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SMAD family member 4

In muscle physiology, plays a central role in the balance between atrophy and hypertrophy. When recruited by MSTN, promotes atrophy response via phosphorylated SMAD2/4. MSTN decrease causes SMAD4 release and subsequent recruitment by the BMP pathway to promote hypertrophy via phosphorylated SMAD1/5/8. Acts synergistically with SMAD1 and YY1 in bone morphogenetic protein (BMP)-mediated cardiac-specific gene expression. Binds to SMAD binding elements (SBEs) (5'-GTCT/AGAC-3') within BMP response element (BMPRE) of cardiac activating regions (By similarity). Common SMAD (co-SMAD) is the coactivator and mediator of signal transduction by TGF-beta (transforming growth factor). Component of the heterotrimeric SMAD2/SMAD3-SMAD4 complex that forms in the nucleus and is required for the TGF-mediated signaling¹. Promotes binding of the SMAD2/SMAD4/FAST-1 complex to DNA and provides an activation function required for SMAD1 or SMAD2 to stimulate transcription. Component of the multimeric SMAD3/SMAD4/JUN/FOS complex which forms at the AP1 promoter site; required for synergistic transcriptional activity in response to TGF-beta. May act as a tumor suppressor. Positively regulates PDPK1 kinase activity by stimulating its dissociation from the 14-3-3 protein YWHAQ which acts as a negative regulator.

AlphaFold DB , UniProt , Accession Q13485, Species HUMAN (Homo sapiens, Human), Gene SMAD4, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	54.5	Low	237 Å²	237	120.6 Å²	120.6	100%	1.167	66%	0.662	S	S	*	*				0	104.1	0	-75.1	166.6	174.9	0	0	106.5
2	D	35.6	Very low	57.6	Low	148 Å²	148	111.7 Å²	111.7	79%	0.791	61%	0.614	S	S	*	*			trans	46.3	80.5	159.3	-48.1	-18.5	0	0	0	118.4	M4	D2-M4 VanDerWaalsContact C-N 3.29Å; D2-M4 PolarHBondContact O-N 2.83Å
3	N	34.9	Very low	60.2	Low	168 Å²	168	112.1 Å²	112.1	90%	0.898	62%	0.615	S	S	*	*			trans	-78	73.2	167.7	-163.6	77.6	0	0	0	110.4	S5	N3-S5 PolarHBondContact O-N 2.87Å
4	M	44.2	Very low	62.4	Low	167 Å²	167	108.9 Å²	108.9	82%	0.823	60%	0.597	S	S	*	*			trans	-73.9	114	172.1	-78.5	-168.1	-171.7	0	0	110.6	D2 I6	D2-M4 VanDerWaalsContact C-N 3.29Å; D2-M4 PolarHBondContact O-N 2.83Å; M4-I6 PolarHBondContact O-N 3.39Å
5	S	36	Very low	64.5	Low	89 Å²	89	106.4 Å²	106.4	62%	0.622	60%	0.596	S	S	*	*			trans	-60.2	117.7	171.3	50.3	0	0	0	0	111.1	N3 T7	N3-S5 PolarHBondContact O-N 2.87Å; S5-T7 PolarHBondContact O-N 3.34Å
6	I	45	Very low	66.2	Low	96 Å²	96	103 Å²	103	49%	0.492	58%	0.581	S	S	.	*			trans	-72.7	94.8	171.8	-61.2	173.4	0	0	0	107.9	M4 C25	M4-I6 PolarHBondContact O-N 3.39Å; I6-C25 HydrophobicContact CD1-CB 4.25Å
7	T	51.7	Low	67.8	Low	114 Å²	114	105 Å²	105	70%	0.699	59%	0.589	S	S	*	*			trans	-109.7	0.7	179.2	55.3	0	0	0	0	114.2	S5	S5-T7 PolarHBondContact O-N 3.34Å
8	N	66	Low	69.2	Low	142 Å²	142	102.6 Å²	102.6	76%	0.759	58%	0.58	S	S	*	*	S	Bend	trans	-132.5	129.2	170.6	-80.7	-23.5	0	0	0	109.7
9	T	77.7	Confident	70.6	Confident	94 Å²	94	97.2 Å²	97.2	58%	0.577	55%	0.55	S	S	*	.			trans	-67	129.2	166.9	-49.6	0	0	0	0	108.7	I58 T62	T9-I58 HydrophobicContact CG2-CG2 4.07Å; T9-T62 HydrophobicContact CG2-CG2 4.14Å
10	P	83.9	Confident	71.9	Confident	14 Å²	14	92.8 Å²	92.8	9%	0.091	53%	0.525	C	S	.	.			trans	-70.9	169.2	179.7	30.1	-35	0	0	0	111.9	D14 I19 S22 I58	P10-D14 HydrophobicContact CB-CB 4.45Å; P10-I19 HydrophobicContact CB-CG1 4.43Å; P10-S22 WeakPolarHBondContact CG-OG 3.32Å; P10-I58 HydrophobicContact CG-CG2 3.92Å; P10-I58 WeakPolarHBondContact O-CG2 3.41Å
11	T	90.8	Very high	72.9	Confident	58 Å²	58	94 Å²	94	36%	0.356	53%	0.526	S	S	.	.			trans	-129.4	168.3	177.4	66.8	0	0	0	0	110.4	N13 D14 I19 D55	T11-N13 PolarHBondContact O-N 3.18Å; T11-N13 PolarHBondContact OG1-N 3.09Å; T11-D14 PolarHBondContact N-OD2 3.42Å; T11-D14 WeakPolarHBondContact O-CB 3.35Å; T11-D14 PolarHBondContact O-N 3.28Å; T11-D14 PolarHBondContact OG1-OD2 3.14Å; T11-I19 VanDerWaalsContact O-CD1 3.31Å; T11-I19 WeakPolarHBondContact O-CD1 3.43Å; T11-D55 WeakPolarHBondContact CA-OD1 3.39Å
12	S	91.4	Very high	75.7	Confident	13 Å²	13	83.1 Å²	83.1	9%	0.091	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.4	173.6	67.2	0	0	0	0	114.7	K51 D55	S12-K51 WeakPolarHBondContact OG-CB 3.27Å; S12-D55 VanDerWaalsContact CB-CG 3.5Å; S12-D55 WeakPolarHBondContact CB-OD1 3.39Å; S12-D55 WeakPolarHBondContact CB-OD2 3.45Å; S12-D55 PolarHBondContact N-OD1 3.46Å; S12-D55 VanDerWaalsContact OG-CG 3.31Å; S12-D55 PolarHBondContact OG-OD1 3.49Å; S12-D55 PolarHBondContact OG-OD2 2.88Å
13	N	92	Very high	78.6	Confident	117 Å²	117	76 Å²	76	63%	0.626	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-15	173.9	-63.5	-54.9	0	0	0	113.3	T11 K51	T11-N13 PolarHBondContact O-N 3.18Å; T11-N13 PolarHBondContact OG1-N 3.09Å; N13-K51 PolarHBondContact OD1-NZ 3.33Å
14	D	91.2	Very high	81.5	Confident	68 Å²	68	69.2 Å²	69.2	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-72	158.6	179.4	-72.8	-72.3	0	0	0	112.6	P10 T11 C16 I19	P10-D14 HydrophobicContact CB-CB 4.45Å; T11-D14 PolarHBondContact N-OD2 3.42Å; T11-D14 WeakPolarHBondContact O-CB 3.35Å; T11-D14 PolarHBondContact O-N 3.28Å; T11-D14 PolarHBondContact OG1-OD2 3.14Å; D14-C16 PolarHBondContact O-N 3.18Å; D14-I19 HydrophobicContact CB-CD1 4.39Å; D14-I19 HydrophobicContact CB-CG1 4.03Å; D14-I19 WeakPolarHBondContact O-CD1 3.24Å
15	A	92.8	Very high	83.8	Confident	71 Å²	71	64.5 Å²	64.5	59%	0.587	38%	0.381	S	S	*	.			trans	-58.3	133.9	175.9	0	0	0	0	0	110.4	L17 S18 I19	A15-L17 PolarHBondContact O-N 3.09Å; A15-S18 WeakPolarHBondContact O-CA 3.49Å; A15-S18 WeakPolarHBondContact O-CB 3.47Å; A15-S18 PolarHBondContact O-N 3.49Å; A15-I19 PolarHBondContact O-N 3.44Å
16	C	92.4	Very high	86.5	Confident	52 Å²	52	63.4 Å²	63.4	35%	0.351	37%	0.366	S	S	.	.	H	α-helix	trans	-52.9	-31.8	-175.5	-56.1	0	0	0	0	113.5	D14 I19 V20 V44	D14-C16 PolarHBondContact O-N 3.18Å; C16-I19 PolarHBondContact O-N 2.95Å; C16-V20 WeakPolarHBondContact O-CB 3.37Å; C16-V20 WeakPolarHBondContact O-CG2 3.39Å; C16-V20 PolarHBondContact O-N 2.92Å; C16-V44 HydrophobicContact CB-CG1 3.97Å
17	L	92.7	Very high	88.7	Confident	137 Å²	137	63.4 Å²	63.4	72%	0.717	36%	0.36	S	S	*	.	H	α-helix	trans	-65	-37.4	175.3	-66.8	174.7	0	0	0	113	A15 H21	A15-L17 PolarHBondContact O-N 3.09Å; L17-H21 WeakPolarHBondContact O-CB 3.31Å; L17-H21 PolarHBondContact O-N 3.42Å
18	S	93.7	Very high	90.3	Very high	61 Å²	61	62.5 Å²	62.5	43%	0.427	35%	0.347	S	S	.	.	H	α-helix	trans	-68.3	-44.5	176.1	-170.7	0	0	0	0	111	A15 V20 H21 S22	A15-S18 WeakPolarHBondContact O-CA 3.49Å; A15-S18 WeakPolarHBondContact O-CB 3.47Å; A15-S18 PolarHBondContact O-N 3.49Å; S18-V20 PolarHBondContact O-N 2.91Å; S18-H21 WeakPolarHBondContact O-CB 3.27Å; S18-H21 PolarHBondContact O-N 3.35Å; S18-S22 PolarHBondContact O-N 3.47Å
19	I	95.1	Very high	90.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-47.4	175	-56.3	174.5	0	0	0	110.5	P10 T11 D14 A15 C16 H21 S22 L23 V44 L54 I58	P10-I19 HydrophobicContact CB-CG1 4.43Å; T11-I19 VanDerWaalsContact O-CD1 3.31Å; T11-I19 WeakPolarHBondContact O-CD1 3.43Å; D14-I19 HydrophobicContact CB-CD1 4.39Å; D14-I19 HydrophobicContact CB-CG1 4.03Å; D14-I19 WeakPolarHBondContact O-CD1 3.24Å; A15-I19 PolarHBondContact O-N 3.44Å; C16-I19 PolarHBondContact O-N 2.95Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 3.18Å; I19-S22 PolarHBondContact O-N 3.36Å; I19-L23 HydrophobicContact CG2-CD1 3.89Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.34Å; I19-L23 PolarHBondContact O-N 3.47Å; I19-V44 HydrophobicContact CB-CG1 4.41Å; I19-V44 HydrophobicContact CG2-CG1 4.29Å; I19-V44 HydrophobicContact CG2-CG2 3.97Å; I19-L54 HydrophobicContact CD1-CD2 3.99Å; I19-L54 HydrophobicContact CG2-CD1 4.24Å; I19-I58 HydrophobicContact CD1-CD1 4.37Å; I19-I58 HydrophobicContact CG1-CD1 4.39Å; I19-I58 HydrophobicContact CG2-CD1 3.84Å; I19-I58 HydrophobicContact CG2-CG1 3.97Å
20	V	96.2	Very high	90.5	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-43.1	175.5	167.8	0	0	0	0	111.2	C16 S18 M24 I40 E41 V44	C16-V20 WeakPolarHBondContact O-CB 3.37Å; C16-V20 WeakPolarHBondContact O-CG2 3.39Å; C16-V20 PolarHBondContact O-N 2.92Å; S18-V20 PolarHBondContact O-N 2.91Å; V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 VanDerWaalsContact O-CB 3.3Å; V20-M24 WeakPolarHBondContact O-CB 3.33Å; V20-M24 VanDerWaalsContact O-CG 3.24Å; V20-M24 WeakPolarHBondContact O-CG 3.4Å; V20-M24 PolarHBondContact O-N 3.4Å; V20-I40 HydrophobicContact CB-CG2 4.32Å; V20-I40 HydrophobicContact CG1-CG2 4.2Å; V20-I40 HydrophobicContact CG2-CG2 4.16Å; V20-E41 HydrophobicContact CG1-CG 3.91Å; V20-E41 HydrophobicContact CG2-CG 4.04Å; V20-V44 HydrophobicContact CG2-CB 4.13Å; V20-V44 HydrophobicContact CG2-CG1 4.44Å; V20-V44 HydrophobicContact CG2-CG2 3.97Å
21	H	93.5	Very high	90.6	Very high	119 Å²	119	54.9 Å²	54.9	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-49.8	178.4	-176.9	-87.5	0	0	0	111.6	L17 S18 I19 M24 C25	L17-H21 WeakPolarHBondContact O-CB 3.31Å; L17-H21 PolarHBondContact O-N 3.42Å; S18-H21 WeakPolarHBondContact O-CB 3.27Å; S18-H21 PolarHBondContact O-N 3.35Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 3.18Å; H21-M24 WeakPolarHBondContact O-CB 3.45Å; H21-M24 PolarHBondContact O-N 3.01Å; H21-C25 PolarHBondContact O-N 3.02Å; H21-C25 PolarHBondContact O-SG 3.38Å
22	S	93.7	Very high	90.5	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-51	176	172.6	0	0	0	0	111.8	P10 S18 I19 M24 C25 H26	P10-S22 WeakPolarHBondContact CG-OG 3.32Å; S18-S22 PolarHBondContact O-N 3.47Å; I19-S22 PolarHBondContact O-N 3.36Å; S22-M24 PolarHBondContact O-N 3.2Å; S22-C25 WeakPolarHBondContact O-CB 3.3Å; S22-C25 PolarHBondContact O-N 2.93Å; S22-H26 PolarHBondContact O-CD2 3.18Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å
23	L	95.7	Very high	90.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-28.6	179.6	-68.5	176.7	0	0	0	113.2	I19 I40 V44 L57 I61 W99	I19-L23 HydrophobicContact CG2-CD1 3.89Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.34Å; I19-L23 PolarHBondContact O-N 3.47Å; L23-I40 HydrophobicContact CB-CD1 4.36Å; L23-I40 HydrophobicContact CB-CG2 3.78Å; L23-I40 HydrophobicContact CD1-CG2 3.98Å; L23-V44 HydrophobicContact CD1-CG2 3.86Å; L23-L57 HydrophobicContact CD1-CD2 4.1Å; L23-I61 HydrophobicContact CD2-CB 3.66Å; L23-I61 HydrophobicContact CD2-CG1 3.84Å; L23-I61 HydrophobicContact CD2-CG2 3.76Å; L23-W99 HydrophobicContact CB-CZ2 4.15Å; L23-W99 PolarHBondContact O-NE1 3.5Å
24	M	94.6	Very high	90.3	Very high	24 Å²	24	59 Å²	59	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-69.1	-29.4	172.6	-84.1	-71.7	-65.8	0	0	113.1	V20 H21 S22 H26 R27 E33 A36 K37 I40	V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 VanDerWaalsContact O-CB 3.3Å; V20-M24 WeakPolarHBondContact O-CB 3.33Å; V20-M24 VanDerWaalsContact O-CG 3.24Å; V20-M24 WeakPolarHBondContact O-CG 3.4Å; V20-M24 PolarHBondContact O-N 3.4Å; H21-M24 WeakPolarHBondContact O-CB 3.45Å; H21-M24 PolarHBondContact O-N 3.01Å; S22-M24 PolarHBondContact O-N 3.2Å; M24-H26 VanDerWaalsContact C-N 3.27Å; M24-H26 PolarHBondContact O-N 2.88Å; M24-R27 WeakPolarHBondContact O-CD 3.38Å; M24-R27 VanDerWaalsContact O-CG 3.28Å; M24-R27 WeakPolarHBondContact O-CG 3.43Å; M24-E33 HydrophobicContact CE-CG 3.61Å; M24-A36 HydrophobicContact CE-CB 4.34Å; M24-A36 HydrophobicContact SD-CB 3.89Å; M24-K37 HydrophobicContact CE-CB 4.15Å; M24-K37 HydrophobicContact SD-CB 4.06Å; M24-K37 PolarHBondContact SD-N 2.8Å; M24-I40 HydrophobicContact CG-CD1 4Å; M24-I40 HydrophobicContact SD-CD1 3.79Å
25	C	93.6	Very high	90.4	Very high	69 Å²	69	56.2 Å²	56.2	47%	0.466	33%	0.325	S	S	.	.	H	α-helix	trans	-69.9	-22.1	177.6	-63.3	0	0	0	0	113.3	I6 H21 S22	I6-C25 HydrophobicContact CD1-CB 4.25Å; H21-C25 PolarHBondContact O-N 3.02Å; H21-C25 PolarHBondContact O-SG 3.38Å; S22-C25 WeakPolarHBondContact O-CB 3.3Å; S22-C25 PolarHBondContact O-N 2.93Å
26	H	92.4	Very high	90.5	Very high	65 Å²	65	52.9 Å²	52.9	30%	0.301	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	10.6	-178.9	-66.5	-81.4	0	0	0	114	S22 M24 I61	S22-H26 PolarHBondContact O-CD2 3.18Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å; M24-H26 VanDerWaalsContact C-N 3.27Å; M24-H26 PolarHBondContact O-N 2.88Å; H26-I61 HydrophobicContact CB-CG2 3.41Å; H26-I61 VanDerWaalsContact CB-CG2 3.41Å
27	R	91.8	Very high	90.6	Very high	97 Å²	97	54.9 Å²	54.9	37%	0.366	30%	0.301	S	S	.	.			trans	-72.4	142.2	178.7	73.6	-171.6	175.6	76	2.8	111.4	M24 G29 L98	M24-R27 WeakPolarHBondContact O-CD 3.38Å; M24-R27 VanDerWaalsContact O-CG 3.28Å; M24-R27 WeakPolarHBondContact O-CG 3.43Å; R27-G29 VanDerWaalsContact C-N 3.3Å; R27-G29 PolarHBondContact O-N 3.21Å; R27-L98 CarbonylContact C-O 3.59Å; R27-L98 VanDerWaalsContact CA-O 3.26Å; R27-L98 WeakPolarHBondContact CA-O 3.41Å
28	Q	85.4	Confident	90.8	Very high	94 Å²	94	56 Å²	56	44%	0.439	30%	0.295	S	S	.	.			trans	-86.2	4.5	-177	-58.2	-65.3	-17.2	0	0	114.1	L98 W99 P102	Q28-L98 PolarHBondContact N-O 2.91Å; Q28-W99 WeakPolarHBondContact CG-O 3.06Å; Q28-W99 PolarHBondContact NE2-O 2.77Å; Q28-P102 HydrophobicContact CB-CG 3.47Å; Q28-P102 VanDerWaalsContact CB-CG 3.47Å; Q28-P102 VanDerWaalsContact O-CG 3.23Å; Q28-P102 WeakPolarHBondContact O-CG 3.24Å
29	G	71.3	Confident	90.9	Very high	21 Å²	21	53.1 Å²	53.1	22%	0.216	28%	0.275	C	S	.	.	S	Bend	trans	84.2	-165.2	-171.5	0	0	0	0	0	113.9	R27 E31	R27-G29 VanDerWaalsContact C-N 3.3Å; R27-G29 PolarHBondContact O-N 3.21Å; G29-E31 VanDerWaalsContact C-N 3.31Å; G29-E31 PolarHBondContact O-N 3.34Å; G29-E31 VanDerWaalsContact O-N 3.11Å
30	G	75.8	Confident	91	Very high	48 Å²	48	53 Å²	53	50%	0.495	28%	0.275	S	S	.	.	S	Bend	trans	82.2	-40.9	177.5	0	0	0	0	0	116.8
31	E	85.3	Confident	91	Very high	21 Å²	21	55.5 Å²	55.5	10%	0.098	29%	0.286	C	S	.	.	S	Bend	trans	-96.2	146.7	172.4	-67.9	-68.7	174.2	0	0	111.1	G29 F35 R87 R97 L98	G29-E31 VanDerWaalsContact C-N 3.31Å; G29-E31 PolarHBondContact O-N 3.34Å; G29-E31 VanDerWaalsContact O-N 3.11Å; E31-F35 HydrophobicContact CB-CD1 3.96Å; E31-F35 HydrophobicContact CG-CD1 4.19Å; E31-F35 HydrophobicContact CG-CE1 4.28Å; E31-R87 VanDerWaalsContact CD-NH2 3.31Å; E31-R87 IonicContact OE1-NH2 2.9Å; E31-R87 PolarHBondContact OE1-NH2 2.69Å; E31-R87 IonicContact OE2-CZ 2.68Å; E31-R87 IonicContact OE2-NH1 3.3Å; E31-R87 PolarHBondContact OE2-NH1 2.99Å; E31-R87 IonicContact OE2-NH2 3.39Å; E31-R87 PolarHBondContact OE2-NH2 3.36Å; E31-R97 HydrophobicContact CG-CG 4.3Å; E31-R97 WeakPolarHBondContact OE1-CD 3.21Å; E31-R97 IonicContact OE1-CZ 3.15Å; E31-R97 IonicContact OE1-NE 3.49Å; E31-R97 IonicContact OE1-NH1 3.72Å; E31-R97 PolarHBondContact OE1-NH1 3.35Å; E31-L98 HydrophobicContact CB-CD2 4.04Å; E31-L98 HydrophobicContact CG-CD2 4.38Å
32	S	89.1	Confident	91.1	Very high	45 Å²	45	51.8 Å²	51.8	32%	0.315	27%	0.273	S	S	.	.			trans	-62.4	145.4	-178.1	75.3	0	0	0	0	111.7	T34 F35 A36	S32-T34 PolarHBondContact O-N 2.93Å; S32-T34 PolarHBondContact OG-OG1 2.84Å; S32-F35 PolarHBondContact O-N 3.29Å; S32-F35 WeakPolarHBondContact OG-CB 3.49Å; S32-F35 PolarHBondContact OG-N 2.92Å; S32-A36 PolarHBondContact O-N 3.28Å
33	E	89.9	Confident	91.3	Very high	123 Å²	123	51.4 Å²	51.4	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-55.7	-39.4	-180	-166.5	-167.3	135	0	0	112	M24 F35 A36 K37	M24-E33 HydrophobicContact CE-CG 3.61Å; E33-F35 VanDerWaalsContact C-N 3.35Å; E33-F35 PolarHBondContact O-N 3.44Å; E33-A36 PolarHBondContact O-N 3.06Å; E33-K37 WeakPolarHBondContact O-CB 3.37Å; E33-K37 PolarHBondContact O-N 3.34Å
34	T	90.1	Very high	91.4	Very high	107 Å²	107	51.5 Å²	51.5	66%	0.656	27%	0.271	S	S	*	.	H	α-helix	trans	-61.5	-37.7	175.1	50.9	0	0	0	0	113.3	S32 R38	S32-T34 PolarHBondContact O-N 2.93Å; S32-T34 PolarHBondContact OG-OG1 2.84Å; T34-R38 WeakPolarHBondContact O-CB 3.31Å; T34-R38 WeakPolarHBondContact O-CG 3.49Å; T34-R38 PolarHBondContact O-N 3.29Å
35	F	93.7	Very high	91.4	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-75.4	-47.9	176.1	177.2	-90.1	0	0	0	110.9	E31 S32 E33 K37 R38 A39 V84 A85 R87 I94	E31-F35 HydrophobicContact CB-CD1 3.96Å; E31-F35 HydrophobicContact CG-CD1 4.19Å; E31-F35 HydrophobicContact CG-CE1 4.28Å; S32-F35 PolarHBondContact O-N 3.29Å; S32-F35 WeakPolarHBondContact OG-CB 3.49Å; S32-F35 PolarHBondContact OG-N 2.92Å; E33-F35 VanDerWaalsContact C-N 3.35Å; E33-F35 PolarHBondContact O-N 3.44Å; F35-K37 PolarHBondContact O-N 3.38Å; F35-R38 PolarHBondContact O-N 2.92Å; F35-A39 WeakPolarHBondContact O-CB 3.43Å; F35-A39 PolarHBondContact O-N 2.89Å; F35-V84 HydrophobicContact CD2-CB 4.42Å; F35-V84 HydrophobicContact CD2-CG1 4.16Å; F35-V84 HydrophobicContact CE2-CB 3.71Å; F35-V84 HydrophobicContact CE2-CG1 3.9Å; F35-V84 WeakPolarHBondContact CE2-O 3.45Å; F35-V84 HydrophobicContact CZ-CB 4.07Å; F35-V84 HydrophobicContact CZ-CG1 4.32Å; F35-A85 HydrophobicContact CD2-CB 4.24Å; F35-R87 HydrophobicContact CE2-CB 4.11Å; F35-I94 HydrophobicContact CE1-CG2 4.17Å; F35-I94 HydrophobicContact CZ-CG2 4.18Å
36	A	94.3	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-50.3	179.1	0	0	0	0	0	111.4	M24 S32 E33 R38 A39 I40 L98	M24-A36 HydrophobicContact CE-CB 4.34Å; M24-A36 HydrophobicContact SD-CB 3.89Å; S32-A36 PolarHBondContact O-N 3.28Å; E33-A36 PolarHBondContact O-N 3.06Å; A36-R38 PolarHBondContact O-N 3.44Å; A36-A39 WeakPolarHBondContact O-CB 3.44Å; A36-A39 PolarHBondContact O-N 3.27Å; A36-A39 VanDerWaalsContact O-N 3.17Å; A36-I40 WeakPolarHBondContact O-CG1 3.35Å; A36-I40 PolarHBondContact O-N 2.91Å; A36-L98 HydrophobicContact CB-CD2 3.57Å
37	K	95.1	Very high	91.7	Very high	95 Å²	95	56.6 Å²	56.6	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-47.6	177.6	-176.4	170.5	-179.7	172.2	0	111.7	M24 E33 F35 A39 I40 E41	M24-K37 HydrophobicContact CE-CB 4.15Å; M24-K37 HydrophobicContact SD-CB 4.06Å; M24-K37 PolarHBondContact SD-N 2.8Å; E33-K37 WeakPolarHBondContact O-CB 3.37Å; E33-K37 PolarHBondContact O-N 3.34Å; F35-K37 PolarHBondContact O-N 3.38Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-A39 PolarHBondContact O-N 3.04Å; K37-I40 PolarHBondContact O-N 3.2Å; K37-E41 WeakPolarHBondContact CE-OE1 3.44Å; K37-E41 HydrophobicContact CG-CG 4.29Å; K37-E41 WeakPolarHBondContact CG-OE1 3.18Å; K37-E41 VanDerWaalsContact O-CB 3.31Å; K37-E41 WeakPolarHBondContact O-CB 3.27Å; K37-E41 WeakPolarHBondContact O-CG 3.48Å; K37-E41 PolarHBondContact O-N 2.96Å
38	R	95.5	Very high	91.7	Very high	160 Å²	160	57.5 Å²	57.5	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-64.3	-34.5	177.3	-70.6	-69.7	-166.1	160	4.3	113.1	T34 F35 A36 S42 V84	T34-R38 WeakPolarHBondContact O-CB 3.31Å; T34-R38 WeakPolarHBondContact O-CG 3.49Å; T34-R38 PolarHBondContact O-N 3.29Å; F35-R38 PolarHBondContact O-N 2.92Å; A36-R38 PolarHBondContact O-N 3.44Å; R38-S42 WeakPolarHBondContact O-CB 3.41Å; R38-S42 PolarHBondContact O-N 3.4Å; R38-S42 VanDerWaalsContact O-N 3.12Å; R38-V84 HydrophobicContact CB-CG1 4.07Å
39	A	96.9	Very high	92.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-49.1	175.1	0	0	0	0	0	110.9	F35 A36 K37 S42 L43 V84 Y95 L98	F35-A39 WeakPolarHBondContact O-CB 3.43Å; F35-A39 PolarHBondContact O-N 2.89Å; A36-A39 WeakPolarHBondContact O-CB 3.44Å; A36-A39 PolarHBondContact O-N 3.27Å; A36-A39 VanDerWaalsContact O-N 3.17Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-A39 PolarHBondContact O-N 3.04Å; A39-S42 WeakPolarHBondContact O-CB 3.44Å; A39-S42 PolarHBondContact O-N 3.16Å; A39-L43 PolarHBondContact O-N 2.73Å; A39-V84 HydrophobicContact CB-CG1 3.96Å; A39-V84 HydrophobicContact CB-CG2 4.49Å; A39-Y95 HydrophobicContact CB-CE1 4.17Å; A39-Y95 PolarHBondContact O-OH 2.91Å; A39-L98 HydrophobicContact CB-CD1 3.74Å
40	I	97.2	Very high	93.3	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69	-43.8	-177.8	-62.8	177.8	0	0	0	110.9	V20 L23 M24 A36 K37 S42 L43 V44 W99	V20-I40 HydrophobicContact CB-CG2 4.32Å; V20-I40 HydrophobicContact CG1-CG2 4.2Å; V20-I40 HydrophobicContact CG2-CG2 4.16Å; L23-I40 HydrophobicContact CB-CD1 4.36Å; L23-I40 HydrophobicContact CB-CG2 3.78Å; L23-I40 HydrophobicContact CD1-CG2 3.98Å; M24-I40 HydrophobicContact CG-CD1 4Å; M24-I40 HydrophobicContact SD-CD1 3.79Å; A36-I40 WeakPolarHBondContact O-CG1 3.35Å; A36-I40 PolarHBondContact O-N 2.91Å; K37-I40 PolarHBondContact O-N 3.2Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.31Å; I40-L43 PolarHBondContact O-N 3.43Å; I40-V44 HydrophobicContact CG2-CG2 4.25Å; I40-V44 WeakPolarHBondContact O-CG2 3.28Å; I40-V44 PolarHBondContact O-N 3.22Å; I40-W99 HydrophobicContact CD1-CH2 4.45Å; I40-W99 HydrophobicContact CD1-CZ2 3.55Å; I40-W99 HydrophobicContact CG1-CH2 4.02Å; I40-W99 HydrophobicContact CG1-CZ2 3.58Å; I40-W99 HydrophobicContact CG2-CZ2 4.48Å
41	E	96.7	Very high	94.2	Very high	60 Å²	60	65.3 Å²	65.3	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-55.1	-44.2	171.7	-75.2	172.2	174.5	0	0	112	V20 K37 K45	V20-E41 HydrophobicContact CG1-CG 3.91Å; V20-E41 HydrophobicContact CG2-CG 4.04Å; K37-E41 WeakPolarHBondContact CE-OE1 3.44Å; K37-E41 HydrophobicContact CG-CG 4.29Å; K37-E41 WeakPolarHBondContact CG-OE1 3.18Å; K37-E41 VanDerWaalsContact O-CB 3.31Å; K37-E41 WeakPolarHBondContact O-CB 3.27Å; K37-E41 WeakPolarHBondContact O-CG 3.48Å; K37-E41 PolarHBondContact O-N 2.96Å; E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.32Å; E41-K45 PolarHBondContact O-N 3.36Å
42	S	95.4	Very high	94.7	Very high	40 Å²	40	69.4 Å²	69.4	28%	0.28	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.9	-172.4	0	0	0	0	112.1	R38 A39 I40 K46	R38-S42 WeakPolarHBondContact O-CB 3.41Å; R38-S42 PolarHBondContact O-N 3.4Å; R38-S42 VanDerWaalsContact O-N 3.12Å; A39-S42 WeakPolarHBondContact O-CB 3.44Å; A39-S42 PolarHBondContact O-N 3.16Å; I40-S42 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.31Å; S42-K46 VanDerWaalsContact O-CG 3.29Å; S42-K46 WeakPolarHBondContact O-CG 3.3Å; S42-K46 PolarHBondContact O-N 3.35Å; S42-K46 VanDerWaalsContact O-N 3.14Å
43	L	97.6	Very high	95.1	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-52.2	177.4	-174.2	58.3	0	0	0	111.9	A39 I40 K45 K46 L47 L57 I74 Y95 W99 V128	A39-L43 PolarHBondContact O-N 2.73Å; I40-L43 PolarHBondContact O-N 3.43Å; L43-K45 PolarHBondContact O-N 3.32Å; L43-K46 WeakPolarHBondContact O-CA 3.35Å; L43-K46 WeakPolarHBondContact O-CB 3.47Å; L43-K46 PolarHBondContact O-N 3.06Å; L43-L47 HydrophobicContact CD1-CD1 3.86Å; L43-L47 HydrophobicContact CD1-CG 4.07Å; L43-L47 HydrophobicContact CD2-CD1 4.45Å; L43-L47 HydrophobicContact CG-CD1 3.8Å; L43-L47 HydrophobicContact CG-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 2.73Å; L43-L57 HydrophobicContact CD2-CD1 4.42Å; L43-L57 HydrophobicContact CD2-CD2 3.56Å; L43-L57 HydrophobicContact CG-CD2 4.08Å; L43-I74 HydrophobicContact CD1-CG2 3.7Å; L43-Y95 HydrophobicContact CB-CE1 3.91Å; L43-Y95 HydrophobicContact CD1-CE2 4.4Å; L43-Y95 HydrophobicContact CD2-CD1 3.89Å; L43-Y95 HydrophobicContact CD2-CE1 3.7Å; L43-Y95 HydrophobicContact CD2-CE2 4.43Å; L43-Y95 HydrophobicContact CD2-CG 4.34Å; L43-Y95 HydrophobicContact CG-CE1 4.31Å; L43-W99 HydrophobicContact CD2-CH2 3.93Å; L43-W99 HydrophobicContact CD2-CZ3 4.14Å; L43-V128 HydrophobicContact CD1-CG2 3.74Å; L43-V128 HydrophobicContact CD2-CG2 4.14Å
44	V	97.5	Very high	95.5	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-39.9	178.5	174	0	0	0	0	110.5	C16 I19 V20 L23 I40 K46 L47 K48 L54	C16-V44 HydrophobicContact CB-CG1 3.97Å; I19-V44 HydrophobicContact CB-CG1 4.41Å; I19-V44 HydrophobicContact CG2-CG1 4.29Å; I19-V44 HydrophobicContact CG2-CG2 3.97Å; V20-V44 HydrophobicContact CG2-CB 4.13Å; V20-V44 HydrophobicContact CG2-CG1 4.44Å; V20-V44 HydrophobicContact CG2-CG2 3.97Å; L23-V44 HydrophobicContact CD1-CG2 3.86Å; I40-V44 HydrophobicContact CG2-CG2 4.25Å; I40-V44 WeakPolarHBondContact O-CG2 3.28Å; I40-V44 PolarHBondContact O-N 3.22Å; V44-K46 PolarHBondContact O-N 3.19Å; V44-L47 PolarHBondContact O-N 3.35Å; V44-K48 PolarHBondContact O-N 3.05Å; V44-K48 VanDerWaalsContact O-N 3.11Å; V44-L54 HydrophobicContact CG1-CD1 4.45Å; V44-L54 HydrophobicContact CG2-CD1 4.34Å
45	K	95.4	Very high	95.8	Very high	173 Å²	173	60.5 Å²	60.5	75%	0.752	28%	0.276	S	S	*	.	H	α-helix	trans	-62.9	-37.7	174.2	-173.5	175.8	-179.3	179.5	0	113.3	E41 L43	E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.32Å; E41-K45 PolarHBondContact O-N 3.36Å; L43-K45 PolarHBondContact O-N 3.32Å
46	K	95.1	Very high	95.9	Very high	93 Å²	93	60.8 Å²	60.8	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-73.8	-25.6	177.2	-74.1	175	-177.9	-169.5	0	113.6	S42 L43 V44 I74 L82	S42-K46 VanDerWaalsContact O-CG 3.29Å; S42-K46 WeakPolarHBondContact O-CG 3.3Å; S42-K46 PolarHBondContact O-N 3.35Å; S42-K46 VanDerWaalsContact O-N 3.14Å; L43-K46 WeakPolarHBondContact O-CA 3.35Å; L43-K46 WeakPolarHBondContact O-CB 3.47Å; L43-K46 PolarHBondContact O-N 3.06Å; V44-K46 PolarHBondContact O-N 3.19Å; K46-I74 HydrophobicContact CB-CG2 4.49Å; K46-I74 HydrophobicContact CD-CG2 4.15Å; K46-L82 VanDerWaalsContact NZ-CD1 3.33Å
47	L	96.9	Very high	96.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-94.4	-5.1	-179.6	-62.1	176	0	0	0	113.6	L43 V44 E49 K50 E53 L54 L57 V72 T73	L43-L47 HydrophobicContact CD1-CD1 3.86Å; L43-L47 HydrophobicContact CD1-CG 4.07Å; L43-L47 HydrophobicContact CD2-CD1 4.45Å; L43-L47 HydrophobicContact CG-CD1 3.8Å; L43-L47 HydrophobicContact CG-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 2.73Å; V44-L47 PolarHBondContact O-N 3.35Å; L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 3.28Å; L47-K50 CarbonylContact O-C 3.58Å; L47-K50 VanDerWaalsContact O-C 3.26Å; L47-K50 WeakPolarHBondContact O-CA 3.2Å; L47-K50 PolarHBondContact O-N 2.75Å; L47-E53 HydrophobicContact CD2-CB 4.24Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.46Å; L47-L54 HydrophobicContact CB-CB 4.1Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-L54 HydrophobicContact CD1-CD1 4.24Å; L47-L57 HydrophobicContact CD1-CB 4.47Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; L47-V72 HydrophobicContact CD1-CG1 3.42Å; L47-V72 VanDerWaalsContact CD1-CG1 3.42Å; L47-V72 HydrophobicContact CD2-CG1 3.93Å; L47-V72 HydrophobicContact CG-CG1 4.32Å; L47-T73 WeakPolarHBondContact CD2-O 3.38Å
48	K	92.6	Very high	96.1	Very high	116 Å²	116	56.3 Å²	56.3	50%	0.504	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.1	-176	-167.5	-170.9	175.9	-161.4	0	113.7	V44 K50	V44-K48 PolarHBondContact O-N 3.05Å; V44-K48 VanDerWaalsContact O-N 3.11Å; K48-K50 VanDerWaalsContact C-N 3.26Å; K48-K50 PolarHBondContact O-N 3.04Å
49	E	93	Very high	96.1	Very high	162 Å²	162	51.3 Å²	51.3	76%	0.757	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1	178.1	-49.9	-50.7	132.2	0	0	113.1	L47	L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 3.28Å
50	K	95.7	Very high	96	Very high	68 Å²	68	51.3 Å²	51.3	30%	0.296	25%	0.246	S	C	.	.			trans	-126	63	-178.2	-63.3	-170.1	-67.2	155.7	0	110.2	L47 K48 D52 E53 L54 T73	L47-K50 CarbonylContact O-C 3.58Å; L47-K50 VanDerWaalsContact O-C 3.26Å; L47-K50 WeakPolarHBondContact O-CA 3.2Å; L47-K50 PolarHBondContact O-N 2.75Å; K48-K50 VanDerWaalsContact C-N 3.26Å; K48-K50 PolarHBondContact O-N 3.04Å; K50-D52 VanDerWaalsContact C-N 3.32Å; K50-D52 PolarHBondContact O-N 2.96Å; K50-E53 HydrophobicContact CB-CB 4.28Å; K50-E53 HydrophobicContact CB-CG 4.32Å; K50-E53 WeakPolarHBondContact CE-OE2 3.24Å; K50-E53 IonicContact NZ-OE1 2.67Å; K50-E53 PolarHBondContact NZ-OE1 3.06Å; K50-E53 VanDerWaalsContact NZ-OE1 3.14Å; K50-E53 IonicContact NZ-OE2 2.67Å; K50-E53 PolarHBondContact NZ-OE2 3.07Å; K50-E53 WeakPolarHBondContact O-CB 3.46Å; K50-E53 PolarHBondContact O-N 3.22Å; K50-L54 PolarHBondContact O-N 3.16Å; K50-L54 VanDerWaalsContact O-N 3.09Å; K50-T73 PolarHBondContact NZ-O 3.46Å; K50-T73 PolarHBondContact NZ-OG1 2.74Å
51	K	95.3	Very high	96	Very high	97 Å²	97	51.4 Å²	51.4	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-48.1	-48.3	-174.1	-73.6	-166.6	173	-172.3	0	113.7	S12 N13 E53 L54 D55	S12-K51 WeakPolarHBondContact OG-CB 3.27Å; N13-K51 PolarHBondContact OD1-NZ 3.33Å; K51-E53 VanDerWaalsContact C-N 3.26Å; K51-E53 PolarHBondContact O-N 2.58Å; K51-L54 CarbonylContact O-C 3.57Å; K51-L54 WeakPolarHBondContact O-CA 3.17Å; K51-L54 WeakPolarHBondContact O-CB 3.4Å; K51-L54 PolarHBondContact O-N 3.42Å; K51-D55 PolarHBondContact O-N 2.74Å
52	D	96	Very high	95.8	Very high	107 Å²	107	50 Å²	50	57%	0.572	24%	0.242	S	C	*	.	H	α-helix	trans	-55.4	-37.3	177.9	-63.7	8.9	0	0	0	113.9	K50 S56	K50-D52 VanDerWaalsContact C-N 3.32Å; K50-D52 PolarHBondContact O-N 2.96Å; D52-S56 VanDerWaalsContact O-CB 3.3Å; D52-S56 WeakPolarHBondContact O-CB 3.26Å; D52-S56 PolarHBondContact O-N 3.41Å; D52-S56 PolarHBondContact O-OG 2.83Å
53	E	97.5	Very high	95.6	Very high	35 Å²	35	50 Å²	50	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-76.7	-33.6	175.9	-64.7	-169.9	-169.3	0	0	111.7	L47 K50 K51 S56 L57 V72 T73	L47-E53 HydrophobicContact CD2-CB 4.24Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.46Å; K50-E53 HydrophobicContact CB-CB 4.28Å; K50-E53 HydrophobicContact CB-CG 4.32Å; K50-E53 WeakPolarHBondContact CE-OE2 3.24Å; K50-E53 IonicContact NZ-OE1 2.67Å; K50-E53 PolarHBondContact NZ-OE1 3.06Å; K50-E53 VanDerWaalsContact NZ-OE1 3.14Å; K50-E53 IonicContact NZ-OE2 2.67Å; K50-E53 PolarHBondContact NZ-OE2 3.07Å; K50-E53 WeakPolarHBondContact O-CB 3.46Å; K50-E53 PolarHBondContact O-N 3.22Å; K51-E53 VanDerWaalsContact C-N 3.26Å; K51-E53 PolarHBondContact O-N 2.58Å; E53-S56 PolarHBondContact O-N 3.39Å; E53-L57 WeakPolarHBondContact O-CB 3.39Å; E53-L57 PolarHBondContact O-N 2.91Å; E53-V72 WeakPolarHBondContact O-CG2 3.27Å; E53-T73 PolarHBondContact OE1-OG1 3.39Å; E53-T73 PolarHBondContact OE2-N 2.66Å; E53-T73 PolarHBondContact OE2-OG1 2.89Å
54	L	97.5	Very high	95.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-43.7	175.2	-175.2	54.3	0	0	0	111.2	I19 V44 L47 K50 K51 S56 L57 I58	I19-L54 HydrophobicContact CD1-CD2 3.99Å; I19-L54 HydrophobicContact CG2-CD1 4.24Å; V44-L54 HydrophobicContact CG1-CD1 4.45Å; V44-L54 HydrophobicContact CG2-CD1 4.34Å; L47-L54 HydrophobicContact CB-CB 4.1Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-L54 HydrophobicContact CD1-CD1 4.24Å; K50-L54 PolarHBondContact O-N 3.16Å; K50-L54 VanDerWaalsContact O-N 3.09Å; K51-L54 CarbonylContact O-C 3.57Å; K51-L54 WeakPolarHBondContact O-CA 3.17Å; K51-L54 WeakPolarHBondContact O-CB 3.4Å; K51-L54 PolarHBondContact O-N 3.42Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-L57 WeakPolarHBondContact O-CB 3.5Å; L54-L57 PolarHBondContact O-N 3.25Å; L54-I58 HydrophobicContact CD1-CD1 4.49Å; L54-I58 HydrophobicContact CG-CD1 4.23Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 3.39Å
55	D	96.5	Very high	94.8	Very high	49 Å²	49	55 Å²	55	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-38.4	172	-73.5	-48.6	0	0	0	111.6	T11 S12 K51 I58 T59	T11-D55 WeakPolarHBondContact CA-OD1 3.39Å; S12-D55 VanDerWaalsContact CB-CG 3.5Å; S12-D55 WeakPolarHBondContact CB-OD1 3.39Å; S12-D55 WeakPolarHBondContact CB-OD2 3.45Å; S12-D55 PolarHBondContact N-OD1 3.46Å; S12-D55 VanDerWaalsContact OG-CG 3.31Å; S12-D55 PolarHBondContact OG-OD1 3.49Å; S12-D55 PolarHBondContact OG-OD2 2.88Å; K51-D55 PolarHBondContact O-N 2.74Å; D55-I58 PolarHBondContact O-N 2.97Å; D55-T59 WeakPolarHBondContact O-CB 3.35Å; D55-T59 PolarHBondContact O-N 3.41Å; D55-T59 PolarHBondContact O-OG1 3.18Å
56	S	96.8	Very high	94.4	Very high	14 Å²	14	49.4 Å²	49.4	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-39.6	173.6	-63.4	0	0	0	0	112.2	D52 E53 L54 A60 K70	D52-S56 VanDerWaalsContact O-CB 3.3Å; D52-S56 WeakPolarHBondContact O-CB 3.26Å; D52-S56 PolarHBondContact O-N 3.41Å; D52-S56 PolarHBondContact O-OG 2.83Å; E53-S56 PolarHBondContact O-N 3.39Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-A60 VanDerWaalsContact O-CB 3.26Å; S56-A60 WeakPolarHBondContact O-CB 3.23Å; S56-A60 PolarHBondContact O-N 2.88Å; S56-K70 WeakPolarHBondContact OG-CB 3.33Å
57	L	97.5	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-49.6	173.8	180	65.4	0	0	0	111.2	L23 L43 L47 E53 L54 T59 A60 I61 V72 W99	L23-L57 HydrophobicContact CD1-CD2 4.1Å; L43-L57 HydrophobicContact CD2-CD1 4.42Å; L43-L57 HydrophobicContact CD2-CD2 3.56Å; L43-L57 HydrophobicContact CG-CD2 4.08Å; L47-L57 HydrophobicContact CD1-CB 4.47Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; E53-L57 WeakPolarHBondContact O-CB 3.39Å; E53-L57 PolarHBondContact O-N 2.91Å; L54-L57 WeakPolarHBondContact O-CB 3.5Å; L54-L57 PolarHBondContact O-N 3.25Å; L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 2.98Å; L57-A60 PolarHBondContact O-N 2.86Å; L57-I61 HydrophobicContact CD1-CD1 4.26Å; L57-I61 HydrophobicContact CD1-CG1 3.89Å; L57-I61 HydrophobicContact CG-CG1 4.36Å; L57-I61 WeakPolarHBondContact O-CG1 2.84Å; L57-I61 PolarHBondContact O-N 3.04Å; L57-V72 HydrophobicContact CB-CG1 4.04Å; L57-V72 HydrophobicContact CB-CG2 3.8Å; L57-V72 HydrophobicContact CD1-CG1 4.33Å; L57-V72 HydrophobicContact CD1-CG2 4.38Å; L57-V72 HydrophobicContact CD2-CG1 4.41Å; L57-V72 HydrophobicContact CG-CG1 4.49Å; L57-W99 HydrophobicContact CD1-CH2 4.44Å; L57-W99 HydrophobicContact CD1-CZ3 4.26Å
