact CG-CB 3.64Å; Y396-L445 HydrophobicContact CG-CD2 4.1Å; Y396-L445 HydrophobicContact CG-CG 4.48Å; G397-L445 PolarHBondContact N-O 3.22Å; L445-V447 HydrophobicContact CD1-CG2 4.3Å; L445-V447 HydrophobicContact CD2-CG2 3.78Å; L445-V447 HydrophobicContact CG-CG2 3.75Å; L445-V475 HydrophobicContact CD1-CG2 4.41Å; L445-L542 HydrophobicContact CD1-CD1 3.78Å; L445-L542 HydrophobicContact CD1-CD2 3.95Å; L445-L542 HydrophobicContact CD1-CG 4.43Å; L445-R546 HydrophobicContact CD1-CB 4.24Å; L445-R546 HydrophobicContact CD2-CB 4.23Å; L445-L548 HydrophobicContact CD2-CD2 4.32Å
446	N	98.3	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.4	175.8	-60.3	-73.7	0	0	0	109.4	L435 M438 T443 F448 N473 I474 V475	L435-N446 HydrophobicContact CD1-CB 4.06Å; M438-N446 WeakPolarHBondContact CB-OD1 3.46Å; M438-N446 HydrophobicContact CE-CB 4.42Å; M438-N446 WeakPolarHBondContact CE-OD1 3.3Å; T443-N446 WeakPolarHBondContact CB-OD1 3.39Å; T443-N446 PolarHBondContact OG1-ND2 3.42Å; T443-N446 PolarHBondContact OG1-OD1 3.48Å; N446-F448 HydrophobicContact CB-CE2 4.32Å; N446-N473 PolarHBondContact N-O 2.92Å; N446-N473 PolarHBondContact ND2-OD1 3.28Å; N446-I474 CarbonylContact O-C 3.48Å; N446-I474 WeakPolarHBondContact O-CA 3.35Å; N446-V475 PolarHBondContact O-N 2.85Å
447	V	98.7	Very high	94.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	179.7	-171.6	0	0	0	0	110.1	G397 L398 L399 L445 L449 V475 I513 L548	G397-V447 PolarHBondContact O-N 2.87Å; L398-V447 CarbonylContact C-O 3.57Å; L398-V447 WeakPolarHBondContact CA-O 3.41Å; L398-V447 HydrophobicContact CB-CB 4.34Å; L398-V447 HydrophobicContact CD1-CB 4.15Å; L398-V447 HydrophobicContact CD1-CG1 4.12Å; L398-V447 HydrophobicContact CG-CB 4.07Å; L398-V447 HydrophobicContact CG-CG1 4.29Å; L399-V447 PolarHBondContact N-O 2.97Å; L445-V447 HydrophobicContact CD1-CG2 4.3Å; L445-V447 HydrophobicContact CD2-CG2 3.78Å; L445-V447 HydrophobicContact CG-CG2 3.75Å; V447-L449 HydrophobicContact CG1-CD2 3.91Å; V447-L449 HydrophobicContact CG1-CG 3.99Å; V447-V475 CarbonylContact C-O 3.59Å; V447-V475 WeakPolarHBondContact CA-O 3.42Å; V447-I513 HydrophobicContact CG1-CG1 4.46Å; V447-L548 HydrophobicContact CG2-CD2 4.29Å
448	F	98.7	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.9	174.3	-70.8	-94.9	0	0	0	109.2	L399 V431 I434 L435 M438 N446 V475 F476 G477	L399-F448 HydrophobicContact CB-CD1 3.9Å; L399-F448 HydrophobicContact CB-CE1 4.02Å; L399-F448 HydrophobicContact CD2-CD1 3.79Å; L399-F448 HydrophobicContact CD2-CE1 3.66Å; L399-F448 HydrophobicContact CG-CD1 4.39Å; L399-F448 HydrophobicContact CG-CE1 4.49Å; L399-F448 WeakPolarHBondContact O-CA 3.34Å; V431-F448 HydrophobicContact CG1-CD1 3.31Å; V431-F448 HydrophobicContact CG1-CE1 3.54Å; V431-F448 HydrophobicContact CG1-CG 4.09Å; V431-F448 HydrophobicContact CG1-CZ 4.48Å; I434-F448 HydrophobicContact CB-CE1 4.43Å; I434-F448 HydrophobicContact CG2-CE1 4.29Å; I434-F448 HydrophobicContact CG2-CZ 4.43Å; L435-F448 HydrophobicContact CB-CE2 3.86Å; L435-F448 HydrophobicContact CB-CZ 3.72Å; L435-F448 HydrophobicContact CD1-CE2 3.75Å; L435-F448 HydrophobicContact CD1-CZ 4.38Å; L435-F448 HydrophobicContact CG-CE2 4.26Å; M438-F448 HydrophobicContact SD-CE1 4.23Å; M438-F448 HydrophobicContact SD-CE2 3.86Å; M438-F448 HydrophobicContact SD-CZ 3.36Å; M438-F448 WeakPolarHBondContact SD-CZ 3.41Å; N446-F448 HydrophobicContact CB-CE2 4.32Å; F448-V475 PolarHBondContact N-O 3.16Å; F448-F476 HydrophobicContact CB-CD1 3.5Å; F448-F476 VanDerWaalsContact CB-CD1 3.5Å; F448-F476 HydrophobicContact CB-CE1 3.64Å; F448-F476 HydrophobicContact CB-CG 4.17Å; F448-F476 HydrophobicContact CB-CZ 4.41Å; F448-F476 HydrophobicContact CD1-CE1 4.37Å; F448-F476 HydrophobicContact CD2-CE1 4.07Å; F448-F476 HydrophobicContact CD2-CE2 4.46Å; F448-F476 HydrophobicContact CD2-CZ 4.02Å; F448-F476 HydrophobicContact CG-CD1 4.15Å; F448-F476 AromaticContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CZ 4.2Å; F448-F476 CarbonylContact O-C 3.57Å; F448-F476 WeakPolarHBondContact O-CA 3.36Å; F448-G477 PolarHBondContact O-N 3.01Å
449	L	98.5	Very high	94.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	103.9	178	-60.5	-176.5	0	0	0	108	L398 L399 Y400 Y401 V447 G477 F499 L503 L517	L398-L449 HydrophobicContact CD1-CD1 4.32Å; L399-L449 PolarHBondContact O-N 2.96Å; Y400-L449 WeakPolarHBondContact CA-O 3.34Å; Y400-L449 HydrophobicContact CD2-CB 3.71Å; Y400-L449 WeakPolarHBondContact CD2-O 3.36Å; Y401-L449 PolarHBondContact N-O 3Å; V447-L449 HydrophobicContact CG1-CD2 3.91Å; V447-L449 HydrophobicContact CG1-CG 3.99Å; L449-G477 WeakPolarHBondContact CA-O 3.05Å; L449-F499 HydrophobicContact CB-CE1 4.26Å; L449-F499 HydrophobicContact CD2-CZ 4.33Å; L449-L503 HydrophobicContact CD1-CD2 3.9Å; L449-L517 HydrophobicContact CD2-CD1 4.39Å; L449-L517 HydrophobicContact CD2-CD2 4.05Å
450	L	98.1	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	101.7	-169.9	-56.7	-179.3	0	0	0	110.2	V431 M452 F476 G477 Y478 A479	V431-L450 HydrophobicContact CG1-CD1 4.18Å; V431-L450 HydrophobicContact CG2-CD1 4.07Å; V431-L450 HydrophobicContact CG2-CD2 4.18Å; L450-M452 HydrophobicContact CB-CE 4.19Å; L450-M452 HydrophobicContact CB-CG 4.31Å; L450-M452 HydrophobicContact CB-SD 4.46Å; L450-M452 HydrophobicContact CD1-CE 3.84Å; L450-M452 HydrophobicContact CG-CE 4.45Å; L450-M452 PolarHBondContact O-N 3.01Å; L450-F476 HydrophobicContact CD1-CD1 4.32Å; L450-G477 PolarHBondContact N-O 3.36Å; L450-Y478 HydrophobicContact CB-CD1 4.17Å; L450-Y478 HydrophobicContact CD1-CD1 3.92Å; L450-Y478 HydrophobicContact CD1-CE1 3.6Å; L450-A479 WeakPolarHBondContact O-CB 3.39Å; L450-A479 PolarHBondContact O-N 3.35Å
451	D	96.9	Very high	93.5	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.08	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	68.9	178.2	-154.9	-6.4	0	0	0	110.9	Y400 Y401 A402 G403 A479 F499	Y400-D451 HydrophobicContact CE2-CB 3.99Å; Y400-D451 PolarHBondContact OH-OD2 3.45Å; Y401-D451 WeakPolarHBondContact O-CA 3.3Å; Y401-D451 PolarHBondContact O-N 3.22Å; A402-D451 WeakPolarHBondContact CA-O 3.3Å; A402-D451 HydrophobicContact CB-CB 4.21Å; G403-D451 PolarHBondContact N-O 2.76Å; D451-A479 HydrophobicContact CB-CB 4.25Å; D451-A479 WeakPolarHBondContact OD1-CB 3.41Å; D451-F499 HydrophobicContact CB-CD1 3.98Å
452	M	94.9	Very high	92.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.183	C	C	.	.	S	Bend	trans	-149.2	160.5	-174.1	66.9	-172.7	-167.2	0	0	111.3	Y401 G403 M414 L450	Y401-M452 HydrophobicContact CD1-CB 4.16Å; Y401-M452 HydrophobicContact CD1-CG 4.34Å; Y401-M452 HydrophobicContact CD1-SD 3.55Å; Y401-M452 VanDerWaalsContact CD1-SD 3.55Å; Y401-M452 HydrophobicContact CE1-CB 3.98Å; Y401-M452 HydrophobicContact CE1-CG 4.43Å; Y401-M452 HydrophobicContact CE1-SD 3.65Å; G403-M452 WeakPolarHBondContact O-CA 3.35Å; G403-M452 WeakPolarHBondContact O-CB 3.16Å; M414-M452 HydrophobicContact CG-SD 4.19Å; L450-M452 HydrophobicContact CB-CE 4.19Å; L450-M452 HydrophobicContact CB-CG 4.31Å; L450-M452 HydrophobicContact CB-SD 4.46Å; L450-M452 HydrophobicContact CD1-CE 3.84Å; L450-M452 HydrophobicContact CG-CE 4.45Å; L450-M452 PolarHBondContact O-N 3.01Å
453	C	91.7	Very high	92	Very high	28 Å²	28	36.1 Å²	36.1	19%	0.189	18%	0.182	C	C	.	.			trans	-61.5	151.5	169.6	-66.7	0	0	0	0	111.3	G405	G405-C453 CarbonylContact C-O 3.45Å; G405-C453 CarbonylContact O-C 3.59Å
454	R	93.1	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.			trans	-128.1	30.2	178.8	-66.4	176.5	67.7	-150.8	-5.5	112.1	E407 T480 D483 A484 E537	E407-R454 HydrophobicContact CB-CB 4.15Å; E407-R454 VanDerWaalsContact CD-NH2 3.27Å; E407-R454 IonicContact OE1-CZ 3.53Å; E407-R454 IonicContact OE1-NE 3.36Å; E407-R454 IonicContact OE1-NH2 3.73Å; E407-R454 PolarHBondContact OE1-NH2 2.89Å; E407-R454 IonicContact OE2-CZ 3.92Å; E407-R454 VanDerWaalsContact OE2-CZ 3.26Å; E407-R454 IonicContact OE2-NE 3.61Å; E407-R454 PolarHBondContact OE2-NE 2.69Å; E407-R454 IonicContact OE2-NH2 3.77Å; E407-R454 PolarHBondContact OE2-NH2 3.49Å; R454-T480 HydrophobicContact CB-CG2 4.28Å; R454-T480 WeakPolarHBondContact CD-O 3.19Å; R454-T480 HydrophobicContact CG-CG2 4.18Å; R454-T480 PolarHBondContact NH1-O 3.2Å; R454-D483 WeakPolarHBondContact O-CA 3.27Å; R454-D483 PolarHBondContact O-N 2.92Å; R454-A484 PolarHBondContact N-O 2.76Å; R454-E537 IonicContact CZ-OE2 3.96Å; R454-E537 IonicContact NH1-OE2 3.39Å; R454-E537 PolarHBondContact NH1-OE2 3Å; R454-E537 IonicContact NH2-OE2 3.27Å
455	K	90.3	Very high	90.3	Very high	90 Å²	90	43.3 Å²	43.3	39%	0.391	22%	0.219	S	C	.	.			trans	-69.6	150	171.5	-74.4	-178	166.2	174.5	0	110.2	Y406 E407 E485	Y406-K455 WeakPolarHBondContact CA-O 3.43Å; Y406-K455 VanDerWaalsContact CB-O 3.28Å; Y406-K455 WeakPolarHBondContact CB-O 3.48Å; E407-K455 PolarHBondContact N-O 3.29Å; K455-E485 HydrophobicContact CD-CG 3.98Å; K455-E485 WeakPolarHBondContact CE-OE1 3.34Å; K455-E485 IonicContact NZ-OE1 2.73Å; K455-E485 PolarHBondContact NZ-OE1 3.37Å; K455-E485 IonicContact NZ-OE2 3.32Å
456	R	91.3	Very high	89.5	Confident	117 Å²	117	45.1 Å²	45.1	44%	0.442	23%	0.228	S	C	.	.			trans	-66.3	130.6	170.2	-166.6	179.2	175.3	-174.3	-8.6	111	E407 N408 Y409 E461	E407-R456 WeakPolarHBondContact O-CA 3.49Å; N408-R456 WeakPolarHBondContact OD1-CA 3.17Å; N408-R456 VanDerWaalsContact OD1-CG 3.22Å; N408-R456 WeakPolarHBondContact OD1-CG 3.4Å; Y409-R456 PolarHBondContact OH-NH2 2.82Å; R456-E461 IonicContact NH2-OE2 3.67Å
457	N	93.1	Very high	88.7	Confident	14 Å²	14	50.3 Å²	50.3	8%	0.075	26%	0.26	C	S	.	.			trans	-83.6	112.1	167.4	-179.8	3.2	0	0	0	109.2	Y406 N408 Y423 H459 D460	Y406-N457 HydrophobicContact CD1-CB 4.32Å; Y406-N457 HydrophobicContact CD2-CB 3.36Å; Y406-N457 HydrophobicContact CE2-CB 3.69Å; Y406-N457 HydrophobicContact CG-CB 3.7Å; N408-N457 PolarHBondContact ND2-O 3.25Å; N408-N457 PolarHBondContact OD1-N 2.69Å; Y423-N457 PolarHBondContact O-ND2 2.86Å; N457-H459 PolarHBondContact O-N 2.96Å; N457-H459 WeakPolarHBondContact OD1-CB 3.24Å; N457-H459 PolarHBondContact OD1-N 3.24Å; N457-D460 HydrophobicContact CB-CB 4.3Å; N457-D460 PolarHBondContact O-N 2.89Å
458	I	90.4	Very high	88	Confident	123 Å²	123	53.3 Å²	53.3	63%	0.631	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.7	-179.1	61.8	171.3	0	0	0	113.7	D460	I458-D460 VanDerWaalsContact C-N 3.34Å
459	H	90.1	Very high	87.2	Confident	95 Å²	95	61.2 Å²	61.2	44%	0.44	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.9	179.3	-59.3	-66.5	0	0	0	111.9	P422 H424 N457	P422-H459 HydrophobicContact CB-CB 4.11Å; H424-H459 PolarHBondContact CE1-O 2.68Å; H424-H459 PolarHBondContact ND1-O 2.79Å; N457-H459 PolarHBondContact O-N 2.96Å; N457-H459 WeakPolarHBondContact OD1-CB 3.24Å; N457-H459 PolarHBondContact OD1-N 3.24Å
460	D	88.1	Confident	86.5	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.345	C	S	.	.			trans	-110	101.2	-176.8	-178.4	16.2	0	0	0	111.8	Y406 N408 S425 N457 I458 S462	Y406-D460 HydrophobicContact CE2-CB 4.31Å; Y406-D460 WeakPolarHBondContact CE2-OD2 3.11Å; Y406-D460 PolarHBondContact OH-OD2 3.26Å; N408-D460 PolarHBondContact ND2-O 2.95Å; S425-D460 VanDerWaalsContact CB-OD2 3.26Å; S425-D460 WeakPolarHBondContact CB-OD2 3.49Å; S425-D460 PolarHBondContact N-OD2 3.16Å; S425-D460 PolarHBondContact OG-OD1 3.32Å; N457-D460 HydrophobicContact CB-CB 4.3Å; N457-D460 PolarHBondContact O-N 2.89Å; I458-D460 VanDerWaalsContact C-N 3.34Å; D460-S462 VanDerWaalsContact C-N 3.29Å; D460-S462 WeakPolarHBondContact OD1-CB 3.45Å; D460-S462 PolarHBondContact OD1-N 3.24Å; D460-S462 PolarHBondContact OD1-OG 2.96Å; D460-S462 PolarHBondContact OD2-OG 2.92Å
461	E	80.6	Confident	85.6	Confident	130 Å²	130	69.9 Å²	69.9	61%	0.607	36%	0.358	S	S	*	.			trans	-89.4	8.2	176.4	-65.2	-64.1	157.6	0	0	112.9	R456	R456-E461 IonicContact NH2-OE2 3.67Å
462	S	79.9	Confident	85.2	Confident	36 Å²	36	70.6 Å²	70.6	25%	0.252	37%	0.366	S	S	.	.			trans	-73.1	135.3	-178.1	70.4	0	0	0	0	112.3	S425 D460 P464	S425-S462 WeakPolarHBondContact CB-OG 3.49Å; S425-S462 PolarHBondContact OG-OG 2.83Å; D460-S462 VanDerWaalsContact C-N 3.29Å; D460-S462 WeakPolarHBondContact OD1-CB 3.45Å; D460-S462 PolarHBondContact OD1-N 3.24Å; D460-S462 PolarHBondContact OD1-OG 2.96Å; D460-S462 PolarHBondContact OD2-OG 2.92Å; S462-P464 WeakPolarHBondContact O-CD 3.41Å
463	T	74.2	Confident	85.1	Confident	84 Å²	84	71.1 Å²	71.1	52%	0.515	37%	0.369	S	S	.	.			trans	-119.2	77.3	174.5	56.3	0	0	0	0	109.5	Y409 N465	Y409-T463 HydrophobicContact CD1-CG2 4.34Å; Y409-T463 HydrophobicContact CD2-CG2 3.54Å; Y409-T463 HydrophobicContact CE1-CG2 4.29Å; Y409-T463 HydrophobicContact CE2-CG2 3.49Å; Y409-T463 VanDerWaalsContact CE2-CG2 3.49Å; Y409-T463 HydrophobicContact CG-CG2 3.97Å; T463-N465 PolarHBondContact O-N 3Å
464	P	74.8	Confident	85.4	Confident	25 Å²	25	70.6 Å²	70.6	16%	0.162	36%	0.364	C	S	.	.			trans	-64	124.6	178.9	25.1	-30.7	0	0	0	109.8	N411 F413 S462 I466	N411-P464 HydrophobicContact CB-CG 4.45Å; N411-P464 PolarHBondContact ND2-O 2.57Å; F413-P464 HydrophobicContact CZ-CG 4.1Å; S462-P464 WeakPolarHBondContact O-CD 3.41Å; P464-I466 HydrophobicContact CB-CD1 4.31Å; P464-I466 HydrophobicContact CB-CG1 4.31Å; P464-I466 PolarHBondContact O-N 3.37Å
465	N	76	Confident	85.6	Confident	141 Å²	141	70.6 Å²	70.6	75%	0.754	36%	0.364	S	S	*	.			trans	-90.2	91.6	177.5	-172.6	9.1	0	0	0	109.6	T463	T463-N465 PolarHBondContact O-N 3Å
466	I	80.9	Confident	86	Confident	37 Å²	37	67.1 Å²	67.1	19%	0.19	35%	0.349	C	S	.	.			trans	-102.2	108.9	-178.7	-57.9	167.3	0	0	0	108.8	C430 Q432 S433 K436 P464 L468	C430-I466 WeakPolarHBondContact SG-CD1 3.41Å; Q432-I466 HydrophobicContact CB-CD1 3.76Å; Q432-I466 HydrophobicContact CB-CG2 4.35Å; S433-I466 WeakPolarHBondContact OG-CD1 3.39Å; K436-I466 HydrophobicContact CB-CG2 4.45Å; K436-I466 HydrophobicContact CD-CG2 4.39Å; P464-I466 HydrophobicContact CB-CD1 4.31Å; P464-I466 HydrophobicContact CB-CG1 4.31Å; P464-I466 PolarHBondContact O-N 3.37Å; I466-L468 HydrophobicContact CG2-CD2 4.03Å; I466-L468 HydrophobicContact CG2-CG 4.4Å
467	V	81.5	Confident	86.3	Confident	110 Å²	110	61.6 Å²	61.6	67%	0.667	33%	0.328	S	S	*	.			trans	-87.3	115.1	176	-176	0	0	0	0	109.3
468	L	84.6	Confident	86.5	Confident	64 Å²	64	61.1 Å²	61.1	34%	0.335	33%	0.325	S	S	.	.			trans	-96.1	147	177.7	-62.6	174.7	0	0	0	111.3	L435 K436 I466	L435-L468 HydrophobicContact CD2-CD1 3.66Å; L435-L468 HydrophobicContact CD2-CD2 4.23Å; L435-L468 HydrophobicContact CG-CD1 4.44Å; L435-L468 HydrophobicContact CG-CD2 4.11Å; K436-L468 HydrophobicContact CB-CD2 3.93Å; I466-L468 HydrophobicContact CG2-CD2 4.03Å; I466-L468 HydrophobicContact CG2-CG 4.4Å
469	R	82.1	Confident	86.6	Confident	167 Å²	167	55.2 Å²	55.2	63%	0.63	30%	0.295	S	S	*	.			trans	-79.8	151.4	173.5	-66.9	175.8	67.6	-164.9	0.4	110	Q439 T471	Q439-R469 PolarHBondContact NE2-O 3.23Å; R469-T471 HydrophobicContact CB-CG2 4.19Å; R469-T471 PolarHBondContact O-N 2.74Å
470	V	84.4	Confident	86.6	Confident	142 Å²	142	50.7 Å²	50.7	86%	0.861	27%	0.274	S	S	*	.			trans	-84.3	91.4	171.9	-174.8	0	0	0	0	108.6
471	T	79.1	Confident	86.4	Confident	43 Å²	43	53 Å²	53	26%	0.264	29%	0.29	S	S	.	.			trans	-96.9	-7.3	179.4	52.9	0	0	0	0	113.5	Q439 R469 N473	Q439-T471 HydrophobicContact CB-CG2 4.39Å; Q439-T471 HydrophobicContact CG-CG2 4.09Å; Q439-T471 PolarHBondContact NE2-OG1 2.76Å; Q439-T471 VanDerWaalsContact NE2-OG1 3.08Å; R469-T471 HydrophobicContact CB-CG2 4.19Å; R469-T471 PolarHBondContact O-N 2.74Å; T471-N473 WeakPolarHBondContact CB-OD1 3.34Å; T471-N473 PolarHBondContact O-N 3.38Å; T471-N473 VanDerWaalsContact O-N 3.15Å; T471-N473 PolarHBondContact OG1-OD1 2.84Å
472	A	87.5	Confident	86.4	Confident	30 Å²	30	50.9 Å²	50.9	25%	0.248	28%	0.28	C	S	.	.	S	Bend	trans	52.9	31.4	178.4	0	0	0	0	0	115.1	S541 L542 S543	A472-S541 CarbonylContact C-O 3.4Å; A472-S541 WeakPolarHBondContact CA-O 3.37Å; A472-L542 VanDerWaalsContact O-CA 3.29Å; A472-L542 WeakPolarHBondContact O-CA 3.29Å; A472-S543 PolarHBondContact O-N 2.88Å; A472-S543 PolarHBondContact O-OG 3.36Å
473	N	94	Very high	86.3	Confident	13 Å²	13	54 Å²	54	7%	0.07	29%	0.294	C	S	.	.			trans	-144.4	30.1	-174.6	69.4	-9.7	0	0	0	113.6	T443 G444 N446 T471 L542	T443-N473 PolarHBondContact O-ND2 2.93Å; G444-N473 WeakPolarHBondContact O-CB 3.43Å; G444-N473 PolarHBondContact O-ND2 3.34Å; N446-N473 PolarHBondContact N-O 2.92Å; N446-N473 PolarHBondContact ND2-OD1 3.28Å; T471-N473 WeakPolarHBondContact CB-OD1 3.34Å; T471-N473 PolarHBondContact O-N 3.38Å; T471-N473 VanDerWaalsContact O-N 3.15Å; T471-N473 PolarHBondContact OG1-OD1 2.84Å; N473-L542 HydrophobicContact CB-CD1 4.35Å
474	I	96.9	Very high	86.7	Confident	17 Å²	17	51 Å²	51	9%	0.087	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.6	-174.1	-49.2	166.9	0	0	0	108.9	L435 Q439 N446 F476 S540 S541	L435-I474 HydrophobicContact CD1-CD1 4.13Å; L435-I474 HydrophobicContact CD1-CG1 4.12Å; L435-I474 HydrophobicContact CD1-CG2 3.94Å; L435-I474 HydrophobicContact CD2-CD1 4.21Å; L435-I474 HydrophobicContact CD2-CG2 3.9Å; Q439-I474 VanDerWaalsContact NE2-CD1 3.35Å; N446-I474 CarbonylContact O-C 3.48Å; N446-I474 WeakPolarHBondContact O-CA 3.35Å; I474-F476 HydrophobicContact CG2-CD2 3.93Å; I474-F476 HydrophobicContact CG2-CE2 3.6Å; I474-S540 WeakPolarHBondContact O-CA 3.45Å; I474-S540 PolarHBondContact O-OG 3.04Å; I474-S541 PolarHBondContact O-N 3.08Å
475	V	98.2	Very high	87	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123.8	176.8	-174.2	0	0	0	0	109.4	L445 N446 V447 F448 I513 T514 L517 L542	L445-V475 HydrophobicContact CD1-CG2 4.41Å; N446-V475 PolarHBondContact O-N 2.85Å; V447-V475 CarbonylContact C-O 3.59Å; V447-V475 WeakPolarHBondContact CA-O 3.42Å; F448-V475 PolarHBondContact N-O 3.16Å; V475-I513 HydrophobicContact CB-CG2 4.5Å; V475-I513 HydrophobicContact CG1-CG1 4.48Å; V475-I513 HydrophobicContact CG1-CG2 4.45Å; V475-I513 HydrophobicContact CG2-CG2 3.87Å; V475-T514 HydrophobicContact CG1-CG2 4.29Å; V475-T514 HydrophobicContact CG2-CG2 4.15Å; V475-L517 HydrophobicContact CG1-CD1 3.66Å; V475-L542 HydrophobicContact CG2-CB 3.7Å; V475-L542 HydrophobicContact CG2-CD2 3.83Å; V475-L542 HydrophobicContact CG2-CG 4.36Å
476	F	98.1	Very high	87	Confident	18 Å²	18	47.7 Å²	47.7	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.3	167.9	-72.9	-97.6	0	0	0	109.6	V431 L435 F448 L450 I474 Y478 I538 R539	V431-F476 HydrophobicContact CG1-CE1 3.86Å; L435-F476 HydrophobicContact CD2-CE2 3.75Å; L435-F476 HydrophobicContact CD2-CZ 3.73Å; F448-F476 HydrophobicContact CB-CD1 3.5Å; F448-F476 VanDerWaalsContact CB-CD1 3.5Å; F448-F476 HydrophobicContact CB-CE1 3.64Å; F448-F476 HydrophobicContact CB-CG 4.17Å; F448-F476 HydrophobicContact CB-CZ 4.41Å; F448-F476 HydrophobicContact CD1-CE1 4.37Å; F448-F476 HydrophobicContact CD2-CE1 4.07Å; F448-F476 HydrophobicContact CD2-CE2 4.46Å; F448-F476 HydrophobicContact CD2-CZ 4.02Å; F448-F476 HydrophobicContact CG-CD1 4.15Å; F448-F476 AromaticContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CZ 4.2Å; F448-F476 CarbonylContact O-C 3.57Å; F448-F476 WeakPolarHBondContact O-CA 3.36Å; L450-F476 HydrophobicContact CD1-CD1 4.32Å; I474-F476 HydrophobicContact CG2-CD2 3.93Å; I474-F476 HydrophobicContact CG2-CE2 3.6Å; F476-Y478 HydrophobicContact CB-CD2 3.98Å; F476-Y478 HydrophobicContact CB-CE2 3.34Å; F476-Y478 HydrophobicContact CD1-CE1 4.15Å; F476-Y478 HydrophobicContact CD1-CE2 4.04Å; F476-Y478 AromaticContact CD1-CZ 3.54Å; F476-Y478 WeakPolarHBondContact CD1-OH 3.46Å; F476-Y478 AromaticContact CG-CE2 3.9Å; F476-Y478 HydrophobicContact CG-CE2 3.9Å; F476-Y478 AromaticContact CG-CZ 3.86Å; F476-Y478 WeakPolarHBondContact CG-OH 3.43Å; F476-I538 WeakPolarHBondContact O-CA 3.43Å; F476-R539 HydrophobicContact CB-CB 4.24Å; F476-R539 PolarHBondContact N-O 3.49Å; F476-R539 PolarHBondContact O-N 3.13Å
477	G	97.6	Very high	86.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.4	163.8	0	0	0	0	0	108.9	F448 L449 L450	F448-G477 PolarHBondContact O-N 3.01Å; L449-G477 WeakPolarHBondContact CA-O 3.05Å; L450-G477 PolarHBondContact N-O 3.36Å
478	Y	96.9	Very high	86.5	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127	175.7	-59.7	-88.4	0	0	0	109.1	L450 F476 T480 L536 E537 R539	L450-Y478 HydrophobicContact CB-CD1 4.17Å; L450-Y478 HydrophobicContact CD1-CD1 3.92Å; L450-Y478 HydrophobicContact CD1-CE1 3.6Å; F476-Y478 HydrophobicContact CB-CD2 3.98Å; F476-Y478 HydrophobicContact CB-CE2 3.34Å; F476-Y478 HydrophobicContact CD1-CE1 4.15Å; F476-Y478 HydrophobicContact CD1-CE2 4.04Å; F476-Y478 AromaticContact CD1-CZ 3.54Å; F476-Y478 WeakPolarHBondContact CD1-OH 3.46Å; F476-Y478 AromaticContact CG-CE2 3.9Å; F476-Y478 HydrophobicContact CG-CE2 3.9Å; F476-Y478 AromaticContact CG-CZ 3.86Å; F476-Y478 WeakPolarHBondContact CG-OH 3.43Å; Y478-T480 WeakPolarHBondContact CB-O 3.39Å; Y478-T480 PolarHBondContact O-N 2.96Å; Y478-T480 VanDerWaalsContact O-N 3.08Å; Y478-L536 WeakPolarHBondContact O-CA 3.5Å; Y478-L536 WeakPolarHBondContact O-CD1 3.42Å; Y478-E537 HydrophobicContact CD2-CB 4.45Å; Y478-E537 PolarHBondContact N-O 3.05Å; Y478-E537 PolarHBondContact O-N 3.13Å; Y478-R539 HydrophobicContact CE2-CB 4.33Å; Y478-R539 HydrophobicContact CE2-CG 4.09Å
479	A	92.5	Very high	85.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-59.7	-21.3	178.9	0	0	0	0	0	113.8	L450 D451 A486 F499 Q534	L450-A479 WeakPolarHBondContact O-CB 3.39Å; L450-A479 PolarHBondContact O-N 3.35Å; D451-A479 HydrophobicContact CB-CB 4.25Å; D451-A479 WeakPolarHBondContact OD1-CB 3.41Å; A479-A486 HydrophobicContact CB-CB 4.27Å; A479-F499 HydrophobicContact CB-CB 3.7Å; A479-F499 HydrophobicContact CB-CD1 3.93Å; A479-F499 HydrophobicContact CB-CG 3.84Å; A479-Q534 WeakPolarHBondContact O-CG 2.92Å; A479-Q534 PolarHBondContact O-NE2 3.45Å
480	T	90.1	Very high	84.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-141.8	160	178.6	-159	0	0	0	0	111.5	R454 Y478 A484 E485 A486 A535	R454-T480 HydrophobicContact CB-CG2 4.28Å; R454-T480 WeakPolarHBondContact CD-O 3.19Å; R454-T480 HydrophobicContact CG-CG2 4.18Å; R454-T480 PolarHBondContact NH1-O 3.2Å; Y478-T480 WeakPolarHBondContact CB-O 3.39Å; Y478-T480 PolarHBondContact O-N 2.96Å; Y478-T480 VanDerWaalsContact O-N 3.08Å; T480-A484 HydrophobicContact CG2-CB 4.35Å; T480-A484 WeakPolarHBondContact CG2-O 3.37Å; T480-A484 VanDerWaalsContact OG1-CB 3.26Å; T480-A484 WeakPolarHBondContact OG1-CB 3.28Å; T480-E485 VanDerWaalsContact CB-O 3.3Å; T480-E485 WeakPolarHBondContact CB-O 3.2Å; T480-E485 PolarHBondContact OG1-O 2.93Å; T480-A486 HydrophobicContact CG2-CB 4.3Å; T480-A535 CarbonylContact C-O 3.47Å; T480-A535 VanDerWaalsContact C-O 3.32Å; T480-A535 WeakPolarHBondContact CA-O 3.48Å
481	C	84.8	Confident	83.3	Confident	51 Å²	51	41.4 Å²	41.4	35%	0.345	24%	0.239	S	C	.	.			trans	-68.8	164.1	174.5	-65.6	0	0	0	0	111.8	A484 A535	C481-A484 HydrophobicContact CB-CB 4.45Å; C481-A484 WeakPolarHBondContact O-CB 3.37Å; C481-A484 PolarHBondContact O-N 3.05Å; C481-A535 PolarHBondContact N-O 3.31Å
482	Q	80.2	Confident	82.1	Confident	86 Å²	86	47.1 Å²	47.1	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	140.5	170.6	-170.4	174.6	-8.3	0	0	111.4	A484 E537	Q482-A484 PolarHBondContact O-N 2.95Å; Q482-E537 PolarHBondContact N-OE2 3.35Å
483	D	78.9	Confident	80.8	Confident	101 Å²	101	47.7 Å²	47.7	54%	0.54	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	17.7	-176.8	-62.9	-52	0	0	0	115.5	R454	R454-D483 WeakPolarHBondContact O-CA 3.27Å; R454-D483 PolarHBondContact O-N 2.92Å
484	A	81.3	Confident	79.6	Confident	23 Å²	23	52.4 Å²	52.4	19%	0.19	30%	0.303	C	S	.	.			trans	-116.2	168.5	177.1	0	0	0	0	0	113.3	R454 T480 C481 Q482	R454-A484 PolarHBondContact N-O 2.76Å; T480-A484 HydrophobicContact CG2-CB 4.35Å; T480-A484 WeakPolarHBondContact CG2-O 3.37Å; T480-A484 VanDerWaalsContact OG1-CB 3.26Å; T480-A484 WeakPolarHBondContact OG1-CB 3.28Å; C481-A484 HydrophobicContact CB-CB 4.45Å; C481-A484 WeakPolarHBondContact O-CB 3.37Å; C481-A484 PolarHBondContact O-N 3.05Å; Q482-A484 PolarHBondContact O-N 2.95Å
