A0A087XJS2_POEFO Loading...

Neurotrypsin

Plays a role in neuronal plasticity and the proteolytic action may subserve structural reorganizations associated with learning and memory operations.

AlphaFold DB , UniProt , Accession A0A087XJS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	37.5	Very low	64.4	Low	265 Å²	265	86.5 Å²	86.5	100%	1.152	47%	0.473	S	S	*	.				0	83.2	0	-87.6	-179.2	174.9	173.5	0	109
2	D	39.5	Very low	65.6	Low	136 Å²	136	79.3 Å²	79.3	73%	0.727	43%	0.434	S	S	*	.			trans	-168.1	68.6	154.9	-116.6	-23	0	0	0	105.7	S4 R34	D2-S4 PolarHBondContact O-N 3.28Å; D2-R34 IonicContact OD1-NH1 3.52Å
3	G	52.3	Low	66.4	Low	65 Å²	65	81 Å²	81	67%	0.67	44%	0.437	S	S	*	.			trans	-92.8	69	-171.2	0	0	0	0	0	111.4	Y5 N44	G3-Y5 PolarHBondContact O-N 3.03Å; G3-N44 PolarHBondContact O-ND2 2.77Å
4	S	60.8	Low	66.7	Low	47 Å²	47	81.4 Å²	81.4	33%	0.329	45%	0.449	S	S	.	.			trans	-72.6	114.9	172.4	65.9	0	0	0	0	109.9	D2 R6 N44	D2-S4 PolarHBondContact O-N 3.28Å; S4-R6 PolarHBondContact O-N 2.95Å; S4-N44 VanDerWaalsContact CA-OD1 3.27Å; S4-N44 WeakPolarHBondContact CA-OD1 3.24Å
5	Y	69.9	Low	67.1	Low	59 Å²	59	79.7 Å²	79.7	23%	0.231	46%	0.457	C	S	.	.			trans	-69.7	122.3	174.5	176.6	-95.1	0	0	0	109.9	G3 G7 I9 C42 R43 N44 P51	G3-Y5 PolarHBondContact O-N 3.03Å; Y5-G7 VanDerWaalsContact CZ-CA 3.47Å; Y5-G7 WeakPolarHBondContact OH-CA 3.44Å; Y5-I9 VanDerWaalsContact OH-CD1 3.22Å; Y5-I9 WeakPolarHBondContact OH-CD1 3.12Å; Y5-I9 WeakPolarHBondContact OH-CG1 3.31Å; Y5-C42 VanDerWaalsContact CD1-O 3.25Å; Y5-C42 WeakPolarHBondContact CD1-O 3.33Å; Y5-C42 HydrophobicContact CE1-CB 4.27Å; Y5-C42 WeakPolarHBondContact CE1-O 3.48Å; Y5-R43 WeakPolarHBondContact O-CD 3.45Å; Y5-N44 PolarHBondContact N-OD1 3.44Å; Y5-P51 HydrophobicContact CD1-CB 3.43Å; Y5-P51 VanDerWaalsContact CD1-CB 3.43Å; Y5-P51 HydrophobicContact CD1-CG 3.81Å; Y5-P51 HydrophobicContact CD2-CB 4.48Å; Y5-P51 HydrophobicContact CD2-CG 4.11Å; Y5-P51 HydrophobicContact CE1-CB 4.03Å; Y5-P51 HydrophobicContact CE1-CG 4.11Å; Y5-P51 HydrophobicContact CE2-CG 4.39Å; Y5-P51 HydrophobicContact CG-CB 3.69Å; Y5-P51 HydrophobicContact CG-CG 3.81Å
6	R	70.3	Confident	67.9	Low	173 Å²	173	76.8 Å²	76.8	65%	0.653	44%	0.443	S	S	*	.			trans	-119.2	19.1	179.6	-67.2	-170.7	176.8	-128.9	2.8	113.5	S4	S4-R6 PolarHBondContact O-N 2.95Å
7	G	66.6	Low	68.9	Low	26 Å²	26	83 Å²	83	27%	0.268	46%	0.458	S	S	.	.			trans	-71.8	173.3	179.6	0	0	0	0	0	113.9	Y5 R43	Y5-G7 VanDerWaalsContact CZ-CA 3.47Å; Y5-G7 WeakPolarHBondContact OH-CA 3.44Å; G7-R43 PolarHBondContact O-NH1 3.48Å
8	A	72.2	Confident	69.9	Low	65 Å²	65	78.8 Å²	78.8	54%	0.537	44%	0.435	S	S	.	.			trans	-93.9	3.1	-173	0	0	0	0	0	114.9	D10 H41	A8-D10 PolarHBondContact O-N 3.33Å; A8-H41 PolarHBondContact O-ND1 3.01Å
9	I	76.6	Confident	70.9	Confident	37 Å²	37	75.4 Å²	75.4	19%	0.19	42%	0.416	C	S	.	.			trans	-61	131.3	-178.7	-63	176.6	0	0	0	110.3	Y5 H41 C42 C67 C69	Y5-I9 VanDerWaalsContact OH-CD1 3.22Å; Y5-I9 WeakPolarHBondContact OH-CD1 3.12Å; Y5-I9 WeakPolarHBondContact OH-CG1 3.31Å; I9-H41 CarbonylContact O-C 3.46Å; I9-H41 VanDerWaalsContact O-CA 3.29Å; I9-H41 WeakPolarHBondContact O-CA 3.48Å; I9-C42 PolarHBondContact O-N 3.04Å; I9-C42 PolarHBondContact O-SG 3.14Å; I9-C67 HydrophobicContact CG2-CB 3.98Å; I9-C69 HydrophobicContact CD1-CB 4.29Å
10	D	82.5	Confident	71.8	Confident	42 Å²	42	73.6 Å²	73.6	23%	0.225	41%	0.405	C	S	.	.			trans	-130.7	24.3	-176.8	76.3	-31.2	0	0	0	113.3	A8 R17 C18 N40	A8-D10 PolarHBondContact O-N 3.33Å; D10-R17 IonicContact OD2-NE 3.62Å; D10-C18 HydrophobicContact CB-CB 4.43Å; D10-C18 VanDerWaalsContact O-CB 3.25Å; D10-C18 WeakPolarHBondContact O-CB 3.37Å; D10-C18 PolarHBondContact O-N 3.27Å; D10-C18 PolarHBondContact O-SG 2.82Å; D10-N40 WeakPolarHBondContact CB-ND2 3.42Å; D10-N40 PolarHBondContact OD2-ND2 2.85Å
11	V	80.2	Confident	72.5	Confident	36 Å²	36	70.1 Å²	70.1	22%	0.218	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-134.4	139.3	178.1	-172.8	0	0	0	0	110.8	G15 S16 C67	V11-G15 VanDerWaalsContact CG1-C 3.45Å; V11-S16 WeakPolarHBondContact CA-O 3.3Å; V11-C67 WeakPolarHBondContact O-CB 3.4Å
12	T	78.9	Confident	74.6	Confident	1 Å²	1	60 Å²	60	1%	0.006	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-75	165.2	175.5	65.6	0	0	0	0	112.4	S14 G15 S16 F55 Y66	T12-S14 PolarHBondContact O-N 2.93Å; T12-S14 PolarHBondContact OG1-N 3.46Å; T12-S14 PolarHBondContact OG1-OG 3.44Å; T12-G15 WeakPolarHBondContact O-CA 3.41Å; T12-G15 PolarHBondContact O-N 3.38Å; T12-S16 PolarHBondContact N-O 3.12Å; T12-S16 WeakPolarHBondContact OG1-CB 3.34Å; T12-S16 PolarHBondContact OG1-N 3.48Å; T12-S16 PolarHBondContact OG1-O 3.48Å; T12-F55 HydrophobicContact CG2-CD1 3.71Å; T12-F55 HydrophobicContact CG2-CE1 4.24Å; T12-F55 HydrophobicContact CG2-CG 4.29Å; T12-Y66 CarbonylContact C-O 3.6Å; T12-Y66 VanDerWaalsContact CA-O 3.27Å; T12-Y66 WeakPolarHBondContact CA-O 3.49Å; T12-Y66 WeakPolarHBondContact CB-O 3.42Å
13	E	75.5	Confident	76.8	Confident	101 Å²	101	58.5 Å²	58.5	47%	0.472	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.5	171.7	-70	-176.4	161.8	0	0	113	G15 R50 Y66 D68	E13-G15 PolarHBondContact O-N 3.43Å; E13-R50 IonicContact OE1-CZ 3.34Å; E13-R50 IonicContact OE1-NH2 3.38Å; E13-R50 PolarHBondContact OE1-NH2 3.36Å; E13-R50 IonicContact OE2-CZ 3.52Å; E13-R50 IonicContact OE2-NH2 2.61Å; E13-R50 PolarHBondContact OE2-NH2 3.42Å; E13-Y66 PolarHBondContact N-O 3.39Å; E13-D68 HydrophobicContact CG-CB 3.87Å
14	S	70.9	Confident	78.1	Confident	86 Å²	86	56.9 Å²	56.9	60%	0.601	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	5.2	173.6	56.4	0	0	0	0	113.7	T12 S16	T12-S14 PolarHBondContact O-N 2.93Å; T12-S14 PolarHBondContact OG1-N 3.46Å; T12-S14 PolarHBondContact OG1-OG 3.44Å; S14-S16 VanDerWaalsContact C-N 3.31Å; S14-S16 PolarHBondContact O-N 2.88Å
15	G	72.8	Confident	79	Confident	56 Å²	56	59.5 Å²	59.5	58%	0.577	34%	0.337	S	S	*	.	S	Bend	trans	76.9	11.5	-179.8	0	0	0	0	0	114.6	V11 T12 E13	V11-G15 VanDerWaalsContact CG1-C 3.45Å; T12-G15 WeakPolarHBondContact O-CA 3.41Å; T12-G15 PolarHBondContact O-N 3.38Å; E13-G15 PolarHBondContact O-N 3.43Å
16	S	79.8	Confident	79.1	Confident	33 Å²	33	58.4 Å²	58.4	23%	0.231	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-86.7	134	-178.8	-56.6	0	0	0	0	110.9	V11 T12 S14	V11-S16 WeakPolarHBondContact CA-O 3.3Å; T12-S16 PolarHBondContact N-O 3.12Å; T12-S16 WeakPolarHBondContact OG1-CB 3.34Å; T12-S16 PolarHBondContact OG1-N 3.48Å; T12-S16 PolarHBondContact OG1-O 3.48Å; S14-S16 VanDerWaalsContact C-N 3.31Å; S14-S16 PolarHBondContact O-N 2.88Å
17	R	84.7	Confident	79.3	Confident	183 Å²	183	51.6 Å²	51.6	69%	0.691	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-72.6	132.6	-179.3	-164.7	174.9	-171.5	-172.9	-0	110.9	D10 F55	D10-R17 IonicContact OD2-NE 3.62Å; R17-F55 VanDerWaalsContact O-CB 3.3Å; R17-F55 WeakPolarHBondContact O-CB 3.17Å
18	C	87.6	Confident	79.6	Confident	7 Å²	7	55.8 Å²	55.8	5%	0.047	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-68.2	147.7	178.9	-62.9	0	0	0	0	111.7	D10 N40 C53 F54	D10-C18 HydrophobicContact CB-CB 4.43Å; D10-C18 VanDerWaalsContact O-CB 3.25Å; D10-C18 WeakPolarHBondContact O-CB 3.37Å; D10-C18 PolarHBondContact O-N 3.27Å; D10-C18 PolarHBondContact O-SG 2.82Å; C18-N40 HydrophobicContact CB-CB 4.34Å; C18-N40 WeakPolarHBondContact CB-O 3.25Å; C18-N40 WeakPolarHBondContact O-CB 3.01Å; C18-N40 PolarHBondContact O-ND2 3.36Å; C18-C53 VanDerWaalsContact CA-SG 3.56Å; C18-C53 HydrophobicContact CB-CB 3.55Å; C18-C53 WeakPolarHBondContact CB-SG 2.88Å; C18-C53 WeakPolarHBondContact SG-CB 3.31Å; C18-C53 CovalentContact SG-SG 2.01Å; C18-C53 PolarHBondContact SG-SG 3.47Å; C18-F54 CarbonylContact C-O 3.49Å; C18-F54 VanDerWaalsContact CA-O 3.31Å; C18-F54 WeakPolarHBondContact CA-O 3.35Å
19	M	89.3	Confident	79.8	Confident	15 Å²	15	60.6 Å²	60.6	7%	0.074	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-94.1	162.1	174.8	-68.7	173.4	70.8	0	0	111.3	E23 N40 F54 F55 R56 V62	M19-E23 HydrophobicContact CE-CB 4.19Å; M19-E23 WeakPolarHBondContact CE-OE2 3.3Å; M19-N40 WeakPolarHBondContact O-CA 3.45Å; M19-F54 PolarHBondContact N-O 2.77Å; M19-F55 VanDerWaalsContact SD-C 3.5Å; M19-R56 HydrophobicContact CE-CG 3.84Å; M19-R56 HydrophobicContact CG-CG 4.12Å; M19-R56 HydrophobicContact SD-CB 4.32Å; M19-R56 HydrophobicContact SD-CG 3.31Å; M19-R56 WeakPolarHBondContact SD-CG 3.38Å; M19-V62 HydrophobicContact CE-CG2 4.02Å; M19-V62 HydrophobicContact SD-CG1 4.3Å; M19-V62 HydrophobicContact SD-CG2 4.15Å
20	N	88.6	Confident	79.8	Confident	38 Å²	38	67.5 Å²	67.5	20%	0.203	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-68.1	135.1	173.4	-166.4	-23.7	0	0	0	110.6	T22 E23 G37 E38 H39	N20-T22 PolarHBondContact O-N 2.87Å; N20-T22 PolarHBondContact OD1-N 2.98Å; N20-T22 PolarHBondContact OD1-OG1 2.75Å; N20-T22 VanDerWaalsContact OD1-OG1 3.12Å; N20-E23 HydrophobicContact CB-CG 4.16Å; N20-E23 WeakPolarHBondContact CB-OE1 3.41Å; N20-E23 PolarHBondContact N-OE1 2.79Å; N20-E23 WeakPolarHBondContact O-CB 3.39Å; N20-E23 PolarHBondContact O-N 3.31Å; N20-E23 VanDerWaalsContact O-N 3.09Å; N20-G37 PolarHBondContact OD1-O 3Å; N20-G37 VanDerWaalsContact OD1-O 3.06Å; N20-E38 VanDerWaalsContact OD1-CA 3.3Å; N20-E38 WeakPolarHBondContact OD1-CA 3.5Å; N20-H39 WeakPolarHBondContact CA-O 3.25Å; N20-H39 PolarHBondContact OD1-N 3.46Å; N20-H39 PolarHBondContact OD1-O 3.2Å
21	W	85.6	Confident	79.4	Confident	1 Å²	1	69 Å²	69	0%	0.004	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63.8	-24.5	-179.3	-67	94	0	0	0	113.6	E23 V24 F27 I36 H39 H41 R43 W52 C53 F54	W21-E23 VanDerWaalsContact C-N 3.27Å; W21-E23 PolarHBondContact O-N 3.43Å; W21-V24 PolarHBondContact O-N 2.83Å; W21-F27 HydrophobicContact CE3-CD1 4.04Å; W21-F27 HydrophobicContact CE3-CE1 4.1Å; W21-F27 HydrophobicContact CZ3-CD1 4.21Å; W21-F27 AromaticContact CZ3-CE1 3.81Å; W21-F27 HydrophobicContact CZ3-CE1 3.81Å; W21-I36 HydrophobicContact CB-CG2 3.28Å; W21-I36 HydrophobicContact CD2-CG2 3.98Å; W21-I36 HydrophobicContact CE3-CG2 4.18Å; W21-I36 HydrophobicContact CG-CG2 3.61Å; W21-H39 AromaticContact CD1-CE1 3.53Å; W21-H39 AromaticContact CD1-ND1 3.65Å; W21-H39 VanDerWaalsContact CD1-O 3.24Å; W21-H39 PolarHBondContact N-O 3.21Å; W21-H39 AromaticContact NE1-CE1 3.74Å; W21-H39 AromaticContact NE1-ND1 3.95Å; W21-H41 PolarHBondContact NE1-O 3.44Å; W21-R43 HydrophobicContact CH2-CB 4.32Å; W21-R43 HydrophobicContact CZ2-CB 3.68Å; W21-R43 HydrophobicContact CZ2-CG 3.98Å; W21-W52 HydrophobicContact CH2-CD2 4.24Å; W21-W52 AromaticContact CH2-CE3 3.91Å; W21-W52 HydrophobicContact CH2-CE3 3.91Å; W21-W52 AromaticContact CH2-CH2 4Å; W21-W52 HydrophobicContact CH2-CH2 4Å; W21-W52 HydrophobicContact CH2-CZ2 4.32Å; W21-W52 AromaticContact CH2-CZ3 3.78Å; W21-W52 HydrophobicContact CH2-CZ3 3.78Å; W21-W52 WeakPolarHBondContact CH2-O 3.3Å; W21-W52 VanDerWaalsContact CZ2-O 3.3Å; W21-W52 WeakPolarHBondContact CZ2-O 3.49Å; W21-W52 HydrophobicContact CZ3-CE3 4.39Å; W21-W52 AromaticContact CZ3-CH2 3.78Å; W21-W52 HydrophobicContact CZ3-CH2 3.78Å; W21-W52 HydrophobicContact CZ3-CZ2 4.38Å; W21-W52 AromaticContact CZ3-CZ3 3.78Å; W21-W52 HydrophobicContact CZ3-CZ3 3.78Å; W21-C53 HydrophobicContact CZ2-CB 4.34Å; W21-F54 AromaticContact CE3-CD2 3.8Å; W21-F54 HydrophobicContact CE3-CD2 3.8Å; W21-F54 AromaticContact CE3-CE2 3.83Å; W21-F54 HydrophobicContact CE3-CE2 3.83Å; W21-F54 HydrophobicContact CH2-CD2 4.48Å; W21-F54 AromaticContact CZ3-CD2 3.68Å; W21-F54 HydrophobicContact CZ3-CD2 3.68Å; W21-F54 AromaticContact CZ3-CE2 3.55Å; W21-F54 HydrophobicContact CZ3-CE2 3.55Å
22	T	83.1	Confident	79.1	Confident	53 Å²	53	72.2 Å²	72.2	33%	0.325	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-74.6	-14.7	176.3	54.1	0	0	0	0	113.7	N20 V24 E38	N20-T22 PolarHBondContact O-N 2.87Å; N20-T22 PolarHBondContact OD1-N 2.98Å; N20-T22 PolarHBondContact OD1-OG1 2.75Å; N20-T22 VanDerWaalsContact OD1-OG1 3.12Å; T22-V24 PolarHBondContact O-N 3.22Å; T22-E38 HydrophobicContact CG2-CG 3.71Å
23	E	84.1	Confident	78.6	Confident	104 Å²	104	75.7 Å²	75.7	49%	0.486	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-73.6	-14	174.2	-68.8	178	-123.4	0	0	112.8	M19 N20 W21 R56	M19-E23 HydrophobicContact CE-CB 4.19Å; M19-E23 WeakPolarHBondContact CE-OE2 3.3Å; N20-E23 HydrophobicContact CB-CG 4.16Å; N20-E23 WeakPolarHBondContact CB-OE1 3.41Å; N20-E23 PolarHBondContact N-OE1 2.79Å; N20-E23 WeakPolarHBondContact O-CB 3.39Å; N20-E23 PolarHBondContact O-N 3.31Å; N20-E23 VanDerWaalsContact O-N 3.09Å; W21-E23 VanDerWaalsContact C-N 3.27Å; W21-E23 PolarHBondContact O-N 3.43Å; E23-R56 IonicContact OE2-NH2 3.5Å
24	V	81.4	Confident	78.6	Confident	32 Å²	32	75.7 Å²	75.7	19%	0.194	42%	0.421	C	S	.	.	S	Bend	trans	-100.6	100.2	176.8	-174	0	0	0	0	109.6	W21 T22 G26 F27 F54 V62	W21-V24 PolarHBondContact O-N 2.83Å; T22-V24 PolarHBondContact O-N 3.22Å; V24-G26 PolarHBondContact O-N 3.31Å; V24-F27 HydrophobicContact CB-CB 4.45Å; V24-F27 HydrophobicContact CG1-CB 4.24Å; V24-F27 PolarHBondContact O-N 3.09Å; V24-F54 HydrophobicContact CB-CD2 4.37Å; V24-F54 HydrophobicContact CB-CE2 4.3Å; V24-F54 HydrophobicContact CG1-CE2 4.2Å; V24-F54 HydrophobicContact CG1-CZ 4.25Å; V24-F54 HydrophobicContact CG2-CB 4.25Å; V24-F54 HydrophobicContact CG2-CD1 4.4Å; V24-F54 HydrophobicContact CG2-CD2 3.66Å; V24-F54 HydrophobicContact CG2-CE2 4.03Å; V24-F54 HydrophobicContact CG2-CG 3.85Å; V24-V62 HydrophobicContact CG2-CG1 4.22Å
25	A	78.1	Confident	78.7	Confident	101 Å²	101	72.6 Å²	72.6	84%	0.835	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.2	-175.4	0	0	0	0	0	113.1	F27	A25-F27 VanDerWaalsContact C-N 3.26Å; A25-F27 PolarHBondContact O-N 3.28Å
26	G	72.3	Confident	79.1	Confident	37 Å²	37	70.9 Å²	70.9	38%	0.381	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-3.6	175.7	0	0	0	0	0	116.1	V24	V24-G26 PolarHBondContact O-N 3.31Å
27	F	74.9	Confident	79.1	Confident	30 Å²	30	70 Å²	70	13%	0.132	38%	0.376	C	S	.	.	H	α-helix	trans	-77.3	-35.3	-176.5	-155.8	-95.4	0	0	0	113.1	W21 V24 A25 E29 R30 Y31 I36 P45 W52 F54	W21-F27 HydrophobicContact CE3-CD1 4.04Å; W21-F27 HydrophobicContact CE3-CE1 4.1Å; W21-F27 HydrophobicContact CZ3-CD1 4.21Å; W21-F27 AromaticContact CZ3-CE1 3.81Å; W21-F27 HydrophobicContact CZ3-CE1 3.81Å; V24-F27 HydrophobicContact CB-CB 4.45Å; V24-F27 HydrophobicContact CG1-CB 4.24Å; V24-F27 PolarHBondContact O-N 3.09Å; A25-F27 VanDerWaalsContact C-N 3.26Å; A25-F27 PolarHBondContact O-N 3.28Å; F27-E29 VanDerWaalsContact C-N 3.33Å; F27-E29 PolarHBondContact O-N 3.01Å; F27-R30 PolarHBondContact O-N 2.91Å; F27-Y31 HydrophobicContact CD1-CD2 4.18Å; F27-Y31 AromaticContact CE1-CD2 3.73Å; F27-Y31 HydrophobicContact CE1-CD2 3.73Å; F27-Y31 AromaticContact CE1-CE2 3.99Å; F27-Y31 HydrophobicContact CE1-CE2 3.99Å; F27-Y31 HydrophobicContact CE2-CD2 4.36Å; F27-Y31 AromaticContact CE2-CE2 3.91Å; F27-Y31 HydrophobicContact CE2-CE2 3.91Å; F27-Y31 AromaticContact CZ-CD2 3.82Å; F27-Y31 HydrophobicContact CZ-CD2 3.82Å; F27-Y31 AromaticContact CZ-CE2 3.56Å; F27-Y31 HydrophobicContact CZ-CE2 3.56Å; F27-Y31 PolarHBondContact O-N 3.06Å; F27-I36 HydrophobicContact CD1-CD1 3.79Å; F27-I36 HydrophobicContact CE1-CD1 3.78Å; F27-P45 HydrophobicContact CE1-CG 4.01Å; F27-W52 HydrophobicContact CE1-CH2 4.16Å; F27-W52 HydrophobicContact CE2-CH2 4.37Å; F27-W52 AromaticContact CZ-CH2 3.64Å; F27-W52 HydrophobicContact CZ-CH2 3.64Å; F27-W52 HydrophobicContact CZ-CZ2 4.02Å; F27-F54 HydrophobicContact CD1-CE2 4.36Å; F27-F54 HydrophobicContact CD2-CE2 4.38Å; F27-F54 HydrophobicContact CD2-CZ 4.29Å; F27-F54 HydrophobicContact CE1-CE2 4.4Å; F27-F54 HydrophobicContact CE2-CE2 4.42Å; F27-F54 HydrophobicContact CE2-CZ 4.16Å; F27-F54 HydrophobicContact CG-CE2 4.35Å; F27-F54 HydrophobicContact CZ-CE2 4.44Å; F27-F54 HydrophobicContact CZ-CZ 4.46Å
28	K	72.8	Confident	79.1	Confident	114 Å²	114	69 Å²	69	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-37.6	176.5	-171.8	179.5	179.3	-177.7	0	112.3	R30 Y31	K28-R30 VanDerWaalsContact C-N 3.33Å; K28-Y31 CarbonylContact O-C 3.5Å; K28-Y31 PolarHBondContact O-N 3.25Å
29	E	76.8	Confident	78.9	Confident	165 Å²	165	70.7 Å²	70.7	77%	0.771	39%	0.386	S	S	*	.	H	α-helix	trans	-70.2	-30	178.7	-69.1	146.9	-155.9	0	0	112.4	F27	F27-E29 VanDerWaalsContact C-N 3.33Å; F27-E29 PolarHBondContact O-N 3.01Å
30	R	75.9	Confident	78.7	Confident	183 Å²	183	71.7 Å²	71.7	69%	0.691	39%	0.392	S	S	*	.	H	α-helix	trans	-75.5	-24.9	178.9	-170.8	174.1	-79.3	178.3	-3.6	113.1	F27 K28	F27-R30 PolarHBondContact O-N 2.91Å; K28-R30 VanDerWaalsContact C-N 3.33Å
31	Y	73.9	Confident	78.6	Confident	74 Å²	74	72.5 Å²	72.5	29%	0.29	39%	0.394	S	S	.	.	S	Bend	trans	-135.1	63.7	-176.9	-60.5	-77.8	0	0	0	113	F27 K28 I36 P45	F27-Y31 HydrophobicContact CD1-CD2 4.18Å; F27-Y31 AromaticContact CE1-CD2 3.73Å; F27-Y31 HydrophobicContact CE1-CD2 3.73Å; F27-Y31 AromaticContact CE1-CE2 3.99Å; F27-Y31 HydrophobicContact CE1-CE2 3.99Å; F27-Y31 HydrophobicContact CE2-CD2 4.36Å; F27-Y31 AromaticContact CE2-CE2 3.91Å; F27-Y31 HydrophobicContact CE2-CE2 3.91Å; F27-Y31 AromaticContact CZ-CD2 3.82Å; F27-Y31 HydrophobicContact CZ-CD2 3.82Å; F27-Y31 AromaticContact CZ-CE2 3.56Å; F27-Y31 HydrophobicContact CZ-CE2 3.56Å; F27-Y31 PolarHBondContact O-N 3.06Å; K28-Y31 CarbonylContact O-C 3.5Å; K28-Y31 PolarHBondContact O-N 3.25Å; Y31-I36 HydrophobicContact CD2-CD1 4.49Å; Y31-P45 HydrophobicContact CD1-CB 4.43Å; Y31-P45 WeakPolarHBondContact CD1-O 3.26Å; Y31-P45 HydrophobicContact CG-CB 4.12Å
32	P	73.5	Confident	78.5	Confident	102 Å²	102	72.4 Å²	72.4	66%	0.662	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	139.4	179.2	27.1	-33.7	0	0	0	111.3	R34	P32-R34 VanDerWaalsContact C-N 3.27Å; P32-R34 PolarHBondContact O-N 3.46Å
33	G	68.6	Low	78.7	Confident	74 Å²	74	70.9 Å²	70.9	76%	0.763	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	4.4	176.6	0	0	0	0	0	116	G35	G33-G35 VanDerWaalsContact C-N 3.33Å; G33-G35 PolarHBondContact O-N 3.43Å
34	R	76.5	Confident	78.8	Confident	102 Å²	102	66.4 Å²	66.4	39%	0.385	36%	0.361	S	S	.	.	S	Bend	trans	-91.7	26.1	-178.3	-67.2	-70.3	-173.4	178	-0.9	114.7	D2 P32 I36 P45	D2-R34 IonicContact OD1-NH1 3.52Å; P32-R34 VanDerWaalsContact C-N 3.27Å; P32-R34 PolarHBondContact O-N 3.46Å; R34-I36 VanDerWaalsContact C-N 3.28Å; R34-I36 PolarHBondContact O-N 3.39Å; R34-P45 HydrophobicContact CB-CB 3.8Å; R34-P45 HydrophobicContact CG-CB 4.49Å
35	G	71.9	Confident	78.6	Confident	20 Å²	20	65.1 Å²	65.1	21%	0.206	35%	0.354	C	S	.	.	S	Bend	trans	69.5	22.4	177.7	0	0	0	0	0	114.5	G33 H39 R43	G33-G35 VanDerWaalsContact C-N 3.33Å; G33-G35 PolarHBondContact O-N 3.43Å; G35-H39 PolarHBondContact O-CE1 3.29Å; G35-H39 PolarHBondContact O-NE2 3.08Å; G35-R43 VanDerWaalsContact O-CD 3.25Å; G35-R43 WeakPolarHBondContact O-CD 3.27Å; G35-R43 PolarHBondContact O-NE 3.29Å
36	I	81.3	Confident	78.4	Confident	20 Å²	20	62.7 Å²	62.7	10%	0.103	33%	0.327	C	S	.	.			trans	-93.7	126.7	173.5	-52	-175.4	0	0	0	108.2	W21 F27 Y31 R34 P45	W21-I36 HydrophobicContact CB-CG2 3.28Å; W21-I36 HydrophobicContact CD2-CG2 3.98Å; W21-I36 HydrophobicContact CE3-CG2 4.18Å; W21-I36 HydrophobicContact CG-CG2 3.61Å; F27-I36 HydrophobicContact CD1-CD1 3.79Å; F27-I36 HydrophobicContact CE1-CD1 3.78Å; Y31-I36 HydrophobicContact CD2-CD1 4.49Å; R34-I36 VanDerWaalsContact C-N 3.28Å; R34-I36 PolarHBondContact O-N 3.39Å; I36-P45 HydrophobicContact CD1-CB 3.52Å; I36-P45 HydrophobicContact CD1-CG 3.74Å; I36-P45 HydrophobicContact CG1-CB 3.94Å; I36-P45 HydrophobicContact CG1-CG 4.26Å
37	G	81.2	Confident	78.2	Confident	15 Å²	15	63.6 Å²	63.6	16%	0.155	34%	0.337	C	S	.	.	S	Bend	trans	-162	-160.5	-178.1	0	0	0	0	0	112.2	N20 H39	N20-G37 PolarHBondContact OD1-O 3Å; N20-G37 VanDerWaalsContact OD1-O 3.06Å; G37-H39 PolarHBondContact O-N 3.03Å
38	E	84.4	Confident	77.8	Confident	162 Å²	162	68.6 Å²	68.6	76%	0.757	36%	0.355	S	S	*	.	S	Bend	trans	-76.8	67.8	176.8	-66.5	-160.7	155.8	0	0	111.7	N20 T22	N20-E38 VanDerWaalsContact OD1-CA 3.3Å; N20-E38 WeakPolarHBondContact OD1-CA 3.5Å; T22-E38 HydrophobicContact CG2-CG 3.71Å
39	H	82.9	Confident	77.4	Confident	42 Å²	42	71.3 Å²	71.3	19%	0.194	37%	0.372	C	S	.	.	S	Bend	trans	-155.2	162.9	174.8	63.5	61.1	0	0	0	110.4	N20 W21 G35 G37 H41 R43	N20-H39 WeakPolarHBondContact CA-O 3.25Å; N20-H39 PolarHBondContact OD1-N 3.46Å; N20-H39 PolarHBondContact OD1-O 3.2Å; W21-H39 AromaticContact CD1-CE1 3.53Å; W21-H39 AromaticContact CD1-ND1 3.65Å; W21-H39 VanDerWaalsContact CD1-O 3.24Å; W21-H39 PolarHBondContact N-O 3.21Å; W21-H39 AromaticContact NE1-CE1 3.74Å; W21-H39 AromaticContact NE1-ND1 3.95Å; G35-H39 PolarHBondContact O-CE1 3.29Å; G35-H39 PolarHBondContact O-NE2 3.08Å; G37-H39 PolarHBondContact O-N 3.03Å; H39-H41 AromaticContact CG-CD2 3.76Å; H39-H41 AromaticContact ND1-CD2 3.88Å; H39-H41 PolarHBondContact ND1-N 3.35Å; H39-R43 PolarHBondContact CE1-NE 3.47Å; H39-R43 PolarHBondContact CE1-NH2 3.09Å; H39-R43 PolarHBondContact NE2-NE 3.34Å; H39-R43 PolarHBondContact NE2-NH2 3.39Å
40	N	86	Confident	77.2	Confident	36 Å²	36	68.6 Å²	68.6	19%	0.193	36%	0.355	C	S	.	.			trans	-101.5	7.9	180	69.6	-31.3	0	0	0	114.6	D10 C18 M19	D10-N40 WeakPolarHBondContact CB-ND2 3.42Å; D10-N40 PolarHBondContact OD2-ND2 2.85Å; C18-N40 HydrophobicContact CB-CB 4.34Å; C18-N40 WeakPolarHBondContact CB-O 3.25Å; C18-N40 WeakPolarHBondContact O-CB 3.01Å; C18-N40 PolarHBondContact O-ND2 3.36Å; M19-N40 WeakPolarHBondContact O-CA 3.45Å
41	H	85.6	Confident	77.5	Confident	55 Å²	55	60.3 Å²	60.3	26%	0.255	33%	0.325	S	S	.	.			trans	-71.4	147	-178.8	-52.2	-58	0	0	0	113.6	A8 I9 W21 H39	A8-H41 PolarHBondContact O-ND1 3.01Å; I9-H41 CarbonylContact O-C 3.46Å; I9-H41 VanDerWaalsContact O-CA 3.29Å; I9-H41 WeakPolarHBondContact O-CA 3.48Å; W21-H41 PolarHBondContact NE1-O 3.44Å; H39-H41 AromaticContact CG-CD2 3.76Å; H39-H41 AromaticContact ND1-CD2 3.88Å; H39-H41 PolarHBondContact ND1-N 3.35Å
42	C	83.8	Confident	78.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.315	C	S	.	.			trans	-62.2	143.6	176.7	-55	0	0	0	0	111.9	Y5 I9 P51 W52 C67	Y5-C42 VanDerWaalsContact CD1-O 3.25Å; Y5-C42 WeakPolarHBondContact CD1-O 3.33Å; Y5-C42 HydrophobicContact CE1-CB 4.27Å; Y5-C42 WeakPolarHBondContact CE1-O 3.48Å; I9-C42 PolarHBondContact O-N 3.04Å; I9-C42 PolarHBondContact O-SG 3.14Å; C42-P51 HydrophobicContact CB-CB 4.08Å; C42-W52 WeakPolarHBondContact CA-O 2.99Å; C42-C67 HydrophobicContact CB-CB 3.73Å; C42-C67 WeakPolarHBondContact CB-SG 3.12Å; C42-C67 WeakPolarHBondContact SG-CB 3.46Å; C42-C67 CovalentContact SG-SG 2.01Å; C42-C67 PolarHBondContact SG-SG 3.07Å
43	R	86.9	Confident	79	Confident	20 Å²	20	52.9 Å²	52.9	8%	0.075	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-141.1	167.9	-178.9	-61.5	-65.5	177.1	-107.8	4.7	109.9	Y5 G7 W21 G35 H39 P45 P51 W52	Y5-R43 WeakPolarHBondContact O-CD 3.45Å; G7-R43 PolarHBondContact O-NH1 3.48Å; W21-R43 HydrophobicContact CH2-CB 4.32Å; W21-R43 HydrophobicContact CZ2-CB 3.68Å; W21-R43 HydrophobicContact CZ2-CG 3.98Å; G35-R43 VanDerWaalsContact O-CD 3.25Å; G35-R43 WeakPolarHBondContact O-CD 3.27Å; G35-R43 PolarHBondContact O-NE 3.29Å; H39-R43 PolarHBondContact CE1-NE 3.47Å; H39-R43 PolarHBondContact CE1-NH2 3.09Å; H39-R43 PolarHBondContact NE2-NE 3.34Å; H39-R43 PolarHBondContact NE2-NH2 3.39Å; R43-P45 VanDerWaalsContact C-CD 3.41Å; R43-P51 WeakPolarHBondContact O-CA 3.02Å; R43-W52 PolarHBondContact N-O 3.23Å; R43-W52 PolarHBondContact O-N 2.98Å; R43-W52 VanDerWaalsContact O-O 3.07Å
44	N	85.1	Confident	80	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.053	25%	0.252	C	S	.	.			trans	-129.3	60.2	171.3	65.3	-23	0	0	0	111.3	G3 S4 Y5 D46 G47 R48	G3-N44 PolarHBondContact O-ND2 2.77Å; S4-N44 VanDerWaalsContact CA-OD1 3.27Å; S4-N44 WeakPolarHBondContact CA-OD1 3.24Å; Y5-N44 PolarHBondContact N-OD1 3.44Å; N44-D46 PolarHBondContact O-N 3.47Å; N44-D46 VanDerWaalsContact O-N 3.09Å; N44-G47 PolarHBondContact O-N 3.41Å; N44-R48 WeakPolarHBondContact CB-O 3.22Å; N44-R48 PolarHBondContact ND2-O 3.18Å
45	P	77.6	Confident	80.7	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.032	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	-172.7	28	-34.9	0	0	0	113.9	F27 Y31 R34 I36 R43 G47 W52	F27-P45 HydrophobicContact CE1-CG 4.01Å; Y31-P45 HydrophobicContact CD1-CB 4.43Å; Y31-P45 WeakPolarHBondContact CD1-O 3.26Å; Y31-P45 HydrophobicContact CG-CB 4.12Å; R34-P45 HydrophobicContact CB-CB 3.8Å; R34-P45 HydrophobicContact CG-CB 4.49Å; I36-P45 HydrophobicContact CD1-CB 3.52Å; I36-P45 HydrophobicContact CD1-CG 3.74Å; I36-P45 HydrophobicContact CG1-CB 3.94Å; I36-P45 HydrophobicContact CG1-CG 4.26Å; R43-P45 VanDerWaalsContact C-CD 3.41Å; P45-G47 VanDerWaalsContact C-N 3.32Å; P45-W52 HydrophobicContact CG-CZ2 4.24Å