58	I	96.1	Very high	93.4	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-46.8	179.9	-66.3	162.4	0	0	0	110	T9 P10 I19 L54 D55 A60 I61 T62	T9-I58 HydrophobicContact CG2-CG2 4.07Å; P10-I58 HydrophobicContact CG-CG2 3.92Å; P10-I58 WeakPolarHBondContact O-CG2 3.41Å; I19-I58 HydrophobicContact CD1-CD1 4.37Å; I19-I58 HydrophobicContact CG1-CD1 4.39Å; I19-I58 HydrophobicContact CG2-CD1 3.84Å; I19-I58 HydrophobicContact CG2-CG1 3.97Å; L54-I58 HydrophobicContact CD1-CD1 4.49Å; L54-I58 HydrophobicContact CG-CD1 4.23Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 3.39Å; D55-I58 PolarHBondContact O-N 2.97Å; I58-A60 PolarHBondContact O-N 2.69Å; I58-I61 PolarHBondContact O-N 3.23Å; I58-T62 HydrophobicContact CG2-CG2 3.98Å; I58-T62 WeakPolarHBondContact O-CB 3.44Å; I58-T62 VanDerWaalsContact O-CG2 3.28Å; I58-T62 WeakPolarHBondContact O-CG2 3.2Å; I58-T62 PolarHBondContact O-N 2.92Å; I58-T62 PolarHBondContact O-OG1 2.96Å
59	T	94.9	Very high	93.4	Very high	55 Å²	55	49.5 Å²	49.5	34%	0.337	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-50.3	176.5	-55.5	0	0	0	0	110.8	D55 L57 I61 T63 H67	D55-T59 WeakPolarHBondContact O-CB 3.35Å; D55-T59 PolarHBondContact O-N 3.41Å; D55-T59 PolarHBondContact O-OG1 3.18Å; L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 2.98Å; T59-I61 PolarHBondContact O-N 2.66Å; T59-T63 HydrophobicContact CG2-CG2 4.25Å; T59-T63 VanDerWaalsContact O-CB 3.31Å; T59-T63 WeakPolarHBondContact O-CB 3.31Å; T59-T63 VanDerWaalsContact O-CG2 3.24Å; T59-T63 WeakPolarHBondContact O-CG2 3.43Å; T59-T63 PolarHBondContact O-N 3.46Å; T59-T63 PolarHBondContact O-OG1 3.39Å; T59-H67 HydrophobicContact CG2-CB 4.27Å
60	A	95.9	Very high	93.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-46.1	-177.8	0	0	0	0	0	112.4	S56 L57 I58 N64 G65 S69 Y131	S56-A60 VanDerWaalsContact O-CB 3.26Å; S56-A60 WeakPolarHBondContact O-CB 3.23Å; S56-A60 PolarHBondContact O-N 2.88Å; L57-A60 PolarHBondContact O-N 2.86Å; I58-A60 PolarHBondContact O-N 2.69Å; A60-N64 PolarHBondContact O-N 2.77Å; A60-G65 PolarHBondContact O-N 2.92Å; A60-S69 WeakPolarHBondContact CB-OG 3.32Å; A60-Y131 HydrophobicContact CB-CD2 3.96Å; A60-Y131 HydrophobicContact CB-CE2 4.47Å; A60-Y131 WeakPolarHBondContact O-CE2 3.41Å
61	I	96	Very high	93.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-74.2	-48.6	-177.9	-60.3	-41.9	0	0	0	111.8	L23 H26 L57 I58 T59 T63 N64 W99 P130 Y131	L23-I61 HydrophobicContact CD2-CB 3.66Å; L23-I61 HydrophobicContact CD2-CG1 3.84Å; L23-I61 HydrophobicContact CD2-CG2 3.76Å; H26-I61 HydrophobicContact CB-CG2 3.41Å; H26-I61 VanDerWaalsContact CB-CG2 3.41Å; L57-I61 HydrophobicContact CD1-CD1 4.26Å; L57-I61 HydrophobicContact CD1-CG1 3.89Å; L57-I61 HydrophobicContact CG-CG1 4.36Å; L57-I61 WeakPolarHBondContact O-CG1 2.84Å; L57-I61 PolarHBondContact O-N 3.04Å; I58-I61 PolarHBondContact O-N 3.23Å; T59-I61 PolarHBondContact O-N 2.66Å; I61-T63 VanDerWaalsContact C-N 3.31Å; I61-T63 PolarHBondContact O-N 2.89Å; I61-N64 PolarHBondContact O-N 3.39Å; I61-N64 VanDerWaalsContact O-N 3.16Å; I61-W99 HydrophobicContact CD1-CB 3.83Å; I61-W99 HydrophobicContact CD1-CD2 3.55Å; I61-W99 HydrophobicContact CD1-CE3 3.73Å; I61-W99 HydrophobicContact CD1-CG 3.6Å; I61-W99 HydrophobicContact CD1-CZ3 4.44Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.3Å; I61-W99 HydrophobicContact CG1-CG 4.2Å; I61-W99 HydrophobicContact CG1-CZ2 4.43Å; I61-W99 HydrophobicContact CG2-CG 4.16Å; I61-P130 HydrophobicContact CD1-CG 3.53Å; I61-Y131 HydrophobicContact CD1-CE2 3.95Å
62	T	93.3	Very high	93.8	Very high	30 Å²	30	41 Å²	41	18%	0.184	23%	0.23	C	C	.	.	H	α-helix	trans	-70.7	-27.6	-173.9	58.7	0	0	0	0	112.9	T9 I58	T9-T62 HydrophobicContact CG2-CG2 4.14Å; I58-T62 HydrophobicContact CG2-CG2 3.98Å; I58-T62 WeakPolarHBondContact O-CB 3.44Å; I58-T62 VanDerWaalsContact O-CG2 3.28Å; I58-T62 WeakPolarHBondContact O-CG2 3.2Å; I58-T62 PolarHBondContact O-N 2.92Å; I58-T62 PolarHBondContact O-OG1 2.96Å
63	T	90.4	Very high	93.9	Very high	40 Å²	40	36.3 Å²	36.3	25%	0.245	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4	174.8	70.6	0	0	0	0	113.5	T59 I61 G65 A66	T59-T63 HydrophobicContact CG2-CG2 4.25Å; T59-T63 VanDerWaalsContact O-CB 3.31Å; T59-T63 WeakPolarHBondContact O-CB 3.31Å; T59-T63 VanDerWaalsContact O-CG2 3.24Å; T59-T63 WeakPolarHBondContact O-CG2 3.43Å; T59-T63 PolarHBondContact O-N 3.46Å; T59-T63 PolarHBondContact O-OG1 3.39Å; I61-T63 VanDerWaalsContact C-N 3.31Å; I61-T63 PolarHBondContact O-N 2.89Å; T63-G65 PolarHBondContact O-N 3.43Å; T63-A66 WeakPolarHBondContact O-CB 3.46Å; T63-A66 PolarHBondContact O-N 2.79Å
64	N	91.2	Very high	93.8	Very high	102 Å²	102	35 Å²	35	55%	0.545	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	37.8	-173	-165.8	23.9	0	0	0	113.5	A60 I61 A66 Y131	A60-N64 PolarHBondContact O-N 2.77Å; I61-N64 PolarHBondContact O-N 3.39Å; I61-N64 VanDerWaalsContact O-N 3.16Å; N64-A66 VanDerWaalsContact C-N 3.33Å; N64-A66 PolarHBondContact O-N 3.24Å; N64-Y131 VanDerWaalsContact C-CZ 3.41Å; N64-Y131 WeakPolarHBondContact CA-OH 3.27Å; N64-Y131 VanDerWaalsContact O-CE1 3.27Å; N64-Y131 WeakPolarHBondContact O-CE1 3.5Å; N64-Y131 PolarHBondContact OD1-OH 3.42Å
65	G	88.3	Confident	93.7	Very high	7 Å²	7	41.2 Å²	41.2	7%	0.072	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	7.3	-177.8	0	0	0	0	0	116.1	A60 T63 H67 Q461	A60-G65 PolarHBondContact O-N 2.92Å; T63-G65 PolarHBondContact O-N 3.43Å; G65-H67 PolarHBondContact O-N 3.49Å; G65-Q461 PolarHBondContact O-NE2 3.09Å
66	A	85.6	Confident	93.7	Very high	54 Å²	54	41.3 Å²	41.3	45%	0.446	23%	0.225	S	C	.	.			trans	-61.7	-25.2	179.2	0	0	0	0	0	113.3	T63 N64	T63-A66 WeakPolarHBondContact O-CB 3.46Å; T63-A66 PolarHBondContact O-N 2.79Å; N64-A66 VanDerWaalsContact C-N 3.33Å; N64-A66 PolarHBondContact O-N 3.24Å
67	H	83.4	Confident	93.5	Very high	112 Å²	112	43.4 Å²	43.4	52%	0.519	24%	0.237	S	C	.	.	S	Bend	trans	-112.7	136.1	175.4	-63.6	-35.4	0	0	0	112.3	T59 G65 S69	T59-H67 HydrophobicContact CG2-CB 4.27Å; G65-H67 PolarHBondContact O-N 3.49Å; H67-S69 PolarHBondContact O-N 2.74Å
68	P	87.5	Confident	93.1	Very high	80 Å²	80	52.7 Å²	52.7	52%	0.519	29%	0.286	S	S	.	.			trans	-53.6	135.4	170.4	-25.8	34.8	0	0	0	111.6	V465	P68-V465 HydrophobicContact CG-CG2 4.17Å
69	S	92.7	Very high	92.8	Very high	19 Å²	19	55.8 Å²	55.8	13%	0.133	30%	0.302	C	S	.	.			trans	-133.8	151.8	-176.6	47	0	0	0	0	110.4	A60 H67 N129 H132	A60-S69 WeakPolarHBondContact CB-OG 3.32Å; H67-S69 PolarHBondContact O-N 2.74Å; S69-N129 PolarHBondContact OG-ND2 3.16Å; S69-H132 PolarHBondContact O-CE1 2.92Å; S69-H132 PolarHBondContact O-NE2 3.38Å
70	K	96	Very high	92.6	Very high	132 Å²	132	53.7 Å²	53.7	57%	0.574	29%	0.292	S	S	*	.			trans	-71.3	168	179.3	-58.8	178.3	-179.4	174.1	0	111.3	S56 V72 N129 H132	S56-K70 WeakPolarHBondContact OG-CB 3.33Å; K70-V72 PolarHBondContact O-N 3.27Å; K70-N129 PolarHBondContact O-ND2 3.41Å; K70-N129 VanDerWaalsContact O-ND2 3.13Å; K70-H132 VanDerWaalsContact C-CE1 3.4Å; K70-H132 PolarHBondContact O-CE1 3.3Å
71	C	97.8	Very high	92.4	Very high	18 Å²	18	58.9 Å²	58.9	12%	0.122	31%	0.311	C	S	.	.			trans	-62.2	133.4	171.3	-65.2	0	0	0	0	109.6	T73 Y117 C127 H132	C71-T73 HydrophobicContact CB-CG2 4.08Å; C71-Y117 HydrophobicContact CB-CD2 3.84Å; C71-C127 HydrophobicContact CB-CB 4.45Å; C71-H132 VanDerWaalsContact CA-CE1 3.48Å; C71-H132 WeakPolarHBondContact CA-CE1 3.46Å; C71-H132 PolarHBondContact N-CE1 2.83Å; C71-H132 VanDerWaalsContact N-CE1 3.3Å; C71-H132 PolarHBondContact SG-CE1 3.4Å; C71-H132 PolarHBondContact SG-ND1 3.08Å
72	V	98.1	Very high	92.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.314	C	S	.	.			trans	-105.5	114	174.4	-179.8	0	0	0	0	106.2	L47 E53 L57 K70 C127 V128 N129	L47-V72 HydrophobicContact CD1-CG1 3.42Å; L47-V72 VanDerWaalsContact CD1-CG1 3.42Å; L47-V72 HydrophobicContact CD2-CG1 3.93Å; L47-V72 HydrophobicContact CG-CG1 4.32Å; E53-V72 WeakPolarHBondContact O-CG2 3.27Å; L57-V72 HydrophobicContact CB-CG1 4.04Å; L57-V72 HydrophobicContact CB-CG2 3.8Å; L57-V72 HydrophobicContact CD1-CG1 4.33Å; L57-V72 HydrophobicContact CD1-CG2 4.38Å; L57-V72 HydrophobicContact CD2-CG1 4.41Å; L57-V72 HydrophobicContact CG-CG1 4.49Å; K70-V72 PolarHBondContact O-N 3.27Å; V72-C127 CarbonylContact O-C 3.5Å; V72-C127 VanDerWaalsContact O-CA 3.24Å; V72-C127 WeakPolarHBondContact O-CA 3.49Å; V72-V128 HydrophobicContact CB-CG2 4.41Å; V72-V128 HydrophobicContact CG1-CG2 4.01Å; V72-V128 PolarHBondContact O-N 3Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.89Å
73	T	97.8	Very high	92.3	Very high	8 Å²	8	63.2 Å²	63.2	5%	0.049	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.2	-163.3	72.5	0	0	0	0	113.6	L47 K50 E53 C71 Y117 V126	L47-T73 WeakPolarHBondContact CD2-O 3.38Å; K50-T73 PolarHBondContact NZ-O 3.46Å; K50-T73 PolarHBondContact NZ-OG1 2.74Å; E53-T73 PolarHBondContact OE1-OG1 3.39Å; E53-T73 PolarHBondContact OE2-N 2.66Å; E53-T73 PolarHBondContact OE2-OG1 2.89Å; C71-T73 HydrophobicContact CB-CG2 4.08Å; T73-Y117 HydrophobicContact CG2-CD2 3.69Å; T73-Y117 HydrophobicContact CG2-CE2 4.31Å; T73-Y117 HydrophobicContact CG2-CG 3.83Å; T73-V126 CarbonylContact C-O 3.26Å; T73-V126 VanDerWaalsContact CA-O 3.32Å; T73-V126 WeakPolarHBondContact CA-O 3.45Å
74	I	96.8	Very high	92.4	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.2	165.5	65.1	172.4	0	0	0	110.5	L43 K46 R76 L82 P91 S125 V126 V128	L43-I74 HydrophobicContact CD1-CG2 3.7Å; K46-I74 HydrophobicContact CB-CG2 4.49Å; K46-I74 HydrophobicContact CD-CG2 4.15Å; I74-R76 PolarHBondContact O-N 2.92Å; I74-L82 HydrophobicContact CD1-CD2 4.25Å; I74-P91 HydrophobicContact CD1-CB 3.72Å; I74-P91 HydrophobicContact CD1-CG 4.5Å; I74-S125 CarbonylContact O-C 3.51Å; I74-S125 WeakPolarHBondContact O-CA 3.4Å; I74-V126 PolarHBondContact N-O 2.97Å; I74-V126 PolarHBondContact O-N 3.24Å; I74-V128 HydrophobicContact CD1-CG1 3.96Å; I74-V128 HydrophobicContact CG1-CG1 3.92Å; I74-V128 HydrophobicContact CG2-CG2 4.45Å
75	Q	95.9	Very high	92.2	Very high	134 Å²	134	60.2 Å²	60.2	63%	0.626	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.6	175.3	-169.1	64.5	35.9	0	0	111.5	D124	Q75-D124 PolarHBondContact NE2-O 3.32Å; Q75-D124 VanDerWaalsContact NE2-O 3.1Å
76	R	95.2	Very high	92.1	Very high	50 Å²	50	62.5 Å²	62.5	19%	0.189	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-71.2	134.7	172.8	-170.1	177	-64.3	-102.4	3.4	110.1	I74 F119 C123 D124 V126	I74-R76 PolarHBondContact O-N 2.92Å; R76-F119 PolarHBondContact NH1-O 3.25Å; R76-F119 PolarHBondContact NH2-O 2.87Å; R76-C123 PolarHBondContact NE-O 2.74Å; R76-C123 PolarHBondContact NH2-O 3.02Å; R76-D124 WeakPolarHBondContact CB-O 3.16Å; R76-D124 PolarHBondContact N-O 3Å; R76-V126 HydrophobicContact CB-CG2 3.84Å; R76-V126 HydrophobicContact CG-CG2 4.02Å
77	T	93.3	Very high	92.3	Very high	59 Å²	59	65.3 Å²	65.3	36%	0.362	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-83.5	158.8	169	59	0	0	0	0	110.6	D79 G80 R81	T77-D79 PolarHBondContact O-N 2.82Å; T77-D79 VanDerWaalsContact O-N 3.09Å; T77-D79 PolarHBondContact OG1-OD1 3.27Å; T77-G80 PolarHBondContact O-N 2.73Å; T77-G80 PolarHBondContact OG1-N 3.32Å; T77-R81 PolarHBondContact OG1-N 2.83Å; T77-R81 PolarHBondContact OG1-O 3.43Å
78	L	89.2	Confident	92.7	Very high	194 Å²	194	66 Å²	66	100%	1.016	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.4	178.8	-63.3	175.3	0	0	0	113.8
79	D	89.8	Confident	92.9	Very high	67 Å²	67	63.2 Å²	63.2	36%	0.358	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	4.8	177.5	75.8	-19.1	0	0	0	114	T77 R81	T77-D79 PolarHBondContact O-N 2.82Å; T77-D79 VanDerWaalsContact O-N 3.09Å; T77-D79 PolarHBondContact OG1-OD1 3.27Å; D79-R81 PolarHBondContact O-N 3.3Å; D79-R81 VanDerWaalsContact O-N 3.15Å; D79-R81 PolarHBondContact OD1-N 3.01Å; D79-R81 IonicContact OD2-CZ 2.76Å; D79-R81 IonicContact OD2-NE 2.82Å; D79-R81 PolarHBondContact OD2-NE 2.77Å; D79-R81 IonicContact OD2-NH2 3.12Å; D79-R81 PolarHBondContact OD2-NH2 3.14Å
80	G	90.6	Very high	93	Very high	11 Å²	11	65.3 Å²	65.3	11%	0.113	34%	0.339	C	S	.	.	S	Bend	trans	66.6	4.2	-177.1	0	0	0	0	0	115.9	T77 P91 F119	T77-G80 PolarHBondContact O-N 2.73Å; T77-G80 PolarHBondContact OG1-N 3.32Å; G80-P91 WeakPolarHBondContact O-CD 3.31Å; G80-F119 WeakPolarHBondContact O-CE2 3.43Å
81	R	92.2	Very high	93	Very high	109 Å²	109	59.3 Å²	59.3	41%	0.411	31%	0.313	S	S	.	.			trans	-107.7	135.1	-175.7	-63.2	177.3	-61.5	-159.3	-5.3	112.5	T77 D79 G89 F90	T77-R81 PolarHBondContact OG1-N 2.83Å; T77-R81 PolarHBondContact OG1-O 3.43Å; D79-R81 PolarHBondContact O-N 3.3Å; D79-R81 VanDerWaalsContact O-N 3.15Å; D79-R81 PolarHBondContact OD1-N 3.01Å; D79-R81 IonicContact OD2-CZ 2.76Å; D79-R81 IonicContact OD2-NE 2.82Å; D79-R81 PolarHBondContact OD2-NE 2.77Å; D79-R81 IonicContact OD2-NH2 3.12Å; D79-R81 PolarHBondContact OD2-NH2 3.14Å; R81-G89 CarbonylContact C-O 3.59Å; R81-G89 WeakPolarHBondContact CA-O 3.43Å; R81-F90 HydrophobicContact CG-CD1 4.07Å; R81-F90 HydrophobicContact CG-CE1 3.94Å
82	L	93.8	Very high	93	Very high	13 Å²	13	58.9 Å²	58.9	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.5	169.6	179.2	65	0	0	0	109.7	K46 I74 V84 K88 G89 P91 I94 Y95	K46-L82 VanDerWaalsContact NZ-CD1 3.33Å; I74-L82 HydrophobicContact CD1-CD2 4.25Å; L82-V84 HydrophobicContact CD2-CG2 3.94Å; L82-V84 HydrophobicContact CG-CG2 3.97Å; L82-K88 WeakPolarHBondContact O-CA 3.38Å; L82-G89 PolarHBondContact N-O 3.12Å; L82-G89 PolarHBondContact O-N 2.89Å; L82-P91 HydrophobicContact CB-CB 4.06Å; L82-P91 HydrophobicContact CD2-CB 4.33Å; L82-I94 HydrophobicContact CB-CD1 4.2Å; L82-I94 HydrophobicContact CD2-CD1 4.4Å; L82-Y95 HydrophobicContact CD2-CE2 3.8Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.45Å
83	Q	93.5	Very high	92.9	Very high	111 Å²	111	59.4 Å²	59.4	52%	0.519	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.6	169.4	-165.1	171.9	8.8	0	0	110.4	G86 R87 K88	Q83-G86 PolarHBondContact NE2-O 3.21Å; Q83-R87 CarbonylContact C-O 3.58Å; Q83-R87 VanDerWaalsContact CA-O 3.32Å; Q83-R87 WeakPolarHBondContact CA-O 3.35Å; Q83-K88 HydrophobicContact CB-CG 4.08Å; Q83-K88 HydrophobicContact CG-CG 3.93Å
84	V	91.6	Very high	92.8	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.4	173.9	-177.6	0	0	0	0	108.2	F35 R38 A39 L82 G86 R87	F35-V84 HydrophobicContact CD2-CB 4.42Å; F35-V84 HydrophobicContact CD2-CG1 4.16Å; F35-V84 HydrophobicContact CE2-CB 3.71Å; F35-V84 HydrophobicContact CE2-CG1 3.9Å; F35-V84 WeakPolarHBondContact CE2-O 3.45Å; F35-V84 HydrophobicContact CZ-CB 4.07Å; F35-V84 HydrophobicContact CZ-CG1 4.32Å; R38-V84 HydrophobicContact CB-CG1 4.07Å; A39-V84 HydrophobicContact CB-CG1 3.96Å; A39-V84 HydrophobicContact CB-CG2 4.49Å; L82-V84 HydrophobicContact CD2-CG2 3.94Å; L82-V84 HydrophobicContact CG-CG2 3.97Å; V84-G86 VanDerWaalsContact C-N 3.25Å; V84-G86 PolarHBondContact O-N 3.17Å; V84-G86 VanDerWaalsContact O-N 3.14Å; V84-R87 PolarHBondContact N-O 3.32Å; V84-R87 PolarHBondContact O-N 3.42Å
85	A	87.9	Confident	92.8	Very high	71 Å²	71	59.5 Å²	59.5	59%	0.587	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	47.1	178.6	0	0	0	0	0	113.5	F35 R87	F35-A85 HydrophobicContact CD2-CB 4.24Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 3.41Å
86	G	85.9	Confident	92.8	Very high	56 Å²	56	53.1 Å²	53.1	58%	0.577	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-32.3	-178.5	0	0	0	0	0	115.2	Q83 V84	Q83-G86 PolarHBondContact NE2-O 3.21Å; V84-G86 VanDerWaalsContact C-N 3.25Å; V84-G86 PolarHBondContact O-N 3.17Å; V84-G86 VanDerWaalsContact O-N 3.14Å
87	R	89.2	Confident	92.8	Very high	113 Å²	113	54 Å²	54	43%	0.426	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.8	-177.9	-67.2	165.1	63.4	-160.7	-3.4	111.4	E31 F35 Q83 V84 A85	E31-R87 VanDerWaalsContact CD-NH2 3.31Å; E31-R87 IonicContact OE1-NH2 2.9Å; E31-R87 PolarHBondContact OE1-NH2 2.69Å; E31-R87 IonicContact OE2-CZ 2.68Å; E31-R87 IonicContact OE2-NH1 3.3Å; E31-R87 PolarHBondContact OE2-NH1 2.99Å; E31-R87 IonicContact OE2-NH2 3.39Å; E31-R87 PolarHBondContact OE2-NH2 3.36Å; F35-R87 HydrophobicContact CE2-CB 4.11Å; Q83-R87 CarbonylContact C-O 3.58Å; Q83-R87 VanDerWaalsContact CA-O 3.32Å; Q83-R87 WeakPolarHBondContact CA-O 3.35Å; V84-R87 PolarHBondContact N-O 3.32Å; V84-R87 PolarHBondContact O-N 3.42Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 3.41Å
88	K	91.3	Very high	92.9	Very high	127 Å²	127	51.3 Å²	51.3	55%	0.552	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.1	172.7	-67.6	-170.3	176.6	-170.5	0	110.6	L82 Q83	L82-K88 WeakPolarHBondContact O-CA 3.38Å; Q83-K88 HydrophobicContact CB-CG 4.08Å; Q83-K88 HydrophobicContact CG-CG 3.93Å
89	G	92.3	Very high	93.2	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	170.5	175.9	0	0	0	0	0	112.1	R81 L82	R81-G89 CarbonylContact C-O 3.59Å; R81-G89 WeakPolarHBondContact CA-O 3.43Å; L82-G89 PolarHBondContact N-O 3.12Å; L82-G89 PolarHBondContact O-N 2.89Å
90	F	95.4	Very high	93.4	Very high	64 Å²	64	42.1 Å²	42.1	28%	0.281	22%	0.217	S	C	.	.			trans	-73.2	133.9	175.5	-61.8	-67.8	0	0	0	110.1	R81 H92 V93 I94 K106 F119	R81-F90 HydrophobicContact CG-CD1 4.07Å; R81-F90 HydrophobicContact CG-CE1 3.94Å; F90-H92 PolarHBondContact O-N 3.47Å; F90-V93 HydrophobicContact CB-CB 4.24Å; F90-V93 HydrophobicContact CB-CG2 3.88Å; F90-V93 PolarHBondContact O-N 3.07Å; F90-I94 WeakPolarHBondContact O-CG1 3.5Å; F90-I94 PolarHBondContact O-N 3.46Å; F90-K106 HydrophobicContact CD2-CB 4Å; F90-K106 HydrophobicContact CE2-CB 4.19Å; F90-K106 HydrophobicContact CE2-CD 4.1Å; F90-F119 HydrophobicContact CD1-CE1 4.13Å; F90-F119 AromaticContact CD1-CE2 3.95Å; F90-F119 HydrophobicContact CD1-CE2 3.95Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.42Å; F90-F119 AromaticContact CE1-CZ 3.81Å; F90-F119 HydrophobicContact CE1-CZ 3.81Å; F90-F119 HydrophobicContact CG-CZ 4.29Å
91	P	96.5	Very high	93.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-47.2	-169.8	22.8	-34	0	0	0	112.9	I74 G80 L82 V93 I94 Y95 V126 V128	I74-P91 HydrophobicContact CD1-CB 3.72Å; I74-P91 HydrophobicContact CD1-CG 4.5Å; G80-P91 WeakPolarHBondContact O-CD 3.31Å; L82-P91 HydrophobicContact CB-CB 4.06Å; L82-P91 HydrophobicContact CD2-CB 4.33Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 2.92Å; P91-I94 PolarHBondContact O-N 2.65Å; P91-Y95 WeakPolarHBondContact O-CD2 3.49Å; P91-Y95 PolarHBondContact O-N 2.88Å; P91-V126 HydrophobicContact CG-CB 4.39Å; P91-V126 HydrophobicContact CG-CG1 3.97Å; P91-V128 HydrophobicContact CB-CG1 3.95Å
92	H	96.2	Very high	93.3	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-41.8	177.3	66.1	-70.3	0	0	0	112.5	F90 A96 F119 Y133	F90-H92 PolarHBondContact O-N 3.47Å; H92-A96 WeakPolarHBondContact O-CB 3.37Å; H92-A96 PolarHBondContact O-N 2.97Å; H92-F119 HydrophobicContact CB-CB 4.45Å; H92-F119 AromaticContact CE1-CD1 3.24Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.47Å; H92-F119 AromaticContact CE1-CD2 3.69Å; H92-F119 AromaticContact CE1-CE1 3.8Å; H92-F119 AromaticContact CE1-CG 3.17Å; H92-F119 WeakPolarHBondContact CE1-CG 3.36Å; H92-F119 WeakPolarHBondContact ND1-CB 3.44Å; H92-F119 AromaticContact ND1-CD1 3.84Å; H92-F119 AromaticContact ND1-CD2 3.44Å; H92-F119 WeakPolarHBondContact ND1-CD2 3.39Å; H92-F119 AromaticContact ND1-CG 3.25Å; H92-F119 WeakPolarHBondContact ND1-CG 3.4Å; H92-F119 AromaticContact NE2-CD1 3.94Å; H92-F119 AromaticContact NE2-CG 3.99Å; H92-Y133 HydrophobicContact CB-CD2 4.46Å; H92-Y133 HydrophobicContact CB-CE1 4.06Å; H92-Y133 HydrophobicContact CB-CE2 3.71Å; H92-Y133 VanDerWaalsContact CB-CZ 3.48Å; H92-Y133 WeakPolarHBondContact CB-OH 3.28Å; H92-Y133 AromaticContact CD2-CE1 3.78Å
93	V	96.1	Very high	93	Very high	12 Å²	12	41 Å²	41	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-43.3	175.5	-176.9	0	0	0	0	111.8	F90 P91 Y95 R97 L104 K106 L109	F90-V93 HydrophobicContact CB-CB 4.24Å; F90-V93 HydrophobicContact CB-CG2 3.88Å; F90-V93 PolarHBondContact O-N 3.07Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 2.92Å; V93-Y95 PolarHBondContact O-N 3.5Å; V93-R97 VanDerWaalsContact O-CB 3.25Å; V93-R97 WeakPolarHBondContact O-CB 3.48Å; V93-R97 PolarHBondContact O-N 3.18Å; V93-L104 HydrophobicContact CG1-CD2 4.03Å; V93-L104 HydrophobicContact CG1-CG 4.49Å; V93-K106 HydrophobicContact CG2-CB 4.46Å; V93-L109 HydrophobicContact CG2-CD1 4.28Å
94	I	95.6	Very high	92.8	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.092	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-49.2	179.2	-70.6	164.2	0	0	0	110.6	F35 L82 F90 P91 R97 L98	F35-I94 HydrophobicContact CE1-CG2 4.17Å; F35-I94 HydrophobicContact CZ-CG2 4.18Å; L82-I94 HydrophobicContact CB-CD1 4.2Å; L82-I94 HydrophobicContact CD2-CD1 4.4Å; F90-I94 WeakPolarHBondContact O-CG1 3.5Å; F90-I94 PolarHBondContact O-N 3.46Å; P91-I94 PolarHBondContact O-N 2.65Å; I94-R97 PolarHBondContact O-N 3.4Å; I94-L98 HydrophobicContact CG2-CD1 4.27Å; I94-L98 WeakPolarHBondContact O-CG 3.31Å; I94-L98 PolarHBondContact O-N 3.22Å
95	Y	97.3	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-78.4	-33.2	-176.2	-64.3	-65.1	0	0	0	113	A39 L43 L82 P91 V93 R97 L98 W99 V128	A39-Y95 HydrophobicContact CB-CE1 4.17Å; A39-Y95 PolarHBondContact O-OH 2.91Å; L43-Y95 HydrophobicContact CB-CE1 3.91Å; L43-Y95 HydrophobicContact CD1-CE2 4.4Å; L43-Y95 HydrophobicContact CD2-CD1 3.89Å; L43-Y95 HydrophobicContact CD2-CE1 3.7Å; L43-Y95 HydrophobicContact CD2-CE2 4.43Å; L43-Y95 HydrophobicContact CD2-CG 4.34Å; L43-Y95 HydrophobicContact CG-CE1 4.31Å; L82-Y95 HydrophobicContact CD2-CE2 3.8Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.45Å; P91-Y95 WeakPolarHBondContact O-CD2 3.49Å; P91-Y95 PolarHBondContact O-N 2.88Å; V93-Y95 PolarHBondContact O-N 3.5Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 3.07Å; Y95-L98 HydrophobicContact CD1-CD1 3.97Å; Y95-L98 HydrophobicContact CE1-CD1 4.4Å; Y95-L98 PolarHBondContact O-N 3.26Å; Y95-W99 HydrophobicContact CD1-CE3 4.4Å; Y95-W99 AromaticContact CD1-CH2 3.92Å; Y95-W99 HydrophobicContact CD1-CH2 3.92Å; Y95-W99 AromaticContact CD1-CZ3 3.51Å; Y95-W99 HydrophobicContact CD1-CZ3 3.51Å; Y95-W99 AromaticContact CG-CZ3 4Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.43Å; Y95-V128 HydrophobicContact CD2-CB 3.53Å; Y95-V128 HydrophobicContact CD2-CG1 3.72Å; Y95-V128 HydrophobicContact CD2-CG2 4.09Å; Y95-V128 HydrophobicContact CE2-CB 4.16Å; Y95-V128 HydrophobicContact CE2-CG1 4.05Å; Y95-V128 HydrophobicContact CE2-CG2 4.39Å; Y95-V128 HydrophobicContact CG-CB 4.21Å
96	A	96.3	Very high	92.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-38.2	169	0	0	0	0	0	112.5	H92 R100 W101 L104 L109 P130	H92-A96 WeakPolarHBondContact O-CB 3.37Å; H92-A96 PolarHBondContact O-N 2.97Å; A96-R100 PolarHBondContact O-N 2.91Å; A96-W101 HydrophobicContact CB-CE3 4.34Å; A96-W101 PolarHBondContact O-N 2.93Å; A96-L104 HydrophobicContact CB-CD2 3.69Å; A96-L109 HydrophobicContact CB-CD1 3.87Å; A96-P130 HydrophobicContact CB-CB 4.29Å
97	R	94.4	Very high	92.1	Very high	67 Å²	67	43.5 Å²	43.5	25%	0.253	20%	0.203	S	C	.	.	H	α-helix	trans	-66.8	-38.8	175.9	-172	-176.6	-75.8	-174.7	-9.6	112.8	E31 V93 I94 Y95 W101 P102 L104	E31-R97 HydrophobicContact CG-CG 4.3Å; E31-R97 WeakPolarHBondContact OE1-CD 3.21Å; E31-R97 IonicContact OE1-CZ 3.15Å; E31-R97 IonicContact OE1-NE 3.49Å; E31-R97 IonicContact OE1-NH1 3.72Å; E31-R97 PolarHBondContact OE1-NH1 3.35Å; V93-R97 VanDerWaalsContact O-CB 3.25Å; V93-R97 WeakPolarHBondContact O-CB 3.48Å; V93-R97 PolarHBondContact O-N 3.18Å; I94-R97 PolarHBondContact O-N 3.4Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 3.07Å; R97-W101 WeakPolarHBondContact CA-O 3.38Å; R97-W101 WeakPolarHBondContact CG-O 3.4Å; R97-P102 WeakPolarHBondContact CD-O 3.46Å; R97-P102 WeakPolarHBondContact CG-O 3.45Å; R97-L104 PolarHBondContact NE-O 3.16Å; R97-L104 PolarHBondContact NH2-O 3.25Å
98	L	95.2	Very high	92.1	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-41.6	179.5	-75.3	167.8	0	0	0	113.3	R27 Q28 E31 A36 A39 I94 Y95	R27-L98 CarbonylContact C-O 3.59Å; R27-L98 VanDerWaalsContact CA-O 3.26Å; R27-L98 WeakPolarHBondContact CA-O 3.41Å; Q28-L98 PolarHBondContact N-O 2.91Å; E31-L98 HydrophobicContact CB-CD2 4.04Å; E31-L98 HydrophobicContact CG-CD2 4.38Å; A36-L98 HydrophobicContact CB-CD2 3.57Å; A39-L98 HydrophobicContact CB-CD1 3.74Å; I94-L98 HydrophobicContact CG2-CD1 4.27Å; I94-L98 WeakPolarHBondContact O-CG 3.31Å; I94-L98 PolarHBondContact O-N 3.22Å; Y95-L98 HydrophobicContact CD1-CD1 3.97Å; Y95-L98 HydrophobicContact CE1-CD1 4.4Å; Y95-L98 PolarHBondContact O-N 3.26Å
99	W	96.5	Very high	92.2	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-113.5	-11.4	-168.6	-68.8	-60.9	0	0	0	116.3	L23 Q28 I40 L43 L57 I61 Y95 P130	L23-W99 HydrophobicContact CB-CZ2 4.15Å; L23-W99 PolarHBondContact O-NE1 3.5Å; Q28-W99 WeakPolarHBondContact CG-O 3.06Å; Q28-W99 PolarHBondContact NE2-O 2.77Å; I40-W99 HydrophobicContact CD1-CH2 4.45Å; I40-W99 HydrophobicContact CD1-CZ2 3.55Å; I40-W99 HydrophobicContact CG1-CH2 4.02Å; I40-W99 HydrophobicContact CG1-CZ2 3.58Å; I40-W99 HydrophobicContact CG2-CZ2 4.48Å; L43-W99 HydrophobicContact CD2-CH2 3.93Å; L43-W99 HydrophobicContact CD2-CZ3 4.14Å; L57-W99 HydrophobicContact CD1-CH2 4.44Å; L57-W99 HydrophobicContact CD1-CZ3 4.26Å; I61-W99 HydrophobicContact CD1-CB 3.83Å; I61-W99 HydrophobicContact CD1-CD2 3.55Å; I61-W99 HydrophobicContact CD1-CE3 3.73Å; I61-W99 HydrophobicContact CD1-CG 3.6Å; I61-W99 HydrophobicContact CD1-CZ3 4.44Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.3Å; I61-W99 HydrophobicContact CG1-CG 4.2Å; I61-W99 HydrophobicContact CG1-CZ2 4.43Å; I61-W99 HydrophobicContact CG2-CG 4.16Å; Y95-W99 HydrophobicContact CD1-CE3 4.4Å; Y95-W99 AromaticContact CD1-CH2 3.92Å; Y95-W99 HydrophobicContact CD1-CH2 3.92Å; Y95-W99 AromaticContact CD1-CZ3 3.51Å; Y95-W99 HydrophobicContact CD1-CZ3 3.51Å; Y95-W99 AromaticContact CG-CZ3 4Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.43Å; W99-P130 HydrophobicContact CB-CG 4.09Å; W99-P130 HydrophobicContact CE3-CG 4.17Å
100	R	93.3	Very high	92.3	Very high	67 Å²	67	39.7 Å²	39.7	25%	0.253	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-49.7	179.4	-63.6	-175.4	72.6	-168.3	2.4	114.5	A96 P130 Y131 Y133	A96-R100 PolarHBondContact O-N 2.91Å; R100-P130 WeakPolarHBondContact CD-O 3.23Å; R100-P130 HydrophobicContact CG-CB 4.09Å; R100-P130 HydrophobicContact CG-CG 4.49Å; R100-P130 PolarHBondContact NH1-O 3.5Å; R100-Y131 HydrophobicContact CG-CE1 3.99Å; R100-Y131 HydrophobicContact CG-CE2 4.48Å; R100-Y133 PolarHBondContact NH1-O 3.24Å
101	W	93	Very high	92.2	Very high	18 Å²	18	39 Å²	39	7%	0.068	18%	0.182	C	C	.	.			trans	-134.9	84.8	-167.1	-60.2	-58.8	0	0	0	112.6	A96 R97 D103 L104 L109 R135	A96-W101 HydrophobicContact CB-CE3 4.34Å; A96-W101 PolarHBondContact O-N 2.93Å; R97-W101 WeakPolarHBondContact CA-O 3.38Å; R97-W101 WeakPolarHBondContact CG-O 3.4Å; W101-D103 PolarHBondContact O-N 2.8Å; W101-L104 HydrophobicContact CB-CB 3.79Å; W101-L104 HydrophobicContact CB-CD1 4.39Å; W101-L104 HydrophobicContact CE3-CD1 4.25Å; W101-L104 HydrophobicContact CE3-CD2 4.42Å; W101-L104 WeakPolarHBondContact O-CB 3.33Å; W101-L104 PolarHBondContact O-N 3.15Å; W101-L109 HydrophobicContact CE3-CD2 3.85Å; W101-L109 HydrophobicContact CH2-CD2 4.43Å; W101-L109 HydrophobicContact CZ3-CD2 3.48Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.48Å; W101-R135 HydrophobicContact CD2-CB 4.18Å; W101-R135 HydrophobicContact CE3-CB 4.37Å; W101-R135 HydrophobicContact CH2-CB 3.88Å; W101-R135 VanDerWaalsContact CH2-N 3.33Å; W101-R135 HydrophobicContact CZ2-CB 3.67Å; W101-R135 HydrophobicContact CZ3-CB 4.25Å
102	P	88.7	Confident	92.1	Very high	40 Å²	40	39.1 Å²	39.1	26%	0.26	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-31.6	-179.9	-31.1	37.2	0	0	0	115.2	Q28 R97	Q28-P102 HydrophobicContact CB-CG 3.47Å; Q28-P102 VanDerWaalsContact CB-CG 3.47Å; Q28-P102 VanDerWaalsContact O-CG 3.23Å; Q28-P102 WeakPolarHBondContact O-CG 3.24Å; R97-P102 WeakPolarHBondContact CD-O 3.46Å; R97-P102 WeakPolarHBondContact CG-O 3.45Å
103	D	86.4	Confident	91.9	Very high	53 Å²	53	49 Å²	49	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.4	-176.4	61.9	-51.1	0	0	0	114.5	W101 H105 R135 R497	W101-D103 PolarHBondContact O-N 2.8Å; D103-H105 PolarHBondContact O-N 2.96Å; D103-R135 IonicContact OD1-NH1 2.78Å; D103-R135 PolarHBondContact OD1-NH1 3.36Å; D103-R135 IonicContact OD1-NH2 2.82Å; D103-R135 IonicContact OD2-CZ 3.59Å; D103-R135 IonicContact OD2-NH1 2.98Å; D103-R135 PolarHBondContact OD2-NH1 3.28Å; D103-R135 IonicContact OD2-NH2 3.57Å; D103-R135 PolarHBondContact OD2-NH2 3.33Å; D103-R497 IonicContact OD1-NH2 3.25Å; D103-R497 PolarHBondContact OD1-NH2 2.86Å; D103-R497 IonicContact OD2-NH2 3.44Å; D103-R497 PolarHBondContact OD2-NH2 3.26Å
104	L	88.9	Confident	91.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.249	C	C	.	.			trans	-56	130.2	-171.4	-177.7	73.5	0	0	0	113.8	V93 A96 R97 W101 E108 L109 R135	V93-L104 HydrophobicContact CG1-CD2 4.03Å; V93-L104 HydrophobicContact CG1-CG 4.49Å; A96-L104 HydrophobicContact CB-CD2 3.69Å; R97-L104 PolarHBondContact NE-O 3.16Å; R97-L104 PolarHBondContact NH2-O 3.25Å; W101-L104 HydrophobicContact CB-CB 3.79Å; W101-L104 HydrophobicContact CB-CD1 4.39Å; W101-L104 HydrophobicContact CE3-CD1 4.25Å; W101-L104 HydrophobicContact CE3-CD2 4.42Å; W101-L104 WeakPolarHBondContact O-CB 3.33Å; W101-L104 PolarHBondContact O-N 3.15Å; L104-E108 HydrophobicContact CD1-CB 3.78Å; L104-L109 HydrophobicContact CD1-CD2 3.68Å; L104-L109 HydrophobicContact CD1-CG 3.98Å; L104-L109 HydrophobicContact CD2-CD1 3.77Å; L104-L109 HydrophobicContact CD2-CD2 3.87Å; L104-L109 HydrophobicContact CD2-CG 3.82Å; L104-L109 HydrophobicContact CG-CD2 4.39Å; L104-L109 HydrophobicContact CG-CG 4.37Å; L104-R135 HydrophobicContact CD1-CG 4.05Å
105	H	84.9	Confident	91.8	Very high	86 Å²	86	54.5 Å²	54.5	40%	0.398	25%	0.246	S	C	.	.			trans	-95.1	155.6	169.5	-175.6	-111.1	0	0	0	112.4	D103 N107 E108	D103-H105 PolarHBondContact O-N 2.96Å; H105-N107 PolarHBondContact O-N 2.99Å; H105-E108 HydrophobicContact CB-CG 3.98Å; H105-E108 PolarHBondContact N-OE2 3.26Å; H105-E108 WeakPolarHBondContact O-CB 3.26Å; H105-E108 PolarHBondContact O-N 3.22Å; H105-E108 VanDerWaalsContact O-N 3.08Å
106	K	82.9	Confident	91.7	Very high	109 Å²	109	61 Å²	61	47%	0.474	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.2	-171.9	52.9	161.8	-176.4	-172.6	0	116.1	F90 V93	F90-K106 HydrophobicContact CD2-CB 4Å; F90-K106 HydrophobicContact CE2-CB 4.19Å; F90-K106 HydrophobicContact CE2-CD 4.1Å; V93-K106 HydrophobicContact CG2-CB 4.46Å
107	N	84.7	Confident	91.8	Very high	102 Å²	102	65.5 Å²	65.5	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	3	-177.8	-62.8	2	0	0	0	112.5	H105	H105-N107 PolarHBondContact O-N 2.99Å
108	E	89.2	Confident	91.9	Very high	38 Å²	38	62.3 Å²	62.3	18%	0.178	28%	0.282	C	S	.	.	S	Bend	trans	-98.5	16.9	-173.6	-61.9	178.2	164.5	0	0	112.7	L104 H105 R135 V136	L104-E108 HydrophobicContact CD1-CB 3.78Å; H105-E108 HydrophobicContact CB-CG 3.98Å; H105-E108 PolarHBondContact N-OE2 3.26Å; H105-E108 WeakPolarHBondContact O-CB 3.26Å; H105-E108 PolarHBondContact O-N 3.22Å; H105-E108 VanDerWaalsContact O-N 3.08Å; E108-R135 HydrophobicContact CB-CG 4.21Å; E108-R135 CarbonylContact O-C 3.5Å; E108-R135 WeakPolarHBondContact O-CA 3.34Å; E108-R135 WeakPolarHBondContact O-CG 3.37Å; E108-R135 IonicContact OE1-NH2 3.5Å; E108-R135 IonicContact OE2-CZ 3.18Å; E108-R135 IonicContact OE2-NE 2.71Å; E108-R135 PolarHBondContact OE2-NE 2.71Å; E108-R135 VanDerWaalsContact OE2-NE 3.17Å; E108-R135 IonicContact OE2-NH2 3.39Å; E108-R135 PolarHBondContact OE2-NH2 2.93Å; E108-V136 VanDerWaalsContact CA-O 3.32Å; E108-V136 WeakPolarHBondContact CA-O 3.46Å; E108-V136 WeakPolarHBondContact CB-O 3.47Å; E108-V136 PolarHBondContact O-N 3.24Å
109	L	92.4	Very high	91.9	Very high	18 Å²	18	63.8 Å²	63.8	9%	0.094	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.4	176.1	-68.6	-174.7	0	0	0	111.5	V93 A96 W101 L104 Y133 E134	V93-L109 HydrophobicContact CG2-CD1 4.28Å; A96-L109 HydrophobicContact CB-CD1 3.87Å; W101-L109 HydrophobicContact CE3-CD2 3.85Å; W101-L109 HydrophobicContact CH2-CD2 4.43Å; W101-L109 HydrophobicContact CZ3-CD2 3.48Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.48Å; L104-L109 HydrophobicContact CD1-CD2 3.68Å; L104-L109 HydrophobicContact CD1-CG 3.98Å; L104-L109 HydrophobicContact CD2-CD1 3.77Å; L104-L109 HydrophobicContact CD2-CD2 3.87Å; L104-L109 HydrophobicContact CD2-CG 3.82Å; L104-L109 HydrophobicContact CG-CD2 4.39Å; L104-L109 HydrophobicContact CG-CG 4.37Å; L109-Y133 HydrophobicContact CB-CD1 4.28Å; L109-Y133 HydrophobicContact CD1-CD1 4.37Å; L109-Y133 HydrophobicContact CD1-CG 4.28Å; L109-E134 WeakPolarHBondContact CA-O 3.3Å
110	K	93.7	Very high	91.7	Very high	124 Å²	124	67.5 Å²	67.5	54%	0.539	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.3	164.4	-173.8	177.4	179.4	-178	0	108.2	Y133 E134 V136	K110-Y133 CarbonylContact O-C 3.49Å; K110-Y133 VanDerWaalsContact O-CA 3.27Å; K110-Y133 WeakPolarHBondContact O-CA 3.42Å; K110-E134 PolarHBondContact N-O 3.46Å; K110-E134 PolarHBondContact O-N 3.3Å; K110-V136 HydrophobicContact CB-CG1 3.73Å; K110-V136 HydrophobicContact CB-CG2 4.32Å; K110-V136 HydrophobicContact CD-CG1 4.36Å