485	E	81.8	Confident	78.9	Confident	74 Å²	74	54.2 Å²	54.2	35%	0.346	32%	0.315	S	S	.	.			trans	-98.2	150.1	177	-60.7	-177	143.3	0	0	110.8	K455 T480 F487	K455-E485 HydrophobicContact CD-CG 3.98Å; K455-E485 WeakPolarHBondContact CE-OE1 3.34Å; K455-E485 IonicContact NZ-OE1 2.73Å; K455-E485 PolarHBondContact NZ-OE1 3.37Å; K455-E485 IonicContact NZ-OE2 3.32Å; T480-E485 VanDerWaalsContact CB-O 3.3Å; T480-E485 WeakPolarHBondContact CB-O 3.2Å; T480-E485 PolarHBondContact OG1-O 2.93Å; E485-F487 HydrophobicContact CB-CD2 4.5Å; E485-F487 HydrophobicContact CB-CE1 4.26Å; E485-F487 HydrophobicContact CB-CE2 3.82Å; E485-F487 HydrophobicContact CB-CZ 3.69Å; E485-F487 HydrophobicContact CG-CZ 4.48Å; E485-F487 WeakPolarHBondContact OE2-CZ 3.23Å
486	A	75.8	Confident	78.4	Confident	21 Å²	21	55 Å²	55	17%	0.174	32%	0.319	C	S	.	.			trans	-100.7	134.8	164.6	0	0	0	0	0	107.8	A479 T480	A479-A486 HydrophobicContact CB-CB 4.27Å; T480-A486 HydrophobicContact CG2-CB 4.3Å
487	F	75.1	Confident	77.9	Confident	73 Å²	73	54.2 Å²	54.2	32%	0.32	32%	0.316	S	S	.	.			trans	-111.8	142.2	-172.9	-64.7	-85.6	0	0	0	112.3	E485 V498 K533 Q534	E485-F487 HydrophobicContact CB-CD2 4.5Å; E485-F487 HydrophobicContact CB-CE1 4.26Å; E485-F487 HydrophobicContact CB-CE2 3.82Å; E485-F487 HydrophobicContact CB-CZ 3.69Å; E485-F487 HydrophobicContact CG-CZ 4.48Å; E485-F487 WeakPolarHBondContact OE2-CZ 3.23Å; F487-V498 WeakPolarHBondContact O-CG2 3.47Å; F487-K533 HydrophobicContact CD2-CB 4.4Å; F487-K533 HydrophobicContact CE2-CB 3.79Å; F487-K533 HydrophobicContact CZ-CB 4.42Å; F487-Q534 HydrophobicContact CD2-CB 4.09Å
488	E	76.3	Confident	77.6	Confident	74 Å²	74	54.3 Å²	54.3	35%	0.346	32%	0.317	S	S	.	.			trans	-93.9	143.6	158.9	56.9	179.3	-161.1	0	0	110.1	K349 A350 S490	K349-E488 PolarHBondContact N-OE2 2.88Å; A350-E488 HydrophobicContact CB-CB 3.78Å; A350-E488 PolarHBondContact N-OE2 2.93Å; E488-S490 PolarHBondContact O-N 2.98Å
489	L	69.9	Low	77.4	Confident	52 Å²	52	54.1 Å²	54.1	27%	0.272	32%	0.316	S	S	.	.			trans	-72	125.4	175.8	-72.9	164	0	0	0	108.5	S491 V498 K501 F527	L489-S491 PolarHBondContact O-N 3.38Å; L489-V498 HydrophobicContact CG-CG2 4.31Å; L489-K501 HydrophobicContact CD1-CD 4.32Å; L489-F527 HydrophobicContact CD1-CZ 4.41Å; L489-F527 HydrophobicContact CD2-CE1 4.28Å; L489-F527 HydrophobicContact CD2-CZ 4.29Å
490	S	58.7	Low	77.5	Confident	131 Å²	131	54.1 Å²	54.1	92%	0.916	32%	0.316	S	S	*	.			trans	-75	53.7	177.5	66.7	0	0	0	0	112	E488	E488-S490 PolarHBondContact O-N 2.98Å
491	S	56.9	Low	77.6	Confident	58 Å²	58	56.9 Å²	56.9	41%	0.406	33%	0.328	S	S	.	.			trans	-90.8	147.7	172.6	15.4	0	0	0	0	110.8	L489 G493 T495	L489-S491 PolarHBondContact O-N 3.38Å; S491-G493 PolarHBondContact O-N 3.47Å; S491-T495 PolarHBondContact OG-OG1 3.26Å
492	T	53.9	Low	78.1	Confident	164 Å²	164	55.2 Å²	55.2	100%	1.006	32%	0.315	S	S	*	.	S	Bend	trans	-71	23.4	178.1	52.7	0	0	0	0	113.8
493	G	59.2	Low	78.8	Confident	42 Å²	42	51.1 Å²	51.1	43%	0.433	30%	0.296	S	S	.	.	S	Bend	trans	-148	172.8	-175.1	0	0	0	0	0	113.2	S491 T495	S491-G493 PolarHBondContact O-N 3.47Å; G493-T495 VanDerWaalsContact C-N 3.3Å; G493-T495 PolarHBondContact O-N 2.99Å
494	F	68.1	Low	79.6	Confident	112 Å²	112	49.7 Å²	49.7	49%	0.491	29%	0.285	S	S	.	.			trans	-74.9	78.8	178.2	-61.4	-76	0	0	0	110.6	V353 Y645	V353-F494 HydrophobicContact CG2-CB 3.76Å; V353-F494 HydrophobicContact CG2-CD1 4.2Å; V353-F494 HydrophobicContact CG2-CG 4.47Å; F494-Y645 HydrophobicContact CD1-CD2 4.3Å; F494-Y645 HydrophobicContact CD1-CG 4.5Å; F494-Y645 HydrophobicContact CD2-CD1 4.28Å; F494-Y645 AromaticContact CD2-CG 3.99Å; F494-Y645 HydrophobicContact CD2-CG 3.99Å; F494-Y645 AromaticContact CE1-CD2 3.42Å; F494-Y645 HydrophobicContact CE1-CD2 3.42Å; F494-Y645 VanDerWaalsContact CE1-CD2 3.42Å; F494-Y645 AromaticContact CE1-CE2 3.77Å; F494-Y645 HydrophobicContact CE1-CE2 3.77Å; F494-Y645 AromaticContact CE1-CG 3.89Å; F494-Y645 HydrophobicContact CE1-CG 3.89Å; F494-Y645 AromaticContact CE2-CD1 3.38Å; F494-Y645 HydrophobicContact CE2-CD1 3.38Å; F494-Y645 AromaticContact CE2-CD2 3.69Å; F494-Y645 HydrophobicContact CE2-CD2 3.69Å; F494-Y645 AromaticContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE2 4.05Å; F494-Y645 AromaticContact CE2-CG 3.31Å; F494-Y645 HydrophobicContact CE2-CG 3.31Å; F494-Y645 AromaticContact CZ-CD1 3.63Å; F494-Y645 HydrophobicContact CZ-CD1 3.63Å; F494-Y645 AromaticContact CZ-CD2 3.08Å; F494-Y645 HydrophobicContact CZ-CD2 3.08Å; F494-Y645 AromaticContact CZ-CE1 3.77Å; F494-Y645 HydrophobicContact CZ-CE1 3.77Å; F494-Y645 AromaticContact CZ-CE2 3.22Å; F494-Y645 HydrophobicContact CZ-CE2 3.22Å; F494-Y645 AromaticContact CZ-CG 3.28Å; F494-Y645 HydrophobicContact CZ-CG 3.28Å; F494-Y645 AromaticContact CZ-CZ 3.56Å
495	T	82.8	Confident	80.2	Confident	54 Å²	54	54.6 Å²	54.6	33%	0.331	30%	0.302	S	S	.	.			trans	-105.3	143.4	176.1	54.2	0	0	0	0	110.5	S491 G493	S491-T495 PolarHBondContact OG-OG1 3.26Å; G493-T495 VanDerWaalsContact C-N 3.3Å; G493-T495 PolarHBondContact O-N 2.99Å
496	N	87.9	Confident	80.9	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.091	30%	0.299	C	S	.	.			trans	-57.4	152	172.9	-62	102.8	0	0	0	112.7	D354 D357 V500 K501 K504	D354-N496 WeakPolarHBondContact OD1-CA 3.33Å; D354-N496 WeakPolarHBondContact OD1-CB 3.47Å; D354-N496 PolarHBondContact OD1-ND2 3.12Å; D357-N496 PolarHBondContact OD2-ND2 2.9Å; D357-N496 PolarHBondContact OD2-OD1 3.24Å; N496-V500 HydrophobicContact CB-CB 4.42Å; N496-K501 HydrophobicContact CB-CB 4.17Å; N496-K504 WeakPolarHBondContact OD1-CE 3.15Å; N496-K504 PolarHBondContact OD1-NZ 2.78Å
497	G	87.8	Confident	81.9	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.021	29%	0.291	C	S	.	.			trans	-57	158.9	162	0	0	0	0	0	110.9	D354 F499 V500 K501	D354-G497 PolarHBondContact OD1-N 2.72Å; D354-G497 WeakPolarHBondContact OD2-CA 3.37Å; D354-G497 PolarHBondContact OD2-N 3.31Å; G497-F499 PolarHBondContact O-N 2.8Å; G497-V500 PolarHBondContact O-N 3.43Å; G497-K501 VanDerWaalsContact O-CB 3.28Å; G497-K501 WeakPolarHBondContact O-CB 3.45Å; G497-K501 PolarHBondContact O-N 2.88Å
498	V	90.1	Very high	82.8	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-40.8	-174.1	177.3	0	0	0	0	110.8	F487 L489 K501 F502 M524 F527 T530	F487-V498 WeakPolarHBondContact O-CG2 3.47Å; L489-V498 HydrophobicContact CG-CG2 4.31Å; V498-K501 WeakPolarHBondContact O-CB 3.24Å; V498-F502 HydrophobicContact CG1-CD2 4.38Å; V498-F502 HydrophobicContact CG1-CE2 4.08Å; V498-F502 WeakPolarHBondContact O-CD2 3.4Å; V498-M524 HydrophobicContact CG1-CE 4.2Å; V498-F527 HydrophobicContact CG1-CD1 4.24Å; V498-T530 HydrophobicContact CB-CG2 4.22Å; V498-T530 HydrophobicContact CG1-CG2 3.74Å; V498-T530 HydrophobicContact CG2-CG2 3.57Å
499	F	93.2	Very high	83.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-53.4	-178.6	175.8	-136.2	0	0	0	112	Y400 L449 D451 A479 G497 K501 F502 L503 V520 M524 L536	Y400-F499 HydrophobicContact CE2-CE1 4.42Å; L449-F499 HydrophobicContact CB-CE1 4.26Å; L449-F499 HydrophobicContact CD2-CZ 4.33Å; D451-F499 HydrophobicContact CB-CD1 3.98Å; A479-F499 HydrophobicContact CB-CB 3.7Å; A479-F499 HydrophobicContact CB-CD1 3.93Å; A479-F499 HydrophobicContact CB-CG 3.84Å; G497-F499 PolarHBondContact O-N 2.8Å; F499-K501 VanDerWaalsContact C-N 3.31Å; F499-K501 PolarHBondContact O-N 3.29Å; F499-F502 PolarHBondContact O-N 3Å; F499-L503 HydrophobicContact CD2-CB 4.47Å; F499-L503 HydrophobicContact CE1-CD2 4.01Å; F499-L503 HydrophobicContact CE2-CB 4.26Å; F499-L503 HydrophobicContact CE2-CD2 4.23Å; F499-L503 HydrophobicContact CZ-CD2 3.78Å; F499-L503 WeakPolarHBondContact O-CB 3.44Å; F499-L503 PolarHBondContact O-N 3.21Å; F499-V520 HydrophobicContact CD2-CG1 4.35Å; F499-V520 HydrophobicContact CE2-CG1 4.21Å; F499-M524 HydrophobicContact CD2-SD 4.06Å; F499-L536 HydrophobicContact CD2-CD1 3.42Å; F499-L536 VanDerWaalsContact CD2-CD1 3.42Å; F499-L536 HydrophobicContact CE2-CD1 3.18Å; F499-L536 HydrophobicContact CE2-CD2 4.4Å; F499-L536 HydrophobicContact CE2-CG 4.44Å; F499-L536 HydrophobicContact CG-CD1 4.41Å; F499-L536 HydrophobicContact CZ-CD1 4Å
500	V	94.5	Very high	84.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-31.9	-178.4	179.6	0	0	0	0	112.7	D354 L358 Y400 N496 G497 F502 L503 K504	D354-V500 HydrophobicContact CB-CB 4.08Å; D354-V500 HydrophobicContact CB-CG1 4.26Å; D354-V500 HydrophobicContact CB-CG2 3.75Å; D354-V500 WeakPolarHBondContact OD1-CB 3.34Å; L358-V500 HydrophobicContact CD1-CG1 4.41Å; L358-V500 HydrophobicContact CD1-CG2 3.85Å; L358-V500 HydrophobicContact CD2-CG1 4.22Å; L358-V500 HydrophobicContact CG-CG1 3.97Å; L358-V500 HydrophobicContact CG-CG2 4.33Å; Y400-V500 HydrophobicContact CE2-CG2 4.11Å; Y400-V500 WeakPolarHBondContact OH-CG2 3.31Å; N496-V500 HydrophobicContact CB-CB 4.42Å; G497-V500 PolarHBondContact O-N 3.43Å; V500-F502 PolarHBondContact O-N 3.02Å; V500-F502 VanDerWaalsContact O-N 3.11Å; V500-L503 PolarHBondContact O-N 3.18Å; V500-K504 HydrophobicContact CG1-CB 4.38Å; V500-K504 VanDerWaalsContact O-CB 3.27Å; V500-K504 WeakPolarHBondContact O-CB 3.28Å; V500-K504 VanDerWaalsContact O-CG 3.25Å; V500-K504 WeakPolarHBondContact O-CG 3.4Å; V500-K504 PolarHBondContact O-N 2.89Å
501	K	92.4	Very high	86.5	Confident	59 Å²	59	50 Å²	50	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-50.4	-36.9	173.2	176	179.8	179.5	175.1	0	113.2	L489 N496 G497 V498 F499 K505 F527	L489-K501 HydrophobicContact CD1-CD 4.32Å; N496-K501 HydrophobicContact CB-CB 4.17Å; G497-K501 VanDerWaalsContact O-CB 3.28Å; G497-K501 WeakPolarHBondContact O-CB 3.45Å; G497-K501 PolarHBondContact O-N 2.88Å; V498-K501 WeakPolarHBondContact O-CB 3.24Å; F499-K501 VanDerWaalsContact C-N 3.31Å; F499-K501 PolarHBondContact O-N 3.29Å; K501-K505 WeakPolarHBondContact O-CE 3.48Å; K501-F527 VanDerWaalsContact NZ-CZ 3.28Å
502	F	94.9	Very high	88.2	Confident	15 Å²	15	49 Å²	49	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-97.3	-41.1	178.7	-63.1	-73.4	0	0	0	112.1	V498 F499 V500 K504 K505 V520 D523 M524 F527	V498-F502 HydrophobicContact CG1-CD2 4.38Å; V498-F502 HydrophobicContact CG1-CE2 4.08Å; V498-F502 WeakPolarHBondContact O-CD2 3.4Å; F499-F502 PolarHBondContact O-N 3Å; V500-F502 PolarHBondContact O-N 3.02Å; V500-F502 VanDerWaalsContact O-N 3.11Å; F502-K504 VanDerWaalsContact C-N 3.27Å; F502-K504 PolarHBondContact O-N 3.09Å; F502-K505 WeakPolarHBondContact O-CB 3.46Å; F502-K505 PolarHBondContact O-N 3.23Å; F502-K505 VanDerWaalsContact O-N 3.09Å; F502-V520 HydrophobicContact CB-CG1 4.04Å; F502-D523 HydrophobicContact CB-CB 4.35Å; F502-D523 HydrophobicContact CD1-CB 3.76Å; F502-D523 HydrophobicContact CE1-CB 4.44Å; F502-D523 HydrophobicContact CG-CB 4.26Å; F502-M524 HydrophobicContact CB-CG 4.04Å; F502-M524 HydrophobicContact CD2-CB 4.33Å; F502-M524 HydrophobicContact CD2-CG 3.36Å; F502-M524 HydrophobicContact CE2-CG 4.05Å; F502-M524 HydrophobicContact CG-CG 3.9Å; F502-F527 HydrophobicContact CE2-CB 3.99Å; F502-F527 AromaticContact CE2-CD1 3.95Å; F502-F527 HydrophobicContact CE2-CD1 3.95Å; F502-F527 AromaticContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CZ-CB 3.62Å; F502-F527 HydrophobicContact CZ-CD1 4.05Å; F502-F527 AromaticContact CZ-CD2 3.96Å; F502-F527 HydrophobicContact CZ-CD2 3.96Å; F502-F527 AromaticContact CZ-CG 3.61Å; F502-F527 HydrophobicContact CZ-CG 3.61Å
503	L	96.1	Very high	90.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.6	-44.5	178.5	-178.9	63.3	0	0	0	111.9	L358 L449 F499 V500 K505 R506 L507 L517 V520	L358-L503 HydrophobicContact CD1-CD2 4.38Å; L358-L503 HydrophobicContact CD2-CD2 3.88Å; L358-L503 HydrophobicContact CD2-CG 4.34Å; L449-L503 HydrophobicContact CD1-CD2 3.9Å; F499-L503 HydrophobicContact CD2-CB 4.47Å; F499-L503 HydrophobicContact CE1-CD2 4.01Å; F499-L503 HydrophobicContact CE2-CB 4.26Å; F499-L503 HydrophobicContact CE2-CD2 4.23Å; F499-L503 HydrophobicContact CZ-CD2 3.78Å; F499-L503 WeakPolarHBondContact O-CB 3.44Å; F499-L503 PolarHBondContact O-N 3.21Å; V500-L503 PolarHBondContact O-N 3.18Å; L503-K505 PolarHBondContact O-N 3.01Å; L503-R506 PolarHBondContact O-N 3.35Å; L503-L507 HydrophobicContact CD1-CD1 3.85Å; L503-L507 HydrophobicContact CD2-CD1 4.47Å; L503-L507 HydrophobicContact CG-CD1 4.11Å; L503-L507 WeakPolarHBondContact O-CB 3.38Å; L503-L507 PolarHBondContact O-N 3.27Å; L503-L517 HydrophobicContact CD1-CD2 4.03Å; L503-V520 HydrophobicContact CB-CG1 4.4Å; L503-V520 HydrophobicContact CD1-CG2 4.08Å
504	K	94.4	Very high	92	Very high	72 Å²	72	40.6 Å²	40.6	31%	0.313	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-20.4	-177.2	80.4	-175.2	-157.5	168.1	0	114.3	D357 L361 N496 V500 F502	D357-K504 IonicContact OD2-NZ 3.27Å; D357-K504 PolarHBondContact OD2-NZ 3.16Å; L361-K504 HydrophobicContact CD1-CB 3.63Å; N496-K504 WeakPolarHBondContact OD1-CE 3.15Å; N496-K504 PolarHBondContact OD1-NZ 2.78Å; V500-K504 HydrophobicContact CG1-CB 4.38Å; V500-K504 VanDerWaalsContact O-CB 3.27Å; V500-K504 WeakPolarHBondContact O-CB 3.28Å; V500-K504 VanDerWaalsContact O-CG 3.25Å; V500-K504 WeakPolarHBondContact O-CG 3.4Å; V500-K504 PolarHBondContact O-N 2.89Å; F502-K504 VanDerWaalsContact C-N 3.27Å; F502-K504 PolarHBondContact O-N 3.09Å
505	K	95.3	Very high	93.3	Very high	126 Å²	126	37.8 Å²	37.8	55%	0.548	19%	0.185	S	C	.	.	H	α-helix	trans	-81.5	-21.7	177.7	-59.5	179.1	-178.8	177.5	0	113.5	K501 F502 L503	K501-K505 WeakPolarHBondContact O-CE 3.48Å; F502-K505 WeakPolarHBondContact O-CB 3.46Å; F502-K505 PolarHBondContact O-N 3.23Å; F502-K505 VanDerWaalsContact O-N 3.09Å; L503-K505 PolarHBondContact O-N 3.01Å
506	R	96.3	Very high	94	Very high	73 Å²	73	35.4 Å²	35.4	28%	0.275	17%	0.17	S	C	.	.	H	α-helix	trans	-117.9	-14.5	-172	-55.7	-64.5	-169.7	168.4	4.7	113	L503 L508 D509 V516 V520 D523	L503-R506 PolarHBondContact O-N 3.35Å; R506-L508 PolarHBondContact O-N 2.98Å; R506-L508 VanDerWaalsContact O-N 3.12Å; R506-D509 VanDerWaalsContact O-CB 3.26Å; R506-D509 WeakPolarHBondContact O-CB 3.43Å; R506-D509 PolarHBondContact O-N 3.37Å; R506-V516 HydrophobicContact CB-CG1 3.97Å; R506-V516 WeakPolarHBondContact O-CG1 3.5Å; R506-V520 HydrophobicContact CB-CG2 3.82Å; R506-V520 HydrophobicContact CG-CG2 3.86Å; R506-D523 IonicContact CZ-OD1 2.76Å; R506-D523 IonicContact CZ-OD2 2.61Å; R506-D523 IonicContact NE-OD2 2.83Å; R506-D523 PolarHBondContact NE-OD2 3.25Å; R506-D523 IonicContact NH2-OD1 2.89Å; R506-D523 PolarHBondContact NH2-OD1 3.27Å; R506-D523 IonicContact NH2-OD2 3.31Å; R506-D523 PolarHBondContact NH2-OD2 3.14Å; R506-D523 VanDerWaalsContact NH2-OD2 3.1Å
507	L	95.6	Very high	94.5	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.8	-173	-163.5	70.7	0	0	0	113.5	L358 L361 L362 L365 L503 L548	L358-L507 HydrophobicContact CD2-CD2 3.79Å; L361-L507 HydrophobicContact CB-CD2 3.84Å; L361-L507 HydrophobicContact CD1-CB 4.43Å; L361-L507 HydrophobicContact CD1-CD2 4.16Å; L362-L507 HydrophobicContact CD2-CD2 4.22Å; L362-L507 HydrophobicContact CG-CD2 4.3Å; L365-L507 HydrophobicContact CD1-CG 4.38Å; L503-L507 HydrophobicContact CD1-CD1 3.85Å; L503-L507 HydrophobicContact CD2-CD1 4.47Å; L503-L507 HydrophobicContact CG-CD1 4.11Å; L503-L507 WeakPolarHBondContact O-CB 3.38Å; L503-L507 PolarHBondContact O-N 3.27Å; L507-L548 HydrophobicContact CD1-CD1 3.59Å; L507-L548 HydrophobicContact CG-CD1 4.22Å
508	L	95.6	Very high	94.9	Very high	72 Å²	72	38.7 Å²	38.7	38%	0.377	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.9	178.8	-57.3	-178.7	0	0	0	113.7	L361 Q364 L365 R506 D510	L361-L508 HydrophobicContact CB-CD2 4.4Å; L361-L508 HydrophobicContact CD2-CD1 3.78Å; L361-L508 HydrophobicContact CD2-CD2 4.14Å; L361-L508 HydrophobicContact CD2-CG 3.96Å; Q364-L508 HydrophobicContact CB-CD2 4.4Å; L365-L508 HydrophobicContact CD1-CD2 3.98Å; L365-L508 HydrophobicContact CD2-CD2 3.75Å; L365-L508 HydrophobicContact CG-CD2 3.63Å; R506-L508 PolarHBondContact O-N 2.98Å; R506-L508 VanDerWaalsContact O-N 3.12Å; L508-D510 PolarHBondContact O-N 3.43Å
509	D	94.9	Very high	95.1	Very high	44 Å²	44	42.3 Å²	42.3	24%	0.235	20%	0.201	C	C	.	.	S	Bend	trans	-63.7	131.7	178	-70.9	2.9	0	0	0	109.7	R506 E511 V516 R519	R506-D509 VanDerWaalsContact O-CB 3.26Å; R506-D509 WeakPolarHBondContact O-CB 3.43Å; R506-D509 PolarHBondContact O-N 3.37Å; D509-E511 HydrophobicContact CB-CG 4.28Å; D509-E511 PolarHBondContact O-N 2.79Å; D509-V516 HydrophobicContact CB-CG2 4.27Å; D509-R519 IonicContact OD2-NH1 3.22Å; D509-R519 PolarHBondContact OD2-NH1 3.27Å
510	D	92.8	Very high	95.3	Very high	81 Å²	81	42.3 Å²	42.3	43%	0.433	20%	0.201	S	C	.	.	S	Bend	trans	-77.5	61.1	177.7	-173.9	35.5	0	0	0	112.6	L508 R545 T549	L508-D510 PolarHBondContact O-N 3.43Å; D510-R545 PolarHBondContact O-NH2 3.48Å; D510-T549 HydrophobicContact CB-CG2 4.3Å; D510-T549 WeakPolarHBondContact OD1-CB 3.49Å; D510-T549 PolarHBondContact OD1-OG1 3.02Å
511	E	93.4	Very high	95.3	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.257	21%	0.211	S	C	.	.	S	Bend	trans	-130.6	157.8	-174.8	-65.6	-76.8	-155.2	0	0	110.8	D509 I513 V515 V516 R519 R545 A547	D509-E511 HydrophobicContact CB-CG 4.28Å; D509-E511 PolarHBondContact O-N 2.79Å; E511-I513 PolarHBondContact O-N 3.45Å; E511-V515 HydrophobicContact CB-CB 4.46Å; E511-V515 HydrophobicContact CB-CG1 4.47Å; E511-V516 HydrophobicContact CB-CG2 3.86Å; E511-R519 IonicContact OE1-CZ 3.67Å; E511-R519 IonicContact OE1-NH1 3.93Å; E511-R519 IonicContact OE1-NH2 3.98Å; E511-R519 PolarHBondContact OE1-NH2 2.92Å; E511-R545 IonicContact OE2-NH2 2.88Å; E511-R545 PolarHBondContact OE2-NH2 2.92Å; E511-A547 WeakPolarHBondContact O-CB 3.36Å
512	K	94.1	Very high	95.3	Very high	38 Å²	38	46.1 Å²	46.1	17%	0.165	22%	0.224	C	C	.	.			trans	-53	132.3	171.9	-176.3	179.6	177.1	163.7	0	108.7	T514 V515 V516 L542 S543 E544 R545 R546	K512-T514 VanDerWaalsContact CD-OG1 3.31Å; K512-T514 WeakPolarHBondContact CD-OG1 3.12Å; K512-T514 VanDerWaalsContact CE-OG1 3.31Å; K512-T514 WeakPolarHBondContact CE-OG1 3.34Å; K512-T514 WeakPolarHBondContact CG-OG1 3.22Å; K512-T514 PolarHBondContact O-N 3.39Å; K512-V515 HydrophobicContact CB-CG2 4.15Å; K512-V515 WeakPolarHBondContact O-CA 3.27Å; K512-V515 WeakPolarHBondContact O-CB 3.41Å; K512-V515 PolarHBondContact O-N 2.9Å; K512-V516 PolarHBondContact O-N 3.14Å; K512-V516 VanDerWaalsContact O-N 3.12Å; K512-L542 HydrophobicContact CG-CD2 4.14Å; K512-L542 PolarHBondContact NZ-O 2.91Å; K512-S543 PolarHBondContact NZ-O 3.01Å; K512-S543 VanDerWaalsContact NZ-O 3.17Å; K512-E544 WeakPolarHBondContact CE-O 3.37Å; K512-E544 PolarHBondContact NZ-O 2.81Å; K512-E544 VanDerWaalsContact NZ-O 3.16Å; K512-R545 HydrophobicContact CB-CG 4.04Å; K512-R546 WeakPolarHBondContact CA-O 3.23Å
513	I	97.1	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-31.6	-174.7	-179.8	55.9	0	0	0	113.2	V447 V475 E511 V515 V516 L517 L542 R546 L548	V447-I513 HydrophobicContact CG1-CG1 4.46Å; V475-I513 HydrophobicContact CB-CG2 4.5Å; V475-I513 HydrophobicContact CG1-CG1 4.48Å; V475-I513 HydrophobicContact CG1-CG2 4.45Å; V475-I513 HydrophobicContact CG2-CG2 3.87Å; E511-I513 PolarHBondContact O-N 3.45Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 3.02Å; I513-V516 HydrophobicContact CD1-CB 4.34Å; I513-V516 PolarHBondContact O-N 2.94Å; I513-L517 HydrophobicContact CD1-CD1 4.48Å; I513-L517 HydrophobicContact CD1-CG 4.17Å; I513-L517 HydrophobicContact CG1-CD1 4.34Å; I513-L517 HydrophobicContact CG1-CG 4.49Å; I513-L517 WeakPolarHBondContact O-CG 3.25Å; I513-L517 PolarHBondContact O-N 3.33Å; I513-L542 HydrophobicContact CG2-CD2 3.63Å; I513-R546 PolarHBondContact N-O 2.97Å; I513-R546 VanDerWaalsContact N-O 3.16Å; I513-L548 HydrophobicContact CD1-CD1 3.76Å; I513-L548 HydrophobicContact CD1-CD2 4.44Å; I513-L548 HydrophobicContact CD1-CG 3.95Å; I513-L548 HydrophobicContact CG1-CD2 4.48Å; I513-L548 HydrophobicContact CG1-CG 4.42Å
514	T	95.4	Very high	95	Very high	27 Å²	27	46.9 Å²	46.9	17%	0.166	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-36.5	174.6	55.1	0	0	0	0	112.9	V475 K512 D518 S540 L542	V475-T514 HydrophobicContact CG1-CG2 4.29Å; V475-T514 HydrophobicContact CG2-CG2 4.15Å; K512-T514 VanDerWaalsContact CD-OG1 3.31Å; K512-T514 WeakPolarHBondContact CD-OG1 3.12Å; K512-T514 VanDerWaalsContact CE-OG1 3.31Å; K512-T514 WeakPolarHBondContact CE-OG1 3.34Å; K512-T514 WeakPolarHBondContact CG-OG1 3.22Å; K512-T514 PolarHBondContact O-N 3.39Å; T514-D518 WeakPolarHBondContact O-CB 3.32Å; T514-D518 PolarHBondContact O-N 2.91Å; T514-S540 WeakPolarHBondContact CG2-OG 3.29Å; T514-L542 HydrophobicContact CG2-CB 4.46Å; T514-L542 HydrophobicContact CG2-CD2 4.39Å
515	V	95.3	Very high	94.7	Very high	53 Å²	53	46.1 Å²	46.1	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-71.6	-39.5	176.5	178.4	0	0	0	0	110.4	E511 K512 I513 D518 R519	E511-V515 HydrophobicContact CB-CB 4.46Å; E511-V515 HydrophobicContact CB-CG1 4.47Å; K512-V515 HydrophobicContact CB-CG2 4.15Å; K512-V515 WeakPolarHBondContact O-CA 3.27Å; K512-V515 WeakPolarHBondContact O-CB 3.41Å; K512-V515 PolarHBondContact O-N 2.9Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 3.02Å; V515-D518 PolarHBondContact O-N 2.99Å; V515-R519 WeakPolarHBondContact O-CG 3.15Å; V515-R519 PolarHBondContact O-N 3.35Å
516	V	97.3	Very high	94.5	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-50.6	173	174.9	0	0	0	0	110.3	R506 D509 E511 K512 I513 D518 R519 V520	R506-V516 HydrophobicContact CB-CG1 3.97Å; R506-V516 WeakPolarHBondContact O-CG1 3.5Å; D509-V516 HydrophobicContact CB-CG2 4.27Å; E511-V516 HydrophobicContact CB-CG2 3.86Å; K512-V516 PolarHBondContact O-N 3.14Å; K512-V516 VanDerWaalsContact O-N 3.12Å; I513-V516 HydrophobicContact CD1-CB 4.34Å; I513-V516 PolarHBondContact O-N 2.94Å; V516-D518 VanDerWaalsContact C-N 3.32Å; V516-D518 PolarHBondContact O-N 3.07Å; V516-R519 PolarHBondContact O-N 3.22Å; V516-V520 WeakPolarHBondContact O-CG2 3.48Å; V516-V520 PolarHBondContact O-N 3.08Å
517	L	97.6	Very high	94.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-35.5	178.9	-68	175.3	0	0	0	112.6	L449 V475 L503 I513 V520 A521 L536 I538	L449-L517 HydrophobicContact CD2-CD1 4.39Å; L449-L517 HydrophobicContact CD2-CD2 4.05Å; V475-L517 HydrophobicContact CG1-CD1 3.66Å; L503-L517 HydrophobicContact CD1-CD2 4.03Å; I513-L517 HydrophobicContact CD1-CD1 4.48Å; I513-L517 HydrophobicContact CD1-CG 4.17Å; I513-L517 HydrophobicContact CG1-CD1 4.34Å; I513-L517 HydrophobicContact CG1-CG 4.49Å; I513-L517 WeakPolarHBondContact O-CG 3.25Å; I513-L517 PolarHBondContact O-N 3.33Å; L517-V520 WeakPolarHBondContact O-CB 2.92Å; L517-V520 PolarHBondContact O-N 3.18Å; L517-A521 PolarHBondContact O-N 3.09Å; L517-L536 HydrophobicContact CB-CD2 4.34Å; L517-L536 VanDerWaalsContact O-CD2 3.23Å; L517-L536 WeakPolarHBondContact O-CD2 3.23Å; L517-I538 VanDerWaalsContact C-CD1 3.44Å; L517-I538 HydrophobicContact CB-CD1 3.69Å; L517-I538 HydrophobicContact CB-CG1 4.02Å; L517-I538 HydrophobicContact CD1-CG2 4.43Å
518	D	95.9	Very high	93.6	Very high	88 Å²	88	52 Å²	52	47%	0.471	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-45.2	176.6	-157.7	43.7	0	0	0	111.2	T514 V515 V516 V520 A521 E522 I538	T514-D518 WeakPolarHBondContact O-CB 3.32Å; T514-D518 PolarHBondContact O-N 2.91Å; V515-D518 PolarHBondContact O-N 2.99Å; V516-D518 VanDerWaalsContact C-N 3.32Å; V516-D518 PolarHBondContact O-N 3.07Å; D518-V520 VanDerWaalsContact C-N 3.3Å; D518-V520 PolarHBondContact O-N 3.38Å; D518-A521 WeakPolarHBondContact O-CB 3.11Å; D518-A521 PolarHBondContact O-N 3.11Å; D518-A521 VanDerWaalsContact O-N 3.09Å; D518-E522 PolarHBondContact O-N 2.94Å; D518-I538 HydrophobicContact CB-CD1 4.24Å
519	R	96.1	Very high	93	Very high	77 Å²	77	51.4 Å²	51.4	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-37.4	172.8	-68.9	-178.7	-176	165.7	8.1	112.4	D509 E511 V515 V516 A521 E522 D523	D509-R519 IonicContact OD2-NH1 3.22Å; D509-R519 PolarHBondContact OD2-NH1 3.27Å; E511-R519 IonicContact OE1-CZ 3.67Å; E511-R519 IonicContact OE1-NH1 3.93Å; E511-R519 IonicContact OE1-NH2 3.98Å; E511-R519 PolarHBondContact OE1-NH2 2.92Å; V515-R519 WeakPolarHBondContact O-CG 3.15Å; V515-R519 PolarHBondContact O-N 3.35Å; V516-R519 PolarHBondContact O-N 3.22Å; R519-A521 VanDerWaalsContact C-N 3.33Å; R519-E522 PolarHBondContact O-N 3.1Å; R519-D523 VanDerWaalsContact O-CG 3.26Å; R519-D523 PolarHBondContact O-N 2.86Å