46	D	75	Confident	81.5	Confident	50 Å²	50	52.3 Å²	52.3	27%	0.267	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.8	176.1	61.6	-16.3	0	0	0	113.9	N44 R48 W52	N44-D46 PolarHBondContact O-N 3.47Å; N44-D46 VanDerWaalsContact O-N 3.09Å; D46-R48 VanDerWaalsContact C-N 3.26Å; D46-R48 PolarHBondContact O-N 2.87Å; D46-R48 PolarHBondContact OD1-N 3.47Å; D46-R48 WeakPolarHBondContact OD2-CD 3.46Å; D46-R48 WeakPolarHBondContact OD2-CG 2.98Å; D46-R48 IonicContact OD2-CZ 2.85Å; D46-R48 IonicContact OD2-NE 3Å; D46-R48 PolarHBondContact OD2-NE 2.78Å; D46-W52 PolarHBondContact OD1-NE1 2.01Å
47	G	67.2	Low	81.5	Confident	57 Å²	57	53 Å²	53	59%	0.588	26%	0.257	S	S	*	.			trans	74.6	11.7	178.9	0	0	0	0	0	114.4	N44 P45	N44-G47 PolarHBondContact O-N 3.41Å; P45-G47 VanDerWaalsContact C-N 3.32Å
48	R	66.5	Low	81.4	Confident	135 Å²	135	60.6 Å²	60.6	51%	0.509	29%	0.288	S	S	.	.			trans	-73.1	154.7	173.5	-66.7	-174.9	-168.4	-173.9	-0.7	111.1	N44 D46 R50	N44-R48 WeakPolarHBondContact CB-O 3.22Å; N44-R48 PolarHBondContact ND2-O 3.18Å; D46-R48 VanDerWaalsContact C-N 3.26Å; D46-R48 PolarHBondContact O-N 2.87Å; D46-R48 PolarHBondContact OD1-N 3.47Å; D46-R48 WeakPolarHBondContact OD2-CD 3.46Å; D46-R48 WeakPolarHBondContact OD2-CG 2.98Å; D46-R48 IonicContact OD2-CZ 2.85Å; D46-R48 IonicContact OD2-NE 3Å; D46-R48 PolarHBondContact OD2-NE 2.78Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.03Å
49	I	65.1	Low	81.3	Confident	170 Å²	170	60.3 Å²	60.3	87%	0.872	28%	0.284	S	S	*	.	S	Bend	trans	-68.1	-32.8	-176.3	-60.1	172.6	0	0	0	112
50	R	73.1	Confident	81.2	Confident	109 Å²	109	60.2 Å²	60.2	41%	0.411	30%	0.295	S	S	.	.	S	Bend	trans	-98.1	124.7	-175.9	-64.6	177.2	76.6	-167.4	7.9	110.8	E13 R48 Y66	E13-R50 IonicContact OE1-CZ 3.34Å; E13-R50 IonicContact OE1-NH2 3.38Å; E13-R50 PolarHBondContact OE1-NH2 3.36Å; E13-R50 IonicContact OE2-CZ 3.52Å; E13-R50 IonicContact OE2-NH2 2.61Å; E13-R50 PolarHBondContact OE2-NH2 3.42Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.03Å; R50-Y66 HydrophobicContact CB-CD1 3.61Å; R50-Y66 HydrophobicContact CB-CE1 3.83Å
51	P	82	Confident	81.1	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.052	32%	0.319	C	S	.	.			trans	-71.9	149.9	172.6	32.2	-34.5	0	0	0	110.7	Y5 C42 R43 C67 C69	Y5-P51 HydrophobicContact CD1-CB 3.43Å; Y5-P51 VanDerWaalsContact CD1-CB 3.43Å; Y5-P51 HydrophobicContact CD1-CG 3.81Å; Y5-P51 HydrophobicContact CD2-CB 4.48Å; Y5-P51 HydrophobicContact CD2-CG 4.11Å; Y5-P51 HydrophobicContact CE1-CB 4.03Å; Y5-P51 HydrophobicContact CE1-CG 4.11Å; Y5-P51 HydrophobicContact CE2-CG 4.39Å; Y5-P51 HydrophobicContact CG-CB 3.69Å; Y5-P51 HydrophobicContact CG-CG 3.81Å; C42-P51 HydrophobicContact CB-CB 4.08Å; R43-P51 WeakPolarHBondContact O-CA 3.02Å; P51-C67 PolarHBondContact O-N 2.83Å; P51-C69 WeakPolarHBondContact CG-SG 3.39Å
52	W	88.6	Confident	81.2	Confident	20 Å²	20	68 Å²	68	8%	0.076	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	167.3	-175.4	60.8	-88.3	0	0	0	109.5	W21 F27 C42 R43 P45 D46 F54 W64 G65 Y66	W21-W52 HydrophobicContact CH2-CD2 4.24Å; W21-W52 AromaticContact CH2-CE3 3.91Å; W21-W52 HydrophobicContact CH2-CE3 3.91Å; W21-W52 AromaticContact CH2-CH2 4Å; W21-W52 HydrophobicContact CH2-CH2 4Å; W21-W52 HydrophobicContact CH2-CZ2 4.32Å; W21-W52 AromaticContact CH2-CZ3 3.78Å; W21-W52 HydrophobicContact CH2-CZ3 3.78Å; W21-W52 WeakPolarHBondContact CH2-O 3.3Å; W21-W52 VanDerWaalsContact CZ2-O 3.3Å; W21-W52 WeakPolarHBondContact CZ2-O 3.49Å; W21-W52 HydrophobicContact CZ3-CE3 4.39Å; W21-W52 AromaticContact CZ3-CH2 3.78Å; W21-W52 HydrophobicContact CZ3-CH2 3.78Å; W21-W52 HydrophobicContact CZ3-CZ2 4.38Å; W21-W52 AromaticContact CZ3-CZ3 3.78Å; W21-W52 HydrophobicContact CZ3-CZ3 3.78Å; F27-W52 HydrophobicContact CE1-CH2 4.16Å; F27-W52 HydrophobicContact CE2-CH2 4.37Å; F27-W52 AromaticContact CZ-CH2 3.64Å; F27-W52 HydrophobicContact CZ-CH2 3.64Å; F27-W52 HydrophobicContact CZ-CZ2 4.02Å; C42-W52 WeakPolarHBondContact CA-O 2.99Å; R43-W52 PolarHBondContact N-O 3.23Å; R43-W52 PolarHBondContact O-N 2.98Å; R43-W52 VanDerWaalsContact O-O 3.07Å; P45-W52 HydrophobicContact CG-CZ2 4.24Å; D46-W52 PolarHBondContact OD1-NE1 2.01Å; W52-F54 AromaticContact CH2-CE2 3.95Å; W52-F54 HydrophobicContact CH2-CE2 3.95Å; W52-F54 AromaticContact CH2-CZ 3.81Å; W52-F54 HydrophobicContact CH2-CZ 3.81Å; W52-F54 HydrophobicContact CZ3-CD1 4.36Å; W52-F54 HydrophobicContact CZ3-CD2 4.12Å; W52-F54 AromaticContact CZ3-CE1 3.96Å; W52-F54 HydrophobicContact CZ3-CE1 3.96Å; W52-F54 AromaticContact CZ3-CE2 3.71Å; W52-F54 HydrophobicContact CZ3-CE2 3.71Å; W52-F54 HydrophobicContact CZ3-CG 4.44Å; W52-F54 AromaticContact CZ3-CZ 3.62Å; W52-F54 HydrophobicContact CZ3-CZ 3.62Å; W52-W64 HydrophobicContact CE3-CB 4.06Å; W52-W64 HydrophobicContact CE3-CE3 4.4Å; W52-W64 HydrophobicContact CZ3-CB 4.1Å; W52-G65 VanDerWaalsContact CA-O 3.24Å; W52-G65 WeakPolarHBondContact CA-O 3.39Å; W52-G65 VanDerWaalsContact CB-O 3.22Å; W52-G65 WeakPolarHBondContact CB-O 3.35Å; W52-Y66 HydrophobicContact CB-CD1 3.99Å; W52-Y66 HydrophobicContact CB-CE1 4.44Å
53	C	89.4	Confident	81.3	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.4	175.4	72.6	0	0	0	0	110.9	C18 W21 W64 G65	C18-C53 VanDerWaalsContact CA-SG 3.56Å; C18-C53 HydrophobicContact CB-CB 3.55Å; C18-C53 WeakPolarHBondContact CB-SG 2.88Å; C18-C53 WeakPolarHBondContact SG-CB 3.31Å; C18-C53 CovalentContact SG-SG 2.01Å; C18-C53 PolarHBondContact SG-SG 3.47Å; W21-C53 HydrophobicContact CZ2-CB 4.34Å; C53-W64 WeakPolarHBondContact O-CA 3.11Å; C53-G65 PolarHBondContact N-O 3.42Å; C53-G65 PolarHBondContact O-N 3.15Å
54	F	90.3	Very high	81.4	Confident	25 Å²	25	76.2 Å²	76.2	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.8	166.4	-67.3	-72.5	0	0	0	110.4	C18 M19 W21 V24 F27 W52 V62 D63 W64	C18-F54 CarbonylContact C-O 3.49Å; C18-F54 VanDerWaalsContact CA-O 3.31Å; C18-F54 WeakPolarHBondContact CA-O 3.35Å; M19-F54 PolarHBondContact N-O 2.77Å; W21-F54 AromaticContact CE3-CD2 3.8Å; W21-F54 HydrophobicContact CE3-CD2 3.8Å; W21-F54 AromaticContact CE3-CE2 3.83Å; W21-F54 HydrophobicContact CE3-CE2 3.83Å; W21-F54 HydrophobicContact CH2-CD2 4.48Å; W21-F54 AromaticContact CZ3-CD2 3.68Å; W21-F54 HydrophobicContact CZ3-CD2 3.68Å; W21-F54 AromaticContact CZ3-CE2 3.55Å; W21-F54 HydrophobicContact CZ3-CE2 3.55Å; V24-F54 HydrophobicContact CB-CD2 4.37Å; V24-F54 HydrophobicContact CB-CE2 4.3Å; V24-F54 HydrophobicContact CG1-CE2 4.2Å; V24-F54 HydrophobicContact CG1-CZ 4.25Å; V24-F54 HydrophobicContact CG2-CB 4.25Å; V24-F54 HydrophobicContact CG2-CD1 4.4Å; V24-F54 HydrophobicContact CG2-CD2 3.66Å; V24-F54 HydrophobicContact CG2-CE2 4.03Å; V24-F54 HydrophobicContact CG2-CG 3.85Å; F27-F54 HydrophobicContact CD1-CE2 4.36Å; F27-F54 HydrophobicContact CD2-CE2 4.38Å; F27-F54 HydrophobicContact CD2-CZ 4.29Å; F27-F54 HydrophobicContact CE1-CE2 4.4Å; F27-F54 HydrophobicContact CE2-CE2 4.42Å; F27-F54 HydrophobicContact CE2-CZ 4.16Å; F27-F54 HydrophobicContact CG-CE2 4.35Å; F27-F54 HydrophobicContact CZ-CE2 4.44Å; F27-F54 HydrophobicContact CZ-CZ 4.46Å; W52-F54 AromaticContact CH2-CE2 3.95Å; W52-F54 HydrophobicContact CH2-CE2 3.95Å; W52-F54 AromaticContact CH2-CZ 3.81Å; W52-F54 HydrophobicContact CH2-CZ 3.81Å; W52-F54 HydrophobicContact CZ3-CD1 4.36Å; W52-F54 HydrophobicContact CZ3-CD2 4.12Å; W52-F54 AromaticContact CZ3-CE1 3.96Å; W52-F54 HydrophobicContact CZ3-CE1 3.96Å; W52-F54 AromaticContact CZ3-CE2 3.71Å; W52-F54 HydrophobicContact CZ3-CE2 3.71Å; W52-F54 HydrophobicContact CZ3-CG 4.44Å; W52-F54 AromaticContact CZ3-CZ 3.62Å; W52-F54 HydrophobicContact CZ3-CZ 3.62Å; F54-V62 HydrophobicContact CB-CG1 4.07Å; F54-V62 HydrophobicContact CD1-CG1 3.89Å; F54-V62 HydrophobicContact CG-CG1 4.24Å; F54-D63 CarbonylContact C-O 3.59Å; F54-D63 VanDerWaalsContact CA-O 3.25Å; F54-D63 WeakPolarHBondContact CA-O 3.46Å; F54-W64 HydrophobicContact CD1-CB 3.88Å; F54-W64 HydrophobicContact CE1-CB 4.04Å
55	F	90.1	Very high	81.3	Confident	21 Å²	21	76.3 Å²	76.3	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160	173.5	70.6	-84.5	0	0	0	110.8	T12 R17 M19 N57 D63	T12-F55 HydrophobicContact CG2-CD1 3.71Å; T12-F55 HydrophobicContact CG2-CE1 4.24Å; T12-F55 HydrophobicContact CG2-CG 4.29Å; R17-F55 VanDerWaalsContact O-CB 3.3Å; R17-F55 WeakPolarHBondContact O-CB 3.17Å; M19-F55 VanDerWaalsContact SD-C 3.5Å; F55-N57 HydrophobicContact CE2-CB 4.15Å; F55-D63 HydrophobicContact CE1-CB 4.12Å; F55-D63 HydrophobicContact CE2-CB 4.41Å; F55-D63 HydrophobicContact CZ-CB 3.99Å; F55-D63 PolarHBondContact N-O 3.36Å; F55-D63 PolarHBondContact O-N 2.01Å
56	R	88.6	Confident	81.5	Confident	139 Å²	139	79 Å²	79	53%	0.525	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.1	170.7	-63.9	-166	179.9	-100.2	-2.3	109.5	M19 E23 G60 R61	M19-R56 HydrophobicContact CE-CG 3.84Å; M19-R56 HydrophobicContact CG-CG 4.12Å; M19-R56 HydrophobicContact SD-CB 4.32Å; M19-R56 HydrophobicContact SD-CG 3.31Å; M19-R56 WeakPolarHBondContact SD-CG 3.38Å; E23-R56 IonicContact OE2-NH2 3.5Å; R56-G60 PolarHBondContact NH1-O 3.09Å; R56-R61 WeakPolarHBondContact CA-O 3.43Å
57	N	82.4	Confident	81.8	Confident	33 Å²	33	76.8 Å²	76.8	18%	0.176	37%	0.365	C	S	.	.			trans	-72.7	171.6	173.1	69	23.8	0	0	0	111.4	F55 K59 G60 R61	F55-N57 HydrophobicContact CE2-CB 4.15Å; N57-K59 PolarHBondContact O-N 3.23Å; N57-K59 WeakPolarHBondContact OD1-CA 3.34Å; N57-K59 PolarHBondContact OD1-N 3.33Å; N57-G60 PolarHBondContact O-N 3.34Å; N57-G60 PolarHBondContact OD1-N 2.79Å; N57-R61 PolarHBondContact N-O 3.02Å; N57-R61 PolarHBondContact OD1-N 3.41Å; N57-R61 PolarHBondContact OD1-O 2.95Å
58	H	79.5	Confident	81.8	Confident	176 Å²	176	75.1 Å²	75.1	82%	0.815	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-12	179.6	55.8	-87.2	0	0	0	114.5
59	K	81.9	Confident	81.7	Confident	155 Å²	155	71.6 Å²	71.6	67%	0.674	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	10.1	174.5	-56.3	-174.3	-179.1	178.9	0	112.9	N57 R61	N57-K59 PolarHBondContact O-N 3.23Å; N57-K59 WeakPolarHBondContact OD1-CA 3.34Å; N57-K59 PolarHBondContact OD1-N 3.33Å; K59-R61 PolarHBondContact O-N 2.83Å
60	G	79.5	Confident	81.5	Confident	41 Å²	41	69.9 Å²	69.9	42%	0.423	32%	0.324	S	S	.	.	S	Bend	trans	74.5	3.3	179.6	0	0	0	0	0	115.4	R56 N57	R56-G60 PolarHBondContact NH1-O 3.09Å; N57-G60 PolarHBondContact O-N 3.34Å; N57-G60 PolarHBondContact OD1-N 2.79Å
61	R	84.6	Confident	81.2	Confident	183 Å²	183	68 Å²	68	69%	0.691	32%	0.32	S	S	*	.			trans	-83.9	145.5	178.5	-62.7	-175.9	179.4	-176.3	-1.5	110.5	R56 N57 K59 D63	R56-R61 WeakPolarHBondContact CA-O 3.43Å; N57-R61 PolarHBondContact N-O 3.02Å; N57-R61 PolarHBondContact OD1-N 3.41Å; N57-R61 PolarHBondContact OD1-O 2.95Å; K59-R61 PolarHBondContact O-N 2.83Å; R61-D63 PolarHBondContact O-N 3.12Å
62	V	87.7	Confident	80.6	Confident	71 Å²	71	67.7 Å²	67.7	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.7	172.9	-177	0	0	0	0	108.6	M19 V24 F54	M19-V62 HydrophobicContact CE-CG2 4.02Å; M19-V62 HydrophobicContact SD-CG1 4.3Å; M19-V62 HydrophobicContact SD-CG2 4.15Å; V24-V62 HydrophobicContact CG2-CG1 4.22Å; F54-V62 HydrophobicContact CB-CG1 4.07Å; F54-V62 HydrophobicContact CD1-CG1 3.89Å; F54-V62 HydrophobicContact CG-CG1 4.24Å
63	D	86.6	Confident	80.1	Confident	70 Å²	70	68.8 Å²	68.8	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	173.7	174	-150.5	-17.4	0	0	0	109	F54 F55 R61	F54-D63 CarbonylContact C-O 3.59Å; F54-D63 VanDerWaalsContact CA-O 3.25Å; F54-D63 WeakPolarHBondContact CA-O 3.46Å; F55-D63 HydrophobicContact CE1-CB 4.12Å; F55-D63 HydrophobicContact CE2-CB 4.41Å; F55-D63 HydrophobicContact CZ-CB 3.99Å; F55-D63 PolarHBondContact N-O 3.36Å; F55-D63 PolarHBondContact O-N 2.01Å; R61-D63 PolarHBondContact O-N 3.12Å
64	W	88.4	Confident	79.7	Confident	123 Å²	123	69.4 Å²	69.4	47%	0.466	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.3	178.4	70.6	-83.6	0	0	0	111.7	W52 C53 F54 Y66	W52-W64 HydrophobicContact CE3-CB 4.06Å; W52-W64 HydrophobicContact CE3-CE3 4.4Å; W52-W64 HydrophobicContact CZ3-CB 4.1Å; C53-W64 WeakPolarHBondContact O-CA 3.11Å; F54-W64 HydrophobicContact CD1-CB 3.88Å; F54-W64 HydrophobicContact CE1-CB 4.04Å; W64-Y66 HydrophobicContact CH2-CE2 4.05Å; W64-Y66 HydrophobicContact CZ3-CD2 4.24Å; W64-Y66 HydrophobicContact CZ3-CE1 4.2Å; W64-Y66 AromaticContact CZ3-CE2 3.78Å; W64-Y66 HydrophobicContact CZ3-CE2 3.78Å; W64-Y66 AromaticContact CZ3-CZ 3.75Å
65	G	83.3	Confident	79.4	Confident	12 Å²	12	72.1 Å²	72.1	12%	0.124	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.5	-179.6	0	0	0	0	0	112.6	W52 C53	W52-G65 VanDerWaalsContact CA-O 3.24Å; W52-G65 WeakPolarHBondContact CA-O 3.39Å; W52-G65 VanDerWaalsContact CB-O 3.22Å; W52-G65 WeakPolarHBondContact CB-O 3.35Å; C53-G65 PolarHBondContact N-O 3.42Å; C53-G65 PolarHBondContact O-N 3.15Å
66	Y	82.6	Confident	79.2	Confident	61 Å²	61	72.7 Å²	72.7	24%	0.239	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.2	170.6	-68.3	-65.4	0	0	0	110.7	T12 E13 R50 W52 W64	T12-Y66 CarbonylContact C-O 3.6Å; T12-Y66 VanDerWaalsContact CA-O 3.27Å; T12-Y66 WeakPolarHBondContact CA-O 3.49Å; T12-Y66 WeakPolarHBondContact CB-O 3.42Å; E13-Y66 PolarHBondContact N-O 3.39Å; R50-Y66 HydrophobicContact CB-CD1 3.61Å; R50-Y66 HydrophobicContact CB-CE1 3.83Å; W52-Y66 HydrophobicContact CB-CD1 3.99Å; W52-Y66 HydrophobicContact CB-CE1 4.44Å; W64-Y66 HydrophobicContact CH2-CE2 4.05Å; W64-Y66 HydrophobicContact CZ3-CD2 4.24Å; W64-Y66 HydrophobicContact CZ3-CE1 4.2Å; W64-Y66 AromaticContact CZ3-CE2 3.78Å; W64-Y66 HydrophobicContact CZ3-CE2 3.78Å; W64-Y66 AromaticContact CZ3-CZ 3.75Å
67	C	79.7	Confident	78.8	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.02	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-102	137.3	179.2	-54.4	0	0	0	0	111.5	I9 V11 C42 P51 C69	I9-C67 HydrophobicContact CG2-CB 3.98Å; V11-C67 WeakPolarHBondContact O-CB 3.4Å; C42-C67 HydrophobicContact CB-CB 3.73Å; C42-C67 WeakPolarHBondContact CB-SG 3.12Å; C42-C67 WeakPolarHBondContact SG-CB 3.46Å; C42-C67 CovalentContact SG-SG 2.01Å; C42-C67 PolarHBondContact SG-SG 3.07Å; P51-C67 PolarHBondContact O-N 2.83Å; C67-C69 PolarHBondContact O-N 3.31Å; C67-C69 PolarHBondContact O-SG 3.13Å
68	D	68.3	Low	78.4	Confident	23 Å²	23	71.8 Å²	71.8	12%	0.123	37%	0.367	C	S	.	.			trans	-75.4	96.8	177.4	-172.7	-0.1	0	0	0	109.8	E13 K70 Q71	E13-D68 HydrophobicContact CG-CB 3.87Å; D68-K70 PolarHBondContact O-N 3.3Å; D68-K70 VanDerWaalsContact OD1-CB 3.31Å; D68-K70 WeakPolarHBondContact OD1-CB 3.35Å; D68-K70 PolarHBondContact OD1-N 2.6Å; D68-Q71 HydrophobicContact CB-CG 4.32Å
69	C	63.6	Low	78	Confident	60 Å²	60	65 Å²	65	41%	0.405	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	0.2	180	-57.4	0	0	0	0	113.9	I9 P51 C67	I9-C69 HydrophobicContact CD1-CB 4.29Å; P51-C69 WeakPolarHBondContact CG-SG 3.39Å; C67-C69 PolarHBondContact O-N 3.31Å; C67-C69 PolarHBondContact O-SG 3.13Å
70	K	61.2	Low	77.5	Confident	134 Å²	134	69.3 Å²	69.3	58%	0.583	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.1	179.6	-58.8	-176.3	179.8	-179.1	0	113	D68 G72 S73 Y90	D68-K70 PolarHBondContact O-N 3.3Å; D68-K70 VanDerWaalsContact OD1-CB 3.31Å; D68-K70 WeakPolarHBondContact OD1-CB 3.35Å; D68-K70 PolarHBondContact OD1-N 2.6Å; K70-G72 PolarHBondContact O-N 2.72Å; K70-S73 WeakPolarHBondContact CA-OG 3.38Å; K70-S73 VanDerWaalsContact O-CB 3.27Å; K70-S73 WeakPolarHBondContact O-CB 3.23Å; K70-S73 PolarHBondContact O-N 3.06Å; K70-S73 PolarHBondContact O-OG 3.12Å; K70-Y90 HydrophobicContact CB-CD1 3.9Å; K70-Y90 HydrophobicContact CB-CE1 3.96Å; K70-Y90 WeakPolarHBondContact O-CD1 3.22Å
71	Q	67.1	Low	77.1	Confident	70 Å²	70	70.5 Å²	70.5	33%	0.327	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.5	178	-68.1	-163.5	28.5	0	0	110.8	D68 S73	D68-Q71 HydrophobicContact CB-CG 4.32Å; Q71-S73 VanDerWaalsContact C-N 3.33Å
72	G	68.9	Low	76.6	Confident	2 Å²	2	70.1 Å²	70.1	2%	0.021	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-0.3	-176.2	0	0	0	0	0	115.2	K70 V74 Y90 Q114	K70-G72 PolarHBondContact O-N 2.72Å; G72-V74 PolarHBondContact O-N 2.79Å; G72-Y90 PolarHBondContact N-O 3Å; G72-Q114 PolarHBondContact O-NE2 2.71Å
73	S	77.8	Confident	76.1	Confident	42 Å²	42	68.8 Å²	68.8	29%	0.294	35%	0.352	S	S	.	.			trans	-59.4	139.4	174	-57.8	0	0	0	0	110.4	K70 Q71 V89 Y90 W95	K70-S73 WeakPolarHBondContact CA-OG 3.38Å; K70-S73 VanDerWaalsContact O-CB 3.27Å; K70-S73 WeakPolarHBondContact O-CB 3.23Å; K70-S73 PolarHBondContact O-N 3.06Å; K70-S73 PolarHBondContact O-OG 3.12Å; Q71-S73 VanDerWaalsContact C-N 3.33Å; S73-V89 CarbonylContact O-C 3.35Å; S73-V89 WeakPolarHBondContact O-CA 3.29Å; S73-Y90 PolarHBondContact O-N 2.85Å; S73-W95 VanDerWaalsContact O-CZ3 3.28Å; S73-W95 WeakPolarHBondContact O-CZ3 3.39Å
74	V	82.3	Confident	75.9	Confident	14 Å²	14	66.7 Å²	66.7	9%	0.085	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.3	178.2	-176.1	0	0	0	0	109.7	G72 V87 E88 V89 V111 L115 L150	G72-V74 PolarHBondContact O-N 2.79Å; V74-V87 HydrophobicContact CG1-CG1 3.69Å; V74-E88 CarbonylContact C-O 3.52Å; V74-E88 WeakPolarHBondContact CA-O 3.22Å; V74-V89 HydrophobicContact CG2-CG2 4.23Å; V74-V111 HydrophobicContact CG1-CG1 3.74Å; V74-V111 HydrophobicContact CG1-CG2 4.4Å; V74-L115 HydrophobicContact CB-CD2 4.29Å; V74-L115 HydrophobicContact CG1-CD1 4.47Å; V74-L115 WeakPolarHBondContact O-CD2 3.36Å; V74-L150 HydrophobicContact CG2-CD1 3.9Å; V74-L150 HydrophobicContact CG2-CG 4.32Å
75	R	84.1	Confident	75.8	Confident	82 Å²	82	61 Å²	61	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.3	168.1	73.2	-176.3	-176.1	-177.2	-0.4	111.1	Q77 E88 W95	R75-Q77 HydrophobicContact CG-CG 4.32Å; R75-E88 HydrophobicContact CG-CB 3.91Å; R75-E88 IonicContact CZ-OE2 3.71Å; R75-E88 PolarHBondContact N-O 2.91Å; R75-E88 IonicContact NE-OE2 3.24Å; R75-E88 PolarHBondContact NE-OE2 3.17Å; R75-E88 IonicContact NH2-OE2 3.17Å; R75-E88 PolarHBondContact NH2-OE2 3.11Å; R75-E88 PolarHBondContact O-N 3.17Å; R75-W95 HydrophobicContact CB-CH2 3.9Å; R75-W95 HydrophobicContact CB-CZ3 3.82Å; R75-W95 HydrophobicContact CG-CD2 4.24Å; R75-W95 HydrophobicContact CG-CE3 3.64Å; R75-W95 HydrophobicContact CG-CH2 3.87Å; R75-W95 HydrophobicContact CG-CZ2 4.44Å; R75-W95 HydrophobicContact CG-CZ3 3.44Å; R75-W95 VanDerWaalsContact CG-CZ3 3.44Å
76	L	84.4	Confident	76	Confident	32 Å²	32	64 Å²	64	17%	0.168	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.9	172.7	-54	-175.4	0	0	0	110.5	R86 V87 V111 L115 V169	L76-R86 CarbonylContact C-O 3.52Å; L76-R86 WeakPolarHBondContact CA-O 3.3Å; L76-V87 HydrophobicContact CD2-CG2 3.95Å; L76-V111 HydrophobicContact CD2-CG1 4.17Å; L76-L115 HydrophobicContact CD1-CD1 3.96Å; L76-L115 HydrophobicContact CD2-CD1 3.91Å; L76-L115 HydrophobicContact CG-CD1 3.62Å; L76-V169 HydrophobicContact CD1-CG1 3.93Å; L76-V169 HydrophobicContact CD2-CG1 3.39Å; L76-V169 HydrophobicContact CG-CG1 4.32Å
77	Q	81.8	Confident	76.4	Confident	79 Å²	79	61.1 Å²	61.1	37%	0.369	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.9	-178.3	-80.9	-69.8	-11.2	0	0	112.3	R75 G79 R86	R75-Q77 HydrophobicContact CG-CG 4.32Å; Q77-G79 VanDerWaalsContact C-N 3.32Å; Q77-G79 PolarHBondContact O-N 3.13Å; Q77-R86 PolarHBondContact N-O 3.47Å; Q77-R86 WeakPolarHBondContact O-CB 3.36Å; Q77-R86 PolarHBondContact O-N 2.06Å
78	G	72.8	Confident	76.8	Confident	75 Å²	75	62 Å²	62	77%	0.773	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	71.6	14.3	170.9	0	0	0	0	0	116.6
79	G	72.4	Confident	77.6	Confident	33 Å²	33	60.9 Å²	60.9	34%	0.34	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	178	170	0	0	0	0	0	113.1	Q77 S81 D84	Q77-G79 VanDerWaalsContact C-N 3.32Å; Q77-G79 PolarHBondContact O-N 3.13Å; G79-S81 VanDerWaalsContact C-N 3.34Å; G79-D84 WeakPolarHBondContact CA-O 3.41Å
80	R	69.8	Low	78.2	Confident	245 Å²	245	60.1 Å²	60.1	93%	0.925	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	-11.8	-169.3	-62.7	-179.3	-178.7	-175.5	-0.1	113.8	D84	R80-D84 PolarHBondContact N-OD2 2.96Å
81	S	71.8	Confident	78.8	Confident	67 Å²	67	55.3 Å²	55.3	47%	0.469	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	176.4	-178.8	77.4	0	0	0	0	110.2	G79 L83 D84	G79-S81 VanDerWaalsContact C-N 3.34Å; S81-L83 PolarHBondContact O-N 3.01Å; S81-L83 PolarHBondContact OG-N 3.13Å; S81-L83 VanDerWaalsContact OG-N 3.14Å; S81-D84 PolarHBondContact O-N 3.21Å; S81-D84 PolarHBondContact OG-N 3.03Å
82	K	73.6	Confident	78.8	Confident	175 Å²	175	55.3 Å²	55.3	76%	0.761	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.4	172.8	-66.4	-175.1	178.4	-178.3	0	113.6
83	L	77.4	Confident	78.6	Confident	43 Å²	43	57.2 Å²	57.2	23%	0.225	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.3	-178.1	-56.8	179.9	0	0	0	112.6	S81 E117 T170 C171	S81-L83 PolarHBondContact O-N 3.01Å; S81-L83 PolarHBondContact OG-N 3.13Å; S81-L83 VanDerWaalsContact OG-N 3.14Å; L83-E117 HydrophobicContact CD2-CB 3.69Å; L83-E117 HydrophobicContact CD2-CG 4.27Å; L83-E117 WeakPolarHBondContact CD2-O 3.22Å; L83-E117 WeakPolarHBondContact CD2-OE2 3.32Å; L83-T170 CarbonylContact O-C 3.6Å; L83-T170 WeakPolarHBondContact O-CA 3.34Å; L83-C171 HydrophobicContact CB-CB 4.29Å; L83-C171 HydrophobicContact CD2-CB 4.49Å; L83-C171 PolarHBondContact O-N 2.93Å
84	D	83.6	Confident	78.5	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.134	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.2	-174	178.9	50.6	0	0	0	109.7	G79 R80 S81 V169 T170	G79-D84 WeakPolarHBondContact CA-O 3.41Å; R80-D84 PolarHBondContact N-OD2 2.96Å; S81-D84 PolarHBondContact O-N 3.21Å; S81-D84 PolarHBondContact OG-N 3.03Å; D84-V169 WeakPolarHBondContact CA-O 3Å; D84-T170 HydrophobicContact CB-CG2 4.33Å; D84-T170 PolarHBondContact OD1-OG1 3.01Å
85	G	85.5	Confident	78.4	Confident	5 Å²	5	60.9 Å²	60.9	5%	0.052	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	175.6	173.4	0	0	0	0	0	114.4	A168 V169	G85-A168 VanDerWaalsContact O-CA 3.27Å; G85-A168 WeakPolarHBondContact O-CA 3.47Å; G85-A168 WeakPolarHBondContact O-CB 3.44Å; G85-V169 PolarHBondContact N-O 2.91Å; G85-V169 PolarHBondContact O-N 3.31Å
86	R	88.3	Confident	78.4	Confident	75 Å²	75	57 Å²	57	28%	0.283	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.8	175.3	-174.6	179.1	61.8	-97	-4.7	110.2	L76 Q77 E88 V126 A166 A167	L76-R86 CarbonylContact C-O 3.52Å; L76-R86 WeakPolarHBondContact CA-O 3.3Å; Q77-R86 PolarHBondContact N-O 3.47Å; Q77-R86 WeakPolarHBondContact O-CB 3.36Å; Q77-R86 PolarHBondContact O-N 2.06Å; R86-E88 IonicContact CZ-OE1 3.53Å; R86-E88 IonicContact NE-OE1 2.92Å; R86-E88 IonicContact NH2-OE1 2.77Å; R86-E88 PolarHBondContact NH2-OE1 3.13Å; R86-V126 HydrophobicContact CB-CG2 4.11Å; R86-V126 HydrophobicContact CG-CG2 4.08Å; R86-A166 HydrophobicContact CG-CB 3.79Å; R86-A167 WeakPolarHBondContact CG-O 3.36Å
87	V	89.8	Confident	78.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.6	-180	-177.7	0	0	0	0	109.8	V74 L76 V89 V98 W103 V111 L150 A167 V169	V74-V87 HydrophobicContact CG1-CG1 3.69Å; L76-V87 HydrophobicContact CD2-CG2 3.95Å; V87-V89 HydrophobicContact CG1-CG2 4.45Å; V87-V98 HydrophobicContact CG1-CG2 4.42Å; V87-W103 HydrophobicContact CG2-CZ2 3.98Å; V87-V111 HydrophobicContact CG1-CG1 4.47Å; V87-V111 HydrophobicContact CG1-CG2 4.12Å; V87-V111 HydrophobicContact CG2-CG1 4.29Å; V87-L150 HydrophobicContact CG1-CD1 4.31Å; V87-A167 HydrophobicContact CB-CB 4.49Å; V87-A167 PolarHBondContact N-O 3.47Å; V87-V169 HydrophobicContact CG2-CB 4.26Å; V87-V169 HydrophobicContact CG2-CG1 3.74Å
88	E	87.9	Confident	78.8	Confident	20 Å²	20	52.1 Å²	52.1	9%	0.093	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.3	170.4	-68.5	179.3	-173.4	0	0	109.9	V74 R75 R86 W95 G96	V74-E88 CarbonylContact C-O 3.52Å; V74-E88 WeakPolarHBondContact CA-O 3.22Å; R75-E88 HydrophobicContact CG-CB 3.91Å; R75-E88 IonicContact CZ-OE2 3.71Å; R75-E88 PolarHBondContact N-O 2.91Å; R75-E88 IonicContact NE-OE2 3.24Å; R75-E88 PolarHBondContact NE-OE2 3.17Å; R75-E88 IonicContact NH2-OE2 3.17Å; R75-E88 PolarHBondContact NH2-OE2 3.11Å; R75-E88 PolarHBondContact O-N 3.17Å; R86-E88 IonicContact CZ-OE1 3.53Å; R86-E88 IonicContact NE-OE1 2.92Å; R86-E88 IonicContact NH2-OE1 2.77Å; R86-E88 PolarHBondContact NH2-OE1 3.13Å; E88-W95 HydrophobicContact CB-CE3 3.99Å; E88-W95 WeakPolarHBondContact O-CZ3 3.21Å; E88-G96 CarbonylContact C-O 3.59Å; E88-G96 WeakPolarHBondContact CA-O 3.42Å
89	V	85.4	Confident	79.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.2	-179.5	-169.7	0	0	0	0	109.4	S73 V74 V87 L91 W95 G96 V98 H137 W138 L150	S73-V89 CarbonylContact O-C 3.35Å; S73-V89 WeakPolarHBondContact O-CA 3.29Å; V74-V89 HydrophobicContact CG2-CG2 4.23Å; V87-V89 HydrophobicContact CG1-CG2 4.45Å; V89-L91 HydrophobicContact CG1-CD2 4.38Å; V89-L91 HydrophobicContact CG1-CG 4.17Å; V89-W95 WeakPolarHBondContact O-CA 3.22Å; V89-G96 PolarHBondContact N-O 3.02Å; V89-G96 PolarHBondContact O-N 3.14Å; V89-V98 HydrophobicContact CG2-CG2 3.68Å; V89-H137 PolarHBondContact O-CD2 3.18Å; V89-H137 PolarHBondContact O-NE2 3.43Å; V89-W138 HydrophobicContact CB-CH2 4.36Å; V89-W138 HydrophobicContact CB-CZ3 4.25Å; V89-W138 HydrophobicContact CG1-CH2 3.67Å; V89-W138 HydrophobicContact CG1-CZ2 4.3Å; V89-W138 HydrophobicContact CG1-CZ3 3.99Å; V89-W138 HydrophobicContact CG2-CE3 4.23Å; V89-W138 HydrophobicContact CG2-CH2 4.29Å; V89-W138 HydrophobicContact CG2-CZ3 3.73Å; V89-L150 HydrophobicContact CG2-CD1 4.05Å