111	H	94.1	Very high	91.8	Very high	48 Å²	48	68.4 Å²	68.4	22%	0.222	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	148.6	179.1	60.4	-88.4	0	0	0	112.6	A118 D120 H132 Y133	H111-A118 HydrophobicContact CB-CB 3.27Å; H111-D120 IonicContact CE1-OD2 3.7Å; H111-D120 IonicContact ND1-OD2 3.57Å; H111-D120 PolarHBondContact ND1-OD2 2.83Å; H111-H132 WeakPolarHBondContact CA-O 3.49Å; H111-Y133 HydrophobicContact CB-CD1 4.01Å; H111-Y133 HydrophobicContact CB-CE1 4Å
112	V	93.4	Very high	91.8	Very high	8 Å²	8	75.8 Å²	75.8	5%	0.048	35%	0.35	C	S	.	.			trans	-68.9	147	171.7	-58.6	0	0	0	0	110.4	Y114 C115 H132 E134	V112-Y114 HydrophobicContact CB-CD1 4.2Å; V112-Y114 HydrophobicContact CB-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE1 4.47Å; V112-Y114 HydrophobicContact CG2-CD1 3.93Å; V112-Y114 HydrophobicContact CG2-CD2 3.79Å; V112-Y114 HydrophobicContact CG2-CE1 3.61Å; V112-Y114 HydrophobicContact CG2-CE2 3.47Å; V112-Y114 VanDerWaalsContact CG2-CE2 3.47Å; V112-Y114 HydrophobicContact CG2-CG 4.01Å; V112-Y114 PolarHBondContact O-N 3.25Å; V112-C115 HydrophobicContact CG2-CB 3.84Å; V112-C115 WeakPolarHBondContact O-CB 3.4Å; V112-C115 PolarHBondContact O-N 3.4Å; V112-H132 HydrophobicContact CG2-CB 4.26Å; V112-H132 WeakPolarHBondContact CG2-O 3.3Å; V112-H132 PolarHBondContact N-O 3.05Å; V112-E134 HydrophobicContact CG1-CG 3.94Å
113	K	92.6	Very high	92	Very high	217 Å²	217	75.9 Å²	75.9	94%	0.943	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28	-172.9	-65.6	-177.3	-177.1	175.5	0	114.7
114	Y	93	Very high	92.5	Very high	142 Å²	142	79.5 Å²	79.5	56%	0.557	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2	-178.8	59.6	-99.4	0	0	0	114.3	V112 Q116 H132	V112-Y114 HydrophobicContact CB-CD1 4.2Å; V112-Y114 HydrophobicContact CB-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE1 4.47Å; V112-Y114 HydrophobicContact CG2-CD1 3.93Å; V112-Y114 HydrophobicContact CG2-CD2 3.79Å; V112-Y114 HydrophobicContact CG2-CE1 3.61Å; V112-Y114 HydrophobicContact CG2-CE2 3.47Å; V112-Y114 VanDerWaalsContact CG2-CE2 3.47Å; V112-Y114 HydrophobicContact CG2-CG 4.01Å; V112-Y114 PolarHBondContact O-N 3.25Å; Y114-Q116 PolarHBondContact O-N 2.96Å; Y114-H132 AromaticContact CE2-NE2 3.85Å
115	C	96.2	Very high	92.8	Very high	3 Å²	3	80.9 Å²	80.9	2%	0.02	38%	0.38	C	S	.	.			trans	-80.5	97.3	179.1	176.7	0	0	0	0	111.8	V112 Y117 A118 L121 C127 H132	V112-C115 HydrophobicContact CG2-CB 3.84Å; V112-C115 WeakPolarHBondContact O-CB 3.4Å; V112-C115 PolarHBondContact O-N 3.4Å; C115-Y117 VanDerWaalsContact C-N 3.26Å; C115-Y117 PolarHBondContact O-N 3.21Å; C115-A118 HydrophobicContact CB-CB 4.39Å; C115-A118 PolarHBondContact O-N 3.47Å; C115-A118 PolarHBondContact SG-N 2.85Å; C115-A118 VanDerWaalsContact SG-N 3.44Å; C115-L121 WeakPolarHBondContact O-CD1 3.45Å; C115-C127 VanDerWaalsContact SG-CB 3.5Å; C115-H132 HydrophobicContact CB-CB 3.95Å
116	Q	96.6	Very high	93.4	Very high	138 Å²	138	76.9 Å²	76.9	65%	0.645	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21	-175.3	-60	178.2	24.6	0	0	114.9	Y114 L121	Y114-Q116 PolarHBondContact O-N 2.96Å; Q116-L121 WeakPolarHBondContact O-CD1 3.25Å
117	Y	97.7	Very high	94.2	Very high	94 Å²	94	71.7 Å²	71.7	37%	0.369	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	26.1	-176.1	-58.8	-80.8	0	0	0	112.8	C71 T73 C115 C123 V126 C127	C71-Y117 HydrophobicContact CB-CD2 3.84Å; T73-Y117 HydrophobicContact CG2-CD2 3.69Å; T73-Y117 HydrophobicContact CG2-CE2 4.31Å; T73-Y117 HydrophobicContact CG2-CG 3.83Å; C115-Y117 VanDerWaalsContact C-N 3.26Å; C115-Y117 PolarHBondContact O-N 3.21Å; Y117-C123 HydrophobicContact CD1-CB 4.43Å; Y117-V126 CarbonylContact O-C 3.48Å; Y117-V126 WeakPolarHBondContact O-CA 3.46Å; Y117-C127 WeakPolarHBondContact O-CB 3.33Å; Y117-C127 PolarHBondContact O-N 3.41Å
118	A	96.1	Very high	94.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.313	C	S	.	.			trans	-55.9	149.7	-178.5	0	0	0	0	0	112.7	H111 C115 D120 L121	H111-A118 HydrophobicContact CB-CB 3.27Å; C115-A118 HydrophobicContact CB-CB 4.39Å; C115-A118 PolarHBondContact O-N 3.47Å; C115-A118 PolarHBondContact SG-N 2.85Å; C115-A118 VanDerWaalsContact SG-N 3.44Å; A118-D120 PolarHBondContact O-N 3.4Å; A118-D120 VanDerWaalsContact O-N 3.16Å; A118-L121 HydrophobicContact CB-CD1 3.94Å; A118-L121 HydrophobicContact CB-CG 4.02Å; A118-L121 WeakPolarHBondContact O-CB 3.4Å; A118-L121 PolarHBondContact O-N 3.23Å; A118-L121 VanDerWaalsContact O-N 3.08Å
119	F	95.5	Very high	95.2	Very high	33 Å²	33	65 Å²	65	15%	0.145	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-54.1	-40.1	-176.5	-178.9	-99.8	0	0	0	113.2	R76 G80 F90 H92 L121 K122 V126 Y133	R76-F119 PolarHBondContact NH1-O 3.25Å; R76-F119 PolarHBondContact NH2-O 2.87Å; G80-F119 WeakPolarHBondContact O-CE2 3.43Å; F90-F119 HydrophobicContact CD1-CE1 4.13Å; F90-F119 AromaticContact CD1-CE2 3.95Å; F90-F119 HydrophobicContact CD1-CE2 3.95Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.42Å; F90-F119 AromaticContact CE1-CZ 3.81Å; F90-F119 HydrophobicContact CE1-CZ 3.81Å; F90-F119 HydrophobicContact CG-CZ 4.29Å; H92-F119 HydrophobicContact CB-CB 4.45Å; H92-F119 AromaticContact CE1-CD1 3.24Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.47Å; H92-F119 AromaticContact CE1-CD2 3.69Å; H92-F119 AromaticContact CE1-CE1 3.8Å; H92-F119 AromaticContact CE1-CG 3.17Å; H92-F119 WeakPolarHBondContact CE1-CG 3.36Å; H92-F119 WeakPolarHBondContact ND1-CB 3.44Å; H92-F119 AromaticContact ND1-CD1 3.84Å; H92-F119 AromaticContact ND1-CD2 3.44Å; H92-F119 WeakPolarHBondContact ND1-CD2 3.39Å; H92-F119 AromaticContact ND1-CG 3.25Å; H92-F119 WeakPolarHBondContact ND1-CG 3.4Å; H92-F119 AromaticContact NE2-CD1 3.94Å; H92-F119 AromaticContact NE2-CG 3.99Å; F119-L121 VanDerWaalsContact C-N 3.33Å; F119-L121 PolarHBondContact O-N 2.96Å; F119-K122 PolarHBondContact O-N 2.67Å; F119-V126 HydrophobicContact CB-CG1 4.1Å; F119-V126 HydrophobicContact CD2-CG1 3.91Å; F119-V126 HydrophobicContact CD2-CG2 4.41Å; F119-Y133 PolarHBondContact N-OH 3.13Å; F119-Y133 VanDerWaalsContact N-OH 3.09Å
120	D	93.4	Very high	95.4	Very high	80 Å²	80	64.2 Å²	64.2	43%	0.428	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-72.2	-22.6	-177.2	-46	-49.7	0	0	0	113.9	H111 A118 K122	H111-D120 IonicContact CE1-OD2 3.7Å; H111-D120 IonicContact ND1-OD2 3.57Å; H111-D120 PolarHBondContact ND1-OD2 2.83Å; A118-D120 PolarHBondContact O-N 3.4Å; A118-D120 VanDerWaalsContact O-N 3.16Å; D120-K122 PolarHBondContact O-N 3.17Å
121	L	94.5	Very high	95.5	Very high	85 Å²	85	59.6 Å²	59.6	45%	0.445	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.5	-6.7	177.8	-61.8	176.3	0	0	0	112.8	C115 Q116 A118 F119 C123	C115-L121 WeakPolarHBondContact O-CD1 3.45Å; Q116-L121 WeakPolarHBondContact O-CD1 3.25Å; A118-L121 HydrophobicContact CB-CD1 3.94Å; A118-L121 HydrophobicContact CB-CG 4.02Å; A118-L121 WeakPolarHBondContact O-CB 3.4Å; A118-L121 PolarHBondContact O-N 3.23Å; A118-L121 VanDerWaalsContact O-N 3.08Å; F119-L121 VanDerWaalsContact C-N 3.33Å; F119-L121 PolarHBondContact O-N 2.96Å; L121-C123 PolarHBondContact O-N 3.09Å
122	K	92.5	Very high	95.7	Very high	173 Å²	173	57.4 Å²	57.4	75%	0.752	27%	0.27	S	S	*	.			trans	57.4	14.1	174.2	-64.8	173.5	-174.3	175.7	0	116	F119 D120	F119-K122 PolarHBondContact O-N 2.67Å; D120-K122 PolarHBondContact O-N 3.17Å
123	C	94.3	Very high	95.8	Very high	43 Å²	43	57.1 Å²	57.1	29%	0.291	27%	0.268	S	S	.	.			trans	-57.9	156.9	173.7	-46.9	0	0	0	0	112.6	R76 Y117 L121 S125	R76-C123 PolarHBondContact NE-O 2.74Å; R76-C123 PolarHBondContact NH2-O 3.02Å; Y117-C123 HydrophobicContact CD1-CB 4.43Å; L121-C123 PolarHBondContact O-N 3.09Å; C123-S125 PolarHBondContact O-N 3.16Å
124	D	95.5	Very high	95.9	Very high	129 Å²	129	50.7 Å²	50.7	69%	0.69	24%	0.241	S	C	*	.	S	Bend	trans	-58.4	-22.3	178.3	-64.3	-30.2	0	0	0	114.1	Q75 R76	Q75-D124 PolarHBondContact NE2-O 3.32Å; Q75-D124 VanDerWaalsContact NE2-O 3.1Å; R76-D124 WeakPolarHBondContact CB-O 3.16Å; R76-D124 PolarHBondContact N-O 3Å
125	S	96.5	Very high	95.8	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152	171.6	-76.2	0	0	0	0	111.7	I74 C123	I74-S125 CarbonylContact O-C 3.51Å; I74-S125 WeakPolarHBondContact O-CA 3.4Å; C123-S125 PolarHBondContact O-N 3.16Å
126	V	97.3	Very high	95.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.2	-179.5	-173.3	0	0	0	0	110.4	T73 I74 R76 P91 Y117 F119	T73-V126 CarbonylContact C-O 3.26Å; T73-V126 VanDerWaalsContact CA-O 3.32Å; T73-V126 WeakPolarHBondContact CA-O 3.45Å; I74-V126 PolarHBondContact N-O 2.97Å; I74-V126 PolarHBondContact O-N 3.24Å; R76-V126 HydrophobicContact CB-CG2 3.84Å; R76-V126 HydrophobicContact CG-CG2 4.02Å; P91-V126 HydrophobicContact CG-CB 4.39Å; P91-V126 HydrophobicContact CG-CG1 3.97Å; Y117-V126 CarbonylContact O-C 3.48Å; Y117-V126 WeakPolarHBondContact O-CA 3.46Å; F119-V126 HydrophobicContact CB-CG1 4.1Å; F119-V126 HydrophobicContact CD2-CG1 3.91Å; F119-V126 HydrophobicContact CD2-CG2 4.41Å
127	C	98.2	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.8	170.5	-168.6	0	0	0	0	110.6	C71 V72 C115 Y117 H132 Y133	C71-C127 HydrophobicContact CB-CB 4.45Å; V72-C127 CarbonylContact O-C 3.5Å; V72-C127 VanDerWaalsContact O-CA 3.24Å; V72-C127 WeakPolarHBondContact O-CA 3.49Å; C115-C127 VanDerWaalsContact SG-CB 3.5Å; Y117-C127 WeakPolarHBondContact O-CB 3.33Å; Y117-C127 PolarHBondContact O-N 3.41Å; C127-H132 PolarHBondContact SG-ND1 3.39Å; C127-Y133 WeakPolarHBondContact O-CE2 3.41Å; C127-Y133 PolarHBondContact O-OH 3.42Å
128	V	98	Very high	92.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.228	C	C	.	.			trans	-119.9	7	177.5	-59.9	0	0	0	0	113.1	L43 V72 I74 P91 Y95 P130	L43-V128 HydrophobicContact CD1-CG2 3.74Å; L43-V128 HydrophobicContact CD2-CG2 4.14Å; V72-V128 HydrophobicContact CB-CG2 4.41Å; V72-V128 HydrophobicContact CG1-CG2 4.01Å; V72-V128 PolarHBondContact O-N 3Å; I74-V128 HydrophobicContact CD1-CG1 3.96Å; I74-V128 HydrophobicContact CG1-CG1 3.92Å; I74-V128 HydrophobicContact CG2-CG2 4.45Å; P91-V128 HydrophobicContact CB-CG1 3.95Å; Y95-V128 HydrophobicContact CD2-CB 3.53Å; Y95-V128 HydrophobicContact CD2-CG1 3.72Å; Y95-V128 HydrophobicContact CD2-CG2 4.09Å; Y95-V128 HydrophobicContact CE2-CB 4.16Å; Y95-V128 HydrophobicContact CE2-CG1 4.05Å; Y95-V128 HydrophobicContact CE2-CG2 4.39Å; Y95-V128 HydrophobicContact CG-CB 4.21Å; V128-P130 WeakPolarHBondContact O-CD 3.36Å
129	N	97.6	Very high	89.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.			trans	-63.7	116.2	168.7	-175.2	-22.8	0	0	0	108.4	S69 K70 V72 Y131 H132 Y133	S69-N129 PolarHBondContact OG-ND2 3.16Å; K70-N129 PolarHBondContact O-ND2 3.41Å; K70-N129 VanDerWaalsContact O-ND2 3.13Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.89Å; N129-Y131 PolarHBondContact O-N 3.12Å; N129-Y131 PolarHBondContact OD1-N 3.02Å; N129-Y131 VanDerWaalsContact OD1-N 3.08Å; N129-H132 HydrophobicContact CB-CB 4.22Å; N129-H132 PolarHBondContact ND2-CD2 3.29Å; N129-H132 PolarHBondContact ND2-NE2 3.24Å; N129-H132 WeakPolarHBondContact O-CB 3.36Å; N129-H132 PolarHBondContact O-N 2.65Å; N129-H132 VanDerWaalsContact O-N 3.08Å; N129-Y133 WeakPolarHBondContact O-CD2 3.24Å
130	P	96.9	Very high	87	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-71.3	-15.5	-173.1	32.1	-38	0	0	0	112.9	I61 A96 W99 R100 V128 H132	I61-P130 HydrophobicContact CD1-CG 3.53Å; A96-P130 HydrophobicContact CB-CB 4.29Å; W99-P130 HydrophobicContact CB-CG 4.09Å; W99-P130 HydrophobicContact CE3-CG 4.17Å; R100-P130 WeakPolarHBondContact CD-O 3.23Å; R100-P130 HydrophobicContact CG-CB 4.09Å; R100-P130 HydrophobicContact CG-CG 4.49Å; R100-P130 PolarHBondContact NH1-O 3.5Å; V128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-H132 VanDerWaalsContact C-N 3.34Å
131	Y	96.5	Very high	84.7	Confident	28 Å²	28	54.1 Å²	54.1	11%	0.11	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-87.6	-2.3	174.4	-57.6	-85.5	0	0	0	113.1	A60 I61 N64 R100 N129	A60-Y131 HydrophobicContact CB-CD2 3.96Å; A60-Y131 HydrophobicContact CB-CE2 4.47Å; A60-Y131 WeakPolarHBondContact O-CE2 3.41Å; I61-Y131 HydrophobicContact CD1-CE2 3.95Å; N64-Y131 VanDerWaalsContact C-CZ 3.41Å; N64-Y131 WeakPolarHBondContact CA-OH 3.27Å; N64-Y131 VanDerWaalsContact O-CE1 3.27Å; N64-Y131 WeakPolarHBondContact O-CE1 3.5Å; N64-Y131 PolarHBondContact OD1-OH 3.42Å; R100-Y131 HydrophobicContact CG-CE1 3.99Å; R100-Y131 HydrophobicContact CG-CE2 4.48Å; N129-Y131 PolarHBondContact O-N 3.12Å; N129-Y131 PolarHBondContact OD1-N 3.02Å; N129-Y131 VanDerWaalsContact OD1-N 3.08Å
132	H	97.1	Very high	82	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-88.5	7.5	169.8	-75.4	-149.4	0	0	0	112.8	S69 K70 C71 H111 V112 Y114 C115 C127 N129 P130	S69-H132 PolarHBondContact O-CE1 2.92Å; S69-H132 PolarHBondContact O-NE2 3.38Å; K70-H132 VanDerWaalsContact C-CE1 3.4Å; K70-H132 PolarHBondContact O-CE1 3.3Å; C71-H132 VanDerWaalsContact CA-CE1 3.48Å; C71-H132 WeakPolarHBondContact CA-CE1 3.46Å; C71-H132 PolarHBondContact N-CE1 2.83Å; C71-H132 VanDerWaalsContact N-CE1 3.3Å; C71-H132 PolarHBondContact SG-CE1 3.4Å; C71-H132 PolarHBondContact SG-ND1 3.08Å; H111-H132 WeakPolarHBondContact CA-O 3.49Å; V112-H132 HydrophobicContact CG2-CB 4.26Å; V112-H132 WeakPolarHBondContact CG2-O 3.3Å; V112-H132 PolarHBondContact N-O 3.05Å; Y114-H132 AromaticContact CE2-NE2 3.85Å; C115-H132 HydrophobicContact CB-CB 3.95Å; C127-H132 PolarHBondContact SG-ND1 3.39Å; N129-H132 HydrophobicContact CB-CB 4.22Å; N129-H132 PolarHBondContact ND2-CD2 3.29Å; N129-H132 PolarHBondContact ND2-NE2 3.24Å; N129-H132 WeakPolarHBondContact O-CB 3.36Å; N129-H132 PolarHBondContact O-N 2.65Å; N129-H132 VanDerWaalsContact O-N 3.08Å; P130-H132 VanDerWaalsContact C-N 3.34Å
133	Y	96.5	Very high	79.8	Confident	2 Å²	2	53 Å²	53	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.7	175.4	-60.1	-92.9	0	0	0	110.5	H92 R100 L109 K110 H111 F119 C127 N129	H92-Y133 HydrophobicContact CB-CD2 4.46Å; H92-Y133 HydrophobicContact CB-CE1 4.06Å; H92-Y133 HydrophobicContact CB-CE2 3.71Å; H92-Y133 VanDerWaalsContact CB-CZ 3.48Å; H92-Y133 WeakPolarHBondContact CB-OH 3.28Å; H92-Y133 AromaticContact CD2-CE1 3.78Å; R100-Y133 PolarHBondContact NH1-O 3.24Å; L109-Y133 HydrophobicContact CB-CD1 4.28Å; L109-Y133 HydrophobicContact CD1-CD1 4.37Å; L109-Y133 HydrophobicContact CD1-CG 4.28Å; K110-Y133 CarbonylContact O-C 3.49Å; K110-Y133 VanDerWaalsContact O-CA 3.27Å; K110-Y133 WeakPolarHBondContact O-CA 3.42Å; H111-Y133 HydrophobicContact CB-CD1 4.01Å; H111-Y133 HydrophobicContact CB-CE1 4Å; F119-Y133 PolarHBondContact N-OH 3.13Å; F119-Y133 VanDerWaalsContact N-OH 3.09Å; C127-Y133 WeakPolarHBondContact O-CE2 3.41Å; C127-Y133 PolarHBondContact O-OH 3.42Å; N129-Y133 WeakPolarHBondContact O-CD2 3.24Å
134	E	93.5	Very high	77.4	Confident	82 Å²	82	54.9 Å²	54.9	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.8	171.8	-70.3	167.4	-179.4	0	0	108.1	L109 K110 V112	L109-E134 WeakPolarHBondContact CA-O 3.3Å; K110-E134 PolarHBondContact N-O 3.46Å; K110-E134 PolarHBondContact O-N 3.3Å; V112-E134 HydrophobicContact CG1-CG 3.94Å
135	R	92.4	Very high	74.9	Confident	49 Å²	49	52 Å²	52	19%	0.185	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.7	172.3	-164.3	178.8	-170.7	178.4	3.2	108.8	W101 D103 L104 E108 D493	W101-R135 HydrophobicContact CD2-CB 4.18Å; W101-R135 HydrophobicContact CE3-CB 4.37Å; W101-R135 HydrophobicContact CH2-CB 3.88Å; W101-R135 VanDerWaalsContact CH2-N 3.33Å; W101-R135 HydrophobicContact CZ2-CB 3.67Å; W101-R135 HydrophobicContact CZ3-CB 4.25Å; D103-R135 IonicContact OD1-NH1 2.78Å; D103-R135 PolarHBondContact OD1-NH1 3.36Å; D103-R135 IonicContact OD1-NH2 2.82Å; D103-R135 IonicContact OD2-CZ 3.59Å; D103-R135 IonicContact OD2-NH1 2.98Å; D103-R135 PolarHBondContact OD2-NH1 3.28Å; D103-R135 IonicContact OD2-NH2 3.57Å; D103-R135 PolarHBondContact OD2-NH2 3.33Å; L104-R135 HydrophobicContact CD1-CG 4.05Å; E108-R135 HydrophobicContact CB-CG 4.21Å; E108-R135 CarbonylContact O-C 3.5Å; E108-R135 WeakPolarHBondContact O-CA 3.34Å; E108-R135 WeakPolarHBondContact O-CG 3.37Å; E108-R135 IonicContact OE1-NH2 3.5Å; E108-R135 IonicContact OE2-CZ 3.18Å; E108-R135 IonicContact OE2-NE 2.71Å; E108-R135 PolarHBondContact OE2-NE 2.71Å; E108-R135 VanDerWaalsContact OE2-NE 3.17Å; E108-R135 IonicContact OE2-NH2 3.39Å; E108-R135 PolarHBondContact OE2-NH2 2.93Å; R135-D493 WeakPolarHBondContact CD-OD2 3.02Å
136	V	87.5	Confident	72.3	Confident	51 Å²	51	57.2 Å²	57.2	31%	0.309	35%	0.352	S	S	.	.			trans	-123.4	138.7	175.7	-65.4	0	0	0	0	109.7	E108 K110 S138	E108-V136 VanDerWaalsContact CA-O 3.32Å; E108-V136 WeakPolarHBondContact CA-O 3.46Å; E108-V136 WeakPolarHBondContact CB-O 3.47Å; E108-V136 PolarHBondContact O-N 3.24Å; K110-V136 HydrophobicContact CB-CG1 3.73Å; K110-V136 HydrophobicContact CB-CG2 4.32Å; K110-V136 HydrophobicContact CD-CG1 4.36Å; V136-S138 PolarHBondContact O-N 2.96Å
137	V	72.3	Confident	69.5	Low	95 Å²	95	62.1 Å²	62.1	58%	0.576	38%	0.381	S	S	*	.			trans	-67.8	131.9	172.6	-176.9	0	0	0	0	108.2	I141	V137-I141 HydrophobicContact CG1-CD1 4.28Å
138	S	53.8	Low	66.6	Low	36 Å²	36	68.8 Å²	68.8	25%	0.252	42%	0.416	S	S	.	.			trans	-61.9	133.8	176.7	-71.5	0	0	0	0	110	V136 G140	V136-S138 PolarHBondContact O-N 2.96Å; S138-G140 PolarHBondContact O-N 2.81Å
139	P	41.7	Very low	63.7	Low	139 Å²	139	77.1 Å²	77.1	90%	0.903	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	17.5	-177.7	-21.3	32.2	0	0	0	116.6
140	G	41.9	Very low	60.8	Low	76 Å²	76	82.4 Å²	82.4	78%	0.784	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	3.1	179.9	0	0	0	0	0	114.7	S138	S138-G140 PolarHBondContact O-N 2.81Å
141	I	44.6	Very low	57.8	Low	116 Å²	116	90.4 Å²	90.4	60%	0.595	54%	0.535	S	S	*	.	S	Bend	trans	-102.4	120.2	167.4	-53.4	177.2	0	0	0	106.8	V137 L143	V137-I141 HydrophobicContact CG1-CD1 4.28Å; I141-L143 HydrophobicContact CB-CD1 4.02Å; I141-L143 HydrophobicContact CG2-CD1 3.82Å; I141-L143 PolarHBondContact O-N 3.08Å
142	D	37	Very low	54.8	Low	128 Å²	128	93.2 Å²	93.2	68%	0.684	56%	0.564	S	S	*	*			trans	-72	91.6	178.4	-174.8	14.6	0	0	0	111	S144	D142-S144 PolarHBondContact O-N 2.73Å; D142-S144 WeakPolarHBondContact OD1-CB 3.48Å; D142-S144 PolarHBondContact OD1-N 3.22Å; D142-S144 PolarHBondContact OD1-OG 3.49Å
143	L	46.4	Very low	51.7	Low	106 Å²	106	99.4 Å²	99.4	56%	0.555	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-78.1	2.4	171.8	-92.3	78.4	0	0	0	112.8	I141 G145 L146	I141-L143 HydrophobicContact CB-CD1 4.02Å; I141-L143 HydrophobicContact CG2-CD1 3.82Å; I141-L143 PolarHBondContact O-N 3.08Å; L143-G145 PolarHBondContact O-N 3.47Å; L143-G145 VanDerWaalsContact O-N 3.08Å; L143-L146 PolarHBondContact O-N 3.34Å
144	S	44.7	Very low	48.8	Very low	82 Å²	82	105 Å²	105	57%	0.573	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-65.1	-13.6	179.9	-41.2	0	0	0	0	113.1	D142 L146 T147	D142-S144 PolarHBondContact O-N 2.73Å; D142-S144 WeakPolarHBondContact OD1-CB 3.48Å; D142-S144 PolarHBondContact OD1-N 3.22Å; D142-S144 PolarHBondContact OD1-OG 3.49Å; S144-L146 VanDerWaalsContact C-N 3.28Å; S144-T147 WeakPolarHBondContact O-CG2 3.49Å
145	G	42	Very low	46.1	Very low	70 Å²	70	106 Å²	106	72%	0.722	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-74.7	-7.1	168.5	0	0	0	0	0	115.5	L143	L143-G145 PolarHBondContact O-N 3.47Å; L143-G145 VanDerWaalsContact O-N 3.08Å
146	L	42.6	Very low	43.3	Very low	138 Å²	138	111.7 Å²	111.7	72%	0.723	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-116.1	46.2	175.9	-68.6	172.8	0	0	0	110.9	L143 S144 L148	L143-L146 PolarHBondContact O-N 3.34Å; S144-L146 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 3.44Å
147	T	39.4	Very low	40.9	Very low	103 Å²	103	118.3 Å²	118.3	63%	0.632	72%	0.72	S	S	*	*			trans	-70.4	113.1	176	36.1	0	0	0	0	110.5	S144 Q149	S144-T147 WeakPolarHBondContact O-CG2 3.49Å; T147-Q149 VanDerWaalsContact C-N 3.35Å; T147-Q149 PolarHBondContact O-N 2.68Å
148	L	37.2	Very low	39.1	Very low	141 Å²	141	120.4 Å²	120.4	74%	0.738	73%	0.733	S	S	*	*			trans	-62.5	95.3	167.4	-76.5	83.7	0	0	0	109.1	L146 S150	L146-L148 PolarHBondContact O-N 3.44Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.14Å; L148-S150 VanDerWaalsContact O-N 3.14Å
149	Q	37.1	Very low	38.2	Very low	175 Å²	175	127.6 Å²	127.6	82%	0.818	76%	0.76	S	S	*	*			trans	-76.5	93.7	159	-72.6	-168.2	5	0	0	108.1	T147 N151	T147-Q149 VanDerWaalsContact C-N 3.35Å; T147-Q149 PolarHBondContact O-N 2.68Å; Q149-N151 PolarHBondContact O-N 2.67Å
150	S	36.5	Very low	37.9	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	75%	0.75	S	S	*	*			trans	-57.1	114.8	169.1	50.2	0	0	0	0	110.1	L148 A152	L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.14Å; L148-S150 VanDerWaalsContact O-N 3.14Å; S150-A152 PolarHBondContact O-N 2.94Å
151	N	33.1	Very low	37.7	Very low	168 Å²	168	131.8 Å²	131.8	90%	0.898	75%	0.751	S	S	*	*			trans	-56.9	129.4	176	-87.7	-14.7	0	0	0	112.1	Q149	Q149-N151 PolarHBondContact O-N 2.67Å
152	A	33	Very low	37.2	Very low	86 Å²	86	136.9 Å²	136.9	71%	0.711	76%	0.764	S	S	*	*			trans	-126.4	121.6	152.3	0	0	0	0	0	107.7	S150 S154	S150-A152 PolarHBondContact O-N 2.94Å; A152-S154 PolarHBondContact O-N 3.33Å
153	P	32.2	Very low	37	Very low	133 Å²	133	136.7 Å²	136.7	86%	0.864	77%	0.768	S	S	*	*			trans	-84.2	109.8	-172.3	31.7	-32.7	0	0	0	111.3
154	S	37	Very low	36.6	Very low	120 Å²	120	139.4 Å²	139.4	84%	0.839	78%	0.777	S	S	*	*			trans	-115.9	106.1	172.3	-71.7	0	0	0	0	111.1	A152	A152-S154 PolarHBondContact O-N 3.33Å
155	S	34.9	Very low	36.3	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	78%	0.778	S	S	*	*			trans	-18.7	132.8	170	-177.1	0	0	0	0	118.4
156	M	34.9	Very low	35.9	Very low	169 Å²	169	145.1 Å²	145.1	83%	0.833	78%	0.777	S	S	*	*			trans	20.9	120.3	141.9	-47.8	-175.7	-166.8	0	0	118.4
157	M	37.5	Very low	35.5	Very low	191 Å²	191	147.1 Å²	147.1	94%	0.941	78%	0.783	S	S	*	*				-171	144.8	92.8	-100.1	-169.3	152.6	0	0	112.6
158	V	33.7	Very low	35.3	Very low	139 Å²	139	146 Å²	146	84%	0.842	79%	0.793	S	S	*	*			trans	-92.9	134	172.5	171.1	0	0	0	0	108.4
159	K	33.9	Very low	35.3	Very low	186 Å²	186	148.4 Å²	148.4	81%	0.809	80%	0.8	S	S	*	*				176.2	146	116	-168.5	163.8	-178.7	-174.9	0	113.6
160	D	35.4	Very low	35.5	Very low	132 Å²	132	144.7 Å²	144.7	71%	0.706	79%	0.791	S	S	*	*			trans	-49.3	167.1	174.8	-76.2	-78.7	0	0	0	120.3
161	E	37.7	Very low	35.6	Very low	171 Å²	171	144.4 Å²	144.4	80%	0.799	79%	0.789	S	S	*	*			trans	91.6	103	141.9	-88.1	168.3	162	0	0	121.6
162	Y	34.7	Very low	35.7	Very low	224 Å²	224	144.1 Å²	144.1	88%	0.878	79%	0.786	S	S	*	*				75.3	142.1	123.7	-131.5	-94	0	0	0	121.3
163	V	32.9	Very low	35.7	Very low	124 Å²	124	144.1 Å²	144.1	75%	0.752	78%	0.781	S	S	*	*			trans	-101.1	126.7	-177.3	174.7	0	0	0	0	110
164	H	38	Very low	35.8	Very low	162 Å²	162	142.9 Å²	142.9	75%	0.75	77%	0.771	S	S	*	*				-176	133.1	124.5	-140.1	-7.2	0	0	0	113.3
165	D	37.7	Very low	35.9	Very low	112 Å²	112	145.5 Å²	145.5	60%	0.599	77%	0.77	S	S	*	*			trans	74.2	115.1	137.8	-87.8	18.3	0	0	0	125.9
166	F	34.4	Very low	35.8	Very low	160 Å²	160	143.6 Å²	143.6	70%	0.702	77%	0.767	S	S	*	*				99.5	127.2	121.2	-105.8	-115.2	0	0	0	122.9
167	E	34.7	Very low	36.1	Very low	180 Å²	180	144.9 Å²	144.9	84%	0.841	77%	0.77	S	S	*	*			trans	60	132.1	155.2	-77.9	174.6	148.2	0	0	122.1
168	G	35.8	Very low	35.8	Very low	81 Å²	81	140.5 Å²	140.5	84%	0.835	76%	0.758	S	S	*	*			trans	153.4	64	170.5	0	0	0	0	0	116.6
169	Q	36	Very low	36.3	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	76%	0.762	S	S	*	*			trans	-71.3	-179.9	-179.7	-142.2	-162	-17.7	0	0	113.2
170	P	41.3	Very low	36.5	Very low	97 Å²	97	142.2 Å²	142.2	63%	0.63	76%	0.764	S	S	*	*				-121.8	-177.4	-90.5	42.5	-28.6	0	0	0	114.4
171	S	37.8	Very low	36.3	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	76%	0.762	S	S	*	*			trans	-178	138.1	131.4	33.6	0	0	0	0	115.4
172	L	35.8	Very low	36.6	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	76%	0.761	S	S	*	*			trans	36.4	148.8	143.7	-79.6	74.5	0	0	0	122.8
173	S	33.4	Very low	36.5	Very low	87 Å²	87	137.6 Å²	137.6	61%	0.608	76%	0.757	S	S	*	*			cis	178.3	163.3	-21.8	50.8	0	0	0	0	111.2
174	T	35.1	Very low	36.9	Very low	106 Å²	106	139.8 Å²	139.8	65%	0.65	76%	0.759	S	S	*	*			trans	94.9	123.6	143.6	-49.8	0	0	0	0	119.9
175	E	38.1	Very low	37.3	Very low	175 Å²	175	137 Å²	137	82%	0.818	76%	0.755	S	S	*	*			trans	59	135.2	156.3	-70.9	158.2	-167.8	0	0	119.8
176	G	34.1	Very low	37.1	Very low	62 Å²	62	137.5 Å²	137.5	64%	0.639	76%	0.764	S	S	*	*			cis	123.2	124.8	0.1	0	0	0	0	0	112.1
177	H	39.9	Very low	37.4	Very low	195 Å²	195	135.4 Å²	135.4	90%	0.903	77%	0.77	S	S	*	*			trans	177.5	144.7	134	-96.9	83.9	0	0	0	110.8
178	S	32.3	Very low	37.3	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	77%	0.772	S	S	*	*			trans	-103.9	148.6	-167.4	54	0	0	0	0	113.9
179	I	43.2	Very low	37.2	Very low	177 Å²	177	142.1 Å²	142.1	91%	0.908	77%	0.774	S	S	*	*			trans	-132.9	152.2	147	-70.2	-167	0	0	0	109.2
180	Q	37.4	Very low	37	Very low	185 Å²	185	137.6 Å²	137.6	86%	0.864	77%	0.77	S	S	*	*			trans	-93.6	155.4	-147	-67.3	166.2	-22.2	0	0	116.3
181	T	32	Very low	36.8	Very low	108 Å²	108	138.2 Å²	138.2	66%	0.663	78%	0.776	S	S	*	*			trans	-82	144.5	177.4	-19.6	0	0	0	0	112.8	Q183	T181-Q183 HydrophobicContact CG2-CG 3.87Å
182	I	43.3	Very low	36.6	Very low	152 Å²	152	139.1 Å²	139.1	78%	0.779	78%	0.778	S	S	*	*			trans	-117.9	104	152.1	-61.9	-179.5	0	0	0	107.5
183	Q	33.2	Very low	36.5	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-103.6	125.2	173	-91.4	172.2	-27.8	0	0	109.5	T181	T181-Q183 HydrophobicContact CG2-CG 3.87Å
184	H	41.4	Very low	36.4	Very low	170 Å²	170	142.2 Å²	142.2	79%	0.787	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89	129.6	166.1	-74.6	-87.1	0	0	0	109.7
185	P	46.3	Very low	36.4	Very low	105 Å²	105	148 Å²	148	68%	0.682	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-81.6	147.1	-178.3	32.1	-34.8	0	0	0	112.3	S187	P185-S187 PolarHBondContact O-N 3.47Å
186	P	34.1	Very low	36.2	Very low	121 Å²	121	144 Å²	144	79%	0.786	79%	0.789	S	S	*	*			trans	-79.8	110.5	168.2	31.6	-30.9	0	0	0	110.1	N188	P186-N188 VanDerWaalsContact C-N 3.35Å; P186-N188 PolarHBondContact O-N 2.93Å
187	S	39.3	Very low	36.1	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	80%	0.798	S	S	*	*			trans	-75.4	84.8	174.4	-69.9	0	0	0	0	111.6	P185 R189	P185-S187 PolarHBondContact O-N 3.47Å; S187-R189 PolarHBondContact O-N 3.34Å
188	N	33.2	Very low	36.2	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	80%	0.795	S	S	*	*			trans	-58.8	123.2	157.6	-100.5	-19.8	0	0	0	109.2	P186	P186-N188 VanDerWaalsContact C-N 3.35Å; P186-N188 PolarHBondContact O-N 2.93Å
189	R	34.9	Very low	36.3	Very low	236 Å²	236	143.6 Å²	143.6	89%	0.891	80%	0.795	S	S	*	*			trans	-134.3	83	163.7	-155.8	172.9	-169.1	170.8	2.7	110.1	S187	S187-R189 PolarHBondContact O-N 3.34Å
190	A	30.8	Very low	35.9	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	79%	0.794	S	S	*	*			trans	-67.5	129.3	161.4	0	0	0	0	0	108.7
191	S	37.9	Very low	36	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	80%	0.797	S	S	*	*			trans	-124.2	88.9	165.9	53.8	0	0	0	0	108.1	E193	S191-E193 PolarHBondContact O-N 3.09Å
192	T	32.4	Very low	36.3	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	80%	0.798	S	S	*	*			trans	-63.5	118.9	163	42.3	0	0	0	0	109.4
193	E	35	Very low	36.1	Very low	196 Å²	196	140.2 Å²	140.2	92%	0.916	80%	0.799	S	S	*	*			trans	-116	125.3	151.1	-76.7	-151.3	145.1	0	0	109.7	S191	S191-E193 PolarHBondContact O-N 3.09Å
194	T	30.2	Very low	36.3	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	79%	0.791	S	S	*	*			trans	-112.4	114.5	-177.1	-55.8	0	0	0	0	107.1
195	Y	35.6	Very low	36.1	Very low	228 Å²	228	137.1 Å²	137.1	89%	0.894	80%	0.795	S	S	*	*			trans	-147.2	93.4	163.1	-114.4	-81.1	0	0	0	113.7
196	S	34.3	Very low	35.9	Very low	90 Å²	90	136.9 Å²	136.9	63%	0.629	80%	0.795	S	S	*	*				53.5	101.8	129.1	-47.2	0	0	0	0	120.4
197	T	32.4	Very low	36.1	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	80%	0.798	S	S	*	*			trans	-61.4	150.7	145.4	48.9	0	0	0	0	112.1
198	P	41.6	Very low	36.1	Very low	130 Å²	130	136.4 Å²	136.4	84%	0.844	79%	0.787	S	S	*	*			trans	-112.7	137	139.5	3.3	16.9	0	0	0	110.5
199	A	34.2	Very low	36.3	Very low	84 Å²	84	134.9 Å²	134.9	69%	0.694	78%	0.783	S	S	*	*			trans	-102.8	166.9	174.5	0	0	0	0	0	111.3
200	L	35.5	Very low	36.5	Very low	167 Å²	167	128.1 Å²	128.1	87%	0.874	77%	0.772	S	S	*	*			trans	70.7	124.5	164.3	-54.5	170	0	0	0	117.2
201	L	38.8	Very low	36.9	Very low	177 Å²	177	130.1 Å²	130.1	93%	0.927	78%	0.775	S	S	*	*				-168.6	115.1	119.6	-97.9	173.6	0	0	0	110.7
202	A	37.7	Very low	36.9	Very low	84 Å²	84	128.8 Å²	128.8	69%	0.694	77%	0.771	S	S	*	*			trans	-112.7	172.9	150.3	0	0	0	0	0	106
203	P	40.2	Very low	37.2	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	78%	0.777	S	S	*	*			cis	-122.8	-141.5	19	35.7	-11.7	0	0	0	110.7
204	S	37.4	Very low	37.3	Very low	89 Å²	89	131 Å²	131	62%	0.622	78%	0.775	S	S	*	*			cis	-163.6	144.5	4.9	34.9	0	0	0	0	111.8
205	E	37.2	Very low	37.9	Very low	185 Å²	185	130.4 Å²	130.4	86%	0.864	77%	0.773	S	S	*	*			trans	48.7	142.7	137.9	-52.6	-170.2	123.5	0	0	120.9
206	S	40.5	Very low	38.1	Very low	99 Å²	99	127 Å²	127	69%	0.692	77%	0.77	S	S	*	*				-176.5	152.6	55.7	39.1	0	0	0	0	114.3
207	N	38.7	Very low	38.6	Very low	159 Å²	159	129.6 Å²	129.6	85%	0.85	78%	0.776	S	S	*	*			trans	62.3	145.9	146.2	-71.1	-15.2	0	0	0	122.5
208	A	39	Very low	39.2	Very low	69 Å²	69	129.3 Å²	129.3	57%	0.57	78%	0.776	S	S	*	*			cis	-170.2	172.7	-13.5	0	0	0	0	0	112.1
209	T	38.8	Very low	39	Very low	133 Å²	133	128.9 Å²	128.9	82%	0.816	77%	0.771	S	S	*	*			trans	65.5	142.3	155.9	51.9	0	0	0	0	119.7
210	S	39.3	Very low	39.2	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	78%	0.776	S	S	*	*			cis	-167.1	157.6	-8.5	-89.3	0	0	0	0	113
211	T	39	Very low	39.3	Very low	138 Å²	138	126 Å²	126	85%	0.847	77%	0.765	S	S	*	*			trans	62	116.4	146.9	45.9	0	0	0	0	124
212	A	36.9	Very low	39.3	Very low	83 Å²	83	124.1 Å²	124.1	69%	0.686	76%	0.761	S	S	*	*			trans	-28	149.9	152.3	0	0	0	0	0	120.5
213	N	38.2	Very low	39.5	Very low	165 Å²	165	125.4 Å²	125.4	88%	0.882	77%	0.766	S	S	*	*				-174.8	138.1	112.8	-93.3	-17	0	0	0	114
214	F	38.2	Very low	39.2	Very low	201 Å²	201	128 Å²	128	88%	0.882	77%	0.767	S	S	*	*			trans	-78.2	163.1	157.6	-87.2	-76.6	0	0	0	109
215	P	43.1	Very low	39.5	Very low	105 Å²	105	129.3 Å²	129.3	68%	0.682	77%	0.773	S	S	*	*				-161.9	-173.1	58.9	45.1	-22	0	0	0	120.2
216	N	39	Very low	39.7	Very low	156 Å²	156	125.4 Å²	125.4	83%	0.834	77%	0.772	S	S	*	*			trans	91.6	131.9	147.1	-73.4	-10.5	0	0	0	123.3
217	I	45.2	Very low	39.4	Very low	145 Å²	145	126 Å²	126	74%	0.744	78%	0.776	S	S	*	*			trans	-93.3	171.3	168.9	-38.1	175.6	0	0	0	108.1	V219	I217-V219 HydrophobicContact CG2-CG2 4.36Å
218	P	45.4	Very low	39.5	Very low	130 Å²	130	125.9 Å²	125.9	84%	0.844	78%	0.775	S	S	*	*				-138.7	162.8	115	37.2	-26	0	0	0	116
219	V	36.1	Very low	39.3	Very low	121 Å²	121	130.7 Å²	130.7	73%	0.733	79%	0.79	S	S	*	*			trans	-108.8	146.9	-176.3	169.2	0	0	0	0	111	I217	I217-V219 HydrophobicContact CG2-CG2 4.36Å
220	A	40	Very low	39	Very low	96 Å²	96	128.2 Å²	128.2	79%	0.793	79%	0.79	S	S	*	*			trans	-152.3	125.6	148.8	0	0	0	0	0	107.6
221	S	36	Very low	38.8	Very low	93 Å²	93	127.5 Å²	127.5	65%	0.65	80%	0.798	S	S	*	*			cis	97.2	133.8	30.2	-64.7	0	0	0	0	114
222	T	40.1	Very low	38.6	Very low	138 Å²	138	126.5 Å²	126.5	85%	0.847	80%	0.797	S	S	*	*			trans	80.1	132.5	163.3	-37.6	0	0	0	0	114.7
223	S	41.9	Very low	38.8	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	81%	0.807	S	S	*	*			cis	-160.6	164.9	-2.6	41.2	0	0	0	0	112.5
224	Q	33.5	Very low	38.7	Very low	178 Å²	178	128.4 Å²	128.4	83%	0.832	80%	0.796	S	S	*	*			trans	-77.6	-161	169.8	-61.2	179.7	-18.1	0	0	112.6
225	P	44.1	Very low	38.5	Very low	116 Å²	116	128.3 Å²	128.3	75%	0.753	80%	0.799	S	S	*	*				-127.8	172.2	-68.8	35.7	-20.2	0	0	0	112.9
226	A	40.2	Very low	38.2	Very low	102 Å²	102	127.2 Å²	127.2	84%	0.843	81%	0.806	S	S	*	*			trans	-160.6	126.4	153.7	0	0	0	0	0	113.5
227	S	33.9	Very low	38.1	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	80%	0.801	S	S	*	*			trans	-87.2	151.8	157.7	-52.5	0	0	0	0	109.4
228	I	41	Very low	37.9	Very low	158 Å²	158	127.8 Å²	127.8	81%	0.81	81%	0.809	S	S	*	*			trans	167.2	108.3	151.1	-89.1	149.9	0	0	0	106
229	L	34.6	Very low	37.2	Very low	169 Å²	169	129.1 Å²	129.1	89%	0.885	80%	0.804	S	S	*	*				73.9	114.5	83.3	-106.4	154	0	0	0	115.2
230	G	33.8	Very low	37.3	Very low	81 Å²	81	131.6 Å²	131.6	84%	0.835	81%	0.811	S	S	*	*			trans	100.3	142.7	146.3	0	0	0	0	0	118.1
231	G	35.1	Very low	37.1	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	80%	0.804	S	S	*	*			trans	130.5	81.2	160	0	0	0	0	0	116.1
232	S	33.3	Very low	37	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	82%	0.816	S	S	*	*			trans	-66.2	146.2	162.1	-54.7	0	0	0	0	111
233	H	41.4	Very low	36.9	Very low	194 Å²	194	129.5 Å²	129.5	90%	0.898	81%	0.813	S	S	*	*			trans	-143.1	153.3	148.2	-97.9	-71.5	0	0	0	111.9
234	S	37	Very low	36.8	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	82%	0.818	S	S	*	*			trans	-99.5	156	-157.5	48.3	0	0	0	0	114.8
235	E	34	Very low	36.8	Very low	199 Å²	199	130.7 Å²	130.7	93%	0.93	82%	0.818	S	S	*	*			trans	39.8	127.6	143.5	-60.1	-167	120.7	0	0	121.4
236	G	37.3	Very low	36.8	Very low	81 Å²	81	130.9 Å²	130.9	84%	0.835	82%	0.819	S	S	*	*			trans	-155.7	80.9	169.6	0	0	0	0	0	111.5
237	L	36.4	Very low	36.6	Very low	141 Å²	141	129 Å²	129	74%	0.738	81%	0.811	S	S	*	*			trans	-69.9	132.1	-177.8	177.5	84.4	0	0	0	113.1	Q239	L237-Q239 HydrophobicContact CD1-CG 4.29Å