520	V	95.9	Very high	92.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-39.5	174.4	173.4	0	0	0	0	110.9	F499 F502 L503 R506 V516 L517 D518 D523 M524 L536	F499-V520 HydrophobicContact CD2-CG1 4.35Å; F499-V520 HydrophobicContact CE2-CG1 4.21Å; F502-V520 HydrophobicContact CB-CG1 4.04Å; L503-V520 HydrophobicContact CB-CG1 4.4Å; L503-V520 HydrophobicContact CD1-CG2 4.08Å; R506-V520 HydrophobicContact CB-CG2 3.82Å; R506-V520 HydrophobicContact CG-CG2 3.86Å; V516-V520 WeakPolarHBondContact O-CG2 3.48Å; V516-V520 PolarHBondContact O-N 3.08Å; L517-V520 WeakPolarHBondContact O-CB 2.92Å; L517-V520 PolarHBondContact O-N 3.18Å; D518-V520 VanDerWaalsContact C-N 3.3Å; D518-V520 PolarHBondContact O-N 3.38Å; V520-D523 PolarHBondContact O-N 3.07Å; V520-M524 HydrophobicContact CG1-CG 4.46Å; V520-M524 HydrophobicContact CG1-SD 4.04Å; V520-M524 WeakPolarHBondContact O-CB 3.23Å; V520-M524 VanDerWaalsContact O-CG 3.31Å; V520-M524 WeakPolarHBondContact O-CG 3.43Å; V520-M524 PolarHBondContact O-N 3.14Å; V520-L536 HydrophobicContact CB-CD2 4.35Å; V520-L536 HydrophobicContact CG1-CD2 4.22Å
521	A	94.3	Very high	91.8	Very high	25 Å²	25	52.9 Å²	52.9	21%	0.207	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.8	0	0	0	0	0	111.8	L517 D518 R519 M524 G525 L536	L517-A521 PolarHBondContact O-N 3.09Å; D518-A521 WeakPolarHBondContact O-CB 3.11Å; D518-A521 PolarHBondContact O-N 3.11Å; D518-A521 VanDerWaalsContact O-N 3.09Å; R519-A521 VanDerWaalsContact C-N 3.33Å; A521-M524 PolarHBondContact O-N 3.32Å; A521-G525 PolarHBondContact O-N 3.4Å; A521-L536 HydrophobicContact CB-CB 3.84Å; A521-L536 HydrophobicContact CB-CD2 3.9Å; A521-L536 HydrophobicContact CB-CG 4.46Å
522	E	93.3	Very high	91	Very high	114 Å²	114	54.6 Å²	54.6	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-48.6	174.3	-68.6	179.6	168.5	0	0	111.9	D518 R519 M524 G525 Q526	D518-E522 PolarHBondContact O-N 2.94Å; R519-E522 PolarHBondContact O-N 3.1Å; E522-M524 VanDerWaalsContact C-N 3.32Å; E522-M524 PolarHBondContact O-N 3.21Å; E522-G525 PolarHBondContact O-N 3.43Å; E522-G525 VanDerWaalsContact O-N 3.14Å; E522-Q526 PolarHBondContact O-N 3.47Å
523	D	92.9	Very high	90.3	Very high	28 Å²	28	59.1 Å²	59.1	15%	0.15	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-41.1	178.6	-70.3	-21.9	0	0	0	111.1	F502 R506 R519 V520 Q526	F502-D523 HydrophobicContact CB-CB 4.35Å; F502-D523 HydrophobicContact CD1-CB 3.76Å; F502-D523 HydrophobicContact CE1-CB 4.44Å; F502-D523 HydrophobicContact CG-CB 4.26Å; R506-D523 IonicContact CZ-OD1 2.76Å; R506-D523 IonicContact CZ-OD2 2.61Å; R506-D523 IonicContact NE-OD2 2.83Å; R506-D523 PolarHBondContact NE-OD2 3.25Å; R506-D523 IonicContact NH2-OD1 2.89Å; R506-D523 PolarHBondContact NH2-OD1 3.27Å; R506-D523 IonicContact NH2-OD2 3.31Å; R506-D523 PolarHBondContact NH2-OD2 3.14Å; R506-D523 VanDerWaalsContact NH2-OD2 3.1Å; R519-D523 VanDerWaalsContact O-CG 3.26Å; R519-D523 PolarHBondContact O-N 2.86Å; V520-D523 PolarHBondContact O-N 3.07Å; D523-Q526 PolarHBondContact O-N 3.32Å
524	M	91.8	Very high	89.8	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-38	174.2	-77	176.2	68.9	0	0	112.4	V498 F499 F502 V520 A521 E522 Q526 F527 Q534 L536	V498-M524 HydrophobicContact CG1-CE 4.2Å; F499-M524 HydrophobicContact CD2-SD 4.06Å; F502-M524 HydrophobicContact CB-CG 4.04Å; F502-M524 HydrophobicContact CD2-CB 4.33Å; F502-M524 HydrophobicContact CD2-CG 3.36Å; F502-M524 HydrophobicContact CE2-CG 4.05Å; F502-M524 HydrophobicContact CG-CG 3.9Å; V520-M524 HydrophobicContact CG1-CG 4.46Å; V520-M524 HydrophobicContact CG1-SD 4.04Å; V520-M524 WeakPolarHBondContact O-CB 3.23Å; V520-M524 VanDerWaalsContact O-CG 3.31Å; V520-M524 WeakPolarHBondContact O-CG 3.43Å; V520-M524 PolarHBondContact O-N 3.14Å; A521-M524 PolarHBondContact O-N 3.32Å; E522-M524 VanDerWaalsContact C-N 3.32Å; E522-M524 PolarHBondContact O-N 3.21Å; M524-Q526 PolarHBondContact O-N 3.13Å; M524-F527 WeakPolarHBondContact O-CB 3.41Å; M524-F527 PolarHBondContact O-N 3.04Å; M524-Q534 HydrophobicContact CE-CG 4.27Å; M524-L536 HydrophobicContact CE-CB 4.39Å; M524-L536 HydrophobicContact SD-CB 3.99Å; M524-L536 HydrophobicContact SD-CD1 4.1Å
525	G	88.8	Confident	89.6	Confident	55 Å²	55	60.6 Å²	60.6	57%	0.567	35%	0.349	S	S	*	.	H	α-helix	trans	-65.8	-24.3	179.2	0	0	0	0	0	113.9	A521 E522 F527	A521-G525 PolarHBondContact O-N 3.4Å; E522-G525 PolarHBondContact O-N 3.43Å; E522-G525 VanDerWaalsContact O-N 3.14Å; G525-F527 VanDerWaalsContact C-N 3.32Å
526	Q	90	Very high	89.5	Confident	153 Å²	153	59 Å²	59	72%	0.715	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.5	174.4	-64.1	177.5	21.8	0	0	113.1	E522 D523 M524 D528	E522-Q526 PolarHBondContact O-N 3.47Å; D523-Q526 PolarHBondContact O-N 3.32Å; M524-Q526 PolarHBondContact O-N 3.13Å; Q526-D528 PolarHBondContact O-N 3.19Å
527	F	88.9	Confident	89.3	Confident	46 Å²	46	60.7 Å²	60.7	20%	0.202	35%	0.346	C	S	.	.			trans	-87.6	105.1	-177.7	-169.6	-128.7	0	0	0	111.7	L489 V498 K501 F502 M524 G525 A529 T530 K531	L489-F527 HydrophobicContact CD1-CZ 4.41Å; L489-F527 HydrophobicContact CD2-CE1 4.28Å; L489-F527 HydrophobicContact CD2-CZ 4.29Å; V498-F527 HydrophobicContact CG1-CD1 4.24Å; K501-F527 VanDerWaalsContact NZ-CZ 3.28Å; F502-F527 HydrophobicContact CE2-CB 3.99Å; F502-F527 AromaticContact CE2-CD1 3.95Å; F502-F527 HydrophobicContact CE2-CD1 3.95Å; F502-F527 AromaticContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CZ-CB 3.62Å; F502-F527 HydrophobicContact CZ-CD1 4.05Å; F502-F527 AromaticContact CZ-CD2 3.96Å; F502-F527 HydrophobicContact CZ-CD2 3.96Å; F502-F527 AromaticContact CZ-CG 3.61Å; F502-F527 HydrophobicContact CZ-CG 3.61Å; M524-F527 WeakPolarHBondContact O-CB 3.41Å; M524-F527 PolarHBondContact O-N 3.04Å; G525-F527 VanDerWaalsContact C-N 3.32Å; F527-A529 VanDerWaalsContact C-N 3.25Å; F527-A529 HydrophobicContact CD1-CB 4.22Å; F527-A529 HydrophobicContact CE1-CB 3.65Å; F527-A529 HydrophobicContact CE2-CB 4.33Å; F527-A529 HydrophobicContact CZ-CB 3.69Å; F527-A529 PolarHBondContact O-N 2.91Å; F527-A529 VanDerWaalsContact O-N 3.15Å; F527-T530 HydrophobicContact CD1-CG2 4.1Å; F527-T530 WeakPolarHBondContact CD1-OG1 3.35Å; F527-T530 HydrophobicContact CE1-CG2 4.25Å; F527-T530 PolarHBondContact O-N 3.47Å; F527-T530 PolarHBondContact O-OG1 2.96Å; F527-K531 PolarHBondContact O-N 2.65Å
528	D	84.9	Confident	89.2	Confident	126 Å²	126	63.1 Å²	63.1	67%	0.674	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-58.7	-31.7	-173.2	-73.3	-39	0	0	0	114.3	Q526 T530 K531	Q526-D528 PolarHBondContact O-N 3.19Å; D528-T530 VanDerWaalsContact C-N 3.26Å; D528-T530 PolarHBondContact O-N 2.83Å; D528-K531 WeakPolarHBondContact O-CB 3.42Å; D528-K531 PolarHBondContact O-N 2.81Å
529	A	81.6	Confident	89.1	Confident	60 Å²	60	63.4 Å²	63.4	50%	0.496	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-66.7	-25	-176.1	0	0	0	0	0	113.7	F527	F527-A529 VanDerWaalsContact C-N 3.25Å; F527-A529 HydrophobicContact CD1-CB 4.22Å; F527-A529 HydrophobicContact CE1-CB 3.65Å; F527-A529 HydrophobicContact CE2-CB 4.33Å; F527-A529 HydrophobicContact CZ-CB 3.69Å; F527-A529 PolarHBondContact O-N 2.91Å; F527-A529 VanDerWaalsContact O-N 3.15Å
530	T	80	Confident	89	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.037	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-111	2.8	179.8	52.5	0	0	0	0	113.8	V498 F527 D528 G532 K533 Q534	V498-T530 HydrophobicContact CB-CG2 4.22Å; V498-T530 HydrophobicContact CG1-CG2 3.74Å; V498-T530 HydrophobicContact CG2-CG2 3.57Å; F527-T530 HydrophobicContact CD1-CG2 4.1Å; F527-T530 WeakPolarHBondContact CD1-OG1 3.35Å; F527-T530 HydrophobicContact CE1-CG2 4.25Å; F527-T530 PolarHBondContact O-N 3.47Å; F527-T530 PolarHBondContact O-OG1 2.96Å; D528-T530 VanDerWaalsContact C-N 3.26Å; D528-T530 PolarHBondContact O-N 2.83Å; T530-G532 PolarHBondContact O-N 3.39Å; T530-K533 PolarHBondContact O-N 3.22Å; T530-Q534 PolarHBondContact O-N 3.13Å
531	K	82.3	Confident	88.7	Confident	150 Å²	150	65 Å²	65	65%	0.652	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	121.8	-179.4	-164.3	173.1	-169.8	168.2	0	111.3	F527 D528 K533	F527-K531 PolarHBondContact O-N 2.65Å; D528-K531 WeakPolarHBondContact O-CB 3.42Å; D528-K531 PolarHBondContact O-N 2.81Å; K531-K533 PolarHBondContact O-N 2.85Å
532	G	77.8	Confident	88.6	Confident	91 Å²	91	64.3 Å²	64.3	94%	0.938	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	3.8	-177.9	0	0	0	0	0	115.3	T530	T530-G532 PolarHBondContact O-N 3.39Å
533	K	80.2	Confident	88.1	Confident	134 Å²	134	62.8 Å²	62.8	58%	0.583	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-40.1	178.3	-65.6	-176.5	179.4	178.8	0	112.9	F487 T530 K531	F487-K533 HydrophobicContact CD2-CB 4.4Å; F487-K533 HydrophobicContact CE2-CB 3.79Å; F487-K533 HydrophobicContact CZ-CB 4.42Å; T530-K533 PolarHBondContact O-N 3.22Å; K531-K533 PolarHBondContact O-N 2.85Å
534	Q	86.6	Confident	87.8	Confident	9 Å²	9	65.5 Å²	65.5	4%	0.042	38%	0.382	C	S	.	.			trans	-142.1	132.7	-179.4	179.3	176.8	0.5	0	0	109.6	A479 F487 M524 T530	A479-Q534 WeakPolarHBondContact O-CG 2.92Å; A479-Q534 PolarHBondContact O-NE2 3.45Å; F487-Q534 HydrophobicContact CD2-CB 4.09Å; M524-Q534 HydrophobicContact CE-CG 4.27Å; T530-Q534 PolarHBondContact O-N 3.13Å
535	A	89.4	Confident	87.7	Confident	49 Å²	49	70.4 Å²	70.4	41%	0.405	40%	0.401	S	S	.	.			trans	-144.5	141.7	175.8	0	0	0	0	0	109.1	T480 C481 E537	T480-A535 CarbonylContact C-O 3.47Å; T480-A535 VanDerWaalsContact C-O 3.32Å; T480-A535 WeakPolarHBondContact CA-O 3.48Å; C481-A535 PolarHBondContact N-O 3.31Å; A535-E537 PolarHBondContact O-N 2.92Å
536	L	93.2	Very high	87.9	Confident	19 Å²	19	69.5 Å²	69.5	10%	0.099	38%	0.38	C	S	.	.			trans	-68.3	131	179.2	-165.1	79.2	0	0	0	110.4	Y478 F499 L517 V520 A521 M524 I538	Y478-L536 WeakPolarHBondContact O-CA 3.5Å; Y478-L536 WeakPolarHBondContact O-CD1 3.42Å; F499-L536 HydrophobicContact CD2-CD1 3.42Å; F499-L536 VanDerWaalsContact CD2-CD1 3.42Å; F499-L536 HydrophobicContact CE2-CD1 3.18Å; F499-L536 HydrophobicContact CE2-CD2 4.4Å; F499-L536 HydrophobicContact CE2-CG 4.44Å; F499-L536 HydrophobicContact CG-CD1 4.41Å; F499-L536 HydrophobicContact CZ-CD1 4Å; L517-L536 HydrophobicContact CB-CD2 4.34Å; L517-L536 VanDerWaalsContact O-CD2 3.23Å; L517-L536 WeakPolarHBondContact O-CD2 3.23Å; V520-L536 HydrophobicContact CB-CD2 4.35Å; V520-L536 HydrophobicContact CG1-CD2 4.22Å; A521-L536 HydrophobicContact CB-CB 3.84Å; A521-L536 HydrophobicContact CB-CD2 3.9Å; A521-L536 HydrophobicContact CB-CG 4.46Å; M524-L536 HydrophobicContact CE-CB 4.39Å; M524-L536 HydrophobicContact SD-CB 3.99Å; M524-L536 HydrophobicContact SD-CD1 4.1Å; L536-I538 HydrophobicContact CD2-CD1 4.24Å; L536-I538 HydrophobicContact CD2-CG1 3.99Å; L536-I538 HydrophobicContact CG-CG1 4.41Å
537	E	94.8	Very high	88.2	Confident	40 Å²	40	62.2 Å²	62.2	19%	0.187	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.2	169	-174.6	-177.3	162.8	0	0	109.6	R454 Y478 Q482 A535 R539	R454-E537 IonicContact CZ-OE2 3.96Å; R454-E537 IonicContact NH1-OE2 3.39Å; R454-E537 PolarHBondContact NH1-OE2 3Å; R454-E537 IonicContact NH2-OE2 3.27Å; Y478-E537 HydrophobicContact CD2-CB 4.45Å; Y478-E537 PolarHBondContact N-O 3.05Å; Y478-E537 PolarHBondContact O-N 3.13Å; Q482-E537 PolarHBondContact N-OE2 3.35Å; A535-E537 PolarHBondContact O-N 2.92Å; E537-R539 IonicContact OE1-CZ 3.53Å; E537-R539 IonicContact OE1-NE 2.68Å; E537-R539 PolarHBondContact OE1-NE 2.83Å; E537-R539 IonicContact OE1-NH2 3.63Å; E537-R539 PolarHBondContact OE1-NH2 3.01Å
538	I	95.5	Very high	88.5	Confident	52 Å²	52	60.3 Å²	60.3	27%	0.267	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.9	178.7	-53	166.5	0	0	0	108.3	F476 L517 D518 L536	F476-I538 WeakPolarHBondContact O-CA 3.43Å; L517-I538 VanDerWaalsContact C-CD1 3.44Å; L517-I538 HydrophobicContact CB-CD1 3.69Å; L517-I538 HydrophobicContact CB-CG1 4.02Å; L517-I538 HydrophobicContact CD1-CG2 4.43Å; D518-I538 HydrophobicContact CB-CD1 4.24Å; L536-I538 HydrophobicContact CD2-CD1 4.24Å; L536-I538 HydrophobicContact CD2-CG1 3.99Å; L536-I538 HydrophobicContact CG-CG1 4.41Å
539	R	93.2	Very high	89.1	Confident	94 Å²	94	55.9 Å²	55.9	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.6	169	-64	-172.4	179.9	175.8	1.8	109.1	F476 Y478 E537	F476-R539 HydrophobicContact CB-CB 4.24Å; F476-R539 PolarHBondContact N-O 3.49Å; F476-R539 PolarHBondContact O-N 3.13Å; Y478-R539 HydrophobicContact CE2-CB 4.33Å; Y478-R539 HydrophobicContact CE2-CG 4.09Å; E537-R539 IonicContact OE1-CZ 3.53Å; E537-R539 IonicContact OE1-NE 2.68Å; E537-R539 PolarHBondContact OE1-NE 2.83Å; E537-R539 IonicContact OE1-NH2 3.63Å; E537-R539 PolarHBondContact OE1-NH2 3.01Å
540	S	93.2	Very high	89.7	Confident	57 Å²	57	53.2 Å²	53.2	40%	0.399	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.3	-175.8	-178.7	0	0	0	0	111.9	I474 T514 L542	I474-S540 WeakPolarHBondContact O-CA 3.45Å; I474-S540 PolarHBondContact O-OG 3.04Å; T514-S540 WeakPolarHBondContact CG2-OG 3.29Å; S540-L542 WeakPolarHBondContact OG-CB 3.34Å; S540-L542 PolarHBondContact OG-N 3.33Å
541	S	90.2	Very high	90.1	Very high	54 Å²	54	54.9 Å²	54.9	38%	0.378	30%	0.304	S	S	.	.			trans	-111.6	8.7	164	74.7	0	0	0	0	111.5	A472 I474 S543	A472-S541 CarbonylContact C-O 3.4Å; A472-S541 WeakPolarHBondContact CA-O 3.37Å; I474-S541 PolarHBondContact O-N 3.08Å; S541-S543 PolarHBondContact O-N 2.59Å
542	L	91.3	Very high	90.3	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	29%	0.288	C	S	.	.			trans	-66.7	110.2	-175	178	64.2	0	0	0	111.1	L445 A472 N473 V475 K512 I513 T514 S540 E544 R546	L445-L542 HydrophobicContact CD1-CD1 3.78Å; L445-L542 HydrophobicContact CD1-CD2 3.95Å; L445-L542 HydrophobicContact CD1-CG 4.43Å; A472-L542 VanDerWaalsContact O-CA 3.29Å; A472-L542 WeakPolarHBondContact O-CA 3.29Å; N473-L542 HydrophobicContact CB-CD1 4.35Å; V475-L542 HydrophobicContact CG2-CB 3.7Å; V475-L542 HydrophobicContact CG2-CD2 3.83Å; V475-L542 HydrophobicContact CG2-CG 4.36Å; K512-L542 HydrophobicContact CG-CD2 4.14Å; K512-L542 PolarHBondContact NZ-O 2.91Å; I513-L542 HydrophobicContact CG2-CD2 3.63Å; T514-L542 HydrophobicContact CG2-CB 4.46Å; T514-L542 HydrophobicContact CG2-CD2 4.39Å; S540-L542 WeakPolarHBondContact OG-CB 3.34Å; S540-L542 PolarHBondContact OG-N 3.33Å; L542-E544 WeakPolarHBondContact CG-O 3.23Å; L542-R546 HydrophobicContact CD1-CB 4.22Å; L542-R546 HydrophobicContact CD1-CG 4.28Å; L542-R546 HydrophobicContact CD2-CB 4.32Å
543	S	84.3	Confident	90.5	Very high	82 Å²	82	51.1 Å²	51.1	57%	0.573	27%	0.268	S	S	*	.			trans	-81.1	-48	178.2	53.1	0	0	0	0	112	A472 K512 S541	A472-S543 PolarHBondContact O-N 2.88Å; A472-S543 PolarHBondContact O-OG 3.36Å; K512-S543 PolarHBondContact NZ-O 3.01Å; K512-S543 VanDerWaalsContact NZ-O 3.17Å; S541-S543 PolarHBondContact O-N 2.59Å
544	E	85.3	Confident	89.8	Confident	84 Å²	84	48.4 Å²	48.4	39%	0.393	27%	0.265	S	S	.	.	S	Bend	trans	-74	160.1	-175.3	-62.5	178.5	127.6	0	0	113.3	L327 K512 L542 R546	L327-E544 HydrophobicContact CD1-CB 4.02Å; K512-E544 WeakPolarHBondContact CE-O 3.37Å; K512-E544 PolarHBondContact NZ-O 2.81Å; K512-E544 VanDerWaalsContact NZ-O 3.16Å; L542-E544 WeakPolarHBondContact CG-O 3.23Å; E544-R546 HydrophobicContact CB-CG 4.09Å; E544-R546 PolarHBondContact O-N 3.12Å; E544-R546 IonicContact OE1-NH2 2.88Å; E544-R546 IonicContact OE2-CZ 3.32Å; E544-R546 IonicContact OE2-NE 3.81Å; E544-R546 PolarHBondContact OE2-NE 2.83Å; E544-R546 IonicContact OE2-NH2 2.71Å; E544-R546 PolarHBondContact OE2-NH2 2.7Å
545	R	90.3	Very high	88.3	Confident	108 Å²	108	51 Å²	51	41%	0.408	28%	0.284	S	S	.	.			trans	-80.4	50.4	177.3	-165.5	-161.5	173.9	-101.3	-3.8	111.8	L327 D510 E511 K512	L327-R545 VanDerWaalsContact CD1-C 3.45Å; L327-R545 HydrophobicContact CD1-CB 4.49Å; L327-R545 WeakPolarHBondContact CD1-O 3.2Å; D510-R545 PolarHBondContact O-NH2 3.48Å; E511-R545 IonicContact OE2-NH2 2.88Å; E511-R545 PolarHBondContact OE2-NH2 2.92Å; K512-R545 HydrophobicContact CB-CG 4.04Å
546	R	93.9	Very high	86.3	Confident	35 Å²	35	56.1 Å²	56.1	13%	0.132	31%	0.305	C	S	.	.			trans	-75.1	130.2	179.4	-63.2	-174.3	-179.5	-84.9	1.1	110.8	L327 Y396 G444 L445 K512 I513 L542 E544 D550	L327-R546 HydrophobicContact CD1-CB 4.46Å; L327-R546 HydrophobicContact CD1-CG 3.65Å; Y396-R546 HydrophobicContact CE2-CB 4.42Å; Y396-R546 WeakPolarHBondContact OH-CD 3.27Å; Y396-R546 WeakPolarHBondContact OH-CG 3.34Å; Y396-R546 PolarHBondContact OH-NH1 2.88Å; G444-R546 WeakPolarHBondContact O-CD 3.42Å; G444-R546 PolarHBondContact O-NE 3.41Å; L445-R546 HydrophobicContact CD1-CB 4.24Å; L445-R546 HydrophobicContact CD2-CB 4.23Å; K512-R546 WeakPolarHBondContact CA-O 3.23Å; I513-R546 PolarHBondContact N-O 2.97Å; I513-R546 VanDerWaalsContact N-O 3.16Å; L542-R546 HydrophobicContact CD1-CB 4.22Å; L542-R546 HydrophobicContact CD1-CG 4.28Å; L542-R546 HydrophobicContact CD2-CB 4.32Å; E544-R546 HydrophobicContact CB-CG 4.09Å; E544-R546 PolarHBondContact O-N 3.12Å; E544-R546 IonicContact OE1-NH2 2.88Å; E544-R546 IonicContact OE2-CZ 3.32Å; E544-R546 IonicContact OE2-NE 3.81Å; E544-R546 PolarHBondContact OE2-NE 2.83Å; E544-R546 IonicContact OE2-NH2 2.71Å; E544-R546 PolarHBondContact OE2-NH2 2.7Å; R546-D550 WeakPolarHBondContact CA-OD2 3.26Å
547	A	95.6	Very high	84.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.316	C	S	.	.			trans	-119	155.3	178.6	0	0	0	0	0	110.2	Y396 E511 T549 D550	Y396-A547 WeakPolarHBondContact CE2-O 3.43Å; E511-A547 WeakPolarHBondContact O-CB 3.36Å; A547-T549 VanDerWaalsContact CB-OG1 3.24Å; A547-T549 WeakPolarHBondContact CB-OG1 3.4Å; A547-T549 PolarHBondContact O-N 2.83Å; A547-D550 PolarHBondContact N-OD1 3.39Å; A547-D550 PolarHBondContact N-OD2 3.06Å; A547-D550 WeakPolarHBondContact O-CB 3.26Å; A547-D550 PolarHBondContact O-N 2.93Å
548	L	96.3	Very high	82.5	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.8	174.7	-57.7	-177.7	0	0	0	111.8	K332 L365 F367 L398 L445 V447 L507 I513 D550	K332-L548 PolarHBondContact NZ-O 2.85Å; L365-L548 HydrophobicContact CD1-CB 3.88Å; F367-L548 HydrophobicContact CE2-CB 4.25Å; F367-L548 HydrophobicContact CZ-CD2 4.02Å; L398-L548 HydrophobicContact CD1-CD1 4.28Å; L398-L548 HydrophobicContact CD1-CD2 4.24Å; L445-L548 HydrophobicContact CD2-CD2 4.32Å; V447-L548 HydrophobicContact CG2-CD2 4.29Å; L507-L548 HydrophobicContact CD1-CD1 3.59Å; L507-L548 HydrophobicContact CG-CD1 4.22Å; I513-L548 HydrophobicContact CD1-CD1 3.76Å; I513-L548 HydrophobicContact CD1-CD2 4.44Å; I513-L548 HydrophobicContact CD1-CG 3.95Å; I513-L548 HydrophobicContact CG1-CD2 4.48Å; I513-L548 HydrophobicContact CG1-CG 4.42Å; L548-D550 VanDerWaalsContact C-N 3.29Å
549	T	95.8	Very high	80.7	Confident	34 Å²	34	62.2 Å²	62.2	21%	0.209	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.6	174.4	47	0	0	0	0	113.9	L365 D510 A547	L365-T549 HydrophobicContact CD2-CG2 3.61Å; D510-T549 HydrophobicContact CB-CG2 4.3Å; D510-T549 WeakPolarHBondContact OD1-CB 3.49Å; D510-T549 PolarHBondContact OD1-OG1 3.02Å; A547-T549 VanDerWaalsContact CB-OG1 3.24Å; A547-T549 WeakPolarHBondContact CB-OG1 3.4Å; A547-T549 PolarHBondContact O-N 2.83Å
550	D	93.9	Very high	79.1	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-53.5	132.2	179.9	-72.9	-13.6	0	0	0	110.8	L327 K332 Y396 R546 A547 L548	L327-D550 WeakPolarHBondContact O-CB 3.34Å; K332-D550 PolarHBondContact NZ-O 3.5Å; Y396-D550 HydrophobicContact CE2-CB 3.77Å; Y396-D550 VanDerWaalsContact CE2-OD2 3.3Å; Y396-D550 WeakPolarHBondContact CE2-OD2 3.45Å; Y396-D550 PolarHBondContact OH-OD2 2.72Å; R546-D550 WeakPolarHBondContact CA-OD2 3.26Å; A547-D550 PolarHBondContact N-OD1 3.39Å; A547-D550 PolarHBondContact N-OD2 3.06Å; A547-D550 WeakPolarHBondContact O-CB 3.26Å; A547-D550 PolarHBondContact O-N 2.93Å; L548-D550 VanDerWaalsContact C-N 3.29Å
551	P	89.5	Confident	77.6	Confident	42 Å²	42	61 Å²	61	27%	0.273	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.3	154.4	179.1	20.8	-30.2	0	0	0	112.8	Q326 L327 Y328 A329	Q326-P551 HydrophobicContact CG-CG 3.58Å; L327-P551 WeakPolarHBondContact O-CD 3.19Å; Y328-P551 VanDerWaalsContact CA-O 3.31Å; Y328-P551 WeakPolarHBondContact CA-O 3.5Å; Y328-P551 HydrophobicContact CD1-CB 4.01Å; Y328-P551 HydrophobicContact CD1-CG 3.49Å; Y328-P551 VanDerWaalsContact CD1-CG 3.49Å; Y328-P551 HydrophobicContact CE1-CB 4.17Å; Y328-P551 HydrophobicContact CE1-CG 3.48Å; Y328-P551 VanDerWaalsContact CE1-CG 3.48Å; Y328-P551 HydrophobicContact CG-CG 4.44Å; A329-P551 PolarHBondContact N-O 2.92Å
552	I	87.3	Confident	76.3	Confident	59 Å²	59	63.7 Å²	63.7	30%	0.303	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-89.3	125.7	176.8	-60	176.4	0	0	0	109.1	A329 T330 K332 N366	A329-I552 CarbonylContact O-C 3.58Å; A329-I552 VanDerWaalsContact O-CA 3.28Å; A329-I552 WeakPolarHBondContact O-CA 3.22Å; T330-I552 WeakPolarHBondContact O-CG2 3.27Å; K332-I552 HydrophobicContact CB-CD1 4.24Å; K332-I552 HydrophobicContact CD-CG1 4.28Å; K332-I552 HydrophobicContact CG-CD1 4.11Å; K332-I552 HydrophobicContact CG-CG1 3.98Å; N366-I552 HydrophobicContact CB-CD1 4.06Å; N366-I552 WeakPolarHBondContact O-CD1 3.5Å
553	L	81.3	Confident	75.1	Confident	102 Å²	102	65.7 Å²	65.7	53%	0.534	37%	0.372	S	S	.	.			trans	-121.7	101.6	172.1	-161	126.3	0	0	0	108.9	Y328 A329	Y328-L553 HydrophobicContact CD1-CB 3.89Å; Y328-L553 HydrophobicContact CD1-CD1 4.02Å; Y328-L553 HydrophobicContact CE1-CD1 4.17Å; Y328-L553 HydrophobicContact CG-CB 4.08Å; Y328-L553 HydrophobicContact CG-CD1 4.47Å; A329-L553 PolarHBondContact O-N 3Å
554	P	64.4	Low	74.5	Confident	78 Å²	78	63.1 Å²	63.1	51%	0.506	35%	0.35	S	S	.	.			trans	-60.4	139.6	-176	-21	31.4	0	0	0	111.7
555	S	56.1	Low	73.8	Confident	64 Å²	64	61.2 Å²	61.2	45%	0.448	35%	0.346	S	S	.	.			trans	-70.6	151.7	174.3	173.5	0	0	0	0	111.3	S557	S555-S557 PolarHBondContact O-N 2.93Å
556	D	48	Very low	73	Confident	156 Å²	156	64.7 Å²	64.7	83%	0.834	36%	0.359	S	S	*	.	S	Bend	trans	-53.2	-9.8	179.2	-61.6	-35.6	0	0	0	116	A558	D556-A558 PolarHBondContact O-N 3.04Å
557	S	52.6	Low	72	Confident	50 Å²	50	65.4 Å²	65.4	35%	0.35	36%	0.364	S	S	.	.			trans	-88.5	78.7	177.4	-179.8	0	0	0	0	111.9	S555 D559 L560 V561	S555-S557 PolarHBondContact O-N 2.93Å; S557-D559 PolarHBondContact O-N 3.34Å; S557-D559 VanDerWaalsContact O-N 3.14Å; S557-L560 PolarHBondContact O-N 3.27Å; S557-V561 PolarHBondContact O-N 2.87Å
558	A	54.7	Low	71.1	Confident	52 Å²	52	67.4 Å²	67.4	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-49.1	-40.2	178.6	0	0	0	0	0	113.4	D556 L560 V561 H562	D556-A558 PolarHBondContact O-N 3.04Å; A558-L560 PolarHBondContact O-N 2.97Å; A558-V561 PolarHBondContact O-N 2.95Å; A558-H562 WeakPolarHBondContact O-CB 3.4Å; A558-H562 PolarHBondContact O-CD2 3.35Å; A558-H562 VanDerWaalsContact O-CG 3.29Å; A558-H562 PolarHBondContact O-N 2.96Å
559	D	57.6	Low	70.1	Confident	137 Å²	137	69.2 Å²	69.2	73%	0.733	39%	0.388	S	S	*	.	H	α-helix	trans	-64.3	-38.3	-176.1	-66.5	-28.5	0	0	0	114.1	S557 A563	S557-D559 PolarHBondContact O-N 3.34Å; S557-D559 VanDerWaalsContact O-N 3.14Å; D559-A563 WeakPolarHBondContact O-CB 3.2Å; D559-A563 PolarHBondContact O-N 3.19Å
560	L	60.6	Low	69.1	Low	92 Å²	92	71.3 Å²	71.3	48%	0.482	39%	0.394	S	S	.	.	H	α-helix	trans	-71.5	-42.8	177.9	-89.6	160.1	0	0	0	111.2	S557 A558 H562 A563 H564	S557-L560 PolarHBondContact O-N 3.27Å; A558-L560 PolarHBondContact O-N 2.97Å; L560-H562 VanDerWaalsContact C-N 3.32Å; L560-H562 PolarHBondContact O-N 2.97Å; L560-A563 PolarHBondContact O-N 3.36Å; L560-H564 PolarHBondContact O-CD2 2.95Å; L560-H564 PolarHBondContact O-N 2.91Å
561	V	60.6	Low	68.1	Low	34 Å²	34	71.3 Å²	71.3	21%	0.206	39%	0.394	C	S	.	.	H	α-helix	trans	-62.8	-40.4	177.1	178.2	0	0	0	0	110.8	S557 A558 S565	S557-V561 PolarHBondContact O-N 2.87Å; A558-V561 PolarHBondContact O-N 2.95Å; V561-S565 VanDerWaalsContact O-CB 3.28Å; V561-S565 WeakPolarHBondContact O-CB 3.41Å; V561-S565 PolarHBondContact O-N 3.4Å; V561-S565 PolarHBondContact O-OG 3.26Å
562	H	63.8	Low	67.6	Low	109 Å²	109	69.9 Å²	69.9	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-41.1	175.1	-71.1	-50.7	0	0	0	112.8	A558 L560 R566	A558-H562 WeakPolarHBondContact O-CB 3.4Å; A558-H562 PolarHBondContact O-CD2 3.35Å; A558-H562 VanDerWaalsContact O-CG 3.29Å; A558-H562 PolarHBondContact O-N 2.96Å; L560-H562 VanDerWaalsContact C-N 3.32Å; L560-H562 PolarHBondContact O-N 2.97Å; H562-R566 WeakPolarHBondContact O-CB 3.4Å; H562-R566 VanDerWaalsContact O-CG 3.24Å; H562-R566 WeakPolarHBondContact O-CG 3.47Å; H562-R566 PolarHBondContact O-N 2.92Å
563	A	65.9	Low	67.3	Low	53 Å²	53	72.2 Å²	72.2	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-44.6	177.4	0	0	0	0	0	112.2	D559 L560 R566 Q567	D559-A563 WeakPolarHBondContact O-CB 3.2Å; D559-A563 PolarHBondContact O-N 3.19Å; L560-A563 PolarHBondContact O-N 3.36Å; A563-R566 PolarHBondContact O-N 3.1Å; A563-Q567 PolarHBondContact O-N 2.8Å