90	Y	77.2	Confident	79.7	Confident	44 Å²	44	47.6 Å²	47.6	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.4	177.8	-169.8	-100.4	0	0	0	110.9	K70 G72 S73 G93 W95	K70-Y90 HydrophobicContact CB-CD1 3.9Å; K70-Y90 HydrophobicContact CB-CE1 3.96Å; K70-Y90 WeakPolarHBondContact O-CD1 3.22Å; G72-Y90 PolarHBondContact N-O 3Å; S73-Y90 PolarHBondContact O-N 2.85Å; Y90-G93 VanDerWaalsContact CE2-C 3.49Å; Y90-G93 WeakPolarHBondContact OH-CA 3.38Å; Y90-G93 PolarHBondContact OH-O 3.46Å; Y90-W95 AromaticContact CD2-CD1 3.71Å; Y90-W95 AromaticContact CD2-CD2 3.87Å; Y90-W95 HydrophobicContact CD2-CD2 3.87Å; Y90-W95 AromaticContact CD2-CE2 3.61Å; Y90-W95 AromaticContact CD2-CG 3.95Å; Y90-W95 HydrophobicContact CD2-CG 3.95Å; Y90-W95 HydrophobicContact CD2-CZ2 4.18Å; Y90-W95 AromaticContact CD2-NE1 3.49Å; Y90-W95 AromaticContact CE2-NE1 3.97Å; Y90-W95 HydrophobicContact CG-CD2 4.44Å; Y90-W95 HydrophobicContact CG-CZ2 4.38Å
91	L	73.8	Confident	79.9	Confident	33 Å²	33	39.5 Å²	39.5	17%	0.173	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.3	177.4	-60.5	173.7	0	0	0	109.9	V89 G93 V94 H137 W138 L151	V89-L91 HydrophobicContact CG1-CD2 4.38Å; V89-L91 HydrophobicContact CG1-CG 4.17Å; L91-G93 PolarHBondContact O-N 3.31Å; L91-G93 VanDerWaalsContact O-N 3.15Å; L91-V94 PolarHBondContact N-O 3.1Å; L91-V94 VanDerWaalsContact N-O 3.07Å; L91-V94 WeakPolarHBondContact O-CG2 2.96Å; L91-V94 PolarHBondContact O-N 2.81Å; L91-V94 VanDerWaalsContact O-N 3.08Å; L91-H137 HydrophobicContact CD1-CB 3.81Å; L91-W138 VanDerWaalsContact CD1-CE2 3.49Å; L91-W138 HydrophobicContact CD1-CH2 4.41Å; L91-W138 HydrophobicContact CD1-CZ2 3.43Å; L91-W138 VanDerWaalsContact CD1-CZ2 3.43Å; L91-W138 HydrophobicContact CD2-CZ2 4.1Å; L91-W138 HydrophobicContact CG-CZ2 4.25Å; L91-L151 HydrophobicContact CD2-CD2 3.82Å
92	G	67.3	Low	80.1	Confident	71 Å²	71	41.2 Å²	41.2	73%	0.732	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	33.5	173.7	0	0	0	0	0	114.5
93	G	64	Low	80.8	Confident	41 Å²	41	33.9 Å²	33.9	42%	0.423	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	0.9	179.4	0	0	0	0	0	115.7	Y90 L91	Y90-G93 VanDerWaalsContact CE2-C 3.49Å; Y90-G93 WeakPolarHBondContact OH-CA 3.38Å; Y90-G93 PolarHBondContact OH-O 3.46Å; L91-G93 PolarHBondContact O-N 3.31Å; L91-G93 VanDerWaalsContact O-N 3.15Å
94	V	76.1	Confident	81.2	Confident	51 Å²	51	37.1 Å²	37.1	31%	0.309	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.6	-174.9	-65.1	0	0	0	0	112.7	L91 H137	L91-V94 PolarHBondContact N-O 3.1Å; L91-V94 VanDerWaalsContact N-O 3.07Å; L91-V94 WeakPolarHBondContact O-CG2 2.96Å; L91-V94 PolarHBondContact O-N 2.81Å; L91-V94 VanDerWaalsContact O-N 3.08Å; V94-H137 PolarHBondContact O-NE2 2.85Å
95	W	79.7	Confident	81.3	Confident	82 Å²	82	39.9 Å²	39.9	31%	0.311	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.3	170.8	-68.7	95.1	0	0	0	110	S73 R75 E88 V89 Y90	S73-W95 VanDerWaalsContact O-CZ3 3.28Å; S73-W95 WeakPolarHBondContact O-CZ3 3.39Å; R75-W95 HydrophobicContact CB-CH2 3.9Å; R75-W95 HydrophobicContact CB-CZ3 3.82Å; R75-W95 HydrophobicContact CG-CD2 4.24Å; R75-W95 HydrophobicContact CG-CE3 3.64Å; R75-W95 HydrophobicContact CG-CH2 3.87Å; R75-W95 HydrophobicContact CG-CZ2 4.44Å; R75-W95 HydrophobicContact CG-CZ3 3.44Å; R75-W95 VanDerWaalsContact CG-CZ3 3.44Å; E88-W95 HydrophobicContact CB-CE3 3.99Å; E88-W95 WeakPolarHBondContact O-CZ3 3.21Å; V89-W95 WeakPolarHBondContact O-CA 3.22Å; Y90-W95 AromaticContact CD2-CD1 3.71Å; Y90-W95 AromaticContact CD2-CD2 3.87Å; Y90-W95 HydrophobicContact CD2-CD2 3.87Å; Y90-W95 AromaticContact CD2-CE2 3.61Å; Y90-W95 AromaticContact CD2-CG 3.95Å; Y90-W95 HydrophobicContact CD2-CG 3.95Å; Y90-W95 HydrophobicContact CD2-CZ2 4.18Å; Y90-W95 AromaticContact CD2-NE1 3.49Å; Y90-W95 AromaticContact CE2-NE1 3.97Å; Y90-W95 HydrophobicContact CG-CD2 4.44Å; Y90-W95 HydrophobicContact CG-CZ2 4.38Å
96	G	84.3	Confident	81.3	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.2	174.7	0	0	0	0	0	111	E88 V89 R135 H137	E88-G96 CarbonylContact C-O 3.59Å; E88-G96 WeakPolarHBondContact CA-O 3.42Å; V89-G96 PolarHBondContact N-O 3.02Å; V89-G96 PolarHBondContact O-N 3.14Å; G96-R135 CarbonylContact C-O 3.57Å; G96-R135 WeakPolarHBondContact CA-O 3.35Å; G96-H137 WeakPolarHBondContact CA-CD2 3.26Å; G96-H137 WeakPolarHBondContact CA-NE2 3.17Å; G96-H137 PolarHBondContact N-CD2 2.89Å; G96-H137 VanDerWaalsContact N-CD2 3.3Å; G96-H137 PolarHBondContact N-NE2 3.07Å; G96-H137 VanDerWaalsContact N-NE2 3.19Å
97	S	86.7	Confident	81.3	Confident	8 Å²	8	40.7 Å²	40.7	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	160.6	-177.4	-66.2	0	0	0	0	112.2	R135 L136 H137	S97-R135 PolarHBondContact N-O 2.94Å; S97-L136 WeakPolarHBondContact O-CA 3.26Å; S97-H137 PolarHBondContact O-N 3Å
98	V	87.7	Confident	81.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.6	169.4	-176.7	0	0	0	0	108.2	V87 V89 W103 W138 V141 A167	V87-V98 HydrophobicContact CG1-CG2 4.42Å; V89-V98 HydrophobicContact CG2-CG2 3.68Å; V98-W103 HydrophobicContact CG1-CE3 4.17Å; V98-W103 HydrophobicContact CG1-CZ3 4.08Å; V98-W138 HydrophobicContact CG1-CB 4.37Å; V98-W138 HydrophobicContact CG2-CE3 3.75Å; V98-W138 HydrophobicContact CG2-CZ3 4.38Å; V98-V141 HydrophobicContact CG1-CG2 3.69Å; V98-A167 HydrophobicContact CB-CB 3.99Å; V98-A167 HydrophobicContact CG1-CB 4.24Å; V98-A167 WeakPolarHBondContact O-CB 3.25Å; V98-A167 PolarHBondContact O-N 3.45Å
99	C	84.9	Confident	80.9	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-65.6	142	174.2	-171.2	0	0	0	0	110.5	N101 L136 W138 L139 C163	C99-N101 VanDerWaalsContact C-N 3.29Å; C99-L136 HydrophobicContact CB-CD2 3.83Å; C99-W138 WeakPolarHBondContact CB-O 3.44Å; C99-W138 PolarHBondContact N-O 3.15Å; C99-L139 WeakPolarHBondContact CB-O 3.25Å; C99-C163 WeakPolarHBondContact CA-SG 3.48Å; C99-C163 HydrophobicContact CB-CB 4.01Å; C99-C163 WeakPolarHBondContact CB-SG 3.27Å; C99-C163 WeakPolarHBondContact SG-CB 3.18Å; C99-C163 CovalentContact SG-SG 2.03Å; C99-C163 PolarHBondContact SG-SG 2.82Å
100	G	78.8	Confident	80.8	Confident	12 Å²	12	40 Å²	40	12%	0.124	23%	0.228	C	C	.	.			trans	-83.2	-1.8	178.5	0	0	0	0	0	114.2	D102 W103 L165	G100-D102 PolarHBondContact O-N 3.08Å; G100-W103 PolarHBondContact O-N 2.89Å; G100-L165 PolarHBondContact N-O 3.45Å
101	N	74.3	Confident	81.2	Confident	76 Å²	76	37.9 Å²	37.9	41%	0.406	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	127.3	174.5	-64.7	-10.5	0	0	0	108.1	C99 W103	C99-N101 VanDerWaalsContact C-N 3.29Å; N101-W103 PolarHBondContact O-N 2.76Å
102	D	76.3	Confident	81.6	Confident	102 Å²	102	36.3 Å²	36.3	55%	0.545	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	21.9	-174.5	-59.4	-35.3	0	0	0	115.8	G100 K104	G100-D102 PolarHBondContact O-N 3.08Å; D102-K104 PolarHBondContact O-N 3.11Å
103	W	88.3	Confident	82.2	Confident	22 Å²	22	36.8 Å²	36.8	8%	0.083	19%	0.191	C	C	.	.			trans	-79.8	111.9	173.7	-175.3	-108.6	0	0	0	111.2	V87 V98 G100 N101 D107 A108 V111 A123 V141 L150 A167 A168	V87-W103 HydrophobicContact CG2-CZ2 3.98Å; V98-W103 HydrophobicContact CG1-CE3 4.17Å; V98-W103 HydrophobicContact CG1-CZ3 4.08Å; G100-W103 PolarHBondContact O-N 2.89Å; N101-W103 PolarHBondContact O-N 2.76Å; W103-D107 HydrophobicContact CD2-CB 4.01Å; W103-D107 HydrophobicContact CE3-CB 3.65Å; W103-D107 HydrophobicContact CH2-CB 3.74Å; W103-D107 HydrophobicContact CZ2-CB 4.09Å; W103-D107 HydrophobicContact CZ3-CB 3.53Å; W103-A108 HydrophobicContact CZ2-CB 4.36Å; W103-V111 HydrophobicContact CH2-CG2 3.6Å; W103-V111 HydrophobicContact CZ2-CG2 3.87Å; W103-A123 VanDerWaalsContact CD1-CB 3.43Å; W103-A123 HydrophobicContact CG-CB 4.3Å; W103-A123 WeakPolarHBondContact O-CB 3.27Å; W103-V141 HydrophobicContact CE3-CB 4.45Å; W103-V141 HydrophobicContact CZ3-CB 4.1Å; W103-V141 HydrophobicContact CZ3-CG2 4.42Å; W103-L150 HydrophobicContact CH2-CD1 4.24Å; W103-L150 HydrophobicContact CH2-CD2 4.16Å; W103-L150 HydrophobicContact CZ3-CD2 4.45Å; W103-A167 HydrophobicContact CB-CB 4.3Å; W103-A167 HydrophobicContact CD2-CB 3.53Å; W103-A167 HydrophobicContact CE3-CB 3.9Å; W103-A167 HydrophobicContact CG-CB 3.7Å; W103-A167 HydrophobicContact CZ2-CB 4.4Å; W103-A167 HydrophobicContact CZ3-CB 4.45Å; W103-A168 PolarHBondContact NE1-O 2.57Å
104	K	85.6	Confident	83	Confident	111 Å²	111	37.3 Å²	37.3	48%	0.483	18%	0.183	S	C	.	.			trans	-112.9	168.2	-174.6	-57.7	-179.1	-177.2	176.2	0	113	D102 E106 D107 A108 A123	D102-K104 PolarHBondContact O-N 3.11Å; K104-E106 WeakPolarHBondContact CB-OE2 3.49Å; K104-E106 PolarHBondContact O-N 2.97Å; K104-D107 PolarHBondContact N-OD2 3.44Å; K104-D107 WeakPolarHBondContact O-CB 3.21Å; K104-D107 PolarHBondContact O-N 3.2Å; K104-A108 PolarHBondContact O-N 3.43Å; K104-A123 WeakPolarHBondContact O-CB 3.07Å
105	D	86	Confident	83	Confident	82 Å²	82	37.3 Å²	37.3	44%	0.439	18%	0.181	S	C	.	.	H	α-helix	trans	-61.1	-28	-177.5	-71.4	-12.2	0	0	0	111.9	A108 G109 A123	D105-A108 PolarHBondContact O-N 3.47Å; D105-G109 PolarHBondContact O-N 3.05Å; D105-A123 WeakPolarHBondContact OD1-CB 3.19Å; D105-A123 PolarHBondContact OD1-N 3.36Å
106	E	85.3	Confident	82.6	Confident	95 Å²	95	36.5 Å²	36.5	44%	0.444	20%	0.198	S	C	.	.	H	α-helix	trans	-66	-41.6	173.7	-59.6	79.8	-170.8	0	0	111.8	K104 G109 V110	K104-E106 WeakPolarHBondContact CB-OE2 3.49Å; K104-E106 PolarHBondContact O-N 2.97Å; E106-G109 PolarHBondContact O-N 3.02Å; E106-V110 PolarHBondContact O-N 2.83Å
107	D	87.4	Confident	81.8	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-43.3	175.4	-53	-63.1	0	0	0	111.4	W103 K104 G109 V110 V111 H142 C143	W103-D107 HydrophobicContact CD2-CB 4.01Å; W103-D107 HydrophobicContact CE3-CB 3.65Å; W103-D107 HydrophobicContact CH2-CB 3.74Å; W103-D107 HydrophobicContact CZ2-CB 4.09Å; W103-D107 HydrophobicContact CZ3-CB 3.53Å; K104-D107 PolarHBondContact N-OD2 3.44Å; K104-D107 WeakPolarHBondContact O-CB 3.21Å; K104-D107 PolarHBondContact O-N 3.2Å; D107-G109 VanDerWaalsContact C-N 3.3Å; D107-G109 PolarHBondContact O-N 2.78Å; D107-V110 PolarHBondContact O-N 2.9Å; D107-V111 PolarHBondContact O-N 2.97Å; D107-V111 VanDerWaalsContact O-N 3.12Å; D107-H142 WeakPolarHBondContact OD1-CA 2.97Å; D107-H142 PolarHBondContact OD1-N 2.94Å; D107-C143 WeakPolarHBondContact OD1-CB 3.38Å; D107-C143 PolarHBondContact OD1-N 3.02Å; D107-C143 PolarHBondContact OD1-SG 3.06Å; D107-C143 VanDerWaalsContact OD1-SG 3.42Å
108	A	87	Confident	80.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-37	174.8	0	0	0	0	0	112.1	W103 K104 D105 V111 C112 G121 A123 V169	W103-A108 HydrophobicContact CZ2-CB 4.36Å; K104-A108 PolarHBondContact O-N 3.43Å; D105-A108 PolarHBondContact O-N 3.47Å; A108-V111 PolarHBondContact O-N 2.8Å; A108-C112 PolarHBondContact O-N 3.21Å; A108-C112 PolarHBondContact O-SG 2.91Å; A108-G121 VanDerWaalsContact CB-O 3.31Å; A108-G121 WeakPolarHBondContact CB-O 3.3Å; A108-A123 HydrophobicContact CB-CB 4.03Å; A108-V169 HydrophobicContact CB-CB 4.18Å; A108-V169 HydrophobicContact CB-CG2 3.55Å
109	G	81.8	Confident	79.6	Confident	6 Å²	6	45.3 Å²	45.3	6%	0.062	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-45.7	173.7	0	0	0	0	0	112.6	D105 E106 D107 V111 C112 R113	D105-G109 PolarHBondContact O-N 3.05Å; E106-G109 PolarHBondContact O-N 3.02Å; D107-G109 VanDerWaalsContact C-N 3.3Å; D107-G109 PolarHBondContact O-N 2.78Å; G109-V111 VanDerWaalsContact C-N 3.34Å; G109-V111 PolarHBondContact O-N 2.76Å; G109-C112 PolarHBondContact O-N 3.39Å; G109-R113 WeakPolarHBondContact O-CB 3.43Å; G109-R113 PolarHBondContact O-N 3.35Å
110	V	84.9	Confident	79	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-40.4	175.4	174.6	0	0	0	0	111.2	E106 D107 R113 Q114 C143 E147 L150	E106-V110 PolarHBondContact O-N 2.83Å; D107-V110 PolarHBondContact O-N 2.9Å; V110-R113 PolarHBondContact O-N 2.85Å; V110-Q114 WeakPolarHBondContact O-CB 3.3Å; V110-Q114 PolarHBondContact O-N 2.99Å; V110-C143 HydrophobicContact CG2-CB 3.79Å; V110-E147 HydrophobicContact CG1-CB 4.4Å; V110-E147 HydrophobicContact CG2-CB 4.22Å; V110-L150 HydrophobicContact CB-CD2 4.38Å; V110-L150 HydrophobicContact CG1-CD2 4.13Å
111	V	85	Confident	79.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-48.2	175.1	172	0	0	0	0	112.2	V74 L76 V87 W103 D107 A108 G109 R113 Q114 L115 L150 V169	V74-V111 HydrophobicContact CG1-CG1 3.74Å; V74-V111 HydrophobicContact CG1-CG2 4.4Å; L76-V111 HydrophobicContact CD2-CG1 4.17Å; V87-V111 HydrophobicContact CG1-CG1 4.47Å; V87-V111 HydrophobicContact CG1-CG2 4.12Å; V87-V111 HydrophobicContact CG2-CG1 4.29Å; W103-V111 HydrophobicContact CH2-CG2 3.6Å; W103-V111 HydrophobicContact CZ2-CG2 3.87Å; D107-V111 PolarHBondContact O-N 2.97Å; D107-V111 VanDerWaalsContact O-N 3.12Å; A108-V111 PolarHBondContact O-N 2.8Å; G109-V111 VanDerWaalsContact C-N 3.34Å; G109-V111 PolarHBondContact O-N 2.76Å; V111-R113 VanDerWaalsContact C-N 3.27Å; V111-R113 PolarHBondContact O-N 3Å; V111-Q114 PolarHBondContact O-N 3.09Å; V111-L115 HydrophobicContact CG1-CD1 3.68Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 WeakPolarHBondContact O-CB 3.25Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 3.44Å; V111-L150 HydrophobicContact CG2-CD1 3.45Å; V111-L150 VanDerWaalsContact CG2-CD1 3.45Å; V111-L150 HydrophobicContact CG2-CD2 3.82Å; V111-L150 HydrophobicContact CG2-CG 3.71Å; V111-V169 HydrophobicContact CG1-CG1 3.9Å
112	C	82.4	Confident	79.7	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-37.2	-179.3	-67.8	0	0	0	0	111.8	A108 G109 G116 E117 G118 G121 V169 C171	A108-C112 PolarHBondContact O-N 3.21Å; A108-C112 PolarHBondContact O-SG 2.91Å; G109-C112 PolarHBondContact O-N 3.39Å; C112-G116 PolarHBondContact O-N 3.2Å; C112-E117 PolarHBondContact O-N 3.16Å; C112-G118 CarbonylContact C-O 3.53Å; C112-G118 PolarHBondContact O-N 3.38Å; C112-G121 VanDerWaalsContact SG-CA 3.6Å; C112-V169 WeakPolarHBondContact SG-CG2 3.17Å; C112-C171 VanDerWaalsContact CA-SG 3.52Å; C112-C171 HydrophobicContact CB-CB 3.8Å; C112-C171 WeakPolarHBondContact CB-SG 3.45Å; C112-C171 WeakPolarHBondContact SG-CA 3.27Å; C112-C171 WeakPolarHBondContact SG-CB 3.37Å; C112-C171 CovalentContact SG-SG 2.03Å; C112-C171 PolarHBondContact SG-SG 3.39Å
113	R	80.3	Confident	80.2	Confident	81 Å²	81	43.2 Å²	43.2	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-69	-45	174.9	-167	-174.9	-58.7	129.2	0.7	111.7	G109 V110 V111 L115 G116 G118 G145 E147	G109-R113 WeakPolarHBondContact O-CB 3.43Å; G109-R113 PolarHBondContact O-N 3.35Å; V110-R113 PolarHBondContact O-N 2.85Å; V111-R113 VanDerWaalsContact C-N 3.27Å; V111-R113 PolarHBondContact O-N 3Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 3.2Å; R113-G116 PolarHBondContact O-N 2.92Å; R113-G118 WeakPolarHBondContact CA-O 3.33Å; R113-G118 PolarHBondContact N-O 3.44Å; R113-G118 VanDerWaalsContact N-O 3.12Å; R113-G145 PolarHBondContact NH1-O 3.13Å; R113-G145 PolarHBondContact NH2-O 2.83Å; R113-E147 PolarHBondContact NH1-O 2.8Å
114	Q	81.3	Confident	80	Confident	52 Å²	52	48.2 Å²	48.2	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-34.3	179.2	-173.3	-176.9	-9.3	0	0	112.3	G72 V110 V111 G116 D149	G72-Q114 PolarHBondContact O-NE2 2.71Å; V110-Q114 WeakPolarHBondContact O-CB 3.3Å; V110-Q114 PolarHBondContact O-N 2.99Å; V111-Q114 PolarHBondContact O-N 3.09Å; Q114-G116 VanDerWaalsContact C-N 3.3Å; Q114-D149 HydrophobicContact CG-CB 3.83Å
115	L	74.8	Confident	79.9	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-77.9	-13.9	174.9	-70.4	171.1	0	0	0	113.4	V74 L76 V111 R113 E117	V74-L115 HydrophobicContact CB-CD2 4.29Å; V74-L115 HydrophobicContact CG1-CD1 4.47Å; V74-L115 WeakPolarHBondContact O-CD2 3.36Å; L76-L115 HydrophobicContact CD1-CD1 3.96Å; L76-L115 HydrophobicContact CD2-CD1 3.91Å; L76-L115 HydrophobicContact CG-CD1 3.62Å; V111-L115 HydrophobicContact CG1-CD1 3.68Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 WeakPolarHBondContact O-CB 3.25Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 3.44Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 3.2Å; L115-E117 VanDerWaalsContact C-N 3.25Å; L115-E117 HydrophobicContact CB-CB 4.12Å; L115-E117 HydrophobicContact CB-CG 3.83Å
116	G	72	Confident	79.6	Confident	65 Å²	65	43.3 Å²	43.3	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	18.1	-171.5	0	0	0	0	0	113.7	C112 R113 Q114	C112-G116 PolarHBondContact O-N 3.2Å; R113-G116 PolarHBondContact O-N 2.92Å; Q114-G116 VanDerWaalsContact C-N 3.3Å
117	E	67.2	Low	79.2	Confident	68 Å²	68	43.1 Å²	43.1	32%	0.318	26%	0.255	S	S	.	.	S	Bend	trans	-108.3	4.1	-169.4	-65.4	-69.2	-178.2	0	0	112.8	L83 C112 L115	L83-E117 HydrophobicContact CD2-CB 3.69Å; L83-E117 HydrophobicContact CD2-CG 4.27Å; L83-E117 WeakPolarHBondContact CD2-O 3.22Å; L83-E117 WeakPolarHBondContact CD2-OE2 3.32Å; C112-E117 PolarHBondContact O-N 3.16Å; L115-E117 VanDerWaalsContact C-N 3.25Å; L115-E117 HydrophobicContact CB-CB 4.12Å; L115-E117 HydrophobicContact CB-CG 3.83Å
118	G	64.3	Low	78.3	Confident	17 Å²	17	45 Å²	45	18%	0.175	27%	0.267	C	S	.	.			trans	165	165.3	172.7	0	0	0	0	0	114.1	C112 R113	C112-G118 CarbonylContact C-O 3.53Å; C112-G118 PolarHBondContact O-N 3.38Å; R113-G118 WeakPolarHBondContact CA-O 3.33Å; R113-G118 PolarHBondContact N-O 3.44Å; R113-G118 VanDerWaalsContact N-O 3.12Å
119	V	63.6	Low	76.8	Confident	110 Å²	110	54.1 Å²	54.1	67%	0.667	31%	0.307	S	S	*	.	S	Bend	trans	-92.8	-22.6	177.3	-167.9	0	0	0	0	111.9
120	S	72.8	Confident	75.4	Confident	36 Å²	36	65.7 Å²	65.7	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.5	178.9	49.6	0	0	0	0	109.3	T172	S120-T172 WeakPolarHBondContact CB-OG1 3.32Å; S120-T172 PolarHBondContact O-N 3.37Å; S120-T172 PolarHBondContact O-OG1 3.21Å; S120-T172 VanDerWaalsContact O-OG1 3.08Å; S120-T172 PolarHBondContact OG-O 3.4Å; S120-T172 PolarHBondContact OG-OG1 3.5Å
121	G	81.3	Confident	73.5	Confident	4 Å²	4	76 Å²	76	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.4	178.3	0	0	0	0	0	110.1	A108 C112	A108-G121 VanDerWaalsContact CB-O 3.31Å; A108-G121 WeakPolarHBondContact CB-O 3.3Å; C112-G121 VanDerWaalsContact SG-CA 3.6Å
122	L	85.4	Confident	71.7	Confident	84 Å²	84	82.6 Å²	82.6	44%	0.44	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.9	171.9	-172.8	76	0	0	0	108.7	V169 T170	L122-V169 WeakPolarHBondContact O-CA 3.21Å; L122-T170 PolarHBondContact N-O 2.83Å; L122-T170 PolarHBondContact O-N 2.68Å
123	A	86.6	Confident	70.2	Confident	22 Å²	22	91 Å²	91	18%	0.182	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.6	174.5	0	0	0	0	0	110.9	W103 K104 D105 A108	W103-A123 VanDerWaalsContact CD1-CB 3.43Å; W103-A123 HydrophobicContact CG-CB 4.3Å; W103-A123 WeakPolarHBondContact O-CB 3.27Å; K104-A123 WeakPolarHBondContact O-CB 3.07Å; D105-A123 WeakPolarHBondContact OD1-CB 3.19Å; D105-A123 PolarHBondContact OD1-N 3.36Å; A108-A123 HydrophobicContact CB-CB 4.03Å
124	R	85.1	Confident	69.1	Low	126 Å²	126	90 Å²	90	48%	0.475	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.7	177.1	-66.5	-175.7	63.2	165.1	0.9	109.8	A168 T170	R124-A168 HydrophobicContact CB-CB 4.02Å; R124-A168 PolarHBondContact N-O 2.64Å; R124-A168 CarbonylContact O-C 3.46Å; R124-A168 WeakPolarHBondContact O-CA 3.42Å; R124-A168 PolarHBondContact O-N 3.19Å; R124-T170 VanDerWaalsContact CD-OG1 3.25Å; R124-T170 WeakPolarHBondContact CD-OG1 3.43Å
125	A	82.9	Confident	68.5	Low	50 Å²	50	95.1 Å²	95.1	41%	0.413	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.4	174.7	0	0	0	0	0	108.5	L165 A166	A125-L165 HydrophobicContact CB-CB 4.05Å; A125-L165 HydrophobicContact CB-CD1 3.98Å; A125-L165 HydrophobicContact CB-CG 4.47Å; A125-A166 WeakPolarHBondContact CA-O 3.49Å
126	V	81.1	Confident	68.6	Low	40 Å²	40	93.6 Å²	93.6	24%	0.242	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141	178.6	-66.5	0	0	0	0	110.5	R86 V128 L165 A166 A168	R86-V126 HydrophobicContact CB-CG2 4.11Å; R86-V126 HydrophobicContact CG-CG2 4.08Å; V126-V128 PolarHBondContact O-N 2.83Å; V126-L165 CarbonylContact O-C 3.55Å; V126-L165 WeakPolarHBondContact O-CA 3.22Å; V126-A166 HydrophobicContact CG2-CB 4.26Å; V126-A166 PolarHBondContact N-O 2.67Å; V126-A166 PolarHBondContact O-N 2.89Å; V126-A168 HydrophobicContact CB-CB 4.49Å; V126-A168 HydrophobicContact CG1-CB 3.79Å; V126-A168 HydrophobicContact CG2-CB 4.02Å
127	P	76.1	Confident	69	Low	92 Å²	92	92.1 Å²	92.1	60%	0.597	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	132	177.5	-21.3	31.4	0	0	0	111	F129	P127-F129 PolarHBondContact O-N 3.29Å
128	V	68.1	Low	69.8	Low	42 Å²	42	89.3 Å²	89.3	26%	0.255	45%	0.449	S	S	.	.			trans	-70.6	103.8	170.4	-174.7	0	0	0	0	106.9	V126 R130 A134 S164 A166	V126-V128 PolarHBondContact O-N 2.83Å; V128-R130 PolarHBondContact O-N 2.88Å; V128-A134 HydrophobicContact CG1-CB 3.58Å; V128-S164 PolarHBondContact N-O 2.96Å; V128-A166 HydrophobicContact CG2-CB 3.9Å
129	F	55.3	Low	70.5	Confident	191 Å²	191	89.6 Å²	89.6	84%	0.838	45%	0.447	S	S	*	.			trans	-56.8	113.2	176.4	-96.7	-86.1	0	0	0	108.7	P127 R131	P127-F129 PolarHBondContact O-N 3.29Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 2.97Å
130	R	52.3	Low	71.2	Confident	249 Å²	249	84.9 Å²	84.9	94%	0.94	42%	0.419	S	S	*	.			trans	-58.1	90.1	-178.7	-73.5	-177	173.2	175.8	-2.9	110.9	V128	V128-R130 PolarHBondContact O-N 2.88Å
131	R	46.3	Very low	71.8	Confident	217 Å²	217	83.2 Å²	83.2	82%	0.819	41%	0.408	S	S	*	.	S	Bend	trans	-138.4	150.5	155.7	-73.9	-165.3	179.9	-167.2	1.2	108.1	F129 Q133	F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 2.97Å; R131-Q133 PolarHBondContact O-N 3.24Å
132	P	46.8	Very low	72	Confident	138 Å²	138	86.8 Å²	86.8	90%	0.896	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	15.8	-154.6	-13.6	29.4	0	0	0	116.2
133	Q	51.1	Low	72	Confident	177 Å²	177	83.4 Å²	83.4	83%	0.827	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	7	-165.9	-74.7	176.5	-12	0	0	114.6	R131 R135	R131-Q133 PolarHBondContact O-N 3.24Å; Q133-R135 VanDerWaalsContact C-N 3.28Å; Q133-R135 PolarHBondContact O-N 2.97Å
134	A	56.8	Low	71.7	Confident	59 Å²	59	90.6 Å²	90.6	49%	0.488	44%	0.436	S	S	.	.			trans	-70.7	88.4	169.6	0	0	0	0	0	109.2	V128	V128-A134 HydrophobicContact CG1-CB 3.58Å
135	R	69.4	Low	71.1	Confident	159 Å²	159	85.1 Å²	85.1	60%	0.6	42%	0.419	S	S	*	.			trans	-71.2	127.6	174.4	-76.5	-176	174.8	176.1	-1.5	109.2	G96 S97 Q133	G96-R135 CarbonylContact C-O 3.57Å; G96-R135 WeakPolarHBondContact CA-O 3.35Å; S97-R135 PolarHBondContact N-O 2.94Å; Q133-R135 VanDerWaalsContact C-N 3.28Å; Q133-R135 PolarHBondContact O-N 2.97Å
136	L	75.4	Confident	70.6	Confident	19 Å²	19	90.5 Å²	90.5	10%	0.099	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.3	176.7	-148.1	76.4	0	0	0	108.9	S97 C99 L139 W158 C163	S97-L136 WeakPolarHBondContact O-CA 3.26Å; C99-L136 HydrophobicContact CB-CD2 3.83Å; L136-L139 HydrophobicContact CD2-CD2 4.43Å; L136-W158 HydrophobicContact CB-CB 4.4Å; L136-W158 HydrophobicContact CB-CD2 3.98Å; L136-W158 HydrophobicContact CB-CE3 4.46Å; L136-W158 HydrophobicContact CB-CG 3.95Å; L136-W158 HydrophobicContact CD2-CG 4.1Å; L136-W158 VanDerWaalsContact O-CE3 3.28Å; L136-C163 HydrophobicContact CD2-CB 3.63Å
137	H	80.8	Confident	70.6	Confident	35 Å²	35	89.8 Å²	89.8	16%	0.162	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-42.8	178.2	-78.9	-42.2	0	0	0	111.9	V89 L91 V94 G96 S97 W158	V89-H137 PolarHBondContact O-CD2 3.18Å; V89-H137 PolarHBondContact O-NE2 3.43Å; L91-H137 HydrophobicContact CD1-CB 3.81Å; V94-H137 PolarHBondContact O-NE2 2.85Å; G96-H137 WeakPolarHBondContact CA-CD2 3.26Å; G96-H137 WeakPolarHBondContact CA-NE2 3.17Å; G96-H137 PolarHBondContact N-CD2 2.89Å; G96-H137 VanDerWaalsContact N-CD2 3.3Å; G96-H137 PolarHBondContact N-NE2 3.07Å; G96-H137 VanDerWaalsContact N-NE2 3.19Å; S97-H137 PolarHBondContact O-N 3Å; H137-W158 PolarHBondContact O-N 3.07Å; H137-W158 VanDerWaalsContact O-N 3.11Å
138	W	84.1	Confident	70.4	Confident	8 Å²	8	89.5 Å²	89.5	3%	0.03	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.7	-174.5	-54.7	-38.2	0	0	0	111.9	V89 L91 V98 C99 V141 L150 L151 K155 T156	V89-W138 HydrophobicContact CB-CH2 4.36Å; V89-W138 HydrophobicContact CB-CZ3 4.25Å; V89-W138 HydrophobicContact CG1-CH2 3.67Å; V89-W138 HydrophobicContact CG1-CZ2 4.3Å; V89-W138 HydrophobicContact CG1-CZ3 3.99Å; V89-W138 HydrophobicContact CG2-CE3 4.23Å; V89-W138 HydrophobicContact CG2-CH2 4.29Å; V89-W138 HydrophobicContact CG2-CZ3 3.73Å; L91-W138 VanDerWaalsContact CD1-CE2 3.49Å; L91-W138 HydrophobicContact CD1-CH2 4.41Å; L91-W138 HydrophobicContact CD1-CZ2 3.43Å; L91-W138 VanDerWaalsContact CD1-CZ2 3.43Å; L91-W138 HydrophobicContact CD2-CZ2 4.1Å; L91-W138 HydrophobicContact CG-CZ2 4.25Å; V98-W138 HydrophobicContact CG1-CB 4.37Å; V98-W138 HydrophobicContact CG2-CE3 3.75Å; V98-W138 HydrophobicContact CG2-CZ3 4.38Å; C99-W138 WeakPolarHBondContact CB-O 3.44Å; C99-W138 PolarHBondContact N-O 3.15Å; W138-V141 HydrophobicContact CB-CG2 4.19Å; W138-V141 HydrophobicContact CD2-CG2 4.4Å; W138-V141 HydrophobicContact CE3-CG2 3.73Å; W138-V141 HydrophobicContact CZ3-CG2 4.47Å; W138-L150 HydrophobicContact CH2-CB 4.22Å; W138-L150 HydrophobicContact CZ3-CB 3.85Å; W138-L150 HydrophobicContact CZ3-CD1 4.13Å; W138-L151 HydrophobicContact CH2-CD2 3.95Å; W138-L151 HydrophobicContact CZ2-CD2 3.88Å; W138-K155 HydrophobicContact CD2-CD 3.68Å; W138-K155 HydrophobicContact CE3-CD 4.14Å; W138-K155 HydrophobicContact CG-CD 4.1Å; W138-K155 HydrophobicContact CH2-CD 4.03Å; W138-K155 HydrophobicContact CZ2-CD 3.57Å; W138-K155 HydrophobicContact CZ3-CD 4.3Å; W138-T156 CarbonylContact C-O 3.54Å; W138-T156 VanDerWaalsContact CA-O 3.3Å; W138-T156 WeakPolarHBondContact CA-O 3.4Å