238	L	40.6	Very low	36.7	Very low	173 Å²	173	132.6 Å²	132.6	91%	0.906	82%	0.815	S	S	*	*			trans	-145.9	134.7	147.9	-78.4	-174.6	0	0	0	111.4
239	Q	30.7	Very low	36.6	Very low	158 Å²	158	133.2 Å²	133.2	74%	0.738	81%	0.814	S	S	*	*			trans	-108.7	-160.4	178	-67.4	-179.3	-16.7	0	0	111	L237	L237-Q239 HydrophobicContact CD1-CG 4.29Å
240	I	38.8	Very low	36.6	Very low	172 Å²	172	133.3 Å²	133.3	88%	0.882	81%	0.81	S	S	*	*			trans	94.1	128.1	175.2	-53	158.2	0	0	0	112.1
241	A	36.2	Very low	36.7	Very low	78 Å²	78	137.2 Å²	137.2	65%	0.645	81%	0.812	S	S	*	*			cis	-153.7	138.9	-8.6	0	0	0	0	0	107.9
242	S	33.6	Very low	36.6	Very low	130 Å²	130	136.3 Å²	136.3	91%	0.909	80%	0.803	S	S	*	*				57.3	109.1	85.9	-50	0	0	0	0	115.8
243	G	37.1	Very low	36.7	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	81%	0.81	S	S	*	*			trans	-152.7	130.3	169.4	0	0	0	0	0	111.5
244	P	41.2	Very low	36.4	Very low	135 Å²	135	138.8 Å²	138.8	88%	0.877	81%	0.809	S	S	*	*			trans	-100.2	164.8	-167.4	37.5	-36	0	0	0	117.1
245	Q	33.2	Very low	36.3	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	81%	0.814	S	S	*	*			trans	-64.3	-172.5	166.9	-96.6	-166.7	9.2	0	0	114.8
246	P	43	Very low	36.4	Very low	119 Å²	119	137.2 Å²	137.2	77%	0.773	81%	0.811	S	S	*	*			cis	-140.7	-172.7	-35	37.7	-18.9	0	0	0	114.5
247	G	37	Very low	36.2	Very low	64 Å²	64	139.4 Å²	139.4	66%	0.66	81%	0.811	S	S	*	*			trans	176.3	111.6	158.6	0	0	0	0	0	112.1
248	Q	36.4	Very low	36.3	Very low	186 Å²	186	136.7 Å²	136.7	87%	0.869	81%	0.808	S	S	*	*				53.4	130.8	95.2	-61.5	-170.5	-1.3	0	0	113.7
249	Q	37.4	Very low	35.8	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.794	80%	0.801	S	S	*	*			cis	-152.1	141.6	38.3	-69.7	172.8	-15.8	0	0	109.5
250	Q	35.9	Very low	35.9	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	81%	0.807	S	S	*	*				87.4	113.5	68.8	-161.6	179.9	27.7	0	0	115.6
251	N	35.3	Very low	35.6	Very low	162 Å²	162	137.5 Å²	137.5	87%	0.866	80%	0.804	S	S	*	*			trans	152.3	126.4	151.1	-82	-14.4	0	0	0	109.3
252	G	32.2	Very low	35.5	Very low	62 Å²	62	142 Å²	142	64%	0.639	81%	0.811	S	S	*	*			cis	124.7	82.2	-5.7	0	0	0	0	0	113.5
253	F	36	Very low	35.3	Very low	218 Å²	218	141.7 Å²	141.7	96%	0.956	80%	0.799	S	S	*	*			trans	-153.3	142.7	156.9	-95.3	-68.3	0	0	0	111.6
254	T	34.5	Very low	35.2	Very low	144 Å²	144	143 Å²	143	88%	0.883	80%	0.796	S	S	*	*			trans	-113	140.7	-171.6	49	0	0	0	0	111.8
255	G	36.6	Very low	34.7	Very low	74 Å²	74	141.5 Å²	141.5	76%	0.763	79%	0.785	S	S	*	*			trans	-159.4	100.7	174.8	0	0	0	0	0	113.7
256	Q	34.5	Very low	34.8	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	78%	0.784	S	S	*	*			trans	18.9	128.3	159.8	-64.3	179.9	-26.6	0	0	121
257	P	34.3	Very low	34.1	Very low	127 Å²	127	138.6 Å²	138.6	83%	0.825	78%	0.778	S	S	*	*			trans	-83.5	118.6	158.6	33.1	-28.3	0	0	0	110.9
258	A	37.2	Very low	33.8	Very low	83 Å²	83	146.8 Å²	146.8	69%	0.686	79%	0.789	S	S	*	*			trans	-90.5	107	167.3	0	0	0	0	0	109.9	Y260	A258-Y260 HydrophobicContact CB-CD2 4.5Å; A258-Y260 HydrophobicContact CB-CE2 4.46Å; A258-Y260 PolarHBondContact O-N 3.35Å
259	T	31.3	Very low	33.5	Very low	122 Å²	122	144.1 Å²	144.1	75%	0.748	79%	0.785	S	S	*	*			trans	-75.4	110.3	173.7	49.3	0	0	0	0	110.7
260	Y	33	Very low	33.4	Very low	221 Å²	221	139.7 Å²	139.7	87%	0.867	79%	0.786	S	S	*	*			trans	-107.7	104.9	164.8	-85.7	-83.7	0	0	0	110.4	A258	A258-Y260 HydrophobicContact CB-CD2 4.5Å; A258-Y260 HydrophobicContact CB-CE2 4.46Å; A258-Y260 PolarHBondContact O-N 3.35Å
261	H	31	Very low	33.3	Very low	178 Å²	178	136.9 Å²	136.9	82%	0.824	79%	0.785	S	S	*	*			trans	-72.8	125.4	163.6	-74.6	-88.8	0	0	0	109.2
262	H	34.9	Very low	33.3	Very low	171 Å²	171	139.6 Å²	139.6	79%	0.792	78%	0.783	S	S	*	*			trans	-113.5	110.4	147.5	-160.8	-29.4	0	0	0	108.2
263	N	30.4	Very low	33.4	Very low	124 Å²	124	143.3 Å²	143.3	66%	0.663	79%	0.793	S	S	*	*			trans	-92.1	133.6	176.5	-169.8	11.4	0	0	0	108.8	T265	N263-T265 PolarHBondContact OD1-OG1 3.04Å
264	S	33.5	Very low	33.3	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	78%	0.784	S	S	*	*			trans	-148.8	57.7	173.3	-69.8	0	0	0	0	109.7
265	T	31.5	Very low	33.4	Very low	104 Å²	104	135.9 Å²	135.9	64%	0.638	78%	0.778	S	S	*	*			trans	-96.5	107.8	173.4	-54.7	0	0	0	0	110.5	N263 T267	N263-T265 PolarHBondContact OD1-OG1 3.04Å; T265-T267 PolarHBondContact O-N 3.02Å
266	T	34.3	Very low	33.3	Very low	132 Å²	132	143.4 Å²	143.4	81%	0.81	79%	0.785	S	S	*	*			trans	-76.7	98.1	168.5	-49.2	0	0	0	0	109.1
267	T	29.8	Very low	33.2	Very low	106 Å²	106	141 Å²	141	65%	0.65	78%	0.783	S	S	*	*			trans	-88.7	115.5	-178.8	-50.9	0	0	0	0	110.8	T265 T269	T265-T267 PolarHBondContact O-N 3.02Å; T267-T269 HydrophobicContact CG2-CG2 4.49Å
268	W	29.7	Very low	33.2	Very low	237 Å²	237	140.5 Å²	140.5	90%	0.898	78%	0.779	S	S	*	*			trans	-95.4	125	162.9	-97.7	79.6	0	0	0	110.2
269	T	31.4	Very low	32.9	Very low	129 Å²	129	144.5 Å²	144.5	79%	0.791	79%	0.789	S	S	*	*			trans	-91	118.3	178.6	51.7	0	0	0	0	110.6	T267	T267-T269 HydrophobicContact CG2-CG2 4.49Å
270	G	34.1	Very low	33.1	Very low	78 Å²	78	145 Å²	145	80%	0.804	79%	0.787	S	S	*	*			trans	-139	130.4	172.3	0	0	0	0	0	109
271	S	33.5	Very low	33.2	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	78%	0.779	S	S	*	*			trans	-108	154.2	-159.3	-163.9	0	0	0	0	113.8
272	R	35.8	Very low	33.3	Very low	220 Å²	220	140 Å²	140	83%	0.83	78%	0.781	S	S	*	*			trans	93.1	116.7	158.6	-52.7	-177.3	-177.5	-164.2	-0.8	119.2
273	T	35.1	Very low	34	Very low	139 Å²	139	137.5 Å²	137.5	85%	0.853	77%	0.769	S	S	*	*			trans	50.2	132.2	133.9	60.9	0	0	0	0	119.6
274	A	33.7	Very low	34.9	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	77%	0.771	S	S	*	*			cis	-153.9	168	21.6	0	0	0	0	0	111.7
275	P	36.6	Very low	35.9	Very low	114 Å²	114	140.8 Å²	140.8	74%	0.74	77%	0.774	S	S	*	*			trans	-100.5	113.7	-170.2	35.4	-29	0	0	0	114.2
276	Y	34.4	Very low	37.6	Very low	232 Å²	232	137 Å²	137	91%	0.91	76%	0.756	S	S	*	*			trans	-154.5	86	154.8	-83.7	-69.9	0	0	0	110.1
277	T	32.5	Very low	39.9	Very low	136 Å²	136	132.5 Å²	132.5	83%	0.834	73%	0.725	S	S	*	*			trans	-99.5	118.4	167.2	35.7	0	0	0	0	109.7
278	P	34.6	Very low	42.9	Very low	116 Å²	116	128.5 Å²	128.5	75%	0.753	70%	0.7	S	S	*	*			trans	-63.6	143.7	165.2	-13.7	28.2	0	0	0	109.1	L280	P278-L280 PolarHBondContact O-N 2.99Å
279	N	29.5	Very low	45.9	Very low	167 Å²	167	117.7 Å²	117.7	89%	0.893	66%	0.659	S	S	*	*			trans	-60	99.8	173.6	-80.8	-17	0	0	0	110.3
280	L	36	Very low	48.9	Very low	134 Å²	134	115.8 Å²	115.8	70%	0.702	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-68.7	129.5	165.2	-146.8	73.3	0	0	0	107.3	P278 H282	P278-L280 PolarHBondContact O-N 2.99Å; L280-H282 PolarHBondContact O-N 3.18Å
281	P	35	Very low	51.8	Low	109 Å²	109	113.5 Å²	113.5	71%	0.708	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-60.3	131.5	179.2	24.5	-33.3	0	0	0	109.5	H283	P281-H283 PolarHBondContact O-N 3.03Å; P281-H283 VanDerWaalsContact O-N 3.15Å
282	H	33.8	Very low	54.7	Low	185 Å²	185	111.6 Å²	111.6	86%	0.856	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-47.2	120	178.6	-145.4	76.9	0	0	0	109.6	L280 Q284	L280-H282 PolarHBondContact O-N 3.18Å; H282-Q284 PolarHBondContact O-N 2.87Å
283	H	48.7	Very low	57.3	Low	117 Å²	117	104.2 Å²	104.2	54%	0.542	58%	0.575	S	S	.	*			trans	-55.6	112.8	174.7	-89.8	-101	0	0	0	108	P281 N285 Q289	P281-H283 PolarHBondContact O-N 3.03Å; P281-H283 VanDerWaalsContact O-N 3.15Å; H283-N285 PolarHBondContact O-N 3.46Å; H283-Q289 PolarHBondContact ND1-OE1 2.9Å
284	Q	49	Very low	59.7	Low	151 Å²	151	103.7 Å²	103.7	71%	0.706	56%	0.564	S	S	*	*			trans	-64	131.3	173.2	-72.8	-172.4	7.2	0	0	107.7	H282 G286 Q289	H282-Q284 PolarHBondContact O-N 2.87Å; Q284-G286 PolarHBondContact O-N 3.13Å; Q284-Q289 PolarHBondContact O-NE2 3.34Å; Q284-Q289 VanDerWaalsContact O-NE2 3.11Å
285	N	55.1	Low	61.8	Low	146 Å²	146	103.6 Å²	103.6	78%	0.781	56%	0.556	S	S	*	*			trans	-73	27.1	178.7	-160.7	16.4	0	0	0	112.7	H283 R420	H283-N285 PolarHBondContact O-N 3.46Å; N285-R420 PolarHBondContact O-NH1 2.75Å; N285-R420 PolarHBondContact OD1-NH1 2.75Å; N285-R420 VanDerWaalsContact OD1-NH1 3.16Å
286	G	66.1	Low	63.4	Low	25 Å²	25	104.1 Å²	104.1	26%	0.258	56%	0.56	S	S	.	*	S	Bend	trans	-83	156.3	178.8	0	0	0	0	0	112.4	Q284 L288 Q289 R420	Q284-G286 PolarHBondContact O-N 3.13Å; G286-L288 PolarHBondContact O-N 3.45Å; G286-Q289 PolarHBondContact O-NE2 3.36Å; G286-R420 PolarHBondContact O-NH1 3.06Å
287	H	83.1	Confident	63.9	Low	36 Å²	36	100.5 Å²	100.5	17%	0.167	55%	0.55	C	S	.	*	S	Bend	trans	-68.3	-23.3	175.8	-169	-57.4	0	0	0	111.4	D424 A425 V426 P511	H287-D424 PolarHBondContact CD2-O 2.55Å; H287-D424 VanDerWaalsContact CD2-O 3.31Å; H287-D424 IonicContact CD2-OD1 2.8Å; H287-A425 CarbonylContact O-C 3.56Å; H287-A425 VanDerWaalsContact O-CA 3.23Å; H287-A425 WeakPolarHBondContact O-CA 3.39Å; H287-A425 WeakPolarHBondContact O-CB 3.44Å; H287-V426 PolarHBondContact O-N 3.11Å; H287-P511 HydrophobicContact CB-CG 4.15Å; H287-P511 VanDerWaalsContact CD2-CD 3.44Å; H287-P511 WeakPolarHBondContact CD2-CD 3.26Å; H287-P511 VanDerWaalsContact CG-CD 3.49Å
288	L	92.7	Very high	64.5	Low	23 Å²	23	100.5 Å²	100.5	12%	0.12	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	117.9	169	-173.7	61.1	0	0	0	111.8	G286 H290 F408 K428 D512 Y513	G286-L288 PolarHBondContact O-N 3.45Å; L288-H290 WeakPolarHBondContact CD2-NE2 3.44Å; L288-F408 HydrophobicContact CD1-CD1 4.37Å; L288-F408 HydrophobicContact CD1-CE1 4.31Å; L288-K428 HydrophobicContact CD1-CB 3.89Å; L288-D512 PolarHBondContact N-OD2 2.84Å; L288-Y513 HydrophobicContact CD1-CE2 3.97Å; L288-Y513 HydrophobicContact CD2-CE2 4.09Å; L288-Y513 VanDerWaalsContact CD2-OH 3.25Å; L288-Y513 WeakPolarHBondContact CD2-OH 3.26Å
289	Q	92.4	Very high	64.5	Low	9 Å²	9	97.8 Å²	97.8	4%	0.042	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.5	175.3	-66.8	-62.9	-48.4	0	0	110.5	H283 Q284 G286 H291 A418 R420 A425 V426 K428	H283-Q289 PolarHBondContact ND1-OE1 2.9Å; Q284-Q289 PolarHBondContact O-NE2 3.34Å; Q284-Q289 VanDerWaalsContact O-NE2 3.11Å; G286-Q289 PolarHBondContact O-NE2 3.36Å; Q289-H291 PolarHBondContact O-CD2 3.37Å; Q289-A418 HydrophobicContact CG-CB 4.1Å; Q289-R420 HydrophobicContact CG-CG 4.48Å; Q289-A425 HydrophobicContact CG-CB 4.05Å; Q289-V426 PolarHBondContact N-O 2.83Å; Q289-K428 PolarHBondContact O-N 2.94Å
290	H	96.2	Very high	64.7	Low	89 Å²	89	96.9 Å²	96.9	41%	0.412	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.6	-170.1	-71.3	-106.5	0	0	0	112.6	L288 P292 Y430	L288-H290 WeakPolarHBondContact CD2-NE2 3.44Å; H290-P292 WeakPolarHBondContact O-CD 3.17Å; H290-Y430 HydrophobicContact CB-CE2 4.24Å; H290-Y430 PolarHBondContact CE1-OH 3.41Å; H290-Y430 AromaticContact ND1-CE2 3.61Å; H290-Y430 AromaticContact ND1-CZ 3.69Å; H290-Y430 PolarHBondContact ND1-OH 3.23Å
291	H	94.9	Very high	64.4	Low	30 Å²	30	101.5 Å²	101.5	14%	0.139	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	82.3	-177	-58.5	-84.9	0	0	0	110	Q289 H427 K428 I429 Y430 I435	Q289-H291 PolarHBondContact O-CD2 3.37Å; H291-H427 AromaticContact CE1-ND1 3.79Å; H291-H427 AromaticContact NE2-CG 3.81Å; H291-H427 AromaticContact NE2-ND1 3.09Å; H291-H427 PolarHBondContact NE2-ND1 2.84Å; H291-K428 PolarHBondContact N-O 2.96Å; H291-I429 HydrophobicContact CB-CG1 4.36Å; H291-Y430 PolarHBondContact O-N 3.12Å; H291-I435 HydrophobicContact CB-CD1 4.03Å; H291-I435 WeakPolarHBondContact ND1-CD1 3.29Å
292	P	93.1	Very high	64.2	Low	73 Å²	73	105.1 Å²	105.1	47%	0.474	55%	0.545	S	S	.	.			trans	-70.3	160.6	176.6	31.3	-35.6	0	0	0	111.8	H290 M294	H290-P292 WeakPolarHBondContact O-CD 3.17Å; P292-M294 PolarHBondContact O-N 3.49Å; P292-M294 VanDerWaalsContact O-N 3.12Å
293	P	91.2	Very high	64	Low	64 Å²	64	101 Å²	101	42%	0.416	54%	0.535	S	S	.	.			trans	-64.1	113.6	171.6	26.9	-34.3	0	0	0	110.5	A433	P293-A433 HydrophobicContact CB-CB 4.23Å
294	M	84.5	Confident	63.6	Low	128 Å²	128	100.2 Å²	100.2	63%	0.631	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-89.2	122.3	169.6	-68.2	-68.5	-74.9	0	0	108.6	P292	P292-M294 PolarHBondContact O-N 3.49Å; P292-M294 VanDerWaalsContact O-N 3.12Å
295	P	77.9	Confident	63.2	Low	92 Å²	92	101.6 Å²	101.6	60%	0.597	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-64.8	143.8	175.1	27.5	-33.5	0	0	0	109.8	H297	P295-H297 PolarHBondContact O-N 3.41Å; P295-H297 VanDerWaalsContact O-N 3.08Å
296	P	70	Confident	62.4	Low	125 Å²	125	99.6 Å²	99.6	81%	0.812	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-58.7	117.7	172.2	-19	30.7	0	0	0	109	P298	P296-P298 WeakPolarHBondContact O-CD 3.17Å; P296-P298 VanDerWaalsContact O-N 3.12Å
297	H	46.6	Very low	61.6	Low	155 Å²	155	105.5 Å²	105.5	72%	0.718	55%	0.554	S	S	*	*			trans	-61.5	114	-178	-74.4	-67.8	0	0	0	110.7	P295 G299	P295-H297 PolarHBondContact O-N 3.41Å; P295-H297 VanDerWaalsContact O-N 3.08Å; H297-G299 VanDerWaalsContact C-N 3.28Å; H297-G299 PolarHBondContact O-N 3.44Å
298	P	43.4	Very low	60.1	Low	137 Å²	137	109.5 Å²	109.5	89%	0.89	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	77.1	176.5	34.1	-29.9	0	0	0	108.3	P296	P296-P298 WeakPolarHBondContact O-CD 3.17Å; P296-P298 VanDerWaalsContact O-N 3.12Å
299	G	35.9	Very low	58.1	Low	58 Å²	58	112 Å²	112	60%	0.598	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.7	-28.6	-171.8	0	0	0	0	0	117.8	H297	H297-G299 VanDerWaalsContact C-N 3.28Å; H297-G299 PolarHBondContact O-N 3.44Å
300	H	34.2	Very low	56.6	Low	149 Å²	149	119.5 Å²	119.5	69%	0.69	63%	0.633	S	S	*	*			trans	-133.4	99.7	179.3	-69.6	-59.6	0	0	0	112.5	W302	H300-W302 HydrophobicContact CB-CG 4.34Å; H300-W302 AromaticContact CG-NE1 3.79Å; H300-W302 PolarHBondContact O-N 2.81Å
301	Y	29.6	Very low	55.3	Low	231 Å²	231	120.5 Å²	120.5	91%	0.906	64%	0.638	S	S	*	*			trans	-75.2	62.9	165.1	-155.7	-88.7	0	0	0	109.5
302	W	29.7	Very low	54.8	Low	185 Å²	185	123.5 Å²	123.5	70%	0.701	66%	0.661	S	S	*	*			trans	-69.7	135	162.5	-64.6	124.2	0	0	0	107.7	H300 V304	H300-W302 HydrophobicContact CB-CG 4.34Å; H300-W302 AromaticContact CG-NE1 3.79Å; H300-W302 PolarHBondContact O-N 2.81Å; W302-V304 HydrophobicContact CB-CG2 3.86Å; W302-V304 PolarHBondContact O-N 2.94Å
303	P	29.5	Very low	54.5	Low	98 Å²	98	123.6 Å²	123.6	64%	0.636	66%	0.661	S	S	*	*			trans	-76.6	57.1	-177.4	32.4	-36.2	0	0	0	112	H305	P303-H305 PolarHBondContact O-N 3.32Å
304	V	40.6	Very low	54.4	Low	100 Å²	100	122.2 Å²	122.2	61%	0.606	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	56.1	176	-163.9	0	0	0	0	109.9	W302	W302-V304 HydrophobicContact CB-CG2 3.86Å; W302-V304 PolarHBondContact O-N 2.94Å
305	H	41.3	Very low	54.7	Low	181 Å²	181	116.7 Å²	116.7	84%	0.838	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.6	0.2	170.4	-102.9	64.8	0	0	0	113.2	P303	P303-H305 PolarHBondContact O-N 3.32Å
306	N	38	Very low	55.3	Low	103 Å²	103	119.9 Å²	119.9	55%	0.551	64%	0.636	S	S	*	*	S	Bend	trans	-121.5	-8.4	178.8	-148.7	44.3	0	0	0	115.4	A309 F310	N306-A309 PolarHBondContact O-N 3.26Å; N306-F310 WeakPolarHBondContact O-CD2 3.41Å
307	E	48.1	Very low	56.3	Low	149 Å²	149	118.9 Å²	118.9	70%	0.696	62%	0.62	S	S	*	*	S	Bend	trans	-74	-27.8	177.9	-66.2	-167.8	135.3	0	0	113.3	A309 F310	E307-A309 PolarHBondContact O-N 2.81Å; E307-F310 PolarHBondContact O-N 3.18Å
308	L	53.2	Low	58.5	Low	120 Å²	120	116.2 Å²	116.2	63%	0.628	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-64.1	-26	173.9	-89.6	131.6	0	0	0	113	F310 Q311	L308-F310 PolarHBondContact O-N 3.39Å; L308-Q311 PolarHBondContact O-N 3.14Å
309	A	50.1	Low	60.9	Low	77 Å²	77	113.4 Å²	113.4	64%	0.636	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-69	-17.8	177.1	0	0	0	0	0	113.4	N306 E307	N306-A309 PolarHBondContact O-N 3.26Å; E307-A309 PolarHBondContact O-N 2.81Å
310	F	60.7	Low	63.8	Low	166 Å²	166	111.6 Å²	111.6	73%	0.728	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-100.9	-6.6	-179.7	-67.3	-77	0	0	0	114	N306 E307 L308	N306-F310 WeakPolarHBondContact O-CD2 3.41Å; E307-F310 PolarHBondContact O-N 3.18Å; L308-F310 PolarHBondContact O-N 3.39Å
311	Q	68.6	Low	66.8	Low	109 Å²	109	111.3 Å²	111.3	51%	0.509	58%	0.582	S	S	.	*	S	Bend	trans	-93.2	120.3	174.7	-68.8	-118.9	-22.6	0	0	109.7	L308 R441	L308-Q311 PolarHBondContact O-N 3.14Å; Q311-R441 VanDerWaalsContact OE1-CZ 3.32Å
312	P	83.9	Confident	70.1	Confident	94 Å²	94	103.2 Å²	103.2	61%	0.61	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-60.8	153	174.8	26.8	-34.3	0	0	0	110.6	R441	P312-R441 PolarHBondContact O-NH1 3.37Å; P312-R441 VanDerWaalsContact O-NH1 3.14Å; P312-R441 PolarHBondContact O-NH2 2.6Å
313	P	87.6	Confident	73.3	Confident	74 Å²	74	95.3 Å²	95.3	48%	0.481	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-56.9	152	172.2	27.8	-35.5	0	0	0	110.1	S315 E394	P313-S315 VanDerWaalsContact C-N 3.29Å; P313-S315 PolarHBondContact O-N 2.95Å; P313-E394 WeakPolarHBondContact CA-OE2 3.34Å
314	I	89.7	Confident	76.6	Confident	35 Å²	35	90.6 Å²	90.6	18%	0.179	49%	0.489	C	S	.	.	S	Bend	trans	-66.1	-37.5	-178	-60.2	167.7	0	0	0	110.7	E394 L440 R441 H444 L535	I314-E394 WeakPolarHBondContact CG1-OE2 3.36Å; I314-E394 PolarHBondContact N-OE1 2.84Å; I314-E394 PolarHBondContact N-OE2 3.11Å; I314-L440 HydrophobicContact CD1-CB 4Å; I314-L440 HydrophobicContact CD1-CD2 3.6Å; I314-L440 HydrophobicContact CD1-CG 3.55Å; I314-R441 HydrophobicContact CD1-CB 4.3Å; I314-R441 HydrophobicContact CD1-CG 3.59Å; I314-R441 HydrophobicContact CG1-CG 3.85Å; I314-H444 HydrophobicContact CG2-CB 4.07Å; I314-H444 WeakPolarHBondContact CG2-ND1 3.34Å; I314-L535 HydrophobicContact CB-CD1 4.26Å; I314-L535 HydrophobicContact CB-CD2 4.42Å; I314-L535 HydrophobicContact CD1-CD1 4.17Å; I314-L535 HydrophobicContact CG2-CD1 3.82Å; I314-L535 HydrophobicContact CG2-CD2 3.88Å
315	S	89.9	Confident	79.4	Confident	13 Å²	13	86.4 Å²	86.4	9%	0.091	47%	0.465	C	S	.	.			trans	-138.3	149.8	175	175.7	0	0	0	0	111.6	P313 H317 R531 L535 E538	P313-S315 VanDerWaalsContact C-N 3.29Å; P313-S315 PolarHBondContact O-N 2.95Å; S315-H317 VanDerWaalsContact C-N 3.25Å; S315-H317 PolarHBondContact O-N 2.87Å; S315-H317 PolarHBondContact OG-CD2 3.43Å; S315-H317 PolarHBondContact OG-N 3.49Å; S315-R531 PolarHBondContact O-NH2 3.23Å; S315-L535 VanDerWaalsContact CB-CD2 3.45Å; S315-E538 WeakPolarHBondContact CB-OE1 3.31Å; S315-E538 VanDerWaalsContact CB-OE2 3.27Å; S315-E538 WeakPolarHBondContact CB-OE2 3.43Å; S315-E538 PolarHBondContact OG-OE1 2.94Å; S315-E538 PolarHBondContact OG-OE2 2.87Å
316	N	90.8	Very high	82.1	Confident	159 Å²	159	77.8 Å²	77.8	85%	0.85	43%	0.425	S	S	*	.	S	Bend	trans	-79.2	-4.3	172.2	-66.1	-41.1	0	0	0	113
317	H	90.7	Very high	85	Confident	104 Å²	104	73.2 Å²	73.2	48%	0.481	40%	0.401	S	S	.	.	S	Bend	trans	-59.6	142.4	173.8	-88.3	-99.2	0	0	0	111.3	S315 R531 E538	S315-H317 VanDerWaalsContact C-N 3.25Å; S315-H317 PolarHBondContact O-N 2.87Å; S315-H317 PolarHBondContact OG-CD2 3.43Å; S315-H317 PolarHBondContact OG-N 3.49Å; H317-R531 PolarHBondContact O-NH1 3.21Å; H317-R531 PolarHBondContact O-NH2 3.25Å; H317-E538 IonicContact CD2-OE1 3.87Å; H317-E538 PolarHBondContact CD2-OE1 3.15Å; H317-E538 IonicContact CD2-OE2 3.25Å; H317-E538 IonicContact CG-OE1 3.75Å
318	P	93.6	Very high	87.4	Confident	98 Å²	98	66.1 Å²	66.1	64%	0.636	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.8	179.1	26.2	-34.8	0	0	0	111.5	R531 Q534	P318-R531 PolarHBondContact O-NH1 3.08Å; P318-Q534 PolarHBondContact O-NE2 2.99Å; P318-Q534 VanDerWaalsContact O-NE2 3.15Å
319	A	93.4	Very high	89.6	Confident	79 Å²	79	61.7 Å²	61.7	65%	0.653	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-57	143	173.1	0	0	0	0	0	110.3
320	P	96.6	Very high	91.9	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.123	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-69.4	155.5	-179.3	31.8	-35.6	0	0	0	110.7	Y322 S343 H530 R531	P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.42Å; P320-Y322 WeakPolarHBondContact CG-O 3.23Å; P320-Y322 PolarHBondContact O-N 3.19Å; P320-S343 WeakPolarHBondContact O-CB 3.45Å; P320-S343 PolarHBondContact O-OG 2.75Å; P320-H530 HydrophobicContact CB-CB 3.96Å; P320-H530 HydrophobicContact CG-CB 3.9Å; P320-R531 HydrophobicContact CG-CB 4.47Å
321	E	97.1	Very high	93.7	Very high	144 Å²	144	53.5 Å²	53.5	67%	0.673	30%	0.295	S	S	*	.	S	Bend	trans	-58.6	-41.2	176.2	-175.5	-171.8	173.5	0	0	112.2	S343	E321-S343 PolarHBondContact O-N 2.98Å; E321-S343 PolarHBondContact O-OG 2.77Å
322	Y	98.3	Very high	95	Very high	61 Å²	61	54.1 Å²	54.1	24%	0.239	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.9	174.2	-52.4	-83	0	0	0	108.6	P320 K340 V341 P342 H530	P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.42Å; P320-Y322 WeakPolarHBondContact CG-O 3.23Å; P320-Y322 PolarHBondContact O-N 3.19Å; Y322-K340 HydrophobicContact CD1-CB 3.49Å; Y322-K340 VanDerWaalsContact CD1-CB 3.49Å; Y322-K340 HydrophobicContact CD2-CB 4.32Å; Y322-K340 HydrophobicContact CD2-CD 3.99Å; Y322-K340 HydrophobicContact CE1-CB 3.78Å; Y322-K340 HydrophobicContact CE1-CD 4.42Å; Y322-K340 HydrophobicContact CE2-CD 3.86Å; Y322-K340 HydrophobicContact CG-CB 3.8Å; Y322-K340 HydrophobicContact CG-CD 4.31Å; Y322-V341 CarbonylContact C-O 3.53Å; Y322-V341 WeakPolarHBondContact CA-O 3.16Å; Y322-V341 VanDerWaalsContact CB-O 3.31Å; Y322-V341 WeakPolarHBondContact CB-O 3.5Å; Y322-P342 HydrophobicContact CD1-CB 4.5Å; Y322-P342 HydrophobicContact CD1-CG 4.27Å; Y322-P342 HydrophobicContact CE1-CG 4.24Å; Y322-H530 WeakPolarHBondContact O-CB 3.48Å; Y322-H530 VanDerWaalsContact O-CG 3.27Å; Y322-H530 PolarHBondContact O-ND1 3.36Å
323	W	98.3	Very high	95.7	Very high	18 Å²	18	51.9 Å²	51.9	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-27.4	-180	71.4	-95.2	0	0	0	112.4	V341 S343 C345 V348 L389 C391 V397 L529 H530	W323-V341 HydrophobicContact CZ2-CG1 4.33Å; W323-V341 PolarHBondContact N-O 3.11Å; W323-S343 PolarHBondContact N-OG 3.14Å; W323-C345 PolarHBondContact NE1-O 3.31Å; W323-V348 HydrophobicContact CH2-CG1 4.43Å; W323-V348 HydrophobicContact CZ2-CG1 3.93Å; W323-L389 HydrophobicContact CH2-CB 3.98Å; W323-C391 HydrophobicContact CD2-CB 3.77Å; W323-C391 HydrophobicContact CE3-CB 3.81Å; W323-C391 HydrophobicContact CG-CB 4.34Å; W323-C391 HydrophobicContact CH2-CB 4.15Å; W323-C391 HydrophobicContact CZ2-CB 4.09Å; W323-C391 HydrophobicContact CZ3-CB 4.01Å; W323-V397 HydrophobicContact CH2-CG1 4.43Å; W323-V397 HydrophobicContact CZ3-CG1 4.3Å; W323-V397 HydrophobicContact CZ3-CG2 4.06Å; W323-L529 HydrophobicContact CZ3-CD2 4.16Å; W323-H530 PolarHBondContact O-N 3.11Å
324	C	98.6	Very high	96.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.3	169.1	71.8	0	0	0	0	113.8	V341 I527 H528 L529	C324-V341 PolarHBondContact O-N 3.39Å; C324-V341 VanDerWaalsContact SG-CG2 3.51Å; C324-I527 HydrophobicContact CB-CG2 4.01Å; C324-H528 CarbonylContact C-O 3.57Å; C324-H528 WeakPolarHBondContact CA-O 3.32Å; C324-H528 VanDerWaalsContact CB-O 3.24Å; C324-H528 WeakPolarHBondContact CB-O 3.24Å; C324-L529 HydrophobicContact CB-CD2 4.11Å
325	S	98.6	Very high	96.6	Very high	12 Å²	12	51 Å²	51	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.7	165.5	-63.7	0	0	0	0	110.6	F339 I527 H528 H530	S325-F339 CarbonylContact C-O 2.97Å; S325-F339 WeakPolarHBondContact CA-O 3.36Å; S325-I527 CarbonylContact O-C 3.59Å; S325-I527 WeakPolarHBondContact O-CA 3.47Å; S325-H528 PolarHBondContact N-O 2.78Å; S325-H528 PolarHBondContact O-N 2.82Å; S325-H530 WeakPolarHBondContact CB-NE2 3.42Å; S325-H530 PolarHBondContact N-NE2 2.86Å; S325-H530 PolarHBondContact OG-CE1 2.98Å; S325-H530 PolarHBondContact OG-NE2 2.84Å
326	I	98.8	Very high	97	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.2	-175.5	-52	165.7	0	0	0	109	F339 V341 V348 V350 F362 L389 I525 E526 I527	I326-F339 HydrophobicContact CB-CB 4.4Å; I326-F339 HydrophobicContact CD1-CD1 4.45Å; I326-F339 PolarHBondContact N-O 3.45Å; I326-F339 PolarHBondContact O-N 2.97Å; I326-V341 HydrophobicContact CD1-CG2 3.91Å; I326-V341 HydrophobicContact CG1-CG2 4.49Å; I326-V348 HydrophobicContact CD1-CG1 4.08Å; I326-V348 HydrophobicContact CD1-CG2 4.29Å; I326-V350 HydrophobicContact CD1-CG2 3.87Å; I326-F362 HydrophobicContact CB-CD1 4.41Å; I326-F362 HydrophobicContact CG2-CD1 4.12Å; I326-F362 HydrophobicContact CG2-CE1 4.12Å; I326-L389 HydrophobicContact CD1-CD1 4.04Å; I326-I525 HydrophobicContact CG2-CB 3.89Å; I326-I525 HydrophobicContact CG2-CD1 4.18Å; I326-I525 HydrophobicContact CG2-CG2 3.9Å; I326-E526 WeakPolarHBondContact CA-O 3.43Å; I326-I527 HydrophobicContact CG1-CG1 4.32Å; I326-I527 HydrophobicContact CG1-CG2 4.41Å; I326-I527 HydrophobicContact CG2-CG1 4.36Å
327	A	98.8	Very high	97.2	Very high	7 Å²	7	53 Å²	53	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	171.8	0	0	0	0	0	109.8	F329 T338 I525 E526	A327-F329 HydrophobicContact CB-CD2 4.48Å; A327-F329 HydrophobicContact CB-CE2 3.67Å; A327-F329 HydrophobicContact CB-CZ 4.27Å; A327-T338 HydrophobicContact CB-CG2 4.48Å; A327-I525 CarbonylContact O-C 3.5Å; A327-I525 VanDerWaalsContact O-CA 3.27Å; A327-I525 WeakPolarHBondContact O-CA 3.5Å; A327-E526 PolarHBondContact N-O 2.94Å; A327-E526 PolarHBondContact O-N 2.96Å
328	Y	98.8	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.5	178.3	174.2	-119.6	0	0	0	111.4	E330 Q334 V335 L364 L367 R380 C523 W524 I525	Y328-E330 HydrophobicContact CE1-CG 3.8Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.36Å; Y328-E330 WeakPolarHBondContact OH-CG 3.32Å; Y328-E330 PolarHBondContact OH-OE1 3.27Å; Y328-Q334 WeakPolarHBondContact O-CA 3.33Å; Y328-Q334 WeakPolarHBondContact O-CG 3.45Å; Y328-V335 HydrophobicContact CD1-CB 3.72Å; Y328-V335 HydrophobicContact CD1-CG1 3.91Å; Y328-V335 WeakPolarHBondContact CD1-O 3.47Å; Y328-V335 HydrophobicContact CE1-CB 3.92Å; Y328-V335 HydrophobicContact CE1-CG1 3.88Å; Y328-V335 PolarHBondContact O-N 3.14Å; Y328-L364 HydrophobicContact CD1-CD2 4.05Å; Y328-L364 HydrophobicContact CD2-CD1 3.8Å; Y328-L364 HydrophobicContact CD2-CD2 3.93Å; Y328-L364 HydrophobicContact CD2-CG 4.43Å; Y328-L364 HydrophobicContact CE2-CD1 3.8Å; Y328-L364 HydrophobicContact CG-CD1 4.4Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; Y328-L367 HydrophobicContact CD1-CD1 3.64Å; Y328-L367 HydrophobicContact CE1-CD1 4.24Å; Y328-L367 HydrophobicContact CG-CD1 4.43Å; Y328-R380 PolarHBondContact OH-NH1 3.03Å; Y328-C523 HydrophobicContact CE2-CB 3.89Å; Y328-C523 WeakPolarHBondContact OH-CB 3.44Å; Y328-W524 VanDerWaalsContact CD2-O 3.27Å; Y328-W524 WeakPolarHBondContact CD2-O 3.36Å; Y328-I525 HydrophobicContact CD2-CG2 3.96Å
329	F	98.8	Very high	97.8	Very high	27 Å²	27	48 Å²	48	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.1	-177.1	-67.7	-96.4	0	0	0	111.5	A327 V333 Q334 C523 W524 E526	A327-F329 HydrophobicContact CB-CD2 4.48Å; A327-F329 HydrophobicContact CB-CE2 3.67Å; A327-F329 HydrophobicContact CB-CZ 4.27Å; F329-V333 CarbonylContact C-O 3.58Å; F329-V333 VanDerWaalsContact CA-O 3.28Å; F329-V333 WeakPolarHBondContact CA-O 3.38Å; F329-Q334 HydrophobicContact CD1-CB 3.93Å; F329-Q334 HydrophobicContact CE1-CB 3.65Å; F329-Q334 HydrophobicContact CE1-CG 4.26Å; F329-Q334 HydrophobicContact CZ-CB 4.17Å; F329-Q334 HydrophobicContact CZ-CG 4.31Å; F329-C523 WeakPolarHBondContact O-CA 3.32Å; F329-W524 HydrophobicContact CB-CD2 3.81Å; F329-W524 HydrophobicContact CB-CE3 4.47Å; F329-W524 HydrophobicContact CB-CG 4.14Å; F329-W524 HydrophobicContact CB-CH2 4.28Å; F329-W524 HydrophobicContact CB-CZ2 3.6Å; F329-W524 HydrophobicContact CD1-CH2 4.13Å; F329-W524 AromaticContact CD1-CZ2 3.81Å; F329-W524 HydrophobicContact CD1-CZ2 3.81Å; F329-W524 HydrophobicContact CD2-CD2 4.33Å; F329-W524 HydrophobicContact CD2-CE3 4.15Å; F329-W524 AromaticContact CD2-CH2 3.73Å; F329-W524 HydrophobicContact CD2-CH2 3.73Å; F329-W524 AromaticContact CD2-CZ2 3.93Å; F329-W524 HydrophobicContact CD2-CZ2 3.93Å; F329-W524 AromaticContact CD2-CZ3 3.86Å; F329-W524 HydrophobicContact CD2-CZ3 3.86Å; F329-W524 HydrophobicContact CE1-CH2 4.41Å; F329-W524 HydrophobicContact CE1-CZ2 4.48Å; F329-W524 HydrophobicContact CE2-CH2 4.03Å; F329-W524 HydrophobicContact CE2-CZ3 4.22Å; F329-W524 HydrophobicContact CG-CD2 4.29Å; F329-W524 AromaticContact CG-CE2 3.79Å; F329-W524 AromaticContact CG-CH2 3.79Å; F329-W524 HydrophobicContact CG-CH2 3.79Å; F329-W524 AromaticContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ3 4.3Å; F329-W524 HydrophobicContact CZ-CH2 4.38Å; F329-W524 PolarHBondContact N-O 3.24Å; F329-W524 PolarHBondContact O-N 3.39Å; F329-E526 HydrophobicContact CE2-CB 3.99Å
330	E	98.6	Very high	98	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114	166.8	-66.6	179.9	-178.5	0	0	107.7	Y328 D332 V333 V335 N369 R372 I376 R380 P522	Y328-E330 HydrophobicContact CE1-CG 3.8Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.36Å; Y328-E330 WeakPolarHBondContact OH-CG 3.32Å; Y328-E330 PolarHBondContact OH-OE1 3.27Å; E330-D332 PolarHBondContact O-N 3.43Å; E330-V333 PolarHBondContact N-O 2.71Å; E330-V333 PolarHBondContact O-N 2.88Å; E330-V333 VanDerWaalsContact O-N 3.16Å; E330-V335 HydrophobicContact CB-CG2 3.9Å; E330-V335 HydrophobicContact CG-CB 4.44Å; E330-V335 HydrophobicContact CG-CG2 3.85Å; E330-N369 WeakPolarHBondContact OE2-CB 3.19Å; E330-N369 PolarHBondContact OE2-ND2 3.4Å; E330-R372 IonicContact OE1-CZ 3.36Å; E330-R372 VanDerWaalsContact OE1-CZ 3.3Å; E330-R372 IonicContact OE1-NE 2.89Å; E330-R372 PolarHBondContact OE1-NE 3.5Å; E330-R372 VanDerWaalsContact OE1-NE 3.15Å; E330-R372 IonicContact OE1-NH2 2.69Å; E330-R372 PolarHBondContact OE1-NH2 3.28Å; E330-R372 IonicContact OE2-CZ 3.99Å; E330-R372 IonicContact OE2-NE 3.33Å; E330-R372 PolarHBondContact OE2-NE 3.46Å; E330-R372 IonicContact OE2-NH2 3.12Å; E330-R372 PolarHBondContact OE2-NH2 3.37Å; E330-I376 HydrophobicContact CB-CD1 4.3Å; E330-I376 HydrophobicContact CB-CG2 4.11Å; E330-I376 HydrophobicContact CG-CG2 3.86Å; E330-I376 WeakPolarHBondContact OE2-CG2 3.22Å; E330-R380 WeakPolarHBondContact OE1-CD 3.45Å; E330-R380 IonicContact OE1-CZ 3.32Å; E330-R380 IonicContact OE1-NE 2.9Å; E330-R380 IonicContact OE1-NH1 3.58Å; E330-R380 PolarHBondContact OE1-NH1 3.46Å; E330-P522 WeakPolarHBondContact CA-O 3.47Å
331	M	97.6	Very high	98.1	Very high	69 Å²	69	48.9 Å²	48.9	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-125.3	-165.4	-55.2	-65.3	-65.6	0	0	111.2	I376 K519 T521 W524	M331-I376 HydrophobicContact CG-CD1 3.86Å; M331-I376 HydrophobicContact CG-CG1 4.42Å; M331-K519 CarbonylContact C-O 3.57Å; M331-K519 VanDerWaalsContact CA-O 3.23Å; M331-K519 WeakPolarHBondContact CA-O 3.33Å; M331-T521 WeakPolarHBondContact CA-O 3.32Å; M331-T521 PolarHBondContact N-O 3.31Å; M331-T521 VanDerWaalsContact N-O 3.16Å; M331-W524 PolarHBondContact O-NE1 2.85Å
332	D	97.4	Very high	98.2	Very high	122 Å²	122	43.6 Å²	43.6	65%	0.652	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	5.6	177.3	62.2	-31.7	0	0	0	113.7	E330 K519	E330-D332 PolarHBondContact O-N 3.43Å; D332-K519 HydrophobicContact CB-CB 4.32Å; D332-K519 PolarHBondContact N-O 3.33Å
333	V	97.4	Very high	98.1	Very high	47 Å²	47	43.1 Å²	43.1	29%	0.285	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.6	-176.5	-179.2	0	0	0	0	110.5	F329 E330	F329-V333 CarbonylContact C-O 3.58Å; F329-V333 VanDerWaalsContact CA-O 3.28Å; F329-V333 WeakPolarHBondContact CA-O 3.38Å; E330-V333 PolarHBondContact N-O 2.71Å; E330-V333 PolarHBondContact O-N 2.88Å; E330-V333 VanDerWaalsContact O-N 3.16Å
334	Q	98.4	Very high	98.1	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136	169.8	-173.7	174.7	-24.2	0	0	109.9	Y328 F329 T338	Y328-Q334 WeakPolarHBondContact O-CA 3.33Å; Y328-Q334 WeakPolarHBondContact O-CG 3.45Å; F329-Q334 HydrophobicContact CD1-CB 3.93Å; F329-Q334 HydrophobicContact CE1-CB 3.65Å; F329-Q334 HydrophobicContact CE1-CG 4.26Å; F329-Q334 HydrophobicContact CZ-CB 4.17Å; F329-Q334 HydrophobicContact CZ-CG 4.31Å; Q334-T338 PolarHBondContact NE2-OG1 3.2Å
335	V	98.3	Very high	98	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.018	27%	0.274	C	S	.	.			trans	-125.2	118.8	-176.3	174.4	0	0	0	0	109.8	Y328 E330 L367 N369	Y328-V335 HydrophobicContact CD1-CB 3.72Å; Y328-V335 HydrophobicContact CD1-CG1 3.91Å; Y328-V335 WeakPolarHBondContact CD1-O 3.47Å; Y328-V335 HydrophobicContact CE1-CB 3.92Å; Y328-V335 HydrophobicContact CE1-CG1 3.88Å; Y328-V335 PolarHBondContact O-N 3.14Å; E330-V335 HydrophobicContact CB-CG2 3.9Å; E330-V335 HydrophobicContact CG-CB 4.44Å; E330-V335 HydrophobicContact CG-CG2 3.85Å; V335-L367 HydrophobicContact CG1-CB 3.97Å; V335-N369 HydrophobicContact CG1-CB 4Å; V335-N369 HydrophobicContact CG2-CB 3.76Å
336	G	97.1	Very high	98	Very high	39 Å²	39	51.4 Å²	51.4	40%	0.402	29%	0.291	S	S	.	.	S	Bend	trans	78.9	178.1	-174.2	0	0	0	0	0	113.6
337	E	96.6	Very high	97.9	Very high	175 Å²	175	54.3 Å²	54.3	82%	0.818	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-78	158.7	177.3	-60.2	-174.3	150.3	0	0	111.5	F339	E337-F339 PolarHBondContact O-N 3.31Å
338	T	98	Very high	97.9	Very high	67 Å²	67	54 Å²	54	41%	0.411	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-71.8	117.6	175.4	-57.4	0	0	0	0	110.2	A327 Q334	A327-T338 HydrophobicContact CB-CG2 4.48Å; Q334-T338 PolarHBondContact NE2-OG1 3.2Å