564	H	70.3	Confident	67.6	Low	28 Å²	28	68.6 Å²	68.6	13%	0.13	37%	0.374	C	S	.	.	H	α-helix	trans	-71.9	-37.6	-178.9	-64.8	-176.2	0	0	0	112.1	L390 H392 L560 R566 Q567 W568	L390-H564 HydrophobicContact CD2-CB 4.16Å; H392-H564 AromaticContact CD2-CE1 3.58Å; H392-H564 AromaticContact CD2-ND1 3.45Å; H392-H564 PolarHBondContact CD2-ND1 3.07Å; L560-H564 PolarHBondContact O-CD2 2.95Å; L560-H564 PolarHBondContact O-N 2.91Å; H564-R566 VanDerWaalsContact C-N 3.31Å; H564-R566 PolarHBondContact O-N 3.39Å; H564-Q567 PolarHBondContact O-N 2.97Å; H564-W568 WeakPolarHBondContact O-CB 3.37Å; H564-W568 PolarHBondContact O-N 3.35Å
565	S	70.9	Confident	68.7	Low	44 Å²	44	65.7 Å²	65.7	31%	0.308	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-32.9	174.2	-55.7	0	0	0	0	111.9	K368 V561 W568 A569	K368-S565 PolarHBondContact NZ-OG 3.42Å; K368-S565 VanDerWaalsContact NZ-OG 3.1Å; V561-S565 VanDerWaalsContact O-CB 3.28Å; V561-S565 WeakPolarHBondContact O-CB 3.41Å; V561-S565 PolarHBondContact O-N 3.4Å; V561-S565 PolarHBondContact O-OG 3.26Å; S565-W568 WeakPolarHBondContact O-CB 3.41Å; S565-A569 VanDerWaalsContact O-CB 3.31Å; S565-A569 WeakPolarHBondContact O-CB 3.33Å; S565-A569 PolarHBondContact O-N 3.32Å
566	R	73.3	Confident	70.2	Confident	181 Å²	181	71 Å²	71	68%	0.683	37%	0.373	S	S	*	.	H	α-helix	trans	-68.6	-41.8	170.5	-75.7	174.7	-175	-178.1	3.5	112.4	H562 A563 H564 W568 A569 K570	H562-R566 WeakPolarHBondContact O-CB 3.4Å; H562-R566 VanDerWaalsContact O-CG 3.24Å; H562-R566 WeakPolarHBondContact O-CG 3.47Å; H562-R566 PolarHBondContact O-N 2.92Å; A563-R566 PolarHBondContact O-N 3.1Å; H564-R566 VanDerWaalsContact C-N 3.31Å; H564-R566 PolarHBondContact O-N 3.39Å; R566-W568 VanDerWaalsContact C-N 3.31Å; R566-A569 PolarHBondContact O-N 3.44Å; R566-K570 WeakPolarHBondContact O-CG 3.48Å; R566-K570 PolarHBondContact O-N 3.23Å; R566-K570 VanDerWaalsContact O-N 3.07Å
567	Q	72.7	Confident	72.2	Confident	49 Å²	49	65.1 Å²	65.1	23%	0.229	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-41.1	176.4	-168.7	71.2	-1.8	0	0	111.1	E386 L390 A563 H564 K570	E386-Q567 PolarHBondContact OE2-NE2 3.41Å; L390-Q567 HydrophobicContact CD2-CB 4.11Å; L390-Q567 HydrophobicContact CD2-CG 4.29Å; A563-Q567 PolarHBondContact O-N 2.8Å; H564-Q567 PolarHBondContact O-N 2.97Å; Q567-K570 PolarHBondContact O-N 3.25Å
568	W	77.5	Confident	74	Confident	42 Å²	42	65.1 Å²	65.1	16%	0.159	34%	0.339	C	S	.	.	H	α-helix	trans	-57.7	-52.3	171.6	179.1	-105.4	0	0	0	112.8	K368 V369 V370 L390 H564 S565 R566 K570 A571 H572	K368-W568 VanDerWaalsContact C-CZ2 3.5Å; K368-W568 HydrophobicContact CB-CD2 3.52Å; K368-W568 HydrophobicContact CB-CE3 3.69Å; K368-W568 HydrophobicContact CB-CG 4.08Å; K368-W568 HydrophobicContact CB-CH2 4.32Å; K368-W568 HydrophobicContact CB-CZ2 4.09Å; K368-W568 HydrophobicContact CB-CZ3 4.04Å; K368-W568 HydrophobicContact CD-CB 4.3Å; K368-W568 HydrophobicContact CD-CD2 4.25Å; K368-W568 HydrophobicContact CD-CG 3.95Å; K368-W568 HydrophobicContact CG-CD2 3.93Å; K368-W568 HydrophobicContact CG-CG 3.97Å; V369-W568 WeakPolarHBondContact O-CH2 3.36Å; V369-W568 WeakPolarHBondContact O-CZ2 3.28Å; V370-W568 HydrophobicContact CB-CH2 4.33Å; V370-W568 HydrophobicContact CB-CZ3 4.34Å; V370-W568 HydrophobicContact CG2-CE3 4.37Å; V370-W568 HydrophobicContact CG2-CH2 3.68Å; V370-W568 HydrophobicContact CG2-CZ3 3.28Å; L390-W568 HydrophobicContact CD1-CE3 3.91Å; L390-W568 HydrophobicContact CD1-CZ3 4.36Å; H564-W568 WeakPolarHBondContact O-CB 3.37Å; H564-W568 PolarHBondContact O-N 3.35Å; S565-W568 WeakPolarHBondContact O-CB 3.41Å; R566-W568 VanDerWaalsContact C-N 3.31Å; W568-K570 VanDerWaalsContact C-N 3.27Å; W568-K570 PolarHBondContact O-N 3.27Å; W568-A571 PolarHBondContact O-N 3.15Å; W568-A571 VanDerWaalsContact O-N 3.09Å; W568-H572 AromaticContact CE2-CE1 3.97Å; W568-H572 AromaticContact CE2-ND1 3.62Å; W568-H572 AromaticContact CH2-CE1 2.92Å; W568-H572 WeakPolarHBondContact CH2-CE1 3.36Å; W568-H572 AromaticContact CH2-ND1 3.43Å; W568-H572 WeakPolarHBondContact CH2-ND1 3.31Å; W568-H572 AromaticContact CH2-NE2 3.52Å; W568-H572 AromaticContact CZ2-CD2 3.9Å; W568-H572 AromaticContact CZ2-CE1 3.15Å; W568-H572 WeakPolarHBondContact CZ2-CE1 3.42Å; W568-H572 AromaticContact CZ2-CG 3.75Å; W568-H572 AromaticContact CZ2-ND1 3.23Å; W568-H572 WeakPolarHBondContact CZ2-ND1 3.36Å; W568-H572 AromaticContact CZ2-NE2 3.53Å; W568-H572 AromaticContact CZ3-CE1 3.76Å; W568-H572 PolarHBondContact O-ND1 3.42Å
569	A	75.5	Confident	75.7	Confident	45 Å²	45	65.7 Å²	65.7	37%	0.372	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-39.4	-179	0	0	0	0	0	111.9	S565 R566 A571 H572 E573	S565-A569 VanDerWaalsContact O-CB 3.31Å; S565-A569 WeakPolarHBondContact O-CB 3.33Å; S565-A569 PolarHBondContact O-N 3.32Å; R566-A569 PolarHBondContact O-N 3.44Å; A569-A571 PolarHBondContact O-N 3.39Å; A569-A571 VanDerWaalsContact O-N 3.11Å; A569-H572 PolarHBondContact O-N 3.29Å; A569-H572 VanDerWaalsContact O-N 3.08Å; A569-E573 WeakPolarHBondContact O-CB 3.3Å; A569-E573 PolarHBondContact O-N 2.84Å
570	K	73.8	Confident	77.4	Confident	78 Å²	78	60.1 Å²	60.1	34%	0.339	31%	0.311	S	S	.	.	H	α-helix	trans	-56.3	-30.2	177.4	-74.8	174	-171.7	173.3	0	113.9	R566 Q567 W568 R704 L705	R566-K570 WeakPolarHBondContact O-CG 3.48Å; R566-K570 PolarHBondContact O-N 3.23Å; R566-K570 VanDerWaalsContact O-N 3.07Å; Q567-K570 PolarHBondContact O-N 3.25Å; W568-K570 VanDerWaalsContact C-N 3.27Å; W568-K570 PolarHBondContact O-N 3.27Å; K570-R704 HydrophobicContact CB-CG 4.26Å; K570-R704 WeakPolarHBondContact O-CB 3.28Å; K570-R704 WeakPolarHBondContact O-CD 3.23Å; K570-L705 HydrophobicContact CB-CD2 4.3Å
571	A	74.3	Confident	79	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.017	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.7	-177.2	0	0	0	0	0	114	W568 A569 L701 I702 L705	W568-A571 PolarHBondContact O-N 3.15Å; W568-A571 VanDerWaalsContact O-N 3.09Å; A569-A571 PolarHBondContact O-N 3.39Å; A569-A571 VanDerWaalsContact O-N 3.11Å; A571-L701 CarbonylContact O-C 3.56Å; A571-L701 VanDerWaalsContact O-C 3.28Å; A571-L701 WeakPolarHBondContact O-CA 3.15Å; A571-I702 HydrophobicContact CB-CD1 4.06Å; A571-I702 PolarHBondContact O-N 3.47Å; A571-L705 HydrophobicContact CB-CD1 3.95Å; A571-L705 HydrophobicContact CB-CG 4.24Å
572	H	78.2	Confident	80.5	Confident	13 Å²	13	59.1 Å²	59.1	6%	0.06	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-11.8	-173.5	-68.8	74	0	0	0	113.3	V369 W568 A569 L574 S597 L701 E807	V369-H572 PolarHBondContact O-NE2 3.14Å; W568-H572 AromaticContact CE2-CE1 3.97Å; W568-H572 AromaticContact CE2-ND1 3.62Å; W568-H572 AromaticContact CH2-CE1 2.92Å; W568-H572 WeakPolarHBondContact CH2-CE1 3.36Å; W568-H572 AromaticContact CH2-ND1 3.43Å; W568-H572 WeakPolarHBondContact CH2-ND1 3.31Å; W568-H572 AromaticContact CH2-NE2 3.52Å; W568-H572 AromaticContact CZ2-CD2 3.9Å; W568-H572 AromaticContact CZ2-CE1 3.15Å; W568-H572 WeakPolarHBondContact CZ2-CE1 3.42Å; W568-H572 AromaticContact CZ2-CG 3.75Å; W568-H572 AromaticContact CZ2-ND1 3.23Å; W568-H572 WeakPolarHBondContact CZ2-ND1 3.36Å; W568-H572 AromaticContact CZ2-NE2 3.53Å; W568-H572 AromaticContact CZ3-CE1 3.76Å; W568-H572 PolarHBondContact O-ND1 3.42Å; A569-H572 PolarHBondContact O-N 3.29Å; A569-H572 VanDerWaalsContact O-N 3.08Å; H572-L574 PolarHBondContact O-N 2.75Å; H572-S597 PolarHBondContact NE2-OG 2.61Å; H572-L701 WeakPolarHBondContact O-CD2 3.39Å; H572-E807 VanDerWaalsContact O-OE2 3.09Å
573	E	81.6	Confident	81.7	Confident	108 Å²	108	61.3 Å²	61.3	51%	0.505	32%	0.32	S	S	.	.			trans	-61.2	113.4	178.2	-166.1	174.5	169.2	0	0	111	A569 L701 R704	A569-E573 WeakPolarHBondContact O-CB 3.3Å; A569-E573 PolarHBondContact O-N 2.84Å; E573-L701 PolarHBondContact O-N 3.11Å; E573-R704 IonicContact OE1-NH1 3.53Å; E573-R704 IonicContact OE2-CZ 2.84Å; E573-R704 IonicContact OE2-NH1 3.29Å; E573-R704 PolarHBondContact OE2-NH1 2.85Å; E573-R704 IonicContact OE2-NH2 2.75Å
574	L	86.8	Confident	82.7	Confident	25 Å²	25	60 Å²	60	13%	0.131	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-79.5	147.5	171.2	-83.3	171.9	0	0	0	111	H572 F592 A594 L600 L701 E807	H572-L574 PolarHBondContact O-N 2.75Å; L574-F592 HydrophobicContact CD2-CB 4.39Å; L574-A594 HydrophobicContact CD1-CB 4.21Å; L574-A594 HydrophobicContact CD2-CB 3.98Å; L574-A594 HydrophobicContact CG-CB 4.31Å; L574-L600 HydrophobicContact CD2-CD1 3.58Å; L574-L701 HydrophobicContact CD2-CD1 4.38Å; L574-L701 HydrophobicContact CD2-CD2 3.87Å; L574-L701 HydrophobicContact CD2-CG 4.31Å; L574-L701 HydrophobicContact CG-CD2 4.07Å; L574-E807 VanDerWaalsContact CD1-C 3.49Å; L574-E807 HydrophobicContact CD1-CB 3.56Å; L574-E807 WeakPolarHBondContact CD1-O 3.11Å
575	P	88.5	Confident	83.6	Confident	18 Å²	18	60.5 Å²	60.5	12%	0.117	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-61.7	145.1	168.8	-15.6	28.8	0	0	0	110.9	F592 I697 P700 T809	P575-F592 HydrophobicContact CB-CD1 4.47Å; P575-F592 HydrophobicContact CB-CD2 3.75Å; P575-F592 HydrophobicContact CB-CE2 3.89Å; P575-F592 HydrophobicContact CB-CG 4.06Å; P575-F592 HydrophobicContact CB-CZ 4.32Å; P575-F592 HydrophobicContact CG-CD1 4.25Å; P575-F592 HydrophobicContact CG-CD2 4.34Å; P575-F592 HydrophobicContact CG-CG 4.13Å; P575-F592 WeakPolarHBondContact O-CD2 3.46Å; P575-I697 HydrophobicContact CB-CB 4.08Å; P575-I697 HydrophobicContact CB-CG2 4.2Å; P575-I697 HydrophobicContact CG-CB 4.06Å; P575-I697 HydrophobicContact CG-CD1 3.83Å; P575-I697 HydrophobicContact CG-CG1 4.43Å; P575-P700 HydrophobicContact CG-CB 4.07Å; P575-T809 WeakPolarHBondContact O-CG2 3.35Å
576	E	87.8	Confident	84.5	Confident	175 Å²	175	58.5 Å²	58.5	82%	0.818	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-66.5	143.9	171.9	-66.7	-176.1	173.3	0	0	110.9	F592	E576-F592 WeakPolarHBondContact O-CE2 3.43Å
577	S	89.4	Confident	85.5	Confident	32 Å²	32	52.3 Å²	52.3	22%	0.224	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.7	145.5	170.2	-74.1	0	0	0	0	111.2	L590 T809 D811	S577-L590 WeakPolarHBondContact CA-O 3.48Å; S577-T809 WeakPolarHBondContact OG-CB 3.11Å; S577-T809 PolarHBondContact OG-OG1 2.77Å; S577-D811 WeakPolarHBondContact CB-OD2 3.37Å; S577-D811 PolarHBondContact OG-OD2 3.09Å
578	M	89.9	Confident	86.5	Confident	50 Å²	50	50 Å²	50	25%	0.246	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.2	-177.6	57.8	-167.9	-75.1	0	0	112.1	L580 K589 L590 F592 V695	M578-L580 HydrophobicContact CE-CD1 4.35Å; M578-L580 HydrophobicContact CE-CD2 3.48Å; M578-L580 VanDerWaalsContact CE-CD2 3.48Å; M578-L580 HydrophobicContact CE-CG 4.07Å; M578-K589 WeakPolarHBondContact O-CA 3.46Å; M578-L590 HydrophobicContact CE-CD2 4.26Å; M578-L590 HydrophobicContact CG-CB 3.69Å; M578-L590 HydrophobicContact CG-CD2 3.72Å; M578-L590 HydrophobicContact CG-CG 4.02Å; M578-L590 PolarHBondContact N-O 3.45Å; M578-L590 PolarHBondContact O-N 3.47Å; M578-L590 HydrophobicContact SD-CD2 3.57Å; M578-L590 VanDerWaalsContact SD-CD2 3.57Å; M578-L590 HydrophobicContact SD-CG 4.42Å; M578-F592 HydrophobicContact CG-CE2 4.45Å; M578-F592 HydrophobicContact SD-CE2 4.45Å; M578-F592 HydrophobicContact SD-CZ 4.34Å; M578-V695 HydrophobicContact CE-CB 4.17Å; M578-V695 HydrophobicContact CE-CG1 3.54Å; M578-V695 HydrophobicContact CE-CG2 3.61Å; M578-V695 HydrophobicContact SD-CG1 3.51Å; M578-V695 VanDerWaalsContact SD-CG1 3.51Å; M578-V695 HydrophobicContact SD-CG2 4.49Å
579	S	91.4	Very high	87.1	Confident	65 Å²	65	49.1 Å²	49.1	46%	0.455	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.1	174.9	-69.1	0	0	0	0	110	I588	S579-I588 CarbonylContact C-O 3.56Å
580	L	92.9	Very high	88	Confident	19 Å²	19	47 Å²	47	10%	0.099	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113	-177.6	-65.3	177.5	0	0	0	110.4	M578 F582 Q587 I588 L590 V674 K693 V695	M578-L580 HydrophobicContact CE-CD1 4.35Å; M578-L580 HydrophobicContact CE-CD2 3.48Å; M578-L580 VanDerWaalsContact CE-CD2 3.48Å; M578-L580 HydrophobicContact CE-CG 4.07Å; L580-F582 HydrophobicContact CB-CD2 4.48Å; L580-F582 HydrophobicContact CB-CE2 3.83Å; L580-Q587 WeakPolarHBondContact O-CA 3.45Å; L580-I588 HydrophobicContact CB-CB 4.47Å; L580-I588 PolarHBondContact N-O 2.94Å; L580-I588 PolarHBondContact O-N 2.91Å; L580-L590 HydrophobicContact CD1-CD2 4.5Å; L580-V674 HydrophobicContact CD1-CB 3.89Å; L580-V674 HydrophobicContact CD1-CG1 4.06Å; L580-V674 HydrophobicContact CD1-CG2 3.64Å; L580-K693 HydrophobicContact CD2-CD 4.37Å; L580-V695 HydrophobicContact CD1-CG2 3.96Å; L580-V695 HydrophobicContact CD2-CG2 4.44Å
581	N	93.6	Very high	88.8	Confident	96 Å²	96	43.2 Å²	43.2	51%	0.513	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.5	173.1	-61.5	-40.6	0	0	0	110.2	Q587 K693	N581-Q587 WeakPolarHBondContact OD1-CG 3.47Å; N581-Q587 PolarHBondContact OD1-NE2 3.07Å; N581-K693 WeakPolarHBondContact O-CE 3.44Å; N581-K693 PolarHBondContact O-NZ 2.89Å
582	F	93	Very high	89.7	Confident	9 Å²	9	43.1 Å²	43.1	4%	0.039	24%	0.237	C	C	.	.			trans	-102.3	152.9	177	-74.6	-100.2	0	0	0	111.1	L580 C584 G585 A586 I588 V674 L676 W691 K693	L580-F582 HydrophobicContact CB-CD2 4.48Å; L580-F582 HydrophobicContact CB-CE2 3.83Å; F582-C584 PolarHBondContact O-N 3.38Å; F582-C584 VanDerWaalsContact O-N 3.14Å; F582-G585 PolarHBondContact O-N 2.9Å; F582-A586 PolarHBondContact N-O 3.08Å; F582-I588 HydrophobicContact CD2-CD1 3.76Å; F582-I588 HydrophobicContact CD2-CG1 4.29Å; F582-I588 HydrophobicContact CE2-CB 4.3Å; F582-I588 HydrophobicContact CE2-CD1 3.2Å; F582-I588 HydrophobicContact CE2-CG1 3.99Å; F582-I588 HydrophobicContact CZ-CD1 3.76Å; F582-V674 HydrophobicContact CZ-CG1 4.18Å; F582-L676 HydrophobicContact CB-CD2 3.97Å; F582-L676 HydrophobicContact CD1-CB 4.07Å; F582-L676 HydrophobicContact CD1-CD2 4.03Å; F582-L676 HydrophobicContact CD2-CD2 4.14Å; F582-L676 HydrophobicContact CE1-CB 3.83Å; F582-L676 HydrophobicContact CG-CB 4.49Å; F582-L676 HydrophobicContact CG-CD2 3.77Å; F582-L676 HydrophobicContact CZ-CB 4.11Å; F582-W691 HydrophobicContact CD1-CB 3.5Å; F582-W691 HydrophobicContact CD1-CG 4.32Å; F582-W691 HydrophobicContact CE1-CB 3.9Å; F582-K693 HydrophobicContact CD1-CG 4.4Å; F582-K693 HydrophobicContact CE1-CB 4.32Å; F582-K693 HydrophobicContact CE1-CD 4.29Å; F582-K693 HydrophobicContact CE1-CG 3.85Å; F582-K693 HydrophobicContact CE2-CD 4.39Å; F582-K693 HydrophobicContact CZ-CB 4.17Å; F582-K693 HydrophobicContact CZ-CD 4.2Å; F582-K693 HydrophobicContact CZ-CG 4.02Å
583	D	88.9	Confident	90.2	Very high	156 Å²	156	42.6 Å²	42.6	83%	0.834	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.8	-176.3	-60.9	-27.2	0	0	0	112.7	G585	D583-G585 PolarHBondContact O-N 2.98Å
584	C	87.2	Confident	90.6	Very high	24 Å²	24	38.3 Å²	38.3	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.3	172.2	65.2	0	0	0	0	114	F582 A586 P610 M613 W691	F582-C584 PolarHBondContact O-N 3.38Å; F582-C584 VanDerWaalsContact O-N 3.14Å; C584-A586 VanDerWaalsContact C-N 3.33Å; C584-P610 WeakPolarHBondContact O-CG 3.44Å; C584-M613 HydrophobicContact CB-CE 4.35Å; C584-W691 HydrophobicContact CB-CD2 4.28Å; C584-W691 HydrophobicContact CB-CH2 3.91Å; C584-W691 HydrophobicContact CB-CZ2 3.47Å; C584-W691 VanDerWaalsContact CB-CZ2 3.47Å; C584-W691 HydrophobicContact CB-CZ3 4.47Å
585	G	88.1	Confident	90.7	Very high	40 Å²	40	37.5 Å²	37.5	41%	0.412	21%	0.213	S	C	.	.	S	Bend	trans	85.1	0.8	-178.9	0	0	0	0	0	114.9	F582 D583	F582-G585 PolarHBondContact O-N 2.9Å; D583-G585 PolarHBondContact O-N 2.98Å
586	A	91.1	Very high	90.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	21%	0.208	C	C	.	.			trans	-75.9	147.4	173	0	0	0	0	0	111.5	F582 C584 K608 P610 L676	F582-A586 PolarHBondContact N-O 3.08Å; C584-A586 VanDerWaalsContact C-N 3.33Å; A586-K608 CarbonylContact C-O 3.48Å; A586-K608 VanDerWaalsContact CA-O 3.23Å; A586-K608 WeakPolarHBondContact CA-O 3.33Å; A586-P610 HydrophobicContact CB-CG 4.47Å; A586-L676 HydrophobicContact CB-CD2 3.64Å
587	Q	93.1	Very high	91.2	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.7	175.9	-171.8	176.7	30	0	0	110	L580 N581 V607 K608	L580-Q587 WeakPolarHBondContact O-CA 3.45Å; N581-Q587 WeakPolarHBondContact OD1-CG 3.47Å; N581-Q587 PolarHBondContact OD1-NE2 3.07Å; Q587-V607 HydrophobicContact CB-CB 4.44Å; Q587-V607 HydrophobicContact CG-CB 4.37Å; Q587-V607 PolarHBondContact O-N 3.29Å; Q587-K608 HydrophobicContact CB-CB 3.71Å; Q587-K608 PolarHBondContact N-O 3.35Å; Q587-K608 PolarHBondContact O-N 3.46Å; Q587-K608 VanDerWaalsContact O-N 3.13Å
588	I	93.1	Very high	91.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.9	-179.4	-59.1	164.1	0	0	0	108.3	S579 L580 F582 T604 H605 I606 A618 V674 L676	S579-I588 CarbonylContact C-O 3.56Å; L580-I588 HydrophobicContact CB-CB 4.47Å; L580-I588 PolarHBondContact N-O 2.94Å; L580-I588 PolarHBondContact O-N 2.91Å; F582-I588 HydrophobicContact CD2-CD1 3.76Å; F582-I588 HydrophobicContact CD2-CG1 4.29Å; F582-I588 HydrophobicContact CE2-CB 4.3Å; F582-I588 HydrophobicContact CE2-CD1 3.2Å; F582-I588 HydrophobicContact CE2-CG1 3.99Å; F582-I588 HydrophobicContact CZ-CD1 3.76Å; I588-T604 HydrophobicContact CG2-CG2 4.48Å; I588-H605 CarbonylContact C-O 3.54Å; I588-H605 WeakPolarHBondContact CA-O 3.27Å; I588-I606 HydrophobicContact CG1-CG1 4.45Å; I588-A618 HydrophobicContact CD1-CB 3.56Å; I588-A618 HydrophobicContact CG1-CB 4.05Å; I588-A618 HydrophobicContact CG2-CB 4.01Å; I588-V674 HydrophobicContact CD1-CG1 4.28Å; I588-L676 HydrophobicContact CD1-CB 3.99Å; I588-L676 HydrophobicContact CD1-CD1 3.68Å; I588-L676 HydrophobicContact CD1-CD2 4.3Å; I588-L676 HydrophobicContact CD1-CG 4.19Å; I588-L676 HydrophobicContact CG1-CD1 4.45Å
589	K	91.4	Very high	91.5	Very high	23 Å²	23	24.9 Å²	24.9	10%	0.1	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.1	170	-169.8	165.5	-171.7	170.2	0	108.5	M578 T604 H605 V607 D811 E814 L815	M578-K589 WeakPolarHBondContact O-CA 3.46Å; K589-T604 WeakPolarHBondContact O-CA 3.31Å; K589-H605 PolarHBondContact N-O 3.45Å; K589-H605 PolarHBondContact O-N 3.03Å; K589-V607 HydrophobicContact CB-CG2 3.47Å; K589-V607 VanDerWaalsContact CB-CG2 3.47Å; K589-V607 HydrophobicContact CD-CG2 4.42Å; K589-D811 WeakPolarHBondContact CE-OD1 3.32Å; K589-D811 WeakPolarHBondContact CE-OD2 3.42Å; K589-D811 IonicContact NZ-OD1 3.58Å; K589-D811 PolarHBondContact NZ-OD1 2.88Å; K589-D811 IonicContact NZ-OD2 2.75Å; K589-D811 PolarHBondContact NZ-OD2 2.76Å; K589-E814 IonicContact NZ-OE2 3.14Å; K589-L815 HydrophobicContact CD-CD1 4.5Å; K589-L815 HydrophobicContact CD-CD2 4.26Å
590	L	93.6	Very high	91.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.6	179.2	176.6	68.6	0	0	0	106.8	S577 M578 L580 F592 I602 Y603 T604 V620 F672 V674 V695	S577-L590 WeakPolarHBondContact CA-O 3.48Å; M578-L590 HydrophobicContact CE-CD2 4.26Å; M578-L590 HydrophobicContact CG-CB 3.69Å; M578-L590 HydrophobicContact CG-CD2 3.72Å; M578-L590 HydrophobicContact CG-CG 4.02Å; M578-L590 PolarHBondContact N-O 3.45Å; M578-L590 PolarHBondContact O-N 3.47Å; M578-L590 HydrophobicContact SD-CD2 3.57Å; M578-L590 VanDerWaalsContact SD-CD2 3.57Å; M578-L590 HydrophobicContact SD-CG 4.42Å; L580-L590 HydrophobicContact CD1-CD2 4.5Å; L590-F592 HydrophobicContact CD2-CZ 3.96Å; L590-F592 HydrophobicContact CG-CE1 4.44Å; L590-F592 HydrophobicContact CG-CE2 4.37Å; L590-F592 HydrophobicContact CG-CZ 3.87Å; L590-I602 HydrophobicContact CD1-CG2 3.37Å; L590-I602 HydrophobicContact CG-CG2 4.49Å; L590-Y603 WeakPolarHBondContact CA-O 3.37Å; L590-T604 HydrophobicContact CD1-CG2 3.56Å; L590-V620 HydrophobicContact CD1-CG1 4.46Å; L590-F672 HydrophobicContact CD1-CE2 4.42Å; L590-F672 HydrophobicContact CD2-CE2 3.93Å; L590-F672 HydrophobicContact CD2-CZ 3.8Å; L590-V674 HydrophobicContact CD2-CG2 4.17Å; L590-V695 HydrophobicContact CD2-CG1 4.05Å; L590-V695 HydrophobicContact CD2-CG2 4.27Å
591	G	91.3	Very high	91.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	164.8	-177.6	0	0	0	0	0	112.5	Y603	G591-Y603 VanDerWaalsContact C-CE1 3.41Å; G591-Y603 PolarHBondContact N-O 3.14Å; G591-Y603 PolarHBondContact O-N 3.01Å
592	F	92.4	Very high	91.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.4	-170.3	-56.4	-78.6	0	0	0	110.9	L574 P575 E576 M578 L590 L600 V601 I602 F672 I697 T809	L574-F592 HydrophobicContact CD2-CB 4.39Å; P575-F592 HydrophobicContact CB-CD1 4.47Å; P575-F592 HydrophobicContact CB-CD2 3.75Å; P575-F592 HydrophobicContact CB-CE2 3.89Å; P575-F592 HydrophobicContact CB-CG 4.06Å; P575-F592 HydrophobicContact CB-CZ 4.32Å; P575-F592 HydrophobicContact CG-CD1 4.25Å; P575-F592 HydrophobicContact CG-CD2 4.34Å; P575-F592 HydrophobicContact CG-CG 4.13Å; P575-F592 WeakPolarHBondContact O-CD2 3.46Å; E576-F592 WeakPolarHBondContact O-CE2 3.43Å; M578-F592 HydrophobicContact CG-CE2 4.45Å; M578-F592 HydrophobicContact SD-CE2 4.45Å; M578-F592 HydrophobicContact SD-CZ 4.34Å; L590-F592 HydrophobicContact CD2-CZ 3.96Å; L590-F592 HydrophobicContact CG-CE1 4.44Å; L590-F592 HydrophobicContact CG-CE2 4.37Å; L590-F592 HydrophobicContact CG-CZ 3.87Å; F592-L600 HydrophobicContact CB-CD1 4.21Å; F592-L600 HydrophobicContact CD1-CD1 4.41Å; F592-L600 HydrophobicContact CD1-CD2 4.31Å; F592-V601 WeakPolarHBondContact CA-O 3.42Å; F592-I602 HydrophobicContact CD1-CG1 4.04Å; F592-I602 HydrophobicContact CE1-CD1 4.32Å; F592-I602 HydrophobicContact CE1-CG1 4.05Å; F592-I602 HydrophobicContact CE1-CG2 4.43Å; F592-F672 HydrophobicContact CE1-CZ 4.37Å; F592-I697 HydrophobicContact CD1-CD1 4.37Å; F592-I697 HydrophobicContact CE1-CD1 3.81Å; F592-I697 HydrophobicContact CE1-CG2 4.25Å; F592-I697 HydrophobicContact CE2-CG2 4.42Å; F592-I697 HydrophobicContact CZ-CD1 4.38Å; F592-I697 HydrophobicContact CZ-CG2 3.73Å; F592-T809 HydrophobicContact CB-CG2 4.34Å; F592-T809 PolarHBondContact O-N 3.28Å; F592-T809 PolarHBondContact O-OG1 3.28Å
593	A	90	Very high	91.7	Very high	2 Å²	2	16 Å²	16	2%	0.017	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.3	172.5	0	0	0	0	0	110.7	V601 L647 L651 A808	A593-V601 HydrophobicContact CB-CB 4.29Å; A593-V601 PolarHBondContact N-O 2.98Å; A593-V601 PolarHBondContact O-N 2.95Å; A593-L647 HydrophobicContact CB-CD1 4.37Å; A593-L651 HydrophobicContact CB-CD2 3.75Å; A593-A808 HydrophobicContact CB-CB 4.26Å
594	A	89.9	Confident	91.9	Very high	18 Å²	18	9 Å²	9	15%	0.149	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.1	176.5	0	0	0	0	0	111.1	L574 L701 E807	L574-A594 HydrophobicContact CD1-CB 4.21Å; L574-A594 HydrophobicContact CD2-CB 3.98Å; L574-A594 HydrophobicContact CG-CB 4.31Å; A594-L701 HydrophobicContact CB-CD1 3.93Å; A594-L701 HydrophobicContact CB-CD2 4.17Å; A594-E807 PolarHBondContact N-O 3.1Å
595	E	89.1	Confident	92.1	Very high	7 Å²	7	10 Å²	10	3%	0.033	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-43.9	169.7	-164.2	-179.1	-151.6	0	0	110.4	V599 L646 L647 R659	E595-V599 HydrophobicContact CB-CB 4.2Å; E595-V599 HydrophobicContact CB-CG1 3.96Å; E595-V599 PolarHBondContact N-O 3.18Å; E595-L646 HydrophobicContact CG-CB 4.48Å; E595-L646 HydrophobicContact CG-CD1 4.39Å; E595-L647 HydrophobicContact CB-CD1 3.82Å; E595-L647 HydrophobicContact CB-CG 4.4Å; E595-L647 HydrophobicContact CG-CD1 4.15Å; E595-L647 HydrophobicContact CG-CG 4.19Å; E595-R659 IonicContact OE2-CZ 2.63Å; E595-R659 VanDerWaalsContact OE2-CZ 3.31Å; E595-R659 IonicContact OE2-NE 2.77Å; E595-R659 PolarHBondContact OE2-NE 2.83Å; E595-R659 IonicContact OE2-NH2 3.75Å; E595-R659 PolarHBondContact OE2-NH2 3.03Å
596	F	92.1	Very high	92.2	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.018	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	167.2	174.5	-60.4	-86.5	0	0	0	108.9	M352 V355 L373 N598 V599 L646	M352-F596 HydrophobicContact CG-CE2 4.05Å; M352-F596 HydrophobicContact CG-CZ 3.84Å; M352-F596 WeakPolarHBondContact O-CZ 3.4Å; V355-F596 HydrophobicContact CB-CE1 4.12Å; V355-F596 HydrophobicContact CG1-CD1 3.94Å; V355-F596 HydrophobicContact CG1-CE1 3.74Å; L373-F596 HydrophobicContact CD1-CD1 4.34Å; L373-F596 HydrophobicContact CD1-CD2 3.53Å; L373-F596 HydrophobicContact CD1-CE1 4.2Å; L373-F596 HydrophobicContact CD1-CE2 3.36Å; L373-F596 HydrophobicContact CD1-CG 4.04Å; L373-F596 HydrophobicContact CD1-CZ 3.73Å; L373-F596 HydrophobicContact CD2-CD1 4.31Å; L373-F596 HydrophobicContact CD2-CE1 4.12Å; L373-F596 HydrophobicContact CD2-CZ 4.32Å; L373-F596 HydrophobicContact CG-CD1 4.06Å; L373-F596 HydrophobicContact CG-CD2 3.99Å; L373-F596 HydrophobicContact CG-CE1 4.19Å; L373-F596 HydrophobicContact CG-CE2 4.12Å; L373-F596 HydrophobicContact CG-CG 3.97Å; L373-F596 HydrophobicContact CG-CZ 4.23Å; F596-N598 PolarHBondContact O-N 3.44Å; F596-V599 HydrophobicContact CB-CB 4.07Å; F596-V599 HydrophobicContact CB-CG2 4.01Å; F596-V599 HydrophobicContact CD2-CB 4.03Å; F596-V599 HydrophobicContact CD2-CG2 3.86Å; F596-V599 HydrophobicContact CG-CG2 4.36Å; F596-V599 PolarHBondContact N-O 2.83Å; F596-V599 PolarHBondContact O-N 3.44Å; F596-V599 VanDerWaalsContact O-O 3.06Å; F596-L646 HydrophobicContact CE2-CD1 4.07Å; F596-L646 HydrophobicContact CZ-CD1 3.77Å