139	L	78.6	Confident	71	Confident	24 Å²	24	89 Å²	89	13%	0.126	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-35.2	-178.9	-87.8	164.3	0	0	0	113.3	C99 L136 T156 W158 E161	C99-L139 WeakPolarHBondContact CB-O 3.25Å; L136-L139 HydrophobicContact CD2-CD2 4.43Å; L139-T156 WeakPolarHBondContact CB-OG1 3.42Å; L139-T156 PolarHBondContact N-O 3.16Å; L139-W158 HydrophobicContact CG-CB 4.25Å; L139-W158 HydrophobicContact CG-CG 4.44Å; L139-E161 HydrophobicContact CD1-CB 4.35Å; L139-E161 WeakPolarHBondContact CD1-OE2 3.31Å; L139-E161 HydrophobicContact CD2-CB 4.31Å
140	A	79.3	Confident	72.2	Confident	10 Å²	10	80 Å²	80	8%	0.083	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.7	173.7	0	0	0	0	0	108.6	K155 T156	A140-K155 CarbonylContact O-C 3.48Å; A140-K155 WeakPolarHBondContact O-CA 3.5Å; A140-K155 WeakPolarHBondContact O-CB 3.09Å; A140-T156 PolarHBondContact N-OG1 2.99Å; A140-T156 PolarHBondContact O-N 3.3Å
141	V	85.1	Confident	73.6	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.9	172.7	-177.5	0	0	0	0	106.7	V98 W103 W138 L150 C153 K155	V98-V141 HydrophobicContact CG1-CG2 3.69Å; W103-V141 HydrophobicContact CE3-CB 4.45Å; W103-V141 HydrophobicContact CZ3-CB 4.1Å; W103-V141 HydrophobicContact CZ3-CG2 4.42Å; W138-V141 HydrophobicContact CB-CG2 4.19Å; W138-V141 HydrophobicContact CD2-CG2 4.4Å; W138-V141 HydrophobicContact CE3-CG2 3.73Å; W138-V141 HydrophobicContact CZ3-CG2 4.47Å; V141-L150 HydrophobicContact CG1-CD2 4.12Å; V141-C153 HydrophobicContact CG1-CB 3.66Å; V141-K155 HydrophobicContact CG2-CB 4.15Å
142	H	86.3	Confident	75.2	Confident	79 Å²	79	65.8 Å²	65.8	37%	0.366	34%	0.339	S	S	.	.			trans	-136.1	84.8	-176.6	-65.4	86.4	0	0	0	109.8	D107 P154	D107-H142 WeakPolarHBondContact OD1-CA 2.97Å; D107-H142 PolarHBondContact OD1-N 2.94Å; H142-P154 HydrophobicContact CB-CB 4.46Å; H142-P154 PolarHBondContact N-O 3.23Å; H142-P154 WeakPolarHBondContact O-CD 3.28Å
143	C	84.8	Confident	76.9	Confident	14 Å²	14	59.3 Å²	59.3	10%	0.095	30%	0.297	C	S	.	.			trans	-82.9	151.3	174	-56.7	0	0	0	0	110.9	D107 V110 C153	D107-C143 WeakPolarHBondContact OD1-CB 3.38Å; D107-C143 PolarHBondContact OD1-N 3.02Å; D107-C143 PolarHBondContact OD1-SG 3.06Å; D107-C143 VanDerWaalsContact OD1-SG 3.42Å; V110-C143 HydrophobicContact CG2-CB 3.79Å; C143-C153 HydrophobicContact CB-CB 4Å; C143-C153 WeakPolarHBondContact CB-SG 3.5Å; C143-C153 WeakPolarHBondContact SG-CB 3.13Å; C143-C153 CovalentContact SG-SG 2.03Å; C143-C153 PolarHBondContact SG-SG 2.83Å
144	Q	80.9	Confident	78.5	Confident	173 Å²	173	54.8 Å²	54.8	81%	0.808	28%	0.283	S	S	*	.			trans	-86.2	-12.8	167.5	-61.9	-164.7	-24.7	0	0	112.4	E147	Q144-E147 WeakPolarHBondContact CB-OE1 3.08Å; Q144-E147 VanDerWaalsContact N-CD 3.3Å; Q144-E147 PolarHBondContact N-OE1 2.92Å; Q144-E147 PolarHBondContact N-OE2 3.09Å; Q144-E147 VanDerWaalsContact N-OE2 3.08Å
145	G	71	Confident	79.9	Confident	10 Å²	10	55.3 Å²	55.3	10%	0.103	27%	0.274	C	S	.	.	S	Bend	trans	100.5	-7.1	174.7	0	0	0	0	0	114.1	R113 E147	R113-G145 PolarHBondContact NH1-O 3.13Å; R113-G145 PolarHBondContact NH2-O 2.83Å; G145-E147 PolarHBondContact N-OE2 3.14Å
146	E	73.2	Confident	80.6	Confident	163 Å²	163	51.1 Å²	51.1	76%	0.762	27%	0.266	S	S	*	.			trans	-107	-1.9	178.7	-67.4	-58.2	145.3	0	0	112.9
147	E	81.1	Confident	80.8	Confident	26 Å²	26	54.4 Å²	54.4	12%	0.121	29%	0.287	C	S	.	.			trans	-65	146.4	-179.7	-64.4	88.5	161.4	0	0	111.8	V110 R113 Q144 G145 H152	V110-E147 HydrophobicContact CG1-CB 4.4Å; V110-E147 HydrophobicContact CG2-CB 4.22Å; R113-E147 PolarHBondContact NH1-O 2.8Å; Q144-E147 WeakPolarHBondContact CB-OE1 3.08Å; Q144-E147 VanDerWaalsContact N-CD 3.3Å; Q144-E147 PolarHBondContact N-OE1 2.92Å; Q144-E147 PolarHBondContact N-OE2 3.09Å; Q144-E147 VanDerWaalsContact N-OE2 3.08Å; G145-E147 PolarHBondContact N-OE2 3.14Å; E147-H152 HydrophobicContact CB-CB 4.29Å; E147-H152 HydrophobicContact CG-CB 4.46Å
148	P	71.1	Confident	80.5	Confident	85 Å²	85	57.8 Å²	57.8	55%	0.552	30%	0.298	S	S	*	.	S	Bend	trans	-72.5	-28.1	-178.1	28.3	-35.1	0	0	0	113	H152	P148-H152 HydrophobicContact CG-CB 4.3Å
149	D	81.2	Confident	80	Confident	33 Å²	33	66 Å²	66	18%	0.176	33%	0.334	C	S	.	.	S	Bend	trans	-160.1	167.3	177.9	61.9	55.1	0	0	0	111.5	Q114 L151 H152	Q114-D149 HydrophobicContact CG-CB 3.83Å; D149-L151 PolarHBondContact O-N 2.9Å; D149-L151 WeakPolarHBondContact OD1-CA 3.08Å; D149-L151 WeakPolarHBondContact OD1-CB 3.39Å; D149-L151 PolarHBondContact OD1-N 2.79Å; D149-H152 PolarHBondContact O-N 3.42Å; D149-H152 VanDerWaalsContact O-N 3.11Å; D149-H152 IonicContact OD1-CE1 3.78Å; D149-H152 IonicContact OD1-CG 3.07Å; D149-H152 PolarHBondContact OD1-N 2.73Å; D149-H152 IonicContact OD1-ND1 3.63Å; D149-H152 PolarHBondContact OD1-ND1 2.86Å; D149-H152 IonicContact OD2-CE1 2.75Å; D149-H152 PolarHBondContact OD2-CE1 3.26Å; D149-H152 IonicContact OD2-ND1 2.64Å; D149-H152 PolarHBondContact OD2-ND1 2.89Å
150	L	81.3	Confident	79.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.6	179.6	-73.3	-173.6	0	0	0	114.7	V74 V87 V89 W103 V110 V111 W138 V141 H152 C153	V74-L150 HydrophobicContact CG2-CD1 3.9Å; V74-L150 HydrophobicContact CG2-CG 4.32Å; V87-L150 HydrophobicContact CG1-CD1 4.31Å; V89-L150 HydrophobicContact CG2-CD1 4.05Å; W103-L150 HydrophobicContact CH2-CD1 4.24Å; W103-L150 HydrophobicContact CH2-CD2 4.16Å; W103-L150 HydrophobicContact CZ3-CD2 4.45Å; V110-L150 HydrophobicContact CB-CD2 4.38Å; V110-L150 HydrophobicContact CG1-CD2 4.13Å; V111-L150 HydrophobicContact CG2-CD1 3.45Å; V111-L150 VanDerWaalsContact CG2-CD1 3.45Å; V111-L150 HydrophobicContact CG2-CD2 3.82Å; V111-L150 HydrophobicContact CG2-CG 3.71Å; W138-L150 HydrophobicContact CH2-CB 4.22Å; W138-L150 HydrophobicContact CZ3-CB 3.85Å; W138-L150 HydrophobicContact CZ3-CD1 4.13Å; V141-L150 HydrophobicContact CG1-CD2 4.12Å; L150-H152 PolarHBondContact O-N 3.36Å; L150-C153 PolarHBondContact O-N 2.03Å
151	L	80.9	Confident	78.7	Confident	59 Å²	59	72.8 Å²	72.8	31%	0.309	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.5	175.1	-65.2	176.5	0	0	0	111.7	L91 W138 D149 C153 K155	L91-L151 HydrophobicContact CD2-CD2 3.82Å; W138-L151 HydrophobicContact CH2-CD2 3.95Å; W138-L151 HydrophobicContact CZ2-CD2 3.88Å; D149-L151 PolarHBondContact O-N 2.9Å; D149-L151 WeakPolarHBondContact OD1-CA 3.08Å; D149-L151 WeakPolarHBondContact OD1-CB 3.39Å; D149-L151 PolarHBondContact OD1-N 2.79Å; L151-C153 VanDerWaalsContact C-N 3.34Å; L151-K155 PolarHBondContact O-NZ 3.39Å
152	H	80.3	Confident	77.7	Confident	110 Å²	110	82.3 Å²	82.3	51%	0.509	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12	-179.8	-66.2	78.4	0	0	0	112.7	E147 P148 D149 L150	E147-H152 HydrophobicContact CB-CB 4.29Å; E147-H152 HydrophobicContact CG-CB 4.46Å; P148-H152 HydrophobicContact CG-CB 4.3Å; D149-H152 PolarHBondContact O-N 3.42Å; D149-H152 VanDerWaalsContact O-N 3.11Å; D149-H152 IonicContact OD1-CE1 3.78Å; D149-H152 IonicContact OD1-CG 3.07Å; D149-H152 PolarHBondContact OD1-N 2.73Å; D149-H152 IonicContact OD1-ND1 3.63Å; D149-H152 PolarHBondContact OD1-ND1 2.86Å; D149-H152 IonicContact OD2-CE1 2.75Å; D149-H152 PolarHBondContact OD2-CE1 3.26Å; D149-H152 IonicContact OD2-ND1 2.64Å; D149-H152 PolarHBondContact OD2-ND1 2.89Å; L150-H152 PolarHBondContact O-N 3.36Å
153	C	81.8	Confident	76.8	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.014	41%	0.411	C	S	.	.	S	Bend	trans	-76.8	140.7	174	-55.4	0	0	0	0	112	V141 C143 L150 L151 K155	V141-C153 HydrophobicContact CG1-CB 3.66Å; C143-C153 HydrophobicContact CB-CB 4Å; C143-C153 WeakPolarHBondContact CB-SG 3.5Å; C143-C153 WeakPolarHBondContact SG-CB 3.13Å; C143-C153 CovalentContact SG-SG 2.03Å; C143-C153 PolarHBondContact SG-SG 2.83Å; L150-C153 PolarHBondContact O-N 2.03Å; L151-C153 VanDerWaalsContact C-N 3.34Å; C153-K155 PolarHBondContact O-N 3.19Å; C153-K155 PolarHBondContact O-NZ 3.05Å
154	P	85.8	Confident	76.2	Confident	81 Å²	81	83 Å²	83	53%	0.526	44%	0.436	S	S	.	.			trans	-49.3	132.2	163	-26.6	30.7	0	0	0	111.9	H142	H142-P154 HydrophobicContact CB-CB 4.46Å; H142-P154 PolarHBondContact N-O 3.23Å; H142-P154 WeakPolarHBondContact O-CD 3.28Å
155	K	86	Confident	76.2	Confident	71 Å²	71	77.7 Å²	77.7	31%	0.309	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	153.2	-174.5	60.1	-172	163.4	-66.2	0	114	W138 A140 V141 L151 C153	W138-K155 HydrophobicContact CD2-CD 3.68Å; W138-K155 HydrophobicContact CE3-CD 4.14Å; W138-K155 HydrophobicContact CG-CD 4.1Å; W138-K155 HydrophobicContact CH2-CD 4.03Å; W138-K155 HydrophobicContact CZ2-CD 3.57Å; W138-K155 HydrophobicContact CZ3-CD 4.3Å; A140-K155 CarbonylContact O-C 3.48Å; A140-K155 WeakPolarHBondContact O-CA 3.5Å; A140-K155 WeakPolarHBondContact O-CB 3.09Å; V141-K155 HydrophobicContact CG2-CB 4.15Å; L151-K155 PolarHBondContact O-NZ 3.39Å; C153-K155 PolarHBondContact O-N 3.19Å; C153-K155 PolarHBondContact O-NZ 3.05Å
156	T	83.2	Confident	76.8	Confident	71 Å²	71	77.3 Å²	77.3	44%	0.436	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.3	174.6	53.3	0	0	0	0	110.7	W138 L139 A140	W138-T156 CarbonylContact C-O 3.54Å; W138-T156 VanDerWaalsContact CA-O 3.3Å; W138-T156 WeakPolarHBondContact CA-O 3.4Å; L139-T156 WeakPolarHBondContact CB-OG1 3.42Å; L139-T156 PolarHBondContact N-O 3.16Å; A140-T156 PolarHBondContact N-OG1 2.99Å; A140-T156 PolarHBondContact O-N 3.3Å
157	T	79.8	Confident	77.6	Confident	87 Å²	87	69.5 Å²	69.5	53%	0.534	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.5	179.6	46.6	0	0	0	0	111.3	K159	T157-K159 PolarHBondContact O-N 3.48Å
158	W	74.8	Confident	77.9	Confident	106 Å²	106	68.3 Å²	68.3	40%	0.402	37%	0.366	S	S	.	.			trans	-71.9	126.4	179	-178.7	73.4	0	0	0	111.3	L136 H137 L139 G160 E161	L136-W158 HydrophobicContact CB-CB 4.4Å; L136-W158 HydrophobicContact CB-CD2 3.98Å; L136-W158 HydrophobicContact CB-CE3 4.46Å; L136-W158 HydrophobicContact CB-CG 3.95Å; L136-W158 HydrophobicContact CD2-CG 4.1Å; L136-W158 VanDerWaalsContact O-CE3 3.28Å; H137-W158 PolarHBondContact O-N 3.07Å; H137-W158 VanDerWaalsContact O-N 3.11Å; L139-W158 HydrophobicContact CG-CB 4.25Å; L139-W158 HydrophobicContact CG-CG 4.44Å; W158-G160 VanDerWaalsContact CZ2-CA 3.49Å; W158-E161 PolarHBondContact NE1-O 2.99Å
159	K	73.2	Confident	78.8	Confident	180 Å²	180	64.3 Å²	64.3	78%	0.783	34%	0.34	S	S	*	.	S	Bend	trans	-116.9	16.3	180	-67.1	-175	-178.8	176.5	0	114.1	T157	T157-K159 PolarHBondContact O-N 3.48Å
160	G	65.3	Low	79.1	Confident	51 Å²	51	64.5 Å²	64.5	53%	0.526	34%	0.343	S	S	.	.	S	Bend	trans	111.8	10.2	178.8	0	0	0	0	0	116	W158	W158-G160 VanDerWaalsContact CZ2-CA 3.49Å
161	E	66.1	Low	79.2	Confident	126 Å²	126	64.9 Å²	64.9	59%	0.589	35%	0.345	S	S	*	.			trans	-79.8	148.3	179.9	-64.2	176.8	-179.3	0	0	112.3	L139 W158 C163	L139-E161 HydrophobicContact CD1-CB 4.35Å; L139-E161 WeakPolarHBondContact CD1-OE2 3.31Å; L139-E161 HydrophobicContact CD2-CB 4.31Å; W158-E161 PolarHBondContact NE1-O 2.99Å; E161-C163 PolarHBondContact O-N 2.88Å
162	E	63.4	Low	78.7	Confident	201 Å²	201	65.1 Å²	65.1	94%	0.939	35%	0.349	S	S	*	.			trans	-75.8	123	-179	-71.9	-163	164.3	0	0	112.1
163	C	68.7	Low	77.6	Confident	21 Å²	21	66.4 Å²	66.4	14%	0.142	36%	0.356	C	S	.	.			trans	-117.6	115.1	170.1	-178.6	0	0	0	0	109.3	C99 L136 E161 L165	C99-C163 WeakPolarHBondContact CA-SG 3.48Å; C99-C163 HydrophobicContact CB-CB 4.01Å; C99-C163 WeakPolarHBondContact CB-SG 3.27Å; C99-C163 WeakPolarHBondContact SG-CB 3.18Å; C99-C163 CovalentContact SG-SG 2.03Å; C99-C163 PolarHBondContact SG-SG 2.82Å; L136-C163 HydrophobicContact CD2-CB 3.63Å; E161-C163 PolarHBondContact O-N 2.88Å; C163-L165 PolarHBondContact SG-O 3.03Å
164	S	70.7	Confident	75.8	Confident	88 Å²	88	73.5 Å²	73.5	62%	0.615	39%	0.389	S	S	*	.	S	Bend	trans	-81.6	-19.7	-175.3	55.1	0	0	0	0	113.5	V128	V128-S164 PolarHBondContact N-O 2.96Å
165	L	80.6	Confident	73.7	Confident	61 Å²	61	81.4 Å²	81.4	32%	0.319	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.2	-176	-59.9	173.4	0	0	0	111	G100 A125 V126 C163	G100-L165 PolarHBondContact N-O 3.45Å; A125-L165 HydrophobicContact CB-CB 4.05Å; A125-L165 HydrophobicContact CB-CD1 3.98Å; A125-L165 HydrophobicContact CB-CG 4.47Å; V126-L165 CarbonylContact O-C 3.55Å; V126-L165 WeakPolarHBondContact O-CA 3.22Å; C163-L165 PolarHBondContact SG-O 3.03Å
166	A	85.3	Confident	71	Confident	1 Å²	1	81.1 Å²	81.1	1%	0.008	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.4	170.6	0	0	0	0	0	111	R86 A125 V126 V128 A168	R86-A166 HydrophobicContact CG-CB 3.79Å; A125-A166 WeakPolarHBondContact CA-O 3.49Å; V126-A166 HydrophobicContact CG2-CB 4.26Å; V126-A166 PolarHBondContact N-O 2.67Å; V126-A166 PolarHBondContact O-N 2.89Å; V128-A166 HydrophobicContact CG2-CB 3.9Å; A166-A168 PolarHBondContact O-N 3.45Å
167	A	89.2	Confident	68.4	Low	0 Å²	0	89 Å²	89	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.4	171.3	0	0	0	0	0	110.3	R86 V87 V98 W103	R86-A167 WeakPolarHBondContact CG-O 3.36Å; V87-A167 HydrophobicContact CB-CB 4.49Å; V87-A167 PolarHBondContact N-O 3.47Å; V98-A167 HydrophobicContact CB-CB 3.99Å; V98-A167 HydrophobicContact CG1-CB 4.24Å; V98-A167 WeakPolarHBondContact O-CB 3.25Å; V98-A167 PolarHBondContact O-N 3.45Å; W103-A167 HydrophobicContact CB-CB 4.3Å; W103-A167 HydrophobicContact CD2-CB 3.53Å; W103-A167 HydrophobicContact CE3-CB 3.9Å; W103-A167 HydrophobicContact CG-CB 3.7Å; W103-A167 HydrophobicContact CZ2-CB 4.4Å; W103-A167 HydrophobicContact CZ3-CB 4.45Å
168	A	88.4	Confident	66.1	Low	1 Å²	1	89.8 Å²	89.8	1%	0.008	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.1	172.7	0	0	0	0	0	108.6	G85 W103 R124 V126 A166	G85-A168 VanDerWaalsContact O-CA 3.27Å; G85-A168 WeakPolarHBondContact O-CA 3.47Å; G85-A168 WeakPolarHBondContact O-CB 3.44Å; W103-A168 PolarHBondContact NE1-O 2.57Å; R124-A168 HydrophobicContact CB-CB 4.02Å; R124-A168 PolarHBondContact N-O 2.64Å; R124-A168 CarbonylContact O-C 3.46Å; R124-A168 WeakPolarHBondContact O-CA 3.42Å; R124-A168 PolarHBondContact O-N 3.19Å; V126-A168 HydrophobicContact CB-CB 4.49Å; V126-A168 HydrophobicContact CG1-CB 3.79Å; V126-A168 HydrophobicContact CG2-CB 4.02Å; A166-A168 PolarHBondContact O-N 3.45Å
169	V	90	Very high	64.1	Low	0 Å²	0	88.9 Å²	88.9	0%	0	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143	177.8	60.4	0	0	0	0	109.6	L76 D84 G85 V87 A108 V111 C112 L122	L76-V169 HydrophobicContact CD1-CG1 3.93Å; L76-V169 HydrophobicContact CD2-CG1 3.39Å; L76-V169 HydrophobicContact CG-CG1 4.32Å; D84-V169 WeakPolarHBondContact CA-O 3Å; G85-V169 PolarHBondContact N-O 2.91Å; G85-V169 PolarHBondContact O-N 3.31Å; V87-V169 HydrophobicContact CG2-CB 4.26Å; V87-V169 HydrophobicContact CG2-CG1 3.74Å; A108-V169 HydrophobicContact CB-CB 4.18Å; A108-V169 HydrophobicContact CB-CG2 3.55Å; V111-V169 HydrophobicContact CG1-CG1 3.9Å; C112-V169 WeakPolarHBondContact SG-CG2 3.17Å; L122-V169 WeakPolarHBondContact O-CA 3.21Å
170	T	87	Confident	62.2	Low	38 Å²	38	80.8 Å²	80.8	23%	0.233	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.6	162.4	-53	0	0	0	0	107.5	L83 D84 L122 R124 T172	L83-T170 CarbonylContact O-C 3.6Å; L83-T170 WeakPolarHBondContact O-CA 3.34Å; D84-T170 HydrophobicContact CB-CG2 4.33Å; D84-T170 PolarHBondContact OD1-OG1 3.01Å; L122-T170 PolarHBondContact N-O 2.83Å; L122-T170 PolarHBondContact O-N 2.68Å; R124-T170 VanDerWaalsContact CD-OG1 3.25Å; R124-T170 WeakPolarHBondContact CD-OG1 3.43Å; T170-T172 PolarHBondContact O-N 3.07Å
171	C	83.2	Confident	60.9	Low	7 Å²	7	82.9 Å²	82.9	5%	0.047	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.8	179.1	-61.3	0	0	0	0	110.3	L83 C112 Q173	L83-C171 HydrophobicContact CB-CB 4.29Å; L83-C171 HydrophobicContact CD2-CB 4.49Å; L83-C171 PolarHBondContact O-N 2.93Å; C112-C171 VanDerWaalsContact CA-SG 3.52Å; C112-C171 HydrophobicContact CB-CB 3.8Å; C112-C171 WeakPolarHBondContact CB-SG 3.45Å; C112-C171 WeakPolarHBondContact SG-CA 3.27Å; C112-C171 WeakPolarHBondContact SG-CB 3.37Å; C112-C171 CovalentContact SG-SG 2.03Å; C112-C171 PolarHBondContact SG-SG 3.39Å; C171-Q173 PolarHBondContact O-N 2.97Å
172	T	69.5	Low	60.1	Low	64 Å²	64	80.6 Å²	80.6	39%	0.393	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	101.9	177.1	42.9	0	0	0	0	108.8	S120 T170 Q174	S120-T172 WeakPolarHBondContact CB-OG1 3.32Å; S120-T172 PolarHBondContact O-N 3.37Å; S120-T172 PolarHBondContact O-OG1 3.21Å; S120-T172 VanDerWaalsContact O-OG1 3.08Å; S120-T172 PolarHBondContact OG-O 3.4Å; S120-T172 PolarHBondContact OG-OG1 3.5Å; T170-T172 PolarHBondContact O-N 3.07Å; T172-Q174 PolarHBondContact O-N 3.04Å
173	Q	57.6	Low	60	Low	138 Å²	138	71.5 Å²	71.5	65%	0.645	39%	0.393	S	S	*	.			trans	-73.3	107	167.9	-149.7	169.1	31.5	0	0	107.1	C171 R175	C171-Q173 PolarHBondContact O-N 2.97Å; Q173-R175 PolarHBondContact O-N 2.73Å; Q173-R175 VanDerWaalsContact O-N 3.12Å
174	Q	45	Very low	60.3	Low	151 Å²	151	73.5 Å²	73.5	71%	0.706	41%	0.406	S	S	*	.			trans	-47.9	119.1	-177.9	-82.8	-84.3	-19.8	0	0	111	T172	T172-Q174 PolarHBondContact O-N 3.04Å
175	R	40.7	Very low	61	Low	246 Å²	246	70.3 Å²	70.3	93%	0.928	38%	0.382	S	S	*	.			trans	-111.2	97.4	168.9	-85.9	-171.4	172.8	-169.7	-1.7	108.8	Q173	Q173-R175 PolarHBondContact O-N 2.73Å; Q173-R175 VanDerWaalsContact O-N 3.12Å
176	G	30.1	Very low	61.2	Low	65 Å²	65	71.5 Å²	71.5	67%	0.67	38%	0.382	S	S	*	.	S	Bend	trans	-142.2	86.5	170.8	0	0	0	0	0	110.7
177	R	27.5	Very low	61.2	Low	238 Å²	238	72 Å²	72	90%	0.898	38%	0.384	S	S	*	.	S	Bend	trans	66	127.8	-171.5	-68.5	-177.7	174.5	-175.9	-1.6	113.7	A179	R177-A179 PolarHBondContact O-N 3.22Å
178	P	31.8	Very low	60.7	Low	103 Å²	103	73.8 Å²	73.8	67%	0.669	40%	0.395	S	S	*	.			trans	-60.4	112.7	-140.4	27.1	-32.9	0	0	0	109.5	S180	P178-S180 PolarHBondContact O-N 3.24Å
179	A	33.3	Very low	59.4	Low	86 Å²	86	75.7 Å²	75.7	71%	0.711	42%	0.415	S	S	*	.			trans	-55.6	97.7	137.7	0	0	0	0	0	103.2	R177 C181	R177-A179 PolarHBondContact O-N 3.22Å; A179-C181 PolarHBondContact O-N 3.18Å
180	S	33.4	Very low	58.3	Low	11 Å²	11	83.9 Å²	83.9	8%	0.077	45%	0.446	C	S	.	.			trans	-28.5	131.7	158.2	139.9	0	0	0	0	107	P178 V182 T260 E262	P178-S180 PolarHBondContact O-N 3.24Å; S180-V182 VanDerWaalsContact O-CG2 3.29Å; S180-V182 WeakPolarHBondContact O-CG2 3.08Å; S180-V182 PolarHBondContact O-N 3.11Å; S180-T260 WeakPolarHBondContact CB-OG1 2.85Å; S180-T260 WeakPolarHBondContact OG-CB 3.45Å; S180-T260 PolarHBondContact OG-OG1 2.84Å; S180-E262 WeakPolarHBondContact OG-CB 3.44Å; S180-E262 WeakPolarHBondContact OG-CG 3.47Å; S180-E262 PolarHBondContact OG-OE2 3.22Å
181	C	37.2	Very low	56.7	Low	95 Å²	95	90.7 Å²	90.7	64%	0.642	48%	0.475	S	S	*	.			trans	-55	95.5	161.1	-89.1	0	0	0	0	103.1	A179 S183 E262	A179-C181 PolarHBondContact O-N 3.18Å; C181-S183 PolarHBondContact O-N 2.83Å; C181-E262 WeakPolarHBondContact CA-OE2 3.31Å; C181-E262 WeakPolarHBondContact CB-OE2 3.24Å; C181-E262 PolarHBondContact N-OE2 3.45Å; C181-E262 WeakPolarHBondContact O-CG 3.39Å
182	V	50.2	Low	55.4	Low	78 Å²	78	92.8 Å²	92.8	47%	0.473	49%	0.49	S	S	.	.			trans	-68.6	94.2	-168.8	-176.1	0	0	0	0	105.8	S180 P184 Q225 T260	S180-V182 VanDerWaalsContact O-CG2 3.29Å; S180-V182 WeakPolarHBondContact O-CG2 3.08Å; S180-V182 PolarHBondContact O-N 3.11Å; V182-P184 WeakPolarHBondContact O-CD 3.29Å; V182-Q225 HydrophobicContact CG1-CG 3.77Å; V182-T260 HydrophobicContact CB-CG2 4.27Å; V182-T260 HydrophobicContact CG1-CG2 3.79Å; V182-T260 HydrophobicContact CG2-CG2 3.74Å
183	S	61.2	Low	55.2	Low	9 Å²	9	98 Å²	98	6%	0.063	51%	0.51	C	S	.	.			trans	-61.7	112.4	-172.1	-81.8	0	0	0	0	104	C181 L185 V200 Q225 E262	C181-S183 PolarHBondContact O-N 2.83Å; S183-L185 PolarHBondContact O-N 3.48Å; S183-V200 VanDerWaalsContact CB-CG2 3.46Å; S183-Q225 PolarHBondContact O-NE2 2.02Å; S183-E262 PolarHBondContact OG-OE1 2.92Å
184	P	75.1	Confident	55.9	Low	64 Å²	64	92.3 Å²	92.3	42%	0.416	49%	0.485	S	S	.	.			trans	-53.6	129.9	-170.3	-28	32.7	0	0	0	109.5	V182 F201 W206	V182-P184 WeakPolarHBondContact O-CD 3.29Å; P184-F201 HydrophobicContact CB-CB 3.96Å; P184-F201 HydrophobicContact CG-CB 4.14Å; P184-F201 HydrophobicContact CG-CD1 4.21Å; P184-F201 WeakPolarHBondContact O-CB 3.39Å; P184-F201 PolarHBondContact O-N 2.86Å; P184-W206 HydrophobicContact CB-CH2 3.87Å; P184-W206 HydrophobicContact CB-CZ2 4.42Å; P184-W206 WeakPolarHBondContact O-CH2 3.5Å; P184-W206 WeakPolarHBondContact O-CZ3 3.34Å
185	L	84.3	Confident	57.8	Low	21 Å²	21	87.1 Å²	87.1	11%	0.11	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.9	176.8	-61.6	-176.5	0	0	0	109.7	S183 V198 E199 V200 V222 Q225 L226 L261	S183-L185 PolarHBondContact O-N 3.48Å; L185-V198 HydrophobicContact CD2-CG1 4.36Å; L185-E199 WeakPolarHBondContact CA-O 3.45Å; L185-V200 HydrophobicContact CD2-CB 3.64Å; L185-V200 HydrophobicContact CD2-CG2 3.72Å; L185-V222 HydrophobicContact CD1-CB 4.41Å; L185-V222 HydrophobicContact CD1-CG1 4.05Å; L185-V222 HydrophobicContact CD1-CG2 4.2Å; L185-Q225 HydrophobicContact CD1-CB 4.1Å; L185-Q225 HydrophobicContact CD1-CG 3.92Å; L185-Q225 HydrophobicContact CG-CG 4.41Å; L185-L226 HydrophobicContact CB-CD2 3.65Å; L185-L226 HydrophobicContact CB-CG 4.15Å; L185-L226 WeakPolarHBondContact O-CD2 3.36Å; L185-L261 HydrophobicContact CD1-CD1 3.85Å; L185-L261 HydrophobicContact CD1-CG 4.26Å; L185-L261 HydrophobicContact CD2-CD1 4Å
186	R	84.2	Confident	60	Low	86 Å²	86	75.4 Å²	75.4	33%	0.325	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.5	168.2	72.6	-176.2	-175.7	178	3.1	110.4	V188 E199 W206	R186-V188 HydrophobicContact CG-CG2 3.74Å; R186-E199 HydrophobicContact CG-CB 3.97Å; R186-E199 IonicContact CZ-OE2 3.81Å; R186-E199 PolarHBondContact N-O 3.28Å; R186-E199 IonicContact NE-OE2 3.02Å; R186-E199 PolarHBondContact NE-OE2 3.35Å; R186-E199 IonicContact NH2-OE2 2.84Å; R186-E199 PolarHBondContact NH2-OE2 2.05Å; R186-E199 PolarHBondContact O-N 3.05Å; R186-W206 HydrophobicContact CB-CH2 3.85Å; R186-W206 HydrophobicContact CB-CZ3 3.83Å; R186-W206 HydrophobicContact CG-CD2 4.26Å; R186-W206 HydrophobicContact CG-CE3 3.66Å; R186-W206 HydrophobicContact CG-CH2 3.81Å; R186-W206 HydrophobicContact CG-CZ2 4.4Å; R186-W206 HydrophobicContact CG-CZ3 3.41Å; R186-W206 VanDerWaalsContact CG-CZ3 3.41Å; R186-W206 VanDerWaalsContact CZ-CG 3.43Å
187	L	85.3	Confident	62.9	Low	11 Å²	11	73.2 Å²	73.2	6%	0.058	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.6	172.2	-56.3	-177.9	0	0	0	110	R190 R197 V198 L226 L228 V282	L187-R190 WeakPolarHBondContact O-CD 3.48Å; L187-R190 WeakPolarHBondContact O-CG 3.08Å; L187-R190 PolarHBondContact O-NE 2.89Å; L187-R197 WeakPolarHBondContact CA-O 3.42Å; L187-V198 HydrophobicContact CD2-CG2 4.04Å; L187-L226 HydrophobicContact CD1-CD1 3.84Å; L187-L226 HydrophobicContact CD2-CD1 3.72Å; L187-L226 HydrophobicContact CG-CD1 3.62Å; L187-L228 HydrophobicContact CD1-CD1 4.44Å; L187-V282 HydrophobicContact CD1-CG2 4.08Å; L187-V282 HydrophobicContact CD2-CG2 3.49Å; L187-V282 VanDerWaalsContact CD2-CG2 3.49Å; L187-V282 HydrophobicContact CG-CG2 4.45Å
188	V	79.8	Confident	66	Low	38 Å²	38	61.9 Å²	61.9	23%	0.23	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.4	-177	-168.9	0	0	0	0	110.2	R186 R197 E199	R186-V188 HydrophobicContact CG-CG2 3.74Å; V188-R197 PolarHBondContact N-O 3.31Å; V188-R197 WeakPolarHBondContact O-CB 3.08Å; V188-R197 PolarHBondContact O-N 2.84Å; V188-E199 HydrophobicContact CG2-CB 4.45Å; V188-E199 VanDerWaalsContact CG2-CD 3.49Å; V188-E199 HydrophobicContact CG2-CG 4.07Å; V188-E199 WeakPolarHBondContact CG2-OE2 3.48Å
189	G	61.8	Low	68.8	Low	41 Å²	41	57.6 Å²	57.6	42%	0.423	32%	0.316	S	S	.	.	S	Bend	trans	81.9	34.8	-174.4	0	0	0	0	0	113.8	F240	G189-F240 WeakPolarHBondContact CA-O 3.28Å
190	R	65.7	Low	71.3	Confident	172 Å²	172	53.5 Å²	53.5	65%	0.649	28%	0.283	S	S	*	.			trans	-71.1	134.5	-164.3	-59	-175.9	-104.9	-164.5	-5.6	113.9	L187	L187-R190 WeakPolarHBondContact O-CD 3.48Å; L187-R190 WeakPolarHBondContact O-CG 3.08Å; L187-R190 PolarHBondContact O-NE 2.89Å
191	Q	53.1	Low	73.4	Confident	181 Å²	181	56.3 Å²	56.3	85%	0.846	29%	0.293	S	S	*	.	S	Bend	trans	-102.4	-23.4	156.1	-66.6	-171.2	15	0	0	112
192	S	56.9	Low	75.2	Confident	51 Å²	51	54.2 Å²	54.2	36%	0.357	27%	0.274	S	S	.	.	S	Bend	trans	-141	169.9	171.3	67.9	0	0	0	0	111.7	S194 E195	S192-S194 PolarHBondContact O-N 3.42Å; S192-E195 PolarHBondContact N-OE1 3.11Å; S192-E195 VanDerWaalsContact OG-CD 3.23Å; S192-E195 WeakPolarHBondContact OG-CG 3.33Å; S192-E195 PolarHBondContact OG-OE1 3.41Å