339	F	98.4	Very high	97.9	Very high	30 Å²	30	55.1 Å²	55.1	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	123.4	179.7	-167.7	-92.6	0	0	0	111.1	S325 I326 E337 V341 V348 G359 R361 F362	S325-F339 CarbonylContact C-O 2.97Å; S325-F339 WeakPolarHBondContact CA-O 3.36Å; I326-F339 HydrophobicContact CB-CB 4.4Å; I326-F339 HydrophobicContact CD1-CD1 4.45Å; I326-F339 PolarHBondContact N-O 3.45Å; I326-F339 PolarHBondContact O-N 2.97Å; E337-F339 PolarHBondContact O-N 3.31Å; F339-V341 HydrophobicContact CD1-CG2 3.91Å; F339-V341 HydrophobicContact CE1-CG2 3.99Å; F339-V348 HydrophobicContact CE1-CG2 4.04Å; F339-G359 WeakPolarHBondContact CE1-O 3.45Å; F339-G359 WeakPolarHBondContact CZ-O 3.46Å; F339-R361 WeakPolarHBondContact CZ-O 3.41Å; F339-F362 HydrophobicContact CB-CB 4.42Å; F339-F362 HydrophobicContact CB-CD1 3.7Å; F339-F362 HydrophobicContact CB-CD2 3.95Å; F339-F362 HydrophobicContact CB-CE1 3.81Å; F339-F362 HydrophobicContact CB-CE2 4.06Å; F339-F362 HydrophobicContact CB-CG 3.78Å; F339-F362 HydrophobicContact CB-CZ 3.99Å; F339-F362 HydrophobicContact CD1-CB 3.83Å; F339-F362 HydrophobicContact CD1-CD1 4.48Å; F339-F362 HydrophobicContact CD1-CG 4.14Å; F339-F362 HydrophobicContact CD2-CB 3.83Å; F339-F362 HydrophobicContact CD2-CD1 4.47Å; F339-F362 AromaticContact CD2-CD2 3.46Å; F339-F362 HydrophobicContact CD2-CD2 3.46Å; F339-F362 VanDerWaalsContact CD2-CD2 3.46Å; F339-F362 HydrophobicContact CD2-CE2 4.11Å; F339-F362 AromaticContact CD2-CG 3.68Å; F339-F362 HydrophobicContact CD2-CG 3.68Å; F339-F362 HydrophobicContact CE1-CB 3.94Å; F339-F362 HydrophobicContact CE2-CB 3.94Å; F339-F362 HydrophobicContact CE2-CD2 4.09Å; F339-F362 HydrophobicContact CE2-CG 4.26Å; F339-F362 HydrophobicContact CG-CB 3.75Å; F339-F362 AromaticContact CG-CD1 3.99Å; F339-F362 HydrophobicContact CG-CD1 3.99Å; F339-F362 AromaticContact CG-CD2 3.81Å; F339-F362 HydrophobicContact CG-CD2 3.81Å; F339-F362 HydrophobicContact CG-CE2 4.39Å; F339-F362 AromaticContact CG-CG 3.59Å; F339-F362 HydrophobicContact CG-CG 3.59Å; F339-F362 HydrophobicContact CZ-CB 3.99Å
340	K	98.4	Very high	97.9	Very high	115 Å²	115	53.9 Å²	53.9	50%	0.5	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.2	177.9	-57.8	-175.6	-179.6	176.7	0	110.3	Y322	Y322-K340 HydrophobicContact CD1-CB 3.49Å; Y322-K340 VanDerWaalsContact CD1-CB 3.49Å; Y322-K340 HydrophobicContact CD2-CB 4.32Å; Y322-K340 HydrophobicContact CD2-CD 3.99Å; Y322-K340 HydrophobicContact CE1-CB 3.78Å; Y322-K340 HydrophobicContact CE1-CD 4.42Å; Y322-K340 HydrophobicContact CE2-CD 3.86Å; Y322-K340 HydrophobicContact CG-CB 3.8Å; Y322-K340 HydrophobicContact CG-CD 4.31Å
341	V	98.4	Very high	97.9	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.2	-176.6	-169.2	0	0	0	0	110	Y322 W323 C324 I326 F339 C345 V348	Y322-V341 CarbonylContact C-O 3.53Å; Y322-V341 WeakPolarHBondContact CA-O 3.16Å; Y322-V341 VanDerWaalsContact CB-O 3.31Å; Y322-V341 WeakPolarHBondContact CB-O 3.5Å; W323-V341 HydrophobicContact CZ2-CG1 4.33Å; W323-V341 PolarHBondContact N-O 3.11Å; C324-V341 PolarHBondContact O-N 3.39Å; C324-V341 VanDerWaalsContact SG-CG2 3.51Å; I326-V341 HydrophobicContact CD1-CG2 3.91Å; I326-V341 HydrophobicContact CG1-CG2 4.49Å; F339-V341 HydrophobicContact CD1-CG2 3.91Å; F339-V341 HydrophobicContact CE1-CG2 3.99Å; V341-C345 HydrophobicContact CG1-CB 4.15Å; V341-V348 HydrophobicContact CG1-CB 3.85Å; V341-V348 HydrophobicContact CG1-CG1 4.37Å; V341-V348 HydrophobicContact CG1-CG2 4.35Å; V341-V348 HydrophobicContact CG2-CB 3.99Å; V341-V348 HydrophobicContact CG2-CG1 4.04Å; V341-V348 HydrophobicContact CG2-CG2 3.88Å
342	P	98	Very high	98	Very high	34 Å²	34	51.9 Å²	51.9	22%	0.221	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	145.4	-178.8	-25.3	35.2	0	0	0	112	Y322 S344 C345	Y322-P342 HydrophobicContact CD1-CB 4.5Å; Y322-P342 HydrophobicContact CD1-CG 4.27Å; Y322-P342 HydrophobicContact CE1-CG 4.24Å; P342-S344 WeakPolarHBondContact CB-OG 3.43Å; P342-S344 PolarHBondContact O-N 3.08Å; P342-S344 VanDerWaalsContact O-N 3.12Å; P342-C345 WeakPolarHBondContact O-CA 3.47Å; P342-C345 WeakPolarHBondContact O-CB 3.41Å; P342-C345 PolarHBondContact O-N 3.42Å
343	S	97.1	Very high	98	Very high	51 Å²	51	51.3 Å²	51.3	36%	0.357	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.8	176.9	-67.4	0	0	0	0	114	P320 E321 W323 C345	P320-S343 WeakPolarHBondContact O-CB 3.45Å; P320-S343 PolarHBondContact O-OG 2.75Å; E321-S343 PolarHBondContact O-N 2.98Å; E321-S343 PolarHBondContact O-OG 2.77Å; W323-S343 PolarHBondContact N-OG 3.14Å; S343-C345 VanDerWaalsContact C-N 3.32Å
344	S	96.9	Very high	98.1	Very high	105 Å²	105	53.8 Å²	53.8	73%	0.734	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14	167.5	51.1	0	0	0	0	114.2	P342 P346	P342-S344 WeakPolarHBondContact CB-OG 3.43Å; P342-S344 PolarHBondContact O-N 3.08Å; P342-S344 VanDerWaalsContact O-N 3.12Å; S344-P346 WeakPolarHBondContact O-CD 3.27Å
345	C	97.5	Very high	98	Very high	30 Å²	30	52.6 Å²	52.6	20%	0.203	30%	0.303	C	S	.	.			trans	-109.4	81.3	178.7	-63.9	0	0	0	0	109.6	W323 V341 P342 S343 I347 D360	W323-C345 PolarHBondContact NE1-O 3.31Å; V341-C345 HydrophobicContact CG1-CB 4.15Å; P342-C345 WeakPolarHBondContact O-CA 3.47Å; P342-C345 WeakPolarHBondContact O-CB 3.41Å; P342-C345 PolarHBondContact O-N 3.42Å; S343-C345 VanDerWaalsContact C-N 3.32Å; C345-I347 PolarHBondContact O-N 3.38Å; C345-D360 HydrophobicContact CB-CB 4.13Å
346	P	97.7	Very high	97.8	Very high	69 Å²	69	57.6 Å²	57.6	45%	0.448	34%	0.335	S	S	.	.	S	Bend	trans	-68.1	-16.5	-176.1	29.1	-37	0	0	0	113.2	S344 E390 C391	S344-P346 WeakPolarHBondContact O-CD 3.27Å; P346-E390 CarbonylContact O-C 3.59Å; P346-E390 WeakPolarHBondContact O-CA 3.45Å; P346-C391 PolarHBondContact O-N 3.17Å
347	I	98.5	Very high	97.6	Very high	61 Å²	61	60.6 Å²	60.6	31%	0.313	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.4	173.4	-60.5	172.7	0	0	0	107.7	C345 Q388 L389 E390	C345-I347 PolarHBondContact O-N 3.38Å; I347-Q388 HydrophobicContact CG2-CB 4.21Å; I347-Q388 HydrophobicContact CG2-CG 4.01Å; I347-L389 WeakPolarHBondContact CA-O 3.33Å; I347-E390 HydrophobicContact CD1-CG 4.37Å; I347-E390 HydrophobicContact CG1-CB 4.07Å; I347-E390 HydrophobicContact CG1-CG 3.84Å
348	V	98.7	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.5	167.3	61.1	0	0	0	0	110	W323 I326 F339 V341 D360 Q388 L389	W323-V348 HydrophobicContact CH2-CG1 4.43Å; W323-V348 HydrophobicContact CZ2-CG1 3.93Å; I326-V348 HydrophobicContact CD1-CG1 4.08Å; I326-V348 HydrophobicContact CD1-CG2 4.29Å; F339-V348 HydrophobicContact CE1-CG2 4.04Å; V341-V348 HydrophobicContact CG1-CB 3.85Å; V341-V348 HydrophobicContact CG1-CG1 4.37Å; V341-V348 HydrophobicContact CG1-CG2 4.35Å; V341-V348 HydrophobicContact CG2-CB 3.99Å; V341-V348 HydrophobicContact CG2-CG1 4.04Å; V341-V348 HydrophobicContact CG2-CG2 3.88Å; V348-D360 CarbonylContact C-O 3.52Å; V348-D360 VanDerWaalsContact CA-O 3.24Å; V348-D360 WeakPolarHBondContact CA-O 3.47Å; V348-Q388 CarbonylContact O-C 3.58Å; V348-Q388 VanDerWaalsContact O-CA 3.3Å; V348-Q388 WeakPolarHBondContact O-CA 3.38Å; V348-L389 HydrophobicContact CG1-CB 3.74Å; V348-L389 HydrophobicContact CG1-CD1 4.04Å; V348-L389 HydrophobicContact CG1-CG 4.08Å; V348-L389 PolarHBondContact N-O 3.21Å; V348-L389 PolarHBondContact O-N 3.41Å
349	T	98.8	Very high	97.2	Very high	24 Å²	24	51.8 Å²	51.8	15%	0.147	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125	172.6	-54.5	0	0	0	0	109.5	D351 D360 R361 F362 V387 Q388 L402	T349-D351 HydrophobicContact CG2-CB 4.32Å; T349-D360 PolarHBondContact N-O 3.09Å; T349-R361 CarbonylContact O-C 3.5Å; T349-R361 WeakPolarHBondContact O-CA 3.37Å; T349-F362 PolarHBondContact O-N 2.88Å; T349-V387 WeakPolarHBondContact CA-O 3.23Å; T349-Q388 HydrophobicContact CG2-CG 4.35Å; T349-Q388 WeakPolarHBondContact OG1-CG 3.48Å; T349-Q388 PolarHBondContact OG1-NE2 2.95Å; T349-L402 HydrophobicContact CG2-CD1 4.44Å
350	V	98.8	Very high	97.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.5	174	-174	0	0	0	0	108.1	I326 F362 L364 G386 V387 F505 I525	I326-V350 HydrophobicContact CD1-CG2 3.87Å; V350-F362 WeakPolarHBondContact CA-O 3.22Å; V350-F362 HydrophobicContact CG1-CD1 4.1Å; V350-F362 HydrophobicContact CG2-CB 4.36Å; V350-L364 HydrophobicContact CG1-CD1 3.87Å; V350-L364 HydrophobicContact CG1-CD2 4.32Å; V350-L364 HydrophobicContact CG1-CG 4.1Å; V350-G386 VanDerWaalsContact O-CA 3.32Å; V350-G386 WeakPolarHBondContact O-CA 3.44Å; V350-V387 HydrophobicContact CB-CG2 4.23Å; V350-V387 PolarHBondContact N-O 3.33Å; V350-V387 PolarHBondContact O-N 2.87Å; V350-F505 HydrophobicContact CG1-CZ 4.05Å; V350-I525 HydrophobicContact CG1-CD1 4.38Å; V350-I525 HydrophobicContact CG2-CD1 4.49Å
351	D	98.8	Very high	97.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	173.2	-167.6	75.3	43.6	0	0	0	114.5	T349 Y353 R361 F362 L364	T349-D351 HydrophobicContact CG2-CB 4.32Å; D351-Y353 HydrophobicContact CB-CD2 4.12Å; D351-Y353 VanDerWaalsContact OD1-CB 3.32Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.49Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.49Å; D351-Y353 PolarHBondContact OD1-N 2.96Å; D351-R361 IonicContact OD1-NH2 2.69Å; D351-R361 IonicContact OD2-CZ 2.69Å; D351-R361 VanDerWaalsContact OD2-CZ 3.25Å; D351-R361 IonicContact OD2-NE 3.79Å; D351-R361 PolarHBondContact OD2-NE 3.04Å; D351-R361 IonicContact OD2-NH2 3.71Å; D351-R361 PolarHBondContact OD2-NH2 2.79Å; D351-F362 PolarHBondContact N-O 3.25Å; D351-F362 VanDerWaalsContact N-O 3.11Å; D351-L364 WeakPolarHBondContact O-CB 3.46Å; D351-L364 WeakPolarHBondContact O-CG 3.27Å; D351-L364 PolarHBondContact O-N 3.34Å
352	G	98.4	Very high	97.1	Very high	25 Å²	25	53.3 Å²	53.3	26%	0.258	33%	0.329	S	S	.	.	S	Bend	trans	-92.5	8.4	-178.3	0	0	0	0	0	115.2	G384	G352-G384 PolarHBondContact N-O 3.36Å
353	Y	98.3	Very high	97.1	Very high	110 Å²	110	51.8 Å²	51.8	43%	0.431	32%	0.318	S	S	.	.	S	Bend	trans	-82.2	-166	176.6	-61	-79.7	0	0	0	110.6	D351 C363 G365 Q366 K385	D351-Y353 HydrophobicContact CB-CD2 4.12Å; D351-Y353 VanDerWaalsContact OD1-CB 3.32Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.49Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.49Å; D351-Y353 PolarHBondContact OD1-N 2.96Å; Y353-C363 WeakPolarHBondContact O-CB 3.45Å; Y353-G365 WeakPolarHBondContact O-CA 3.41Å; Y353-G365 PolarHBondContact O-N 3.29Å; Y353-Q366 PolarHBondContact O-OE1 2.92Å; Y353-K385 HydrophobicContact CE2-CG 4.23Å
354	V	98.2	Very high	97.2	Very high	100 Å²	100	49.3 Å²	49.3	61%	0.606	30%	0.301	S	S	*	.			trans	-127.5	7.5	-160.8	-62.2	0	0	0	0	115.6	P356 Q366	V354-P356 WeakPolarHBondContact O-CD 3.45Å; V354-Q366 HydrophobicContact CB-CB 4.06Å; V354-Q366 HydrophobicContact CG1-CB 4.34Å
355	D	96.8	Very high	97.2	Very high	63 Å²	63	45.6 Å²	45.6	34%	0.337	28%	0.279	S	S	.	.			trans	-77.5	115.3	-175.4	-178.8	-5.1	0	0	0	111.5	S357 R361 C363	D355-S357 VanDerWaalsContact C-N 3.33Å; D355-S357 PolarHBondContact O-N 2.92Å; D355-S357 VanDerWaalsContact OD1-CB 3.25Å; D355-S357 WeakPolarHBondContact OD1-CB 2.84Å; D355-S357 PolarHBondContact OD1-N 3.35Å; D355-S357 PolarHBondContact OD1-OG 3.48Å; D355-R361 IonicContact OD2-NH1 2.84Å; D355-R361 PolarHBondContact OD2-NH1 3.24Å; D355-C363 PolarHBondContact N-SG 3.01Å; D355-C363 WeakPolarHBondContact O-CB 3.43Å; D355-C363 PolarHBondContact O-SG 2.73Å
356	P	94.9	Very high	97.2	Very high	107 Å²	107	47.4 Å²	47.4	70%	0.695	29%	0.285	S	S	*	.			trans	-85.8	2	-175.1	37.1	-36.9	0	0	0	114	V354 G358	V354-P356 WeakPolarHBondContact O-CD 3.45Å; P356-G358 PolarHBondContact O-N 2.77Å
357	S	92	Very high	97.2	Very high	102 Å²	102	45.4 Å²	45.4	71%	0.713	27%	0.27	S	S	*	.			trans	-61.4	-27.6	-169	-55.5	0	0	0	0	114.6	D355	D355-S357 VanDerWaalsContact C-N 3.33Å; D355-S357 PolarHBondContact O-N 2.92Å; D355-S357 VanDerWaalsContact OD1-CB 3.25Å; D355-S357 WeakPolarHBondContact OD1-CB 2.84Å; D355-S357 PolarHBondContact OD1-N 3.35Å; D355-S357 PolarHBondContact OD1-OG 3.48Å
358	G	91.6	Very high	97.1	Very high	21 Å²	21	47.6 Å²	47.6	22%	0.216	29%	0.291	C	S	.	.			trans	74.1	-146.3	176.7	0	0	0	0	0	114.8	P356 D360 R361	P356-G358 PolarHBondContact O-N 2.77Å; G358-D360 PolarHBondContact O-N 2.93Å; G358-R361 WeakPolarHBondContact CA-O 3.29Å; G358-R361 PolarHBondContact O-N 3.28Å
359	G	94.5	Very high	97.1	Very high	37 Å²	37	48.9 Å²	48.9	38%	0.381	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-105.2	-175.6	0	0	0	0	0	112.8	F339	F339-G359 WeakPolarHBondContact CE1-O 3.45Å; F339-G359 WeakPolarHBondContact CZ-O 3.46Å
360	D	96.9	Very high	97	Very high	92 Å²	92	54.3 Å²	54.3	49%	0.492	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.6	178.9	73.5	-27.8	0	0	0	113.3	C345 V348 T349 G358	C345-D360 HydrophobicContact CB-CB 4.13Å; V348-D360 CarbonylContact C-O 3.52Å; V348-D360 VanDerWaalsContact CA-O 3.24Å; V348-D360 WeakPolarHBondContact CA-O 3.47Å; T349-D360 PolarHBondContact N-O 3.09Å; G358-D360 PolarHBondContact O-N 2.93Å
361	R	98.5	Very high	96.9	Very high	73 Å²	73	60.3 Å²	60.3	28%	0.275	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	123.3	-177.9	-169	177.2	-177.8	-148.1	-0.2	113.2	F339 T349 D351 D355 G358	F339-R361 WeakPolarHBondContact CZ-O 3.41Å; T349-R361 CarbonylContact O-C 3.5Å; T349-R361 WeakPolarHBondContact O-CA 3.37Å; D351-R361 IonicContact OD1-NH2 2.69Å; D351-R361 IonicContact OD2-CZ 2.69Å; D351-R361 VanDerWaalsContact OD2-CZ 3.25Å; D351-R361 IonicContact OD2-NE 3.79Å; D351-R361 PolarHBondContact OD2-NE 3.04Å; D351-R361 IonicContact OD2-NH2 3.71Å; D351-R361 PolarHBondContact OD2-NH2 2.79Å; D355-R361 IonicContact OD2-NH1 2.84Å; D355-R361 PolarHBondContact OD2-NH1 3.24Å; G358-R361 WeakPolarHBondContact CA-O 3.29Å; G358-R361 PolarHBondContact O-N 3.28Å
362	F	98.5	Very high	96.9	Very high	12 Å²	12	62.7 Å²	62.7	5%	0.053	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	97.1	175.1	-175.4	-153.3	0	0	0	110.6	I326 F339 T349 V350 D351 L364 L367	I326-F362 HydrophobicContact CB-CD1 4.41Å; I326-F362 HydrophobicContact CG2-CD1 4.12Å; I326-F362 HydrophobicContact CG2-CE1 4.12Å; F339-F362 HydrophobicContact CB-CB 4.42Å; F339-F362 HydrophobicContact CB-CD1 3.7Å; F339-F362 HydrophobicContact CB-CD2 3.95Å; F339-F362 HydrophobicContact CB-CE1 3.81Å; F339-F362 HydrophobicContact CB-CE2 4.06Å; F339-F362 HydrophobicContact CB-CG 3.78Å; F339-F362 HydrophobicContact CB-CZ 3.99Å; F339-F362 HydrophobicContact CD1-CB 3.83Å; F339-F362 HydrophobicContact CD1-CD1 4.48Å; F339-F362 HydrophobicContact CD1-CG 4.14Å; F339-F362 HydrophobicContact CD2-CB 3.83Å; F339-F362 HydrophobicContact CD2-CD1 4.47Å; F339-F362 AromaticContact CD2-CD2 3.46Å; F339-F362 HydrophobicContact CD2-CD2 3.46Å; F339-F362 VanDerWaalsContact CD2-CD2 3.46Å; F339-F362 HydrophobicContact CD2-CE2 4.11Å; F339-F362 AromaticContact CD2-CG 3.68Å; F339-F362 HydrophobicContact CD2-CG 3.68Å; F339-F362 HydrophobicContact CE1-CB 3.94Å; F339-F362 HydrophobicContact CE2-CB 3.94Å; F339-F362 HydrophobicContact CE2-CD2 4.09Å; F339-F362 HydrophobicContact CE2-CG 4.26Å; F339-F362 HydrophobicContact CG-CB 3.75Å; F339-F362 AromaticContact CG-CD1 3.99Å; F339-F362 HydrophobicContact CG-CD1 3.99Å; F339-F362 AromaticContact CG-CD2 3.81Å; F339-F362 HydrophobicContact CG-CD2 3.81Å; F339-F362 HydrophobicContact CG-CE2 4.39Å; F339-F362 AromaticContact CG-CG 3.59Å; F339-F362 HydrophobicContact CG-CG 3.59Å; F339-F362 HydrophobicContact CZ-CB 3.99Å; T349-F362 PolarHBondContact O-N 2.88Å; V350-F362 WeakPolarHBondContact CA-O 3.22Å; V350-F362 HydrophobicContact CG1-CD1 4.1Å; V350-F362 HydrophobicContact CG2-CB 4.36Å; D351-F362 PolarHBondContact N-O 3.25Å; D351-F362 VanDerWaalsContact N-O 3.11Å; F362-L364 HydrophobicContact CD1-CD2 3.89Å; F362-L364 HydrophobicContact CD2-CD2 4.31Å; F362-L364 HydrophobicContact CE1-CD2 3.54Å; F362-L364 HydrophobicContact CE2-CD2 3.99Å; F362-L364 HydrophobicContact CG-CD2 4.26Å; F362-L364 HydrophobicContact CZ-CD2 3.6Å; F362-L367 HydrophobicContact CE2-CD1 4.16Å; F362-L367 HydrophobicContact CZ-CD1 4.18Å
363	C	98.4	Very high	96.8	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131	173.5	-65.6	0	0	0	0	110.7	Y353 D355 Q366	Y353-C363 WeakPolarHBondContact O-CB 3.45Å; D355-C363 PolarHBondContact N-SG 3.01Å; D355-C363 WeakPolarHBondContact O-CB 3.43Å; D355-C363 PolarHBondContact O-SG 2.73Å; C363-Q366 VanDerWaalsContact C-OE1 3.3Å; C363-Q366 VanDerWaalsContact CB-OE1 3.28Å; C363-Q366 PolarHBondContact O-NE2 2.6Å; C363-Q366 PolarHBondContact O-OE1 2.69Å; C363-Q366 VanDerWaalsContact O-OE1 3.06Å
364	L	98.6	Very high	96.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	38%	0.381	C	S	.	.			trans	-100.3	-16.2	-179.5	-57.1	178.7	0	0	0	113.3	Y328 V350 D351 F362 Q366 L367 R380 I383 F505	Y328-L364 HydrophobicContact CD1-CD2 4.05Å; Y328-L364 HydrophobicContact CD2-CD1 3.8Å; Y328-L364 HydrophobicContact CD2-CD2 3.93Å; Y328-L364 HydrophobicContact CD2-CG 4.43Å; Y328-L364 HydrophobicContact CE2-CD1 3.8Å; Y328-L364 HydrophobicContact CG-CD1 4.4Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; V350-L364 HydrophobicContact CG1-CD1 3.87Å; V350-L364 HydrophobicContact CG1-CD2 4.32Å; V350-L364 HydrophobicContact CG1-CG 4.1Å; D351-L364 WeakPolarHBondContact O-CB 3.46Å; D351-L364 WeakPolarHBondContact O-CG 3.27Å; D351-L364 PolarHBondContact O-N 3.34Å; F362-L364 HydrophobicContact CD1-CD2 3.89Å; F362-L364 HydrophobicContact CD2-CD2 4.31Å; F362-L364 HydrophobicContact CE1-CD2 3.54Å; F362-L364 HydrophobicContact CE2-CD2 3.99Å; F362-L364 HydrophobicContact CG-CD2 4.26Å; F362-L364 HydrophobicContact CZ-CD2 3.6Å; L364-Q366 PolarHBondContact O-N 3.09Å; L364-L367 HydrophobicContact CD2-CD1 3.92Å; L364-L367 PolarHBondContact O-N 2.73Å; L364-R380 PolarHBondContact O-NH1 2.98Å; L364-R380 PolarHBondContact O-NH2 3.02Å; L364-I383 HydrophobicContact CD1-CD1 4.3Å; L364-F505 HydrophobicContact CD1-CE2 4.08Å; L364-F505 HydrophobicContact CD1-CZ 4.47Å
365	G	97.9	Very high	96.8	Very high	26 Å²	26	63.4 Å²	63.4	27%	0.268	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.7	-169.3	0	0	0	0	0	114.1	Y353 R380	Y353-G365 WeakPolarHBondContact O-CA 3.41Å; Y353-G365 PolarHBondContact O-N 3.29Å; G365-R380 VanDerWaalsContact C-NH2 3.31Å; G365-R380 VanDerWaalsContact CA-NH2 3.32Å; G365-R380 PolarHBondContact O-NH2 3.42Å
366	Q	96.5	Very high	96.8	Very high	68 Å²	68	60.6 Å²	60.6	32%	0.318	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.4	179	78.9	-67.6	-0.5	0	0	114.3	Y353 V354 C363 L364	Y353-Q366 PolarHBondContact O-OE1 2.92Å; V354-Q366 HydrophobicContact CB-CB 4.06Å; V354-Q366 HydrophobicContact CG1-CB 4.34Å; C363-Q366 VanDerWaalsContact C-OE1 3.3Å; C363-Q366 VanDerWaalsContact CB-OE1 3.28Å; C363-Q366 PolarHBondContact O-NE2 2.6Å; C363-Q366 PolarHBondContact O-OE1 2.69Å; C363-Q366 VanDerWaalsContact O-OE1 3.06Å; L364-Q366 PolarHBondContact O-N 3.09Å
367	L	97.7	Very high	97	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	35%	0.35	C	S	.	.			trans	-69.2	132.7	-178.5	-57.3	178.9	0	0	0	111.1	Y328 V335 F362 L364 R372	Y328-L367 HydrophobicContact CD1-CD1 3.64Å; Y328-L367 HydrophobicContact CE1-CD1 4.24Å; Y328-L367 HydrophobicContact CG-CD1 4.43Å; V335-L367 HydrophobicContact CG1-CB 3.97Å; F362-L367 HydrophobicContact CE2-CD1 4.16Å; F362-L367 HydrophobicContact CZ-CD1 4.18Å; L364-L367 HydrophobicContact CD2-CD1 3.92Å; L364-L367 PolarHBondContact O-N 2.73Å; L367-R372 VanDerWaalsContact O-CZ 3.28Å; L367-R372 PolarHBondContact O-NH1 3.45Å; L367-R372 PolarHBondContact O-NH2 3.3Å
368	S	97.4	Very high	97.3	Very high	107 Å²	107	61.5 Å²	61.5	75%	0.748	34%	0.34	S	S	*	.			trans	-94.9	145.4	177.9	-70.2	0	0	0	0	112
369	N	97.5	Very high	97.6	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.144	33%	0.33	C	S	.	.			trans	-146.7	120.9	173.5	173.4	14.3	0	0	0	109.5	E330 V335 H371 R372	E330-N369 WeakPolarHBondContact OE2-CB 3.19Å; E330-N369 PolarHBondContact OE2-ND2 3.4Å; V335-N369 HydrophobicContact CG1-CB 4Å; V335-N369 HydrophobicContact CG2-CB 3.76Å; N369-H371 PolarHBondContact O-N 3.23Å; N369-H371 PolarHBondContact OD1-N 3.21Å; N369-R372 HydrophobicContact CB-CB 4.12Å; N369-R372 VanDerWaalsContact O-CB 3.26Å; N369-R372 WeakPolarHBondContact O-CB 3.5Å; N369-R372 PolarHBondContact O-N 2.83Å
370	V	97.6	Very high	97.8	Very high	138 Å²	138	60.2 Å²	60.2	84%	0.836	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.8	-179.9	-62.5	0	0	0	0	113.6
371	H	95.7	Very high	97.8	Very high	126 Å²	126	62.5 Å²	62.5	58%	0.583	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	9.1	175.7	-57.6	-49.4	0	0	0	112.8	N369 T373	N369-H371 PolarHBondContact O-N 3.23Å; N369-H371 PolarHBondContact OD1-N 3.21Å; H371-T373 PolarHBondContact O-N 3.22Å
372	R	98	Very high	97.8	Very high	55 Å²	55	62.9 Å²	62.9	21%	0.208	33%	0.334	C	S	.	.			trans	-64.7	133.7	178.4	-171.2	170.3	-68.2	148.7	-1	110.4	E330 L367 N369 I376 E377	E330-R372 IonicContact OE1-CZ 3.36Å; E330-R372 VanDerWaalsContact OE1-CZ 3.3Å; E330-R372 IonicContact OE1-NE 2.89Å; E330-R372 PolarHBondContact OE1-NE 3.5Å; E330-R372 VanDerWaalsContact OE1-NE 3.15Å; E330-R372 IonicContact OE1-NH2 2.69Å; E330-R372 PolarHBondContact OE1-NH2 3.28Å; E330-R372 IonicContact OE2-CZ 3.99Å; E330-R372 IonicContact OE2-NE 3.33Å; E330-R372 PolarHBondContact OE2-NE 3.46Å; E330-R372 IonicContact OE2-NH2 3.12Å; E330-R372 PolarHBondContact OE2-NH2 3.37Å; L367-R372 VanDerWaalsContact O-CZ 3.28Å; L367-R372 PolarHBondContact O-NH1 3.45Å; L367-R372 PolarHBondContact O-NH2 3.3Å; N369-R372 HydrophobicContact CB-CB 4.12Å; N369-R372 VanDerWaalsContact O-CB 3.26Å; N369-R372 WeakPolarHBondContact O-CB 3.5Å; N369-R372 PolarHBondContact O-N 2.83Å; R372-I376 HydrophobicContact CG-CB 4.09Å; R372-I376 HydrophobicContact CG-CG2 3.91Å; R372-E377 HydrophobicContact CG-CG 3.81Å
373	T	98	Very high	97.8	Very high	70 Å²	70	62.4 Å²	62.4	43%	0.429	33%	0.331	S	S	.	.			trans	-111	159.6	177.7	65.5	0	0	0	0	110.5	H371 A375 I376 E377	H371-T373 PolarHBondContact O-N 3.22Å; T373-A375 PolarHBondContact O-N 3.06Å; T373-A375 VanDerWaalsContact O-N 3.08Å; T373-I376 HydrophobicContact CG2-CD1 4.48Å; T373-I376 WeakPolarHBondContact O-CA 3.07Å; T373-I376 WeakPolarHBondContact O-CB 3.39Å; T373-I376 PolarHBondContact O-N 3.29Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.35Å; T373-I376 WeakPolarHBondContact OG1-CG1 3.35Å; T373-E377 PolarHBondContact O-N 3.15Å
374	E	97.9	Very high	97.8	Very high	118 Å²	118	63.4 Å²	63.4	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-54.9	-29.4	176.2	-162	-160.6	-165	0	0	112.7	R378	E374-R378 WeakPolarHBondContact O-CB 3.31Å; E374-R378 VanDerWaalsContact O-CG 3.26Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 3.32Å; E374-R378 IonicContact OE1-CZ 3.38Å; E374-R378 IonicContact OE1-NH1 3.72Å; E374-R378 IonicContact OE1-NH2 3.92Å; E374-R378 PolarHBondContact OE1-NH2 3.5Å; E374-R378 IonicContact OE2-CZ 2.76Å; E374-R378 IonicContact OE2-NH1 2.96Å; E374-R378 PolarHBondContact OE2-NH1 3.45Å; E374-R378 IonicContact OE2-NH2 3.17Å; E374-R378 PolarHBondContact OE2-NH2 2.96Å
375	A	97.1	Very high	97.8	Very high	61 Å²	61	68.5 Å²	68.5	50%	0.504	36%	0.364	S	S	.	.	H	α-helix	trans	-69.1	-35	174.3	0	0	0	0	0	112.8	T373 A379	T373-A375 PolarHBondContact O-N 3.06Å; T373-A375 VanDerWaalsContact O-N 3.08Å; A375-A379 PolarHBondContact O-N 2.77Å
376	I	98.4	Very high	97.8	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-73.4	-42.8	175.6	-64	162.6	0	0	0	110.2	E330 M331 R372 T373 A379 R380 P522	E330-I376 HydrophobicContact CB-CD1 4.3Å; E330-I376 HydrophobicContact CB-CG2 4.11Å; E330-I376 HydrophobicContact CG-CG2 3.86Å; E330-I376 WeakPolarHBondContact OE2-CG2 3.22Å; M331-I376 HydrophobicContact CG-CD1 3.86Å; M331-I376 HydrophobicContact CG-CG1 4.42Å; R372-I376 HydrophobicContact CG-CB 4.09Å; R372-I376 HydrophobicContact CG-CG2 3.91Å; T373-I376 HydrophobicContact CG2-CD1 4.48Å; T373-I376 WeakPolarHBondContact O-CA 3.07Å; T373-I376 WeakPolarHBondContact O-CB 3.39Å; T373-I376 PolarHBondContact O-N 3.29Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.35Å; T373-I376 WeakPolarHBondContact OG1-CG1 3.35Å; I376-A379 WeakPolarHBondContact O-CB 3.5Å; I376-A379 PolarHBondContact O-N 3.26Å; I376-A379 VanDerWaalsContact O-N 3.08Å; I376-R380 HydrophobicContact CG2-CG 4.35Å; I376-R380 WeakPolarHBondContact O-CG 3.21Å; I376-R380 PolarHBondContact O-N 2.94Å; I376-P522 HydrophobicContact CB-CB 4.39Å; I376-P522 HydrophobicContact CG1-CB 3.96Å; I376-P522 WeakPolarHBondContact CG2-O 3.28Å
377	E	98	Very high	97.9	Very high	99 Å²	99	64 Å²	64	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-58.4	-49.9	174.9	-66.8	177.9	154.4	0	0	111.7	R372 T373 A379 R380 L381	R372-E377 HydrophobicContact CG-CG 3.81Å; T373-E377 PolarHBondContact O-N 3.15Å; E377-A379 PolarHBondContact O-N 3.41Å; E377-R380 PolarHBondContact O-N 2.8Å; E377-R380 VanDerWaalsContact O-N 3.12Å; E377-L381 PolarHBondContact O-N 3.23Å; E377-L381 VanDerWaalsContact O-N 3.16Å
378	R	97.7	Very high	98	Very high	130 Å²	130	64.7 Å²	64.7	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-56.7	-32.8	173.8	-74.7	-178.3	-171.8	109.7	-7.6	113	E374 H382	E374-R378 WeakPolarHBondContact O-CB 3.31Å; E374-R378 VanDerWaalsContact O-CG 3.26Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 3.32Å; E374-R378 IonicContact OE1-CZ 3.38Å; E374-R378 IonicContact OE1-NH1 3.72Å; E374-R378 IonicContact OE1-NH2 3.92Å; E374-R378 PolarHBondContact OE1-NH2 3.5Å; E374-R378 IonicContact OE2-CZ 2.76Å; E374-R378 IonicContact OE2-NH1 2.96Å; E374-R378 PolarHBondContact OE2-NH1 3.45Å; E374-R378 IonicContact OE2-NH2 3.17Å; E374-R378 PolarHBondContact OE2-NH2 2.96Å; R378-H382 PolarHBondContact O-CE1 3.15Å; R378-H382 PolarHBondContact O-ND1 2.99Å
379	A	98.1	Very high	98.1	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-75.8	-41.4	176.3	0	0	0	0	0	112.1	A375 I376 E377 L381 H382 P522	A375-A379 PolarHBondContact O-N 2.77Å; I376-A379 WeakPolarHBondContact O-CB 3.5Å; I376-A379 PolarHBondContact O-N 3.26Å; I376-A379 VanDerWaalsContact O-N 3.08Å; E377-A379 PolarHBondContact O-N 3.41Å; A379-L381 VanDerWaalsContact C-N 3.31Å; A379-L381 PolarHBondContact O-N 3.46Å; A379-H382 WeakPolarHBondContact O-CB 3.49Å; A379-H382 PolarHBondContact O-N 2.88Å; A379-P522 HydrophobicContact CB-CB 3.61Å; A379-P522 HydrophobicContact CB-CG 3.36Å
380	R	98.6	Very high	98.1	Very high	27 Å²	27	59.8 Å²	59.8	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-38.4	178.7	-73.4	166.3	60	77.5	3.4	112.9	Y328 E330 L364 G365 I376 E377 H382 I383	Y328-R380 PolarHBondContact OH-NH1 3.03Å; E330-R380 WeakPolarHBondContact OE1-CD 3.45Å; E330-R380 IonicContact OE1-CZ 3.32Å; E330-R380 IonicContact OE1-NE 2.9Å; E330-R380 IonicContact OE1-NH1 3.58Å; E330-R380 PolarHBondContact OE1-NH1 3.46Å; L364-R380 PolarHBondContact O-NH1 2.98Å; L364-R380 PolarHBondContact O-NH2 3.02Å; G365-R380 VanDerWaalsContact C-NH2 3.31Å; G365-R380 VanDerWaalsContact CA-NH2 3.32Å; G365-R380 PolarHBondContact O-NH2 3.42Å; I376-R380 HydrophobicContact CG2-CG 4.35Å; I376-R380 WeakPolarHBondContact O-CG 3.21Å; I376-R380 PolarHBondContact O-N 2.94Å; E377-R380 PolarHBondContact O-N 2.8Å; E377-R380 VanDerWaalsContact O-N 3.12Å; R380-H382 PolarHBondContact O-N 3.18Å; R380-H382 VanDerWaalsContact O-N 3.08Å; R380-I383 HydrophobicContact CB-CD1 4.38Å; R380-I383 HydrophobicContact CG-CD1 4.26Å; R380-I383 WeakPolarHBondContact O-CB 3.19Å; R380-I383 WeakPolarHBondContact O-CG1 3.37Å; R380-I383 PolarHBondContact O-N 3.21Å; R380-I383 VanDerWaalsContact O-N 3.08Å
381	L	98.2	Very high	98.1	Very high	141 Å²	141	54.4 Å²	54.4	74%	0.738	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.6	173	-68.1	176.2	0	0	0	113.5	E377 A379	E377-L381 PolarHBondContact O-N 3.23Å; E377-L381 VanDerWaalsContact O-N 3.16Å; A379-L381 VanDerWaalsContact C-N 3.31Å; A379-L381 PolarHBondContact O-N 3.46Å
382	H	98.4	Very high	98.1	Very high	81 Å²	81	51.9 Å²	51.9	38%	0.375	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.2	-175.3	-64.2	105.7	0	0	0	113.8	R378 A379 R380 S403 H405 V506	R378-H382 PolarHBondContact O-CE1 3.15Å; R378-H382 PolarHBondContact O-ND1 2.99Å; A379-H382 WeakPolarHBondContact O-CB 3.49Å; A379-H382 PolarHBondContact O-N 2.88Å; R380-H382 PolarHBondContact O-N 3.18Å; R380-H382 VanDerWaalsContact O-N 3.08Å; H382-S403 PolarHBondContact O-OG 2.8Å; H382-H405 AromaticContact CD2-CE1 3.33Å; H382-H405 PolarHBondContact CD2-CE1 2.85Å; H382-H405 AromaticContact CD2-ND1 3.84Å; H382-H405 AromaticContact CG-CE1 3.9Å; H382-V506 HydrophobicContact CB-CB 4.42Å; H382-V506 HydrophobicContact CB-CG1 3.87Å; H382-V506 HydrophobicContact CB-CG2 3.58Å
383	I	98.7	Very high	97.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-49	170.6	-60.9	172.7	0	0	0	108.8	L364 R380 K385 G386 S403 F505 C523	L364-I383 HydrophobicContact CD1-CD1 4.3Å; R380-I383 HydrophobicContact CB-CD1 4.38Å; R380-I383 HydrophobicContact CG-CD1 4.26Å; R380-I383 WeakPolarHBondContact O-CB 3.19Å; R380-I383 WeakPolarHBondContact O-CG1 3.37Å; R380-I383 PolarHBondContact O-N 3.21Å; R380-I383 VanDerWaalsContact O-N 3.08Å; I383-K385 PolarHBondContact O-N 2.89Å; I383-G386 WeakPolarHBondContact O-CA 3.29Å; I383-G386 PolarHBondContact O-N 3.39Å; I383-S403 VanDerWaalsContact O-CB 3.26Å; I383-S403 WeakPolarHBondContact O-CB 3.44Å; I383-S403 PolarHBondContact O-OG 2.91Å; I383-F505 HydrophobicContact CG1-CB 3.99Å; I383-F505 HydrophobicContact CG1-CG 4.19Å; I383-F505 HydrophobicContact CG2-CD1 4.07Å; I383-F505 HydrophobicContact CG2-CE1 4.25Å; I383-F505 HydrophobicContact CG2-CG 4.42Å; I383-C523 HydrophobicContact CD1-CB 4.36Å
384	G	98	Very high	97.5	Very high	22 Å²	22	51.8 Å²	51.8	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-125.6	179.2	0	0	0	0	0	111.6	G352 G386	G352-G384 PolarHBondContact N-O 3.36Å; G384-G386 PolarHBondContact O-N 3.44Å
385	K	98.5	Very high	97.4	Very high	107 Å²	107	46.5 Å²	46.5	47%	0.465	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-6.9	175.6	-57.4	170.5	-172.6	161.8	0	114.4	Y353 I383 V387 L402	Y353-K385 HydrophobicContact CE2-CG 4.23Å; I383-K385 PolarHBondContact O-N 2.89Å; K385-V387 PolarHBondContact O-N 3.43Å; K385-L402 HydrophobicContact CB-CB 3.75Å
386	G	98.6	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.			trans	58.4	-124	172.8	0	0	0	0	0	114.3	V350 I383 G384 L402 S403	V350-G386 VanDerWaalsContact O-CA 3.32Å; V350-G386 WeakPolarHBondContact O-CA 3.44Å; I383-G386 WeakPolarHBondContact O-CA 3.29Å; I383-G386 PolarHBondContact O-N 3.39Å; G384-G386 PolarHBondContact O-N 3.44Å; G386-L402 CarbonylContact O-C 3.58Å; G386-L402 PolarHBondContact O-N 3.41Å; G386-S403 WeakPolarHBondContact O-CB 3.49Å; G386-S403 PolarHBondContact O-N 3.47Å
387	V	98.8	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.4	-176.4	-63.1	0	0	0	0	112.4	T349 V350 K385 L389 V399 R400 V407 M503 F505	T349-V387 WeakPolarHBondContact CA-O 3.23Å; V350-V387 HydrophobicContact CB-CG2 4.23Å; V350-V387 PolarHBondContact N-O 3.33Å; V350-V387 PolarHBondContact O-N 2.87Å; K385-V387 PolarHBondContact O-N 3.43Å; V387-L389 HydrophobicContact CG2-CD2 4.19Å; V387-V399 HydrophobicContact CB-CG1 4.48Å; V387-V399 HydrophobicContact CG1-CG1 4.41Å; V387-R400 VanDerWaalsContact CA-O 3.29Å; V387-R400 WeakPolarHBondContact CA-O 3.17Å; V387-V407 HydrophobicContact CG1-CB 4.5Å; V387-V407 HydrophobicContact CG1-CG1 3.76Å; V387-V407 HydrophobicContact CG1-CG2 4.13Å; V387-M503 HydrophobicContact CB-SD 4.36Å; V387-M503 HydrophobicContact CG1-SD 3.77Å; V387-M503 HydrophobicContact CG2-CE 4.3Å; V387-M503 HydrophobicContact CG2-SD 3.92Å; V387-F505 HydrophobicContact CG1-CE1 4.14Å; V387-F505 HydrophobicContact CG2-CE1 4.05Å; V387-F505 HydrophobicContact CG2-CZ 4.24Å
388	Q	98.8	Very high	97.5	Very high	41 Å²	41	43.6 Å²	43.6	19%	0.192	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.7	158.5	-81.3	168.8	-17.6	0	0	109.9	I347 V348 T349 V399 R400 L402	I347-Q388 HydrophobicContact CG2-CB 4.21Å; I347-Q388 HydrophobicContact CG2-CG 4.01Å; V348-Q388 CarbonylContact O-C 3.58Å; V348-Q388 VanDerWaalsContact O-CA 3.3Å; V348-Q388 WeakPolarHBondContact O-CA 3.38Å; T349-Q388 HydrophobicContact CG2-CG 4.35Å; T349-Q388 WeakPolarHBondContact OG1-CG 3.48Å; T349-Q388 PolarHBondContact OG1-NE2 2.95Å; Q388-V399 WeakPolarHBondContact O-CA 3.24Å; Q388-R400 HydrophobicContact CB-CB 4.18Å; Q388-R400 PolarHBondContact N-O 3.12Å; Q388-R400 PolarHBondContact O-N 3.32Å; Q388-L402 HydrophobicContact CG-CD1 3.79Å
389	L	98.7	Very high	97.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.9	164.3	-43.4	176.5	0	0	0	107.2	W323 I326 I347 V348 V387 W398 V399 M503 I527	W323-L389 HydrophobicContact CH2-CB 3.98Å; I326-L389 HydrophobicContact CD1-CD1 4.04Å; I347-L389 WeakPolarHBondContact CA-O 3.33Å; V348-L389 HydrophobicContact CG1-CB 3.74Å; V348-L389 HydrophobicContact CG1-CD1 4.04Å; V348-L389 HydrophobicContact CG1-CG 4.08Å; V348-L389 PolarHBondContact N-O 3.21Å; V348-L389 PolarHBondContact O-N 3.41Å; V387-L389 HydrophobicContact CG2-CD2 4.19Å; L389-W398 WeakPolarHBondContact CA-O 3.1Å; L389-V399 HydrophobicContact CD2-CG2 3.82Å; L389-M503 HydrophobicContact CD2-CE 3.8Å; L389-I527 HydrophobicContact CD1-CD1 3.63Å; L389-I527 HydrophobicContact CD1-CG1 4.02Å; L389-I527 HydrophobicContact CD1-CG2 4.32Å; L389-I527 HydrophobicContact CD2-CD1 4.21Å