597	S	93.2	Very high	92.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.014	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.7	177.4	-49.6	0	0	0	0	112.5	S371 H572 L701 I702	S371-S597 PolarHBondContact N-OG 3.5Å; S371-S597 VanDerWaalsContact N-OG 3.08Å; S371-S597 VanDerWaalsContact O-CB 3.23Å; S371-S597 WeakPolarHBondContact O-CB 3.41Å; S371-S597 PolarHBondContact O-N 2.93Å; S371-S597 PolarHBondContact O-OG 3.15Å; H572-S597 PolarHBondContact NE2-OG 2.61Å; S597-L701 WeakPolarHBondContact O-CB 3.47Å; S597-I702 VanDerWaalsContact O-CB 3.22Å; S597-I702 WeakPolarHBondContact O-CB 3.36Å; S597-I702 WeakPolarHBondContact O-CG2 3.49Å; S597-I702 PolarHBondContact O-N 3.48Å
598	N	93.9	Very high	92	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.011	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	15.1	174.6	74.9	-36.4	0	0	0	115.4	L372 L373 F596 S662 L663 Q664 I702	L372-N598 WeakPolarHBondContact CA-OD1 3.24Å; L372-N598 HydrophobicContact CD2-CB 3.74Å; L373-N598 PolarHBondContact N-ND2 3.15Å; L373-N598 PolarHBondContact N-OD1 2.89Å; L373-N598 PolarHBondContact O-ND2 3.23Å; F596-N598 PolarHBondContact O-N 3.44Å; N598-S662 PolarHBondContact O-N 3.08Å; N598-L663 HydrophobicContact CB-CB 4.5Å; N598-L663 WeakPolarHBondContact O-CG 3.45Å; N598-L663 PolarHBondContact O-N 3.36Å; N598-L663 VanDerWaalsContact O-N 3.13Å; N598-Q664 VanDerWaalsContact CB-OE1 3.29Å; N598-Q664 PolarHBondContact ND2-OE1 2.84Å; N598-I702 HydrophobicContact CB-CG2 3.64Å
599	V	93.2	Very high	91.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.1	179.1	-176.5	0	0	0	0	110.3	E595 F596 R659 L660	E595-V599 HydrophobicContact CB-CB 4.2Å; E595-V599 HydrophobicContact CB-CG1 3.96Å; E595-V599 PolarHBondContact N-O 3.18Å; F596-V599 HydrophobicContact CB-CB 4.07Å; F596-V599 HydrophobicContact CB-CG2 4.01Å; F596-V599 HydrophobicContact CD2-CB 4.03Å; F596-V599 HydrophobicContact CD2-CG2 3.86Å; F596-V599 HydrophobicContact CG-CG2 4.36Å; F596-V599 PolarHBondContact N-O 2.83Å; F596-V599 PolarHBondContact O-N 3.44Å; F596-V599 VanDerWaalsContact O-O 3.06Å; V599-R659 HydrophobicContact CG1-CG 4.06Å; V599-L660 CarbonylContact C-O 3.56Å; V599-L660 WeakPolarHBondContact CA-O 3.38Å
600	L	93.3	Very high	91.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.2	179.3	178.8	71.9	0	0	0	109.9	L574 F592 I602 L660 L663 L670 I697 P700 L701	L574-L600 HydrophobicContact CD2-CD1 3.58Å; F592-L600 HydrophobicContact CB-CD1 4.21Å; F592-L600 HydrophobicContact CD1-CD1 4.41Å; F592-L600 HydrophobicContact CD1-CD2 4.31Å; L600-I602 HydrophobicContact CD2-CG1 4.26Å; L600-I602 HydrophobicContact CG-CG1 4.39Å; L600-L660 HydrophobicContact CB-CB 4.42Å; L600-L660 HydrophobicContact CD2-CD1 4.45Å; L600-L660 PolarHBondContact N-O 3.42Å; L600-L660 WeakPolarHBondContact O-CA 3.18Å; L600-L660 PolarHBondContact O-N 2.64Å; L600-L663 HydrophobicContact CB-CD1 3.72Å; L600-L663 HydrophobicContact CB-CD2 4.39Å; L600-L670 HydrophobicContact CD2-CD2 4.31Å; L600-I697 HydrophobicContact CD2-CD1 3.95Å; L600-P700 HydrophobicContact CD2-CB 4.25Å; L600-P700 HydrophobicContact CD2-CG 4.11Å; L600-L701 HydrophobicContact CB-CD1 4.29Å; L600-L701 HydrophobicContact CD1-CD1 4.28Å
601	V	93.3	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.7	170.5	177.1	0	0	0	0	108.4	F592 A593 I644 L647 L651	F592-V601 WeakPolarHBondContact CA-O 3.42Å; A593-V601 HydrophobicContact CB-CB 4.29Å; A593-V601 PolarHBondContact N-O 2.98Å; A593-V601 PolarHBondContact O-N 2.95Å; V601-I644 HydrophobicContact CB-CD1 4.1Å; V601-I644 HydrophobicContact CG1-CD1 3.46Å; V601-I644 VanDerWaalsContact CG1-CD1 3.46Å; V601-I644 HydrophobicContact CG2-CD1 3.5Å; V601-I644 VanDerWaalsContact CG2-CD1 3.5Å; V601-I644 HydrophobicContact CG2-CG1 3.9Å; V601-I644 HydrophobicContact CG2-CG2 4.45Å; V601-L647 HydrophobicContact CG2-CD1 4.17Å; V601-L651 HydrophobicContact CG1-CD1 4.08Å; V601-L651 HydrophobicContact CG1-CD2 4.31Å
602	I	94.3	Very high	91.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.9	172.1	-59.9	-178	0	0	0	107.9	L590 F592 L600 V620 F623 Y657 T658 L660 F672	L590-I602 HydrophobicContact CD1-CG2 3.37Å; L590-I602 HydrophobicContact CG-CG2 4.49Å; F592-I602 HydrophobicContact CD1-CG1 4.04Å; F592-I602 HydrophobicContact CE1-CD1 4.32Å; F592-I602 HydrophobicContact CE1-CG1 4.05Å; F592-I602 HydrophobicContact CE1-CG2 4.43Å; L600-I602 HydrophobicContact CD2-CG1 4.26Å; L600-I602 HydrophobicContact CG-CG1 4.39Å; I602-V620 HydrophobicContact CG2-CG1 4.31Å; I602-F623 HydrophobicContact CD1-CE1 3.79Å; I602-F623 HydrophobicContact CD1-CZ 3.96Å; I602-Y657 CarbonylContact O-C 3.32Å; I602-Y657 WeakPolarHBondContact O-CA 3.4Å; I602-T658 PolarHBondContact N-O 3.02Å; I602-T658 PolarHBondContact O-N 3.27Å; I602-L660 HydrophobicContact CD1-CD1 3.5Å; I602-L660 VanDerWaalsContact CD1-CD1 3.5Å; I602-L660 HydrophobicContact CD1-CG 4.23Å; I602-L660 HydrophobicContact CG1-CD1 4.19Å; I602-F672 HydrophobicContact CD1-CE1 3.96Å; I602-F672 HydrophobicContact CD1-CE2 4.4Å; I602-F672 HydrophobicContact CD1-CZ 3.87Å
603	Y	93.3	Very high	90.8	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.8	172.8	60.4	-91.8	0	0	0	112.5	L590 G591 L651 P652 C655 L656 T809	L590-Y603 WeakPolarHBondContact CA-O 3.37Å; G591-Y603 VanDerWaalsContact C-CE1 3.41Å; G591-Y603 PolarHBondContact N-O 3.14Å; G591-Y603 PolarHBondContact O-N 3.01Å; Y603-L651 HydrophobicContact CD1-CD2 4.02Å; Y603-L651 HydrophobicContact CE1-CD2 4.12Å; Y603-P652 HydrophobicContact CD2-CG 4.32Å; Y603-P652 HydrophobicContact CE2-CG 3.72Å; Y603-C655 HydrophobicContact CD2-CB 4.49Å; Y603-L656 CarbonylContact C-O 3.01Å; Y603-L656 VanDerWaalsContact CA-O 3.23Å; Y603-L656 WeakPolarHBondContact CA-O 3.32Å; Y603-T809 PolarHBondContact OH-OG1 3.48Å
604	T	93.1	Very high	90.6	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.1	179	51.2	0	0	0	0	111.5	I588 K589 L590 V620 C655 L656	I588-T604 HydrophobicContact CG2-CG2 4.48Å; K589-T604 WeakPolarHBondContact O-CA 3.31Å; L590-T604 HydrophobicContact CD1-CG2 3.56Å; T604-V620 HydrophobicContact CG2-CG1 3.99Å; T604-C655 VanDerWaalsContact O-CA 3.31Å; T604-C655 WeakPolarHBondContact O-CA 3.4Å; T604-C655 WeakPolarHBondContact O-CB 3.02Å; T604-L656 PolarHBondContact N-O 3.43Å; T604-L656 PolarHBondContact O-N 3.24Å
605	H	90.8	Very high	90.4	Very high	47 Å²	47	42.6 Å²	42.6	22%	0.218	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.6	177.4	179.8	-96.5	0	0	0	110.6	I588 K589 V607	I588-H605 CarbonylContact C-O 3.54Å; I588-H605 WeakPolarHBondContact CA-O 3.27Å; K589-H605 PolarHBondContact N-O 3.45Å; K589-H605 PolarHBondContact O-N 3.03Å; H605-V607 PolarHBondContact O-N 3.4Å
606	I	90.9	Very high	90.3	Very high	51 Å²	51	43.3 Å²	43.3	26%	0.262	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108.9	175.4	-60.6	166.6	0	0	0	108.2	I588 K609 C616 A618	I588-I606 HydrophobicContact CG1-CG1 4.45Å; I606-K609 HydrophobicContact CG2-CB 4.37Å; I606-C616 HydrophobicContact CD1-CB 4.23Å; I606-C616 VanDerWaalsContact CD1-O 3.28Å; I606-C616 WeakPolarHBondContact CD1-O 3.39Å; I606-A618 HydrophobicContact CG1-CB 4.22Å
607	V	89.6	Confident	90.2	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.418	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-41.4	179.9	178.9	0	0	0	0	111.2	Q587 K589 H605	Q587-V607 HydrophobicContact CB-CB 4.44Å; Q587-V607 HydrophobicContact CG-CB 4.37Å; Q587-V607 PolarHBondContact O-N 3.29Å; K589-V607 HydrophobicContact CB-CG2 3.47Å; K589-V607 VanDerWaalsContact CB-CG2 3.47Å; K589-V607 HydrophobicContact CD-CG2 4.42Å; H605-V607 PolarHBondContact O-N 3.4Å
608	K	90.3	Very high	90.1	Very high	124 Å²	124	46.5 Å²	46.5	54%	0.539	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.3	-178.7	-170.7	-179	177.7	-178.2	0	109.9	A586 Q587	A586-K608 CarbonylContact C-O 3.48Å; A586-K608 VanDerWaalsContact CA-O 3.23Å; A586-K608 WeakPolarHBondContact CA-O 3.33Å; Q587-K608 HydrophobicContact CB-CB 3.71Å; Q587-K608 PolarHBondContact N-O 3.35Å; Q587-K608 PolarHBondContact O-N 3.46Å; Q587-K608 VanDerWaalsContact O-N 3.13Å
609	K	91.3	Very high	90.1	Very high	97 Å²	97	48.7 Å²	48.7	42%	0.422	24%	0.244	S	C	.	.			trans	-113	132.5	171	-172	-172.3	66.8	65.7	0	109.1	I606 M613 C616	I606-K609 HydrophobicContact CG2-CB 4.37Å; K609-M613 HydrophobicContact CG-CB 4.34Å; K609-M613 HydrophobicContact CG-CG 4.45Å; K609-M613 HydrophobicContact CG-SD 4.25Å; K609-M613 PolarHBondContact NZ-O 2.88Å; K609-C616 HydrophobicContact CD-CB 3.72Å; K609-C616 HydrophobicContact CG-CB 3.79Å
610	P	89.2	Confident	90.2	Very high	16 Å²	16	48.6 Å²	48.6	10%	0.104	24%	0.244	C	C	.	.			trans	-56.1	147.9	170.7	-23.5	33.9	0	0	0	112.4	C584 A586 D612 M613	C584-P610 WeakPolarHBondContact O-CG 3.44Å; A586-P610 HydrophobicContact CB-CG 4.47Å; P610-D612 WeakPolarHBondContact CB-OD1 3.25Å; P610-M613 HydrophobicContact CB-CB 4.12Å; P610-M613 HydrophobicContact CG-CE 4.43Å; P610-M613 PolarHBondContact O-N 3.47Å
611	E	84	Confident	90.2	Very high	199 Å²	199	50.8 Å²	50.8	93%	0.93	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.4	-176.9	-69	-173.8	176.5	0	0	112.7	M613	E611-M613 VanDerWaalsContact C-N 3.3Å
612	D	86	Confident	90	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.2	179.2	59	-27.1	0	0	0	113.9	P610 F680 A681	P610-D612 WeakPolarHBondContact CB-OD1 3.25Å; D612-F680 HydrophobicContact CB-CD1 4.22Å; D612-F680 WeakPolarHBondContact O-CA 3.46Å; D612-F680 WeakPolarHBondContact OD2-CD1 3.34Å; D612-F680 WeakPolarHBondContact OD2-CE1 3.33Å; D612-A681 PolarHBondContact O-N 3.13Å
613	M	86.4	Confident	89.8	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.9	179.5	-174.1	175.3	-80.9	0	0	110.7	C584 K609 P610 E611 F615 C616 T679 F680 W691	C584-M613 HydrophobicContact CB-CE 4.35Å; K609-M613 HydrophobicContact CG-CB 4.34Å; K609-M613 HydrophobicContact CG-CG 4.45Å; K609-M613 HydrophobicContact CG-SD 4.25Å; K609-M613 PolarHBondContact NZ-O 2.88Å; P610-M613 HydrophobicContact CB-CB 4.12Å; P610-M613 HydrophobicContact CG-CE 4.43Å; P610-M613 PolarHBondContact O-N 3.47Å; E611-M613 VanDerWaalsContact C-N 3.3Å; M613-F615 WeakPolarHBondContact CG-O 3.48Å; M613-C616 HydrophobicContact CG-CB 4.29Å; M613-C616 HydrophobicContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-SG 3.62Å; M613-T679 CarbonylContact C-O 3.5Å; M613-T679 WeakPolarHBondContact CA-O 3.23Å; M613-T679 WeakPolarHBondContact CG-O 3.43Å; M613-F680 HydrophobicContact CB-CD1 4.24Å; M613-F680 HydrophobicContact CB-CE1 4.16Å; M613-F680 HydrophobicContact CE-CE1 4.05Å; M613-F680 HydrophobicContact CE-CE2 4.11Å; M613-F680 HydrophobicContact CE-CZ 3.62Å; M613-W691 HydrophobicContact CE-CH2 3.85Å; M613-W691 HydrophobicContact CE-CZ3 3.96Å
614	S	84.4	Confident	89.4	Confident	76 Å²	76	58.5 Å²	58.5	53%	0.531	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-34.7	-178.6	52	0	0	0	0	112.9	T679	S614-T679 PolarHBondContact N-O 3Å; S614-T679 PolarHBondContact OG-O 3.35Å; S614-T679 PolarHBondContact OG-OG1 3.37Å; S614-T679 VanDerWaalsContact OG-OG1 3.12Å
615	F	87.1	Confident	88.9	Confident	89 Å²	89	66.2 Å²	66.2	39%	0.39	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.6	176.5	175.3	-99	0	0	0	110.5	M613 Q617 Q677 G678 T679	M613-F615 WeakPolarHBondContact CG-O 3.48Å; F615-Q617 HydrophobicContact CE1-CB 3.91Å; F615-Q617 HydrophobicContact CE2-CB 4.5Å; F615-Q617 HydrophobicContact CZ-CB 3.67Å; F615-Q677 HydrophobicContact CE1-CG 4.25Å; F615-G678 WeakPolarHBondContact O-CA 3.14Å; F615-T679 WeakPolarHBondContact CB-OG1 3.27Å; F615-T679 PolarHBondContact N-O 3.3Å; F615-T679 PolarHBondContact O-N 3.36Å; F615-T679 VanDerWaalsContact O-N 3.09Å
616	C	87.6	Confident	88.5	Confident	21 Å²	21	66.7 Å²	66.7	14%	0.142	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	122.6	178.3	-169.8	0	0	0	0	109.6	I606 K609 M613 L676 Q677	I606-C616 HydrophobicContact CD1-CB 4.23Å; I606-C616 VanDerWaalsContact CD1-O 3.28Å; I606-C616 WeakPolarHBondContact CD1-O 3.39Å; K609-C616 HydrophobicContact CD-CB 3.72Å; K609-C616 HydrophobicContact CG-CB 3.79Å; M613-C616 HydrophobicContact CG-CB 4.29Å; M613-C616 HydrophobicContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-SG 3.62Å; C616-L676 WeakPolarHBondContact SG-CD1 3.45Å; C616-Q677 CarbonylContact C-O 3.55Å; C616-Q677 WeakPolarHBondContact CA-O 3.38Å
617	Q	89.6	Confident	88.2	Confident	70 Å²	70	64.4 Å²	64.4	33%	0.327	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.1	176.4	-169.9	176.1	31.2	0	0	110.1	F615 L656 L676 Q677	F615-Q617 HydrophobicContact CE1-CB 3.91Å; F615-Q617 HydrophobicContact CE2-CB 4.5Å; F615-Q617 HydrophobicContact CZ-CB 3.67Å; Q617-L656 HydrophobicContact CG-CD1 4.16Å; Q617-L676 WeakPolarHBondContact O-CD1 3.32Å; Q617-Q677 PolarHBondContact N-O 2.71Å; Q617-Q677 PolarHBondContact O-N 2.87Å
618	A	91.4	Very high	87.8	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.033	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.2	178	0	0	0	0	0	109.2	I588 I606 L656 C675 L676	I588-A618 HydrophobicContact CD1-CB 3.56Å; I588-A618 HydrophobicContact CG1-CB 4.05Å; I588-A618 HydrophobicContact CG2-CB 4.01Å; I606-A618 HydrophobicContact CG1-CB 4.22Å; A618-L656 WeakPolarHBondContact O-CD1 3.09Å; A618-C675 CarbonylContact C-O 3.59Å; A618-C675 WeakPolarHBondContact CA-O 3.48Å; A618-L676 HydrophobicContact CB-CD1 4.36Å
619	H	92.8	Very high	87.5	Confident	47 Å²	47	63.8 Å²	63.8	22%	0.218	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.8	175	58.5	-89.7	0	0	0	111.2	N635 C675	H619-N635 WeakPolarHBondContact CA-OD1 2.89Å; H619-N635 HydrophobicContact CB-CB 4.1Å; H619-N635 WeakPolarHBondContact CB-OD1 3.49Å; H619-C675 PolarHBondContact CE1-SG 3.07Å; H619-C675 PolarHBondContact N-O 2.94Å; H619-C675 VanDerWaalsContact NE2-CB 3.32Å; H619-C675 WeakPolarHBondContact NE2-CB 3.41Å; H619-C675 PolarHBondContact NE2-SG 2.65Å; H619-C675 PolarHBondContact O-N 3.17Å
620	V	94.5	Very high	87.2	Confident	1 Å²	1	63 Å²	63	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.7	173	-66.1	0	0	0	0	110.7	L590 I602 T604 F623 M634 N635 T658 F672 T673 V674	L590-V620 HydrophobicContact CD1-CG1 4.46Å; I602-V620 HydrophobicContact CG2-CG1 4.31Å; T604-V620 HydrophobicContact CG2-CG1 3.99Å; V620-F623 HydrophobicContact CB-CE2 4.03Å; V620-F623 HydrophobicContact CB-CZ 3.85Å; V620-F623 HydrophobicContact CG2-CE2 3.76Å; V620-F623 HydrophobicContact CG2-CZ 3.73Å; V620-M634 HydrophobicContact CG2-CE 4.47Å; V620-M634 WeakPolarHBondContact O-CE 3.05Å; V620-N635 VanDerWaalsContact CG2-OD1 3.25Å; V620-N635 WeakPolarHBondContact CG2-OD1 3.47Å; V620-N635 PolarHBondContact N-OD1 3.11Å; V620-N635 PolarHBondContact O-ND2 3.08Å; V620-T658 HydrophobicContact CG2-CG2 4.19Å; V620-T658 WeakPolarHBondContact CG2-OG1 3.45Å; V620-F672 HydrophobicContact CB-CD2 4.2Å; V620-F672 HydrophobicContact CB-CE2 4.48Å; V620-F672 HydrophobicContact CG1-CD2 4Å; V620-F672 HydrophobicContact CG1-CE2 3.82Å; V620-T673 CarbonylContact C-O 3.42Å; V620-T673 WeakPolarHBondContact CA-O 3.42Å; V620-V674 HydrophobicContact CG1-CG2 4.2Å
621	T	93.4	Very high	87	Confident	45 Å²	45	67.2 Å²	67.2	28%	0.276	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	177.4	179.7	-174.9	0	0	0	0	110.4	F623 T673 C675	T621-F623 PolarHBondContact O-N 3.33Å; T621-T673 HydrophobicContact CG2-CG2 4.34Å; T621-T673 PolarHBondContact N-O 2.97Å; T621-T673 PolarHBondContact O-N 3.01Å; T621-C675 HydrophobicContact CG2-CB 4.42Å
622	D	90.1	Very high	87.2	Confident	103 Å²	103	64.6 Å²	64.6	55%	0.551	35%	0.348	S	S	*	.			trans	62.9	40.2	171.9	-47.4	-27.3	0	0	0	114.1	T673	D622-T673 VanDerWaalsContact OD2-CB 3.26Å; D622-T673 WeakPolarHBondContact OD2-CB 3.43Å; D622-T673 PolarHBondContact OD2-OG1 3.44Å
623	F	90.6	Very high	87.2	Confident	26 Å²	26	64.5 Å²	64.5	11%	0.114	34%	0.344	C	S	.	.			trans	-68.6	157.8	171.7	-68.8	-73.3	0	0	0	112.1	I602 V620 T621 L625 V629 M634 T658 L660 L670 F672	I602-F623 HydrophobicContact CD1-CE1 3.79Å; I602-F623 HydrophobicContact CD1-CZ 3.96Å; V620-F623 HydrophobicContact CB-CE2 4.03Å; V620-F623 HydrophobicContact CB-CZ 3.85Å; V620-F623 HydrophobicContact CG2-CE2 3.76Å; V620-F623 HydrophobicContact CG2-CZ 3.73Å; T621-F623 PolarHBondContact O-N 3.33Å; F623-L625 PolarHBondContact O-N 3.06Å; F623-V629 HydrophobicContact CB-CG2 4.26Å; F623-M634 HydrophobicContact CD2-CE 3.6Å; F623-M634 HydrophobicContact CD2-SD 4Å; F623-M634 HydrophobicContact CE2-CE 3.45Å; F623-M634 VanDerWaalsContact CE2-CE 3.45Å; F623-M634 HydrophobicContact CE2-SD 4.23Å; F623-T658 HydrophobicContact CE2-CG2 4.02Å; F623-T658 HydrophobicContact CZ-CG2 4.25Å; F623-L660 HydrophobicContact CD1-CD1 4.07Å; F623-L660 HydrophobicContact CD1-CD2 4.1Å; F623-L660 HydrophobicContact CD2-CD2 4.37Å; F623-L660 HydrophobicContact CE1-CD1 3.74Å; F623-L660 HydrophobicContact CE1-CD2 4.04Å; F623-L660 HydrophobicContact CE1-CG 4.45Å; F623-L660 HydrophobicContact CE2-CD2 4.31Å; F623-L660 HydrophobicContact CG-CD2 4.27Å; F623-L660 HydrophobicContact CZ-CD1 4.39Å; F623-L660 HydrophobicContact CZ-CD2 4.15Å; F623-L670 HydrophobicContact CD1-CD1 4.13Å; F623-F672 HydrophobicContact CD1-CB 3.52Å; F623-F672 HydrophobicContact CD1-CD1 4.27Å; F623-F672 HydrophobicContact CD1-CG 4.03Å; F623-F672 HydrophobicContact CE1-CB 3.42Å; F623-F672 VanDerWaalsContact CE1-CB 3.42Å; F623-F672 AromaticContact CE1-CD1 3.69Å; F623-F672 HydrophobicContact CE1-CD1 3.69Å; F623-F672 AromaticContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CE1 4.4Å; F623-F672 AromaticContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CE1-CG 3.43Å; F623-F672 VanDerWaalsContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CG-CB 4.22Å; F623-F672 HydrophobicContact CZ-CB 4.05Å; F623-F672 HydrophobicContact CZ-CD2 4.11Å; F623-F672 HydrophobicContact CZ-CG 4.02Å
624	S	84.6	Confident	87.4	Confident	37 Å²	37	65.3 Å²	65.3	26%	0.259	35%	0.348	S	S	.	.			trans	-56.6	136.2	174.6	-179.6	0	0	0	0	111.7	D626 L627	S624-D626 PolarHBondContact O-N 3.08Å; S624-D626 VanDerWaalsContact O-N 3.13Å; S624-D626 PolarHBondContact OG-N 3.47Å; S624-L627 PolarHBondContact O-N 2.76Å; S624-L627 VanDerWaalsContact O-N 3.13Å
625	L	81.9	Confident	87.8	Confident	169 Å²	169	63.4 Å²	63.4	89%	0.885	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.1	174.4	-65.8	171.7	0	0	0	112.6	F623 L627 D628	F623-L625 PolarHBondContact O-N 3.06Å; L625-L627 PolarHBondContact O-N 3.44Å; L625-D628 PolarHBondContact O-N 3.07Å
626	D	83	Confident	88.1	Confident	57 Å²	57	63.6 Å²	63.6	31%	0.305	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.7	177.7	-68.6	-25.5	0	0	0	113.2	S624	S624-D626 PolarHBondContact O-N 3.08Å; S624-D626 VanDerWaalsContact O-N 3.13Å; S624-D626 PolarHBondContact OG-N 3.47Å
627	L	84.3	Confident	88.2	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.016	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-90.7	-9.5	-175.6	-66.5	179.7	0	0	0	113.9	S624 L625 V629 L663 L666 L670	S624-L627 PolarHBondContact O-N 2.76Å; S624-L627 VanDerWaalsContact O-N 3.13Å; L625-L627 PolarHBondContact O-N 3.44Å; L627-V629 VanDerWaalsContact C-N 3.25Å; L627-V629 HydrophobicContact CB-CG2 3.77Å; L627-V629 PolarHBondContact O-N 3.27Å; L627-L663 HydrophobicContact CD2-CD2 4.34Å; L627-L666 HydrophobicContact CD1-CD1 4.24Å; L627-L666 HydrophobicContact CD2-CB 4.19Å; L627-L666 HydrophobicContact CD2-CD1 4.43Å; L627-L666 HydrophobicContact CG-CD1 4.19Å; L627-L670 HydrophobicContact CD1-CD1 3.73Å
628	D	80.8	Confident	88.2	Confident	150 Å²	150	68.5 Å²	68.5	80%	0.802	36%	0.355	S	S	*	.			trans	44.5	47.2	178.6	-161	28	0	0	0	113.7	L625 D630	L625-D628 PolarHBondContact O-N 3.07Å; D628-D630 PolarHBondContact O-N 2.94Å
629	V	85	Confident	88	Confident	31 Å²	31	68.7 Å²	68.7	19%	0.188	36%	0.356	C	S	.	.			trans	-76.5	119.7	-178	-169.6	0	0	0	0	109.1	F623 L627 P631 M634 L660	F623-V629 HydrophobicContact CB-CG2 4.26Å; L627-V629 VanDerWaalsContact C-N 3.25Å; L627-V629 HydrophobicContact CB-CG2 3.77Å; L627-V629 PolarHBondContact O-N 3.27Å; V629-P631 VanDerWaalsContact O-CD 3.24Å; V629-P631 WeakPolarHBondContact O-CD 3.45Å; V629-M634 HydrophobicContact CB-SD 4.28Å; V629-M634 HydrophobicContact CG1-CG 3.58Å; V629-M634 HydrophobicContact CG1-SD 3.56Å; V629-M634 VanDerWaalsContact CG1-SD 3.56Å; V629-L660 HydrophobicContact CG1-CD2 4.09Å; V629-L660 HydrophobicContact CG2-CD2 3.6Å
630	D	84.8	Confident	87.8	Confident	80 Å²	80	70.1 Å²	70.1	43%	0.428	36%	0.363	S	S	.	.			trans	-69.1	117.6	175.3	-172.3	-16.1	0	0	0	109.8	D628 K632 E633 M634	D628-D630 PolarHBondContact O-N 2.94Å; D630-K632 PolarHBondContact O-N 3.09Å; D630-K632 WeakPolarHBondContact OD1-CB 3.29Å; D630-K632 PolarHBondContact OD1-N 2.95Å; D630-E633 HydrophobicContact CB-CB 4.37Å; D630-E633 HydrophobicContact CB-CG 4.02Å; D630-E633 PolarHBondContact O-N 3.27Å; D630-M634 WeakPolarHBondContact O-CG 2.99Å
631	P	85.7	Confident	87.4	Confident	105 Å²	105	74.3 Å²	74.3	68%	0.682	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-57.2	-22.7	177.5	-24.8	35.5	0	0	0	113.9	V629 E633	V629-P631 VanDerWaalsContact O-CD 3.24Å; V629-P631 WeakPolarHBondContact O-CD 3.45Å; P631-E633 VanDerWaalsContact C-N 3.32Å
632	K	86.7	Confident	86.9	Confident	144 Å²	144	72.5 Å²	72.5	63%	0.626	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-72.8	-24.5	175.3	-64.8	176.9	-178.2	171.9	0	112.6	D630 M634 R636	D630-K632 PolarHBondContact O-N 3.09Å; D630-K632 WeakPolarHBondContact OD1-CB 3.29Å; D630-K632 PolarHBondContact OD1-N 2.95Å; K632-M634 VanDerWaalsContact C-N 3.35Å; K632-R636 PolarHBondContact O-NE 2.93Å; K632-R636 PolarHBondContact O-NH2 2.81Å
633	E	86.3	Confident	86.6	Confident	94 Å²	94	68.3 Å²	68.3	44%	0.439	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-96.8	4.8	-178.1	-58.3	-66	127.9	0	0	111.6	D630 P631 E641 T642	D630-E633 HydrophobicContact CB-CB 4.37Å; D630-E633 HydrophobicContact CB-CG 4.02Å; D630-E633 PolarHBondContact O-N 3.27Å; P631-E633 VanDerWaalsContact C-N 3.32Å; E633-E641 VanDerWaalsContact OE2-O 3.08Å; E633-T642 VanDerWaalsContact O-CG2 3.31Å; E633-T642 WeakPolarHBondContact O-CG2 3.26Å
634	M	91.3	Very high	86.3	Confident	19 Å²	19	67 Å²	67	9%	0.094	35%	0.346	C	S	.	.	S	Bend	trans	-94.3	155.5	179.7	-64.8	174.8	42.2	0	0	112.3	V620 F623 V629 D630 K632 R636 T658	V620-M634 HydrophobicContact CG2-CE 4.47Å; V620-M634 WeakPolarHBondContact O-CE 3.05Å; F623-M634 HydrophobicContact CD2-CE 3.6Å; F623-M634 HydrophobicContact CD2-SD 4Å; F623-M634 HydrophobicContact CE2-CE 3.45Å; F623-M634 VanDerWaalsContact CE2-CE 3.45Å; F623-M634 HydrophobicContact CE2-SD 4.23Å; V629-M634 HydrophobicContact CB-SD 4.28Å; V629-M634 HydrophobicContact CG1-CG 3.58Å; V629-M634 HydrophobicContact CG1-SD 3.56Å; V629-M634 VanDerWaalsContact CG1-SD 3.56Å; D630-M634 WeakPolarHBondContact O-CG 2.99Å; K632-M634 VanDerWaalsContact C-N 3.35Å; M634-R636 VanDerWaalsContact C-N 3.34Å; M634-R636 PolarHBondContact O-N 2.7Å; M634-T658 HydrophobicContact CB-CG2 4.21Å; M634-T658 HydrophobicContact CG-CG2 3.8Å
635	N	92.8	Very high	86.2	Confident	36 Å²	36	69.7 Å²	69.7	19%	0.193	35%	0.351	C	S	.	.	S	Bend	trans	55.7	41.1	171.6	-55.2	-67.6	0	0	0	114.6	H619 V620 L656 Y657 T658	H619-N635 WeakPolarHBondContact CA-OD1 2.89Å; H619-N635 HydrophobicContact CB-CB 4.1Å; H619-N635 WeakPolarHBondContact CB-OD1 3.49Å; V620-N635 VanDerWaalsContact CG2-OD1 3.25Å; V620-N635 WeakPolarHBondContact CG2-OD1 3.47Å; V620-N635 PolarHBondContact N-OD1 3.11Å; V620-N635 PolarHBondContact O-ND2 3.08Å; N635-L656 HydrophobicContact CB-CB 4.43Å; N635-L656 HydrophobicContact CB-CD1 4.12Å; N635-Y657 CarbonylContact C-O 3.53Å; N635-Y657 VanDerWaalsContact CA-O 3.29Å; N635-Y657 WeakPolarHBondContact CA-O 3.5Å; N635-Y657 PolarHBondContact N-O 2.92Å; N635-T658 PolarHBondContact N-OG1 2.86Å