193	E	64.2	Low	76.1	Confident	174 Å²	174	54.4 Å²	54.4	81%	0.813	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.1	179.1	-69.3	-162.5	158.5	0	0	113.7
194	S	73.9	Confident	76.4	Confident	17 Å²	17	56.6 Å²	56.6	12%	0.119	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	8.3	-172.9	-46.5	0	0	0	0	113.9	S192 C284	S192-S194 PolarHBondContact O-N 3.42Å; S194-C284 WeakPolarHBondContact CB-O 3.21Å; S194-C284 WeakPolarHBondContact O-CA 3.46Å; S194-C284 WeakPolarHBondContact O-CB 3.26Å; S194-C284 PolarHBondContact O-N 2.99Å
195	E	84.9	Confident	76.4	Confident	43 Å²	43	59.5 Å²	59.5	20%	0.201	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.7	178.7	76.6	-160	149.4	0	0	112.6	S192 F240 V282 S283	S192-E195 PolarHBondContact N-OE1 3.11Å; S192-E195 VanDerWaalsContact OG-CD 3.23Å; S192-E195 WeakPolarHBondContact OG-CG 3.33Å; S192-E195 PolarHBondContact OG-OE1 3.41Å; E195-F240 HydrophobicContact CB-CE1 4.15Å; E195-F240 HydrophobicContact CB-CZ 4.05Å; E195-F240 HydrophobicContact CG-CE1 3.8Å; E195-F240 HydrophobicContact CG-CZ 4.21Å; E195-V282 VanDerWaalsContact CA-O 3.26Å; E195-V282 WeakPolarHBondContact CA-O 3.4Å; E195-S283 PolarHBondContact OE2-OG 3.33Å
196	G	87.1	Confident	76.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	179.6	176	0	0	0	0	0	113.7	F240 G281 V282	G196-F240 VanDerWaalsContact CA-CG 3.48Å; G196-F240 WeakPolarHBondContact O-CD2 3.46Å; G196-G281 CarbonylContact O-C 3.56Å; G196-G281 VanDerWaalsContact O-CA 3.24Å; G196-G281 WeakPolarHBondContact O-CA 3.28Å; G196-V282 PolarHBondContact N-O 3.19Å; G196-V282 PolarHBondContact O-N 2.73Å
197	R	90.9	Very high	76.4	Confident	19 Å²	19	57 Å²	57	7%	0.072	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.6	170.7	-179	-179.8	60.7	-97.8	0.8	108.7	L187 V188 E199 F240 G241 D279 A280	L187-R197 WeakPolarHBondContact CA-O 3.42Å; V188-R197 PolarHBondContact N-O 3.31Å; V188-R197 WeakPolarHBondContact O-CB 3.08Å; V188-R197 PolarHBondContact O-N 2.84Å; R197-E199 IonicContact CZ-OE1 3.14Å; R197-E199 IonicContact NE-OE1 3.58Å; R197-E199 PolarHBondContact NE-OE1 3.03Å; R197-E199 IonicContact NH2-OE1 3.94Å; R197-E199 PolarHBondContact NH2-OE1 3.47Å; R197-E199 PolarHBondContact O-N 3.4Å; R197-F240 HydrophobicContact CB-CB 4.08Å; R197-F240 VanDerWaalsContact N-CB 3.3Å; R197-F240 PolarHBondContact NH1-O 3.45Å; R197-G241 WeakPolarHBondContact CD-O 3.5Å; R197-G241 PolarHBondContact NH1-O 2.98Å; R197-D279 HydrophobicContact CG-CB 4.08Å; R197-A280 WeakPolarHBondContact CG-O 3.49Å
198	V	91	Very high	76.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.3	179.2	-170.6	0	0	0	0	108.8	L185 L187 I209 W214 V222 A280 V282	L185-V198 HydrophobicContact CD2-CG1 4.36Å; L187-V198 HydrophobicContact CD2-CG2 4.04Å; V198-I209 HydrophobicContact CB-CD1 4.24Å; V198-I209 HydrophobicContact CG1-CD1 3.65Å; V198-I209 HydrophobicContact CG1-CG1 4.48Å; V198-W214 HydrophobicContact CG2-CZ2 4.13Å; V198-V222 HydrophobicContact CG1-CG1 3.99Å; V198-V222 HydrophobicContact CG1-CG2 4.26Å; V198-V222 HydrophobicContact CG2-CG1 3.96Å; V198-A280 PolarHBondContact N-O 3.45Å; V198-V282 HydrophobicContact CG2-CB 4.22Å; V198-V282 HydrophobicContact CG2-CG1 3.62Å; V198-V282 HydrophobicContact CG2-CG2 3.81Å
199	E	90.4	Very high	77.2	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.1	168.3	-67.7	-177.9	-172.6	0	0	109.5	L185 R186 V188 R197 W206 G207	L185-E199 WeakPolarHBondContact CA-O 3.45Å; R186-E199 HydrophobicContact CG-CB 3.97Å; R186-E199 IonicContact CZ-OE2 3.81Å; R186-E199 PolarHBondContact N-O 3.28Å; R186-E199 IonicContact NE-OE2 3.02Å; R186-E199 PolarHBondContact NE-OE2 3.35Å; R186-E199 IonicContact NH2-OE2 2.84Å; R186-E199 PolarHBondContact NH2-OE2 2.05Å; R186-E199 PolarHBondContact O-N 3.05Å; V188-E199 HydrophobicContact CG2-CB 4.45Å; V188-E199 VanDerWaalsContact CG2-CD 3.49Å; V188-E199 HydrophobicContact CG2-CG 4.07Å; V188-E199 WeakPolarHBondContact CG2-OE2 3.48Å; R197-E199 IonicContact CZ-OE1 3.14Å; R197-E199 IonicContact NE-OE1 3.58Å; R197-E199 PolarHBondContact NE-OE1 3.03Å; R197-E199 IonicContact NH2-OE1 3.94Å; R197-E199 PolarHBondContact NH2-OE1 3.47Å; R197-E199 PolarHBondContact O-N 3.4Å; E199-W206 HydrophobicContact CB-CE3 3.99Å; E199-W206 WeakPolarHBondContact O-CZ3 3.19Å; E199-G207 CarbonylContact C-O 3.59Å; E199-G207 VanDerWaalsContact CA-O 3.22Å; E199-G207 WeakPolarHBondContact CA-O 3.47Å
200	V	86.1	Confident	78.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.9	177.9	62.6	0	0	0	0	109.8	S183 L185 G207 I209 W248 L249 W269	S183-V200 VanDerWaalsContact CB-CG2 3.46Å; L185-V200 HydrophobicContact CD2-CB 3.64Å; L185-V200 HydrophobicContact CD2-CG2 3.72Å; V200-G207 PolarHBondContact N-O 2.93Å; V200-G207 PolarHBondContact O-N 3.11Å; V200-I209 HydrophobicContact CB-CD1 4.42Å; V200-I209 HydrophobicContact CG1-CD1 4.4Å; V200-I209 HydrophobicContact CG1-CG1 4.08Å; V200-W248 HydrophobicContact CG1-CB 3.63Å; V200-W248 HydrophobicContact CG1-CG 4.19Å; V200-L249 HydrophobicContact CG1-CD1 4.19Å; V200-L249 HydrophobicContact CG1-CG 4.3Å; V200-W269 HydrophobicContact CG1-CZ3 4.16Å; V200-W269 HydrophobicContact CG2-CH2 4.07Å; V200-W269 HydrophobicContact CG2-CZ3 4.12Å
201	F	78.8	Confident	79.6	Confident	70 Å²	70	46 Å²	46	31%	0.307	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	114	176.5	-173.6	-101.9	0	0	0	110.5	P184 G204 W206	P184-F201 HydrophobicContact CB-CB 3.96Å; P184-F201 HydrophobicContact CG-CB 4.14Å; P184-F201 HydrophobicContact CG-CD1 4.21Å; P184-F201 WeakPolarHBondContact O-CB 3.39Å; P184-F201 PolarHBondContact O-N 2.86Å; F201-G204 WeakPolarHBondContact CE2-O 3.41Å; F201-G204 VanDerWaalsContact CZ-CA 3.42Å; F201-W206 HydrophobicContact CB-CD2 3.93Å; F201-W206 HydrophobicContact CB-CE3 3.82Å; F201-W206 HydrophobicContact CB-CH2 3.89Å; F201-W206 HydrophobicContact CB-CZ2 3.98Å; F201-W206 HydrophobicContact CB-CZ3 3.8Å; F201-W206 AromaticContact CD2-CD1 3.66Å; F201-W206 AromaticContact CD2-CD2 3.86Å; F201-W206 HydrophobicContact CD2-CD2 3.86Å; F201-W206 AromaticContact CD2-CE2 3.67Å; F201-W206 AromaticContact CD2-CG 3.88Å; F201-W206 HydrophobicContact CD2-CG 3.88Å; F201-W206 HydrophobicContact CD2-CZ2 4.28Å; F201-W206 AromaticContact CD2-NE1 3.53Å; F201-W206 HydrophobicContact CG-CD2 4.38Å; F201-W206 HydrophobicContact CG-CZ2 4.38Å
202	H	74.8	Confident	81.2	Confident	51 Å²	51	40.5 Å²	40.5	24%	0.236	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.6	179.5	-171.9	80.1	0	0	0	110.5	G204 Q205 W248 W269	H202-G204 PolarHBondContact O-N 2.76Å; H202-G204 VanDerWaalsContact O-N 3.07Å; H202-Q205 PolarHBondContact N-O 3.13Å; H202-Q205 PolarHBondContact O-N 3.4Å; H202-W248 HydrophobicContact CB-CD2 4.12Å; H202-W248 HydrophobicContact CB-CG 4.25Å; H202-W248 WeakPolarHBondContact O-CZ2 3.24Å; H202-W269 HydrophobicContact CB-CE3 3.78Å; H202-W269 HydrophobicContact CB-CH2 4.17Å; H202-W269 HydrophobicContact CB-CZ3 3.55Å; H202-W269 AromaticContact CD2-CD2 3.87Å; H202-W269 AromaticContact CD2-CE3 3.75Å; H202-W269 AromaticContact CE1-CD1 3.82Å; H202-W269 AromaticContact CE1-CD2 3.44Å; H202-W269 VanDerWaalsContact CE1-CD2 3.44Å; H202-W269 AromaticContact CE1-CE2 3.48Å; H202-W269 VanDerWaalsContact CE1-CE2 3.48Å; H202-W269 AromaticContact CE1-CE3 3.93Å; H202-W269 AromaticContact CE1-CG 3.67Å; H202-W269 AromaticContact CE1-CZ2 3.98Å; H202-W269 AromaticContact CE1-NE1 3.71Å; H202-W269 AromaticContact CG-CD2 3.75Å; H202-W269 AromaticContact CG-CE3 3.39Å; H202-W269 AromaticContact CG-CZ3 3.57Å; H202-W269 AromaticContact ND1-CD2 3.48Å; H202-W269 AromaticContact ND1-CE2 3.49Å; H202-W269 AromaticContact ND1-CE3 3.53Å; H202-W269 AromaticContact ND1-CH2 3.6Å; H202-W269 AromaticContact ND1-CZ2 3.55Å; H202-W269 AromaticContact ND1-CZ3 3.6Å; H202-W269 AromaticContact NE2-CD2 3.73Å; H202-W269 AromaticContact NE2-CG 3.65Å
203	A	69.1	Low	82.4	Confident	81 Å²	81	43.2 Å²	43.2	67%	0.669	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	36	179.3	0	0	0	0	0	115.2	Q205 W248	A203-Q205 VanDerWaalsContact C-N 3.34Å; A203-W248 HydrophobicContact CB-CH2 4.36Å
204	G	66.3	Low	83.6	Confident	55 Å²	55	36 Å²	36	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	4	178.6	0	0	0	0	0	115.1	F201 H202	F201-G204 WeakPolarHBondContact CE2-O 3.41Å; F201-G204 VanDerWaalsContact CZ-CA 3.42Å; H202-G204 PolarHBondContact O-N 2.76Å; H202-G204 VanDerWaalsContact O-N 3.07Å
205	Q	74.9	Confident	84	Confident	125 Å²	125	38.7 Å²	38.7	58%	0.584	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.3	-177.5	-58.5	-174.7	-1.4	0	0	112.7	H202 A203 W248	H202-Q205 PolarHBondContact N-O 3.13Å; H202-Q205 PolarHBondContact O-N 3.4Å; A203-Q205 VanDerWaalsContact C-N 3.34Å; Q205-W248 HydrophobicContact CB-CZ2 4.3Å; Q205-W248 PolarHBondContact O-NE1 2.8Å; Q205-W248 VanDerWaalsContact O-NE1 3.16Å
206	W	83.4	Confident	83.7	Confident	55 Å²	55	39.5 Å²	39.5	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.3	171.8	-69.7	94.9	0	0	0	110.6	P184 R186 E199 F201	P184-W206 HydrophobicContact CB-CH2 3.87Å; P184-W206 HydrophobicContact CB-CZ2 4.42Å; P184-W206 WeakPolarHBondContact O-CH2 3.5Å; P184-W206 WeakPolarHBondContact O-CZ3 3.34Å; R186-W206 HydrophobicContact CB-CH2 3.85Å; R186-W206 HydrophobicContact CB-CZ3 3.83Å; R186-W206 HydrophobicContact CG-CD2 4.26Å; R186-W206 HydrophobicContact CG-CE3 3.66Å; R186-W206 HydrophobicContact CG-CH2 3.81Å; R186-W206 HydrophobicContact CG-CZ2 4.4Å; R186-W206 HydrophobicContact CG-CZ3 3.41Å; R186-W206 VanDerWaalsContact CG-CZ3 3.41Å; R186-W206 VanDerWaalsContact CZ-CG 3.43Å; E199-W206 HydrophobicContact CB-CE3 3.99Å; E199-W206 WeakPolarHBondContact O-CZ3 3.19Å; F201-W206 HydrophobicContact CB-CD2 3.93Å; F201-W206 HydrophobicContact CB-CE3 3.82Å; F201-W206 HydrophobicContact CB-CH2 3.89Å; F201-W206 HydrophobicContact CB-CZ2 3.98Å; F201-W206 HydrophobicContact CB-CZ3 3.8Å; F201-W206 AromaticContact CD2-CD1 3.66Å; F201-W206 AromaticContact CD2-CD2 3.86Å; F201-W206 HydrophobicContact CD2-CD2 3.86Å; F201-W206 AromaticContact CD2-CE2 3.67Å; F201-W206 AromaticContact CD2-CG 3.88Å; F201-W206 HydrophobicContact CD2-CG 3.88Å; F201-W206 HydrophobicContact CD2-CZ2 4.28Å; F201-W206 AromaticContact CD2-NE1 3.53Å; F201-W206 HydrophobicContact CG-CD2 4.38Å; F201-W206 HydrophobicContact CG-CZ2 4.38Å
207	G	85.2	Confident	83.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	161	175.1	0	0	0	0	0	112.2	E199 V200 R246 W248	E199-G207 CarbonylContact C-O 3.59Å; E199-G207 VanDerWaalsContact CA-O 3.22Å; E199-G207 WeakPolarHBondContact CA-O 3.47Å; V200-G207 PolarHBondContact N-O 2.93Å; V200-G207 PolarHBondContact O-N 3.11Å; G207-R246 CarbonylContact C-O 3.45Å; G207-R246 WeakPolarHBondContact CA-O 3.45Å; G207-W248 VanDerWaalsContact N-CD1 3.26Å
208	S	90.6	Very high	83	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	171.8	-177.6	54.6	0	0	0	0	112.5	R246 V247 W248 D279	S208-R246 PolarHBondContact N-O 3.44Å; S208-R246 VanDerWaalsContact N-O 3.13Å; S208-V247 CarbonylContact O-C 3.47Å; S208-V247 WeakPolarHBondContact O-CA 3.23Å; S208-V247 WeakPolarHBondContact O-CG1 3.36Å; S208-W248 PolarHBondContact O-N 2.91Å; S208-D279 VanDerWaalsContact CB-CG 3.4Å; S208-D279 WeakPolarHBondContact CB-OD1 3.06Å; S208-D279 VanDerWaalsContact OG-CG 3.25Å; S208-D279 PolarHBondContact OG-OD1 2.84Å; S208-D279 PolarHBondContact OG-OD2 2.99Å
209	I	91.9	Very high	82.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.7	174.2	-56.2	-179.6	0	0	0	107.5	V198 V200 W214 L249 V252 L261 D279 A280	V198-I209 HydrophobicContact CB-CD1 4.24Å; V198-I209 HydrophobicContact CG1-CD1 3.65Å; V198-I209 HydrophobicContact CG1-CG1 4.48Å; V200-I209 HydrophobicContact CB-CD1 4.42Å; V200-I209 HydrophobicContact CG1-CD1 4.4Å; V200-I209 HydrophobicContact CG1-CG1 4.08Å; I209-W214 HydrophobicContact CD1-CH2 4.25Å; I209-W214 HydrophobicContact CD1-CZ3 4.38Å; I209-W214 HydrophobicContact CG2-CE3 3.99Å; I209-W214 HydrophobicContact CG2-CH2 4.4Å; I209-W214 HydrophobicContact CG2-CZ3 3.71Å; I209-L249 HydrophobicContact CB-CB 4.45Å; I209-L249 HydrophobicContact CD1-CD1 4.18Å; I209-L249 HydrophobicContact CG1-CB 4.18Å; I209-L249 HydrophobicContact CG1-CD1 4.39Å; I209-L249 HydrophobicContact CG2-CB 3.96Å; I209-V252 HydrophobicContact CG2-CG2 3.92Å; I209-L261 HydrophobicContact CD1-CD1 3.52Å; I209-D279 CarbonylContact O-C 3.44Å; I209-D279 WeakPolarHBondContact O-CA 3.32Å; I209-A280 HydrophobicContact CB-CB 4.32Å; I209-A280 HydrophobicContact CG2-CB 4.39Å; I209-A280 WeakPolarHBondContact O-CB 3.32Å; I209-A280 PolarHBondContact O-N 3.09Å
210	C	90.3	Very high	82.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-75.3	150.3	175.3	-173.3	0	0	0	0	112.2	D212 V247 L249 D250 C274 G278	C210-D212 VanDerWaalsContact C-N 3.34Å; C210-D212 PolarHBondContact SG-N 3.24Å; C210-D212 VanDerWaalsContact SG-N 3.35Å; C210-V247 HydrophobicContact CB-CG1 4.3Å; C210-L249 PolarHBondContact N-O 3.45Å; C210-D250 HydrophobicContact CB-CB 4.28Å; C210-D250 WeakPolarHBondContact CB-OD1 3.28Å; C210-C274 HydrophobicContact CB-CB 3.67Å; C210-C274 WeakPolarHBondContact CB-SG 2.97Å; C210-C274 WeakPolarHBondContact SG-CB 3.38Å; C210-C274 CovalentContact SG-SG 2Å; C210-C274 PolarHBondContact SG-SG 2.82Å; C210-G278 CarbonylContact C-O 3.55Å; C210-G278 WeakPolarHBondContact CA-O 3.4Å
211	D	88	Confident	81.9	Confident	27 Å²	27	41.8 Å²	41.8	14%	0.144	23%	0.23	C	C	.	.			trans	-82.8	-4	175.4	64.7	-12.9	0	0	0	114.8	Q213 W214 S236 Q237 G278 A280	D211-Q213 PolarHBondContact O-N 2.78Å; D211-W214 HydrophobicContact CB-CB 4.42Å; D211-W214 VanDerWaalsContact O-CB 3.26Å; D211-W214 WeakPolarHBondContact O-CB 3.38Å; D211-W214 PolarHBondContact O-N 3.24Å; D211-W214 VanDerWaalsContact O-N 3.08Å; D211-S236 WeakPolarHBondContact OD2-CB 3.33Å; D211-Q237 PolarHBondContact OD2-N 2.82Å; D211-G278 VanDerWaalsContact CG-O 3.23Å; D211-G278 PolarHBondContact N-O 3.25Å; D211-G278 VanDerWaalsContact OD1-CA 3.29Å; D211-G278 WeakPolarHBondContact OD1-CA 3.32Å; D211-G278 WeakPolarHBondContact OD2-CA 3.25Å; D211-A280 HydrophobicContact CB-CB 4.39Å
212	D	85.9	Confident	82.3	Confident	67 Å²	67	38.5 Å²	38.5	36%	0.358	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	123.3	173.1	-79.9	-2.7	0	0	0	110.1	C210 W214 D250 E251	C210-D212 VanDerWaalsContact C-N 3.34Å; C210-D212 PolarHBondContact SG-N 3.24Å; C210-D212 VanDerWaalsContact SG-N 3.35Å; D212-W214 PolarHBondContact O-N 2.81Å; D212-W214 VanDerWaalsContact O-N 3.17Å; D212-D250 WeakPolarHBondContact CB-OD1 3.49Å; D212-E251 WeakPolarHBondContact O-CA 3.27Å
213	Q	83.1	Confident	82.6	Confident	108 Å²	108	36.1 Å²	36.1	51%	0.505	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	8.2	-172.4	-64.4	-66.7	122.2	0	0	116	D211 D215 R253	D211-Q213 PolarHBondContact O-N 2.78Å; Q213-D215 PolarHBondContact O-N 2.8Å; Q213-R253 HydrophobicContact CB-CG 4.01Å; Q213-R253 VanDerWaalsContact NE2-NH2 3.15Å
214	W	89.8	Confident	82.9	Confident	22 Å²	22	34.3 Å²	34.3	8%	0.083	18%	0.18	C	C	.	.			trans	-74.2	114.9	-179	-170.3	-104.2	0	0	0	112.6	V198 I209 D211 D212 D218 V222 A234 V252 L261 A280 G281 V282	V198-W214 HydrophobicContact CG2-CZ2 4.13Å; I209-W214 HydrophobicContact CD1-CH2 4.25Å; I209-W214 HydrophobicContact CD1-CZ3 4.38Å; I209-W214 HydrophobicContact CG2-CE3 3.99Å; I209-W214 HydrophobicContact CG2-CH2 4.4Å; I209-W214 HydrophobicContact CG2-CZ3 3.71Å; D211-W214 HydrophobicContact CB-CB 4.42Å; D211-W214 VanDerWaalsContact O-CB 3.26Å; D211-W214 WeakPolarHBondContact O-CB 3.38Å; D211-W214 PolarHBondContact O-N 3.24Å; D211-W214 VanDerWaalsContact O-N 3.08Å; D212-W214 PolarHBondContact O-N 2.81Å; D212-W214 VanDerWaalsContact O-N 3.17Å; W214-D218 WeakPolarHBondContact CA-OD2 3.1Å; W214-D218 HydrophobicContact CD2-CB 3.93Å; W214-D218 HydrophobicContact CE3-CB 3.73Å; W214-D218 HydrophobicContact CH2-CB 3.99Å; W214-D218 HydrophobicContact CZ2-CB 4.17Å; W214-D218 HydrophobicContact CZ3-CB 3.76Å; W214-V222 HydrophobicContact CH2-CG2 3.59Å; W214-V222 HydrophobicContact CZ2-CG2 3.91Å; W214-A234 VanDerWaalsContact CD1-CB 3.43Å; W214-A234 HydrophobicContact CG-CB 4.4Å; W214-V252 HydrophobicContact CE3-CB 3.94Å; W214-V252 HydrophobicContact CE3-CG1 4.43Å; W214-V252 HydrophobicContact CE3-CG2 4.32Å; W214-V252 HydrophobicContact CZ3-CB 3.87Å; W214-V252 HydrophobicContact CZ3-CG1 3.98Å; W214-V252 HydrophobicContact CZ3-CG2 4.05Å; W214-L261 HydrophobicContact CH2-CD1 4.41Å; W214-L261 HydrophobicContact CH2-CD2 4.18Å; W214-L261 HydrophobicContact CZ3-CD2 4.31Å; W214-A280 HydrophobicContact CD2-CB 3.72Å; W214-A280 HydrophobicContact CE3-CB 4.28Å; W214-A280 HydrophobicContact CG-CB 3.79Å; W214-A280 HydrophobicContact CZ2-CB 4.37Å; W214-G281 PolarHBondContact NE1-O 3.14Å; W214-V282 HydrophobicContact CZ2-CG1 3.81Å
215	D	81.3	Confident	83.3	Confident	73 Å²	73	33.3 Å²	33.3	39%	0.39	16%	0.16	S	C	.	.			trans	-127.7	177.6	-176.9	80	17.7	0	0	0	114.4	Q213 S217 D218 A219 A234	Q213-D215 PolarHBondContact O-N 2.8Å; D215-S217 PolarHBondContact O-N 2.83Å; D215-S217 VanDerWaalsContact O-N 3.16Å; D215-S217 VanDerWaalsContact OD1-CA 3.28Å; D215-S217 WeakPolarHBondContact OD1-CA 3.09Å; D215-S217 WeakPolarHBondContact OD1-CB 3.15Å; D215-S217 PolarHBondContact OD1-N 2.93Å; D215-S217 PolarHBondContact OD1-OG 3.12Å; D215-D218 PolarHBondContact N-OD2 2.98Å; D215-D218 WeakPolarHBondContact O-CB 3.41Å; D215-D218 PolarHBondContact O-N 2.97Å; D215-D218 PolarHBondContact OD1-N 3.31Å; D215-A219 PolarHBondContact O-N 2.81Å; D215-A234 VanDerWaalsContact O-CB 3.29Å; D215-A234 WeakPolarHBondContact O-CB 3.47Å
216	D	79.4	Confident	83.4	Confident	60 Å²	60	29.7 Å²	29.7	32%	0.321	15%	0.145	S	C	.	.	H	α-helix	trans	-62.7	-21.3	-177.8	-71	-18	0	0	0	112.9	E220 R233 A234	D216-E220 WeakPolarHBondContact O-CB 3.49Å; D216-E220 PolarHBondContact O-N 2.87Å; D216-R233 WeakPolarHBondContact OD1-CA 3.44Å; D216-A234 PolarHBondContact OD1-N 3.21Å
217	S	78.4	Confident	82.5	Confident	19 Å²	19	29.1 Å²	29.1	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-73.6	-36.3	174.5	-40.2	0	0	0	0	110.9	D215 E220 V221 C254	D215-S217 PolarHBondContact O-N 2.83Å; D215-S217 VanDerWaalsContact O-N 3.16Å; D215-S217 VanDerWaalsContact OD1-CA 3.28Å; D215-S217 WeakPolarHBondContact OD1-CA 3.09Å; D215-S217 WeakPolarHBondContact OD1-CB 3.15Å; D215-S217 PolarHBondContact OD1-N 2.93Å; D215-S217 PolarHBondContact OD1-OG 3.12Å; S217-E220 PolarHBondContact O-N 3.15Å; S217-V221 WeakPolarHBondContact O-CG2 3.21Å; S217-V221 PolarHBondContact O-N 2.91Å; S217-C254 WeakPolarHBondContact CB-O 3.33Å
218	D	84.8	Confident	81.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-43.2	170.8	-55.4	-50.1	0	0	0	111.4	W214 D215 E220 V221 V222 C254	W214-D218 WeakPolarHBondContact CA-OD2 3.1Å; W214-D218 HydrophobicContact CD2-CB 3.93Å; W214-D218 HydrophobicContact CE3-CB 3.73Å; W214-D218 HydrophobicContact CH2-CB 3.99Å; W214-D218 HydrophobicContact CZ2-CB 4.17Å; W214-D218 HydrophobicContact CZ3-CB 3.76Å; D215-D218 PolarHBondContact N-OD2 2.98Å; D215-D218 WeakPolarHBondContact O-CB 3.41Å; D215-D218 PolarHBondContact O-N 2.97Å; D215-D218 PolarHBondContact OD1-N 3.31Å; D218-E220 VanDerWaalsContact C-N 3.29Å; D218-E220 PolarHBondContact O-N 2.81Å; D218-V221 PolarHBondContact O-N 3.15Å; D218-V222 WeakPolarHBondContact O-CG2 3.07Å; D218-V222 PolarHBondContact O-N 3.11Å; D218-C254 WeakPolarHBondContact OD1-CA 3.48Å; D218-C254 WeakPolarHBondContact OD1-CB 3.48Å; D218-C254 PolarHBondContact OD1-N 2.85Å; D218-C254 PolarHBondContact OD1-SG 2.75Å
219	A	85.1	Confident	80.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-39	176.3	0	0	0	0	0	112	D215 V221 V222 C223 A232 A234 V282	D215-A219 PolarHBondContact O-N 2.81Å; A219-V221 VanDerWaalsContact C-N 3.33Å; A219-V221 PolarHBondContact O-N 2.78Å; A219-V222 PolarHBondContact O-N 3.06Å; A219-C223 WeakPolarHBondContact O-CB 3.35Å; A219-C223 PolarHBondContact O-N 2.93Å; A219-C223 PolarHBondContact O-SG 2.92Å; A219-A232 VanDerWaalsContact C-CB 3.47Å; A219-A232 HydrophobicContact CB-CB 4Å; A219-A234 HydrophobicContact CB-CB 4.06Å; A219-V282 HydrophobicContact CB-CB 4.35Å; A219-V282 HydrophobicContact CB-CG1 3.7Å
220	E	76.8	Confident	79	Confident	62 Å²	62	32.7 Å²	32.7	29%	0.29	18%	0.184	S	C	.	.	H	α-helix	trans	-59.9	-43.5	176.3	-172.7	61.6	-147.7	0	0	111.5	D216 S217 D218 R224 A232	D216-E220 WeakPolarHBondContact O-CB 3.49Å; D216-E220 PolarHBondContact O-N 2.87Å; S217-E220 PolarHBondContact O-N 3.15Å; D218-E220 VanDerWaalsContact C-N 3.29Å; D218-E220 PolarHBondContact O-N 2.81Å; E220-R224 VanDerWaalsContact O-CB 3.24Å; E220-R224 WeakPolarHBondContact O-CB 3.45Å; E220-R224 PolarHBondContact O-N 2.83Å; E220-A232 VanDerWaalsContact CA-CB 3.4Å; E220-A232 HydrophobicContact CB-CB 4.09Å; E220-A232 VanDerWaalsContact OE2-CB 3.26Å; E220-A232 WeakPolarHBondContact OE2-CB 3.08Å
221	V	83	Confident	77.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-42.8	176.2	174.4	0	0	0	0	111.4	S217 D218 A219 Q225 C254 E258 L261	S217-V221 WeakPolarHBondContact O-CG2 3.21Å; S217-V221 PolarHBondContact O-N 2.91Å; D218-V221 PolarHBondContact O-N 3.15Å; A219-V221 VanDerWaalsContact C-N 3.33Å; A219-V221 PolarHBondContact O-N 2.78Å; V221-Q225 VanDerWaalsContact O-CB 3.27Å; V221-Q225 WeakPolarHBondContact O-CB 3.35Å; V221-Q225 PolarHBondContact O-N 2.87Å; V221-C254 HydrophobicContact CB-CB 4.46Å; V221-C254 HydrophobicContact CG2-CB 3.71Å; V221-E258 HydrophobicContact CG1-CB 4.2Å; V221-E258 WeakPolarHBondContact CG1-O 3.45Å; V221-E258 HydrophobicContact CG2-CB 3.9Å; V221-E258 WeakPolarHBondContact CG2-O 3.19Å; V221-L261 HydrophobicContact CG1-CD2 4.17Å; V221-L261 HydrophobicContact CG1-CG 4.36Å
222	V	86	Confident	76.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-49.2	177.7	172.6	0	0	0	0	112.1	L185 V198 W214 D218 A219 R224 Q225 L226 L261 V282	L185-V222 HydrophobicContact CD1-CB 4.41Å; L185-V222 HydrophobicContact CD1-CG1 4.05Å; L185-V222 HydrophobicContact CD1-CG2 4.2Å; V198-V222 HydrophobicContact CG1-CG1 3.99Å; V198-V222 HydrophobicContact CG1-CG2 4.26Å; V198-V222 HydrophobicContact CG2-CG1 3.96Å; W214-V222 HydrophobicContact CH2-CG2 3.59Å; W214-V222 HydrophobicContact CZ2-CG2 3.91Å; D218-V222 WeakPolarHBondContact O-CG2 3.07Å; D218-V222 PolarHBondContact O-N 3.11Å; A219-V222 PolarHBondContact O-N 3.06Å; V222-R224 VanDerWaalsContact C-N 3.29Å; V222-R224 PolarHBondContact O-N 3.3Å; V222-Q225 PolarHBondContact O-N 2.86Å; V222-L226 HydrophobicContact CG1-CD1 3.78Å; V222-L226 HydrophobicContact CG1-CG 4.47Å; V222-L226 WeakPolarHBondContact O-CB 3.37Å; V222-L226 WeakPolarHBondContact O-CG 3.35Å; V222-L226 PolarHBondContact O-N 3.43Å; V222-L261 HydrophobicContact CG2-CD1 3.59Å; V222-L261 HydrophobicContact CG2-CD2 3.79Å; V222-L261 HydrophobicContact CG2-CG 3.74Å; V222-V282 HydrophobicContact CB-CG1 4.09Å; V222-V282 HydrophobicContact CG1-CB 4.5Å; V222-V282 HydrophobicContact CG1-CG1 4.04Å; V222-V282 HydrophobicContact CG1-CG2 3.78Å
223	C	81.8	Confident	76.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-45.5	179.1	-71.4	0	0	0	0	110.3	A219 L226 G227 L228 A232 C284	A219-C223 WeakPolarHBondContact O-CB 3.35Å; A219-C223 PolarHBondContact O-N 2.93Å; A219-C223 PolarHBondContact O-SG 2.92Å; C223-L226 PolarHBondContact O-N 3.49Å; C223-G227 PolarHBondContact O-N 2.77Å; C223-L228 CarbonylContact C-O 3.41Å; C223-L228 VanDerWaalsContact C-O 3.27Å; C223-L228 HydrophobicContact CB-CB 4.45Å; C223-L228 CarbonylContact O-C 3.52Å; C223-L228 WeakPolarHBondContact O-CA 3.18Å; C223-L228 WeakPolarHBondContact O-CB 3.28Å; C223-L228 PolarHBondContact O-N 3.1Å; C223-A232 HydrophobicContact CB-CB 4.03Å; C223-A232 VanDerWaalsContact SG-CB 3.55Å; C223-C284 WeakPolarHBondContact CA-SG 3.44Å; C223-C284 HydrophobicContact CB-CB 3.71Å; C223-C284 WeakPolarHBondContact CB-SG 3.35Å; C223-C284 WeakPolarHBondContact SG-CB 3.45Å; C223-C284 CovalentContact SG-SG 2.03Å; C223-C284 PolarHBondContact SG-SG 2.83Å
224	R	74.1	Confident	76.5	Confident	44 Å²	44	36 Å²	36	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-47.4	174.6	176.5	168	59.1	-148.5	-20	112.5	E220 V222 L226 G227 G256 N257 E258	E220-R224 VanDerWaalsContact O-CB 3.24Å; E220-R224 WeakPolarHBondContact O-CB 3.45Å; E220-R224 PolarHBondContact O-N 2.83Å; V222-R224 VanDerWaalsContact C-N 3.29Å; V222-R224 PolarHBondContact O-N 3.3Å; R224-L226 PolarHBondContact O-N 2.79Å; R224-G227 PolarHBondContact O-N 3.06Å; R224-G256 PolarHBondContact NH2-O 2.89Å; R224-N257 PolarHBondContact NH2-O 2.88Å; R224-E258 PolarHBondContact NE-O 2.69Å; R224-E258 VanDerWaalsContact NH2-C 3.27Å; R224-E258 PolarHBondContact NH2-O 3.42Å
225	Q	76.4	Confident	76.1	Confident	33 Å²	33	37.5 Å²	37.5	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-27.5	-179.3	-176.4	174.7	-17	0	0	112.3	V182 S183 L185 V221 V222 G227 T260	V182-Q225 HydrophobicContact CG1-CG 3.77Å; S183-Q225 PolarHBondContact O-NE2 2.02Å; L185-Q225 HydrophobicContact CD1-CB 4.1Å; L185-Q225 HydrophobicContact CD1-CG 3.92Å; L185-Q225 HydrophobicContact CG-CG 4.41Å; V221-Q225 VanDerWaalsContact O-CB 3.27Å; V221-Q225 WeakPolarHBondContact O-CB 3.35Å; V221-Q225 PolarHBondContact O-N 2.87Å; V222-Q225 PolarHBondContact O-N 2.86Å; Q225-G227 VanDerWaalsContact C-N 3.33Å; Q225-T260 HydrophobicContact CG-CG2 4.33Å