390	E	98.6	Very high	97.5	Very high	31 Å²	31	41.3 Å²	41.3	15%	0.145	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.7	-176.5	174.9	178.8	175.2	0	0	109.9	P346 I347 K392 V397 W398 R400 Y434	P346-E390 CarbonylContact O-C 3.59Å; P346-E390 WeakPolarHBondContact O-CA 3.45Å; I347-E390 HydrophobicContact CD1-CG 4.37Å; I347-E390 HydrophobicContact CG1-CB 4.07Å; I347-E390 HydrophobicContact CG1-CG 3.84Å; E390-K392 VanDerWaalsContact CD-CE 3.43Å; E390-K392 HydrophobicContact CG-CG 4.2Å; E390-K392 WeakPolarHBondContact OE1-CE 3.25Å; E390-K392 IonicContact OE1-NZ 3.32Å; E390-V397 WeakPolarHBondContact O-CA 3.33Å; E390-W398 HydrophobicContact CB-CB 4.3Å; E390-W398 PolarHBondContact N-O 2.92Å; E390-W398 PolarHBondContact O-N 2.85Å; E390-R400 IonicContact OE2-NH2 3.14Å; E390-Y434 PolarHBondContact OE1-OH 2.78Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.45Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.28Å; E390-Y434 PolarHBondContact OE2-OH 2.85Å
391	C	98.1	Very high	97.5	Very high	24 Å²	24	40 Å²	40	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.5	173.6	-173.1	0	0	0	0	110	W323 P346 D396	W323-C391 HydrophobicContact CD2-CB 3.77Å; W323-C391 HydrophobicContact CE3-CB 3.81Å; W323-C391 HydrophobicContact CG-CB 4.34Å; W323-C391 HydrophobicContact CH2-CB 4.15Å; W323-C391 HydrophobicContact CZ2-CB 4.09Å; W323-C391 HydrophobicContact CZ3-CB 4.01Å; P346-C391 PolarHBondContact O-N 3.17Å; C391-D396 CarbonylContact C-O 3.56Å; C391-D396 WeakPolarHBondContact CA-O 3.21Å
392	K	95.3	Very high	97.5	Very high	73 Å²	73	35.8 Å²	35.8	32%	0.317	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.6	177.9	-66	-166.7	-178	176	0	112	E390 E394 G395 D396 W398 Y434	E390-K392 VanDerWaalsContact CD-CE 3.43Å; E390-K392 HydrophobicContact CG-CG 4.2Å; E390-K392 WeakPolarHBondContact OE1-CE 3.25Å; E390-K392 IonicContact OE1-NZ 3.32Å; K392-E394 PolarHBondContact O-N 3.42Å; K392-G395 PolarHBondContact O-N 3.26Å; K392-D396 HydrophobicContact CB-CB 4.47Å; K392-D396 PolarHBondContact N-O 2.87Å; K392-D396 PolarHBondContact O-N 3.39Å; K392-W398 HydrophobicContact CD-CG 4.5Å; K392-Y434 WeakPolarHBondContact CE-OH 3.31Å; K392-Y434 PolarHBondContact NZ-OH 2.91Å
393	G	92.1	Very high	97.5	Very high	69 Å²	69	32.1 Å²	32.1	71%	0.711	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	-130.4	-179.5	0	0	0	0	0	110.9
394	E	91.2	Very high	97.5	Very high	55 Å²	55	37.9 Å²	37.9	26%	0.257	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.7	-179.5	-165	-179.9	165.2	0	0	113.5	P313 I314 K392 L440 R531	P313-E394 WeakPolarHBondContact CA-OE2 3.34Å; I314-E394 WeakPolarHBondContact CG1-OE2 3.36Å; I314-E394 PolarHBondContact N-OE1 2.84Å; I314-E394 PolarHBondContact N-OE2 3.11Å; K392-E394 PolarHBondContact O-N 3.42Å; E394-L440 HydrophobicContact CB-CD2 3.86Å; E394-L440 HydrophobicContact CG-CD2 3.71Å; E394-R531 HydrophobicContact CG-CG 4.43Å; E394-R531 IonicContact OE1-CZ 3.2Å; E394-R531 IonicContact OE1-NE 3.01Å; E394-R531 PolarHBondContact OE1-NE 2.85Å; E394-R531 VanDerWaalsContact OE1-NE 3.13Å; E394-R531 IonicContact OE1-NH2 2.82Å; E394-R531 PolarHBondContact OE1-NH2 3.46Å
395	G	95.5	Very high	97.5	Very high	7 Å²	7	40.5 Å²	40.5	7%	0.072	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	161.2	22.8	-178.4	0	0	0	0	0	116.6	K392 F438	K392-G395 PolarHBondContact O-N 3.26Å; G395-F438 VanDerWaalsContact O-CD1 3.29Å; G395-F438 WeakPolarHBondContact O-CD1 3.1Å; G395-F438 WeakPolarHBondContact O-CE1 3.42Å
396	D	97.6	Very high	97.5	Very high	36 Å²	36	36 Å²	36	19%	0.193	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.5	173	-78.3	-2.6	0	0	0	109.6	C391 K392 K436 D439 L440	C391-D396 CarbonylContact C-O 3.56Å; C391-D396 WeakPolarHBondContact CA-O 3.21Å; K392-D396 HydrophobicContact CB-CB 4.47Å; K392-D396 PolarHBondContact N-O 2.87Å; K392-D396 PolarHBondContact O-N 3.39Å; D396-K436 VanDerWaalsContact CG-CE 3.48Å; D396-K436 VanDerWaalsContact CG-NZ 3.33Å; D396-K436 IonicContact OD1-NZ 3.52Å; D396-K436 VanDerWaalsContact OD2-CE 3.23Å; D396-K436 WeakPolarHBondContact OD2-CE 3.46Å; D396-K436 IonicContact OD2-NZ 2.67Å; D396-K436 PolarHBondContact OD2-NZ 2.85Å; D396-D439 VanDerWaalsContact OD1-CA 3.31Å; D396-D439 WeakPolarHBondContact OD1-CA 3.25Å; D396-L440 PolarHBondContact OD1-N 3.26Å
397	V	98.7	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.2	-175.3	-168.6	0	0	0	0	111.3	W323 E390 V437 F438 L501 L529	W323-V397 HydrophobicContact CH2-CG1 4.43Å; W323-V397 HydrophobicContact CZ3-CG1 4.3Å; W323-V397 HydrophobicContact CZ3-CG2 4.06Å; E390-V397 WeakPolarHBondContact O-CA 3.33Å; V397-V437 HydrophobicContact CB-CG2 4.22Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 WeakPolarHBondContact O-CG2 3.36Å; V397-V437 PolarHBondContact O-N 2.9Å; V397-F438 HydrophobicContact CB-CB 3.88Å; V397-F438 HydrophobicContact CG2-CB 4.11Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.41Å; V397-F438 PolarHBondContact N-O 3.46Å; V397-F438 PolarHBondContact O-N 3.47Å; V397-L501 HydrophobicContact CB-CD1 4.33Å; V397-L501 HydrophobicContact CG1-CD1 4.27Å; V397-L529 HydrophobicContact CG2-CD1 3.95Å; V397-L529 HydrophobicContact CG2-CD2 3.79Å
398	W	98.6	Very high	97.5	Very high	66 Å²	66	36.4 Å²	36.4	25%	0.25	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.4	174.6	-66.3	69.8	0	0	0	110.2	L389 E390 K392 Y434 I435 K436	L389-W398 WeakPolarHBondContact CA-O 3.1Å; E390-W398 HydrophobicContact CB-CB 4.3Å; E390-W398 PolarHBondContact N-O 2.92Å; E390-W398 PolarHBondContact O-N 2.85Å; K392-W398 HydrophobicContact CD-CG 4.5Å; W398-Y434 HydrophobicContact CB-CE2 3.79Å; W398-Y434 HydrophobicContact CD2-CE1 4.41Å; W398-Y434 HydrophobicContact CE3-CD1 4.08Å; W398-Y434 AromaticContact CE3-CE1 3.67Å; W398-Y434 HydrophobicContact CE3-CE1 3.67Å; W398-Y434 HydrophobicContact CE3-CE2 4.25Å; W398-Y434 AromaticContact CE3-CZ 3.8Å; W398-Y434 HydrophobicContact CG-CE2 4.48Å; W398-Y434 HydrophobicContact CZ3-CD1 4.35Å; W398-Y434 HydrophobicContact CZ3-CE1 4.08Å; W398-I435 CarbonylContact C-O 3.48Å; W398-I435 WeakPolarHBondContact CA-O 3.25Å; W398-I435 VanDerWaalsContact CE3-C 3.43Å; W398-K436 HydrophobicContact CD2-CB 3.88Å; W398-K436 HydrophobicContact CD2-CG 4.41Å; W398-K436 HydrophobicContact CE3-CB 4.09Å; W398-K436 VanDerWaalsContact CE3-N 3.27Å; W398-K436 HydrophobicContact CH2-CB 3.96Å; W398-K436 HydrophobicContact CZ2-CB 3.76Å; W398-K436 HydrophobicContact CZ2-CD 4.12Å; W398-K436 HydrophobicContact CZ2-CG 4.17Å; W398-K436 HydrophobicContact CZ3-CB 4.12Å
399	V	98.6	Very high	97.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130	174.3	173.5	0	0	0	0	109.1	V387 Q388 L389 I429 Y434 I435 V437 M503	V387-V399 HydrophobicContact CB-CG1 4.48Å; V387-V399 HydrophobicContact CG1-CG1 4.41Å; Q388-V399 WeakPolarHBondContact O-CA 3.24Å; L389-V399 HydrophobicContact CD2-CG2 3.82Å; V399-I429 HydrophobicContact CB-CD1 4.1Å; V399-I429 HydrophobicContact CG1-CD1 3.96Å; V399-Y434 WeakPolarHBondContact O-CA 3.46Å; V399-I435 PolarHBondContact N-O 3.49Å; V399-I435 PolarHBondContact O-N 3.25Å; V399-V437 HydrophobicContact CB-CG1 3.86Å; V399-V437 HydrophobicContact CG2-CB 4.22Å; V399-V437 HydrophobicContact CG2-CG1 3.55Å; V399-V437 HydrophobicContact CG2-CG2 3.62Å; V399-M503 HydrophobicContact CG1-CE 3.9Å; V399-M503 HydrophobicContact CG2-CE 3.78Å
400	R	98.5	Very high	97.5	Very high	82 Å²	82	36.3 Å²	36.3	31%	0.309	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.6	165.7	-168.4	177.3	-68.7	141.7	1.9	109.5	V387 Q388 E390 L402 A433 Y434	V387-R400 VanDerWaalsContact CA-O 3.29Å; V387-R400 WeakPolarHBondContact CA-O 3.17Å; Q388-R400 HydrophobicContact CB-CB 4.18Å; Q388-R400 PolarHBondContact N-O 3.12Å; Q388-R400 PolarHBondContact O-N 3.32Å; E390-R400 IonicContact OE2-NH2 3.14Å; R400-L402 HydrophobicContact CG-CD2 3.96Å; R400-L402 PolarHBondContact O-N 2.87Å; R400-A433 WeakPolarHBondContact CA-O 3.14Å; R400-Y434 HydrophobicContact CB-CD2 3.77Å; R400-Y434 HydrophobicContact CB-CE2 4.44Å; R400-Y434 HydrophobicContact CG-CD2 4.24Å
401	C	98.5	Very high	97.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.9	174.1	-168.1	0	0	0	0	110	H405 I429 Y430 S432 A433	C401-H405 PolarHBondContact SG-O 3.06Å; C401-I429 HydrophobicContact CB-CG2 4.08Å; C401-Y430 VanDerWaalsContact CB-O 3.25Å; C401-Y430 WeakPolarHBondContact CB-O 3.36Å; C401-S432 WeakPolarHBondContact O-CA 3.02Å; C401-S432 PolarHBondContact O-N 3.45Å; C401-A433 PolarHBondContact N-O 3.08Å
402	L	98.6	Very high	97.3	Very high	52 Å²	52	36.4 Å²	36.4	27%	0.272	19%	0.191	S	C	.	.			trans	-94.2	-21	177.5	-61.1	-176.6	0	0	0	112.6	T349 K385 G386 Q388 R400	T349-L402 HydrophobicContact CG2-CD1 4.44Å; K385-L402 HydrophobicContact CB-CB 3.75Å; G386-L402 CarbonylContact O-C 3.58Å; G386-L402 PolarHBondContact O-N 3.41Å; Q388-L402 HydrophobicContact CG-CD1 3.79Å; R400-L402 HydrophobicContact CG-CD2 3.96Å; R400-L402 PolarHBondContact O-N 2.87Å
403	S	98.4	Very high	97.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	-65	148.4	175.2	-171.3	0	0	0	0	111.8	H382 I383 G386 H405 P431	H382-S403 PolarHBondContact O-OG 2.8Å; I383-S403 VanDerWaalsContact O-CB 3.26Å; I383-S403 WeakPolarHBondContact O-CB 3.44Å; I383-S403 PolarHBondContact O-OG 2.91Å; G386-S403 WeakPolarHBondContact O-CB 3.49Å; G386-S403 PolarHBondContact O-N 3.47Å; S403-H405 WeakPolarHBondContact CB-O 3.25Å; S403-H405 PolarHBondContact O-N 2.86Å; S403-H405 PolarHBondContact OG-N 3.12Å; S403-P431 WeakPolarHBondContact O-CB 3.14Å
404	D	98.2	Very high	97.5	Very high	123 Å²	123	31.6 Å²	31.6	66%	0.658	15%	0.15	S	C	*	.	S	Bend	trans	-71.1	-8.2	169.9	-50.8	-62.7	0	0	0	112	P431	D404-P431 VanDerWaalsContact O-CG 3.28Å; D404-P431 WeakPolarHBondContact O-CG 3.46Å
405	H	98.4	Very high	97.6	Very high	76 Å²	76	29 Å²	29	35%	0.352	14%	0.137	S	C	.	.	S	Bend	trans	-110.8	144.7	173.5	-74.4	89.8	0	0	0	112.6	H382 C401 S403 V506	H382-H405 AromaticContact CD2-CE1 3.33Å; H382-H405 PolarHBondContact CD2-CE1 2.85Å; H382-H405 AromaticContact CD2-ND1 3.84Å; H382-H405 AromaticContact CG-CE1 3.9Å; C401-H405 PolarHBondContact SG-O 3.06Å; S403-H405 WeakPolarHBondContact CB-O 3.25Å; S403-H405 PolarHBondContact O-N 2.86Å; S403-H405 PolarHBondContact OG-N 3.12Å; H405-V506 HydrophobicContact CB-CG2 4.3Å
406	A	98.3	Very high	97.3	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	16%	0.156	C	C	.	.			trans	-62.1	148.3	173.7	0	0	0	0	0	112.2	K428 I429 V506	A406-K428 HydrophobicContact CB-CD 4.4Å; A406-K428 HydrophobicContact CB-CG 3.92Å; A406-I429 CarbonylContact C-O 3.53Å; A406-I429 VanDerWaalsContact CA-O 3.23Å; A406-I429 WeakPolarHBondContact CA-O 3.13Å; A406-I429 VanDerWaalsContact CB-O 3.31Å; A406-I429 WeakPolarHBondContact CB-O 3.5Å; A406-V506 PolarHBondContact O-N 3.34Å
407	V	98.7	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	155.8	171	-60.4	0	0	0	0	110.6	V387 K428 I429 M503 S504 F505	V387-V407 HydrophobicContact CG1-CB 4.5Å; V387-V407 HydrophobicContact CG1-CG1 3.76Å; V387-V407 HydrophobicContact CG1-CG2 4.13Å; V407-K428 CarbonylContact O-C 3.58Å; V407-K428 WeakPolarHBondContact O-CA 3.24Å; V407-I429 HydrophobicContact CG2-CB 3.85Å; V407-I429 HydrophobicContact CG2-CG2 4.44Å; V407-I429 PolarHBondContact N-O 3.08Å; V407-I429 PolarHBondContact O-N 2.84Å; V407-M503 HydrophobicContact CB-CG 3.95Å; V407-M503 HydrophobicContact CB-SD 3.86Å; V407-M503 HydrophobicContact CG1-SD 4.19Å; V407-M503 HydrophobicContact CG2-CG 4.25Å; V407-M503 HydrophobicContact CG2-SD 3.76Å; V407-S504 WeakPolarHBondContact CA-O 3.38Å; V407-F505 HydrophobicContact CG1-CD1 3.83Å; V407-F505 HydrophobicContact CG1-CE1 4.36Å
408	F	98.6	Very high	96.3	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.039	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.6	-172.6	-63.3	-93.8	0	0	0	109.2	L288 V426 K428 M503 S504 K507 G508 W509 Y513	L288-F408 HydrophobicContact CD1-CD1 4.37Å; L288-F408 HydrophobicContact CD1-CE1 4.31Å; F408-V426 HydrophobicContact CB-CG1 3.86Å; F408-V426 HydrophobicContact CD1-CG1 4.06Å; F408-V426 HydrophobicContact CG-CG1 4.46Å; F408-K428 HydrophobicContact CD1-CB 3.98Å; F408-K428 HydrophobicContact CD1-CG 4.07Å; F408-K428 HydrophobicContact CE1-CB 3.89Å; F408-K428 HydrophobicContact CE1-CD 3.71Å; F408-K428 HydrophobicContact CE1-CG 3.59Å; F408-K428 HydrophobicContact CZ-CD 4.01Å; F408-K428 HydrophobicContact CZ-CG 3.99Å; F408-M503 CarbonylContact O-C 3.51Å; F408-M503 VanDerWaalsContact O-CA 3.3Å; F408-M503 WeakPolarHBondContact O-CA 3.27Å; F408-S504 PolarHBondContact N-O 2.87Å; F408-S504 PolarHBondContact O-N 2.75Å; F408-K507 VanDerWaalsContact CD2-C 3.47Å; F408-G508 VanDerWaalsContact CD2-N 3.3Å; F408-W509 HydrophobicContact CB-CE3 4.22Å; F408-W509 HydrophobicContact CB-CH2 4.42Å; F408-W509 HydrophobicContact CB-CZ3 3.65Å; F408-W509 WeakPolarHBondContact O-CH2 3.47Å; F408-W509 VanDerWaalsContact O-CZ3 3.32Å; F408-W509 WeakPolarHBondContact O-CZ3 3.45Å; F408-Y513 HydrophobicContact CE1-CE2 4.23Å; F408-Y513 AromaticContact CE1-CZ 3.85Å; F408-Y513 VanDerWaalsContact CE1-OH 3.31Å; F408-Y513 WeakPolarHBondContact CE1-OH 3.45Å
409	V	98.5	Very high	95.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.3	-170	175.4	0	0	0	0	111.4	L414 H427 I429 R502 M503	V409-L414 HydrophobicContact CG1-CD1 4.41Å; V409-H427 HydrophobicContact CB-CB 4.36Å; V409-H427 PolarHBondContact N-O 2.69Å; V409-H427 PolarHBondContact O-N 2.96Å; V409-I429 HydrophobicContact CB-CD1 4.36Å; V409-I429 HydrophobicContact CG2-CD1 3.62Å; V409-I429 HydrophobicContact CG2-CG1 4.33Å; V409-R502 CarbonylContact C-O 3.59Å; V409-R502 WeakPolarHBondContact CA-O 3.19Å; V409-M503 HydrophobicContact CG2-CB 4.22Å; V409-M503 HydrophobicContact CG2-CE 3.98Å; V409-M503 HydrophobicContact CG2-CG 3.8Å; V409-M503 HydrophobicContact CG2-SD 4.34Å
410	Q	97.8	Very high	95	Very high	37 Å²	37	40.4 Å²	40.4	17%	0.173	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.2	159.8	-175.6	167.9	52.8	0	0	108.2	R502 W509	Q410-R502 HydrophobicContact CB-CB 4.15Å; Q410-R502 PolarHBondContact N-O 3.17Å; Q410-R502 PolarHBondContact O-N 3.47Å; Q410-W509 HydrophobicContact CB-CH2 4.35Å; Q410-W509 HydrophobicContact CB-CZ2 4.06Å
411	S	97.4	Very high	94	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	21%	0.214	C	C	.	.			trans	-155.3	119.6	176.2	168.4	0	0	0	0	111.1	Y413 L414 D415 V437	S411-Y413 PolarHBondContact O-N 3.45Å; S411-Y413 WeakPolarHBondContact OG-CB 3.26Å; S411-Y413 PolarHBondContact OG-N 3.19Å; S411-L414 PolarHBondContact O-N 3.2Å; S411-L414 PolarHBondContact OG-N 2.99Å; S411-D415 PolarHBondContact O-N 3.38Å; S411-V437 PolarHBondContact OG-O 2.9Å
412	Y	95	Very high	93.3	Very high	56 Å²	56	43.7 Å²	43.7	22%	0.22	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-29.1	172.9	-68.5	-74.2	0	0	0	113.7	D415 R416 P422 R497 L498	Y412-D415 WeakPolarHBondContact CA-OD2 3.42Å; Y412-R416 WeakPolarHBondContact O-CB 3.43Å; Y412-R416 PolarHBondContact O-N 2.82Å; Y412-P422 HydrophobicContact CD1-CB 3.61Å; Y412-P422 HydrophobicContact CE1-CB 3.64Å; Y412-R497 HydrophobicContact CE2-CB 3.81Å; Y412-R497 WeakPolarHBondContact CE2-O 3.33Å; Y412-L498 HydrophobicContact CD1-CD2 4.39Å; Y412-L498 HydrophobicContact CD2-CD2 4.11Å; Y412-L498 HydrophobicContact CG-CD2 3.96Å
413	Y	96.6	Very high	92.6	Very high	35 Å²	35	42.3 Å²	42.3	14%	0.137	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-52.2	171.8	169.6	-86.3	0	0	0	109.9	S411 R416 E417 K436 D439	S411-Y413 PolarHBondContact O-N 3.45Å; S411-Y413 WeakPolarHBondContact OG-CB 3.26Å; S411-Y413 PolarHBondContact OG-N 3.19Å; Y413-R416 PolarHBondContact O-N 3.41Å; Y413-E417 HydrophobicContact CD1-CG 4.19Å; Y413-E417 HydrophobicContact CE1-CG 3.67Å; Y413-E417 HydrophobicContact CE2-CG 4.21Å; Y413-E417 WeakPolarHBondContact O-CG 3.38Å; Y413-E417 PolarHBondContact O-N 3.1Å; Y413-K436 HydrophobicContact CE1-CB 4.36Å; Y413-K436 HydrophobicContact CE1-CG 4.26Å; Y413-K436 WeakPolarHBondContact CE1-O 3.44Å; Y413-K436 HydrophobicContact CE2-CD 4.37Å; Y413-D439 HydrophobicContact CD2-CB 3.46Å; Y413-D439 VanDerWaalsContact CD2-CB 3.46Å; Y413-D439 HydrophobicContact CE2-CB 3.43Å; Y413-D439 VanDerWaalsContact CE2-CB 3.43Å
414	L	96.4	Very high	92	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-34.6	-177.8	-66.1	177.9	0	0	0	112.7	V409 S411 R416 E417 A418 H427 I435 K436 V437	V409-L414 HydrophobicContact CG1-CD1 4.41Å; S411-L414 PolarHBondContact O-N 3.2Å; S411-L414 PolarHBondContact OG-N 2.99Å; L414-R416 VanDerWaalsContact C-N 3.26Å; L414-R416 PolarHBondContact O-N 2.81Å; L414-E417 PolarHBondContact O-N 3.04Å; L414-A418 VanDerWaalsContact O-CB 3.31Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.43Å; L414-H427 VanDerWaalsContact CB-CE1 3.41Å; L414-H427 WeakPolarHBondContact CB-CE1 3.21Å; L414-H427 WeakPolarHBondContact CB-ND1 3.18Å; L414-H427 HydrophobicContact CD1-CB 3.64Å; L414-H427 PolarHBondContact O-CE1 2.76Å; L414-I435 HydrophobicContact CD2-CD1 4.13Å; L414-K436 WeakPolarHBondContact CD2-O 3.26Å; L414-V437 HydrophobicContact CD1-CB 4.36Å; L414-V437 HydrophobicContact CD1-CG1 4.13Å
415	D	91.7	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.7	-51.1	172.1	-68.4	-44.4	0	0	0	109.2	S411 Y412 A418 G419 R420 G423 A425 H427	S411-D415 PolarHBondContact O-N 3.38Å; Y412-D415 WeakPolarHBondContact CA-OD2 3.42Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.85Å; D415-G419 PolarHBondContact O-N 3.36Å; D415-G419 VanDerWaalsContact O-N 3.16Å; D415-R420 HydrophobicContact CB-CB 4.29Å; D415-R420 WeakPolarHBondContact O-CB 3.43Å; D415-R420 PolarHBondContact O-N 3.05Å; D415-G423 WeakPolarHBondContact OD2-CA 3.32Å; D415-G423 PolarHBondContact OD2-N 2.76Å; D415-A425 WeakPolarHBondContact OD1-CB 3.48Å; D415-A425 PolarHBondContact OD1-N 2.84Å; D415-H427 PolarHBondContact N-NE2 3.17Å; D415-H427 IonicContact OD1-NE2 3.38Å; D415-H427 PolarHBondContact OD1-NE2 2.91Å
416	R	89	Confident	91.4	Very high	121 Å²	121	36 Å²	36	46%	0.457	21%	0.211	S	C	.	.	H	α-helix	trans	-67.2	-43.7	-177.8	-163.7	-157.6	75.5	163	6	112.9	Y412 Y413 L414 A418 G419 Q442	Y412-R416 WeakPolarHBondContact O-CB 3.43Å; Y412-R416 PolarHBondContact O-N 2.82Å; Y413-R416 PolarHBondContact O-N 3.41Å; L414-R416 VanDerWaalsContact C-N 3.26Å; L414-R416 PolarHBondContact O-N 2.81Å; R416-A418 PolarHBondContact O-N 2.9Å; R416-G419 PolarHBondContact O-N 3.01Å; R416-Q442 VanDerWaalsContact NH1-CD 3.29Å
417	E	89.7	Confident	91.4	Very high	101 Å²	101	35.4 Å²	35.4	47%	0.472	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-27.8	175.4	-64.6	-54.4	102	0	0	112.2	Y413 L414	Y413-E417 HydrophobicContact CD1-CG 4.19Å; Y413-E417 HydrophobicContact CE1-CG 3.67Å; Y413-E417 HydrophobicContact CE2-CG 4.21Å; Y413-E417 WeakPolarHBondContact O-CG 3.38Å; Y413-E417 PolarHBondContact O-N 3.1Å; L414-E417 PolarHBondContact O-N 3.04Å
418	A	87.5	Confident	91.4	Very high	22 Å²	22	37.3 Å²	37.3	18%	0.182	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.3	173.7	0	0	0	0	0	114.1	Q289 L414 D415 R416 R420	Q289-A418 HydrophobicContact CG-CB 4.1Å; L414-A418 VanDerWaalsContact O-CB 3.31Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.43Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.85Å; R416-A418 PolarHBondContact O-N 2.9Å; A418-R420 VanDerWaalsContact C-N 3.28Å; A418-R420 HydrophobicContact CB-CG 3.97Å; A418-R420 PolarHBondContact O-N 3.35Å
419	G	85	Confident	91.4	Very high	70 Å²	70	36.9 Å²	36.9	72%	0.722	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	23.1	-177.6	0	0	0	0	0	114.6	D415 R416	D415-G419 PolarHBondContact O-N 3.36Å; D415-G419 VanDerWaalsContact O-N 3.16Å; R416-G419 PolarHBondContact O-N 3.01Å
420	R	84.1	Confident	91.4	Very high	38 Å²	38	40.1 Å²	40.1	14%	0.143	22%	0.224	C	C	.	.			trans	-90.4	160.9	-179.9	-59.3	-65.4	-61.2	-167.5	-0.9	111.6	N285 G286 Q289 D415 A418 D424 A425	N285-R420 PolarHBondContact O-NH1 2.75Å; N285-R420 PolarHBondContact OD1-NH1 2.75Å; N285-R420 VanDerWaalsContact OD1-NH1 3.16Å; G286-R420 PolarHBondContact O-NH1 3.06Å; Q289-R420 HydrophobicContact CG-CG 4.48Å; D415-R420 HydrophobicContact CB-CB 4.29Å; D415-R420 WeakPolarHBondContact O-CB 3.43Å; D415-R420 PolarHBondContact O-N 3.05Å; A418-R420 VanDerWaalsContact C-N 3.28Å; A418-R420 HydrophobicContact CB-CG 3.97Å; A418-R420 PolarHBondContact O-N 3.35Å; R420-D424 IonicContact CZ-OD2 3.99Å; R420-D424 IonicContact NE-OD2 3.2Å; R420-D424 PolarHBondContact NH2-O 2.87Å; R420-D424 IonicContact NH2-OD2 2.74Å; R420-D424 PolarHBondContact NH2-OD2 2.88Å; R420-A425 HydrophobicContact CB-CB 4.22Å; R420-A425 HydrophobicContact CG-CB 3.87Å
421	A	78.3	Confident	91.4	Very high	58 Å²	58	40.2 Å²	40.2	48%	0.479	23%	0.228	S	C	.	.			trans	-68.1	146.3	168.7	0	0	0	0	0	110.3	G423 D424	A421-G423 PolarHBondContact O-N 2.86Å; A421-G423 VanDerWaalsContact O-N 3.12Å; A421-D424 HydrophobicContact CB-CB 3.92Å; A421-D424 WeakPolarHBondContact O-CB 3.43Å; A421-D424 PolarHBondContact O-N 3.27Å
422	P	83.1	Confident	91.4	Very high	93 Å²	93	44.8 Å²	44.8	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	115.9	177.9	-31.2	38.2	0	0	0	113.1	Y412	Y412-P422 HydrophobicContact CD1-CB 3.61Å; Y412-P422 HydrophobicContact CE1-CB 3.64Å
423	G	84.8	Confident	91.5	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	1.7	179.6	0	0	0	0	0	116.4	D415 A421	D415-G423 WeakPolarHBondContact OD2-CA 3.32Å; D415-G423 PolarHBondContact OD2-N 2.76Å; A421-G423 PolarHBondContact O-N 2.86Å; A421-G423 VanDerWaalsContact O-N 3.12Å
424	D	83.9	Confident	91.5	Very high	67 Å²	67	44.3 Å²	44.3	36%	0.358	26%	0.259	S	S	.	.			trans	-94.3	20	-178.6	-175.5	67.4	0	0	0	113.4	H287 R420 A421	H287-D424 PolarHBondContact CD2-O 2.55Å; H287-D424 VanDerWaalsContact CD2-O 3.31Å; H287-D424 IonicContact CD2-OD1 2.8Å; R420-D424 IonicContact CZ-OD2 3.99Å; R420-D424 IonicContact NE-OD2 3.2Å; R420-D424 PolarHBondContact NH2-O 2.87Å; R420-D424 IonicContact NH2-OD2 2.74Å; R420-D424 PolarHBondContact NH2-OD2 2.88Å; A421-D424 HydrophobicContact CB-CB 3.92Å; A421-D424 WeakPolarHBondContact O-CB 3.43Å; A421-D424 PolarHBondContact O-N 3.27Å
425	A	88.4	Confident	91.6	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	27%	0.267	C	S	.	.			trans	-139.3	161.1	169.7	0	0	0	0	0	114	H287 Q289 D415 R420	H287-A425 CarbonylContact O-C 3.56Å; H287-A425 VanDerWaalsContact O-CA 3.23Å; H287-A425 WeakPolarHBondContact O-CA 3.39Å; H287-A425 WeakPolarHBondContact O-CB 3.44Å; Q289-A425 HydrophobicContact CG-CB 4.05Å; D415-A425 WeakPolarHBondContact OD1-CB 3.48Å; D415-A425 PolarHBondContact OD1-N 2.84Å; R420-A425 HydrophobicContact CB-CB 4.22Å; R420-A425 HydrophobicContact CG-CB 3.87Å
426	V	96.9	Very high	91.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	170.5	178.9	0	0	0	0	107.9	H287 Q289 F408 W509	H287-V426 PolarHBondContact O-N 3.11Å; Q289-V426 PolarHBondContact N-O 2.83Å; F408-V426 HydrophobicContact CB-CG1 3.86Å; F408-V426 HydrophobicContact CD1-CG1 4.06Å; F408-V426 HydrophobicContact CG-CG1 4.46Å; V426-W509 HydrophobicContact CB-CZ2 4.46Å; V426-W509 HydrophobicContact CG1-CD2 4.37Å; V426-W509 HydrophobicContact CG1-CE3 4.26Å; V426-W509 HydrophobicContact CG1-CH2 3.94Å; V426-W509 HydrophobicContact CG1-CZ2 4.04Å; V426-W509 HydrophobicContact CG1-CZ3 4.06Å; V426-W509 HydrophobicContact CG2-CD2 4.1Å; V426-W509 VanDerWaalsContact CG2-CE2 3.5Å; V426-W509 HydrophobicContact CG2-CG 4.44Å; V426-W509 HydrophobicContact CG2-CH2 4.42Å; V426-W509 HydrophobicContact CG2-CZ2 3.68Å; V426-W509 WeakPolarHBondContact CG2-O 3.41Å
427	H	97.9	Very high	92.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	104.3	-171.9	-64.1	-95.6	0	0	0	109.8	H291 V409 L414 D415 I429	H291-H427 AromaticContact CE1-ND1 3.79Å; H291-H427 AromaticContact NE2-CG 3.81Å; H291-H427 AromaticContact NE2-ND1 3.09Å; H291-H427 PolarHBondContact NE2-ND1 2.84Å; V409-H427 HydrophobicContact CB-CB 4.36Å; V409-H427 PolarHBondContact N-O 2.69Å; V409-H427 PolarHBondContact O-N 2.96Å; L414-H427 VanDerWaalsContact CB-CE1 3.41Å; L414-H427 WeakPolarHBondContact CB-CE1 3.21Å; L414-H427 WeakPolarHBondContact CB-ND1 3.18Å; L414-H427 HydrophobicContact CD1-CB 3.64Å; L414-H427 PolarHBondContact O-CE1 2.76Å; D415-H427 PolarHBondContact N-NE2 3.17Å; D415-H427 IonicContact OD1-NE2 3.38Å; D415-H427 PolarHBondContact OD1-NE2 2.91Å; H427-I429 PolarHBondContact O-N 2.89Å
428	K	98.4	Very high	92.8	Very high	40 Å²	40	37.2 Å²	37.2	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	104.7	177.9	-175.7	-177.2	-179.8	-171.3	0	110.2	L288 Q289 H291 A406 V407 F408 Y430	L288-K428 HydrophobicContact CD1-CB 3.89Å; Q289-K428 PolarHBondContact O-N 2.94Å; H291-K428 PolarHBondContact N-O 2.96Å; A406-K428 HydrophobicContact CB-CD 4.4Å; A406-K428 HydrophobicContact CB-CG 3.92Å; V407-K428 CarbonylContact O-C 3.58Å; V407-K428 WeakPolarHBondContact O-CA 3.24Å; F408-K428 HydrophobicContact CD1-CB 3.98Å; F408-K428 HydrophobicContact CD1-CG 4.07Å; F408-K428 HydrophobicContact CE1-CB 3.89Å; F408-K428 HydrophobicContact CE1-CD 3.71Å; F408-K428 HydrophobicContact CE1-CG 3.59Å; F408-K428 HydrophobicContact CZ-CD 4.01Å; F408-K428 HydrophobicContact CZ-CG 3.99Å; K428-Y430 HydrophobicContact CB-CE2 4.49Å; K428-Y430 HydrophobicContact CD-CE2 3.74Å; K428-Y430 HydrophobicContact CG-CD2 4.27Å; K428-Y430 HydrophobicContact CG-CE2 3.91Å; K428-Y430 PolarHBondContact NZ-OH 3.38Å
429	I	98.2	Very high	93.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.2	174.4	-55.9	176.6	0	0	0	108.1	H291 V399 C401 A406 V407 V409 H427 A433 I435 V437	H291-I429 HydrophobicContact CB-CG1 4.36Å; V399-I429 HydrophobicContact CB-CD1 4.1Å; V399-I429 HydrophobicContact CG1-CD1 3.96Å; C401-I429 HydrophobicContact CB-CG2 4.08Å; A406-I429 CarbonylContact C-O 3.53Å; A406-I429 VanDerWaalsContact CA-O 3.23Å; A406-I429 WeakPolarHBondContact CA-O 3.13Å; A406-I429 VanDerWaalsContact CB-O 3.31Å; A406-I429 WeakPolarHBondContact CB-O 3.5Å; V407-I429 HydrophobicContact CG2-CB 3.85Å; V407-I429 HydrophobicContact CG2-CG2 4.44Å; V407-I429 PolarHBondContact N-O 3.08Å; V407-I429 PolarHBondContact O-N 2.84Å; V409-I429 HydrophobicContact CB-CD1 4.36Å; V409-I429 HydrophobicContact CG2-CD1 3.62Å; V409-I429 HydrophobicContact CG2-CG1 4.33Å; H427-I429 PolarHBondContact O-N 2.89Å; I429-A433 HydrophobicContact CG2-CB 3.8Å; I429-I435 HydrophobicContact CD1-CG2 3.64Å; I429-I435 HydrophobicContact CG1-CG2 4.06Å; I429-I435 HydrophobicContact CG2-CG2 4.26Å; I429-V437 HydrophobicContact CD1-CG1 4.05Å
430	Y	98.3	Very high	93.8	Very high	69 Å²	69	34.5 Å²	34.5	27%	0.271	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-81.1	159.3	-176.8	-80	-109.2	0	0	0	112.2	H290 H291 C401 K428 S432 A433	H290-Y430 HydrophobicContact CB-CE2 4.24Å; H290-Y430 PolarHBondContact CE1-OH 3.41Å; H290-Y430 AromaticContact ND1-CE2 3.61Å; H290-Y430 AromaticContact ND1-CZ 3.69Å; H290-Y430 PolarHBondContact ND1-OH 3.23Å; H291-Y430 PolarHBondContact O-N 3.12Å; C401-Y430 VanDerWaalsContact CB-O 3.25Å; C401-Y430 WeakPolarHBondContact CB-O 3.36Å; K428-Y430 HydrophobicContact CB-CE2 4.49Å; K428-Y430 HydrophobicContact CD-CE2 3.74Å; K428-Y430 HydrophobicContact CG-CD2 4.27Å; K428-Y430 HydrophobicContact CG-CE2 3.91Å; K428-Y430 PolarHBondContact NZ-OH 3.38Å; Y430-S432 PolarHBondContact O-N 2.96Å; Y430-A433 WeakPolarHBondContact O-CB 3.34Å; Y430-A433 PolarHBondContact O-N 3.16Å
431	P	98.3	Very high	94.3	Very high	39 Å²	39	36.2 Å²	36.2	25%	0.253	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	139.8	170.9	-30.5	37.7	0	0	0	112.6	S403 D404 A433	S403-P431 WeakPolarHBondContact O-CB 3.14Å; D404-P431 VanDerWaalsContact O-CG 3.28Å; D404-P431 WeakPolarHBondContact O-CG 3.46Å; P431-A433 PolarHBondContact O-N 2.97Å; P431-A433 VanDerWaalsContact O-N 3.07Å
432	S	97	Very high	94.9	Very high	99 Å²	99	34.3 Å²	34.3	69%	0.692	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	-1.3	-175.1	-53.5	0	0	0	0	116.4	C401 Y430	C401-S432 WeakPolarHBondContact O-CA 3.02Å; C401-S432 PolarHBondContact O-N 3.45Å; Y430-S432 PolarHBondContact O-N 2.96Å
433	A	97.6	Very high	95.5	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.159	C	C	.	.			trans	-71.3	146.6	175.4	0	0	0	0	0	111.3	P293 R400 C401 I429 Y430 P431	P293-A433 HydrophobicContact CB-CB 4.23Å; R400-A433 WeakPolarHBondContact CA-O 3.14Å; C401-A433 PolarHBondContact N-O 3.08Å; I429-A433 HydrophobicContact CG2-CB 3.8Å; Y430-A433 WeakPolarHBondContact O-CB 3.34Å; Y430-A433 PolarHBondContact O-N 3.16Å; P431-A433 PolarHBondContact O-N 2.97Å; P431-A433 VanDerWaalsContact O-N 3.07Å
434	Y	97.8	Very high	96	Very high	78 Å²	78	30.6 Å²	30.6	31%	0.306	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	114.4	179.2	177.7	-117.3	0	0	0	109.3	E390 K392 W398 V399 R400	E390-Y434 PolarHBondContact OE1-OH 2.78Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.45Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.28Å; E390-Y434 PolarHBondContact OE2-OH 2.85Å; K392-Y434 WeakPolarHBondContact CE-OH 3.31Å; K392-Y434 PolarHBondContact NZ-OH 2.91Å; W398-Y434 HydrophobicContact CB-CE2 3.79Å; W398-Y434 HydrophobicContact CD2-CE1 4.41Å; W398-Y434 HydrophobicContact CE3-CD1 4.08Å; W398-Y434 AromaticContact CE3-CE1 3.67Å; W398-Y434 HydrophobicContact CE3-CE1 3.67Å; W398-Y434 HydrophobicContact CE3-CE2 4.25Å; W398-Y434 AromaticContact CE3-CZ 3.8Å; W398-Y434 HydrophobicContact CG-CE2 4.48Å; W398-Y434 HydrophobicContact CZ3-CD1 4.35Å; W398-Y434 HydrophobicContact CZ3-CE1 4.08Å; V399-Y434 WeakPolarHBondContact O-CA 3.46Å; R400-Y434 HydrophobicContact CB-CD2 3.77Å; R400-Y434 HydrophobicContact CB-CE2 4.44Å; R400-Y434 HydrophobicContact CG-CD2 4.24Å
435	I	97.8	Very high	96.5	Very high	39 Å²	39	34 Å²	34	20%	0.2	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145	-167.3	-170.7	170.1	0	0	0	111.8	H291 W398 V399 L414 I429 V437	H291-I435 HydrophobicContact CB-CD1 4.03Å; H291-I435 WeakPolarHBondContact ND1-CD1 3.29Å; W398-I435 CarbonylContact C-O 3.48Å; W398-I435 WeakPolarHBondContact CA-O 3.25Å; W398-I435 VanDerWaalsContact CE3-C 3.43Å; V399-I435 PolarHBondContact N-O 3.49Å; V399-I435 PolarHBondContact O-N 3.25Å; L414-I435 HydrophobicContact CD2-CD1 4.13Å; I429-I435 HydrophobicContact CD1-CG2 3.64Å; I429-I435 HydrophobicContact CG1-CG2 4.06Å; I429-I435 HydrophobicContact CG2-CG2 4.26Å; I435-V437 HydrophobicContact CG2-CG1 4.07Å; I435-V437 PolarHBondContact O-N 2.76Å
436	K	97.9	Very high	96.5	Very high	31 Å²	31	36.8 Å²	36.8	14%	0.135	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.3	170.2	-169.4	175.7	-173.1	177.3	0	109.1	D396 W398 Y413 L414 F438 D439	D396-K436 VanDerWaalsContact CG-CE 3.48Å; D396-K436 VanDerWaalsContact CG-NZ 3.33Å; D396-K436 IonicContact OD1-NZ 3.52Å; D396-K436 VanDerWaalsContact OD2-CE 3.23Å; D396-K436 WeakPolarHBondContact OD2-CE 3.46Å; D396-K436 IonicContact OD2-NZ 2.67Å; D396-K436 PolarHBondContact OD2-NZ 2.85Å; W398-K436 HydrophobicContact CD2-CB 3.88Å; W398-K436 HydrophobicContact CD2-CG 4.41Å; W398-K436 HydrophobicContact CE3-CB 4.09Å; W398-K436 VanDerWaalsContact CE3-N 3.27Å; W398-K436 HydrophobicContact CH2-CB 3.96Å; W398-K436 HydrophobicContact CZ2-CB 3.76Å; W398-K436 HydrophobicContact CZ2-CD 4.12Å; W398-K436 HydrophobicContact CZ2-CG 4.17Å; W398-K436 HydrophobicContact CZ3-CB 4.12Å; Y413-K436 HydrophobicContact CE1-CB 4.36Å; Y413-K436 HydrophobicContact CE1-CG 4.26Å; Y413-K436 WeakPolarHBondContact CE1-O 3.44Å; Y413-K436 HydrophobicContact CE2-CD 4.37Å; L414-K436 WeakPolarHBondContact CD2-O 3.26Å; K436-F438 WeakPolarHBondContact CE-O 3.46Å; K436-F438 WeakPolarHBondContact CG-O 3.13Å; K436-D439 IonicContact NZ-OD2 2.81Å; K436-D439 PolarHBondContact NZ-OD2 3.12Å
437	V	98.5	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-6.2	-180	-55.3	0	0	0	0	113.1	V397 V399 S411 L414 I429 I435 L501	V397-V437 HydrophobicContact CB-CG2 4.22Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 WeakPolarHBondContact O-CG2 3.36Å; V397-V437 PolarHBondContact O-N 2.9Å; V399-V437 HydrophobicContact CB-CG1 3.86Å; V399-V437 HydrophobicContact CG2-CB 4.22Å; V399-V437 HydrophobicContact CG2-CG1 3.55Å; V399-V437 HydrophobicContact CG2-CG2 3.62Å; S411-V437 PolarHBondContact OG-O 2.9Å; L414-V437 HydrophobicContact CD1-CB 4.36Å; L414-V437 HydrophobicContact CD1-CG1 4.13Å; I429-V437 HydrophobicContact CD1-CG1 4.05Å; I435-V437 HydrophobicContact CG2-CG1 4.07Å; I435-V437 PolarHBondContact O-N 2.76Å; V437-L501 HydrophobicContact CG2-CD1 3.65Å; V437-L501 HydrophobicContact CG2-CD2 4.37Å
438	F	98.6	Very high	96.1	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	145.5	179.7	-177.8	-95.5	0	0	0	111	G395 V397 K436 L440 C443 L498 L501 L529 A532	G395-F438 VanDerWaalsContact O-CD1 3.29Å; G395-F438 WeakPolarHBondContact O-CD1 3.1Å; G395-F438 WeakPolarHBondContact O-CE1 3.42Å; V397-F438 HydrophobicContact CB-CB 3.88Å; V397-F438 HydrophobicContact CG2-CB 4.11Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.41Å; V397-F438 PolarHBondContact N-O 3.46Å; V397-F438 PolarHBondContact O-N 3.47Å; K436-F438 WeakPolarHBondContact CE-O 3.46Å; K436-F438 WeakPolarHBondContact CG-O 3.13Å; F438-L440 HydrophobicContact CE1-CB 4.03Å; F438-L440 HydrophobicContact CE1-CD1 3.8Å; F438-L440 HydrophobicContact CZ-CD1 4.16Å; F438-C443 HydrophobicContact CE1-CB 4.36Å; F438-C443 HydrophobicContact CE2-CB 3.64Å; F438-C443 VanDerWaalsContact CE2-SG 3.52Å; F438-C443 HydrophobicContact CZ-CB 3.42Å; F438-C443 VanDerWaalsContact CZ-CB 3.42Å; F438-L498 WeakPolarHBondContact CE2-O 3.23Å; F438-L501 HydrophobicContact CB-CD1 4.28Å; F438-L501 HydrophobicContact CB-CD2 4.5Å; F438-L529 HydrophobicContact CB-CD1 4.2Å; F438-L529 HydrophobicContact CD1-CD1 3.63Å; F438-L529 HydrophobicContact CD2-CD1 3.53Å; F438-L529 HydrophobicContact CE1-CD1 3.77Å; F438-L529 HydrophobicContact CE2-CD1 3.68Å; F438-L529 HydrophobicContact CG-CD1 3.5Å; F438-L529 HydrophobicContact CZ-CD1 3.8Å; F438-A532 HydrophobicContact CE1-CB 4.42Å; F438-A532 HydrophobicContact CZ-CB 3.75Å