636	R	93.8	Very high	86.3	Confident	93 Å²	93	62.9 Å²	62.9	35%	0.351	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-86.1	149.2	-179.3	-60.3	-73.4	164.3	-172.9	-2	111.5	K632 M634 T638 E641 T642 L656 Y657	K632-R636 PolarHBondContact O-NE 2.93Å; K632-R636 PolarHBondContact O-NH2 2.81Å; M634-R636 VanDerWaalsContact C-N 3.34Å; M634-R636 PolarHBondContact O-N 2.7Å; R636-T638 VanDerWaalsContact C-N 3.31Å; R636-E641 HydrophobicContact CB-CB 3.63Å; R636-E641 WeakPolarHBondContact CD-OE2 3.25Å; R636-E641 HydrophobicContact CG-CB 3.73Å; R636-T642 HydrophobicContact CB-CG2 3.54Å; R636-T642 HydrophobicContact CG-CG2 3.65Å; R636-L656 CarbonylContact O-C 3.53Å; R636-L656 WeakPolarHBondContact O-CA 3.46Å; R636-Y657 PolarHBondContact N-O 2.83Å; R636-Y657 WeakPolarHBondContact O-CD2 3.43Å; R636-Y657 PolarHBondContact O-N 2.81Å
637	E	89.1	Confident	86.2	Confident	142 Å²	142	60.1 Å²	60.1	66%	0.664	30%	0.301	S	S	*	.	S	Bend	trans	-76.7	-21.1	-178.7	-66.3	-174.9	173.5	0	0	112.8	L656 Y657	E637-L656 HydrophobicContact CB-CD2 4.45Å; E637-L656 HydrophobicContact CG-CD2 3.71Å; E637-Y657 WeakPolarHBondContact O-CE2 3.29Å
638	T	89.3	Confident	85.8	Confident	52 Å²	52	61.8 Å²	61.8	32%	0.319	31%	0.312	S	S	.	.	S	Bend	trans	-118.3	139.7	175	64.6	0	0	0	0	110.2	R636 E640 E641	R636-T638 VanDerWaalsContact C-N 3.31Å; T638-E640 PolarHBondContact O-N 3.44Å; T638-E641 PolarHBondContact O-N 3.11Å; T638-E641 WeakPolarHBondContact OG1-CG 3.46Å; T638-E641 PolarHBondContact OG1-OE1 3.3Å
639	P	88.2	Confident	85.5	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.058	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-58.5	-36.3	177.1	-24.5	34.3	0	0	0	112.7	E641 T642 I644 L651 Y657	P639-E641 VanDerWaalsContact C-N 3.27Å; P639-E641 PolarHBondContact O-N 2.98Å; P639-T642 PolarHBondContact O-N 2.79Å; P639-T642 PolarHBondContact O-OG1 3.46Å; P639-I644 CarbonylContact C-O 3.37Å; P639-I644 HydrophobicContact CB-CB 3.84Å; P639-I644 HydrophobicContact CB-CD1 4.38Å; P639-I644 HydrophobicContact CB-CG2 4.05Å; P639-I644 WeakPolarHBondContact O-CB 3.22Å; P639-I644 PolarHBondContact O-N 2.89Å; P639-L651 HydrophobicContact CB-CD1 4.08Å; P639-L651 HydrophobicContact CG-CD1 4.03Å; P639-Y657 HydrophobicContact CB-CD2 4.48Å; P639-Y657 HydrophobicContact CB-CG 4.49Å; P639-Y657 HydrophobicContact CG-CD1 4.22Å; P639-Y657 HydrophobicContact CG-CD2 3.87Å; P639-Y657 HydrophobicContact CG-CE1 4.09Å; P639-Y657 HydrophobicContact CG-CE2 3.71Å; P639-Y657 HydrophobicContact CG-CG 4.13Å
640	E	87.9	Confident	85.2	Confident	77 Å²	77	61 Å²	61	36%	0.36	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-63.8	-31	-176.7	-65.7	81.1	-178.3	0	0	113.2	T638 T642 G643 I644 Y645 S648	T638-E640 PolarHBondContact O-N 3.44Å; E640-T642 PolarHBondContact O-N 3.33Å; E640-G643 PolarHBondContact O-N 2.78Å; E640-G643 VanDerWaalsContact O-N 3.16Å; E640-I644 PolarHBondContact N-O 2.86Å; E640-Y645 HydrophobicContact CB-CD1 4.08Å; E640-Y645 HydrophobicContact CB-CE1 3.94Å; E640-Y645 HydrophobicContact CG-CD1 4Å; E640-Y645 HydrophobicContact CG-CE1 4.35Å; E640-Y645 WeakPolarHBondContact O-CE1 3.49Å; E640-Y645 PolarHBondContact O-OH 2.89Å; E640-S648 WeakPolarHBondContact OE1-CB 3.13Å; E640-S648 PolarHBondContact OE1-OG 3.04Å
641	E	86.3	Confident	85.2	Confident	88 Å²	88	57.7 Å²	57.7	41%	0.411	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-67.2	-19.4	174.5	-81.3	168.5	-139.8	0	0	113.1	E633 R636 T638 P639	E633-E641 VanDerWaalsContact OE2-O 3.08Å; R636-E641 HydrophobicContact CB-CB 3.63Å; R636-E641 WeakPolarHBondContact CD-OE2 3.25Å; R636-E641 HydrophobicContact CG-CB 3.73Å; T638-E641 PolarHBondContact O-N 3.11Å; T638-E641 WeakPolarHBondContact OG1-CG 3.46Å; T638-E641 PolarHBondContact OG1-OE1 3.3Å; P639-E641 VanDerWaalsContact C-N 3.27Å; P639-E641 PolarHBondContact O-N 2.98Å
642	T	83.3	Confident	85	Confident	8 Å²	8	53.2 Å²	53.2	5%	0.049	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-97.2	3.6	174.9	68.9	0	0	0	0	112.8	E633 R636 P639 E640 I644 Y657 R659	E633-T642 VanDerWaalsContact O-CG2 3.31Å; E633-T642 WeakPolarHBondContact O-CG2 3.26Å; R636-T642 HydrophobicContact CB-CG2 3.54Å; R636-T642 HydrophobicContact CG-CG2 3.65Å; P639-T642 PolarHBondContact O-N 2.79Å; P639-T642 PolarHBondContact O-OG1 3.46Å; E640-T642 PolarHBondContact O-N 3.33Å; T642-I644 WeakPolarHBondContact OG1-CD1 3.1Å; T642-I644 WeakPolarHBondContact OG1-CG1 3.36Å; T642-Y657 WeakPolarHBondContact CG2-O 3.22Å; T642-R659 WeakPolarHBondContact O-CB 3.38Å; T642-R659 VanDerWaalsContact O-CD 3.25Å; T642-R659 WeakPolarHBondContact O-CD 3.07Å
643	G	83	Confident	84.8	Confident	14 Å²	14	53.7 Å²	53.7	14%	0.144	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	13.9	-172.5	0	0	0	0	0	114.9	E640 Y645	E640-G643 PolarHBondContact O-N 2.78Å; E640-G643 VanDerWaalsContact O-N 3.16Å; G643-Y645 VanDerWaalsContact CA-CE2 3.46Å; G643-Y645 VanDerWaalsContact O-CD2 3.22Å; G643-Y645 WeakPolarHBondContact O-CD2 3.35Å; G643-Y645 WeakPolarHBondContact O-CE2 3.39Å; G643-Y645 PolarHBondContact O-N 2.78Å
644	I	83.5	Confident	84.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.			trans	-90.1	96.2	174.6	-56.4	161.9	0	0	0	108.7	V601 P639 E640 T642 L647 L651 R659	V601-I644 HydrophobicContact CB-CD1 4.1Å; V601-I644 HydrophobicContact CG1-CD1 3.46Å; V601-I644 VanDerWaalsContact CG1-CD1 3.46Å; V601-I644 HydrophobicContact CG2-CD1 3.5Å; V601-I644 VanDerWaalsContact CG2-CD1 3.5Å; V601-I644 HydrophobicContact CG2-CG1 3.9Å; V601-I644 HydrophobicContact CG2-CG2 4.45Å; P639-I644 CarbonylContact C-O 3.37Å; P639-I644 HydrophobicContact CB-CB 3.84Å; P639-I644 HydrophobicContact CB-CD1 4.38Å; P639-I644 HydrophobicContact CB-CG2 4.05Å; P639-I644 WeakPolarHBondContact O-CB 3.22Å; P639-I644 PolarHBondContact O-N 2.89Å; E640-I644 PolarHBondContact N-O 2.86Å; T642-I644 WeakPolarHBondContact OG1-CD1 3.1Å; T642-I644 WeakPolarHBondContact OG1-CG1 3.36Å; I644-L647 HydrophobicContact CG2-CB 3.77Å; I644-L647 HydrophobicContact CG2-CG 4.43Å; I644-L651 HydrophobicContact CD1-CD1 4.49Å; I644-L651 HydrophobicContact CG2-CD1 4.11Å; I644-R659 HydrophobicContact CD1-CB 4.1Å; I644-R659 HydrophobicContact CG1-CB 3.92Å; I644-R659 HydrophobicContact CG1-CG 3.92Å
645	Y	83.8	Confident	84.6	Confident	93 Å²	93	55.4 Å²	55.4	37%	0.365	29%	0.286	S	S	.	.			trans	-102.2	-22.2	-179.2	-54.2	-71.1	0	0	0	112.9	F494 E640 G643	F494-Y645 HydrophobicContact CD1-CD2 4.3Å; F494-Y645 HydrophobicContact CD1-CG 4.5Å; F494-Y645 HydrophobicContact CD2-CD1 4.28Å; F494-Y645 AromaticContact CD2-CG 3.99Å; F494-Y645 HydrophobicContact CD2-CG 3.99Å; F494-Y645 AromaticContact CE1-CD2 3.42Å; F494-Y645 HydrophobicContact CE1-CD2 3.42Å; F494-Y645 VanDerWaalsContact CE1-CD2 3.42Å; F494-Y645 AromaticContact CE1-CE2 3.77Å; F494-Y645 HydrophobicContact CE1-CE2 3.77Å; F494-Y645 AromaticContact CE1-CG 3.89Å; F494-Y645 HydrophobicContact CE1-CG 3.89Å; F494-Y645 AromaticContact CE2-CD1 3.38Å; F494-Y645 HydrophobicContact CE2-CD1 3.38Å; F494-Y645 AromaticContact CE2-CD2 3.69Å; F494-Y645 HydrophobicContact CE2-CD2 3.69Å; F494-Y645 AromaticContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE2 4.05Å; F494-Y645 AromaticContact CE2-CG 3.31Å; F494-Y645 HydrophobicContact CE2-CG 3.31Å; F494-Y645 AromaticContact CZ-CD1 3.63Å; F494-Y645 HydrophobicContact CZ-CD1 3.63Å; F494-Y645 AromaticContact CZ-CD2 3.08Å; F494-Y645 HydrophobicContact CZ-CD2 3.08Å; F494-Y645 AromaticContact CZ-CE1 3.77Å; F494-Y645 HydrophobicContact CZ-CE1 3.77Å; F494-Y645 AromaticContact CZ-CE2 3.22Å; F494-Y645 HydrophobicContact CZ-CE2 3.22Å; F494-Y645 AromaticContact CZ-CG 3.28Å; F494-Y645 HydrophobicContact CZ-CG 3.28Å; F494-Y645 AromaticContact CZ-CZ 3.56Å; E640-Y645 HydrophobicContact CB-CD1 4.08Å; E640-Y645 HydrophobicContact CB-CE1 3.94Å; E640-Y645 HydrophobicContact CG-CD1 4Å; E640-Y645 HydrophobicContact CG-CE1 4.35Å; E640-Y645 WeakPolarHBondContact O-CE1 3.49Å; E640-Y645 PolarHBondContact O-OH 2.89Å; G643-Y645 VanDerWaalsContact CA-CE2 3.46Å; G643-Y645 VanDerWaalsContact O-CD2 3.22Å; G643-Y645 WeakPolarHBondContact O-CD2 3.35Å; G643-Y645 WeakPolarHBondContact O-CE2 3.39Å; G643-Y645 PolarHBondContact O-N 2.78Å
646	L	83.2	Confident	84.6	Confident	25 Å²	25	54.7 Å²	54.7	13%	0.131	28%	0.282	C	S	.	.	S	Bend	trans	-91.6	-26.1	-169.5	-61.2	170.8	0	0	0	113	M352 V353 Y356 E595 F596	M352-L646 HydrophobicContact CG-CD1 3.92Å; M352-L646 HydrophobicContact SD-CD1 4.47Å; V353-L646 HydrophobicContact CG2-CD2 4.5Å; Y356-L646 HydrophobicContact CD1-CB 4.19Å; Y356-L646 HydrophobicContact CD1-CD1 4.14Å; Y356-L646 HydrophobicContact CD1-CD2 3.89Å; Y356-L646 HydrophobicContact CD1-CG 4.3Å; Y356-L646 HydrophobicContact CD2-CB 4.11Å; Y356-L646 HydrophobicContact CD2-CD1 3.82Å; Y356-L646 HydrophobicContact CD2-CG 4.49Å; Y356-L646 HydrophobicContact CE1-CB 3.93Å; Y356-L646 HydrophobicContact CE1-CD2 4.2Å; Y356-L646 HydrophobicContact CE1-CG 4.49Å; Y356-L646 HydrophobicContact CE2-CB 3.87Å; Y356-L646 HydrophobicContact CE2-CD1 4.43Å; Y356-L646 HydrophobicContact CG-CB 4.23Å; Y356-L646 HydrophobicContact CG-CD1 3.62Å; Y356-L646 HydrophobicContact CG-CD2 4.24Å; Y356-L646 HydrophobicContact CG-CG 4.25Å; Y356-L646 PolarHBondContact OH-O 3.19Å; E595-L646 HydrophobicContact CG-CB 4.48Å; E595-L646 HydrophobicContact CG-CD1 4.39Å; F596-L646 HydrophobicContact CE2-CD1 4.07Å; F596-L646 HydrophobicContact CZ-CD1 3.77Å
647	L	80.7	Confident	84.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-106.7	-0.1	-177.7	-60.7	-178.6	0	0	0	114.1	Y356 A593 E595 V601 I644 S649 S650 L651 I806	Y356-L647 HydrophobicContact CE2-CD2 4.2Å; A593-L647 HydrophobicContact CB-CD1 4.37Å; E595-L647 HydrophobicContact CB-CD1 3.82Å; E595-L647 HydrophobicContact CB-CG 4.4Å; E595-L647 HydrophobicContact CG-CD1 4.15Å; E595-L647 HydrophobicContact CG-CG 4.19Å; V601-L647 HydrophobicContact CG2-CD1 4.17Å; I644-L647 HydrophobicContact CG2-CB 3.77Å; I644-L647 HydrophobicContact CG2-CG 4.43Å; L647-S649 PolarHBondContact O-N 3.04Å; L647-S650 PolarHBondContact O-N 2.89Å; L647-S650 PolarHBondContact O-OG 3.43Å; L647-L651 HydrophobicContact CB-CD1 4.1Å; L647-L651 HydrophobicContact CB-CG 4.2Å; L647-L651 WeakPolarHBondContact O-CG 3.33Å; L647-L651 PolarHBondContact O-N 3.16Å; L647-L651 VanDerWaalsContact O-N 3.17Å; L647-I806 HydrophobicContact CD2-CD1 3.79Å; L647-I806 HydrophobicContact CD2-CG2 3.58Å
648	S	77.4	Confident	84.8	Confident	37 Å²	37	43.9 Å²	43.9	26%	0.259	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.2	-167.8	65.4	0	0	0	0	113.9	E640	E640-S648 WeakPolarHBondContact OE1-CB 3.13Å; E640-S648 PolarHBondContact OE1-OG 3.04Å
649	S	74.4	Confident	85	Confident	117 Å²	117	43.6 Å²	43.6	82%	0.818	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.6	175.1	59.1	0	0	0	0	114.8	L647	L647-S649 PolarHBondContact O-N 3.04Å
650	S	78.5	Confident	85.3	Confident	47 Å²	47	43.2 Å²	43.2	33%	0.329	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-16.9	-178.5	58.8	0	0	0	0	113.6	L647 I812	L647-S650 PolarHBondContact O-N 2.89Å; L647-S650 PolarHBondContact O-OG 3.43Å; S650-I812 WeakPolarHBondContact O-CD1 3.09Å
651	L	83.6	Confident	85.5	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.063	22%	0.223	C	C	.	.	S	Bend	trans	-77.6	145.4	180	-69.4	169.6	0	0	0	112	A593 V601 Y603 P639 I644 L647 Q653 Y657	A593-L651 HydrophobicContact CB-CD2 3.75Å; V601-L651 HydrophobicContact CG1-CD1 4.08Å; V601-L651 HydrophobicContact CG1-CD2 4.31Å; Y603-L651 HydrophobicContact CD1-CD2 4.02Å; Y603-L651 HydrophobicContact CE1-CD2 4.12Å; P639-L651 HydrophobicContact CB-CD1 4.08Å; P639-L651 HydrophobicContact CG-CD1 4.03Å; I644-L651 HydrophobicContact CD1-CD1 4.49Å; I644-L651 HydrophobicContact CG2-CD1 4.11Å; L647-L651 HydrophobicContact CB-CD1 4.1Å; L647-L651 HydrophobicContact CB-CG 4.2Å; L647-L651 WeakPolarHBondContact O-CG 3.33Å; L647-L651 PolarHBondContact O-N 3.16Å; L647-L651 VanDerWaalsContact O-N 3.17Å; L651-Q653 PolarHBondContact O-N 3.36Å; L651-Y657 HydrophobicContact CB-CE1 3.92Å; L651-Y657 HydrophobicContact CD1-CD1 4.05Å; L651-Y657 HydrophobicContact CD1-CE1 4.16Å
652	P	82.8	Confident	85.8	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.071	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.6	137.5	176.1	-21.3	32.9	0	0	0	111.2	Y603 Y657 I812 L815	Y603-P652 HydrophobicContact CD2-CG 4.32Å; Y603-P652 HydrophobicContact CE2-CG 3.72Å; P652-Y657 PolarHBondContact O-OH 2.94Å; P652-I812 HydrophobicContact CG-CG1 4.31Å; P652-L815 HydrophobicContact CB-CD1 3.9Å; P652-L815 HydrophobicContact CG-CD1 3.87Å
653	Q	81.4	Confident	86.2	Confident	154 Å²	154	37.9 Å²	37.9	72%	0.72	21%	0.207	S	C	*	.	S	Bend	trans	-72.5	165.3	177.4	-64.4	-176.9	-6.4	0	0	111.9	L651 C655	L651-Q653 PolarHBondContact O-N 3.36Å; Q653-C655 VanDerWaalsContact C-N 3.31Å; Q653-C655 PolarHBondContact O-N 2.91Å
654	H	83.9	Confident	86.7	Confident	145 Å²	145	37.3 Å²	37.3	67%	0.671	20%	0.2	S	C	*	.	S	Bend	trans	59.6	35.2	177.9	-51.8	-63.6	0	0	0	114.7
655	C	89.8	Confident	87.1	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.027	22%	0.217	C	C	.	.			trans	-112.1	164	173.7	-60	0	0	0	0	110.4	Y603 T604 Q653 Y657	Y603-C655 HydrophobicContact CD2-CB 4.49Å; T604-C655 VanDerWaalsContact O-CA 3.31Å; T604-C655 WeakPolarHBondContact O-CA 3.4Å; T604-C655 WeakPolarHBondContact O-CB 3.02Å; Q653-C655 VanDerWaalsContact C-N 3.31Å; Q653-C655 PolarHBondContact O-N 2.91Å; C655-Y657 HydrophobicContact CB-CE1 3.84Å; C655-Y657 HydrophobicContact CB-CE2 4.35Å; C655-Y657 VanDerWaalsContact O-CE2 3.3Å; C655-Y657 WeakPolarHBondContact O-CE2 3.25Å
656	L	92.9	Very high	87.4	Confident	20 Å²	20	36.7 Å²	36.7	11%	0.105	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.6	160	-58.7	-171.1	0	0	0	109.2	Y603 T604 Q617 A618 N635 R636 E637	Y603-L656 CarbonylContact C-O 3.01Å; Y603-L656 VanDerWaalsContact CA-O 3.23Å; Y603-L656 WeakPolarHBondContact CA-O 3.32Å; T604-L656 PolarHBondContact N-O 3.43Å; T604-L656 PolarHBondContact O-N 3.24Å; Q617-L656 HydrophobicContact CG-CD1 4.16Å; A618-L656 WeakPolarHBondContact O-CD1 3.09Å; N635-L656 HydrophobicContact CB-CB 4.43Å; N635-L656 HydrophobicContact CB-CD1 4.12Å; R636-L656 CarbonylContact O-C 3.53Å; R636-L656 WeakPolarHBondContact O-CA 3.46Å; E637-L656 HydrophobicContact CB-CD2 4.45Å; E637-L656 HydrophobicContact CG-CD2 3.71Å
657	Y	93.4	Very high	87.6	Confident	8 Å²	8	42.7 Å²	42.7	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.7	-176.5	-49.1	-84.8	0	0	0	111.1	I602 N635 R636 E637 P639 T642 L651 P652 C655	I602-Y657 CarbonylContact O-C 3.32Å; I602-Y657 WeakPolarHBondContact O-CA 3.4Å; N635-Y657 CarbonylContact C-O 3.53Å; N635-Y657 VanDerWaalsContact CA-O 3.29Å; N635-Y657 WeakPolarHBondContact CA-O 3.5Å; N635-Y657 PolarHBondContact N-O 2.92Å; R636-Y657 PolarHBondContact N-O 2.83Å; R636-Y657 WeakPolarHBondContact O-CD2 3.43Å; R636-Y657 PolarHBondContact O-N 2.81Å; E637-Y657 WeakPolarHBondContact O-CE2 3.29Å; P639-Y657 HydrophobicContact CB-CD2 4.48Å; P639-Y657 HydrophobicContact CB-CG 4.49Å; P639-Y657 HydrophobicContact CG-CD1 4.22Å; P639-Y657 HydrophobicContact CG-CD2 3.87Å; P639-Y657 HydrophobicContact CG-CE1 4.09Å; P639-Y657 HydrophobicContact CG-CE2 3.71Å; P639-Y657 HydrophobicContact CG-CG 4.13Å; T642-Y657 WeakPolarHBondContact CG2-O 3.22Å; L651-Y657 HydrophobicContact CB-CE1 3.92Å; L651-Y657 HydrophobicContact CD1-CD1 4.05Å; L651-Y657 HydrophobicContact CD1-CE1 4.16Å; P652-Y657 PolarHBondContact O-OH 2.94Å; C655-Y657 HydrophobicContact CB-CE1 3.84Å; C655-Y657 HydrophobicContact CB-CE2 4.35Å; C655-Y657 VanDerWaalsContact O-CE2 3.3Å; C655-Y657 WeakPolarHBondContact O-CE2 3.25Å
658	T	94.3	Very high	88	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	125.4	170.4	-64.7	0	0	0	0	109	I602 V620 F623 M634 N635 L660	I602-T658 PolarHBondContact N-O 3.02Å; I602-T658 PolarHBondContact O-N 3.27Å; V620-T658 HydrophobicContact CG2-CG2 4.19Å; V620-T658 WeakPolarHBondContact CG2-OG1 3.45Å; F623-T658 HydrophobicContact CE2-CG2 4.02Å; F623-T658 HydrophobicContact CZ-CG2 4.25Å; M634-T658 HydrophobicContact CB-CG2 4.21Å; M634-T658 HydrophobicContact CG-CG2 3.8Å; N635-T658 PolarHBondContact N-OG1 2.86Å; T658-L660 HydrophobicContact CG2-CD2 3.97Å
659	R	93.6	Very high	88.7	Confident	46 Å²	46	52.8 Å²	52.8	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.6	178.6	-170.8	-179.4	-176	-101.1	1.1	110.2	E595 V599 T642 I644	E595-R659 IonicContact OE2-CZ 2.63Å; E595-R659 VanDerWaalsContact OE2-CZ 3.31Å; E595-R659 IonicContact OE2-NE 2.77Å; E595-R659 PolarHBondContact OE2-NE 2.83Å; E595-R659 IonicContact OE2-NH2 3.75Å; E595-R659 PolarHBondContact OE2-NH2 3.03Å; V599-R659 HydrophobicContact CG1-CG 4.06Å; T642-R659 WeakPolarHBondContact O-CB 3.38Å; T642-R659 VanDerWaalsContact O-CD 3.25Å; T642-R659 WeakPolarHBondContact O-CD 3.07Å; I644-R659 HydrophobicContact CD1-CB 4.1Å; I644-R659 HydrophobicContact CG1-CB 3.92Å; I644-R659 HydrophobicContact CG1-CG 3.92Å
660	L	93.5	Very high	89.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104	174.4	-57.8	-173.9	0	0	0	109.5	V599 L600 I602 F623 V629 T658 L663 L670	V599-L660 CarbonylContact C-O 3.56Å; V599-L660 WeakPolarHBondContact CA-O 3.38Å; L600-L660 HydrophobicContact CB-CB 4.42Å; L600-L660 HydrophobicContact CD2-CD1 4.45Å; L600-L660 PolarHBondContact N-O 3.42Å; L600-L660 WeakPolarHBondContact O-CA 3.18Å; L600-L660 PolarHBondContact O-N 2.64Å; I602-L660 HydrophobicContact CD1-CD1 3.5Å; I602-L660 VanDerWaalsContact CD1-CD1 3.5Å; I602-L660 HydrophobicContact CD1-CG 4.23Å; I602-L660 HydrophobicContact CG1-CD1 4.19Å; F623-L660 HydrophobicContact CD1-CD1 4.07Å; F623-L660 HydrophobicContact CD1-CD2 4.1Å; F623-L660 HydrophobicContact CD2-CD2 4.37Å; F623-L660 HydrophobicContact CE1-CD1 3.74Å; F623-L660 HydrophobicContact CE1-CD2 4.04Å; F623-L660 HydrophobicContact CE1-CG 4.45Å; F623-L660 HydrophobicContact CE2-CD2 4.31Å; F623-L660 HydrophobicContact CG-CD2 4.27Å; F623-L660 HydrophobicContact CZ-CD1 4.39Å; F623-L660 HydrophobicContact CZ-CD2 4.15Å; V629-L660 HydrophobicContact CG1-CD2 4.09Å; V629-L660 HydrophobicContact CG2-CD2 3.6Å; T658-L660 HydrophobicContact CG2-CD2 3.97Å; L660-L663 HydrophobicContact CB-CD2 4.36Å; L660-L670 HydrophobicContact CD1-CD2 3.82Å
661	S	91.5	Very high	90.3	Very high	44 Å²	44	47.8 Å²	47.8	31%	0.308	23%	0.226	S	C	.	.			trans	-90.5	172.7	171.5	72.4	0	0	0	0	110.9	L663	S661-L663 PolarHBondContact O-N 2.98Å
662	S	92.6	Very high	90.9	Very high	18 Å²	18	47.3 Å²	47.3	13%	0.126	22%	0.223	C	C	.	.			trans	63.4	31	173	-53	0	0	0	0	115.8	N598 Q664 K665	N598-S662 PolarHBondContact O-N 3.08Å; S662-Q664 PolarHBondContact O-N 3.04Å; S662-K665 WeakPolarHBondContact O-CB 3.31Å; S662-K665 PolarHBondContact O-N 2.78Å
663	L	93.4	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-56.8	-23.8	-179.8	-64	174.8	0	0	0	113.7	N598 L600 L627 L660 S661 K665 L666 P700 L701 I702 A703	N598-L663 HydrophobicContact CB-CB 4.5Å; N598-L663 WeakPolarHBondContact O-CG 3.45Å; N598-L663 PolarHBondContact O-N 3.36Å; N598-L663 VanDerWaalsContact O-N 3.13Å; L600-L663 HydrophobicContact CB-CD1 3.72Å; L600-L663 HydrophobicContact CB-CD2 4.39Å; L627-L663 HydrophobicContact CD2-CD2 4.34Å; L660-L663 HydrophobicContact CB-CD2 4.36Å; S661-L663 PolarHBondContact O-N 2.98Å; L663-K665 PolarHBondContact O-N 3.35Å; L663-L666 VanDerWaalsContact O-CB 3.27Å; L663-L666 WeakPolarHBondContact O-CB 3.37Å; L663-L666 PolarHBondContact O-N 2.91Å; L663-L666 VanDerWaalsContact O-N 3.14Å; L663-P700 HydrophobicContact CD2-CG 4.43Å; L663-L701 HydrophobicContact CD1-CB 4.21Å; L663-L701 HydrophobicContact CD1-CD1 3.81Å; L663-L701 HydrophobicContact CD1-CG 4.42Å; L663-I702 HydrophobicContact CB-CG2 4.23Å; L663-A703 WeakPolarHBondContact O-CB 3.44Å
664	Q	92.3	Very high	92.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-62.4	-21.1	175.5	76.6	-80.8	7.3	0	0	113.6	L375 E379 N598 S662 I702 L707	L375-Q664 HydrophobicContact CD2-CG 4.11Å; E379-Q664 HydrophobicContact CB-CG 4.44Å; E379-Q664 VanDerWaalsContact CD-CG 3.4Å; E379-Q664 HydrophobicContact CG-CG 3.87Å; E379-Q664 WeakPolarHBondContact OE1-CG 3.16Å; E379-Q664 PolarHBondContact OE2-NE2 3.45Å; N598-Q664 VanDerWaalsContact CB-OE1 3.29Å; N598-Q664 PolarHBondContact ND2-OE1 2.84Å; S662-Q664 PolarHBondContact O-N 3.04Å; Q664-I702 HydrophobicContact CB-CG2 4.03Å; Q664-L707 HydrophobicContact CB-CB 4.25Å; Q664-L707 HydrophobicContact CB-CD1 4.11Å
665	K	91.3	Very high	92.6	Very high	80 Å²	80	34 Å²	34	35%	0.348	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-81.2	-18.1	178	-62.2	-177.2	-174	166.2	0	113	E379 S662 L663 R667	E379-K665 WeakPolarHBondContact OE1-CG 2.87Å; S662-K665 WeakPolarHBondContact O-CB 3.31Å; S662-K665 PolarHBondContact O-N 2.78Å; L663-K665 PolarHBondContact O-N 3.35Å; K665-R667 PolarHBondContact O-N 2.84Å
666	L	91.1	Very high	92.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.162	C	C	.	.			trans	-64.7	118.6	-176.9	-172	73	0	0	0	110.7	L627 L663 E668 L670 A703 H708	L627-L666 HydrophobicContact CD1-CD1 4.24Å; L627-L666 HydrophobicContact CD2-CB 4.19Å; L627-L666 HydrophobicContact CD2-CD1 4.43Å; L627-L666 HydrophobicContact CG-CD1 4.19Å; L663-L666 VanDerWaalsContact O-CB 3.27Å; L663-L666 WeakPolarHBondContact O-CB 3.37Å; L663-L666 PolarHBondContact O-N 2.91Å; L663-L666 VanDerWaalsContact O-N 3.14Å; L666-E668 WeakPolarHBondContact CD2-O 2.84Å; L666-E668 VanDerWaalsContact CG-O 3.28Å; L666-E668 WeakPolarHBondContact CG-O 3.47Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CD2-CB 3.77Å; L666-A703 HydrophobicContact CB-CB 4.23Å; L666-A703 HydrophobicContact CD2-CB 4.06Å; L666-H708 PolarHBondContact O-CE1 3.31Å; L666-H708 VanDerWaalsContact O-CE1 3.26Å; L666-H708 PolarHBondContact O-ND1 2.77Å
667	R	87.4	Confident	92.7	Very high	150 Å²	150	35.1 Å²	35.1	57%	0.566	17%	0.167	S	C	*	.			trans	-91.5	-40.7	-178	-62.1	-178.7	-179.4	177.1	2.8	113	K665 K699	K665-R667 PolarHBondContact O-N 2.84Å; R667-K699 WeakPolarHBondContact O-CE 3.43Å; R667-K699 PolarHBondContact O-NZ 3.03Å
668	E	89.3	Confident	92.5	Very high	138 Å²	138	34.7 Å²	34.7	65%	0.645	17%	0.166	S	C	*	.	S	Bend	trans	-103.1	-173.2	-178.4	-59.7	-56.6	151.2	0	0	111.3	L666 K699	L666-E668 WeakPolarHBondContact CD2-O 2.84Å; L666-E668 VanDerWaalsContact CG-O 3.28Å; L666-E668 WeakPolarHBondContact CG-O 3.47Å; E668-K699 WeakPolarHBondContact O-CE 2.96Å
669	E	91.9	Very high	92.1	Very high	112 Å²	112	35.5 Å²	35.5	52%	0.523	17%	0.171	S	C	.	.			trans	-69.4	145	171.9	-63	-179.6	164.1	0	0	110.9	V671 N696	E669-V671 PolarHBondContact O-N 3.35Å; E669-V671 VanDerWaalsContact O-N 3.11Å; E669-N696 PolarHBondContact OE2-ND2 2.78Å
670	L	92.9	Very high	91.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.			trans	-77.6	100	177.7	-176.7	53.8	0	0	0	109.5	L600 F623 L627 L660 L666 F672 I697 G698 P700	L600-L670 HydrophobicContact CD2-CD2 4.31Å; F623-L670 HydrophobicContact CD1-CD1 4.13Å; L627-L670 HydrophobicContact CD1-CD1 3.73Å; L660-L670 HydrophobicContact CD1-CD2 3.82Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CD2-CB 3.77Å; L670-F672 HydrophobicContact CG-CD1 4.32Å; L670-I697 HydrophobicContact CB-CD1 4.47Å; L670-I697 HydrophobicContact CB-CG1 3.95Å; L670-I697 HydrophobicContact CD2-CD1 3.67Å; L670-I697 HydrophobicContact CD2-CG1 4.08Å; L670-I697 HydrophobicContact CG-CD1 4.17Å; L670-I697 HydrophobicContact CG-CG1 4.06Å; L670-I697 PolarHBondContact O-N 2.92Å; L670-I697 VanDerWaalsContact O-N 3.11Å; L670-G698 WeakPolarHBondContact CB-O 3.47Å; L670-G698 PolarHBondContact N-O 2.96Å; L670-P700 HydrophobicContact CD2-CG 3.97Å
671	V	93.9	Very high	91	Very high	59 Å²	59	39 Å²	39	36%	0.358	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136	173.3	-174	0	0	0	0	109.2	E669 S694 V695 N696	E669-V671 PolarHBondContact O-N 3.35Å; E669-V671 VanDerWaalsContact O-N 3.11Å; V671-S694 WeakPolarHBondContact CG1-OG 3.38Å; V671-V695 VanDerWaalsContact CA-O 3.29Å; V671-V695 WeakPolarHBondContact CA-O 3.48Å; V671-N696 HydrophobicContact CG2-CB 4.02Å