226	L	75.4	Confident	76.4	Confident	50 Å²	50	36.9 Å²	36.9	26%	0.262	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.2	175.5	-70.8	170.6	0	0	0	114.1	L185 L187 V222 C223 R224 L228	L185-L226 HydrophobicContact CB-CD2 3.65Å; L185-L226 HydrophobicContact CB-CG 4.15Å; L185-L226 WeakPolarHBondContact O-CD2 3.36Å; L187-L226 HydrophobicContact CD1-CD1 3.84Å; L187-L226 HydrophobicContact CD2-CD1 3.72Å; L187-L226 HydrophobicContact CG-CD1 3.62Å; V222-L226 HydrophobicContact CG1-CD1 3.78Å; V222-L226 HydrophobicContact CG1-CG 4.47Å; V222-L226 WeakPolarHBondContact O-CB 3.37Å; V222-L226 WeakPolarHBondContact O-CG 3.35Å; V222-L226 PolarHBondContact O-N 3.43Å; C223-L226 PolarHBondContact O-N 3.49Å; R224-L226 PolarHBondContact O-N 2.79Å; L226-L228 HydrophobicContact CB-CD1 4.05Å; L226-L228 HydrophobicContact CB-CG 4.25Å
227	G	66.1	Low	76.6	Confident	43 Å²	43	41.3 Å²	41.3	44%	0.443	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	32.5	-174.9	0	0	0	0	0	112.9	C223 R224 Q225 L287	C223-G227 PolarHBondContact O-N 2.77Å; R224-G227 PolarHBondContact O-N 3.06Å; Q225-G227 VanDerWaalsContact C-N 3.33Å; G227-L287 WeakPolarHBondContact O-CD1 3.32Å
228	L	71.8	Confident	76.4	Confident	29 Å²	29	40.8 Å²	40.8	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	159.7	175.1	-57	168.7	0	0	0	108.6	L187 C223 L226 C284	L187-L228 HydrophobicContact CD1-CD1 4.44Å; C223-L228 CarbonylContact C-O 3.41Å; C223-L228 VanDerWaalsContact C-O 3.27Å; C223-L228 HydrophobicContact CB-CB 4.45Å; C223-L228 CarbonylContact O-C 3.52Å; C223-L228 WeakPolarHBondContact O-CA 3.18Å; C223-L228 WeakPolarHBondContact O-CB 3.28Å; C223-L228 PolarHBondContact O-N 3.1Å; L226-L228 HydrophobicContact CB-CD1 4.05Å; L226-L228 HydrophobicContact CB-CG 4.25Å; L228-C284 HydrophobicContact CB-CB 3.57Å; L228-C284 HydrophobicContact CD1-CB 3.81Å; L228-C284 HydrophobicContact CG-CB 4.28Å
229	S	63.6	Low	76.3	Confident	12 Å²	12	45.7 Å²	45.7	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	-166.6	-178.3	68.6	0	0	0	0	112	S285 L287	S229-S285 CarbonylContact C-O 3.22Å; S229-S285 PolarHBondContact N-O 2.99Å; S229-S285 CarbonylContact O-C 3.47Å; S229-S285 WeakPolarHBondContact O-CA 3.38Å; S229-S285 WeakPolarHBondContact O-CB 3.41Å; S229-S285 PolarHBondContact O-N 2.96Å; S229-L287 VanDerWaalsContact CB-CD2 3.43Å; S229-L287 WeakPolarHBondContact OG-CD2 3.38Å
230	G	57.9	Low	76.1	Confident	36 Å²	36	46.6 Å²	46.6	37%	0.371	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89.5	-173.1	-178.3	0	0	0	0	0	111.8	A232	G230-A232 PolarHBondContact O-N 2.78Å
231	T	60.3	Low	76.3	Confident	136 Å²	136	45.4 Å²	45.4	83%	0.834	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	92.8	-179.1	-25	0	0	0	0	109.4
232	A	71.6	Confident	76.3	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138	177.3	0	0	0	0	0	110.1	A219 E220 C223 G230	A219-A232 VanDerWaalsContact C-CB 3.47Å; A219-A232 HydrophobicContact CB-CB 4Å; E220-A232 VanDerWaalsContact CA-CB 3.4Å; E220-A232 HydrophobicContact CB-CB 4.09Å; E220-A232 VanDerWaalsContact OE2-CB 3.26Å; E220-A232 WeakPolarHBondContact OE2-CB 3.08Å; C223-A232 HydrophobicContact CB-CB 4.03Å; C223-A232 VanDerWaalsContact SG-CB 3.55Å; G230-A232 PolarHBondContact O-N 2.78Å
233	R	79	Confident	75.9	Confident	112 Å²	112	52 Å²	52	42%	0.423	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.4	179.6	-160.7	174.3	-176.5	102.2	2.5	111.3	D216 V282 S283	D216-R233 WeakPolarHBondContact OD1-CA 3.44Å; R233-V282 VanDerWaalsContact O-CA 3.31Å; R233-V282 WeakPolarHBondContact O-CA 3.46Å; R233-S283 PolarHBondContact N-O 2.79Å; R233-S283 VanDerWaalsContact N-O 3.09Å; R233-S283 PolarHBondContact O-N 3.31Å
234	A	84.3	Confident	75.4	Confident	18 Å²	18	58.1 Å²	58.1	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	140.7	173.6	0	0	0	0	0	111.1	W214 D215 D216 A219	W214-A234 VanDerWaalsContact CD1-CB 3.43Å; W214-A234 HydrophobicContact CG-CB 4.4Å; D215-A234 VanDerWaalsContact O-CB 3.29Å; D215-A234 WeakPolarHBondContact O-CB 3.47Å; D216-A234 PolarHBondContact OD1-N 3.21Å; A219-A234 HydrophobicContact CB-CB 4.06Å
235	W	82.1	Confident	75.5	Confident	55 Å²	55	62.8 Å²	62.8	21%	0.208	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.8	174.9	-65.2	90.5	0	0	0	109.5	H239 F240 A280 G281	W235-H239 HydrophobicContact CB-CB 4.06Å; W235-H239 AromaticContact CD2-ND1 3.96Å; W235-H239 HydrophobicContact CE3-CB 4.46Å; W235-H239 AromaticContact CE3-CD2 3.59Å; W235-H239 AromaticContact CE3-CE1 3.86Å; W235-H239 AromaticContact CE3-CG 3.77Å; W235-H239 AromaticContact CE3-ND1 3.93Å; W235-H239 AromaticContact CE3-NE2 3.68Å; W235-H239 AromaticContact CZ3-CD2 3.89Å; W235-H239 AromaticContact CZ3-NE2 3.62Å; W235-F240 HydrophobicContact CB-CD2 4.45Å; W235-F240 HydrophobicContact CB-CE2 3.87Å; W235-F240 AromaticContact CD1-CE2 3.61Å; W235-F240 AromaticContact CD1-CZ 3.95Å; W235-F240 HydrophobicContact CD2-CE2 4.45Å; W235-F240 AromaticContact CG-CE2 3.68Å; W235-F240 HydrophobicContact CG-CE2 3.68Å; W235-F240 HydrophobicContact CG-CZ 4.19Å; W235-A280 CarbonylContact O-C 3.53Å; W235-A280 WeakPolarHBondContact O-CA 3.46Å; W235-G281 PolarHBondContact N-O 3.14Å; W235-G281 PolarHBondContact O-N 3.47Å
236	S	87.2	Confident	75.8	Confident	60 Å²	60	67.4 Å²	67.4	42%	0.42	36%	0.361	S	S	.	.			trans	-112.6	-179.4	-179.2	53.5	0	0	0	0	111	D211 G238 H239	D211-S236 WeakPolarHBondContact OD2-CB 3.33Å; S236-G238 VanDerWaalsContact C-N 3.3Å; S236-G238 PolarHBondContact O-N 2.95Å; S236-H239 PolarHBondContact O-N 2.81Å
237	Q	82.8	Confident	76.3	Confident	152 Å²	152	65.1 Å²	65.1	71%	0.71	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	30.5	170.6	-56.3	-176.8	1.7	0	0	115.1	D211 H239 S277	D211-Q237 PolarHBondContact OD2-N 2.82Å; Q237-H239 VanDerWaalsContact C-N 3.27Å; Q237-H239 PolarHBondContact O-N 2.03Å; Q237-S277 CarbonylContact C-O 3.41Å; Q237-S277 WeakPolarHBondContact CA-O 3.25Å
238	G	75.3	Confident	77.3	Confident	8 Å²	8	64.3 Å²	64.3	8%	0.082	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	31.7	178.1	0	0	0	0	0	113.5	S236 F240 G241 S277 D279	S236-G238 VanDerWaalsContact C-N 3.3Å; S236-G238 PolarHBondContact O-N 2.95Å; G238-F240 PolarHBondContact O-N 2.93Å; G238-F240 VanDerWaalsContact O-N 3.08Å; G238-G241 CarbonylContact O-C 3.58Å; G238-G241 WeakPolarHBondContact O-CA 3.43Å; G238-G241 PolarHBondContact O-N 2.84Å; G238-S277 PolarHBondContact N-O 2.63Å; G238-D279 WeakPolarHBondContact CA-O 3.34Å; G238-D279 PolarHBondContact N-O 3.05Å; G238-D279 VanDerWaalsContact N-O 3.15Å
239	H	81.4	Confident	78.1	Confident	104 Å²	104	63 Å²	63	48%	0.481	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-38.8	-177.9	179.5	-95.5	0	0	0	114.3	W235 S236 Q237 G241	W235-H239 HydrophobicContact CB-CB 4.06Å; W235-H239 AromaticContact CD2-ND1 3.96Å; W235-H239 HydrophobicContact CE3-CB 4.46Å; W235-H239 AromaticContact CE3-CD2 3.59Å; W235-H239 AromaticContact CE3-CE1 3.86Å; W235-H239 AromaticContact CE3-CG 3.77Å; W235-H239 AromaticContact CE3-ND1 3.93Å; W235-H239 AromaticContact CE3-NE2 3.68Å; W235-H239 AromaticContact CZ3-CD2 3.89Å; W235-H239 AromaticContact CZ3-NE2 3.62Å; S236-H239 PolarHBondContact O-N 2.81Å; Q237-H239 VanDerWaalsContact C-N 3.27Å; Q237-H239 PolarHBondContact O-N 2.03Å; H239-G241 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 2.8Å
240	F	82.2	Confident	79.2	Confident	18 Å²	18	62.7 Å²	62.7	8%	0.079	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	28.4	179.2	-60.6	-75.2	0	0	0	113.1	G189 E195 G196 R197 W235 G238	G189-F240 WeakPolarHBondContact CA-O 3.28Å; E195-F240 HydrophobicContact CB-CE1 4.15Å; E195-F240 HydrophobicContact CB-CZ 4.05Å; E195-F240 HydrophobicContact CG-CE1 3.8Å; E195-F240 HydrophobicContact CG-CZ 4.21Å; G196-F240 VanDerWaalsContact CA-CG 3.48Å; G196-F240 WeakPolarHBondContact O-CD2 3.46Å; R197-F240 HydrophobicContact CB-CB 4.08Å; R197-F240 VanDerWaalsContact N-CB 3.3Å; R197-F240 PolarHBondContact NH1-O 3.45Å; W235-F240 HydrophobicContact CB-CD2 4.45Å; W235-F240 HydrophobicContact CB-CE2 3.87Å; W235-F240 AromaticContact CD1-CE2 3.61Å; W235-F240 AromaticContact CD1-CZ 3.95Å; W235-F240 HydrophobicContact CD2-CE2 4.45Å; W235-F240 AromaticContact CG-CE2 3.68Å; W235-F240 HydrophobicContact CG-CE2 3.68Å; W235-F240 HydrophobicContact CG-CZ 4.19Å; G238-F240 PolarHBondContact O-N 2.93Å; G238-F240 VanDerWaalsContact O-N 3.08Å
241	G	80.3	Confident	80.6	Confident	37 Å²	37	65.4 Å²	65.4	38%	0.381	33%	0.326	S	S	.	.			trans	84.8	154.5	-173.3	0	0	0	0	0	112.2	R197 G238 H239	R197-G241 WeakPolarHBondContact CD-O 3.5Å; R197-G241 PolarHBondContact NH1-O 2.98Å; G238-G241 CarbonylContact O-C 3.58Å; G238-G241 WeakPolarHBondContact O-CA 3.43Å; G238-G241 PolarHBondContact O-N 2.84Å; H239-G241 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 2.8Å
242	K	83.3	Confident	81.9	Confident	133 Å²	133	58.9 Å²	58.9	58%	0.578	29%	0.287	S	S	*	.			trans	-79.2	139.9	-179.2	-56.6	-171.5	-177.1	-179.4	0	110.6	H276	K242-H276 HydrophobicContact CB-CB 4.04Å; K242-H276 WeakPolarHBondContact CB-O 3.35Å; K242-H276 VanDerWaalsContact CG-O 3.3Å; K242-H276 WeakPolarHBondContact CG-O 3.42Å
243	G	76.8	Confident	82.5	Confident	7 Å²	7	65.2 Å²	65.2	7%	0.072	31%	0.309	C	S	.	.			trans	-62.8	158.6	167.1	0	0	0	0	0	111.3	H276 D279	G243-H276 WeakPolarHBondContact O-CB 3.39Å; G243-H276 PolarHBondContact O-CD2 2.7Å; G243-H276 VanDerWaalsContact O-CG 3.24Å; G243-D279 WeakPolarHBondContact CA-OD2 3.47Å; G243-D279 PolarHBondContact N-OD2 3.45Å
244	T	72.1	Confident	82.7	Confident	128 Å²	128	60.4 Å²	60.4	79%	0.785	29%	0.293	S	S	*	.	S	Bend	trans	-119.6	-0.1	178.9	53.4	0	0	0	0	112.2
245	R	75.6	Confident	82.1	Confident	143 Å²	143	62.1 Å²	62.1	54%	0.54	30%	0.303	S	S	.	.	S	Bend	trans	-129.6	160.3	-174.2	-61.9	-176.8	178.6	174.5	-2.5	108.6	H276	R245-H276 PolarHBondContact O-CE1 2.84Å; R245-H276 PolarHBondContact O-NE2 3.29Å; R245-H276 VanDerWaalsContact O-NE2 3.11Å
246	R	82.8	Confident	81.4	Confident	130 Å²	130	59.6 Å²	59.6	49%	0.491	29%	0.294	S	S	.	.			trans	-38.8	141.7	-176.8	174.1	171.9	-100.5	-86.5	4.7	114.8	G207 S208 W248 G270	G207-R246 CarbonylContact C-O 3.45Å; G207-R246 WeakPolarHBondContact CA-O 3.45Å; S208-R246 PolarHBondContact N-O 3.44Å; S208-R246 VanDerWaalsContact N-O 3.13Å; R246-W248 HydrophobicContact CG-CE3 4.48Å; R246-G270 PolarHBondContact NH1-O 3.47Å
247	V	87	Confident	80.1	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.2	167.1	-169.5	0	0	0	0	108.3	S208 C210 H272	S208-V247 CarbonylContact O-C 3.47Å; S208-V247 WeakPolarHBondContact O-CA 3.23Å; S208-V247 WeakPolarHBondContact O-CG1 3.36Å; C210-V247 HydrophobicContact CB-CG1 4.3Å; V247-H272 HydrophobicContact CG1-CB 4.45Å; V247-H272 PolarHBondContact O-CD2 2.86Å; V247-H272 VanDerWaalsContact O-CD2 3.3Å
248	W	86.9	Confident	79.8	Confident	26 Å²	26	52 Å²	52	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-35	-175.2	-83.6	136	0	0	0	114.1	V200 H202 A203 Q205 G207 S208 R246 W269 G270	V200-W248 HydrophobicContact CG1-CB 3.63Å; V200-W248 HydrophobicContact CG1-CG 4.19Å; H202-W248 HydrophobicContact CB-CD2 4.12Å; H202-W248 HydrophobicContact CB-CG 4.25Å; H202-W248 WeakPolarHBondContact O-CZ2 3.24Å; A203-W248 HydrophobicContact CB-CH2 4.36Å; Q205-W248 HydrophobicContact CB-CZ2 4.3Å; Q205-W248 PolarHBondContact O-NE1 2.8Å; Q205-W248 VanDerWaalsContact O-NE1 3.16Å; G207-W248 VanDerWaalsContact N-CD1 3.26Å; S208-W248 PolarHBondContact O-N 2.91Å; R246-W248 HydrophobicContact CG-CE3 4.48Å; W248-W269 HydrophobicContact CB-CE3 4.13Å; W248-W269 HydrophobicContact CB-CZ3 4.22Å; W248-G270 PolarHBondContact O-N 3.49Å
249	L	87.4	Confident	79.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145	-173.8	-65.1	179.3	0	0	0	110.4	V200 I209 C210 V252 K266 W269	V200-L249 HydrophobicContact CG1-CD1 4.19Å; V200-L249 HydrophobicContact CG1-CG 4.3Å; I209-L249 HydrophobicContact CB-CB 4.45Å; I209-L249 HydrophobicContact CD1-CD1 4.18Å; I209-L249 HydrophobicContact CG1-CB 4.18Å; I209-L249 HydrophobicContact CG1-CD1 4.39Å; I209-L249 HydrophobicContact CG2-CB 3.96Å; C210-L249 PolarHBondContact N-O 3.45Å; L249-V252 HydrophobicContact CB-CG2 4.1Å; L249-K266 HydrophobicContact CD1-CD 4.09Å; L249-K266 HydrophobicContact CD2-CD 3.72Å; L249-K266 HydrophobicContact CD2-CG 4.4Å; L249-K266 HydrophobicContact CG-CD 4.46Å; L249-W269 HydrophobicContact CD1-CH2 4.26Å; L249-W269 HydrophobicContact CD1-CZ3 4.11Å; L249-W269 HydrophobicContact CD2-CD2 3.89Å; L249-W269 HydrophobicContact CD2-CE3 3.51Å; L249-W269 HydrophobicContact CD2-CH2 4.07Å; L249-W269 HydrophobicContact CD2-CZ2 4.39Å; L249-W269 HydrophobicContact CD2-CZ3 3.61Å; L249-W269 HydrophobicContact CG-CE3 4.1Å; L249-W269 HydrophobicContact CG-CH2 4.39Å; L249-W269 HydrophobicContact CG-CZ3 3.81Å
250	D	87.5	Confident	79	Confident	5 Å²	5	52 Å²	52	3%	0.027	26%	0.255	C	S	.	.			trans	-141.6	159.9	178.2	-157.9	-6.4	0	0	0	109.1	C210 D212 V252 S267 H272 N273	C210-D250 HydrophobicContact CB-CB 4.28Å; C210-D250 WeakPolarHBondContact CB-OD1 3.28Å; D212-D250 WeakPolarHBondContact CB-OD1 3.49Å; D250-V252 VanDerWaalsContact C-N 3.29Å; D250-V252 PolarHBondContact O-N 2.89Å; D250-S267 WeakPolarHBondContact O-CB 3.38Å; D250-S267 PolarHBondContact O-N 2.56Å; D250-S267 PolarHBondContact O-OG 3.09Å; D250-H272 HydrophobicContact CB-CB 3.76Å; D250-H272 WeakPolarHBondContact OD2-CA 3.21Å; D250-H272 WeakPolarHBondContact OD2-CB 2.91Å; D250-N273 PolarHBondContact OD2-N 3.45Å
251	E	86.3	Confident	78.8	Confident	93 Å²	93	51.3 Å²	51.3	44%	0.435	25%	0.252	S	S	.	.	S	Bend	trans	44.8	47.3	-177.9	-57.3	-170	-174.2	0	0	114.1	D212 R253 K266	D212-E251 WeakPolarHBondContact O-CA 3.27Å; E251-R253 WeakPolarHBondContact O-CG 3.2Å; E251-K266 WeakPolarHBondContact O-CA 3.41Å
252	V	88.3	Confident	78.6	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.245	C	C	.	.			trans	-71.8	131.3	177.2	-173.4	0	0	0	0	109.2	I209 W214 L249 D250 L261 C264 K266	I209-V252 HydrophobicContact CG2-CG2 3.92Å; W214-V252 HydrophobicContact CE3-CB 3.94Å; W214-V252 HydrophobicContact CE3-CG1 4.43Å; W214-V252 HydrophobicContact CE3-CG2 4.32Å; W214-V252 HydrophobicContact CZ3-CB 3.87Å; W214-V252 HydrophobicContact CZ3-CG1 3.98Å; W214-V252 HydrophobicContact CZ3-CG2 4.05Å; L249-V252 HydrophobicContact CB-CG2 4.1Å; D250-V252 VanDerWaalsContact C-N 3.29Å; D250-V252 PolarHBondContact O-N 2.89Å; V252-L261 HydrophobicContact CG1-CD2 3.96Å; V252-C264 HydrophobicContact CG1-CB 4.09Å; V252-K266 HydrophobicContact CG2-CB 4.12Å
253	R	85.2	Confident	78.1	Confident	138 Å²	138	49.5 Å²	49.5	52%	0.521	24%	0.236	S	C	.	.			trans	-140.2	63.1	-172.6	-59.8	173	103.4	166.6	13.7	112.2	Q213 E251 P265	Q213-R253 HydrophobicContact CB-CG 4.01Å; Q213-R253 VanDerWaalsContact NE2-NH2 3.15Å; E251-R253 WeakPolarHBondContact O-CG 3.2Å; R253-P265 HydrophobicContact CB-CB 4.42Å; R253-P265 PolarHBondContact N-O 3.34Å; R253-P265 WeakPolarHBondContact O-CD 3.22Å
254	C	82.6	Confident	78.4	Confident	10 Å²	10	49.4 Å²	49.4	7%	0.068	23%	0.234	C	C	.	.			trans	-65.4	148.7	176.7	-59.1	0	0	0	0	112.2	S217 D218 V221 G256 C264	S217-C254 WeakPolarHBondContact CB-O 3.33Å; D218-C254 WeakPolarHBondContact OD1-CA 3.48Å; D218-C254 WeakPolarHBondContact OD1-CB 3.48Å; D218-C254 PolarHBondContact OD1-N 2.85Å; D218-C254 PolarHBondContact OD1-SG 2.75Å; V221-C254 HydrophobicContact CB-CB 4.46Å; V221-C254 HydrophobicContact CG2-CB 3.71Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-C264 HydrophobicContact CB-CB 3.92Å; C254-C264 WeakPolarHBondContact CB-SG 3.22Å; C254-C264 WeakPolarHBondContact SG-CB 3.41Å; C254-C264 CovalentContact SG-SG 2.02Å; C254-C264 PolarHBondContact SG-SG 2.95Å
255	S	70.4	Confident	79.1	Confident	54 Å²	54	47.1 Å²	47.1	38%	0.378	22%	0.221	S	C	.	.			trans	-80.9	-12.7	168	65.5	0	0	0	0	113.1	E258	S255-E258 VanDerWaalsContact CB-OE1 3.3Å; S255-E258 WeakPolarHBondContact CB-OE1 3.33Å; S255-E258 VanDerWaalsContact N-CD 3.26Å; S255-E258 PolarHBondContact N-OE1 2.03Å; S255-E258 PolarHBondContact N-OE2 3.08Å; S255-E258 PolarHBondContact OG-OE1 3.38Å; S255-E258 PolarHBondContact OG-OE2 2.75Å; S255-E258 VanDerWaalsContact OG-OE2 3.09Å
256	G	68	Low	79.6	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	93.4	-7.3	-177.2	0	0	0	0	0	113.6	R224 C254 E258	R224-G256 PolarHBondContact NH2-O 2.89Å; C254-G256 VanDerWaalsContact C-N 3.31Å; G256-E258 PolarHBondContact N-OE2 2.78Å
257	N	60.8	Low	79.6	Confident	31 Å²	31	38.3 Å²	38.3	17%	0.166	19%	0.194	C	C	.	.			trans	-103.2	-7.2	-179.8	-78	-4.9	0	0	0	114.1	R224 G297 G299 S300	R224-N257 PolarHBondContact NH2-O 2.88Å; N257-G297 PolarHBondContact ND2-O 3.4Å; N257-G299 VanDerWaalsContact ND2-CA 3.32Å; N257-G299 WeakPolarHBondContact ND2-CA 3.41Å; N257-G299 PolarHBondContact ND2-N 3.5Å; N257-G299 VanDerWaalsContact ND2-N 3.19Å; N257-G299 PolarHBondContact ND2-O 3.02Å; N257-S300 VanDerWaalsContact OD1-CA 3.24Å; N257-S300 WeakPolarHBondContact OD1-CA 3.27Å; N257-S300 PolarHBondContact OD1-N 3.32Å
258	E	76.8	Confident	79.4	Confident	23 Å²	23	40.9 Å²	40.9	11%	0.107	22%	0.216	C	C	.	.			trans	-66.8	128.8	178.6	-64.6	84.1	179.9	0	0	112.3	V221 R224 S255 G256 T260 Q263	V221-E258 HydrophobicContact CG1-CB 4.2Å; V221-E258 WeakPolarHBondContact CG1-O 3.45Å; V221-E258 HydrophobicContact CG2-CB 3.9Å; V221-E258 WeakPolarHBondContact CG2-O 3.19Å; R224-E258 PolarHBondContact NE-O 2.69Å; R224-E258 VanDerWaalsContact NH2-C 3.27Å; R224-E258 PolarHBondContact NH2-O 3.42Å; S255-E258 VanDerWaalsContact CB-OE1 3.3Å; S255-E258 WeakPolarHBondContact CB-OE1 3.33Å; S255-E258 VanDerWaalsContact N-CD 3.26Å; S255-E258 PolarHBondContact N-OE1 2.03Å; S255-E258 PolarHBondContact N-OE2 3.08Å; S255-E258 PolarHBondContact OG-OE1 3.38Å; S255-E258 PolarHBondContact OG-OE2 2.75Å; S255-E258 VanDerWaalsContact OG-OE2 3.09Å; G256-E258 PolarHBondContact N-OE2 2.78Å; E258-T260 PolarHBondContact O-N 3.31Å; E258-T260 VanDerWaalsContact O-N 3.12Å; E258-Q263 HydrophobicContact CB-CB 3.87Å; E258-Q263 HydrophobicContact CG-CB 3.85Å
259	L	63.8	Low	79.2	Confident	102 Å²	102	43.8 Å²	43.8	53%	0.534	23%	0.227	S	C	.	.	S	Bend	trans	-65.5	-21	-179.8	-64	174.9	0	0	0	112.9
260	T	74.4	Confident	78.8	Confident	8 Å²	8	44.5 Å²	44.5	5%	0.049	23%	0.234	C	C	.	.	S	Bend	trans	-152.2	156.6	-179.2	67.2	0	0	0	0	111.7	S180 V182 Q225 E258 E262 Q263	S180-T260 WeakPolarHBondContact CB-OG1 2.85Å; S180-T260 WeakPolarHBondContact OG-CB 3.45Å; S180-T260 PolarHBondContact OG-OG1 2.84Å; V182-T260 HydrophobicContact CB-CG2 4.27Å; V182-T260 HydrophobicContact CG1-CG2 3.79Å; V182-T260 HydrophobicContact CG2-CG2 3.74Å; Q225-T260 HydrophobicContact CG-CG2 4.33Å; E258-T260 PolarHBondContact O-N 3.31Å; E258-T260 VanDerWaalsContact O-N 3.12Å; T260-E262 PolarHBondContact O-N 3.03Å; T260-Q263 WeakPolarHBondContact O-CB 3.46Å; T260-Q263 PolarHBondContact O-N 2.87Å
261	L	79.2	Confident	78.7	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-56.8	-23.3	174.8	-80	-176.2	0	0	0	114.5	L185 I209 W214 V221 V222 V252 Q263 C264 K266	L185-L261 HydrophobicContact CD1-CD1 3.85Å; L185-L261 HydrophobicContact CD1-CG 4.26Å; L185-L261 HydrophobicContact CD2-CD1 4Å; I209-L261 HydrophobicContact CD1-CD1 3.52Å; W214-L261 HydrophobicContact CH2-CD1 4.41Å; W214-L261 HydrophobicContact CH2-CD2 4.18Å; W214-L261 HydrophobicContact CZ3-CD2 4.31Å; V221-L261 HydrophobicContact CG1-CD2 4.17Å; V221-L261 HydrophobicContact CG1-CG 4.36Å; V222-L261 HydrophobicContact CG2-CD1 3.59Å; V222-L261 HydrophobicContact CG2-CD2 3.79Å; V222-L261 HydrophobicContact CG2-CG 3.74Å; V252-L261 HydrophobicContact CG1-CD2 3.96Å; L261-Q263 PolarHBondContact O-N 3.15Å; L261-C264 PolarHBondContact O-N 3.29Å; L261-K266 PolarHBondContact O-NZ 2.97Å; L261-K266 VanDerWaalsContact O-NZ 3.1Å
262	E	76.4	Confident	78.6	Confident	53 Å²	53	49 Å²	49	25%	0.248	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.7	-24.7	177.2	-63.3	-149.3	153.1	0	0	113.6	S180 C181 S183 T260 C264 K266	S180-E262 WeakPolarHBondContact OG-CB 3.44Å; S180-E262 WeakPolarHBondContact OG-CG 3.47Å; S180-E262 PolarHBondContact OG-OE2 3.22Å; C181-E262 WeakPolarHBondContact CA-OE2 3.31Å; C181-E262 WeakPolarHBondContact CB-OE2 3.24Å; C181-E262 PolarHBondContact N-OE2 3.45Å; C181-E262 WeakPolarHBondContact O-CG 3.39Å; S183-E262 PolarHBondContact OG-OE1 2.92Å; T260-E262 PolarHBondContact O-N 3.03Å; E262-C264 VanDerWaalsContact C-N 3.32Å; E262-K266 PolarHBondContact O-NZ 3.24Å
263	Q	72.7	Confident	78.4	Confident	80 Å²	80	55.2 Å²	55.2	37%	0.374	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-83.5	-13.7	179.7	-66.1	169.2	-3.3	0	0	112	E258 T260 L261	E258-Q263 HydrophobicContact CB-CB 3.87Å; E258-Q263 HydrophobicContact CG-CB 3.85Å; T260-Q263 WeakPolarHBondContact O-CB 3.46Å; T260-Q263 PolarHBondContact O-N 2.87Å; L261-Q263 PolarHBondContact O-N 3.15Å
264	C	82	Confident	78.3	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.034	27%	0.268	C	S	.	.	S	Bend	trans	-77.4	141	177.4	-52.8	0	0	0	0	111.4	V252 C254 L261 E262 K266	V252-C264 HydrophobicContact CG1-CB 4.09Å; C254-C264 HydrophobicContact CB-CB 3.92Å; C254-C264 WeakPolarHBondContact CB-SG 3.22Å; C254-C264 WeakPolarHBondContact SG-CB 3.41Å; C254-C264 CovalentContact SG-SG 2.02Å; C254-C264 PolarHBondContact SG-SG 2.95Å; L261-C264 PolarHBondContact O-N 3.29Å; E262-C264 VanDerWaalsContact C-N 3.32Å; C264-K266 PolarHBondContact O-N 3.15Å; C264-K266 PolarHBondContact O-NZ 2.97Å
265	P	85.9	Confident	78.4	Confident	79 Å²	79	55.1 Å²	55.1	51%	0.513	30%	0.297	S	S	.	.			trans	-52	132	161.5	-22.1	31.2	0	0	0	110.5	R253	R253-P265 HydrophobicContact CB-CB 4.42Å; R253-P265 PolarHBondContact N-O 3.34Å; R253-P265 WeakPolarHBondContact O-CD 3.22Å
266	K	86.4	Confident	79	Confident	59 Å²	59	55.1 Å²	55.1	26%	0.257	29%	0.291	S	S	.	.			trans	-164.4	163.1	-177.5	61.3	-165.9	169.2	-73.9	0	111	L249 E251 V252 L261 E262 C264	L249-K266 HydrophobicContact CD1-CD 4.09Å; L249-K266 HydrophobicContact CD2-CD 3.72Å; L249-K266 HydrophobicContact CD2-CG 4.4Å; L249-K266 HydrophobicContact CG-CD 4.46Å; E251-K266 WeakPolarHBondContact O-CA 3.41Å; V252-K266 HydrophobicContact CG2-CB 4.12Å; L261-K266 PolarHBondContact O-NZ 2.97Å; L261-K266 VanDerWaalsContact O-NZ 3.1Å; E262-K266 PolarHBondContact O-NZ 3.24Å; C264-K266 PolarHBondContact O-N 3.15Å; C264-K266 PolarHBondContact O-NZ 2.97Å
267	S	83.8	Confident	79.6	Confident	29 Å²	29	57.6 Å²	57.6	20%	0.203	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63.7	164.9	172.6	-63.1	0	0	0	0	112.7	D250	D250-S267 WeakPolarHBondContact O-CB 3.38Å; D250-S267 PolarHBondContact O-N 2.56Å; D250-S267 PolarHBondContact O-OG 3.09Å
268	A	82.8	Confident	80.7	Confident	57 Å²	57	56.5 Å²	56.5	47%	0.471	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-64.1	150.3	176.3	0	0	0	0	0	111.3	G270 E271	A268-G270 PolarHBondContact O-N 3.13Å; A268-G270 VanDerWaalsContact O-N 3.14Å; A268-E271 HydrophobicContact CB-CB 4.29Å; A268-E271 WeakPolarHBondContact CB-OE2 3.46Å; A268-E271 WeakPolarHBondContact O-CB 3.34Å; A268-E271 PolarHBondContact O-N 2.91Å
269	W	81.7	Confident	81.2	Confident	87 Å²	87	55.5 Å²	55.5	33%	0.33	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	120.5	-176.4	-70.3	97.9	0	0	0	112.3	V200 H202 W248 L249 E271	V200-W269 HydrophobicContact CG1-CZ3 4.16Å; V200-W269 HydrophobicContact CG2-CH2 4.07Å; V200-W269 HydrophobicContact CG2-CZ3 4.12Å; H202-W269 HydrophobicContact CB-CE3 3.78Å; H202-W269 HydrophobicContact CB-CH2 4.17Å; H202-W269 HydrophobicContact CB-CZ3 3.55Å; H202-W269 AromaticContact CD2-CD2 3.87Å; H202-W269 AromaticContact CD2-CE3 3.75Å; H202-W269 AromaticContact CE1-CD1 3.82Å; H202-W269 AromaticContact CE1-CD2 3.44Å; H202-W269 VanDerWaalsContact CE1-CD2 3.44Å; H202-W269 AromaticContact CE1-CE2 3.48Å; H202-W269 VanDerWaalsContact CE1-CE2 3.48Å; H202-W269 AromaticContact CE1-CE3 3.93Å; H202-W269 AromaticContact CE1-CG 3.67Å; H202-W269 AromaticContact CE1-CZ2 3.98Å; H202-W269 AromaticContact CE1-NE1 3.71Å; H202-W269 AromaticContact CG-CD2 3.75Å; H202-W269 AromaticContact CG-CE3 3.39Å; H202-W269 AromaticContact CG-CZ3 3.57Å; H202-W269 AromaticContact ND1-CD2 3.48Å; H202-W269 AromaticContact ND1-CE2 3.49Å; H202-W269 AromaticContact ND1-CE3 3.53Å; H202-W269 AromaticContact ND1-CH2 3.6Å; H202-W269 AromaticContact ND1-CZ2 3.55Å; H202-W269 AromaticContact ND1-CZ3 3.6Å; H202-W269 AromaticContact NE2-CD2 3.73Å; H202-W269 AromaticContact NE2-CG 3.65Å; W248-W269 HydrophobicContact CB-CE3 4.13Å; W248-W269 HydrophobicContact CB-CZ3 4.22Å; L249-W269 HydrophobicContact CD1-CH2 4.26Å; L249-W269 HydrophobicContact CD1-CZ3 4.11Å; L249-W269 HydrophobicContact CD2-CD2 3.89Å; L249-W269 HydrophobicContact CD2-CE3 3.51Å; L249-W269 HydrophobicContact CD2-CH2 4.07Å; L249-W269 HydrophobicContact CD2-CZ2 4.39Å; L249-W269 HydrophobicContact CD2-CZ3 3.61Å; L249-W269 HydrophobicContact CG-CE3 4.1Å; L249-W269 HydrophobicContact CG-CH2 4.39Å; L249-W269 HydrophobicContact CG-CZ3 3.81Å; W269-E271 VanDerWaalsContact C-N 3.27Å; W269-E271 PolarHBondContact O-N 2.7Å