439	D	96.5	Very high	95.6	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.171	21%	0.212	C	C	.	.			trans	-132.3	120	175.8	-179.5	-65.1	0	0	0	109.4	D396 Y413 K436 R441 Q442 C443	D396-D439 VanDerWaalsContact OD1-CA 3.31Å; D396-D439 WeakPolarHBondContact OD1-CA 3.25Å; Y413-D439 HydrophobicContact CD2-CB 3.46Å; Y413-D439 VanDerWaalsContact CD2-CB 3.46Å; Y413-D439 HydrophobicContact CE2-CB 3.43Å; Y413-D439 VanDerWaalsContact CE2-CB 3.43Å; K436-D439 IonicContact NZ-OD2 2.81Å; K436-D439 PolarHBondContact NZ-OD2 3.12Å; D439-R441 PolarHBondContact OD1-N 3.04Å; D439-R441 VanDerWaalsContact OD1-N 3.14Å; D439-Q442 HydrophobicContact CB-CB 3.79Å; D439-Q442 PolarHBondContact O-N 2.91Å; D439-Q442 VanDerWaalsContact OD1-CB 3.24Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.23Å; D439-Q442 PolarHBondContact OD1-N 3.02Å; D439-C443 WeakPolarHBondContact O-CB 3.31Å; D439-C443 PolarHBondContact O-N 2.92Å
440	L	97	Very high	95.1	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-70.8	-38.3	-171.6	-170.7	71.5	0	0	0	111.9	I314 E394 D396 F438 Q442 C443 H444 R531 A532 L535	I314-L440 HydrophobicContact CD1-CB 4Å; I314-L440 HydrophobicContact CD1-CD2 3.6Å; I314-L440 HydrophobicContact CD1-CG 3.55Å; E394-L440 HydrophobicContact CB-CD2 3.86Å; E394-L440 HydrophobicContact CG-CD2 3.71Å; D396-L440 PolarHBondContact OD1-N 3.26Å; F438-L440 HydrophobicContact CE1-CB 4.03Å; F438-L440 HydrophobicContact CE1-CD1 3.8Å; F438-L440 HydrophobicContact CZ-CD1 4.16Å; L440-Q442 VanDerWaalsContact C-N 3.34Å; L440-C443 PolarHBondContact O-N 3.08Å; L440-H444 WeakPolarHBondContact O-CB 3.47Å; L440-H444 PolarHBondContact O-N 2.98Å; L440-R531 HydrophobicContact CD1-CB 4.48Å; L440-R531 HydrophobicContact CD1-CG 4.2Å; L440-R531 HydrophobicContact CD2-CG 3.64Å; L440-A532 HydrophobicContact CD1-CB 3.91Å; L440-L535 HydrophobicContact CD1-CD1 3.9Å; L440-L535 HydrophobicContact CD2-CD1 4.15Å; L440-L535 HydrophobicContact CG-CD1 3.92Å
441	R	94	Very high	94.6	Very high	75 Å²	75	44.5 Å²	44.5	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-68.9	-34.2	179.3	-67.6	-175	-177.3	-86.3	-10.7	111.9	Q311 P312 I314 D439 R445	Q311-R441 VanDerWaalsContact OE1-CZ 3.32Å; P312-R441 PolarHBondContact O-NH1 3.37Å; P312-R441 VanDerWaalsContact O-NH1 3.14Å; P312-R441 PolarHBondContact O-NH2 2.6Å; I314-R441 HydrophobicContact CD1-CB 4.3Å; I314-R441 HydrophobicContact CD1-CG 3.59Å; I314-R441 HydrophobicContact CG1-CG 3.85Å; D439-R441 PolarHBondContact OD1-N 3.04Å; D439-R441 VanDerWaalsContact OD1-N 3.14Å; R441-R445 WeakPolarHBondContact O-CG 3.12Å; R441-R445 PolarHBondContact O-N 3.35Å; R441-R445 PolarHBondContact O-NE 3.47Å
442	Q	92.5	Very high	94.1	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-50.7	170.9	177.2	-179.6	142.2	0	0	111	R416 D439 L440 H444 R445 Q446	R416-Q442 VanDerWaalsContact NH1-CD 3.29Å; D439-Q442 HydrophobicContact CB-CB 3.79Å; D439-Q442 PolarHBondContact O-N 2.91Å; D439-Q442 VanDerWaalsContact OD1-CB 3.24Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.23Å; D439-Q442 PolarHBondContact OD1-N 3.02Å; L440-Q442 VanDerWaalsContact C-N 3.34Å; Q442-H444 VanDerWaalsContact C-N 3.33Å; Q442-H444 PolarHBondContact O-N 2.84Å; Q442-R445 PolarHBondContact O-N 3.38Å; Q442-Q446 WeakPolarHBondContact O-CB 3.43Å; Q442-Q446 PolarHBondContact O-N 2.96Å
443	C	95.6	Very high	93.4	Very high	10 Å²	10	45 Å²	45	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-47.1	-178.3	-164	0	0	0	0	110.7	F438 D439 L440 R445 Q446 M447 L498	F438-C443 HydrophobicContact CE1-CB 4.36Å; F438-C443 HydrophobicContact CE2-CB 3.64Å; F438-C443 VanDerWaalsContact CE2-SG 3.52Å; F438-C443 HydrophobicContact CZ-CB 3.42Å; F438-C443 VanDerWaalsContact CZ-CB 3.42Å; D439-C443 WeakPolarHBondContact O-CB 3.31Å; D439-C443 PolarHBondContact O-N 2.92Å; L440-C443 PolarHBondContact O-N 3.08Å; C443-R445 PolarHBondContact O-N 2.95Å; C443-Q446 WeakPolarHBondContact O-CB 3.45Å; C443-Q446 PolarHBondContact O-N 2.96Å; C443-Q446 VanDerWaalsContact O-N 3.16Å; C443-M447 HydrophobicContact CB-CE 4.13Å; C443-M447 WeakPolarHBondContact O-CG 3.32Å; C443-M447 PolarHBondContact O-N 3.23Å; C443-M447 WeakPolarHBondContact SG-CE 3.43Å; C443-L498 PolarHBondContact SG-O 2.85Å
444	H	95.2	Very high	92.6	Very high	29 Å²	29	45.8 Å²	45.8	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-46.9	175.7	-177.3	-123.8	0	0	0	113.3	I314 L440 Q442 Q446 M447 Q448 L535	I314-H444 HydrophobicContact CG2-CB 4.07Å; I314-H444 WeakPolarHBondContact CG2-ND1 3.34Å; L440-H444 WeakPolarHBondContact O-CB 3.47Å; L440-H444 PolarHBondContact O-N 2.98Å; Q442-H444 VanDerWaalsContact C-N 3.33Å; Q442-H444 PolarHBondContact O-N 2.84Å; H444-Q446 VanDerWaalsContact C-N 3.3Å; H444-Q446 PolarHBondContact O-N 3.3Å; H444-M447 PolarHBondContact O-N 2.94Å; H444-Q448 PolarHBondContact CE1-NE2 3.19Å; H444-Q448 PolarHBondContact NE2-NE2 3.27Å; H444-Q448 WeakPolarHBondContact O-CG 3.41Å; H444-Q448 PolarHBondContact O-N 2.94Å; H444-L535 HydrophobicContact CB-CD1 4.2Å
445	R	93	Very high	91.9	Very high	140 Å²	140	46 Å²	46	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-39.9	175	-76.9	-174.8	-67.1	168.4	-2.6	112.2	R441 Q442 C443 Q449	R441-R445 WeakPolarHBondContact O-CG 3.12Å; R441-R445 PolarHBondContact O-N 3.35Å; R441-R445 PolarHBondContact O-NE 3.47Å; Q442-R445 PolarHBondContact O-N 3.38Å; C443-R445 PolarHBondContact O-N 2.95Å; R445-Q449 WeakPolarHBondContact O-CB 3.3Å; R445-Q449 VanDerWaalsContact O-CG 3.27Å; R445-Q449 WeakPolarHBondContact O-CG 3.29Å; R445-Q449 PolarHBondContact O-N 2.92Å
446	Q	89.6	Confident	91.1	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-66.2	-41.3	177.8	-171.4	65.9	26.6	0	0	111.4	Q442 C443 H444 Q449 Q450 L498	Q442-Q446 WeakPolarHBondContact O-CB 3.43Å; Q442-Q446 PolarHBondContact O-N 2.96Å; C443-Q446 WeakPolarHBondContact O-CB 3.45Å; C443-Q446 PolarHBondContact O-N 2.96Å; C443-Q446 VanDerWaalsContact O-N 3.16Å; H444-Q446 VanDerWaalsContact C-N 3.3Å; H444-Q446 PolarHBondContact O-N 3.3Å; Q446-Q449 PolarHBondContact O-N 2.81Å; Q446-Q450 WeakPolarHBondContact O-CB 3.38Å; Q446-Q450 WeakPolarHBondContact O-CG 3.35Å; Q446-Q450 PolarHBondContact O-N 3.14Å; Q446-L498 HydrophobicContact CB-CD1 4.1Å; Q446-L498 HydrophobicContact CG-CD1 3.7Å; Q446-L498 HydrophobicContact CG-CD2 4.1Å
447	M	93	Very high	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-51	174.3	-67.6	173.6	-146.1	0	0	111.4	C443 H444 Q449 Q450 A451 L495 L498 C499 A532 L536	C443-M447 HydrophobicContact CB-CE 4.13Å; C443-M447 WeakPolarHBondContact O-CG 3.32Å; C443-M447 PolarHBondContact O-N 3.23Å; C443-M447 WeakPolarHBondContact SG-CE 3.43Å; H444-M447 PolarHBondContact O-N 2.94Å; M447-Q449 VanDerWaalsContact C-N 3.31Å; M447-Q449 PolarHBondContact O-N 3.42Å; M447-Q450 PolarHBondContact O-N 2.67Å; M447-A451 VanDerWaalsContact O-CB 3.23Å; M447-A451 WeakPolarHBondContact O-CB 3.3Å; M447-A451 PolarHBondContact O-N 2.81Å; M447-L495 HydrophobicContact CB-CD2 4.24Å; M447-L495 HydrophobicContact CG-CD2 4.49Å; M447-L498 HydrophobicContact CG-CD1 3.98Å; M447-C499 WeakPolarHBondContact CE-SG 3.21Å; M447-A532 HydrophobicContact CE-CB 4.16Å; M447-A532 WeakPolarHBondContact CE-O 3.34Å; M447-L536 HydrophobicContact CE-CB 4.5Å; M447-L536 HydrophobicContact CG-CD1 4.35Å; M447-L536 HydrophobicContact SD-CB 3.66Å; M447-L536 HydrophobicContact SD-CD1 4.15Å; M447-L536 HydrophobicContact SD-CG 4.46Å
448	Q	92.3	Very high	89.1	Confident	93 Å²	93	48.3 Å²	48.3	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-57	-44.6	179	-70.8	179.2	-36.8	0	0	111.7	H444 A452 V539	H444-Q448 PolarHBondContact CE1-NE2 3.19Å; H444-Q448 PolarHBondContact NE2-NE2 3.27Å; H444-Q448 WeakPolarHBondContact O-CG 3.41Å; H444-Q448 PolarHBondContact O-N 2.94Å; Q448-A452 VanDerWaalsContact O-CB 3.3Å; Q448-A452 WeakPolarHBondContact O-CB 3.36Å; Q448-A452 PolarHBondContact O-N 3.11Å; Q448-V539 HydrophobicContact CG-CG2 3.87Å
449	Q	88.8	Confident	88.1	Confident	118 Å²	118	50.8 Å²	50.8	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-66.9	-43.9	178.5	-73.6	175.1	-2.4	0	0	113	R445 Q446 M447 T453	R445-Q449 WeakPolarHBondContact O-CB 3.3Å; R445-Q449 VanDerWaalsContact O-CG 3.27Å; R445-Q449 WeakPolarHBondContact O-CG 3.29Å; R445-Q449 PolarHBondContact O-N 2.92Å; Q446-Q449 PolarHBondContact O-N 2.81Å; M447-Q449 VanDerWaalsContact C-N 3.31Å; M447-Q449 PolarHBondContact O-N 3.42Å; Q449-T453 WeakPolarHBondContact O-CB 3.48Å; Q449-T453 PolarHBondContact O-N 2.85Å; Q449-T453 PolarHBondContact O-OG1 3.02Å
450	Q	87.2	Confident	86.9	Confident	59 Å²	59	52.1 Å²	52.1	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-70.4	-40.4	178.5	-78.3	-175	-7.3	0	0	112.2	Q446 M447 T453 A454 L495	Q446-Q450 WeakPolarHBondContact O-CB 3.38Å; Q446-Q450 WeakPolarHBondContact O-CG 3.35Å; Q446-Q450 PolarHBondContact O-N 3.14Å; M447-Q450 PolarHBondContact O-N 2.67Å; Q450-T453 PolarHBondContact O-N 2.91Å; Q450-A454 WeakPolarHBondContact O-CB 3.4Å; Q450-A454 PolarHBondContact O-N 2.98Å; Q450-L495 HydrophobicContact CB-CD2 3.55Å
451	A	88.8	Confident	85.9	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-48.7	174.9	0	0	0	0	0	111.2	M447 T453 A454 Q455 L495 V539 M543	M447-A451 VanDerWaalsContact O-CB 3.23Å; M447-A451 WeakPolarHBondContact O-CB 3.3Å; M447-A451 PolarHBondContact O-N 2.81Å; A451-T453 VanDerWaalsContact C-N 3.31Å; A451-T453 PolarHBondContact O-N 3.07Å; A451-A454 PolarHBondContact O-N 2.86Å; A451-Q455 WeakPolarHBondContact O-CB 3.48Å; A451-Q455 PolarHBondContact O-N 2.92Å; A451-L495 HydrophobicContact CB-CD1 4.21Å; A451-V539 HydrophobicContact CB-CG1 3.68Å; A451-M543 HydrophobicContact CB-CE 4.04Å; A451-M543 HydrophobicContact CB-SD 4.04Å; A451-M543 VanDerWaalsContact O-CE 3.24Å; A451-M543 WeakPolarHBondContact O-CE 3.38Å
452	A	87.4	Confident	84.9	Confident	55 Å²	55	53.4 Å²	53.4	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-37.5	176.2	0	0	0	0	0	112.5	Q448 A456	Q448-A452 VanDerWaalsContact O-CB 3.3Å; Q448-A452 WeakPolarHBondContact O-CB 3.36Å; Q448-A452 PolarHBondContact O-N 3.11Å; A452-A456 WeakPolarHBondContact O-CB 3.49Å; A452-A456 PolarHBondContact O-N 2.81Å
453	T	82.5	Confident	84	Confident	94 Å²	94	55.7 Å²	55.7	58%	0.577	33%	0.332	S	S	*	.	H	α-helix	trans	-68	-43.3	176.7	-57.8	0	0	0	0	111.6	Q449 Q450 A451 A456 A457	Q449-T453 WeakPolarHBondContact O-CB 3.48Å; Q449-T453 PolarHBondContact O-N 2.85Å; Q449-T453 PolarHBondContact O-OG1 3.02Å; Q450-T453 PolarHBondContact O-N 2.91Å; A451-T453 VanDerWaalsContact C-N 3.31Å; A451-T453 PolarHBondContact O-N 3.07Å; T453-A456 PolarHBondContact O-N 2.64Å; T453-A457 WeakPolarHBondContact O-CB 3.24Å; T453-A457 PolarHBondContact O-N 3.49Å
454	A	81.4	Confident	82.7	Confident	19 Å²	19	58.1 Å²	58.1	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-41.3	176.4	0	0	0	0	0	111.5	Q450 A451 A457 A458 I490	Q450-A454 WeakPolarHBondContact O-CB 3.4Å; Q450-A454 PolarHBondContact O-N 2.98Å; A451-A454 PolarHBondContact O-N 2.86Å; A454-A457 PolarHBondContact O-N 3.44Å; A454-A458 WeakPolarHBondContact O-CB 3.35Å; A454-A458 PolarHBondContact O-N 2.95Å; A454-I490 WeakPolarHBondContact CB-O 3.38Å
455	Q	81.4	Confident	81.5	Confident	82 Å²	82	60.6 Å²	60.6	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-44.9	173.7	-172.2	-173.8	-31.8	0	0	112.1	A451 A458 A459 M543 P544	A451-Q455 WeakPolarHBondContact O-CB 3.48Å; A451-Q455 PolarHBondContact O-N 2.92Å; Q455-A458 WeakPolarHBondContact O-CB 3.31Å; Q455-A458 PolarHBondContact O-N 3.15Å; Q455-A459 WeakPolarHBondContact O-CB 3.45Å; Q455-A459 PolarHBondContact O-N 3.04Å; Q455-M543 HydrophobicContact CB-CE 3.77Å; Q455-M543 HydrophobicContact CG-CE 4.45Å; Q455-P544 VanDerWaalsContact NE2-CD 3.35Å
456	A	81.1	Confident	80.3	Confident	62 Å²	62	56.3 Å²	56.3	51%	0.512	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-41.8	177.7	0	0	0	0	0	112	A452 T453 A458 A459 A460	A452-A456 WeakPolarHBondContact O-CB 3.49Å; A452-A456 PolarHBondContact O-N 2.81Å; T453-A456 PolarHBondContact O-N 2.64Å; A456-A458 VanDerWaalsContact C-N 3.32Å; A456-A458 PolarHBondContact O-N 2.82Å; A456-A459 PolarHBondContact O-N 3.01Å; A456-A460 WeakPolarHBondContact O-CB 3.31Å; A456-A460 PolarHBondContact O-N 3.24Å
457	A	76.8	Confident	78.6	Confident	51 Å²	51	55.9 Å²	55.9	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-40.4	174.4	0	0	0	0	0	111.9	T453 A454 A460 Q461	T453-A457 WeakPolarHBondContact O-CB 3.24Å; T453-A457 PolarHBondContact O-N 3.49Å; A454-A457 PolarHBondContact O-N 3.44Å; A457-A460 PolarHBondContact O-N 2.85Å; A457-Q461 WeakPolarHBondContact O-CG 3.49Å; A457-Q461 PolarHBondContact O-N 2.81Å
458	A	78.2	Confident	76.5	Confident	6 Å²	6	62.3 Å²	62.3	5%	0.05	41%	0.411	C	S	.	.	H	α-helix	trans	-68	-42.8	177.6	0	0	0	0	0	113.4	A454 Q455 A456 A460 Q461 A462 A486 I490	A454-A458 WeakPolarHBondContact O-CB 3.35Å; A454-A458 PolarHBondContact O-N 2.95Å; Q455-A458 WeakPolarHBondContact O-CB 3.31Å; Q455-A458 PolarHBondContact O-N 3.15Å; A456-A458 VanDerWaalsContact C-N 3.32Å; A456-A458 PolarHBondContact O-N 2.82Å; A458-A460 VanDerWaalsContact C-N 3.32Å; A458-Q461 PolarHBondContact O-N 3.01Å; A458-A462 PolarHBondContact O-N 2.9Å; A458-A486 HydrophobicContact CB-CB 4.22Å; A458-I490 HydrophobicContact CB-CD1 3.13Å
459	A	76.8	Confident	74.4	Confident	60 Å²	60	64.7 Å²	64.7	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-40.7	174	0	0	0	0	0	111.2	Q455 A456 A462 A463	Q455-A459 WeakPolarHBondContact O-CB 3.45Å; Q455-A459 PolarHBondContact O-N 3.04Å; A456-A459 PolarHBondContact O-N 3.01Å; A459-A462 PolarHBondContact O-N 3.02Å; A459-A463 WeakPolarHBondContact O-CB 3.32Å; A459-A463 PolarHBondContact O-N 2.96Å
460	A	73.2	Confident	72	Confident	60 Å²	60	65.3 Å²	65.3	50%	0.496	44%	0.44	S	S	.	.	H	α-helix	trans	-63.6	-40.5	174	0	0	0	0	0	112.4	A456 A457 A458 A464	A456-A460 WeakPolarHBondContact O-CB 3.31Å; A456-A460 PolarHBondContact O-N 3.24Å; A457-A460 PolarHBondContact O-N 2.85Å; A458-A460 VanDerWaalsContact C-N 3.32Å; A460-A464 VanDerWaalsContact O-CB 3.27Å; A460-A464 WeakPolarHBondContact O-CB 3.38Å; A460-A464 PolarHBondContact O-N 3.23Å
461	Q	74.5	Confident	70	Confident	71 Å²	71	64.5 Å²	64.5	33%	0.332	45%	0.447	S	S	.	.	H	α-helix	trans	-64.1	-43.2	173.6	-76.4	172.6	-23.6	0	0	112.1	G65 A457 A458 A464 V465	G65-Q461 PolarHBondContact O-NE2 3.09Å; A457-Q461 WeakPolarHBondContact O-CG 3.49Å; A457-Q461 PolarHBondContact O-N 2.81Å; A458-Q461 PolarHBondContact O-N 3.01Å; Q461-A464 PolarHBondContact O-N 2.85Å; Q461-V465 WeakPolarHBondContact O-CG2 3.46Å; Q461-V465 PolarHBondContact O-N 2.77Å
462	A	73.1	Confident	67.8	Low	33 Å²	33	71.5 Å²	71.5	27%	0.273	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-46.4	176.3	0	0	0	0	0	111.7	A458 A459 A464 V465 A466	A458-A462 PolarHBondContact O-N 2.9Å; A459-A462 PolarHBondContact O-N 3.02Å; A462-A464 PolarHBondContact O-N 2.95Å; A462-V465 PolarHBondContact O-N 3.37Å; A462-A466 PolarHBondContact O-N 3.02Å
463	A	73.4	Confident	66	Low	65 Å²	65	72 Å²	72	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-38.4	176.5	0	0	0	0	0	112.8	A459 V465 A466 G467	A459-A463 WeakPolarHBondContact O-CB 3.32Å; A459-A463 PolarHBondContact O-N 2.96Å; A463-V465 VanDerWaalsContact C-N 3.25Å; A463-V465 PolarHBondContact O-N 3.48Å; A463-A466 WeakPolarHBondContact O-CB 3.28Å; A463-A466 PolarHBondContact O-N 2.95Å; A463-G467 PolarHBondContact O-N 2.9Å
464	A	68.8	Low	64.1	Low	62 Å²	62	72.4 Å²	72.4	51%	0.512	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-29	175.9	0	0	0	0	0	112.9	A460 Q461 A462	A460-A464 VanDerWaalsContact O-CB 3.27Å; A460-A464 WeakPolarHBondContact O-CB 3.38Å; A460-A464 PolarHBondContact O-N 3.23Å; Q461-A464 PolarHBondContact O-N 2.85Å; A462-A464 PolarHBondContact O-N 2.95Å
465	V	70.5	Confident	62.4	Low	80 Å²	80	78 Å²	78	49%	0.485	54%	0.541	S	S	.	.	H	α-helix	trans	-82.3	-29.2	173.4	178.7	0	0	0	0	112	P68 Q461 A462 A463 G467 L484	P68-V465 HydrophobicContact CG-CG2 4.17Å; Q461-V465 WeakPolarHBondContact O-CG2 3.46Å; Q461-V465 PolarHBondContact O-N 2.77Å; A462-V465 PolarHBondContact O-N 3.37Å; A463-V465 VanDerWaalsContact C-N 3.25Å; A463-V465 PolarHBondContact O-N 3.48Å; V465-G467 VanDerWaalsContact C-N 3.29Å; V465-G467 PolarHBondContact O-N 2.91Å; V465-L484 HydrophobicContact CB-CD2 3.86Å; V465-L484 HydrophobicContact CG1-CD1 4.08Å; V465-L484 HydrophobicContact CG1-CD2 3.73Å; V465-L484 HydrophobicContact CG2-CD2 4.35Å
466	A	68	Low	60	Low	50 Å²	50	78 Å²	78	41%	0.413	56%	0.563	S	S	.	*	H	α-helix	trans	-66.3	-26.2	175.5	0	0	0	0	0	113.8	A462 A463 N468 L551	A462-A466 PolarHBondContact O-N 3.02Å; A463-A466 WeakPolarHBondContact O-CB 3.28Å; A463-A466 PolarHBondContact O-N 2.95Å; A466-N468 PolarHBondContact O-N 2.7Å; A466-L551 HydrophobicContact CB-CD2 3.58Å
467	G	53.3	Low	57.8	Low	51 Å²	51	78.3 Å²	78.3	53%	0.526	57%	0.573	S	S	.	*			trans	76.1	6.8	147.9	0	0	0	0	0	119.6	A463 V465 I469	A463-G467 PolarHBondContact O-N 2.9Å; V465-G467 VanDerWaalsContact C-N 3.29Å; V465-G467 PolarHBondContact O-N 2.91Å; G467-I469 PolarHBondContact O-N 3.04Å; G467-I469 VanDerWaalsContact O-N 3.09Å
468	N	48.8	Very low	56.1	Low	135 Å²	135	84.3 Å²	84.3	72%	0.722	60%	0.596	S	S	*	*			trans	-81.3	88.9	176.9	-160.6	36.4	0	0	0	112.3	A466 P470	A466-N468 PolarHBondContact O-N 2.7Å; N468-P470 WeakPolarHBondContact O-CD 3.47Å
469	I	47.6	Very low	54.5	Low	142 Å²	142	87.4 Å²	87.4	73%	0.728	62%	0.621	S	S	*	*			trans	-66.9	124.9	168.2	-59.6	174.9	0	0	0	108.4	G467 G471	G467-I469 PolarHBondContact O-N 3.04Å; G467-I469 VanDerWaalsContact O-N 3.09Å; I469-G471 VanDerWaalsContact C-N 3.34Å; I469-G471 PolarHBondContact O-N 2.92Å
470	P	40.3	Very low	52.9	Low	132 Å²	132	89.1 Å²	89.1	86%	0.857	63%	0.627	S	S	*	*			trans	-68.7	89.6	173.7	-18	32.5	0	0	0	110.8	N468	N468-P470 WeakPolarHBondContact O-CD 3.47Å
471	G	44.4	Very low	51.3	Low	41 Å²	41	91.5 Å²	91.5	42%	0.423	65%	0.647	S	S	.	*			trans	-139.6	133.3	179.7	0	0	0	0	0	111.3	I469 G473	I469-G471 VanDerWaalsContact C-N 3.34Å; I469-G471 PolarHBondContact O-N 2.92Å; G471-G473 VanDerWaalsContact C-N 3.35Å; G471-G473 PolarHBondContact O-N 2.89Å
472	P	43	Very low	49.8	Very low	150 Å²	150	93.1 Å²	93.1	97%	0.974	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	85.5	-178	30.9	-34.6	0	0	0	110.6
473	G	48.1	Very low	48.3	Very low	66 Å²	66	95.7 Å²	95.7	68%	0.68	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.7	-3.6	179.8	0	0	0	0	0	117.4	G471 V475	G471-G473 VanDerWaalsContact C-N 3.35Å; G471-G473 PolarHBondContact O-N 2.89Å; G473-V475 PolarHBondContact O-N 2.88Å; G473-V475 VanDerWaalsContact O-N 3.14Å
474	S	44.1	Very low	47.1	Very low	103 Å²	103	95.6 Å²	95.6	72%	0.72	66%	0.663	S	S	*	*			trans	-77	101.7	178.8	-157.5	0	0	0	0	111.1
475	V	44	Very low	46.1	Very low	136 Å²	136	96.2 Å²	96.2	82%	0.824	66%	0.663	S	S	*	*			trans	-80.4	130.6	173.6	-173.3	0	0	0	0	108.5	G473 G477	G473-V475 PolarHBondContact O-N 2.88Å; G473-V475 VanDerWaalsContact O-N 3.14Å; V475-G477 PolarHBondContact O-N 3.19Å
476	G	32.3	Very low	45.2	Very low	82 Å²	82	94.3 Å²	94.3	85%	0.845	66%	0.656	S	S	*	*			trans	-53.5	125.8	-169.6	0	0	0	0	0	114.5
477	G	34.8	Very low	44.3	Very low	69 Å²	69	94.1 Å²	94.1	71%	0.711	66%	0.655	S	S	*	*			trans	-126.5	134.3	170.8	0	0	0	0	0	109.5	V475 A479	V475-G477 PolarHBondContact O-N 3.19Å; G477-A479 PolarHBondContact O-N 2.95Å; G477-A479 VanDerWaalsContact O-N 3.09Å
478	I	40.4	Very low	44.2	Very low	177 Å²	177	96.7 Å²	96.7	91%	0.908	67%	0.671	S	S	*	*			trans	-63.8	109.9	-173.1	-55.9	161.1	0	0	0	109.3
479	A	45.2	Very low	44.4	Very low	70 Å²	70	92.5 Å²	92.5	58%	0.579	66%	0.66	S	S	*	*			trans	-69.7	132.5	178.4	0	0	0	0	0	110.6	G477	G477-A479 PolarHBondContact O-N 2.95Å; G477-A479 VanDerWaalsContact O-N 3.09Å
480	P	42.3	Very low	44.8	Very low	97 Å²	97	89 Å²	89	63%	0.63	64%	0.642	S	S	*	*			trans	-70.1	135.5	169.5	29.5	-32.7	0	0	0	109.4	I482	P480-I482 VanDerWaalsContact C-N 3.32Å; P480-I482 HydrophobicContact CB-CD1 4.42Å; P480-I482 HydrophobicContact CB-CG1 4.28Å; P480-I482 HydrophobicContact CG-CD1 3.94Å; P480-I482 HydrophobicContact CG-CG1 4.23Å; P480-I482 PolarHBondContact O-N 2.77Å
481	A	40.2	Very low	46.3	Very low	110 Å²	110	84 Å²	84	91%	0.909	61%	0.614	S	S	*	*			trans	-66.6	86.3	177.3	0	0	0	0	0	111.4
482	I	43.7	Very low	48.2	Very low	104 Å²	104	84.3 Å²	84.3	53%	0.533	61%	0.608	S	S	.	*			trans	-108.9	95.3	175.8	-57.4	176.2	0	0	0	107.8	P480 L484	P480-I482 VanDerWaalsContact C-N 3.32Å; P480-I482 HydrophobicContact CB-CD1 4.42Å; P480-I482 HydrophobicContact CB-CG1 4.28Å; P480-I482 HydrophobicContact CG-CD1 3.94Å; P480-I482 HydrophobicContact CG-CG1 4.23Å; P480-I482 PolarHBondContact O-N 2.77Å; I482-L484 HydrophobicContact CG2-CD1 4.08Å; I482-L484 PolarHBondContact O-N 3.13Å
483	S	41.2	Very low	50.1	Low	88 Å²	88	79.8 Å²	79.8	62%	0.615	58%	0.575	S	S	*	*			trans	-64.9	106.6	170.6	-51.7	0	0	0	0	109.9	S485	S483-S485 PolarHBondContact O-N 2.76Å
484	L	49.1	Very low	51.8	Low	62 Å²	62	80.1 Å²	80.1	33%	0.325	56%	0.562	S	S	.	*			trans	-81.6	103.5	169.6	-88	98	0	0	0	109.9	V465 I482 L551	V465-L484 HydrophobicContact CB-CD2 3.86Å; V465-L484 HydrophobicContact CG1-CD1 4.08Å; V465-L484 HydrophobicContact CG1-CD2 3.73Å; V465-L484 HydrophobicContact CG2-CD2 4.35Å; I482-L484 HydrophobicContact CG2-CD1 4.08Å; I482-L484 PolarHBondContact O-N 3.13Å; L484-L551 HydrophobicContact CD1-CD1 4.14Å
485	S	47.3	Very low	54	Low	75 Å²	75	75.4 Å²	75.4	52%	0.524	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-89.6	121.3	163.7	-176.4	0	0	0	0	108.7	S483 A487	S483-S485 PolarHBondContact O-N 2.76Å; S485-A487 PolarHBondContact O-N 2.87Å
486	A	51.2	Low	56.4	Low	41 Å²	41	74.5 Å²	74.5	34%	0.339	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63.5	118.7	168.7	0	0	0	0	0	108.3	A458 A488 I490	A458-A486 HydrophobicContact CB-CB 4.22Å; A486-A488 PolarHBondContact O-N 2.57Å; A486-A488 VanDerWaalsContact O-N 3.12Å; A486-I490 HydrophobicContact CB-CD1 4.22Å
487	A	49.8	Very low	59.4	Low	46 Å²	46	73 Å²	73	38%	0.38	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-55.5	118	-172.3	0	0	0	0	0	111.1	S485 G489 I490	S485-A487 PolarHBondContact O-N 2.87Å; A487-G489 PolarHBondContact O-N 3.43Å; A487-I490 WeakPolarHBondContact O-CD1 3.45Å; A487-I490 WeakPolarHBondContact O-CG1 3.49Å
488	A	50.5	Low	62.2	Low	104 Å²	104	70.3 Å²	70.3	86%	0.86	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	27.9	-165.5	0	0	0	0	0	117.1	A486	A486-A488 PolarHBondContact O-N 2.57Å; A486-A488 VanDerWaalsContact O-N 3.12Å
489	G	52.7	Low	64.9	Low	48 Å²	48	61.9 Å²	61.9	50%	0.495	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	20.6	-178.1	0	0	0	0	0	114.7	A487 G491 V492	A487-G489 PolarHBondContact O-N 3.43Å; G489-G491 PolarHBondContact O-N 3.08Å; G489-V492 PolarHBondContact O-N 3.14Å
490	I	55.7	Low	67.5	Low	69 Å²	69	59.5 Å²	59.5	35%	0.354	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	102	-171.1	-27.5	177.4	0	0	0	110.3	A454 A458 A486 A487	A454-I490 WeakPolarHBondContact CB-O 3.38Å; A458-I490 HydrophobicContact CB-CD1 3.13Å; A486-I490 HydrophobicContact CB-CD1 4.22Å; A487-I490 WeakPolarHBondContact O-CD1 3.45Å; A487-I490 WeakPolarHBondContact O-CG1 3.49Å
491	G	71.9	Confident	70.1	Confident	26 Å²	26	55.2 Å²	55.2	27%	0.268	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	6.1	178.6	0	0	0	0	0	115.9	G489 D493 D494 L495	G489-G491 PolarHBondContact O-N 3.08Å; G491-D493 VanDerWaalsContact C-N 3.34Å; G491-D493 PolarHBondContact O-N 3.46Å; G491-D494 PolarHBondContact O-N 3.19Å; G491-D494 VanDerWaalsContact O-N 3.09Å; G491-L495 WeakPolarHBondContact O-CG 3.11Å; G491-L495 PolarHBondContact O-N 3.32Å
492	V	84.1	Confident	72.9	Confident	47 Å²	47	52.6 Å²	52.6	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-40.3	-177.4	176.3	0	0	0	0	112.7	G489 D494 L495 R496 L540	G489-V492 PolarHBondContact O-N 3.14Å; V492-D494 VanDerWaalsContact C-N 3.32Å; V492-D494 PolarHBondContact O-N 2.96Å; V492-L495 PolarHBondContact O-N 3.42Å; V492-R496 WeakPolarHBondContact O-CB 3.31Å; V492-R496 PolarHBondContact O-N 2.77Å; V492-L540 HydrophobicContact CG1-CD1 4.05Å; V492-L540 HydrophobicContact CG2-CD1 4.3Å; V492-L540 HydrophobicContact CG2-CD2 3.9Å
493	D	83.7	Confident	75.5	Confident	55 Å²	55	47.8 Å²	47.8	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-37.3	175.6	-78.5	-34.3	0	0	0	112.4	R135 G491 R496 R497	R135-D493 WeakPolarHBondContact CD-OD2 3.02Å; G491-D493 VanDerWaalsContact C-N 3.34Å; G491-D493 PolarHBondContact O-N 3.46Å; D493-R496 PolarHBondContact O-N 2.87Å; D493-R497 VanDerWaalsContact O-CG 3.27Å; D493-R497 WeakPolarHBondContact O-CG 3.28Å; D493-R497 PolarHBondContact O-N 2.76Å; D493-R497 VanDerWaalsContact O-N 3.15Å
494	D	84.1	Confident	78.3	Confident	74 Å²	74	43.6 Å²	43.6	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-73.2	-40.5	-179.8	-62.3	-53.3	0	0	0	111.4	G491 V492 R497	G491-D494 PolarHBondContact O-N 3.19Å; G491-D494 VanDerWaalsContact O-N 3.09Å; V492-D494 VanDerWaalsContact C-N 3.32Å; V492-D494 PolarHBondContact O-N 2.96Å; D494-R497 WeakPolarHBondContact O-CB 3.49Å; D494-R497 PolarHBondContact O-N 2.93Å; D494-R497 IonicContact OD1-CZ 3.13Å; D494-R497 IonicContact OD1-NH1 2.75Å; D494-R497 PolarHBondContact OD1-NH1 3.17Å
495	L	90.7	Very high	80.6	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-45.6	170.3	-70	168.9	0	0	0	111.7	M447 Q450 A451 G491 V492 R497 L498 L536 L540	M447-L495 HydrophobicContact CB-CD2 4.24Å; M447-L495 HydrophobicContact CG-CD2 4.49Å; Q450-L495 HydrophobicContact CB-CD2 3.55Å; A451-L495 HydrophobicContact CB-CD1 4.21Å; G491-L495 WeakPolarHBondContact O-CG 3.11Å; G491-L495 PolarHBondContact O-N 3.32Å; V492-L495 PolarHBondContact O-N 3.42Å; L495-R497 VanDerWaalsContact C-N 3.25Å; L495-R497 PolarHBondContact O-N 3.13Å; L495-L498 HydrophobicContact CD2-CD1 4.44Å; L495-L498 VanDerWaalsContact O-CB 3.26Å; L495-L498 WeakPolarHBondContact O-CB 3.24Å; L495-L498 WeakPolarHBondContact O-CG 3.45Å; L495-L498 PolarHBondContact O-N 2.74Å; L495-L536 HydrophobicContact CB-CD1 3.62Å; L495-L536 HydrophobicContact CB-CD2 4.2Å; L495-L536 HydrophobicContact CD1-CD1 4.07Å; L495-L536 HydrophobicContact CG-CD1 4.31Å; L495-L540 HydrophobicContact CD1-CD2 4.08Å
496	R	94.3	Very high	83.1	Confident	117 Å²	117	38 Å²	38	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-35.4	178.1	177.2	177.4	174	155.1	0.3	112.3	V492 D493 L498 C499 I500 H528 L533 L536	V492-R496 WeakPolarHBondContact O-CB 3.31Å; V492-R496 PolarHBondContact O-N 2.77Å; D493-R496 PolarHBondContact O-N 2.87Å; R496-L498 PolarHBondContact O-N 2.8Å; R496-C499 WeakPolarHBondContact O-CB 3.32Å; R496-C499 PolarHBondContact O-N 3.38Å; R496-I500 HydrophobicContact CG-CD1 4Å; R496-H528 PolarHBondContact NH2-NE2 3.34Å; R496-L533 HydrophobicContact CG-CD2 4.23Å; R496-L536 HydrophobicContact CB-CD2 4.12Å
497	R	93.8	Very high	85.3	Confident	51 Å²	51	40.1 Å²	40.1	19%	0.192	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-27.2	177	-73.8	163.9	-179.3	165.9	-8.9	112.7	D103 Y412 D493 D494 L495 C499 I500	D103-R497 IonicContact OD1-NH2 3.25Å; D103-R497 PolarHBondContact OD1-NH2 2.86Å; D103-R497 IonicContact OD2-NH2 3.44Å; D103-R497 PolarHBondContact OD2-NH2 3.26Å; Y412-R497 HydrophobicContact CE2-CB 3.81Å; Y412-R497 WeakPolarHBondContact CE2-O 3.33Å; D493-R497 VanDerWaalsContact O-CG 3.27Å; D493-R497 WeakPolarHBondContact O-CG 3.28Å; D493-R497 PolarHBondContact O-N 2.76Å; D493-R497 VanDerWaalsContact O-N 3.15Å; D494-R497 WeakPolarHBondContact O-CB 3.49Å; D494-R497 PolarHBondContact O-N 2.93Å; D494-R497 IonicContact OD1-CZ 3.13Å; D494-R497 IonicContact OD1-NH1 2.75Å; D494-R497 PolarHBondContact OD1-NH1 3.17Å; L495-R497 VanDerWaalsContact C-N 3.25Å; L495-R497 PolarHBondContact O-N 3.13Å; R497-C499 PolarHBondContact O-N 2.9Å; R497-I500 PolarHBondContact O-N 3.08Å
498	L	94.3	Very high	87.5	Confident	13 Å²	13	38 Å²	38	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-30.8	172.7	-55	175.8	0	0	0	112.2	Y412 F438 C443 Q446 M447 L495 R496 I500	Y412-L498 HydrophobicContact CD1-CD2 4.39Å; Y412-L498 HydrophobicContact CD2-CD2 4.11Å; Y412-L498 HydrophobicContact CG-CD2 3.96Å; F438-L498 WeakPolarHBondContact CE2-O 3.23Å; C443-L498 PolarHBondContact SG-O 2.85Å; Q446-L498 HydrophobicContact CB-CD1 4.1Å; Q446-L498 HydrophobicContact CG-CD1 3.7Å; Q446-L498 HydrophobicContact CG-CD2 4.1Å; M447-L498 HydrophobicContact CG-CD1 3.98Å; L495-L498 HydrophobicContact CD2-CD1 4.44Å; L495-L498 VanDerWaalsContact O-CB 3.26Å; L495-L498 WeakPolarHBondContact O-CB 3.24Å; L495-L498 WeakPolarHBondContact O-CG 3.45Å; L495-L498 PolarHBondContact O-N 2.74Å; R496-L498 PolarHBondContact O-N 2.8Å; L498-I500 VanDerWaalsContact C-N 3.29Å; L498-I500 PolarHBondContact O-N 3Å
499	C	97.8	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	6.2	-179.2	-51.3	0	0	0	0	113.8	M447 R496 R497 L529 A532 L533	M447-C499 WeakPolarHBondContact CE-SG 3.21Å; R496-C499 WeakPolarHBondContact O-CB 3.32Å; R496-C499 PolarHBondContact O-N 3.38Å; R497-C499 PolarHBondContact O-N 2.9Å; C499-L529 WeakPolarHBondContact O-CB 3.36Å; C499-L529 PolarHBondContact O-N 3.1Å; C499-A532 HydrophobicContact CB-CB 3.86Å; C499-A532 PolarHBondContact SG-O 2.83Å; C499-L533 HydrophobicContact CB-CD2 3.61Å; C499-L533 HydrophobicContact CB-CG 3.84Å
500	I	98.2	Very high	91.6	Very high	20 Å²	20	31.6 Å²	31.6	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.7	-173.7	-63.4	171.7	0	0	0	109.8	R496 R497 L498 R502 E526 I527 H528	R496-I500 HydrophobicContact CG-CD1 4Å; R497-I500 PolarHBondContact O-N 3.08Å; L498-I500 VanDerWaalsContact C-N 3.29Å; L498-I500 PolarHBondContact O-N 3Å; I500-R502 HydrophobicContact CG2-CG 4.27Å; I500-E526 HydrophobicContact CG2-CG 3.61Å; I500-I527 WeakPolarHBondContact CA-O 3.27Å; I500-H528 WeakPolarHBondContact CD1-NE2 3.49Å
501	L	98.6	Very high	93.2	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.9	166.3	-61.9	168	0	0	0	109	V397 V437 F438 I527 L529	V397-L501 HydrophobicContact CB-CD1 4.33Å; V397-L501 HydrophobicContact CG1-CD1 4.27Å; V437-L501 HydrophobicContact CG2-CD1 3.65Å; V437-L501 HydrophobicContact CG2-CD2 4.37Å; F438-L501 HydrophobicContact CB-CD1 4.28Å; F438-L501 HydrophobicContact CB-CD2 4.5Å; L501-I527 HydrophobicContact CB-CB 4.25Å; L501-I527 HydrophobicContact CB-CD1 4.17Å; L501-I527 PolarHBondContact N-O 2.96Å; L501-I527 PolarHBondContact O-N 3.35Å; L501-L529 HydrophobicContact CD1-CD1 4.11Å; L501-L529 HydrophobicContact CG-CD1 4.27Å
502	R	98.7	Very high	94.1	Very high	56 Å²	56	35.8 Å²	35.8	21%	0.211	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.1	169.7	-62.6	-175.3	175.1	139.2	-4.4	110.9	V409 Q410 I500 I518 W524 I525 E526	V409-R502 CarbonylContact C-O 3.59Å; V409-R502 WeakPolarHBondContact CA-O 3.19Å; Q410-R502 HydrophobicContact CB-CB 4.15Å; Q410-R502 PolarHBondContact N-O 3.17Å; Q410-R502 PolarHBondContact O-N 3.47Å; I500-R502 HydrophobicContact CG2-CG 4.27Å; R502-I518 HydrophobicContact CB-CD1 3.73Å; R502-W524 HydrophobicContact CG-CZ3 4.38Å; R502-I525 WeakPolarHBondContact CA-O 3.47Å; R502-E526 HydrophobicContact CG-CB 4.4Å; R502-E526 HydrophobicContact CG-CG 4.14Å; R502-E526 IonicContact CZ-OE2 3.26Å; R502-E526 IonicContact NE-OE2 3.38Å; R502-E526 PolarHBondContact NE-OE2 2.89Å; R502-E526 IonicContact NH2-OE2 3.7Å; R502-E526 PolarHBondContact NH2-OE2 2.82Å
503	M	98.7	Very high	94.5	Very high	3 Å²	3	36 Å²	36	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	124.6	-177.3	-173.6	-175.2	-44.6	0	0	111.5	V387 L389 V399 V407 F408 V409 W524 I525	V387-M503 HydrophobicContact CB-SD 4.36Å; V387-M503 HydrophobicContact CG1-SD 3.77Å; V387-M503 HydrophobicContact CG2-CE 4.3Å; V387-M503 HydrophobicContact CG2-SD 3.92Å; L389-M503 HydrophobicContact CD2-CE 3.8Å; V399-M503 HydrophobicContact CG1-CE 3.9Å; V399-M503 HydrophobicContact CG2-CE 3.78Å; V407-M503 HydrophobicContact CB-CG 3.95Å; V407-M503 HydrophobicContact CB-SD 3.86Å; V407-M503 HydrophobicContact CG1-SD 4.19Å; V407-M503 HydrophobicContact CG2-CG 4.25Å; V407-M503 HydrophobicContact CG2-SD 3.76Å; F408-M503 CarbonylContact O-C 3.51Å; F408-M503 VanDerWaalsContact O-CA 3.3Å; F408-M503 WeakPolarHBondContact O-CA 3.27Å; V409-M503 HydrophobicContact CG2-CB 4.22Å; V409-M503 HydrophobicContact CG2-CE 3.98Å; V409-M503 HydrophobicContact CG2-CG 3.8Å; V409-M503 HydrophobicContact CG2-SD 4.34Å; M503-W524 CarbonylContact O-C 3.59Å; M503-W524 VanDerWaalsContact O-CA 3.24Å; M503-W524 WeakPolarHBondContact O-CA 3.38Å; M503-W524 VanDerWaalsContact O-CB 3.28Å; M503-W524 WeakPolarHBondContact O-CB 3.41Å; M503-I525 HydrophobicContact CB-CD1 4.42Å; M503-I525 HydrophobicContact CB-CG1 3.94Å; M503-I525 PolarHBondContact N-O 2.69Å; M503-I525 PolarHBondContact O-N 3.37Å
504	S	98.8	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.6	169.7	-167.7	0	0	0	0	111.3	V407 F408 K507 T521 C523	V407-S504 WeakPolarHBondContact CA-O 3.38Å; F408-S504 PolarHBondContact N-O 2.87Å; F408-S504 PolarHBondContact O-N 2.75Å; S504-K507 PolarHBondContact OG-O 2.94Å; S504-K507 VanDerWaalsContact OG-O 3.13Å; S504-T521 WeakPolarHBondContact OG-CB 3.43Å; S504-T521 WeakPolarHBondContact OG-CG2 3.33Å; S504-T521 PolarHBondContact OG-OG1 3.08Å; S504-C523 PolarHBondContact OG-O 3.16Å