672	F	94.9	Very high	90	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	169.5	174.4	61.4	-86.7	0	0	0	110.7	L590 F592 I602 V620 F623 L670 V674 V695 I697	L590-F672 HydrophobicContact CD1-CE2 4.42Å; L590-F672 HydrophobicContact CD2-CE2 3.93Å; L590-F672 HydrophobicContact CD2-CZ 3.8Å; F592-F672 HydrophobicContact CE1-CZ 4.37Å; I602-F672 HydrophobicContact CD1-CE1 3.96Å; I602-F672 HydrophobicContact CD1-CE2 4.4Å; I602-F672 HydrophobicContact CD1-CZ 3.87Å; V620-F672 HydrophobicContact CB-CD2 4.2Å; V620-F672 HydrophobicContact CB-CE2 4.48Å; V620-F672 HydrophobicContact CG1-CD2 4Å; V620-F672 HydrophobicContact CG1-CE2 3.82Å; F623-F672 HydrophobicContact CD1-CB 3.52Å; F623-F672 HydrophobicContact CD1-CD1 4.27Å; F623-F672 HydrophobicContact CD1-CG 4.03Å; F623-F672 HydrophobicContact CE1-CB 3.42Å; F623-F672 VanDerWaalsContact CE1-CB 3.42Å; F623-F672 AromaticContact CE1-CD1 3.69Å; F623-F672 HydrophobicContact CE1-CD1 3.69Å; F623-F672 AromaticContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CE1 4.4Å; F623-F672 AromaticContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CE1-CG 3.43Å; F623-F672 VanDerWaalsContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CG-CB 4.22Å; F623-F672 HydrophobicContact CZ-CB 4.05Å; F623-F672 HydrophobicContact CZ-CD2 4.11Å; F623-F672 HydrophobicContact CZ-CG 4.02Å; L670-F672 HydrophobicContact CG-CD1 4.32Å; F672-V674 HydrophobicContact CD2-CG2 4.46Å; F672-V674 HydrophobicContact CE2-CG2 4.07Å; F672-V695 HydrophobicContact CD2-CB 4.44Å; F672-V695 HydrophobicContact CE1-CB 4.38Å; F672-V695 HydrophobicContact CE1-CG1 3.96Å; F672-V695 HydrophobicContact CE2-CB 4.13Å; F672-V695 HydrophobicContact CE2-CG1 4.23Å; F672-V695 HydrophobicContact CZ-CB 4.1Å; F672-V695 HydrophobicContact CZ-CG1 3.73Å; F672-V695 PolarHBondContact N-O 2.67Å; F672-V695 PolarHBondContact O-N 2.75Å; F672-I697 HydrophobicContact CE1-CD1 4.04Å; F672-I697 HydrophobicContact CE1-CG1 4.18Å; F672-I697 HydrophobicContact CE1-CG2 4.42Å
673	T	94.7	Very high	88.9	Confident	21 Å²	21	46.6 Å²	46.6	13%	0.129	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.8	-178.2	-56.1	0	0	0	0	110.3	V620 T621 D622 T692	V620-T673 CarbonylContact C-O 3.42Å; V620-T673 WeakPolarHBondContact CA-O 3.42Å; T621-T673 HydrophobicContact CG2-CG2 4.34Å; T621-T673 PolarHBondContact N-O 2.97Å; T621-T673 PolarHBondContact O-N 3.01Å; D622-T673 VanDerWaalsContact OD2-CB 3.26Å; D622-T673 WeakPolarHBondContact OD2-CB 3.43Å; D622-T673 PolarHBondContact OD2-OG1 3.44Å; T673-T692 HydrophobicContact CG2-CG2 3.98Å
674	V	95.7	Very high	87.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.8	164.1	-177.4	0	0	0	0	108	L580 F582 I588 L590 V620 F672 T692 K693 V695	L580-V674 HydrophobicContact CD1-CB 3.89Å; L580-V674 HydrophobicContact CD1-CG1 4.06Å; L580-V674 HydrophobicContact CD1-CG2 3.64Å; F582-V674 HydrophobicContact CZ-CG1 4.18Å; I588-V674 HydrophobicContact CD1-CG1 4.28Å; L590-V674 HydrophobicContact CD2-CG2 4.17Å; V620-V674 HydrophobicContact CG1-CG2 4.2Å; F672-V674 HydrophobicContact CD2-CG2 4.46Å; F672-V674 HydrophobicContact CE2-CG2 4.07Å; V674-T692 WeakPolarHBondContact O-CA 3.33Å; V674-K693 PolarHBondContact N-O 3.27Å; V674-K693 PolarHBondContact O-N 2.6Å; V674-V695 HydrophobicContact CG2-CG2 3.8Å
675	C	94.4	Very high	85.9	Confident	11 Å²	11	60.2 Å²	60.2	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	177.7	-174.4	0	0	0	0	109.7	A618 H619 T621 W691 T692	A618-C675 CarbonylContact C-O 3.59Å; A618-C675 WeakPolarHBondContact CA-O 3.48Å; H619-C675 PolarHBondContact CE1-SG 3.07Å; H619-C675 PolarHBondContact N-O 2.94Å; H619-C675 VanDerWaalsContact NE2-CB 3.32Å; H619-C675 WeakPolarHBondContact NE2-CB 3.41Å; H619-C675 PolarHBondContact NE2-SG 2.65Å; H619-C675 PolarHBondContact O-N 3.17Å; T621-C675 HydrophobicContact CG2-CB 4.42Å; C675-W691 CarbonylContact C-O 3.48Å; C675-W691 WeakPolarHBondContact CA-O 3.32Å; C675-T692 HydrophobicContact CB-CG2 4.32Å
676	L	93.2	Very high	84.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.1	173.4	179.6	65.1	0	0	0	108.7	F582 A586 I588 C616 Q617 A618 F690 W691	F582-L676 HydrophobicContact CB-CD2 3.97Å; F582-L676 HydrophobicContact CD1-CB 4.07Å; F582-L676 HydrophobicContact CD1-CD2 4.03Å; F582-L676 HydrophobicContact CD2-CD2 4.14Å; F582-L676 HydrophobicContact CE1-CB 3.83Å; F582-L676 HydrophobicContact CG-CB 4.49Å; F582-L676 HydrophobicContact CG-CD2 3.77Å; F582-L676 HydrophobicContact CZ-CB 4.11Å; A586-L676 HydrophobicContact CB-CD2 3.64Å; I588-L676 HydrophobicContact CD1-CB 3.99Å; I588-L676 HydrophobicContact CD1-CD1 3.68Å; I588-L676 HydrophobicContact CD1-CD2 4.3Å; I588-L676 HydrophobicContact CD1-CG 4.19Å; I588-L676 HydrophobicContact CG1-CD1 4.45Å; C616-L676 WeakPolarHBondContact SG-CD1 3.45Å; Q617-L676 WeakPolarHBondContact O-CD1 3.32Å; A618-L676 HydrophobicContact CB-CD1 4.36Å; L676-F690 CarbonylContact O-C 3.57Å; L676-F690 WeakPolarHBondContact O-CA 3.39Å; L676-W691 HydrophobicContact CB-CB 4.38Å; L676-W691 HydrophobicContact CB-CE3 4.39Å; L676-W691 HydrophobicContact CD2-CE3 4.03Å; L676-W691 HydrophobicContact CG-CE3 4.09Å; L676-W691 PolarHBondContact N-O 2.82Å; L676-W691 PolarHBondContact O-N 2.92Å
677	Q	91.7	Very high	84.1	Confident	46 Å²	46	69.1 Å²	69.1	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	173.1	-176.9	178.8	-14.7	0	0	109.1	F615 C616 Q617 P688 I689 F690	F615-Q677 HydrophobicContact CE1-CG 4.25Å; C616-Q677 CarbonylContact C-O 3.55Å; C616-Q677 WeakPolarHBondContact CA-O 3.38Å; Q617-Q677 PolarHBondContact N-O 2.71Å; Q617-Q677 PolarHBondContact O-N 2.87Å; Q677-P688 HydrophobicContact CG-CB 3.63Å; Q677-P688 VanDerWaalsContact NE2-CB 3.27Å; Q677-I689 WeakPolarHBondContact CA-O 3.3Å; Q677-F690 HydrophobicContact CB-CD1 4.02Å; Q677-F690 HydrophobicContact CB-CE1 3.9Å; Q677-F690 HydrophobicContact CG-CD1 4.09Å; Q677-F690 HydrophobicContact CG-CE1 3.61Å; Q677-F690 HydrophobicContact CG-CZ 4.07Å
678	G	88.6	Confident	83.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.1	174	0	0	0	0	0	114.4	F615 I689	F615-G678 WeakPolarHBondContact O-CA 3.14Å; G678-I689 PolarHBondContact N-O 2.75Å; G678-I689 PolarHBondContact O-N 2.63Å
679	T	87.2	Confident	83.8	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.8	172	59.3	0	0	0	0	109.7	M613 S614 F615 P688	M613-T679 CarbonylContact C-O 3.5Å; M613-T679 WeakPolarHBondContact CA-O 3.23Å; M613-T679 WeakPolarHBondContact CG-O 3.43Å; S614-T679 PolarHBondContact N-O 3Å; S614-T679 PolarHBondContact OG-O 3.35Å; S614-T679 PolarHBondContact OG-OG1 3.37Å; S614-T679 VanDerWaalsContact OG-OG1 3.12Å; F615-T679 WeakPolarHBondContact CB-OG1 3.27Å; F615-T679 PolarHBondContact N-O 3.3Å; F615-T679 PolarHBondContact O-N 3.36Å; F615-T679 VanDerWaalsContact O-N 3.09Å; T679-P688 HydrophobicContact CG2-CB 4.25Å
680	F	84.1	Confident	83.7	Confident	38 Å²	38	60.8 Å²	60.8	17%	0.167	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.2	-178	-70	-86.9	0	0	0	110.9	D612 M613 A682 M683 I689 W691	D612-F680 HydrophobicContact CB-CD1 4.22Å; D612-F680 WeakPolarHBondContact O-CA 3.46Å; D612-F680 WeakPolarHBondContact OD2-CD1 3.34Å; D612-F680 WeakPolarHBondContact OD2-CE1 3.33Å; M613-F680 HydrophobicContact CB-CD1 4.24Å; M613-F680 HydrophobicContact CB-CE1 4.16Å; M613-F680 HydrophobicContact CE-CE1 4.05Å; M613-F680 HydrophobicContact CE-CE2 4.11Å; M613-F680 HydrophobicContact CE-CZ 3.62Å; F680-A682 PolarHBondContact O-N 3.46Å; F680-A682 VanDerWaalsContact O-N 3.09Å; F680-M683 HydrophobicContact CB-CG 4.37Å; F680-M683 PolarHBondContact O-N 3.32Å; F680-I689 HydrophobicContact CD2-CD1 4.05Å; F680-I689 HydrophobicContact CE2-CD1 4.02Å; F680-W691 AromaticContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CZ2 4.22Å; F680-W691 HydrophobicContact CZ-CH2 4.17Å; F680-W691 HydrophobicContact CZ-CZ2 4.5Å
681	A	78.1	Confident	83.7	Confident	82 Å²	82	63.1 Å²	63.1	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17	-176.9	0	0	0	0	0	114	D612	D612-A681 PolarHBondContact O-N 3.13Å
682	A	71.6	Confident	83.7	Confident	97 Å²	97	65 Å²	65	80%	0.802	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.6	-179.4	0	0	0	0	0	114.3	F680	F680-A682 PolarHBondContact O-N 3.46Å; F680-A682 VanDerWaalsContact O-N 3.09Å
683	M	69.1	Low	83.7	Confident	123 Å²	123	68.4 Å²	68.4	61%	0.606	38%	0.376	S	S	*	.			trans	-100.8	120.7	178.9	-72	-89.7	-175.9	0	0	109.5	F680 D685	F680-M683 HydrophobicContact CB-CG 4.37Å; F680-M683 PolarHBondContact O-N 3.32Å; M683-D685 VanDerWaalsContact C-N 3.25Å; M683-D685 PolarHBondContact O-N 2.73Å
684	D	60.5	Low	83.7	Confident	169 Å²	169	71.9 Å²	71.9	90%	0.904	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.9	-177.2	-81.7	-31.1	0	0	0	114.4
685	D	63.3	Low	83.6	Confident	119 Å²	119	72.1 Å²	72.1	64%	0.636	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	5.6	-168.2	-81.5	-31.3	0	0	0	115.8	M683 H687	M683-D685 VanDerWaalsContact C-N 3.25Å; M683-D685 PolarHBondContact O-N 2.73Å; D685-H687 PolarHBondContact O-N 3.03Å
686	D	65.5	Low	83.6	Confident	131 Å²	131	75.5 Å²	75.5	70%	0.701	42%	0.42	S	S	*	.			trans	49.1	15.1	-179.5	-88.5	-24.9	0	0	0	115.1	P688	D686-P688 WeakPolarHBondContact O-CD 3.33Å
687	H	78.4	Confident	83.6	Confident	137 Å²	137	76.8 Å²	76.8	63%	0.634	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-73.2	120.9	-175.4	-79	-38.7	0	0	0	110.4	D685 I689	D685-H687 PolarHBondContact O-N 3.03Å; H687-I689 PolarHBondContact O-N 2.9Å
688	P	81.3	Confident	83.6	Confident	49 Å²	49	75.5 Å²	75.5	32%	0.318	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-70.1	130.3	178.9	25.9	-31.1	0	0	0	111.2	Q677 T679 D686 F690	Q677-P688 HydrophobicContact CG-CB 3.63Å; Q677-P688 VanDerWaalsContact NE2-CB 3.27Å; T679-P688 HydrophobicContact CG2-CB 4.25Å; D686-P688 WeakPolarHBondContact O-CD 3.33Å; P688-F690 HydrophobicContact CB-CE2 3.99Å; P688-F690 HydrophobicContact CB-CZ 3.95Å; P688-F690 HydrophobicContact CG-CE2 3.87Å; P688-F690 HydrophobicContact CG-CZ 3.87Å; P688-F690 WeakPolarHBondContact O-CD2 3.16Å; P688-F690 WeakPolarHBondContact O-CE2 3.1Å
689	I	88.6	Confident	83.7	Confident	65 Å²	65	78.1 Å²	78.1	33%	0.333	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.1	169.9	-57.1	175	0	0	0	107.8	Q677 G678 F680 H687 W691	Q677-I689 WeakPolarHBondContact CA-O 3.3Å; G678-I689 PolarHBondContact N-O 2.75Å; G678-I689 PolarHBondContact O-N 2.63Å; F680-I689 HydrophobicContact CD2-CD1 4.05Å; F680-I689 HydrophobicContact CE2-CD1 4.02Å; H687-I689 PolarHBondContact O-N 2.9Å; I689-W691 HydrophobicContact CB-CH2 3.66Å; I689-W691 HydrophobicContact CB-CZ2 4.07Å; I689-W691 HydrophobicContact CB-CZ3 4.03Å; I689-W691 HydrophobicContact CG2-CD2 4.29Å; I689-W691 HydrophobicContact CG2-CE3 4.36Å; I689-W691 HydrophobicContact CG2-CH2 3.56Å; I689-W691 HydrophobicContact CG2-CZ2 3.43Å; I689-W691 VanDerWaalsContact CG2-CZ2 3.43Å; I689-W691 HydrophobicContact CG2-CZ3 4.02Å; I689-W691 WeakPolarHBondContact O-CZ3 3.37Å
690	F	90.5	Very high	83.9	Confident	111 Å²	111	77.5 Å²	77.5	49%	0.487	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.1	-178.8	-61.1	-88.8	0	0	0	110.5	L676 Q677 P688	L676-F690 CarbonylContact O-C 3.57Å; L676-F690 WeakPolarHBondContact O-CA 3.39Å; Q677-F690 HydrophobicContact CB-CD1 4.02Å; Q677-F690 HydrophobicContact CB-CE1 3.9Å; Q677-F690 HydrophobicContact CG-CD1 4.09Å; Q677-F690 HydrophobicContact CG-CE1 3.61Å; Q677-F690 HydrophobicContact CG-CZ 4.07Å; P688-F690 HydrophobicContact CB-CE2 3.99Å; P688-F690 HydrophobicContact CB-CZ 3.95Å; P688-F690 HydrophobicContact CG-CE2 3.87Å; P688-F690 HydrophobicContact CG-CZ 3.87Å; P688-F690 WeakPolarHBondContact O-CD2 3.16Å; P688-F690 WeakPolarHBondContact O-CE2 3.1Å
691	W	93.4	Very high	84.2	Confident	48 Å²	48	75.8 Å²	75.8	18%	0.182	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.7	167.7	-58.2	-95.4	0	0	0	109.2	F582 C584 M613 C675 L676 F680 I689	F582-W691 HydrophobicContact CD1-CB 3.5Å; F582-W691 HydrophobicContact CD1-CG 4.32Å; F582-W691 HydrophobicContact CE1-CB 3.9Å; C584-W691 HydrophobicContact CB-CD2 4.28Å; C584-W691 HydrophobicContact CB-CH2 3.91Å; C584-W691 HydrophobicContact CB-CZ2 3.47Å; C584-W691 VanDerWaalsContact CB-CZ2 3.47Å; C584-W691 HydrophobicContact CB-CZ3 4.47Å; M613-W691 HydrophobicContact CE-CH2 3.85Å; M613-W691 HydrophobicContact CE-CZ3 3.96Å; C675-W691 CarbonylContact C-O 3.48Å; C675-W691 WeakPolarHBondContact CA-O 3.32Å; L676-W691 HydrophobicContact CB-CB 4.38Å; L676-W691 HydrophobicContact CB-CE3 4.39Å; L676-W691 HydrophobicContact CD2-CE3 4.03Å; L676-W691 HydrophobicContact CG-CE3 4.09Å; L676-W691 PolarHBondContact N-O 2.82Å; L676-W691 PolarHBondContact O-N 2.92Å; F680-W691 AromaticContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CZ2 4.22Å; F680-W691 HydrophobicContact CZ-CH2 4.17Å; F680-W691 HydrophobicContact CZ-CZ2 4.5Å; I689-W691 HydrophobicContact CB-CH2 3.66Å; I689-W691 HydrophobicContact CB-CZ2 4.07Å; I689-W691 HydrophobicContact CB-CZ3 4.03Å; I689-W691 HydrophobicContact CG2-CD2 4.29Å; I689-W691 HydrophobicContact CG2-CE3 4.36Å; I689-W691 HydrophobicContact CG2-CH2 3.56Å; I689-W691 HydrophobicContact CG2-CZ2 3.43Å; I689-W691 VanDerWaalsContact CG2-CZ2 3.43Å; I689-W691 HydrophobicContact CG2-CZ3 4.02Å; I689-W691 WeakPolarHBondContact O-CZ3 3.37Å
692	T	93.8	Very high	84.8	Confident	98 Å²	98	72 Å²	72	60%	0.601	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.7	-180	55.5	0	0	0	0	110.7	T673 V674 C675	T673-T692 HydrophobicContact CG2-CG2 3.98Å; V674-T692 WeakPolarHBondContact O-CA 3.33Å; C675-T692 HydrophobicContact CB-CG2 4.32Å
693	K	93.9	Very high	85.6	Confident	74 Å²	74	67.4 Å²	67.4	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.9	168.4	-77.3	-164.7	165.7	-156.5	0	109.7	L580 N581 F582 V674	L580-K693 HydrophobicContact CD2-CD 4.37Å; N581-K693 WeakPolarHBondContact O-CE 3.44Å; N581-K693 PolarHBondContact O-NZ 2.89Å; F582-K693 HydrophobicContact CD1-CG 4.4Å; F582-K693 HydrophobicContact CE1-CB 4.32Å; F582-K693 HydrophobicContact CE1-CD 4.29Å; F582-K693 HydrophobicContact CE1-CG 3.85Å; F582-K693 HydrophobicContact CE2-CD 4.39Å; F582-K693 HydrophobicContact CZ-CB 4.17Å; F582-K693 HydrophobicContact CZ-CD 4.2Å; F582-K693 HydrophobicContact CZ-CG 4.02Å; V674-K693 PolarHBondContact N-O 3.27Å; V674-K693 PolarHBondContact O-N 2.6Å
694	S	94.6	Very high	86.5	Confident	93 Å²	93	66.9 Å²	66.9	65%	0.65	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.8	171.2	-176.2	0	0	0	0	109.8	V671	V671-S694 WeakPolarHBondContact CG1-OG 3.38Å
695	V	94.6	Very high	87.5	Confident	5 Å²	5	60 Å²	60	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.3	-179.2	173	0	0	0	0	108.3	M578 L580 L590 V671 F672 V674 I697	M578-V695 HydrophobicContact CE-CB 4.17Å; M578-V695 HydrophobicContact CE-CG1 3.54Å; M578-V695 HydrophobicContact CE-CG2 3.61Å; M578-V695 HydrophobicContact SD-CG1 3.51Å; M578-V695 VanDerWaalsContact SD-CG1 3.51Å; M578-V695 HydrophobicContact SD-CG2 4.49Å; L580-V695 HydrophobicContact CD1-CG2 3.96Å; L580-V695 HydrophobicContact CD2-CG2 4.44Å; L590-V695 HydrophobicContact CD2-CG1 4.05Å; L590-V695 HydrophobicContact CD2-CG2 4.27Å; V671-V695 VanDerWaalsContact CA-O 3.29Å; V671-V695 WeakPolarHBondContact CA-O 3.48Å; F672-V695 HydrophobicContact CD2-CB 4.44Å; F672-V695 HydrophobicContact CE1-CB 4.38Å; F672-V695 HydrophobicContact CE1-CG1 3.96Å; F672-V695 HydrophobicContact CE2-CB 4.13Å; F672-V695 HydrophobicContact CE2-CG1 4.23Å; F672-V695 HydrophobicContact CZ-CB 4.1Å; F672-V695 HydrophobicContact CZ-CG1 3.73Å; F672-V695 PolarHBondContact N-O 2.67Å; F672-V695 PolarHBondContact O-N 2.75Å; V674-V695 HydrophobicContact CG2-CG2 3.8Å; V695-I697 HydrophobicContact CG1-CG2 3.91Å
696	N	94.1	Very high	88.3	Confident	83 Å²	83	55.9 Å²	55.9	44%	0.444	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.7	174	-178.2	-8.5	0	0	0	108.7	E669 V671 G698	E669-N696 PolarHBondContact OE2-ND2 2.78Å; V671-N696 HydrophobicContact CG2-CB 4.02Å; N696-G698 PolarHBondContact OD1-N 2.79Å
697	I	92.2	Very high	89	Confident	27 Å²	27	49.8 Å²	49.8	14%	0.138	26%	0.255	C	S	.	.			trans	-110.1	16.8	178.8	59.1	169.7	0	0	0	112.9	P575 F592 L600 L670 F672 V695 P700	P575-I697 HydrophobicContact CB-CB 4.08Å; P575-I697 HydrophobicContact CB-CG2 4.2Å; P575-I697 HydrophobicContact CG-CB 4.06Å; P575-I697 HydrophobicContact CG-CD1 3.83Å; P575-I697 HydrophobicContact CG-CG1 4.43Å; F592-I697 HydrophobicContact CD1-CD1 4.37Å; F592-I697 HydrophobicContact CE1-CD1 3.81Å; F592-I697 HydrophobicContact CE1-CG2 4.25Å; F592-I697 HydrophobicContact CE2-CG2 4.42Å; F592-I697 HydrophobicContact CZ-CD1 4.38Å; F592-I697 HydrophobicContact CZ-CG2 3.73Å; L600-I697 HydrophobicContact CD2-CD1 3.95Å; L670-I697 HydrophobicContact CB-CD1 4.47Å; L670-I697 HydrophobicContact CB-CG1 3.95Å; L670-I697 HydrophobicContact CD2-CD1 3.67Å; L670-I697 HydrophobicContact CD2-CG1 4.08Å; L670-I697 HydrophobicContact CG-CD1 4.17Å; L670-I697 HydrophobicContact CG-CG1 4.06Å; L670-I697 PolarHBondContact O-N 2.92Å; L670-I697 VanDerWaalsContact O-N 3.11Å; F672-I697 HydrophobicContact CE1-CD1 4.04Å; F672-I697 HydrophobicContact CE1-CG1 4.18Å; F672-I697 HydrophobicContact CE1-CG2 4.42Å; V695-I697 HydrophobicContact CG1-CG2 3.91Å; I697-P700 HydrophobicContact CD1-CG 4.36Å
698	G	91.8	Very high	88.8	Confident	18 Å²	18	46 Å²	46	19%	0.186	24%	0.238	C	C	.	.			trans	64.7	-141.9	-179.6	0	0	0	0	0	112	L670 N696 P700	L670-G698 WeakPolarHBondContact CB-O 3.47Å; L670-G698 PolarHBondContact N-O 2.96Å; N696-G698 PolarHBondContact OD1-N 2.79Å; G698-P700 VanDerWaalsContact O-CD 3.3Å; G698-P700 WeakPolarHBondContact O-CD 3.41Å
699	K	90.8	Very high	88.3	Confident	56 Å²	56	50.7 Å²	50.7	24%	0.243	25%	0.249	C	C	.	.	S	Bend	trans	-104.5	97.9	175.7	-74.3	-176.9	169.5	-176.6	0	109.9	R667 E668 A703 R704 D706	R667-K699 WeakPolarHBondContact O-CE 3.43Å; R667-K699 PolarHBondContact O-NZ 3.03Å; E668-K699 WeakPolarHBondContact O-CE 2.96Å; K699-A703 HydrophobicContact CB-CB 4.12Å; K699-R704 HydrophobicContact CB-CB 4.38Å; K699-D706 IonicContact NZ-OD1 2.8Å; K699-D706 PolarHBondContact NZ-OD1 3.13Å
700	P	91.1	Very high	86.9	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.026	27%	0.269	C	S	.	.			trans	-75.7	150.6	-177.7	31.8	-36.6	0	0	0	111.8	P575 L600 L663 L670 I697 G698 I702 A703	P575-P700 HydrophobicContact CG-CB 4.07Å; L600-P700 HydrophobicContact CD2-CB 4.25Å; L600-P700 HydrophobicContact CD2-CG 4.11Å; L663-P700 HydrophobicContact CD2-CG 4.43Å; L670-P700 HydrophobicContact CD2-CG 3.97Å; I697-P700 HydrophobicContact CD1-CG 4.36Å; G698-P700 VanDerWaalsContact O-CD 3.3Å; G698-P700 WeakPolarHBondContact O-CD 3.41Å; P700-I702 PolarHBondContact O-N 2.85Å; P700-A703 VanDerWaalsContact O-CB 3.25Å; P700-A703 WeakPolarHBondContact O-CB 3.34Å; P700-A703 PolarHBondContact O-N 2.97Å; P700-A703 VanDerWaalsContact O-N 3.13Å
701	L	90.8	Very high	85.2	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	49.8	-131.6	170.8	-53.1	175.3	0	0	0	112.7	A571 H572 E573 L574 A594 S597 L600 L663 A703 R704	A571-L701 CarbonylContact O-C 3.56Å; A571-L701 VanDerWaalsContact O-C 3.28Å; A571-L701 WeakPolarHBondContact O-CA 3.15Å; H572-L701 WeakPolarHBondContact O-CD2 3.39Å; E573-L701 PolarHBondContact O-N 3.11Å; L574-L701 HydrophobicContact CD2-CD1 4.38Å; L574-L701 HydrophobicContact CD2-CD2 3.87Å; L574-L701 HydrophobicContact CD2-CG 4.31Å; L574-L701 HydrophobicContact CG-CD2 4.07Å; A594-L701 HydrophobicContact CB-CD1 3.93Å; A594-L701 HydrophobicContact CB-CD2 4.17Å; S597-L701 WeakPolarHBondContact O-CB 3.47Å; L600-L701 HydrophobicContact CB-CD1 4.29Å; L600-L701 HydrophobicContact CD1-CD1 4.28Å; L663-L701 HydrophobicContact CD1-CB 4.21Å; L663-L701 HydrophobicContact CD1-CD1 3.81Å; L663-L701 HydrophobicContact CD1-CG 4.42Å; L701-A703 PolarHBondContact O-N 2.86Å; L701-A703 VanDerWaalsContact O-N 3.14Å; L701-R704 WeakPolarHBondContact O-CB 3.31Å; L701-R704 PolarHBondContact O-N 2.84Å
702	I	90.6	Very high	83.1	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.015	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-62.8	-21.7	-176.5	-155.5	70.5	0	0	0	114	V370 L372 A571 S597 N598 L663 Q664 P700 R704 L705 L707	V370-I702 HydrophobicContact CG1-CD1 3.79Å; L372-I702 HydrophobicContact CD2-CB 4.24Å; L372-I702 HydrophobicContact CD2-CD1 4.15Å; L372-I702 HydrophobicContact CD2-CG1 3.85Å; L372-I702 HydrophobicContact CD2-CG2 4.34Å; A571-I702 HydrophobicContact CB-CD1 4.06Å; A571-I702 PolarHBondContact O-N 3.47Å; S597-I702 VanDerWaalsContact O-CB 3.22Å; S597-I702 WeakPolarHBondContact O-CB 3.36Å; S597-I702 WeakPolarHBondContact O-CG2 3.49Å; S597-I702 PolarHBondContact O-N 3.48Å; N598-I702 HydrophobicContact CB-CG2 3.64Å; L663-I702 HydrophobicContact CB-CG2 4.23Å; Q664-I702 HydrophobicContact CB-CG2 4.03Å; P700-I702 PolarHBondContact O-N 2.85Å; I702-R704 PolarHBondContact O-N 3.49Å; I702-R704 VanDerWaalsContact O-N 3.07Å; I702-L705 HydrophobicContact CD1-CD1 3.71Å; I702-L705 HydrophobicContact CD1-CG 4.32Å; I702-L705 PolarHBondContact O-N 3.26Å; I702-L707 HydrophobicContact CD1-CD1 4.16Å; I702-L707 HydrophobicContact CG1-CD1 3.45Å; I702-L707 VanDerWaalsContact CG1-CD1 3.45Å; I702-L707 HydrophobicContact CG1-CG 4.14Å
703	A	88.9	Confident	80.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59	-26.3	-179.2	0	0	0	0	0	111.4	L663 L666 K699 P700 L701 L705 D706	L663-A703 WeakPolarHBondContact O-CB 3.44Å; L666-A703 HydrophobicContact CB-CB 4.23Å; L666-A703 HydrophobicContact CD2-CB 4.06Å; K699-A703 HydrophobicContact CB-CB 4.12Å; P700-A703 VanDerWaalsContact O-CB 3.25Å; P700-A703 WeakPolarHBondContact O-CB 3.34Å; P700-A703 PolarHBondContact O-N 2.97Å; P700-A703 VanDerWaalsContact O-N 3.13Å; L701-A703 PolarHBondContact O-N 2.86Å; L701-A703 VanDerWaalsContact O-N 3.14Å; A703-L705 PolarHBondContact O-N 3.35Å; A703-D706 PolarHBondContact O-N 2.91Å
704	R	87.6	Confident	78	Confident	112 Å²	112	66.2 Å²	66.2	42%	0.423	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-67.1	-16.1	177.4	-159.3	164.7	-177.7	178.5	-3	114.2	K570 E573 K699 L701 I702	K570-R704 HydrophobicContact CB-CG 4.26Å; K570-R704 WeakPolarHBondContact O-CB 3.28Å; K570-R704 WeakPolarHBondContact O-CD 3.23Å; E573-R704 IonicContact OE1-NH1 3.53Å; E573-R704 IonicContact OE2-CZ 2.84Å; E573-R704 IonicContact OE2-NH1 3.29Å; E573-R704 PolarHBondContact OE2-NH1 2.85Å; E573-R704 IonicContact OE2-NH2 2.75Å; K699-R704 HydrophobicContact CB-CB 4.38Å; L701-R704 WeakPolarHBondContact O-CB 3.31Å; L701-R704 PolarHBondContact O-N 2.84Å; I702-R704 PolarHBondContact O-N 3.49Å; I702-R704 VanDerWaalsContact O-N 3.07Å
705	L	82.9	Confident	75.5	Confident	24 Å²	24	63 Å²	63	13%	0.126	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-90.2	-2.7	176.8	-59.4	-168.5	0	0	0	113.6	E386 K570 A571 I702 A703 L707	E386-L705 HydrophobicContact CB-CD1 4.25Å; E386-L705 HydrophobicContact CG-CD1 4.02Å; K570-L705 HydrophobicContact CB-CD2 4.3Å; A571-L705 HydrophobicContact CB-CD1 3.95Å; A571-L705 HydrophobicContact CB-CG 4.24Å; I702-L705 HydrophobicContact CD1-CD1 3.71Å; I702-L705 HydrophobicContact CD1-CG 4.32Å; I702-L705 PolarHBondContact O-N 3.26Å; A703-L705 PolarHBondContact O-N 3.35Å; L705-L707 HydrophobicContact CB-CD2 4.18Å; L705-L707 HydrophobicContact CB-CG 4.4Å; L705-L707 PolarHBondContact O-N 2.85Å
706	D	79.4	Confident	73.1	Confident	32 Å²	32	64 Å²	64	17%	0.171	31%	0.309	C	S	.	.			trans	50.6	48.5	179.5	-66.5	-24.9	0	0	0	113.9	K699 A703 H708 R709	K699-D706 IonicContact NZ-OD1 2.8Å; K699-D706 PolarHBondContact NZ-OD1 3.13Å; A703-D706 PolarHBondContact O-N 2.91Å; D706-H708 PolarHBondContact O-N 2.86Å; D706-H708 IonicContact OD1-CE1 3.96Å; D706-R709 HydrophobicContact CB-CG 4.19Å; D706-R709 PolarHBondContact O-N 3.09Å; D706-R709 VanDerWaalsContact O-N 3.11Å; D706-R709 IonicContact OD2-CZ 2.85Å; D706-R709 IonicContact OD2-NE 3.23Å; D706-R709 PolarHBondContact OD2-NE 3.3Å; D706-R709 IonicContact OD2-NH2 2.91Å; D706-R709 PolarHBondContact OD2-NH2 3.41Å
707	L	80.3	Confident	70.8	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-6.9	-178.7	-62.2	-174	0	0	0	114.5	L372 N382 A383 E386 Q664 I702 L705	L372-L707 HydrophobicContact CD1-CD1 4.44Å; N382-L707 HydrophobicContact CB-CB 4.36Å; N382-L707 HydrophobicContact CB-CD2 3.95Å; N382-L707 PolarHBondContact ND2-O 2.82Å; A383-L707 HydrophobicContact CB-CD1 4.45Å; E386-L707 HydrophobicContact CG-CD2 3.99Å; Q664-L707 HydrophobicContact CB-CB 4.25Å; Q664-L707 HydrophobicContact CB-CD1 4.11Å; I702-L707 HydrophobicContact CD1-CD1 4.16Å; I702-L707 HydrophobicContact CG1-CD1 3.45Å; I702-L707 VanDerWaalsContact CG1-CD1 3.45Å; I702-L707 HydrophobicContact CG1-CG 4.14Å; L705-L707 HydrophobicContact CB-CD2 4.18Å; L705-L707 HydrophobicContact CB-CG 4.4Å; L705-L707 PolarHBondContact O-N 2.85Å