270	G	79.8	Confident	82.5	Confident	15 Å²	15	50.6 Å²	50.6	16%	0.155	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.1	178.1	0	0	0	0	0	115.2	R246 W248 A268	R246-G270 PolarHBondContact NH1-O 3.47Å; W248-G270 PolarHBondContact O-N 3.49Å; A268-G270 PolarHBondContact O-N 3.13Å; A268-G270 VanDerWaalsContact O-N 3.14Å
271	E	85.3	Confident	83.2	Confident	129 Å²	129	50.3 Å²	50.3	60%	0.603	27%	0.273	S	S	*	.			trans	-90.4	109.9	167.4	-172.1	175.9	-171.2	0	0	108.5	A268 W269	A268-E271 HydrophobicContact CB-CB 4.29Å; A268-E271 WeakPolarHBondContact CB-OE2 3.46Å; A268-E271 WeakPolarHBondContact O-CB 3.34Å; A268-E271 PolarHBondContact O-N 2.91Å; W269-E271 VanDerWaalsContact C-N 3.27Å; W269-E271 PolarHBondContact O-N 2.7Å
272	H	85.1	Confident	83.7	Confident	65 Å²	65	50.1 Å²	50.1	30%	0.301	27%	0.272	S	S	.	.			trans	-157.3	155.3	-180	69.2	92.2	0	0	0	110.1	V247 D250 C274	V247-H272 HydrophobicContact CG1-CB 4.45Å; V247-H272 PolarHBondContact O-CD2 2.86Å; V247-H272 VanDerWaalsContact O-CD2 3.3Å; D250-H272 HydrophobicContact CB-CB 3.76Å; D250-H272 WeakPolarHBondContact OD2-CA 3.21Å; D250-H272 WeakPolarHBondContact OD2-CB 2.91Å; H272-C274 PolarHBondContact CE1-O 2.82Å; H272-C274 PolarHBondContact ND1-N 3.38Å; H272-C274 PolarHBondContact ND1-O 3.31Å; H272-C274 VanDerWaalsContact ND1-O 3.12Å
273	N	83.7	Confident	84	Confident	129 Å²	129	49.1 Å²	49.1	69%	0.69	27%	0.27	S	S	*	.			trans	-106.9	-2.2	170.1	67.9	15.7	0	0	0	112.5	D250	D250-N273 PolarHBondContact OD2-N 3.45Å
274	C	82.4	Confident	84.3	Confident	15 Å²	15	45.8 Å²	45.8	10%	0.101	26%	0.256	C	S	.	.			trans	-76	142.2	-171.4	-52.7	0	0	0	0	113.8	C210 H272	C210-C274 HydrophobicContact CB-CB 3.67Å; C210-C274 WeakPolarHBondContact CB-SG 2.97Å; C210-C274 WeakPolarHBondContact SG-CB 3.38Å; C210-C274 CovalentContact SG-SG 2Å; C210-C274 PolarHBondContact SG-SG 2.82Å; H272-C274 PolarHBondContact CE1-O 2.82Å; H272-C274 PolarHBondContact ND1-N 3.38Å; H272-C274 PolarHBondContact ND1-O 3.31Å; H272-C274 VanDerWaalsContact ND1-O 3.12Å
275	L	83.9	Confident	83.6	Confident	132 Å²	132	48.1 Å²	48.1	69%	0.691	27%	0.272	S	S	*	.			trans	-85.1	159.7	164.2	-66	170.3	0	0	0	109.4	S277 G278	L275-S277 PolarHBondContact O-N 2.72Å; L275-G278 PolarHBondContact O-N 3.28Å
276	H	84.2	Confident	82.4	Confident	54 Å²	54	48.3 Å²	48.3	25%	0.25	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-62	-7.3	175.3	-70.5	-50.9	0	0	0	115	K242 G243 R245 G278 D279	K242-H276 HydrophobicContact CB-CB 4.04Å; K242-H276 WeakPolarHBondContact CB-O 3.35Å; K242-H276 VanDerWaalsContact CG-O 3.3Å; K242-H276 WeakPolarHBondContact CG-O 3.42Å; G243-H276 WeakPolarHBondContact O-CB 3.39Å; G243-H276 PolarHBondContact O-CD2 2.7Å; G243-H276 VanDerWaalsContact O-CG 3.24Å; R245-H276 PolarHBondContact O-CE1 2.84Å; R245-H276 PolarHBondContact O-NE2 3.29Å; R245-H276 VanDerWaalsContact O-NE2 3.11Å; H276-G278 PolarHBondContact O-N 3.41Å; H276-D279 IonicContact CG-OD2 2.78Å; H276-D279 IonicContact ND1-OD1 3.04Å; H276-D279 PolarHBondContact ND1-OD1 3.02Å; H276-D279 VanDerWaalsContact ND1-OD1 3.11Å; H276-D279 IonicContact ND1-OD2 2.62Å; H276-D279 PolarHBondContact ND1-OD2 2.72Å; H276-D279 VanDerWaalsContact ND1-OD2 3.16Å
277	S	80.9	Confident	81.2	Confident	54 Å²	54	47.5 Å²	47.5	38%	0.378	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.2	-17	165.3	48.5	0	0	0	0	113.6	Q237 G238 L275	Q237-S277 CarbonylContact C-O 3.41Å; Q237-S277 WeakPolarHBondContact CA-O 3.25Å; G238-S277 PolarHBondContact N-O 2.63Å; L275-S277 PolarHBondContact O-N 2.72Å
278	G	82.6	Confident	80.5	Confident	8 Å²	8	50.5 Å²	50.5	8%	0.082	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-109.5	29.4	175.8	0	0	0	0	0	112.7	C210 D211 L275 H276 A280	C210-G278 CarbonylContact C-O 3.55Å; C210-G278 WeakPolarHBondContact CA-O 3.4Å; D211-G278 VanDerWaalsContact CG-O 3.23Å; D211-G278 PolarHBondContact N-O 3.25Å; D211-G278 VanDerWaalsContact OD1-CA 3.29Å; D211-G278 WeakPolarHBondContact OD1-CA 3.32Å; D211-G278 WeakPolarHBondContact OD2-CA 3.25Å; L275-G278 PolarHBondContact O-N 3.28Å; H276-G278 PolarHBondContact O-N 3.41Å; G278-A280 PolarHBondContact O-N 2.01Å
279	D	88.4	Confident	80	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-73.7	128.8	174.8	-72.8	-21.4	0	0	0	110.6	R197 S208 I209 G238 G243 H276	R197-D279 HydrophobicContact CG-CB 4.08Å; S208-D279 VanDerWaalsContact CB-CG 3.4Å; S208-D279 WeakPolarHBondContact CB-OD1 3.06Å; S208-D279 VanDerWaalsContact OG-CG 3.25Å; S208-D279 PolarHBondContact OG-OD1 2.84Å; S208-D279 PolarHBondContact OG-OD2 2.99Å; I209-D279 CarbonylContact O-C 3.44Å; I209-D279 WeakPolarHBondContact O-CA 3.32Å; G238-D279 WeakPolarHBondContact CA-O 3.34Å; G238-D279 PolarHBondContact N-O 3.05Å; G238-D279 VanDerWaalsContact N-O 3.15Å; G243-D279 WeakPolarHBondContact CA-OD2 3.47Å; G243-D279 PolarHBondContact N-OD2 3.45Å; H276-D279 IonicContact CG-OD2 2.78Å; H276-D279 IonicContact ND1-OD1 3.04Å; H276-D279 PolarHBondContact ND1-OD1 3.02Å; H276-D279 VanDerWaalsContact ND1-OD1 3.11Å; H276-D279 IonicContact ND1-OD2 2.62Å; H276-D279 PolarHBondContact ND1-OD2 2.72Å; H276-D279 VanDerWaalsContact ND1-OD2 3.16Å
280	A	90.6	Very high	79.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.			trans	-73.3	146.5	-179.7	0	0	0	0	0	113.2	R197 V198 I209 D211 W214 W235 G278	R197-A280 WeakPolarHBondContact CG-O 3.49Å; V198-A280 PolarHBondContact N-O 3.45Å; I209-A280 HydrophobicContact CB-CB 4.32Å; I209-A280 HydrophobicContact CG2-CB 4.39Å; I209-A280 WeakPolarHBondContact O-CB 3.32Å; I209-A280 PolarHBondContact O-N 3.09Å; D211-A280 HydrophobicContact CB-CB 4.39Å; W214-A280 HydrophobicContact CD2-CB 3.72Å; W214-A280 HydrophobicContact CE3-CB 4.28Å; W214-A280 HydrophobicContact CG-CB 3.79Å; W214-A280 HydrophobicContact CZ2-CB 4.37Å; W235-A280 CarbonylContact O-C 3.53Å; W235-A280 WeakPolarHBondContact O-CA 3.46Å; G278-A280 PolarHBondContact O-N 2.01Å
281	G	89.8	Confident	79.3	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.5	177.6	0	0	0	0	0	112.3	G196 W214 W235	G196-G281 CarbonylContact O-C 3.56Å; G196-G281 VanDerWaalsContact O-CA 3.24Å; G196-G281 WeakPolarHBondContact O-CA 3.28Å; W214-G281 PolarHBondContact NE1-O 3.14Å; W235-G281 PolarHBondContact N-O 3.14Å; W235-G281 PolarHBondContact O-N 3.47Å
282	V	89.2	Confident	79.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.3	175.5	-60.6	0	0	0	0	111.3	L187 E195 G196 V198 W214 A219 V222 R233	L187-V282 HydrophobicContact CD1-CG2 4.08Å; L187-V282 HydrophobicContact CD2-CG2 3.49Å; L187-V282 VanDerWaalsContact CD2-CG2 3.49Å; L187-V282 HydrophobicContact CG-CG2 4.45Å; E195-V282 VanDerWaalsContact CA-O 3.26Å; E195-V282 WeakPolarHBondContact CA-O 3.4Å; G196-V282 PolarHBondContact N-O 3.19Å; G196-V282 PolarHBondContact O-N 2.73Å; V198-V282 HydrophobicContact CG2-CB 4.22Å; V198-V282 HydrophobicContact CG2-CG1 3.62Å; V198-V282 HydrophobicContact CG2-CG2 3.81Å; W214-V282 HydrophobicContact CZ2-CG1 3.81Å; A219-V282 HydrophobicContact CB-CB 4.35Å; A219-V282 HydrophobicContact CB-CG1 3.7Å; V222-V282 HydrophobicContact CB-CG1 4.09Å; V222-V282 HydrophobicContact CG1-CB 4.5Å; V222-V282 HydrophobicContact CG1-CG1 4.04Å; V222-V282 HydrophobicContact CG1-CG2 3.78Å; R233-V282 VanDerWaalsContact O-CA 3.31Å; R233-V282 WeakPolarHBondContact O-CA 3.46Å
283	S	82.9	Confident	78.9	Confident	31 Å²	31	41.2 Å²	41.2	22%	0.217	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.6	164.8	-173	0	0	0	0	109	E195 R233	E195-S283 PolarHBondContact OE2-OG 3.33Å; R233-S283 PolarHBondContact N-O 2.79Å; R233-S283 VanDerWaalsContact N-O 3.09Å; R233-S283 PolarHBondContact O-N 3.31Å
284	C	79.9	Confident	78.8	Confident	11 Å²	11	35.6 Å²	35.6	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.9	-174.4	-41.9	0	0	0	0	110.4	S194 C223 L228	S194-C284 WeakPolarHBondContact CB-O 3.21Å; S194-C284 WeakPolarHBondContact O-CA 3.46Å; S194-C284 WeakPolarHBondContact O-CB 3.26Å; S194-C284 PolarHBondContact O-N 2.99Å; C223-C284 WeakPolarHBondContact CA-SG 3.44Å; C223-C284 HydrophobicContact CB-CB 3.71Å; C223-C284 WeakPolarHBondContact CB-SG 3.35Å; C223-C284 WeakPolarHBondContact SG-CB 3.45Å; C223-C284 CovalentContact SG-SG 2.03Å; C223-C284 PolarHBondContact SG-SG 2.83Å; L228-C284 HydrophobicContact CB-CB 3.57Å; L228-C284 HydrophobicContact CD1-CB 3.81Å; L228-C284 HydrophobicContact CG-CB 4.28Å
285	S	65.6	Low	78.6	Confident	54 Å²	54	35.8 Å²	35.8	38%	0.378	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.7	169.1	-53.7	0	0	0	0	111.2	S229	S229-S285 CarbonylContact C-O 3.22Å; S229-S285 PolarHBondContact N-O 2.99Å; S229-S285 CarbonylContact O-C 3.47Å; S229-S285 WeakPolarHBondContact O-CA 3.38Å; S229-S285 WeakPolarHBondContact O-CB 3.41Å; S229-S285 PolarHBondContact O-N 2.96Å
286	P	61.8	Low	77.9	Confident	83 Å²	83	32.4 Å²	32.4	54%	0.539	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.2	173.9	26.7	-31.8	0	0	0	111.4	T288	P286-T288 PolarHBondContact O-N 3.08Å
287	L	61.5	Low	77.3	Confident	42 Å²	42	30.4 Å²	30.4	22%	0.22	20%	0.202	C	C	.	.			trans	-62.5	120.3	174.4	-85.2	164	0	0	0	110.4	G227 S229 T291 F308 W313	G227-L287 WeakPolarHBondContact O-CD1 3.32Å; S229-L287 VanDerWaalsContact CB-CD2 3.43Å; S229-L287 WeakPolarHBondContact OG-CD2 3.38Å; L287-T291 HydrophobicContact CD2-CG2 4.16Å; L287-F308 HydrophobicContact CB-CD1 4.16Å; L287-F308 HydrophobicContact CB-CE1 3.75Å; L287-F308 HydrophobicContact CB-CZ 3.96Å; L287-F308 HydrophobicContact CD1-CD2 4.42Å; L287-F308 HydrophobicContact CD1-CE2 3.95Å; L287-F308 HydrophobicContact CD1-CZ 3.99Å; L287-F308 HydrophobicContact CD2-CB 4.35Å; L287-F308 HydrophobicContact CD2-CD1 4.16Å; L287-F308 HydrophobicContact CD2-CD2 4.09Å; L287-F308 HydrophobicContact CD2-CE1 4.43Å; L287-F308 HydrophobicContact CD2-CE2 4.36Å; L287-F308 HydrophobicContact CD2-CG 3.95Å; L287-F308 HydrophobicContact CD2-CZ 4.49Å; L287-F308 HydrophobicContact CG-CE1 4.5Å; L287-F308 HydrophobicContact CG-CZ 4.39Å; L287-W313 HydrophobicContact CD2-CH2 4.39Å; L287-W313 HydrophobicContact CD2-CZ2 3.74Å
288	T	67.4	Low	76.4	Confident	91 Å²	91	32.1 Å²	32.1	56%	0.558	22%	0.219	S	C	*	.			trans	-112.9	152.6	170.9	57.8	0	0	0	0	110.5	P286 G290 T291	P286-T288 PolarHBondContact O-N 3.08Å; T288-G290 PolarHBondContact O-N 2.87Å; T288-T291 PolarHBondContact N-OG1 2.84Å; T288-T291 WeakPolarHBondContact O-CB 3.42Å; T288-T291 PolarHBondContact O-N 2.85Å; T288-T291 VanDerWaalsContact O-N 3.14Å; T288-T291 PolarHBondContact O-OG1 3.21Å
289	D	73.6	Confident	75.4	Confident	66 Å²	66	32.1 Å²	32.1	35%	0.353	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	135.8	171.2	-66.7	-21.5	0	0	0	109.7	F308 Y309 H310 L369	D289-F308 CarbonylContact C-O 3.43Å; D289-F308 WeakPolarHBondContact CA-O 3.31Å; D289-Y309 HydrophobicContact CB-CD2 4.11Å; D289-Y309 WeakPolarHBondContact OD1-CA 3.19Å; D289-H310 PolarHBondContact OD1-N 3.46Å; D289-H310 IonicContact OD2-CD2 3.73Å; D289-H310 IonicContact OD2-NE2 3.97Å; D289-L369 WeakPolarHBondContact O-CD1 3.28Å
290	G	69.9	Low	74.2	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-0.6	-175.8	0	0	0	0	0	117.1	T288 F308 Q332 L369	T288-G290 PolarHBondContact O-N 2.87Å; G290-F308 PolarHBondContact N-O 3.04Å; G290-Q332 PolarHBondContact O-NE2 3.27Å; G290-L369 VanDerWaalsContact CA-CD1 3.44Å
291	T	77.4	Confident	73.2	Confident	21 Å²	21	35.6 Å²	35.6	13%	0.129	24%	0.238	C	C	.	.			trans	-65.4	136.1	171.8	-56.1	0	0	0	0	109.4	L287 T288 I307 F308 W313	L287-T291 HydrophobicContact CD2-CG2 4.16Å; T288-T291 PolarHBondContact N-OG1 2.84Å; T288-T291 WeakPolarHBondContact O-CB 3.42Å; T288-T291 PolarHBondContact O-N 2.85Å; T288-T291 VanDerWaalsContact O-N 3.14Å; T288-T291 PolarHBondContact O-OG1 3.21Å; T291-I307 CarbonylContact O-C 3.56Å; T291-I307 WeakPolarHBondContact O-CA 3.43Å; T291-I307 WeakPolarHBondContact O-CG1 3.48Å; T291-F308 PolarHBondContact O-N 3.22Å; T291-W313 HydrophobicContact CG2-CH2 4.02Å; T291-W313 WeakPolarHBondContact O-CZ3 3.46Å
292	V	82.5	Confident	72.7	Confident	10 Å²	10	37.7 Å²	37.7	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.3	-179.2	-64.1	0	0	0	0	111.3	L305 E306 I307 V329 Q332 L333 L368	V292-L305 HydrophobicContact CB-CD1 3.93Å; V292-L305 HydrophobicContact CG1-CD1 4.19Å; V292-E306 CarbonylContact C-O 3.56Å; V292-E306 VanDerWaalsContact CA-O 3.28Å; V292-E306 WeakPolarHBondContact CA-O 3.43Å; V292-I307 HydrophobicContact CG1-CB 4.35Å; V292-I307 HydrophobicContact CG1-CD1 4.32Å; V292-I307 HydrophobicContact CG1-CG1 4.02Å; V292-V329 HydrophobicContact CG2-CG1 4.36Å; V292-Q332 HydrophobicContact CG2-CB 4.3Å; V292-Q332 HydrophobicContact CG2-CG 3.89Å; V292-L333 HydrophobicContact CG2-CD2 3.86Å; V292-L333 HydrophobicContact CG2-CG 3.91Å; V292-L333 WeakPolarHBondContact O-CD2 3.35Å; V292-L368 HydrophobicContact CG1-CB 4.37Å; V292-L368 HydrophobicContact CG1-CD2 4.28Å
293	R	77.7	Confident	72.3	Confident	59 Å²	59	37.7 Å²	37.7	22%	0.223	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161	171.7	73.9	-178.3	-178.3	-173.6	1.7	111.4	E306 W313	R293-E306 HydrophobicContact CG-CB 3.88Å; R293-E306 IonicContact CZ-OE2 3.72Å; R293-E306 PolarHBondContact N-O 3.06Å; R293-E306 IonicContact NE-OE2 3.82Å; R293-E306 PolarHBondContact NE-OE2 3.23Å; R293-E306 IonicContact NH2-OE2 3.9Å; R293-E306 PolarHBondContact NH2-OE2 2.55Å; R293-E306 PolarHBondContact O-N 3.33Å; R293-W313 HydrophobicContact CB-CH2 3.79Å; R293-W313 HydrophobicContact CB-CZ3 3.86Å; R293-W313 HydrophobicContact CG-CD2 4.35Å; R293-W313 HydrophobicContact CG-CE3 3.77Å; R293-W313 HydrophobicContact CG-CH2 3.76Å; R293-W313 HydrophobicContact CG-CZ2 4.34Å; R293-W313 HydrophobicContact CG-CZ3 3.46Å; R293-W313 VanDerWaalsContact CG-CZ3 3.46Å; R293-W313 VanDerWaalsContact CZ-CG 3.4Å
294	L	82.4	Confident	72.5	Confident	10 Å²	10	37.4 Å²	37.4	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.5	171	-58.3	-179.9	0	0	0	109.8	R304 L305 L333 I389	L294-R304 CarbonylContact C-O 3.54Å; L294-R304 WeakPolarHBondContact CA-O 3.41Å; L294-L305 HydrophobicContact CD2-CB 4.48Å; L294-L305 HydrophobicContact CD2-CD1 4.3Å; L294-L333 HydrophobicContact CD1-CD1 3.83Å; L294-L333 HydrophobicContact CD2-CD1 4.13Å; L294-L333 HydrophobicContact CG-CD1 3.66Å; L294-I389 HydrophobicContact CD2-CB 4.04Å
295	A	77.7	Confident	73	Confident	20 Å²	20	36.9 Å²	36.9	17%	0.165	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147	-177.5	0	0	0	0	0	112	G297 G303 R304	A295-G297 VanDerWaalsContact C-N 3.34Å; A295-G297 PolarHBondContact O-N 2.89Å; A295-G303 CarbonylContact O-C 3.58Å; A295-G303 WeakPolarHBondContact O-CA 3.33Å; A295-R304 PolarHBondContact N-O 2.89Å; A295-R304 PolarHBondContact O-N 2.79Å
296	G	70.1	Confident	74.1	Confident	60 Å²	60	34.8 Å²	34.8	62%	0.619	22%	0.222	S	C	*	.	S	Bend	trans	79.8	2.7	172.1	0	0	0	0	0	116.7	F347	G296-F347 WeakPolarHBondContact O-CD1 3.45Å
297	G	70.6	Confident	75.3	Confident	13 Å²	13	30.8 Å²	30.8	13%	0.134	20%	0.197	C	C	.	.	S	Bend	trans	-90.5	165.8	173.8	0	0	0	0	0	114.3	N257 A295 G299 Q302	N257-G297 PolarHBondContact ND2-O 3.4Å; A295-G297 VanDerWaalsContact C-N 3.34Å; A295-G297 PolarHBondContact O-N 2.89Å; G297-G299 VanDerWaalsContact C-N 3.25Å; G297-G299 PolarHBondContact O-N 2.77Å; G297-Q302 WeakPolarHBondContact CA-O 3.45Å
298	A	63.2	Low	76.1	Confident	89 Å²	89	29.8 Å²	29.8	74%	0.736	19%	0.19	S	C	*	.	S	Bend	trans	-76	-6	-179.3	0	0	0	0	0	114.5
299	G	61.5	Low	76.6	Confident	9 Å²	9	27.6 Å²	27.6	9%	0.093	17%	0.172	C	C	.	.	S	Bend	trans	-164.2	165.8	177.2	0	0	0	0	0	111.8	N257 G297 H301 Q302	N257-G299 VanDerWaalsContact ND2-CA 3.32Å; N257-G299 WeakPolarHBondContact ND2-CA 3.41Å; N257-G299 PolarHBondContact ND2-N 3.5Å; N257-G299 VanDerWaalsContact ND2-N 3.19Å; N257-G299 PolarHBondContact ND2-O 3.02Å; G297-G299 VanDerWaalsContact C-N 3.25Å; G297-G299 PolarHBondContact O-N 2.77Å; G299-H301 PolarHBondContact O-N 3.08Å; G299-Q302 PolarHBondContact O-N 3.04Å; G299-Q302 VanDerWaalsContact O-N 3.16Å; G299-Q302 VanDerWaalsContact O-O 3.12Å
300	S	63.9	Low	76.5	Confident	26 Å²	26	30.6 Å²	30.6	18%	0.182	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.3	-168.5	66.2	0	0	0	0	116.4	N257 Y335	N257-S300 VanDerWaalsContact OD1-CA 3.24Å; N257-S300 WeakPolarHBondContact OD1-CA 3.27Å; N257-S300 PolarHBondContact OD1-N 3.32Å; S300-Y335 WeakPolarHBondContact CB-OH 3.14Å; S300-Y335 WeakPolarHBondContact O-CE2 3.4Å; S300-Y335 PolarHBondContact OG-OH 2.8Å
301	H	68.9	Low	76.2	Confident	47 Å²	47	33.5 Å²	33.5	22%	0.218	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	1.1	-179	57.5	-83.1	0	0	0	113	G299 Y335 C391	G299-H301 PolarHBondContact O-N 3.08Å; H301-Y335 HydrophobicContact CB-CD1 4.08Å; H301-Y335 HydrophobicContact CB-CD2 4.38Å; H301-Y335 HydrophobicContact CB-CE1 3.97Å; H301-Y335 HydrophobicContact CB-CE2 4.25Å; H301-Y335 HydrophobicContact CB-CG 4.32Å; H301-C391 HydrophobicContact CB-CB 4.34Å; H301-C391 PolarHBondContact CD2-O 3.46Å; H301-C391 WeakPolarHBondContact O-CB 3.14Å; H301-C391 PolarHBondContact O-N 2.91Å
302	Q	79.8	Confident	75.9	Confident	47 Å²	47	36.5 Å²	36.5	22%	0.22	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.2	178.1	59.7	179	2.4	0	0	112.3	G297 G299 F347 I389 A390	G297-Q302 WeakPolarHBondContact CA-O 3.45Å; G299-Q302 PolarHBondContact O-N 3.04Å; G299-Q302 VanDerWaalsContact O-N 3.16Å; G299-Q302 VanDerWaalsContact O-O 3.12Å; Q302-F347 HydrophobicContact CB-CE2 4.42Å; Q302-F347 HydrophobicContact CB-CZ 4.05Å; Q302-F347 HydrophobicContact CG-CE1 4.46Å; Q302-F347 HydrophobicContact CG-CZ 4.18Å; Q302-I389 CarbonylContact C-O 3.53Å; Q302-I389 VanDerWaalsContact CA-O 3.31Å; Q302-I389 WeakPolarHBondContact CA-O 3.3Å; Q302-A390 HydrophobicContact CB-CB 3.9Å
303	G	80.4	Confident	75.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159	-177.9	178.1	0	0	0	0	0	113.7	A295 F347 I389	A295-G303 CarbonylContact O-C 3.58Å; A295-G303 WeakPolarHBondContact O-CA 3.33Å; G303-F347 VanDerWaalsContact CA-CD2 3.49Å; G303-I389 PolarHBondContact N-O 3.11Å; G303-I389 PolarHBondContact O-N 2.85Å; G303-I389 VanDerWaalsContact O-O 3.1Å
304	R	86.9	Confident	76.2	Confident	25 Å²	25	36.1 Å²	36.1	9%	0.094	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.6	168.9	-178.8	-179.2	60.3	-98.7	-4.1	110	L294 A295 E306 F347 G348 D386 V387	L294-R304 CarbonylContact C-O 3.54Å; L294-R304 WeakPolarHBondContact CA-O 3.41Å; A295-R304 PolarHBondContact N-O 2.89Å; A295-R304 PolarHBondContact O-N 2.79Å; R304-E306 IonicContact CZ-OE1 2.67Å; R304-E306 IonicContact NE-OE1 3.74Å; R304-E306 PolarHBondContact NE-OE1 2.75Å; R304-E306 IonicContact NH2-OE1 2.71Å; R304-E306 PolarHBondContact NH2-OE1 3.04Å; R304-F347 PolarHBondContact NH1-O 3.46Å; R304-G348 PolarHBondContact NH1-O 2.88Å; R304-D386 HydrophobicContact CG-CB 4.13Å; R304-V387 WeakPolarHBondContact CA-O 2.99Å
305	L	89.1	Confident	76.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.9	178.6	178.4	61.2	0	0	0	110.9	V292 L294 V316 W321 V329 L368 V387 I389	V292-L305 HydrophobicContact CB-CD1 3.93Å; V292-L305 HydrophobicContact CG1-CD1 4.19Å; L294-L305 HydrophobicContact CD2-CB 4.48Å; L294-L305 HydrophobicContact CD2-CD1 4.3Å; L305-V316 HydrophobicContact CD2-CB 4.03Å; L305-V316 HydrophobicContact CD2-CG1 4.39Å; L305-V316 HydrophobicContact CD2-CG2 3.9Å; L305-V316 HydrophobicContact CG-CB 4.39Å; L305-V316 HydrophobicContact CG-CG2 4.01Å; L305-W321 HydrophobicContact CD2-CH2 3.36Å; L305-W321 HydrophobicContact CD2-CZ2 3.84Å; L305-W321 HydrophobicContact CD2-CZ3 4.11Å; L305-V329 HydrophobicContact CD1-CG1 3.72Å; L305-V329 HydrophobicContact CD1-CG2 4.45Å; L305-V329 HydrophobicContact CD2-CG2 4.04Å; L305-L368 HydrophobicContact CD2-CD2 4Å; L305-V387 HydrophobicContact CB-CB 4.16Å; L305-V387 HydrophobicContact CB-CG1 3.94Å; L305-V387 HydrophobicContact CD2-CB 4.47Å; L305-V387 HydrophobicContact CD2-CG1 4.05Å; L305-V387 PolarHBondContact N-O 2.8Å; L305-I389 HydrophobicContact CB-CD1 3.97Å; L305-I389 HydrophobicContact CD1-CD1 4.32Å; L305-I389 HydrophobicContact CD2-CD1 3.75Å; L305-I389 HydrophobicContact CG-CD1 4.22Å
306	E	89.1	Confident	77.3	Confident	9 Å²	9	34.7 Å²	34.7	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.8	170.5	-67.7	176.4	-175.1	0	0	110	V292 R293 R304 W313 G314 T315	V292-E306 CarbonylContact C-O 3.56Å; V292-E306 VanDerWaalsContact CA-O 3.28Å; V292-E306 WeakPolarHBondContact CA-O 3.43Å; R293-E306 HydrophobicContact CG-CB 3.88Å; R293-E306 IonicContact CZ-OE2 3.72Å; R293-E306 PolarHBondContact N-O 3.06Å; R293-E306 IonicContact NE-OE2 3.82Å; R293-E306 PolarHBondContact NE-OE2 3.23Å; R293-E306 IonicContact NH2-OE2 3.9Å; R293-E306 PolarHBondContact NH2-OE2 2.55Å; R293-E306 PolarHBondContact O-N 3.33Å; R304-E306 IonicContact CZ-OE1 2.67Å; R304-E306 IonicContact NE-OE1 3.74Å; R304-E306 PolarHBondContact NE-OE1 2.75Å; R304-E306 IonicContact NH2-OE1 2.71Å; R304-E306 PolarHBondContact NH2-OE1 3.04Å; E306-W313 HydrophobicContact CB-CE3 4Å; E306-W313 WeakPolarHBondContact O-CZ3 3.25Å; E306-G314 CarbonylContact C-O 3.5Å; E306-G314 VanDerWaalsContact CA-O 3.22Å; E306-G314 WeakPolarHBondContact CA-O 3.23Å; E306-T315 HydrophobicContact CG-CG2 4.15Å
307	I	87.3	Confident	78.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.8	178.2	-165.3	172.1	0	0	0	110.4	T291 V292 W313 G314 V316 L355 L356 L368 L369 W376	T291-I307 CarbonylContact O-C 3.56Å; T291-I307 WeakPolarHBondContact O-CA 3.43Å; T291-I307 WeakPolarHBondContact O-CG1 3.48Å; V292-I307 HydrophobicContact CG1-CB 4.35Å; V292-I307 HydrophobicContact CG1-CD1 4.32Å; V292-I307 HydrophobicContact CG1-CG1 4.02Å; I307-W313 VanDerWaalsContact C-CE3 3.49Å; I307-G314 PolarHBondContact N-O 3.28Å; I307-G314 PolarHBondContact O-N 3.4Å; I307-V316 HydrophobicContact CB-CG2 4.22Å; I307-V316 HydrophobicContact CG2-CG2 3.89Å; I307-L355 HydrophobicContact CG2-CB 3.79Å; I307-L355 HydrophobicContact CG2-CD1 3.88Å; I307-L355 HydrophobicContact CG2-CG 4.49Å; I307-L355 WeakPolarHBondContact O-CD1 3.38Å; I307-L356 HydrophobicContact CD1-CD1 3.45Å; I307-L356 VanDerWaalsContact CD1-CD1 3.45Å; I307-L356 HydrophobicContact CD1-CG 4.39Å; I307-L356 HydrophobicContact CG2-CD1 4.31Å; I307-L356 HydrophobicContact CG2-CG 4.32Å; I307-L368 HydrophobicContact CD1-CD2 4.32Å; I307-L369 HydrophobicContact CD1-CD2 4.29Å; I307-W376 HydrophobicContact CD1-CH2 3.91Å; I307-W376 HydrophobicContact CD1-CZ3 4.14Å; I307-W376 HydrophobicContact CG2-CZ3 4.27Å
308	F	78.3	Confident	79	Confident	20 Å²	20	34.7 Å²	34.7	9%	0.088	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.7	179.2	-172.5	-101.1	0	0	0	111	L287 D289 G290 T291 G311 Q312 W313	L287-F308 HydrophobicContact CB-CD1 4.16Å; L287-F308 HydrophobicContact CB-CE1 3.75Å; L287-F308 HydrophobicContact CB-CZ 3.96Å; L287-F308 HydrophobicContact CD1-CD2 4.42Å; L287-F308 HydrophobicContact CD1-CE2 3.95Å; L287-F308 HydrophobicContact CD1-CZ 3.99Å; L287-F308 HydrophobicContact CD2-CB 4.35Å; L287-F308 HydrophobicContact CD2-CD1 4.16Å; L287-F308 HydrophobicContact CD2-CD2 4.09Å; L287-F308 HydrophobicContact CD2-CE1 4.43Å; L287-F308 HydrophobicContact CD2-CE2 4.36Å; L287-F308 HydrophobicContact CD2-CG 3.95Å; L287-F308 HydrophobicContact CD2-CZ 4.49Å; L287-F308 HydrophobicContact CG-CE1 4.5Å; L287-F308 HydrophobicContact CG-CZ 4.39Å; D289-F308 CarbonylContact C-O 3.43Å; D289-F308 WeakPolarHBondContact CA-O 3.31Å; G290-F308 PolarHBondContact N-O 3.04Å; T291-F308 PolarHBondContact O-N 3.22Å; F308-G311 VanDerWaalsContact CE2-C 3.46Å; F308-Q312 WeakPolarHBondContact CA-O 3.42Å; F308-Q312 WeakPolarHBondContact CD2-O 3.47Å; F308-W313 HydrophobicContact CB-CD2 4.18Å; F308-W313 HydrophobicContact CB-CE3 4Å; F308-W313 HydrophobicContact CB-CH2 4.05Å; F308-W313 HydrophobicContact CB-CZ2 4.22Å; F308-W313 HydrophobicContact CB-CZ3 3.92Å; F308-W313 AromaticContact CD2-CD1 4Å; F308-W313 HydrophobicContact CD2-CD2 4.04Å; F308-W313 AromaticContact CD2-CE2 3.84Å; F308-W313 HydrophobicContact CD2-CG 4.18Å; F308-W313 HydrophobicContact CD2-CZ2 4.36Å; F308-W313 AromaticContact CD2-NE1 3.78Å