505	F	98.8	Very high	95.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.3	174.3	-61.8	-86	0	0	0	109.8	V350 L364 I383 V387 V407 K507 C523 I525	V350-F505 HydrophobicContact CG1-CZ 4.05Å; L364-F505 HydrophobicContact CD1-CE2 4.08Å; L364-F505 HydrophobicContact CD1-CZ 4.47Å; I383-F505 HydrophobicContact CG1-CB 3.99Å; I383-F505 HydrophobicContact CG1-CG 4.19Å; I383-F505 HydrophobicContact CG2-CD1 4.07Å; I383-F505 HydrophobicContact CG2-CE1 4.25Å; I383-F505 HydrophobicContact CG2-CG 4.42Å; V387-F505 HydrophobicContact CG1-CE1 4.14Å; V387-F505 HydrophobicContact CG2-CE1 4.05Å; V387-F505 HydrophobicContact CG2-CZ 4.24Å; V407-F505 HydrophobicContact CG1-CD1 3.83Å; V407-F505 HydrophobicContact CG1-CE1 4.36Å; F505-K507 PolarHBondContact O-N 2.86Å; F505-C523 PolarHBondContact N-O 3.32Å; F505-C523 VanDerWaalsContact N-O 3.1Å; F505-I525 HydrophobicContact CE2-CD1 4.27Å; F505-I525 HydrophobicContact CE2-CG1 4.13Å; F505-I525 HydrophobicContact CE2-CG2 4.1Å; F505-I525 HydrophobicContact CZ-CD1 4.11Å; F505-I525 HydrophobicContact CZ-CG1 4.44Å
506	V	98	Very high	95.8	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.097	21%	0.205	C	C	.	.	S	Bend	trans	68.9	-35.9	168.9	-167.2	0	0	0	0	115.6	H382 H405 A406	H382-V506 HydrophobicContact CB-CB 4.42Å; H382-V506 HydrophobicContact CB-CG1 3.87Å; H382-V506 HydrophobicContact CB-CG2 3.58Å; H405-V506 HydrophobicContact CB-CG2 4.3Å; A406-V506 PolarHBondContact O-N 3.34Å
507	K	98	Very high	95.8	Very high	87 Å²	87	38.3 Å²	38.3	38%	0.378	20%	0.196	S	C	.	.			trans	-128.7	118.5	-170.9	-54.6	-59.3	176.5	-162.8	0	112.3	F408 S504 F505 P522	F408-K507 VanDerWaalsContact CD2-C 3.47Å; S504-K507 PolarHBondContact OG-O 2.94Å; S504-K507 VanDerWaalsContact OG-O 3.13Å; F505-K507 PolarHBondContact O-N 2.86Å; K507-P522 HydrophobicContact CB-CG 4.41Å; K507-P522 HydrophobicContact CG-CG 3.86Å
508	G	96.7	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.			trans	-73.5	168	171.7	0	0	0	0	0	113.9	F408 R515	F408-G508 VanDerWaalsContact CD2-N 3.3Å; G508-R515 VanDerWaalsContact O-CZ 3.24Å; G508-R515 PolarHBondContact O-NE 3.46Å; G508-R515 PolarHBondContact O-NH2 3.24Å
509	W	97.5	Very high	96.1	Very high	15 Å²	15	39.8 Å²	39.8	6%	0.057	20%	0.203	C	C	.	.			trans	-134.7	172.9	171.8	73.5	92.4	0	0	0	109.4	F408 Q410 V426 Y513 R515 I518 T521	F408-W509 HydrophobicContact CB-CE3 4.22Å; F408-W509 HydrophobicContact CB-CH2 4.42Å; F408-W509 HydrophobicContact CB-CZ3 3.65Å; F408-W509 WeakPolarHBondContact O-CH2 3.47Å; F408-W509 VanDerWaalsContact O-CZ3 3.32Å; F408-W509 WeakPolarHBondContact O-CZ3 3.45Å; Q410-W509 HydrophobicContact CB-CH2 4.35Å; Q410-W509 HydrophobicContact CB-CZ2 4.06Å; V426-W509 HydrophobicContact CB-CZ2 4.46Å; V426-W509 HydrophobicContact CG1-CD2 4.37Å; V426-W509 HydrophobicContact CG1-CE3 4.26Å; V426-W509 HydrophobicContact CG1-CH2 3.94Å; V426-W509 HydrophobicContact CG1-CZ2 4.04Å; V426-W509 HydrophobicContact CG1-CZ3 4.06Å; V426-W509 HydrophobicContact CG2-CD2 4.1Å; V426-W509 VanDerWaalsContact CG2-CE2 3.5Å; V426-W509 HydrophobicContact CG2-CG 4.44Å; V426-W509 HydrophobicContact CG2-CH2 4.42Å; V426-W509 HydrophobicContact CG2-CZ2 3.68Å; V426-W509 WeakPolarHBondContact CG2-O 3.41Å; W509-Y513 VanDerWaalsContact O-CD2 3.29Å; W509-Y513 WeakPolarHBondContact O-CD2 3.37Å; W509-R515 CarbonylContact C-O 3.54Å; W509-R515 VanDerWaalsContact CA-O 3.26Å; W509-R515 WeakPolarHBondContact CA-O 3.39Å; W509-R515 HydrophobicContact CB-CB 4.1Å; W509-R515 WeakPolarHBondContact CB-O 3.5Å; W509-I518 HydrophobicContact CD2-CB 3.81Å; W509-I518 HydrophobicContact CD2-CG1 4.14Å; W509-I518 HydrophobicContact CE3-CB 3.99Å; W509-I518 HydrophobicContact CE3-CD1 4.27Å; W509-I518 HydrophobicContact CE3-CG1 3.76Å; W509-I518 HydrophobicContact CG-CB 4.34Å; W509-I518 HydrophobicContact CH2-CB 4.35Å; W509-I518 HydrophobicContact CH2-CD1 3.71Å; W509-I518 HydrophobicContact CH2-CG1 4.08Å; W509-I518 HydrophobicContact CZ2-CB 4.19Å; W509-I518 HydrophobicContact CZ2-CD1 4.27Å; W509-I518 HydrophobicContact CZ2-CG1 4.43Å; W509-I518 HydrophobicContact CZ3-CB 4.24Å; W509-I518 HydrophobicContact CZ3-CD1 3.7Å; W509-I518 HydrophobicContact CZ3-CG1 3.72Å; W509-T521 HydrophobicContact CB-CG2 4.09Å; W509-T521 HydrophobicContact CE3-CG2 4.12Å
510	G	91.9	Very high	96.1	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	109.5	-176.1	-177.7	0	0	0	0	0	112.3	D512 Y513 R515	G510-D512 PolarHBondContact O-N 3.36Å; G510-D512 VanDerWaalsContact O-N 3.14Å; G510-Y513 PolarHBondContact O-N 3.38Å; G510-R515 PolarHBondContact N-O 3.34Å
511	P	89.1	Confident	96.1	Very high	86 Å²	86	41.9 Å²	41.9	56%	0.558	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.9	-172.6	-27.1	35.8	0	0	0	114.7	H287 Y513	H287-P511 HydrophobicContact CB-CG 4.15Å; H287-P511 VanDerWaalsContact CD2-CD 3.44Å; H287-P511 WeakPolarHBondContact CD2-CD 3.26Å; H287-P511 VanDerWaalsContact CG-CD 3.49Å; P511-Y513 PolarHBondContact O-N 2.82Å
512	D	90.4	Very high	96.1	Very high	97 Å²	97	42.2 Å²	42.2	52%	0.519	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.8	179.7	-54.8	-66	0	0	0	113.7	L288 G510	L288-D512 PolarHBondContact N-OD2 2.84Å; G510-D512 PolarHBondContact O-N 3.36Å; G510-D512 VanDerWaalsContact O-N 3.14Å
513	Y	93.4	Very high	96.1	Very high	50 Å²	50	39.6 Å²	39.6	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	-130.9	156.4	-174.5	-68.9	-71.2	0	0	0	113.3	L288 F408 W509 G510 P511 R515 Q516	L288-Y513 HydrophobicContact CD1-CE2 3.97Å; L288-Y513 HydrophobicContact CD2-CE2 4.09Å; L288-Y513 VanDerWaalsContact CD2-OH 3.25Å; L288-Y513 WeakPolarHBondContact CD2-OH 3.26Å; F408-Y513 HydrophobicContact CE1-CE2 4.23Å; F408-Y513 AromaticContact CE1-CZ 3.85Å; F408-Y513 VanDerWaalsContact CE1-OH 3.31Å; F408-Y513 WeakPolarHBondContact CE1-OH 3.45Å; W509-Y513 VanDerWaalsContact O-CD2 3.29Å; W509-Y513 WeakPolarHBondContact O-CD2 3.37Å; G510-Y513 PolarHBondContact O-N 3.38Å; P511-Y513 PolarHBondContact O-N 2.82Å; Y513-R515 PolarHBondContact O-N 2.86Å; Y513-R515 VanDerWaalsContact O-N 3.08Å; Y513-Q516 PolarHBondContact O-NE2 2.86Å
514	P	94.5	Very high	96.1	Very high	114 Å²	114	39.6 Å²	39.6	74%	0.74	21%	0.205	S	C	*	.	S	Bend	trans	-63.2	-12	172.4	-23.7	34.5	0	0	0	115.2
515	R	97	Very high	96.1	Very high	53 Å²	53	39.6 Å²	39.6	20%	0.2	21%	0.205	C	C	.	.			trans	-109	125.4	-178.5	-70.3	166.2	-65.7	-68.9	-12.9	108.7	G508 W509 G510 Y513 E520	G508-R515 VanDerWaalsContact O-CZ 3.24Å; G508-R515 PolarHBondContact O-NE 3.46Å; G508-R515 PolarHBondContact O-NH2 3.24Å; W509-R515 CarbonylContact C-O 3.54Å; W509-R515 VanDerWaalsContact CA-O 3.26Å; W509-R515 WeakPolarHBondContact CA-O 3.39Å; W509-R515 HydrophobicContact CB-CB 4.1Å; W509-R515 WeakPolarHBondContact CB-O 3.5Å; G510-R515 PolarHBondContact N-O 3.34Å; Y513-R515 PolarHBondContact O-N 2.86Å; Y513-R515 VanDerWaalsContact O-N 3.08Å; R515-E520 VanDerWaalsContact CA-OE2 3.31Å; R515-E520 WeakPolarHBondContact CA-OE2 3.47Å; R515-E520 HydrophobicContact CB-CB 3.91Å; R515-E520 WeakPolarHBondContact CD-O 3.37Å; R515-E520 HydrophobicContact CG-CB 3.83Å; R515-E520 WeakPolarHBondContact CG-O 3.37Å
516	Q	93	Very high	96.1	Very high	95 Å²	95	40.8 Å²	40.8	44%	0.444	21%	0.211	S	C	.	.	S	Bend	trans	-83.1	-34.4	-176.1	-59.4	-55.6	-62.3	0	0	112.2	Y513 E520	Y513-Q516 PolarHBondContact O-NE2 2.86Å; Q516-E520 PolarHBondContact N-OE1 3.33Å; Q516-E520 PolarHBondContact N-OE2 3.45Å
517	S	94.6	Very high	96.2	Very high	36 Å²	36	40 Å²	40	25%	0.252	21%	0.206	S	C	.	.	S	Bend	trans	-125	160.1	-179	71.3	0	0	0	0	112.8	K519 E520	S517-K519 PolarHBondContact O-N 3.28Å; S517-E520 WeakPolarHBondContact CB-OE1 3.4Å; S517-E520 PolarHBondContact N-OE1 2.98Å; S517-E520 PolarHBondContact O-N 2.82Å; S517-E520 VanDerWaalsContact O-N 3.08Å; S517-E520 PolarHBondContact OG-OE1 3.19Å
518	I	97.5	Very high	96.2	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.036	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.5	-28.1	174.9	-162.1	176.1	0	0	0	112.5	R502 W509 E520 T521 W524	R502-I518 HydrophobicContact CB-CD1 3.73Å; W509-I518 HydrophobicContact CD2-CB 3.81Å; W509-I518 HydrophobicContact CD2-CG1 4.14Å; W509-I518 HydrophobicContact CE3-CB 3.99Å; W509-I518 HydrophobicContact CE3-CD1 4.27Å; W509-I518 HydrophobicContact CE3-CG1 3.76Å; W509-I518 HydrophobicContact CG-CB 4.34Å; W509-I518 HydrophobicContact CH2-CB 4.35Å; W509-I518 HydrophobicContact CH2-CD1 3.71Å; W509-I518 HydrophobicContact CH2-CG1 4.08Å; W509-I518 HydrophobicContact CZ2-CB 4.19Å; W509-I518 HydrophobicContact CZ2-CD1 4.27Å; W509-I518 HydrophobicContact CZ2-CG1 4.43Å; W509-I518 HydrophobicContact CZ3-CB 4.24Å; W509-I518 HydrophobicContact CZ3-CD1 3.7Å; W509-I518 HydrophobicContact CZ3-CG1 3.72Å; I518-E520 PolarHBondContact O-N 3.18Å; I518-T521 HydrophobicContact CG1-CG2 4.4Å; I518-T521 VanDerWaalsContact O-CB 3.31Å; I518-T521 WeakPolarHBondContact O-CB 3.39Å; I518-T521 WeakPolarHBondContact O-CG2 3.4Å; I518-T521 PolarHBondContact O-N 2.91Å; I518-T521 PolarHBondContact O-OG1 3.29Å; I518-W524 HydrophobicContact CD1-CB 3.98Å; I518-W524 HydrophobicContact CD1-CD2 3.94Å; I518-W524 HydrophobicContact CD1-CE3 3.66Å; I518-W524 HydrophobicContact CD1-CG 4.12Å; I518-W524 HydrophobicContact CD1-CZ3 4.47Å; I518-W524 HydrophobicContact CG1-CB 3.99Å; I518-W524 HydrophobicContact CG1-CD2 3.85Å; I518-W524 HydrophobicContact CG1-CE3 4.05Å; I518-W524 HydrophobicContact CG1-CG 3.84Å; I518-W524 HydrophobicContact CG2-CD2 4.35Å; I518-W524 HydrophobicContact CG2-CE3 4.2Å; I518-W524 HydrophobicContact CG2-CH2 4.38Å; I518-W524 HydrophobicContact CG2-CZ3 4.2Å; I518-W524 PolarHBondContact O-NE1 2.84Å
519	K	97.9	Very high	96.3	Very high	88 Å²	88	37.5 Å²	37.5	38%	0.383	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-66.8	-11.7	176	-59.2	-172.1	178.6	-173.1	0	113.5	M331 D332 S517 W524	M331-K519 CarbonylContact C-O 3.57Å; M331-K519 VanDerWaalsContact CA-O 3.23Å; M331-K519 WeakPolarHBondContact CA-O 3.33Å; D332-K519 HydrophobicContact CB-CB 4.32Å; D332-K519 PolarHBondContact N-O 3.33Å; S517-K519 PolarHBondContact O-N 3.28Å; K519-W524 HydrophobicContact CG-CH2 4.47Å; K519-W524 HydrophobicContact CG-CZ2 3.97Å
520	E	97.5	Very high	96.3	Very high	64 Å²	64	38.8 Å²	38.8	30%	0.299	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-95.4	1.8	171.1	-63.2	151.2	-114.3	0	0	112.4	R515 Q516 S517 I518	R515-E520 VanDerWaalsContact CA-OE2 3.31Å; R515-E520 WeakPolarHBondContact CA-OE2 3.47Å; R515-E520 HydrophobicContact CB-CB 3.91Å; R515-E520 WeakPolarHBondContact CD-O 3.37Å; R515-E520 HydrophobicContact CG-CB 3.83Å; R515-E520 WeakPolarHBondContact CG-O 3.37Å; Q516-E520 PolarHBondContact N-OE1 3.33Å; Q516-E520 PolarHBondContact N-OE2 3.45Å; S517-E520 WeakPolarHBondContact CB-OE1 3.4Å; S517-E520 PolarHBondContact N-OE1 2.98Å; S517-E520 PolarHBondContact O-N 2.82Å; S517-E520 VanDerWaalsContact O-N 3.08Å; S517-E520 PolarHBondContact OG-OE1 3.19Å; I518-E520 PolarHBondContact O-N 3.18Å
521	T	98.3	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-86.5	143.1	177.4	72.4	0	0	0	0	110.9	M331 S504 W509 I518 C523 W524	M331-T521 WeakPolarHBondContact CA-O 3.32Å; M331-T521 PolarHBondContact N-O 3.31Å; M331-T521 VanDerWaalsContact N-O 3.16Å; S504-T521 WeakPolarHBondContact OG-CB 3.43Å; S504-T521 WeakPolarHBondContact OG-CG2 3.33Å; S504-T521 PolarHBondContact OG-OG1 3.08Å; W509-T521 HydrophobicContact CB-CG2 4.09Å; W509-T521 HydrophobicContact CE3-CG2 4.12Å; I518-T521 HydrophobicContact CG1-CG2 4.4Å; I518-T521 VanDerWaalsContact O-CB 3.31Å; I518-T521 WeakPolarHBondContact O-CB 3.39Å; I518-T521 WeakPolarHBondContact O-CG2 3.4Å; I518-T521 PolarHBondContact O-N 2.91Å; I518-T521 PolarHBondContact O-OG1 3.29Å; T521-C523 VanDerWaalsContact C-N 3.3Å; T521-C523 PolarHBondContact O-N 3.16Å; T521-W524 VanDerWaalsContact OG1-CD1 3.23Å
522	P	98.4	Very high	97	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	18%	0.177	C	C	.	.	S	Bend	trans	-67.1	-28.3	-170.1	24.9	-34.8	0	0	0	114	E330 I376 A379 K507	E330-P522 WeakPolarHBondContact CA-O 3.47Å; I376-P522 HydrophobicContact CB-CB 4.39Å; I376-P522 HydrophobicContact CG1-CB 3.96Å; I376-P522 WeakPolarHBondContact CG2-O 3.28Å; A379-P522 HydrophobicContact CB-CB 3.61Å; A379-P522 HydrophobicContact CB-CG 3.36Å; K507-P522 HydrophobicContact CB-CG 4.41Å; K507-P522 HydrophobicContact CG-CG 3.86Å
523	C	98.6	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-155.3	120.6	-179.5	45.7	0	0	0	0	110.9	Y328 F329 I383 S504 F505 T521	Y328-C523 HydrophobicContact CE2-CB 3.89Å; Y328-C523 WeakPolarHBondContact OH-CB 3.44Å; F329-C523 WeakPolarHBondContact O-CA 3.32Å; I383-C523 HydrophobicContact CD1-CB 4.36Å; S504-C523 PolarHBondContact OG-O 3.16Å; F505-C523 PolarHBondContact N-O 3.32Å; F505-C523 VanDerWaalsContact N-O 3.1Å; T521-C523 VanDerWaalsContact C-N 3.3Å; T521-C523 PolarHBondContact O-N 3.16Å
524	W	98.9	Very high	97.5	Very high	4 Å²	4	33 Å²	33	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	165.6	-178	61.7	-78.4	0	0	0	111.8	Y328 F329 M331 R502 M503 I518 K519 T521 E526	Y328-W524 VanDerWaalsContact CD2-O 3.27Å; Y328-W524 WeakPolarHBondContact CD2-O 3.36Å; F329-W524 HydrophobicContact CB-CD2 3.81Å; F329-W524 HydrophobicContact CB-CE3 4.47Å; F329-W524 HydrophobicContact CB-CG 4.14Å; F329-W524 HydrophobicContact CB-CH2 4.28Å; F329-W524 HydrophobicContact CB-CZ2 3.6Å; F329-W524 HydrophobicContact CD1-CH2 4.13Å; F329-W524 AromaticContact CD1-CZ2 3.81Å; F329-W524 HydrophobicContact CD1-CZ2 3.81Å; F329-W524 HydrophobicContact CD2-CD2 4.33Å; F329-W524 HydrophobicContact CD2-CE3 4.15Å; F329-W524 AromaticContact CD2-CH2 3.73Å; F329-W524 HydrophobicContact CD2-CH2 3.73Å; F329-W524 AromaticContact CD2-CZ2 3.93Å; F329-W524 HydrophobicContact CD2-CZ2 3.93Å; F329-W524 AromaticContact CD2-CZ3 3.86Å; F329-W524 HydrophobicContact CD2-CZ3 3.86Å; F329-W524 HydrophobicContact CE1-CH2 4.41Å; F329-W524 HydrophobicContact CE1-CZ2 4.48Å; F329-W524 HydrophobicContact CE2-CH2 4.03Å; F329-W524 HydrophobicContact CE2-CZ3 4.22Å; F329-W524 HydrophobicContact CG-CD2 4.29Å; F329-W524 AromaticContact CG-CE2 3.79Å; F329-W524 AromaticContact CG-CH2 3.79Å; F329-W524 HydrophobicContact CG-CH2 3.79Å; F329-W524 AromaticContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ3 4.3Å; F329-W524 HydrophobicContact CZ-CH2 4.38Å; F329-W524 PolarHBondContact N-O 3.24Å; F329-W524 PolarHBondContact O-N 3.39Å; M331-W524 PolarHBondContact O-NE1 2.85Å; R502-W524 HydrophobicContact CG-CZ3 4.38Å; M503-W524 CarbonylContact O-C 3.59Å; M503-W524 VanDerWaalsContact O-CA 3.24Å; M503-W524 WeakPolarHBondContact O-CA 3.38Å; M503-W524 VanDerWaalsContact O-CB 3.28Å; M503-W524 WeakPolarHBondContact O-CB 3.41Å; I518-W524 HydrophobicContact CD1-CB 3.98Å; I518-W524 HydrophobicContact CD1-CD2 3.94Å; I518-W524 HydrophobicContact CD1-CE3 3.66Å; I518-W524 HydrophobicContact CD1-CG 4.12Å; I518-W524 HydrophobicContact CD1-CZ3 4.47Å; I518-W524 HydrophobicContact CG1-CB 3.99Å; I518-W524 HydrophobicContact CG1-CD2 3.85Å; I518-W524 HydrophobicContact CG1-CE3 4.05Å; I518-W524 HydrophobicContact CG1-CG 3.84Å; I518-W524 HydrophobicContact CG2-CD2 4.35Å; I518-W524 HydrophobicContact CG2-CE3 4.2Å; I518-W524 HydrophobicContact CG2-CH2 4.38Å; I518-W524 HydrophobicContact CG2-CZ3 4.2Å; I518-W524 PolarHBondContact O-NE1 2.84Å; K519-W524 HydrophobicContact CG-CH2 4.47Å; K519-W524 HydrophobicContact CG-CZ2 3.97Å; T521-W524 VanDerWaalsContact OG1-CD1 3.23Å; W524-E526 HydrophobicContact CZ3-CB 4.09Å
525	I	98.9	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.9	177.6	53.6	173.4	0	0	0	111.6	I326 A327 Y328 V350 R502 M503 F505 I527	I326-I525 HydrophobicContact CG2-CB 3.89Å; I326-I525 HydrophobicContact CG2-CD1 4.18Å; I326-I525 HydrophobicContact CG2-CG2 3.9Å; A327-I525 CarbonylContact O-C 3.5Å; A327-I525 VanDerWaalsContact O-CA 3.27Å; A327-I525 WeakPolarHBondContact O-CA 3.5Å; Y328-I525 HydrophobicContact CD2-CG2 3.96Å; V350-I525 HydrophobicContact CG1-CD1 4.38Å; V350-I525 HydrophobicContact CG2-CD1 4.49Å; R502-I525 WeakPolarHBondContact CA-O 3.47Å; M503-I525 HydrophobicContact CB-CD1 4.42Å; M503-I525 HydrophobicContact CB-CG1 3.94Å; M503-I525 PolarHBondContact N-O 2.69Å; M503-I525 PolarHBondContact O-N 3.37Å; F505-I525 HydrophobicContact CE2-CD1 4.27Å; F505-I525 HydrophobicContact CE2-CG1 4.13Å; F505-I525 HydrophobicContact CE2-CG2 4.1Å; F505-I525 HydrophobicContact CZ-CD1 4.11Å; F505-I525 HydrophobicContact CZ-CG1 4.44Å; I525-I527 HydrophobicContact CD1-CD1 3.97Å; I525-I527 HydrophobicContact CD1-CG1 4.14Å; I525-I527 HydrophobicContact CG1-CD1 4.39Å; I525-I527 HydrophobicContact CG1-CG1 4.44Å
526	E	98.8	Very high	97.5	Very high	26 Å²	26	25.4 Å²	25.4	12%	0.121	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.7	166.9	-174.8	168.8	80	0	0	109.3	I326 A327 F329 I500 R502 W524 H528	I326-E526 WeakPolarHBondContact CA-O 3.43Å; A327-E526 PolarHBondContact N-O 2.94Å; A327-E526 PolarHBondContact O-N 2.96Å; F329-E526 HydrophobicContact CE2-CB 3.99Å; I500-E526 HydrophobicContact CG2-CG 3.61Å; R502-E526 HydrophobicContact CG-CB 4.4Å; R502-E526 HydrophobicContact CG-CG 4.14Å; R502-E526 IonicContact CZ-OE2 3.26Å; R502-E526 IonicContact NE-OE2 3.38Å; R502-E526 PolarHBondContact NE-OE2 2.89Å; R502-E526 IonicContact NH2-OE2 3.7Å; R502-E526 PolarHBondContact NH2-OE2 2.82Å; W524-E526 HydrophobicContact CZ3-CB 4.09Å; E526-H528 IonicContact OE1-CE1 3.65Å; E526-H528 PolarHBondContact OE1-CE1 3.16Å; E526-H528 VanDerWaalsContact OE1-CE1 3.25Å; E526-H528 IonicContact OE1-ND1 3.38Å
527	I	98.8	Very high	97.5	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	113	-173.4	-54.2	150.2	0	0	0	107.8	C324 S325 I326 L389 I500 L501 I525 L529	C324-I527 HydrophobicContact CB-CG2 4.01Å; S325-I527 CarbonylContact O-C 3.59Å; S325-I527 WeakPolarHBondContact O-CA 3.47Å; I326-I527 HydrophobicContact CG1-CG1 4.32Å; I326-I527 HydrophobicContact CG1-CG2 4.41Å; I326-I527 HydrophobicContact CG2-CG1 4.36Å; L389-I527 HydrophobicContact CD1-CD1 3.63Å; L389-I527 HydrophobicContact CD1-CG1 4.02Å; L389-I527 HydrophobicContact CD1-CG2 4.32Å; L389-I527 HydrophobicContact CD2-CD1 4.21Å; I500-I527 WeakPolarHBondContact CA-O 3.27Å; L501-I527 HydrophobicContact CB-CB 4.25Å; L501-I527 HydrophobicContact CB-CD1 4.17Å; L501-I527 PolarHBondContact N-O 2.96Å; L501-I527 PolarHBondContact O-N 3.35Å; I525-I527 HydrophobicContact CD1-CD1 3.97Å; I525-I527 HydrophobicContact CD1-CG1 4.14Å; I525-I527 HydrophobicContact CG1-CD1 4.39Å; I525-I527 HydrophobicContact CG1-CG1 4.44Å; I527-L529 HydrophobicContact CG2-CD2 3.92Å
528	H	98.7	Very high	97.4	Very high	29 Å²	29	25.4 Å²	25.4	13%	0.134	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.7	174.6	-77.4	76.5	0	0	0	110	C324 S325 R496 I500 E526 H530 L533	C324-H528 CarbonylContact C-O 3.57Å; C324-H528 WeakPolarHBondContact CA-O 3.32Å; C324-H528 VanDerWaalsContact CB-O 3.24Å; C324-H528 WeakPolarHBondContact CB-O 3.24Å; S325-H528 PolarHBondContact N-O 2.78Å; S325-H528 PolarHBondContact O-N 2.82Å; R496-H528 PolarHBondContact NH2-NE2 3.34Å; I500-H528 WeakPolarHBondContact CD1-NE2 3.49Å; E526-H528 IonicContact OE1-CE1 3.65Å; E526-H528 PolarHBondContact OE1-CE1 3.16Å; E526-H528 VanDerWaalsContact OE1-CE1 3.25Å; E526-H528 IonicContact OE1-ND1 3.38Å; H528-H530 PolarHBondContact O-CD2 3.06Å; H528-L533 HydrophobicContact CB-CD1 4.1Å
529	L	98.6	Very high	97.1	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107.3	-177.8	-57.5	-179.5	0	0	0	110.6	W323 C324 V397 F438 C499 L501 I527 R531 A532 L533	W323-L529 HydrophobicContact CZ3-CD2 4.16Å; C324-L529 HydrophobicContact CB-CD2 4.11Å; V397-L529 HydrophobicContact CG2-CD1 3.95Å; V397-L529 HydrophobicContact CG2-CD2 3.79Å; F438-L529 HydrophobicContact CB-CD1 4.2Å; F438-L529 HydrophobicContact CD1-CD1 3.63Å; F438-L529 HydrophobicContact CD2-CD1 3.53Å; F438-L529 HydrophobicContact CE1-CD1 3.77Å; F438-L529 HydrophobicContact CE2-CD1 3.68Å; F438-L529 HydrophobicContact CG-CD1 3.5Å; F438-L529 HydrophobicContact CZ-CD1 3.8Å; C499-L529 WeakPolarHBondContact O-CB 3.36Å; C499-L529 PolarHBondContact O-N 3.1Å; L501-L529 HydrophobicContact CD1-CD1 4.11Å; L501-L529 HydrophobicContact CG-CD1 4.27Å; I527-L529 HydrophobicContact CG2-CD2 3.92Å; L529-R531 PolarHBondContact O-N 3.17Å; L529-A532 HydrophobicContact CB-CB 4.05Å; L529-A532 PolarHBondContact O-N 2.86Å; L529-L533 WeakPolarHBondContact O-CG 3.1Å; L529-L533 PolarHBondContact O-N 3Å
530	H	98.3	Very high	96.7	Very high	41 Å²	41	23.6 Å²	23.6	19%	0.19	12%	0.116	C	C	.	.	H	α-helix	trans	-68.9	-38.6	-166.7	-72.6	-167	0	0	0	113.3	P320 Y322 W323 S325 H528 A532 L533 Q534	P320-H530 HydrophobicContact CB-CB 3.96Å; P320-H530 HydrophobicContact CG-CB 3.9Å; Y322-H530 WeakPolarHBondContact O-CB 3.48Å; Y322-H530 VanDerWaalsContact O-CG 3.27Å; Y322-H530 PolarHBondContact O-ND1 3.36Å; W323-H530 PolarHBondContact O-N 3.11Å; S325-H530 WeakPolarHBondContact CB-NE2 3.42Å; S325-H530 PolarHBondContact N-NE2 2.86Å; S325-H530 PolarHBondContact OG-CE1 2.98Å; S325-H530 PolarHBondContact OG-NE2 2.84Å; H528-H530 PolarHBondContact O-CD2 3.06Å; H530-A532 VanDerWaalsContact C-N 3.3Å; H530-A532 PolarHBondContact O-N 3.08Å; H530-L533 PolarHBondContact O-N 3.35Å; H530-Q534 WeakPolarHBondContact O-CG 3.38Å; H530-Q534 PolarHBondContact O-N 3.12Å
531	R	97.9	Very high	96.2	Very high	19 Å²	19	26 Å²	26	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-36.4	175.7	-176.4	56.3	170.8	-171	-3.6	111.9	S315 H317 P318 P320 E394 L440 L529 Q534 L535	S315-R531 PolarHBondContact O-NH2 3.23Å; H317-R531 PolarHBondContact O-NH1 3.21Å; H317-R531 PolarHBondContact O-NH2 3.25Å; P318-R531 PolarHBondContact O-NH1 3.08Å; P320-R531 HydrophobicContact CG-CB 4.47Å; E394-R531 HydrophobicContact CG-CG 4.43Å; E394-R531 IonicContact OE1-CZ 3.2Å; E394-R531 IonicContact OE1-NE 3.01Å; E394-R531 PolarHBondContact OE1-NE 2.85Å; E394-R531 VanDerWaalsContact OE1-NE 3.13Å; E394-R531 IonicContact OE1-NH2 2.82Å; E394-R531 PolarHBondContact OE1-NH2 3.46Å; L440-R531 HydrophobicContact CD1-CB 4.48Å; L440-R531 HydrophobicContact CD1-CG 4.2Å; L440-R531 HydrophobicContact CD2-CG 3.64Å; L529-R531 PolarHBondContact O-N 3.17Å; R531-Q534 PolarHBondContact O-N 3.38Å; R531-L535 WeakPolarHBondContact O-CG 3.48Å; R531-L535 PolarHBondContact O-N 2.75Å; R531-L535 VanDerWaalsContact O-N 3.11Å
532	A	97.9	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-37.3	173.9	0	0	0	0	0	111.8	F438 L440 M447 C499 L529 H530 L535 L536	F438-A532 HydrophobicContact CE1-CB 4.42Å; F438-A532 HydrophobicContact CZ-CB 3.75Å; L440-A532 HydrophobicContact CD1-CB 3.91Å; M447-A532 HydrophobicContact CE-CB 4.16Å; M447-A532 WeakPolarHBondContact CE-O 3.34Å; C499-A532 HydrophobicContact CB-CB 3.86Å; C499-A532 PolarHBondContact SG-O 2.83Å; L529-A532 HydrophobicContact CB-CB 4.05Å; L529-A532 PolarHBondContact O-N 2.86Å; H530-A532 VanDerWaalsContact C-N 3.3Å; H530-A532 PolarHBondContact O-N 3.08Å; A532-L535 PolarHBondContact O-N 3.46Å; A532-L536 WeakPolarHBondContact O-CB 3.43Å; A532-L536 PolarHBondContact O-N 2.89Å
533	L	97.4	Very high	94.4	Very high	46 Å²	46	33 Å²	33	24%	0.241	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-36.4	174.5	-68.4	167.4	0	0	0	112.9	R496 C499 H528 L529 H530 L536 D537	R496-L533 HydrophobicContact CG-CD2 4.23Å; C499-L533 HydrophobicContact CB-CD2 3.61Å; C499-L533 HydrophobicContact CB-CG 3.84Å; H528-L533 HydrophobicContact CB-CD1 4.1Å; L529-L533 WeakPolarHBondContact O-CG 3.1Å; L529-L533 PolarHBondContact O-N 3Å; H530-L533 PolarHBondContact O-N 3.35Å; L533-L536 PolarHBondContact O-N 2.75Å; L533-D537 PolarHBondContact O-N 3.16Å
534	Q	96.1	Very high	92.9	Very high	50 Å²	50	37.1 Å²	37.1	23%	0.234	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-49.1	170.5	-73.7	179.2	-39.2	0	0	111.3	P318 H530 R531 L536 D537 E538	P318-Q534 PolarHBondContact O-NE2 2.99Å; P318-Q534 VanDerWaalsContact O-NE2 3.15Å; H530-Q534 WeakPolarHBondContact O-CG 3.38Å; H530-Q534 PolarHBondContact O-N 3.12Å; R531-Q534 PolarHBondContact O-N 3.38Å; Q534-L536 VanDerWaalsContact C-N 3.27Å; Q534-L536 PolarHBondContact O-N 2.98Å; Q534-D537 WeakPolarHBondContact O-CB 3.36Å; Q534-D537 PolarHBondContact O-N 3.39Å; Q534-D537 VanDerWaalsContact O-N 3.12Å; Q534-E538 PolarHBondContact O-N 2.89Å
535	L	96.1	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-33.4	178.1	-67.4	176	0	0	0	112.5	I314 S315 L440 H444 R531 A532 V539	I314-L535 HydrophobicContact CB-CD1 4.26Å; I314-L535 HydrophobicContact CB-CD2 4.42Å; I314-L535 HydrophobicContact CD1-CD1 4.17Å; I314-L535 HydrophobicContact CG2-CD1 3.82Å; I314-L535 HydrophobicContact CG2-CD2 3.88Å; S315-L535 VanDerWaalsContact CB-CD2 3.45Å; L440-L535 HydrophobicContact CD1-CD1 3.9Å; L440-L535 HydrophobicContact CD2-CD1 4.15Å; L440-L535 HydrophobicContact CG-CD1 3.92Å; H444-L535 HydrophobicContact CB-CD1 4.2Å; R531-L535 WeakPolarHBondContact O-CG 3.48Å; R531-L535 PolarHBondContact O-N 2.75Å; R531-L535 VanDerWaalsContact O-N 3.11Å; A532-L535 PolarHBondContact O-N 3.46Å; L535-V539 VanDerWaalsContact O-CG2 3.31Å; L535-V539 WeakPolarHBondContact O-CG2 3.35Å; L535-V539 PolarHBondContact O-N 2.85Å
536	L	95	Very high	89.3	Confident	8 Å²	8	46 Å²	46	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-44.9	172.1	177	55.7	0	0	0	111.3	M447 L495 R496 A532 L533 Q534 E538 V539 L540	M447-L536 HydrophobicContact CE-CB 4.5Å; M447-L536 HydrophobicContact CG-CD1 4.35Å; M447-L536 HydrophobicContact SD-CB 3.66Å; M447-L536 HydrophobicContact SD-CD1 4.15Å; M447-L536 HydrophobicContact SD-CG 4.46Å; L495-L536 HydrophobicContact CB-CD1 3.62Å; L495-L536 HydrophobicContact CB-CD2 4.2Å; L495-L536 HydrophobicContact CD1-CD1 4.07Å; L495-L536 HydrophobicContact CG-CD1 4.31Å; R496-L536 HydrophobicContact CB-CD2 4.12Å; A532-L536 WeakPolarHBondContact O-CB 3.43Å; A532-L536 PolarHBondContact O-N 2.89Å; L533-L536 PolarHBondContact O-N 2.75Å; Q534-L536 VanDerWaalsContact C-N 3.27Å; Q534-L536 PolarHBondContact O-N 2.98Å; L536-E538 VanDerWaalsContact C-N 3.35Å; L536-E538 PolarHBondContact O-N 3.03Å; L536-V539 PolarHBondContact O-N 2.81Å; L536-L540 HydrophobicContact CD1-CD1 4.11Å; L536-L540 HydrophobicContact CD1-CD2 4.46Å; L536-L540 HydrophobicContact CD1-CG 4.01Å; L536-L540 HydrophobicContact CG-CD1 4.05Å; L536-L540 HydrophobicContact CG-CG 4.39Å; L536-L540 VanDerWaalsContact O-CG 3.3Å; L536-L540 WeakPolarHBondContact O-CG 3.38Å; L536-L540 PolarHBondContact O-N 3.49Å
537	D	93.5	Very high	87.4	Confident	87 Å²	87	50.8 Å²	50.8	47%	0.465	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.1	-169.7	71.1	0	0	0	111.6	L533 Q534 L540 H541	L533-D537 PolarHBondContact O-N 3.16Å; Q534-D537 WeakPolarHBondContact O-CB 3.36Å; Q534-D537 PolarHBondContact O-N 3.39Å; Q534-D537 VanDerWaalsContact O-N 3.12Å; D537-L540 PolarHBondContact O-N 3.31Å; D537-H541 PolarHBondContact O-N 3.49Å; D537-H541 PolarHBondContact O-ND1 2.61Å; D537-H541 IonicContact OD1-CE1 2.7Å; D537-H541 PolarHBondContact OD1-CE1 2.68Å; D537-H541 IonicContact OD1-ND1 3.78Å; D537-H541 IonicContact OD2-CE1 3.79Å; D537-H541 PolarHBondContact OD2-CE1 2.74Å; D537-H541 IonicContact OD2-ND1 2.68Å; D537-H541 PolarHBondContact OD2-ND1 3.04Å
538	E	92.5	Very high	85.4	Confident	44 Å²	44	54.5 Å²	54.5	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-57.1	-49.2	171.2	-70.6	175	-126.3	0	0	111.7	S315 H317 Q534 L536 L540 H541 T542	S315-E538 WeakPolarHBondContact CB-OE1 3.31Å; S315-E538 VanDerWaalsContact CB-OE2 3.27Å; S315-E538 WeakPolarHBondContact CB-OE2 3.43Å; S315-E538 PolarHBondContact OG-OE1 2.94Å; S315-E538 PolarHBondContact OG-OE2 2.87Å; H317-E538 IonicContact CD2-OE1 3.87Å; H317-E538 PolarHBondContact CD2-OE1 3.15Å; H317-E538 IonicContact CD2-OE2 3.25Å; H317-E538 IonicContact CG-OE1 3.75Å; Q534-E538 PolarHBondContact O-N 2.89Å; L536-E538 VanDerWaalsContact C-N 3.35Å; L536-E538 PolarHBondContact O-N 3.03Å; E538-L540 VanDerWaalsContact C-N 3.35Å; E538-L540 PolarHBondContact O-N 2.8Å; E538-H541 PolarHBondContact O-N 2.9Å; E538-T542 WeakPolarHBondContact O-CG2 3.25Å; E538-T542 PolarHBondContact O-N 3.47Å; E538-T542 VanDerWaalsContact O-N 3.07Å
539	V	91.4	Very high	83.4	Confident	8 Å²	8	60.1 Å²	60.1	5%	0.048	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-44	178.1	167.5	0	0	0	0	111.4	Q448 A451 L535 L536 T542 M543	Q448-V539 HydrophobicContact CG-CG2 3.87Å; A451-V539 HydrophobicContact CB-CG1 3.68Å; L535-V539 VanDerWaalsContact O-CG2 3.31Å; L535-V539 WeakPolarHBondContact O-CG2 3.35Å; L535-V539 PolarHBondContact O-N 2.85Å; L536-V539 PolarHBondContact O-N 2.81Å; V539-T542 PolarHBondContact O-N 2.92Å; V539-T542 VanDerWaalsContact O-N 3.17Å; V539-T542 PolarHBondContact O-OG1 2.76Å; V539-M543 WeakPolarHBondContact O-CG 3.2Å; V539-M543 PolarHBondContact O-N 2.82Å
540	L	89.5	Confident	81.3	Confident	49 Å²	49	64 Å²	64	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-38.6	178.7	-67.6	174.7	0	0	0	112.2	V492 L495 L536 D537 E538 T542 M543	V492-L540 HydrophobicContact CG1-CD1 4.05Å; V492-L540 HydrophobicContact CG2-CD1 4.3Å; V492-L540 HydrophobicContact CG2-CD2 3.9Å; L495-L540 HydrophobicContact CD1-CD2 4.08Å; L536-L540 HydrophobicContact CD1-CD1 4.11Å; L536-L540 HydrophobicContact CD1-CD2 4.46Å; L536-L540 HydrophobicContact CD1-CG 4.01Å; L536-L540 HydrophobicContact CG-CD1 4.05Å; L536-L540 HydrophobicContact CG-CG 4.39Å; L536-L540 VanDerWaalsContact O-CG 3.3Å; L536-L540 WeakPolarHBondContact O-CG 3.38Å; L536-L540 PolarHBondContact O-N 3.49Å; D537-L540 PolarHBondContact O-N 3.31Å; E538-L540 VanDerWaalsContact C-N 3.35Å; E538-L540 PolarHBondContact O-N 2.8Å; L540-T542 VanDerWaalsContact C-N 3.28Å; L540-T542 PolarHBondContact O-N 3.35Å; L540-M543 HydrophobicContact CD2-SD 3.85Å; L540-M543 WeakPolarHBondContact O-CB 3.26Å; L540-M543 PolarHBondContact O-N 2.69Å
541	H	87.4	Confident	79.1	Confident	115 Å²	115	66.1 Å²	66.1	53%	0.532	36%	0.361	S	S	.	.	H	α-helix	trans	-68.6	-22.9	174	-75.1	99.2	0	0	0	113.7	D537 E538	D537-H541 PolarHBondContact O-N 3.49Å; D537-H541 PolarHBondContact O-ND1 2.61Å; D537-H541 IonicContact OD1-CE1 2.7Å; D537-H541 PolarHBondContact OD1-CE1 2.68Å; D537-H541 IonicContact OD1-ND1 3.78Å; D537-H541 IonicContact OD2-CE1 3.79Å; D537-H541 PolarHBondContact OD2-CE1 2.74Å; D537-H541 IonicContact OD2-ND1 2.68Å; D537-H541 PolarHBondContact OD2-ND1 3.04Å; E538-H541 PolarHBondContact O-N 2.9Å
542	T	82.6	Confident	76.8	Confident	114 Å²	114	75.6 Å²	75.6	70%	0.699	41%	0.413	S	S	*	.	H	α-helix	trans	-81.9	-10.8	172.7	62.8	0	0	0	0	114.4	E538 V539 L540	E538-T542 WeakPolarHBondContact O-CG2 3.25Å; E538-T542 PolarHBondContact O-N 3.47Å; E538-T542 VanDerWaalsContact O-N 3.07Å; V539-T542 PolarHBondContact O-N 2.92Å; V539-T542 VanDerWaalsContact O-N 3.17Å; V539-T542 PolarHBondContact O-OG1 2.76Å; L540-T542 VanDerWaalsContact C-N 3.28Å; L540-T542 PolarHBondContact O-N 3.35Å
543	M	75.1	Confident	75.8	Confident	46 Å²	46	79.4 Å²	79.4	23%	0.227	43%	0.433	C	S	.	.	S	Bend	trans	-68.2	136.6	173.4	-56.3	-169.8	79.2	0	0	108.9	A451 Q455 V539 L540 I545	A451-M543 HydrophobicContact CB-CE 4.04Å; A451-M543 HydrophobicContact CB-SD 4.04Å; A451-M543 VanDerWaalsContact O-CE 3.24Å; A451-M543 WeakPolarHBondContact O-CE 3.38Å; Q455-M543 HydrophobicContact CB-CE 3.77Å; Q455-M543 HydrophobicContact CG-CE 4.45Å; V539-M543 WeakPolarHBondContact O-CG 3.2Å; V539-M543 PolarHBondContact O-N 2.82Å; L540-M543 HydrophobicContact CD2-SD 3.85Å; L540-M543 WeakPolarHBondContact O-CB 3.26Å; L540-M543 PolarHBondContact O-N 2.69Å; M543-I545 PolarHBondContact O-N 3.02Å
544	P	68.5	Low	74.6	Confident	87 Å²	87	81.1 Å²	81.1	57%	0.565	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-55.2	127.9	179.7	-27	36.1	0	0	0	111	Q455 A546	Q455-P544 VanDerWaalsContact NE2-CD 3.35Å; P544-A546 PolarHBondContact O-N 3.08Å
545	I	62.8	Low	73.4	Confident	152 Å²	152	82.8 Å²	82.8	78%	0.779	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-51.6	133.7	167.3	-61.8	169.9	0	0	0	106.7	M543 D547	M543-I545 PolarHBondContact O-N 3.02Å; I545-D547 PolarHBondContact O-N 2.89Å
546	A	59.4	Low	72.1	Confident	40 Å²	40	87.7 Å²	87.7	33%	0.331	48%	0.482	S	S	.	.			trans	-73.1	68.4	-175.1	0	0	0	0	0	111.3	P544	P544-A546 PolarHBondContact O-N 3.08Å
547	D	58.3	Low	70.7	Confident	126 Å²	126	92.7 Å²	92.7	67%	0.674	51%	0.51	S	S	*	.			trans	-56.1	127.8	172	-94.2	-25.3	0	0	0	108.8	I545 Q549	I545-D547 PolarHBondContact O-N 2.89Å; D547-Q549 PolarHBondContact O-N 3.23Å
548	P	57.3	Low	69.1	Low	78 Å²	78	93.1 Å²	93.1	51%	0.506	51%	0.512	S	S	.	.			trans	-68.6	97.1	179.5	27.6	-33.2	0	0	0	109.5	P550	P548-P550 WeakPolarHBondContact O-CD 3.26Å
549	Q	56	Low	67.5	Low	147 Å²	147	96.6 Å²	96.6	69%	0.687	53%	0.534	S	S	*	.			trans	-57.8	121.6	169.6	-67.4	-88.5	-53.6	0	0	108.6	D547	D547-Q549 PolarHBondContact O-N 3.23Å
550	P	53.9	Low	65.6	Low	87 Å²	87	103.4 Å²	103.4	57%	0.565	57%	0.572	S	S	*	*			trans	-65.7	142.3	169.7	28	-32.5	0	0	0	109.7	P548 D552	P548-P550 WeakPolarHBondContact O-CD 3.26Å; P550-D552 PolarHBondContact O-N 3.33Å
551	L	52.5	Low	63.6	Low	86 Å²	86	107.9 Å²	107.9	45%	0.45	60%	0.598	S	S	.	*			trans	-92.8	89.8	168	-64.7	173.5	0	0	0	107	A466 L484	A466-L551 HydrophobicContact CB-CD2 3.58Å; L484-L551 HydrophobicContact CD1-CD1 4.14Å
552	D	50	Low	61.5	Low	217 Å²	217	107.3 Å²	107.3	100%	1.16	60%	0.604	S	S	*	*			trans	-84.8	0	174.8	-69.8	-31.5	0	0	0	112.1	P550	P550-D552 PolarHBondContact O-N 3.33Å

Retrieved 552 of 552 residues in 85.7 ms (Link to these results)

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