708	H	73.1	Confident	68.4	Low	58 Å²	58	68.9 Å²	68.9	27%	0.269	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.1	175.7	57	-93.9	0	0	0	113.8	L666 D706	L666-H708 PolarHBondContact O-CE1 3.31Å; L666-H708 VanDerWaalsContact O-CE1 3.26Å; L666-H708 PolarHBondContact O-ND1 2.77Å; D706-H708 PolarHBondContact O-N 2.86Å; D706-H708 IonicContact OD1-CE1 3.96Å
709	R	71.2	Confident	65.9	Low	147 Å²	147	72.2 Å²	72.2	56%	0.555	35%	0.348	S	S	*	.	S	Bend	trans	-63	139.9	179.1	-77.8	-175.4	-167.3	-155.7	6.5	111.3	N382 D706 V711	N382-R709 PolarHBondContact ND2-O 3.25Å; N382-R709 VanDerWaalsContact ND2-O 3.08Å; D706-R709 HydrophobicContact CB-CG 4.19Å; D706-R709 PolarHBondContact O-N 3.09Å; D706-R709 VanDerWaalsContact O-N 3.11Å; D706-R709 IonicContact OD2-CZ 2.85Å; D706-R709 IonicContact OD2-NE 3.23Å; D706-R709 PolarHBondContact OD2-NE 3.3Å; D706-R709 IonicContact OD2-NH2 2.91Å; D706-R709 PolarHBondContact OD2-NH2 3.41Å; R709-V711 PolarHBondContact O-N 2.83Å
710	A	58.8	Low	63.2	Low	91 Å²	91	73.7 Å²	73.7	75%	0.752	36%	0.364	S	S	*	.			trans	-52.9	128	169.9	0	0	0	0	0	109.4	R712	A710-R712 PolarHBondContact O-N 2.96Å; A710-R712 VanDerWaalsContact O-N 3.16Å
711	V	55.5	Low	60.4	Low	58 Å²	58	81.1 Å²	81.1	35%	0.352	40%	0.4	S	S	.	.			trans	-41.8	120.8	-177.3	179.8	0	0	0	0	109.8	R709 R713 S715	R709-V711 PolarHBondContact O-N 2.83Å; V711-R713 PolarHBondContact O-N 2.89Å; V711-S715 WeakPolarHBondContact CG1-OG 3.27Å
712	R	49.8	Very low	57.6	Low	176 Å²	176	88.1 Å²	88.1	66%	0.664	44%	0.435	S	S	*	.			trans	-55	137.7	-179.1	-69.3	-174.7	-174.1	-178.1	5.8	108.5	A710 N714 S715	A710-R712 PolarHBondContact O-N 2.96Å; A710-R712 VanDerWaalsContact O-N 3.16Å; R712-N714 PolarHBondContact O-N 3.07Å; R712-S715 WeakPolarHBondContact O-CB 3.4Å; R712-S715 PolarHBondContact O-N 3.37Å; R712-S715 PolarHBondContact O-OG 2.5Å
713	R	40.2	Very low	54.7	Low	238 Å²	238	92.5 Å²	92.5	90%	0.898	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-11.4	177.5	-85.5	-179.2	174.7	165.9	-1.5	114.6	V711	V711-R713 PolarHBondContact O-N 2.89Å
714	N	39.6	Very low	51.8	Low	159 Å²	159	100.9 Å²	100.9	85%	0.85	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	30.2	175.4	-63.7	-6.2	0	0	0	112.7	R712	R712-N714 PolarHBondContact O-N 3.07Å
715	S	42	Very low	48.9	Very low	26 Å²	26	100.8 Å²	100.8	18%	0.182	52%	0.519	C	S	.	.	S	Bend	trans	-76.3	168.9	174.4	77.2	0	0	0	0	111.8	D385 V711 R712 L717	D385-S715 WeakPolarHBondContact OD2-CB 3.07Å; V711-S715 WeakPolarHBondContact CG1-OG 3.27Å; R712-S715 WeakPolarHBondContact O-CB 3.4Å; R712-S715 PolarHBondContact O-N 3.37Å; R712-S715 PolarHBondContact O-OG 2.5Å; S715-L717 PolarHBondContact O-N 3.14Å
716	C	43.6	Very low	46.7	Very low	25 Å²	25	105 Å²	105	17%	0.169	55%	0.548	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	2	-177.6	48.5	0	0	0	0	119.7	D385 L437	D385-C716 WeakPolarHBondContact OD1-CB 3.34Å; D385-C716 PolarHBondContact OD1-SG 3.24Å; L437-C716 HydrophobicContact CD1-CB 3.29Å
717	L	47.2	Very low	44.3	Very low	56 Å²	56	108.6 Å²	108.6	29%	0.293	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.1	33.4	-158.8	-68.9	150.9	0	0	0	116.5	R381 S715 T719	R381-L717 HydrophobicContact CB-CD1 4.49Å; R381-L717 VanDerWaalsContact CD-CD1 3.46Å; R381-L717 HydrophobicContact CG-CD1 3.82Å; S715-L717 PolarHBondContact O-N 3.14Å; L717-T719 VanDerWaalsContact C-N 3.25Å
718	Q	41.9	Very low	41.6	Very low	158 Å²	158	117.7 Å²	117.7	74%	0.738	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	0.9	161.1	-101.3	-172.8	-4.8	0	0	114.1	C720	Q718-C720 VanDerWaalsContact C-N 3.34Å; Q718-C720 PolarHBondContact O-N 2.86Å
719	T	38.8	Very low	39.5	Very low	88 Å²	88	120.5 Å²	120.5	54%	0.54	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-3.2	-177.6	45.5	0	0	0	0	115.2	L717	L717-T719 VanDerWaalsContact C-N 3.25Å
720	C	34.6	Very low	38.1	Very low	86 Å²	86	118.4 Å²	118.4	58%	0.581	65%	0.649	S	S	*	*			trans	-107.7	53.9	169.9	-66	0	0	0	0	111.4	Q718	Q718-C720 VanDerWaalsContact C-N 3.34Å; Q718-C720 PolarHBondContact O-N 2.86Å
721	M	31.9	Very low	36.4	Very low	161 Å²	161	119.9 Å²	119.9	79%	0.793	65%	0.653	S	S	*	*			trans	-103.4	114	161.3	-72.5	-70	-78	0	0	108.4
722	M	30.8	Very low	35	Very low	149 Å²	149	125.2 Å²	125.2	73%	0.734	67%	0.673	S	S	*	*			trans	-102.5	155.1	165.8	-77.8	-65.7	177.5	0	0	110.5
723	P	29.5	Very low	33.8	Very low	95 Å²	95	122.2 Å²	122.2	62%	0.617	68%	0.679	S	S	*	*			trans	-89.6	136	-156.8	33.7	-33.2	0	0	0	115.1
724	H	29.5	Very low	33.4	Very low	176 Å²	176	117.1 Å²	117.1	82%	0.815	68%	0.677	S	S	*	*			trans	69.6	135.9	156.5	-47.1	-47.7	0	0	0	117.8
725	S	26.3	Very low	32.7	Very low	111 Å²	111	112.7 Å²	112.7	78%	0.776	67%	0.669	S	S	*	*				-174.1	-170.1	64.5	-57.6	0	0	0	0	111.5
726	P	37.5	Very low	32.2	Very low	113 Å²	113	117.1 Å²	117.1	73%	0.734	70%	0.697	S	S	*	*				-109.3	173.7	-91	35.2	-18.2	0	0	0	113.5
727	S	28.4	Very low	31.4	Very low	107 Å²	107	123.3 Å²	123.3	75%	0.748	72%	0.723	S	S	*	*			trans	63.8	100.8	159.6	59.9	0	0	0	0	118.2
728	Q	24.4	Very low	30.4	Very low	193 Å²	193	127.5 Å²	127.5	90%	0.902	74%	0.741	S	S	*	*				-165.3	119.4	117.8	-101	174	41.3	0	0	109.8
729	S	28	Very low	29.6	Very low	117 Å²	117	127 Å²	127	82%	0.818	74%	0.739	S	S	*	*			trans	-147.6	163	160.7	-41.5	0	0	0	0	105.4
730	P	41.6	Very low	28.9	Very low	104 Å²	104	130.1 Å²	130.1	68%	0.675	75%	0.747	S	S	*	*			cis	-139.5	176.5	0.2	36.9	-17.6	0	0	0	113.6
731	C	23.7	Very low	28.5	Very low	122 Å²	122	135.1 Å²	135.1	82%	0.824	76%	0.762	S	S	*	*			trans	-165.2	98.8	150.3	-90.2	0	0	0	0	108.5
732	H	24.9	Very low	28	Very low	170 Å²	170	135 Å²	135	79%	0.787	76%	0.763	S	S	*	*				87.9	110.8	86.7	-82.9	-59.4	0	0	0	114.9
733	S	25.9	Very low	27.8	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	77%	0.765	S	S	*	*			trans	-115	149.8	152.8	-47	0	0	0	0	107.9
734	P	31.3	Very low	27.6	Very low	131 Å²	131	139.4 Å²	139.4	85%	0.851	77%	0.773	S	S	*	*			trans	-83.3	142.2	-162.2	32.6	-33.1	0	0	0	113.3
735	G	24.8	Very low	27.2	Very low	66 Å²	66	134 Å²	134	68%	0.68	77%	0.765	S	S	*	*			trans	-74.3	178.8	161.7	0	0	0	0	0	111.8
736	P	32.1	Very low	27.1	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	76%	0.764	S	S	*	*				-145.5	167.5	84.2	36.9	-19.6	0	0	0	112.3
737	E	26.4	Very low	26.5	Very low	154 Å²	154	136 Å²	136	72%	0.72	76%	0.764	S	S	*	*			cis	-172.8	138.8	-6.8	-106.3	176	177.5	0	0	106.1
738	H	26.7	Very low	26.4	Very low	144 Å²	144	138.1 Å²	138.1	67%	0.667	76%	0.762	S	S	*	*			trans	71.6	139.3	135.1	-69	23.5	0	0	0	119.4
739	Q	25.5	Very low	26.3	Very low	149 Å²	149	134.5 Å²	134.5	70%	0.696	75%	0.749	S	S	*	*			cis	-165	141.8	9.2	-116.7	170.1	0.7	0	0	108.9
740	H	23.4	Very low	26.1	Very low	153 Å²	153	137.9 Å²	137.9	71%	0.708	75%	0.745	S	S	*	*			trans	27.4	127.2	145.7	-61.5	-54.7	0	0	0	121.8
741	H	25.1	Very low	25.2	Very low	191 Å²	191	138.7 Å²	138.7	88%	0.884	74%	0.744	S	S	*	*				-165	126.5	99.9	-92.5	-64.6	0	0	0	111.4
742	L	23.3	Very low	25.3	Very low	158 Å²	158	142.7 Å²	142.7	83%	0.827	74%	0.742	S	S	*	*			trans	-88.4	141.4	163.1	-86	151.4	0	0	0	108.4
743	H	24.9	Very low	25.2	Very low	166 Å²	166	141.4 Å²	141.4	77%	0.769	74%	0.74	S	S	*	*			trans	-166.8	133.7	130	-106.9	-49.3	0	0	0	114.6
744	H	25.4	Very low	25.4	Very low	170 Å²	170	141 Å²	141	79%	0.787	74%	0.737	S	S	*	*			trans	42.8	121.2	140.6	-85.8	-49.1	0	0	0	121.5
745	G	22	Very low	25.6	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	73%	0.727	S	S	*	*				88.1	122	103.1	0	0	0	0	0	118.1
746	S	24	Very low	25.7	Very low	109 Å²	109	144 Å²	144	76%	0.762	73%	0.731	S	S	*	*			trans	89.7	130.5	141.8	75.9	0	0	0	0	120.6
747	H	25.3	Very low	25.4	Very low	158 Å²	158	145.8 Å²	145.8	73%	0.731	73%	0.728	S	S	*	*			trans	66.9	119.6	140.7	-82.8	-73.3	0	0	0	121.8
748	Q	25	Very low	25.3	Very low	151 Å²	151	141.5 Å²	141.5	71%	0.706	73%	0.725	S	S	*	*			trans	73	124.6	130.8	-87.1	174.2	-24.1	0	0	120.4
749	D	23	Very low	25.1	Very low	116 Å²	116	144.3 Å²	144.3	62%	0.62	73%	0.731	S	S	*	*				95.3	124	125	-79.9	-8.1	0	0	0	121.2
750	Y	23.5	Very low	25	Very low	188 Å²	188	144.8 Å²	144.8	74%	0.737	74%	0.738	S	S	*	*			trans	68.3	116.3	140	-76.4	-64.9	0	0	0	120.6
751	N	24.1	Very low	25	Very low	121 Å²	121	145 Å²	145	65%	0.647	74%	0.739	S	S	*	*				70.4	116.5	125.6	-87.5	-19.2	0	0	0	119.4
752	R	23.7	Very low	25	Very low	207 Å²	207	142.8 Å²	142.8	78%	0.781	73%	0.732	S	S	*	*				84.9	137.7	117.7	-92.2	-173.9	-176.9	-168.8	0.9	118.9
753	L	24.8	Very low	25	Very low	142 Å²	142	139.7 Å²	139.7	74%	0.743	72%	0.723	S	S	*	*			trans	91	99.4	142.1	-69.4	157.3	0	0	0	116.5
754	S	29.8	Very low	25	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	73%	0.726	S	S	*	*				-26.8	154.9	126.2	-15.9	0	0	0	0	112.7
755	P	35.5	Very low	25	Very low	98 Å²	98	141.7 Å²	141.7	64%	0.636	73%	0.733	S	S	*	*				-149.2	152.5	90	38	-19.1	0	0	0	113.3
756	Q	26.1	Very low	25.2	Very low	163 Å²	163	142.8 Å²	142.8	76%	0.762	74%	0.736	S	S	*	*				63	146.5	111.7	-64.3	177.1	-16.5	0	0	114.6
757	H	25.9	Very low	25.3	Very low	155 Å²	155	147.2 Å²	147.2	72%	0.718	75%	0.745	S	S	*	*			cis	-169.1	148.4	1.7	-113.3	-45.5	0	0	0	103.7
758	G	24.1	Very low	25.3	Very low	64 Å²	64	143.5 Å²	143.5	66%	0.66	75%	0.749	S	S	*	*				147.1	115.3	110.4	0	0	0	0	0	107.7
759	Y	23.5	Very low	25.4	Very low	203 Å²	203	141.7 Å²	141.7	80%	0.796	76%	0.76	S	S	*	*				54.5	104.4	78.3	-87.7	-78	0	0	0	114.8
760	L	23.5	Very low	25.5	Very low	159 Å²	159	141.3 Å²	141.3	83%	0.832	77%	0.773	S	S	*	*				166.2	107	126.1	-88.2	154.5	0	0	0	107.5
761	H	22.8	Very low	25.5	Very low	159 Å²	159	136.1 Å²	136.1	74%	0.736	78%	0.777	S	S	*	*				71.6	136.3	70.2	-129.2	-69.9	0	0	0	115.1
762	I	24.6	Very low	25.4	Very low	144 Å²	144	134.1 Å²	134.1	74%	0.738	78%	0.784	S	S	*	*			trans	90.4	133	160.2	-55	169.8	0	0	0	115
763	S	23.7	Very low	25.4	Very low	92 Å²	92	130.2 Å²	130.2	64%	0.643	79%	0.787	S	S	*	*			cis	-174.1	152.7	-11.4	52.2	0	0	0	0	110.1
764	E	24.8	Very low	25.2	Very low	178 Å²	178	128.4 Å²	128.4	83%	0.832	79%	0.787	S	S	*	*			trans	35.9	134.7	140.5	-65.8	-175.7	146.3	0	0	123.6
765	H	24.4	Very low	24.9	Very low	200 Å²	200	133.1 Å²	133.1	93%	0.926	79%	0.794	S	S	*	*				-156.1	142.3	117.1	-111.1	-76.6	0	0	0	111.9
766	A	26	Very low	24.2	Very low	86 Å²	86	133.2 Å²	133.2	71%	0.711	80%	0.797	S	S	*	*			trans	-113.7	172.8	179.9	0	0	0	0	0	112.4
767	Q	28.1	Very low	24	Very low	202 Å²	202	130.6 Å²	130.6	94%	0.944	80%	0.796	S	S	*	*			trans	119.7	127.6	169.8	-71.4	177.8	-2.4	0	0	111
768	G	25.2	Very low	23.8	Very low	80 Å²	80	133.3 Å²	133.3	83%	0.825	80%	0.801	S	S	*	*			cis	124.5	119.8	9.8	0	0	0	0	0	110.1
769	A	25.6	Very low	23.7	Very low	114 Å²	114	136.5 Å²	136.5	94%	0.942	80%	0.803	S	S	*	*			trans	170.1	158.9	148	0	0	0	0	0	113.2
770	A	25.4	Very low	23.7	Very low	108 Å²	108	135.4 Å²	135.4	89%	0.893	81%	0.805	S	S	*	*			trans	-107.7	175.9	-158.9	0	0	0	0	0	115.5
771	G	23.8	Very low	23.6	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	80%	0.802	S	S	*	*			trans	126.9	119.5	164.6	0	0	0	0	0	111.9
772	G	22.5	Very low	23.6	Very low	78 Å²	78	133.3 Å²	133.3	80%	0.804	81%	0.809	S	S	*	*			cis	91.2	86.3	20.7	0	0	0	0	0	111
773	C	22.7	Very low	23.5	Very low	125 Å²	125	133.9 Å²	133.9	85%	0.845	81%	0.809	S	S	*	*			trans	-165.4	120	155.1	-117.7	0	0	0	0	113.1
774	S	21	Very low	23.4	Very low	104 Å²	104	136 Å²	136	73%	0.727	82%	0.822	S	S	*	*			trans	-73.5	147.5	163.5	47.6	0	0	0	0	112.1
775	F	23.1	Very low	23.2	Very low	205 Å²	205	133.8 Å²	133.8	90%	0.899	82%	0.816	S	S	*	*			trans	-147.7	123.2	152.3	-101.1	-81	0	0	0	111.2
776	S	20.9	Very low	23.1	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	81%	0.81	S	S	*	*			trans	-100.7	153.3	162.2	52.8	0	0	0	0	109.4
777	C	21.4	Very low	22.9	Very low	108 Å²	108	135.5 Å²	135.5	73%	0.73	81%	0.812	S	S	*	*			trans	171.9	121.5	139.1	-89.7	0	0	0	0	109
778	Y	22.8	Very low	22.6	Very low	212 Å²	212	136.7 Å²	136.7	83%	0.831	81%	0.808	S	S	*	*				60.7	131.6	104.5	-75.8	-80.7	0	0	0	113
779	D	22.4	Very low	22.5	Very low	132 Å²	132	137.7 Å²	137.7	71%	0.706	81%	0.809	S	S	*	*			cis	-164.2	165.9	38.1	-111.3	-34	0	0	0	105.8
780	Q	22.8	Very low	22.3	Very low	180 Å²	180	142.6 Å²	142.6	84%	0.841	80%	0.804	S	S	*	*				-175.9	132.8	59.2	-141.2	160.5	26.8	0	0	110.4
781	L	22.1	Very low	22.2	Very low	145 Å²	145	146.8 Å²	146.8	76%	0.759	81%	0.805	S	S	*	*			trans	-78.5	157	167.4	-83	138.4	0	0	0	111.2
782	S	23.3	Very low	22.2	Very low	128 Å²	128	148 Å²	148	90%	0.895	80%	0.801	S	S	*	*			trans	-140.9	112.2	151	-71.6	0	0	0	0	109.3
783	Q	21.2	Very low	22.2	Very low	156 Å²	156	152.1 Å²	152.1	73%	0.729	81%	0.805	S	S	*	*			trans	-82.2	152.5	171.2	-72.6	168	-62.5	0	0	110.6
784	C	21.6	Very low	22.2	Very low	137 Å²	137	149.3 Å²	149.3	93%	0.926	80%	0.797	S	S	*	*			trans	-146.8	116.2	141.1	-87.7	0	0	0	0	109
785	D	20.5	Very low	22.4	Very low	131 Å²	131	152.6 Å²	152.6	70%	0.701	81%	0.806	S	S	*	*			trans	-74.9	150.5	166.2	-75.4	-49.8	0	0	0	111
786	F	23	Very low	22.4	Very low	181 Å²	181	151.6 Å²	151.6	79%	0.794	81%	0.808	S	S	*	*				175.5	127.4	112.7	-111.4	-96.1	0	0	0	113.9
787	D	22.4	Very low	22.5	Very low	142 Å²	142	152.4 Å²	152.4	76%	0.759	81%	0.814	S	S	*	*			trans	72.4	137.6	141.1	-81.6	-12.3	0	0	0	126.7
788	R	21.8	Very low	22.6	Very low	227 Å²	227	152.7 Å²	152.7	86%	0.857	82%	0.817	S	S	*	*			trans	-66	149	-177.4	-71.9	169.8	158.1	168.8	-6	115.1
789	A	22.7	Very low	22.7	Very low	101 Å²	101	148.7 Å²	148.7	84%	0.835	82%	0.818	S	S	*	*			trans	-153.6	131.8	132.2	0	0	0	0	0	111
790	Y	21.9	Very low	22.8	Very low	217 Å²	217	145.2 Å²	145.2	85%	0.851	81%	0.813	S	S	*	*			trans	-71	133.4	169.5	-93.4	-101.8	0	0	0	109.8
791	E	22.8	Very low	22.9	Very low	196 Å²	196	146.4 Å²	146.4	92%	0.916	82%	0.815	S	S	*	*			trans	-156.5	140.3	141.9	-115.1	169.1	-161.4	0	0	110.5
792	S	22.8	Very low	23	Very low	104 Å²	104	146.8 Å²	146.8	73%	0.727	82%	0.817	S	S	*	*			trans	-88.5	133.1	-170	95.9	0	0	0	0	109.4
793	D	22.7	Very low	23.2	Very low	164 Å²	164	144.7 Å²	144.7	88%	0.877	80%	0.802	S	S	*	*			trans	-166.1	133.2	139	-99.6	-22.1	0	0	0	110.9
794	G	23.6	Very low	23.5	Very low	66 Å²	66	144.1 Å²	144.1	68%	0.68	80%	0.803	S	S	*	*			trans	-78.8	151	-171.8	0	0	0	0	0	113.6
795	L	23.6	Very low	24.2	Very low	174 Å²	174	142.4 Å²	142.4	91%	0.911	79%	0.79	S	S	*	*			trans	-169.4	126.5	143.8	-99.4	149.8	0	0	0	108.5	S797	L795-S797 PolarHBondContact O-N 2.89Å
796	L	23.9	Very low	25.5	Very low	183 Å²	183	137.7 Å²	137.7	96%	0.958	77%	0.765	S	S	*	*			trans	-53.5	122.2	177.6	-74.7	131.1	0	0	0	111.2
797	S	22.4	Very low	27	Very low	117 Å²	117	133.8 Å²	133.8	82%	0.818	75%	0.749	S	S	*	*			trans	-114.6	120.1	166.3	51.6	0	0	0	0	110	L795	L795-S797 PolarHBondContact O-N 2.89Å
798	S	23.5	Very low	28.6	Very low	113 Å²	113	128.4 Å²	128.4	79%	0.79	72%	0.724	S	S	*	*			trans	-76.4	138.9	174	163	0	0	0	0	110.7
799	P	25.6	Very low	30.2	Very low	129 Å²	129	118.4 Å²	118.4	84%	0.838	69%	0.688	S	S	*	*			trans	-98.7	125.5	163.4	33.6	-23.6	0	0	0	110.7
800	G	24.4	Very low	31.5	Very low	59 Å²	59	122.5 Å²	122.5	61%	0.608	69%	0.69	S	S	*	*			trans	150.7	78.8	166.8	0	0	0	0	0	113.1	L802	G800-L802 PolarHBondContact O-N 2.91Å
801	K	24.3	Very low	32.8	Very low	205 Å²	205	113.4 Å²	113.4	89%	0.891	66%	0.656	S	S	*	*			trans	-61.5	106.2	167.5	-78.1	-177.6	175.8	-177.6	0	108.7
802	L	25.1	Very low	34.1	Very low	152 Å²	152	106.2 Å²	106.2	80%	0.796	62%	0.623	S	S	*	*			trans	-74.6	137.4	168	-81.8	142.5	0	0	0	109.7	G800 I804	G800-L802 PolarHBondContact O-N 2.91Å; L802-I804 PolarHBondContact O-N 3.22Å
803	S	26.9	Very low	34.9	Very low	84 Å²	84	107.1 Å²	107.1	59%	0.587	62%	0.62	S	S	*	*			trans	-4.7	110.3	164.3	51.6	0	0	0	0	116.5
804	I	28	Very low	35.9	Very low	144 Å²	144	104.9 Å²	104.9	74%	0.738	61%	0.605	S	S	*	*			trans	-81.9	132.3	178.4	-56.7	170.6	0	0	0	109.3	L802	L802-I804 PolarHBondContact O-N 3.22Å
805	P	35.7	Very low	36.9	Very low	101 Å²	101	103 Å²	103	66%	0.656	58%	0.579	S	S	*	*	S	Bend	trans	-77.8	147	171.4	32.3	-30.7	0	0	0	110.4
806	I	47.9	Very low	37.6	Very low	33 Å²	33	100.8 Å²	100.8	17%	0.169	56%	0.564	C	S	.	*	S	Bend	trans	40.6	109.6	168.1	-55.8	172.5	0	0	0	115	Y356 L647 A808	Y356-I806 HydrophobicContact CE2-CD1 3.73Å; Y356-I806 WeakPolarHBondContact OH-CD1 3.36Å; L647-I806 HydrophobicContact CD2-CD1 3.79Å; L647-I806 HydrophobicContact CD2-CG2 3.58Å; I806-A808 PolarHBondContact O-N 3.44Å
807	E	55.2	Low	38.2	Very low	99 Å²	99	94.7 Å²	94.7	46%	0.463	54%	0.539	S	S	.	.			trans	-67.3	111.1	-178.7	-59	175.8	-163.9	0	0	109.5	H572 L574 A594	H572-E807 VanDerWaalsContact O-OE2 3.09Å; L574-E807 VanDerWaalsContact CD1-C 3.49Å; L574-E807 HydrophobicContact CD1-CB 3.56Å; L574-E807 WeakPolarHBondContact CD1-O 3.11Å; A594-E807 PolarHBondContact N-O 3.1Å
808	A	55.4	Low	39	Very low	29 Å²	29	93 Å²	93	24%	0.24	52%	0.524	C	S	.	.	B	Isolated β-bridge	trans	-117.6	147.1	156.3	0	0	0	0	0	105.8	A593 I806 I812	A593-A808 HydrophobicContact CB-CB 4.26Å; I806-A808 PolarHBondContact O-N 3.44Å; A808-I812 HydrophobicContact CB-CD1 3.41Å; A808-I812 VanDerWaalsContact CB-CD1 3.41Å; A808-I812 HydrophobicContact CB-CG1 4.28Å
809	T	55.4	Low	39.7	Very low	17 Å²	17	93.2 Å²	93.2	10%	0.104	51%	0.511	C	S	.	.			trans	-51.3	142.1	173.5	45.3	0	0	0	0	110.7	P575 S577 F592 Y603 D811	P575-T809 WeakPolarHBondContact O-CG2 3.35Å; S577-T809 WeakPolarHBondContact OG-CB 3.11Å; S577-T809 PolarHBondContact OG-OG1 2.77Å; F592-T809 HydrophobicContact CB-CG2 4.34Å; F592-T809 PolarHBondContact O-N 3.28Å; F592-T809 PolarHBondContact O-OG1 3.28Å; Y603-T809 PolarHBondContact OH-OG1 3.48Å; T809-D811 PolarHBondContact O-N 3.44Å
810	E	49.2	Very low	40.1	Very low	186 Å²	186	92.8 Å²	92.8	87%	0.869	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	6.2	-166.7	-65.9	-169.9	147.4	0	0	117.2
811	D	50	Low	40.5	Very low	26 Å²	26	93.7 Å²	93.7	14%	0.139	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.9	-169.6	-72.2	-47	0	0	0	116.4	S577 K589 T809 N813 E814 L815	S577-D811 WeakPolarHBondContact CB-OD2 3.37Å; S577-D811 PolarHBondContact OG-OD2 3.09Å; K589-D811 WeakPolarHBondContact CE-OD1 3.32Å; K589-D811 WeakPolarHBondContact CE-OD2 3.42Å; K589-D811 IonicContact NZ-OD1 3.58Å; K589-D811 PolarHBondContact NZ-OD1 2.88Å; K589-D811 IonicContact NZ-OD2 2.75Å; K589-D811 PolarHBondContact NZ-OD2 2.76Å; T809-D811 PolarHBondContact O-N 3.44Å; D811-N813 PolarHBondContact O-N 2.62Å; D811-E814 PolarHBondContact O-N 2.93Å; D811-L815 PolarHBondContact O-N 3.23Å; D811-L815 VanDerWaalsContact O-N 3.09Å
812	I	50	Low	40.9	Very low	45 Å²	45	88.1 Å²	88.1	23%	0.231	48%	0.484	C	S	.	.	H	α-helix	trans	-59.6	-37.8	-179.3	-67.3	171.4	0	0	0	110.7	S650 P652 A808 Q816	S650-I812 WeakPolarHBondContact O-CD1 3.09Å; P652-I812 HydrophobicContact CG-CG1 4.31Å; A808-I812 HydrophobicContact CB-CD1 3.41Å; A808-I812 VanDerWaalsContact CB-CD1 3.41Å; A808-I812 HydrophobicContact CB-CG1 4.28Å; I812-Q816 PolarHBondContact O-N 3.43Å
813	N	39.9	Very low	41.3	Very low	123 Å²	123	86.4 Å²	86.4	66%	0.658	48%	0.475	S	S	*	.	H	α-helix	trans	-75.6	-34	179.8	-68.5	-30.3	0	0	0	112.8	D811 A817	D811-N813 PolarHBondContact O-N 2.62Å; N813-A817 WeakPolarHBondContact O-CB 3.37Å; N813-A817 PolarHBondContact O-N 3.4Å; N813-A817 VanDerWaalsContact O-N 3.1Å
814	E	43.1	Very low	41.9	Very low	118 Å²	118	89.8 Å²	89.8	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-69.9	-39.9	177.3	-77.2	-166	162.4	0	0	112	K589 D811 A817 V818	K589-E814 IonicContact NZ-OE2 3.14Å; D811-E814 PolarHBondContact O-N 2.93Å; E814-A817 PolarHBondContact O-N 3.41Å; E814-V818 VanDerWaalsContact O-CG2 3.27Å; E814-V818 WeakPolarHBondContact O-CG2 3.39Å; E814-V818 PolarHBondContact O-N 3.3Å
815	L	44.4	Very low	42	Very low	26 Å²	26	90.6 Å²	90.6	14%	0.136	49%	0.486	C	S	.	.	H	α-helix	trans	-68.3	-34.7	179.4	-74.4	167.4	0	0	0	112.4	K589 P652 D811 F819	K589-L815 HydrophobicContact CD-CD1 4.5Å; K589-L815 HydrophobicContact CD-CD2 4.26Å; P652-L815 HydrophobicContact CB-CD1 3.9Å; P652-L815 HydrophobicContact CG-CD1 3.87Å; D811-L815 PolarHBondContact O-N 3.23Å; D811-L815 VanDerWaalsContact O-N 3.09Å; L815-F819 PolarHBondContact O-N 3.16Å
816	Q	38.5	Very low	41.5	Very low	128 Å²	128	93.7 Å²	93.7	60%	0.598	49%	0.492	S	S	*	.	H	α-helix	trans	-68.8	-36.9	170.7	-76.7	-176.3	-15.5	0	0	112.4	I812 F819 I820	I812-Q816 PolarHBondContact O-N 3.43Å; Q816-F819 PolarHBondContact O-N 2.67Å; Q816-I820 PolarHBondContact O-N 3.01Å
817	A	36.1	Very low	41	Very low	54 Å²	54	97.9 Å²	97.9	45%	0.446	52%	0.522	S	S	.	.	H	α-helix	trans	-70.5	-37.1	178.8	0	0	0	0	0	112.9	N813 E814 F819 I820 S821	N813-A817 WeakPolarHBondContact O-CB 3.37Å; N813-A817 PolarHBondContact O-N 3.4Å; N813-A817 VanDerWaalsContact O-N 3.1Å; E814-A817 PolarHBondContact O-N 3.41Å; A817-F819 VanDerWaalsContact C-N 3.27Å; A817-F819 PolarHBondContact O-N 3.21Å; A817-I820 PolarHBondContact O-N 3.33Å; A817-S821 PolarHBondContact O-N 3.12Å; A817-S821 PolarHBondContact O-OG 3.19Å
818	V	40.9	Very low	39.9	Very low	82 Å²	82	105.6 Å²	105.6	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-63.3	-33.6	175.6	173	0	0	0	0	111	E814 S821 S822	E814-V818 VanDerWaalsContact O-CG2 3.27Å; E814-V818 WeakPolarHBondContact O-CG2 3.39Å; E814-V818 PolarHBondContact O-N 3.3Å; V818-S821 WeakPolarHBondContact CA-OG 3.35Å; V818-S821 PolarHBondContact O-OG 3.17Å; V818-S822 WeakPolarHBondContact O-CB 3.47Å; V818-S822 PolarHBondContact O-N 3.09Å; V818-S822 PolarHBondContact O-OG 3.44Å
819	F	36.5	Very low	39.2	Very low	118 Å²	118	109.5 Å²	109.5	52%	0.518	57%	0.574	S	S	.	*	H	α-helix	trans	-71.7	-41.5	175.1	-170.9	-103.7	0	0	0	113.1	L815 Q816 A817 S821 S822 L823	L815-F819 PolarHBondContact O-N 3.16Å; Q816-F819 PolarHBondContact O-N 2.67Å; A817-F819 VanDerWaalsContact C-N 3.27Å; A817-F819 PolarHBondContact O-N 3.21Å; F819-S821 VanDerWaalsContact C-N 3.27Å; F819-S821 PolarHBondContact O-N 2.69Å; F819-S822 PolarHBondContact O-N 2.97Å; F819-S822 VanDerWaalsContact O-N 3.16Å; F819-L823 HydrophobicContact CD1-CD1 3.93Å; F819-L823 HydrophobicContact CE1-CD1 3.54Å; F819-L823 HydrophobicContact CE1-CG 4.48Å; F819-L823 HydrophobicContact CZ-CD1 4.08Å; F819-L823 PolarHBondContact O-N 2.84Å
820	I	35.5	Very low	38.3	Very low	119 Å²	119	114.3 Å²	114.3	61%	0.61	60%	0.598	S	S	*	*	H	α-helix	trans	-64.1	-36.2	175.8	-65.7	173.7	0	0	0	110.9	Q816 A817 L823	Q816-I820 PolarHBondContact O-N 3.01Å; A817-I820 PolarHBondContact O-N 3.33Å; I820-L823 PolarHBondContact O-N 3.48Å
821	S	32.8	Very low	37.7	Very low	79 Å²	79	110.3 Å²	110.3	55%	0.552	58%	0.583	S	S	*	*	H	α-helix	trans	-78.2	-20.8	175.5	41.8	0	0	0	0	113.7	A817 V818 F819 L823	A817-S821 PolarHBondContact O-N 3.12Å; A817-S821 PolarHBondContact O-OG 3.19Å; V818-S821 WeakPolarHBondContact CA-OG 3.35Å; V818-S821 PolarHBondContact O-OG 3.17Å; F819-S821 VanDerWaalsContact C-N 3.27Å; F819-S821 PolarHBondContact O-N 2.69Å; S821-L823 VanDerWaalsContact C-N 3.33Å
822	S	32.8	Very low	37	Very low	87 Å²	87	115.3 Å²	115.3	61%	0.608	61%	0.609	S	S	*	*	H	α-helix	trans	-76.4	-17.7	170.3	-56.2	0	0	0	0	113.5	V818 F819	V818-S822 WeakPolarHBondContact O-CB 3.47Å; V818-S822 PolarHBondContact O-N 3.09Å; V818-S822 PolarHBondContact O-OG 3.44Å; F819-S822 PolarHBondContact O-N 2.97Å; F819-S822 VanDerWaalsContact O-N 3.16Å
823	L	32.2	Very low	36.2	Very low	116 Å²	116	119.7 Å²	119.7	61%	0.607	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	3.4	176	-78.8	165	0	0	0	113.4	F819 I820 S821	F819-L823 HydrophobicContact CD1-CD1 3.93Å; F819-L823 HydrophobicContact CE1-CD1 3.54Å; F819-L823 HydrophobicContact CE1-CG 4.48Å; F819-L823 HydrophobicContact CZ-CD1 4.08Å; F819-L823 PolarHBondContact O-N 2.84Å; I820-L823 PolarHBondContact O-N 3.48Å; S821-L823 VanDerWaalsContact C-N 3.33Å
824	H	39.5	Very low	35.9	Very low	155 Å²	155	119.5 Å²	119.5	72%	0.718	63%	0.631	S	S	*	*			trans	-126.9	85.7	177.7	-86.1	23.2	0	0	0	111.5
825	L	29.9	Very low	35.4	Very low	161 Å²	161	119.6 Å²	119.6	84%	0.843	64%	0.637	S	S	*	*			trans	176.9	123.6	147.2	-92.2	148.9	0	0	0	105.8
826	Q	27.1	Very low	34.7	Very low	167 Å²	167	126.8 Å²	126.8	78%	0.78	68%	0.676	S	S	*	*			cis	-147.4	157	33.9	-68.4	178.6	-50.1	0	0	112.1
827	P	36.3	Very low	34.4	Very low	121 Å²	121	126.7 Å²	126.7	79%	0.786	68%	0.682	S	S	*	*			trans	-75.2	126.2	158.2	31	-28	0	0	0	110.6
828	Q	33	Very low	34.2	Very low	261 Å²	261	133.3 Å²	133.3	100%	1.22	70%	0.704	S	S	*	*			trans	-132.3	0	142.2	-81.6	-159.6	-1.7	0	0	108.9

Retrieved 828 of 828 residues in 858.6 ms (Link to these results)

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