309	Y	78.7	Confident	80	Confident	45 Å²	45	33 Å²	33	18%	0.176	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	125.3	177.2	-175.9	-114.6	0	0	0	110.3	D289 G311 Q312 L355 W376	D289-Y309 HydrophobicContact CB-CD2 4.11Å; D289-Y309 WeakPolarHBondContact OD1-CA 3.19Å; Y309-G311 PolarHBondContact O-N 3.49Å; Y309-Q312 PolarHBondContact N-O 3.12Å; Y309-Q312 WeakPolarHBondContact O-CG 3.28Å; Y309-Q312 PolarHBondContact O-N 3.31Å; Y309-L355 HydrophobicContact CD1-CD2 4.29Å; Y309-W376 HydrophobicContact CD1-CB 4.15Å; Y309-W376 AromaticContact CD1-CD2 3.95Å; Y309-W376 HydrophobicContact CD1-CD2 3.95Å; Y309-W376 AromaticContact CD1-CE3 3.93Å; Y309-W376 HydrophobicContact CD1-CE3 3.93Å; Y309-W376 HydrophobicContact CD1-CG 4.09Å; Y309-W376 AromaticContact CD2-CD2 3.59Å; Y309-W376 HydrophobicContact CD2-CD2 3.59Å; Y309-W376 AromaticContact CD2-CE2 3.38Å; Y309-W376 AromaticContact CD2-CE3 3.85Å; Y309-W376 HydrophobicContact CD2-CE3 3.85Å; Y309-W376 HydrophobicContact CD2-CG 4.17Å; Y309-W376 AromaticContact CD2-CH2 3.72Å; Y309-W376 HydrophobicContact CD2-CH2 3.72Å; Y309-W376 AromaticContact CD2-CZ2 3.44Å; Y309-W376 HydrophobicContact CD2-CZ2 3.44Å; Y309-W376 VanDerWaalsContact CD2-CZ2 3.44Å; Y309-W376 AromaticContact CD2-CZ3 3.93Å; Y309-W376 HydrophobicContact CD2-CZ3 3.93Å; Y309-W376 AromaticContact CD2-NE1 3.87Å; Y309-W376 HydrophobicContact CE1-CB 3.56Å; Y309-W376 AromaticContact CE1-CD2 3.91Å; Y309-W376 HydrophobicContact CE1-CD2 3.91Å; Y309-W376 HydrophobicContact CE1-CE3 4.35Å; Y309-W376 AromaticContact CE1-CG 3.58Å; Y309-W376 HydrophobicContact CE1-CG 3.58Å; Y309-W376 AromaticContact CE2-CD1 3.51Å; Y309-W376 AromaticContact CE2-CD2 3.58Å; Y309-W376 HydrophobicContact CE2-CD2 3.58Å; Y309-W376 AromaticContact CE2-CE2 3.27Å; Y309-W376 HydrophobicContact CE2-CE3 4.3Å; Y309-W376 AromaticContact CE2-CG 3.7Å; Y309-W376 HydrophobicContact CE2-CG 3.7Å; Y309-W376 HydrophobicContact CE2-CH2 4.45Å; Y309-W376 AromaticContact CE2-CZ2 3.75Å; Y309-W376 HydrophobicContact CE2-CZ2 3.75Å; Y309-W376 AromaticContact CE2-NE1 3.23Å; Y309-W376 AromaticContact CG-CD2 3.8Å; Y309-W376 HydrophobicContact CG-CD2 3.8Å; Y309-W376 AromaticContact CG-CE3 3.67Å; Y309-W376 HydrophobicContact CG-CE3 3.67Å; Y309-W376 HydrophobicContact CG-CG 4.36Å; Y309-W376 HydrophobicContact CG-CH2 4.1Å; Y309-W376 HydrophobicContact CG-CZ2 4.21Å; Y309-W376 AromaticContact CG-CZ3 3.84Å; Y309-W376 HydrophobicContact CG-CZ3 3.84Å; Y309-W376 AromaticContact CZ-CD1 3.32Å; Y309-W376 AromaticContact CZ-CD2 3.74Å; Y309-W376 AromaticContact CZ-CE2 3.87Å; Y309-W376 AromaticContact CZ-CG 3.37Å; Y309-W376 AromaticContact CZ-NE1 3.61Å
310	H	72.1	Confident	80.8	Confident	130 Å²	130	35.2 Å²	35.2	60%	0.602	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	44.8	177.9	-75	-100.5	0	0	0	115.1	D289	D289-H310 PolarHBondContact OD1-N 3.46Å; D289-H310 IonicContact OD2-CD2 3.73Å; D289-H310 IonicContact OD2-NE2 3.97Å
311	G	62.4	Low	82	Confident	63 Å²	63	36.2 Å²	36.2	65%	0.649	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-0.5	173.4	0	0	0	0	0	115.1	F308 Y309	F308-G311 VanDerWaalsContact CE2-C 3.46Å; Y309-G311 PolarHBondContact O-N 3.49Å
312	Q	71.8	Confident	82.7	Confident	85 Å²	85	37.1 Å²	37.1	40%	0.397	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.1	-179.1	55.6	-178.3	-3.8	0	0	111.7	F308 Y309	F308-Q312 WeakPolarHBondContact CA-O 3.42Å; F308-Q312 WeakPolarHBondContact CD2-O 3.47Å; Y309-Q312 PolarHBondContact N-O 3.12Å; Y309-Q312 WeakPolarHBondContact O-CG 3.28Å; Y309-Q312 PolarHBondContact O-N 3.31Å
313	W	79.2	Confident	82.7	Confident	59 Å²	59	41.3 Å²	41.3	22%	0.223	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.2	169.3	-72.6	96.9	0	0	0	109.6	L287 T291 R293 E306 I307 F308	L287-W313 HydrophobicContact CD2-CH2 4.39Å; L287-W313 HydrophobicContact CD2-CZ2 3.74Å; T291-W313 HydrophobicContact CG2-CH2 4.02Å; T291-W313 WeakPolarHBondContact O-CZ3 3.46Å; R293-W313 HydrophobicContact CB-CH2 3.79Å; R293-W313 HydrophobicContact CB-CZ3 3.86Å; R293-W313 HydrophobicContact CG-CD2 4.35Å; R293-W313 HydrophobicContact CG-CE3 3.77Å; R293-W313 HydrophobicContact CG-CH2 3.76Å; R293-W313 HydrophobicContact CG-CZ2 4.34Å; R293-W313 HydrophobicContact CG-CZ3 3.46Å; R293-W313 VanDerWaalsContact CG-CZ3 3.46Å; R293-W313 VanDerWaalsContact CZ-CG 3.4Å; E306-W313 HydrophobicContact CB-CE3 4Å; E306-W313 WeakPolarHBondContact O-CZ3 3.25Å; I307-W313 VanDerWaalsContact C-CE3 3.49Å; F308-W313 HydrophobicContact CB-CD2 4.18Å; F308-W313 HydrophobicContact CB-CE3 4Å; F308-W313 HydrophobicContact CB-CH2 4.05Å; F308-W313 HydrophobicContact CB-CZ2 4.22Å; F308-W313 HydrophobicContact CB-CZ3 3.92Å; F308-W313 AromaticContact CD2-CD1 4Å; F308-W313 HydrophobicContact CD2-CD2 4.04Å; F308-W313 AromaticContact CD2-CE2 3.84Å; F308-W313 HydrophobicContact CD2-CG 4.18Å; F308-W313 HydrophobicContact CD2-CZ2 4.36Å; F308-W313 AromaticContact CD2-NE1 3.78Å
314	G	86.8	Confident	82.8	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	169.9	174.4	0	0	0	0	0	111.9	E306 I307 P353 L355	E306-G314 CarbonylContact C-O 3.5Å; E306-G314 VanDerWaalsContact CA-O 3.22Å; E306-G314 WeakPolarHBondContact CA-O 3.23Å; I307-G314 PolarHBondContact N-O 3.28Å; I307-G314 PolarHBondContact O-N 3.4Å; G314-P353 CarbonylContact C-O 3.55Å; G314-P353 WeakPolarHBondContact CA-O 3.14Å; G314-L355 VanDerWaalsContact CA-CD1 3.45Å; G314-L355 VanDerWaalsContact N-CD1 3.28Å
315	T	90.8	Very high	82.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	170.2	-170.4	59.8	0	0	0	0	112.4	E306 P353 I354 L355 H383 D386	E306-T315 HydrophobicContact CG-CG2 4.15Å; T315-P353 PolarHBondContact N-O 2.9Å; T315-I354 WeakPolarHBondContact OG1-CG1 3.43Å; T315-L355 PolarHBondContact O-N 2.88Å; T315-H383 PolarHBondContact OG1-ND1 2.02Å; T315-D386 WeakPolarHBondContact CB-OD1 3.42Å; T315-D386 PolarHBondContact OG1-OD1 2.93Å
316	V	92.2	Very high	82.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.5	178.3	-176.6	0	0	0	0	108	L305 I307 W321 L356 V359 L368 V387	L305-V316 HydrophobicContact CD2-CB 4.03Å; L305-V316 HydrophobicContact CD2-CG1 4.39Å; L305-V316 HydrophobicContact CD2-CG2 3.9Å; L305-V316 HydrophobicContact CG-CB 4.39Å; L305-V316 HydrophobicContact CG-CG2 4.01Å; I307-V316 HydrophobicContact CB-CG2 4.22Å; I307-V316 HydrophobicContact CG2-CG2 3.89Å; V316-W321 HydrophobicContact CG1-CE3 4.24Å; V316-W321 HydrophobicContact CG1-CH2 4.47Å; V316-W321 HydrophobicContact CG1-CZ3 3.67Å; V316-L356 HydrophobicContact CG1-CB 3.99Å; V316-L356 HydrophobicContact CG2-CB 4.25Å; V316-V359 HydrophobicContact CG1-CG2 3.97Å; V316-L368 HydrophobicContact CG2-CD2 4.4Å; V316-V387 HydrophobicContact CB-CG2 4.49Å; V316-V387 HydrophobicContact CG1-CG2 4.38Å; V316-V387 WeakPolarHBondContact O-CG2 3.14Å; V316-V387 PolarHBondContact O-N 3.46Å
317	C	90.5	Very high	82.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-72.7	145.3	178.4	-175.2	0	0	0	0	112.1	D319 I354 L356 D357 C381 E385 V387	C317-D319 VanDerWaalsContact C-N 3.35Å; C317-D319 PolarHBondContact SG-N 3.31Å; C317-I354 HydrophobicContact CB-CG2 4.36Å; C317-L356 PolarHBondContact N-O 2.9Å; C317-D357 HydrophobicContact CB-CB 4.22Å; C317-C381 HydrophobicContact CB-CB 3.69Å; C317-C381 WeakPolarHBondContact CB-SG 3.35Å; C317-C381 WeakPolarHBondContact SG-CB 3.16Å; C317-C381 CovalentContact SG-SG 2.01Å; C317-C381 PolarHBondContact SG-SG 3.25Å; C317-E385 CarbonylContact C-O 3.59Å; C317-E385 WeakPolarHBondContact CA-O 3.46Å; C317-V387 VanDerWaalsContact C-CG2 3.5Å; C317-V387 VanDerWaalsContact O-CG2 3.29Å; C317-V387 WeakPolarHBondContact O-CG2 3.2Å
318	D	86.1	Confident	82.1	Confident	72 Å²	72	46.7 Å²	46.7	39%	0.385	26%	0.259	S	S	.	.			trans	-86	-1.8	-179.3	71	-7.3	0	0	0	114.5	G320 W321 E385 V387	D318-G320 PolarHBondContact O-N 3.34Å; D318-W321 HydrophobicContact CB-CB 4.36Å; D318-W321 WeakPolarHBondContact O-CB 3.25Å; D318-W321 PolarHBondContact O-N 3.41Å; D318-E385 WeakPolarHBondContact CB-O 3.4Å; D318-E385 PolarHBondContact N-O 3.35Å; D318-E385 WeakPolarHBondContact OD1-CA 3.38Å; D318-E385 VanDerWaalsContact OD1-CB 3.3Å; D318-E385 WeakPolarHBondContact OD1-CB 3.31Å; D318-V387 VanDerWaalsContact CA-CG2 3.46Å; D318-V387 HydrophobicContact CB-CG2 3.66Å
319	D	84.8	Confident	82.4	Confident	55 Å²	55	45.7 Å²	45.7	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	119.6	169.6	-83.4	-8.3	0	0	0	111.3	C317 W321	C317-D319 VanDerWaalsContact C-N 3.35Å; C317-D319 PolarHBondContact SG-N 3.31Å; D319-W321 PolarHBondContact O-N 3.18Å
320	G	78.8	Confident	82.5	Confident	55 Å²	55	43.6 Å²	43.6	57%	0.567	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	10.8	-177.1	0	0	0	0	0	115.1	D318 T322	D318-G320 PolarHBondContact O-N 3.34Å; G320-T322 WeakPolarHBondContact O-CG2 3.12Å; G320-T322 PolarHBondContact O-N 2.83Å
321	W	87.3	Confident	82.9	Confident	47 Å²	47	42.3 Å²	42.3	18%	0.178	24%	0.236	C	C	.	.			trans	-71.1	124.9	-177.1	-165.1	-91.7	0	0	0	112.6	L305 V316 D318 D319 N325 T326 V329 V359 L368 V387 I389	L305-W321 HydrophobicContact CD2-CH2 3.36Å; L305-W321 HydrophobicContact CD2-CZ2 3.84Å; L305-W321 HydrophobicContact CD2-CZ3 4.11Å; V316-W321 HydrophobicContact CG1-CE3 4.24Å; V316-W321 HydrophobicContact CG1-CH2 4.47Å; V316-W321 HydrophobicContact CG1-CZ3 3.67Å; D318-W321 HydrophobicContact CB-CB 4.36Å; D318-W321 WeakPolarHBondContact O-CB 3.25Å; D318-W321 PolarHBondContact O-N 3.41Å; D319-W321 PolarHBondContact O-N 3.18Å; W321-N325 HydrophobicContact CD2-CB 3.74Å; W321-N325 VanDerWaalsContact CE2-CB 3.46Å; W321-N325 HydrophobicContact CE3-CB 4.01Å; W321-N325 HydrophobicContact CG-CB 4.37Å; W321-N325 HydrophobicContact CH2-CB 3.82Å; W321-N325 HydrophobicContact CZ2-CB 3.5Å; W321-N325 VanDerWaalsContact CZ2-CB 3.5Å; W321-N325 HydrophobicContact CZ3-CB 4.05Å; W321-T326 PolarHBondContact NE1-OG1 2.97Å; W321-V329 HydrophobicContact CH2-CG2 3.9Å; W321-V329 HydrophobicContact CZ2-CG2 3.97Å; W321-V359 HydrophobicContact CE3-CB 4.29Å; W321-V359 HydrophobicContact CZ3-CB 3.97Å; W321-V359 HydrophobicContact CZ3-CG1 4.29Å; W321-V359 HydrophobicContact CZ3-CG2 4.34Å; W321-L368 HydrophobicContact CH2-CD1 3.75Å; W321-L368 HydrophobicContact CH2-CD2 4.06Å; W321-L368 HydrophobicContact CZ3-CD1 4.18Å; W321-L368 HydrophobicContact CZ3-CD2 4.4Å; W321-V387 HydrophobicContact CB-CG2 4.31Å; W321-V387 HydrophobicContact CD2-CB 4.43Å; W321-V387 HydrophobicContact CD2-CG1 3.86Å; W321-V387 HydrophobicContact CD2-CG2 3.63Å; W321-V387 HydrophobicContact CE3-CG1 4.38Å; W321-V387 HydrophobicContact CE3-CG2 3.68Å; W321-V387 HydrophobicContact CG-CG1 4.29Å; W321-V387 HydrophobicContact CG-CG2 3.92Å; W321-V387 HydrophobicContact CH2-CG1 4.33Å; W321-V387 HydrophobicContact CZ2-CG1 3.82Å; W321-V387 HydrophobicContact CZ3-CG2 4.27Å; W321-I389 HydrophobicContact CH2-CD1 4.49Å; W321-I389 HydrophobicContact CZ2-CD1 3.64Å
322	T	84.4	Confident	83.6	Confident	65 Å²	65	42 Å²	42	40%	0.399	22%	0.218	S	C	.	.			trans	-119.7	171	-178	75.8	0	0	0	0	113.3	G320 S324 N325 T326	G320-T322 WeakPolarHBondContact O-CG2 3.12Å; G320-T322 PolarHBondContact O-N 2.83Å; T322-S324 PolarHBondContact O-N 3.12Å; T322-S324 PolarHBondContact OG1-N 2.72Å; T322-N325 PolarHBondContact N-OD1 3Å; T322-N325 VanDerWaalsContact N-OD1 3.14Å; T322-N325 WeakPolarHBondContact O-CB 3.36Å; T322-N325 PolarHBondContact O-N 3.37Å; T322-N325 VanDerWaalsContact O-N 3.09Å; T322-N325 PolarHBondContact OG1-OD1 3.4Å; T322-T326 PolarHBondContact O-N 3.35Å
323	E	80.5	Confident	83.6	Confident	135 Å²	135	40.1 Å²	40.1	63%	0.631	21%	0.211	S	C	*	.	H	α-helix	trans	-58	-31.5	172.2	-169.8	-179.6	-174.3	0	0	112.4	N325 T326 Q327	E323-N325 VanDerWaalsContact C-N 3.3Å; E323-N325 PolarHBondContact O-N 2.81Å; E323-T326 PolarHBondContact O-N 2.93Å; E323-Q327 PolarHBondContact O-N 3.41Å
324	S	82.8	Confident	83	Confident	42 Å²	42	40.3 Å²	40.3	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-65.6	-34.7	177.4	-64.5	0	0	0	0	111.8	T322 Q327 V328 C361	T322-S324 PolarHBondContact O-N 3.12Å; T322-S324 PolarHBondContact OG1-N 2.72Å; S324-Q327 PolarHBondContact O-N 2.71Å; S324-V328 WeakPolarHBondContact O-CG2 3.4Å; S324-V328 PolarHBondContact O-N 3.36Å; S324-C361 WeakPolarHBondContact CB-O 3.42Å
325	N	85.4	Confident	82.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-48.1	173	-59.5	71.5	0	0	0	110.9	W321 T322 E323 Q327 V328 V329 V359 C361	W321-N325 HydrophobicContact CD2-CB 3.74Å; W321-N325 VanDerWaalsContact CE2-CB 3.46Å; W321-N325 HydrophobicContact CE3-CB 4.01Å; W321-N325 HydrophobicContact CG-CB 4.37Å; W321-N325 HydrophobicContact CH2-CB 3.82Å; W321-N325 HydrophobicContact CZ2-CB 3.5Å; W321-N325 VanDerWaalsContact CZ2-CB 3.5Å; W321-N325 HydrophobicContact CZ3-CB 4.05Å; T322-N325 PolarHBondContact N-OD1 3Å; T322-N325 VanDerWaalsContact N-OD1 3.14Å; T322-N325 WeakPolarHBondContact O-CB 3.36Å; T322-N325 PolarHBondContact O-N 3.37Å; T322-N325 VanDerWaalsContact O-N 3.09Å; T322-N325 PolarHBondContact OG1-OD1 3.4Å; E323-N325 VanDerWaalsContact C-N 3.3Å; E323-N325 PolarHBondContact O-N 2.81Å; N325-Q327 VanDerWaalsContact C-N 3.26Å; N325-Q327 PolarHBondContact O-N 3.3Å; N325-V328 PolarHBondContact O-N 3.15Å; N325-V328 VanDerWaalsContact O-N 3.12Å; N325-V329 WeakPolarHBondContact O-CG2 3.38Å; N325-V329 PolarHBondContact O-N 3Å; N325-V359 PolarHBondContact ND2-O 3.21Å; N325-C361 PolarHBondContact ND2-N 3.48Å
326	T	85.4	Confident	81.1	Confident	31 Å²	31	44 Å²	44	19%	0.19	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-38.5	176.6	-62.3	0	0	0	0	111.8	W321 T322 E323 V329 C330 I389	W321-T326 PolarHBondContact NE1-OG1 2.97Å; T322-T326 PolarHBondContact O-N 3.35Å; E323-T326 PolarHBondContact O-N 2.93Å; T326-V329 PolarHBondContact O-N 3.23Å; T326-C330 WeakPolarHBondContact O-CB 3.27Å; T326-C330 PolarHBondContact O-N 2.78Å; T326-C330 PolarHBondContact O-SG 3.19Å; T326-C330 VanDerWaalsContact O-SG 3.37Å; T326-I389 HydrophobicContact CG2-CG2 3.74Å
327	Q	82.1	Confident	79.7	Confident	74 Å²	74	45.7 Å²	45.7	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-43.1	175.3	177.4	171.9	44	0	0	112.9	E323 S324 N325 R331 S337	E323-Q327 PolarHBondContact O-N 3.41Å; S324-Q327 PolarHBondContact O-N 2.71Å; N325-Q327 VanDerWaalsContact C-N 3.26Å; N325-Q327 PolarHBondContact O-N 3.3Å; Q327-R331 VanDerWaalsContact O-CB 3.22Å; Q327-R331 WeakPolarHBondContact O-CB 3.46Å; Q327-R331 PolarHBondContact O-N 3.42Å; Q327-S337 WeakPolarHBondContact CG-OG 3.32Å
328	V	84.1	Confident	77.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.4	170.8	0	0	0	0	110.4	S324 N325 R331 Q332 C361 E365	S324-V328 WeakPolarHBondContact O-CG2 3.4Å; S324-V328 PolarHBondContact O-N 3.36Å; N325-V328 PolarHBondContact O-N 3.15Å; N325-V328 VanDerWaalsContact O-N 3.12Å; V328-R331 PolarHBondContact O-N 2.88Å; V328-Q332 VanDerWaalsContact O-CB 3.24Å; V328-Q332 WeakPolarHBondContact O-CB 3.4Å; V328-Q332 PolarHBondContact O-N 3.37Å; V328-C361 HydrophobicContact CG2-CB 3.93Å; V328-E365 HydrophobicContact CG1-CB 4.25Å; V328-E365 WeakPolarHBondContact CG1-O 3.48Å; V328-E365 HydrophobicContact CG2-CB 4.09Å
329	V	84.6	Confident	76.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-48.4	-179.6	175.1	0	0	0	0	111.9	V292 L305 W321 N325 T326 R331 Q332 L333 L368 I389	V292-V329 HydrophobicContact CG2-CG1 4.36Å; L305-V329 HydrophobicContact CD1-CG1 3.72Å; L305-V329 HydrophobicContact CD1-CG2 4.45Å; L305-V329 HydrophobicContact CD2-CG2 4.04Å; W321-V329 HydrophobicContact CH2-CG2 3.9Å; W321-V329 HydrophobicContact CZ2-CG2 3.97Å; N325-V329 WeakPolarHBondContact O-CG2 3.38Å; N325-V329 PolarHBondContact O-N 3Å; T326-V329 PolarHBondContact O-N 3.23Å; V329-R331 VanDerWaalsContact C-N 3.29Å; V329-R331 PolarHBondContact O-N 3.17Å; V329-Q332 WeakPolarHBondContact O-CB 3.29Å; V329-Q332 PolarHBondContact O-N 2.86Å; V329-Q332 VanDerWaalsContact O-N 3.15Å; V329-L333 HydrophobicContact CG1-CD1 3.82Å; V329-L333 HydrophobicContact CG1-CG 4.45Å; V329-L333 WeakPolarHBondContact O-CB 3.2Å; V329-L333 WeakPolarHBondContact O-CG 3.26Å; V329-L333 PolarHBondContact O-N 3.08Å; V329-L368 HydrophobicContact CG2-CD1 3.8Å; V329-L368 HydrophobicContact CG2-CD2 4.17Å; V329-L368 HydrophobicContact CG2-CG 4.44Å; V329-I389 HydrophobicContact CB-CD1 3.96Å; V329-I389 HydrophobicContact CG1-CD1 3.71Å; V329-I389 HydrophobicContact CG2-CD1 4.14Å
330	C	81.6	Confident	74.4	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-41.8	177.9	-70.9	0	0	0	0	111.2	T326 L333 G334 Y335 C391	T326-C330 WeakPolarHBondContact O-CB 3.27Å; T326-C330 PolarHBondContact O-N 2.78Å; T326-C330 PolarHBondContact O-SG 3.19Å; T326-C330 VanDerWaalsContact O-SG 3.37Å; C330-L333 CarbonylContact O-C 3.55Å; C330-L333 PolarHBondContact O-N 3.49Å; C330-G334 PolarHBondContact O-N 2.88Å; C330-G334 VanDerWaalsContact O-N 3.1Å; C330-Y335 CarbonylContact C-O 3.57Å; C330-Y335 VanDerWaalsContact C-O 3.24Å; C330-Y335 CarbonylContact O-C 3.33Å; C330-Y335 WeakPolarHBondContact O-CA 3.48Å; C330-Y335 PolarHBondContact O-N 3.43Å; C330-C391 WeakPolarHBondContact CA-SG 3.44Å; C330-C391 HydrophobicContact CB-CB 3.84Å; C330-C391 WeakPolarHBondContact CB-SG 3.25Å; C330-C391 VanDerWaalsContact SG-CA 3.54Å; C330-C391 WeakPolarHBondContact SG-CB 3.42Å; C330-C391 CovalentContact SG-SG 2.04Å; C330-C391 PolarHBondContact SG-SG 2.81Å
331	R	79	Confident	72.5	Confident	103 Å²	103	65.5 Å²	65.5	39%	0.389	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-40.4	175.4	-177.9	171.7	61.7	-135.1	-2.9	112.3	Q327 V328 V329 L333 G334 Y335 G363 E365	Q327-R331 VanDerWaalsContact O-CB 3.22Å; Q327-R331 WeakPolarHBondContact O-CB 3.46Å; Q327-R331 PolarHBondContact O-N 3.42Å; V328-R331 PolarHBondContact O-N 2.88Å; V329-R331 VanDerWaalsContact C-N 3.29Å; V329-R331 PolarHBondContact O-N 3.17Å; R331-L333 PolarHBondContact O-N 2.77Å; R331-G334 PolarHBondContact O-N 2.87Å; R331-G334 VanDerWaalsContact O-N 3.08Å; R331-Y335 PolarHBondContact N-O 3.07Å; R331-G363 VanDerWaalsContact CZ-O 3.32Å; R331-G363 PolarHBondContact NH1-O 3.12Å; R331-G363 PolarHBondContact NH2-O 3.23Å; R331-E365 PolarHBondContact NH2-O 3.13Å
332	Q	78.3	Confident	70.2	Confident	55 Å²	55	71 Å²	71	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-32.8	176	-175	178.4	-11.5	0	0	111.5	G290 V292 V328 V329 G334 S367	G290-Q332 PolarHBondContact O-NE2 3.27Å; V292-Q332 HydrophobicContact CG2-CB 4.3Å; V292-Q332 HydrophobicContact CG2-CG 3.89Å; V328-Q332 VanDerWaalsContact O-CB 3.24Å; V328-Q332 WeakPolarHBondContact O-CB 3.4Å; V328-Q332 PolarHBondContact O-N 3.37Å; V329-Q332 WeakPolarHBondContact O-CB 3.29Å; V329-Q332 PolarHBondContact O-N 2.86Å; V329-Q332 VanDerWaalsContact O-N 3.15Å; Q332-G334 VanDerWaalsContact C-N 3.34Å; Q332-S367 VanDerWaalsContact OE1-CA 3.24Å
333	L	70.6	Confident	68.6	Low	47 Å²	47	73.1 Å²	73.1	25%	0.246	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.8	174.3	-68.4	169.5	0	0	0	114	V292 L294 V329 C330 R331 Y335	V292-L333 HydrophobicContact CG2-CD2 3.86Å; V292-L333 HydrophobicContact CG2-CG 3.91Å; V292-L333 WeakPolarHBondContact O-CD2 3.35Å; L294-L333 HydrophobicContact CD1-CD1 3.83Å; L294-L333 HydrophobicContact CD2-CD1 4.13Å; L294-L333 HydrophobicContact CG-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CD1 3.82Å; V329-L333 HydrophobicContact CG1-CG 4.45Å; V329-L333 WeakPolarHBondContact O-CB 3.2Å; V329-L333 WeakPolarHBondContact O-CG 3.26Å; V329-L333 PolarHBondContact O-N 3.08Å; C330-L333 CarbonylContact O-C 3.55Å; C330-L333 PolarHBondContact O-N 3.49Å; R331-L333 PolarHBondContact O-N 2.77Å; L333-Y335 HydrophobicContact CB-CD2 3.75Å; L333-Y335 HydrophobicContact CB-CE2 4.09Å
334	G	67.5	Low	67.3	Low	62 Å²	62	68.2 Å²	68.2	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	11.7	179.8	0	0	0	0	0	115.6	C330 R331 Q332	C330-G334 PolarHBondContact O-N 2.88Å; C330-G334 VanDerWaalsContact O-N 3.1Å; R331-G334 PolarHBondContact O-N 2.87Å; R331-G334 VanDerWaalsContact O-N 3.08Å; Q332-G334 VanDerWaalsContact C-N 3.34Å
335	Y	72.4	Confident	66	Low	29 Å²	29	69.6 Å²	69.6	11%	0.114	38%	0.378	C	S	.	.			trans	-101	159.1	175.8	-60.2	-68.2	0	0	0	112.3	S300 H301 C330 R331 L333 C391 R395	S300-Y335 WeakPolarHBondContact CB-OH 3.14Å; S300-Y335 WeakPolarHBondContact O-CE2 3.4Å; S300-Y335 PolarHBondContact OG-OH 2.8Å; H301-Y335 HydrophobicContact CB-CD1 4.08Å; H301-Y335 HydrophobicContact CB-CD2 4.38Å; H301-Y335 HydrophobicContact CB-CE1 3.97Å; H301-Y335 HydrophobicContact CB-CE2 4.25Å; H301-Y335 HydrophobicContact CB-CG 4.32Å; C330-Y335 CarbonylContact C-O 3.57Å; C330-Y335 VanDerWaalsContact C-O 3.24Å; C330-Y335 CarbonylContact O-C 3.33Å; C330-Y335 WeakPolarHBondContact O-CA 3.48Å; C330-Y335 PolarHBondContact O-N 3.43Å; R331-Y335 PolarHBondContact N-O 3.07Å; L333-Y335 HydrophobicContact CB-CD2 3.75Å; L333-Y335 HydrophobicContact CB-CE2 4.09Å; Y335-C391 VanDerWaalsContact CB-CB 3.5Å; Y335-C391 HydrophobicContact CD2-CB 4.15Å; Y335-C391 HydrophobicContact CG-CB 3.94Å; Y335-R395 HydrophobicContact CD1-CG 4.27Å; Y335-R395 HydrophobicContact CE1-CG 3.88Å
336	S	66	Low	64.9	Low	50 Å²	50	79.5 Å²	79.5	35%	0.35	42%	0.416	S	S	.	.			trans	-90.1	141.5	173.2	73.7	0	0	0	0	111.5	R338 S392	S336-R338 VanDerWaalsContact C-N 3.35Å; S336-R338 PolarHBondContact O-N 3.34Å; S336-R338 VanDerWaalsContact O-N 3.14Å; S336-S392 PolarHBondContact O-N 3.19Å; S336-S392 PolarHBondContact O-OG 2.84Å; S336-S392 PolarHBondContact OG-OG 3.37Å
337	S	61.4	Low	64	Low	37 Å²	37	79.2 Å²	79.2	26%	0.259	41%	0.412	S	S	.	.			trans	-86.4	76.8	175.5	73.6	0	0	0	0	109.8	Q327	Q327-S337 WeakPolarHBondContact CG-OG 3.32Å
338	R	50.6	Low	63.2	Low	174 Å²	174	77.9 Å²	77.9	66%	0.657	42%	0.418	S	S	*	.			trans	-131.9	95.7	162.3	-74	-168.3	-178.8	-144.4	-4.1	108	S336 S392	S336-R338 VanDerWaalsContact C-N 3.35Å; S336-R338 PolarHBondContact O-N 3.34Å; S336-R338 VanDerWaalsContact O-N 3.14Å; R338-S392 VanDerWaalsContact O-CB 3.31Å; R338-S392 WeakPolarHBondContact O-CB 3.33Å
339	L	49.9	Very low	62.5	Low	141 Å²	141	83.2 Å²	83.2	74%	0.738	45%	0.445	S	S	*	.			trans	-175.7	130.6	133.7	-93.9	163.5	0	0	0	109.5	M341	L339-M341 PolarHBondContact O-N 2.61Å
340	N	49.8	Very low	61.8	Low	146 Å²	146	83.6 Å²	83.6	78%	0.781	45%	0.449	S	S	*	.			trans	-62	110.1	157.6	-96.3	-25.8	0	0	0	108
341	M	39.8	Very low	61.2	Low	137 Å²	137	88 Å²	88	68%	0.675	48%	0.48	S	S	*	.			trans	-130.8	95.1	158.4	-93.6	-168.2	148.5	0	0	108.6	L339 A344	L339-M341 PolarHBondContact O-N 2.61Å; M341-A344 PolarHBondContact O-N 3.07Å
342	N	37.8	Very low	61.2	Low	162 Å²	162	85.5 Å²	85.5	87%	0.866	49%	0.486	S	S	*	.	S	Bend	trans	-101.2	121.1	159.8	-157.2	7.3	0	0	0	107.7
343	P	50.8	Low	61.5	Low	110 Å²	110	84.6 Å²	84.6	71%	0.714	49%	0.485	S	S	*	.	S	Bend	cis	-96.3	144.4	-7.9	4.6	17	0	0	0	112.4
344	A	53.5	Low	62.3	Low	32 Å²	32	82.7 Å²	82.7	26%	0.264	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60.3	141.3	168	0	0	0	0	0	110.5	M341 R346 N388	M341-A344 PolarHBondContact O-N 3.07Å; A344-R346 PolarHBondContact O-N 3.19Å; A344-N388 HydrophobicContact CB-CB 4.42Å
345	P	54.9	Low	63.3	Low	70 Å²	70	79.8 Å²	79.8	46%	0.455	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-57.3	139.4	172.2	-17.9	28.4	0	0	0	110.5	F347	P345-F347 HydrophobicContact CB-CE1 4.1Å; P345-F347 HydrophobicContact CB-CE2 4.33Å; P345-F347 HydrophobicContact CB-CZ 3.93Å; P345-F347 HydrophobicContact CG-CE1 4.36Å; P345-F347 HydrophobicContact CG-CE2 4.45Å; P345-F347 HydrophobicContact CG-CZ 3.88Å; P345-F347 WeakPolarHBondContact O-CD2 3.41Å; P345-F347 VanDerWaalsContact O-CE2 3.23Å; P345-F347 WeakPolarHBondContact O-CE2 3.05Å; P345-F347 PolarHBondContact O-N 3.19Å; P345-F347 VanDerWaalsContact O-N 3.17Å
346	R	63.1	Low	64.2	Low	209 Å²	209	78.4 Å²	78.4	79%	0.789	44%	0.439	S	S	*	.			trans	-69.5	109.9	172.1	-78.5	-175.7	170.1	175.6	-4.4	109.4	A344 G348	A344-R346 PolarHBondContact O-N 3.19Å; R346-G348 PolarHBondContact O-N 3Å; R346-G348 VanDerWaalsContact O-N 3.08Å
347	F	67.3	Low	65.3	Low	25 Å²	25	76 Å²	76	11%	0.11	42%	0.423	C	S	.	.			trans	-86.4	40.8	-177.5	-63.1	-72.4	0	0	0	113.4	G296 Q302 G303 R304 P345 N388	G296-F347 WeakPolarHBondContact O-CD1 3.45Å; Q302-F347 HydrophobicContact CB-CE2 4.42Å; Q302-F347 HydrophobicContact CB-CZ 4.05Å; Q302-F347 HydrophobicContact CG-CE1 4.46Å; Q302-F347 HydrophobicContact CG-CZ 4.18Å; G303-F347 VanDerWaalsContact CA-CD2 3.49Å; R304-F347 PolarHBondContact NH1-O 3.46Å; P345-F347 HydrophobicContact CB-CE1 4.1Å; P345-F347 HydrophobicContact CB-CE2 4.33Å; P345-F347 HydrophobicContact CB-CZ 3.93Å; P345-F347 HydrophobicContact CG-CE1 4.36Å; P345-F347 HydrophobicContact CG-CE2 4.45Å; P345-F347 HydrophobicContact CG-CZ 3.88Å; P345-F347 WeakPolarHBondContact O-CD2 3.41Å; P345-F347 VanDerWaalsContact O-CE2 3.23Å; P345-F347 WeakPolarHBondContact O-CE2 3.05Å; P345-F347 PolarHBondContact O-N 3.19Å; P345-F347 VanDerWaalsContact O-N 3.17Å; F347-N388 HydrophobicContact CD2-CB 4.19Å; F347-N388 PolarHBondContact N-OD1 2.82Å; F347-N388 VanDerWaalsContact N-OD1 3.12Å
348	G	64.6	Low	66.5	Low	45 Å²	45	77.5 Å²	77.5	46%	0.464	43%	0.428	S	S	.	.			trans	79.5	155.5	-176	0	0	0	0	0	113.8	R304 R346	R304-G348 PolarHBondContact NH1-O 2.88Å; R346-G348 PolarHBondContact O-N 3Å; R346-G348 VanDerWaalsContact O-N 3.08Å
349	I	70	Confident	68.3	Low	112 Å²	112	69.2 Å²	69.2	57%	0.574	40%	0.396	S	S	*	.			trans	-74.3	135.4	177.2	-59	172	0	0	0	108.3	H383	I349-H383 HydrophobicContact CG2-CB 3.46Å; I349-H383 VanDerWaalsContact CG2-CB 3.46Å
350	G	68.1	Low	70.2	Confident	8 Å²	8	65.6 Å²	65.6	8%	0.082	38%	0.383	C	S	.	.			trans	-64.7	168.7	176.3	0	0	0	0	0	113.5	D386	G350-D386 WeakPolarHBondContact CA-OD2 3.03Å; G350-D386 PolarHBondContact N-OD2 3.22Å
351	S	69.2	Low	72	Confident	95 Å²	95	59.1 Å²	59.1	66%	0.664	35%	0.349	S	S	*	.			trans	-142.5	138.1	175.9	63.3	0	0	0	0	109
352	G	79.6	Confident	74	Confident	49 Å²	49	57.3 Å²	57.3	51%	0.505	35%	0.346	S	S	.	.	S	Bend	trans	105.5	-161.8	-176.6	0	0	0	0	0	112	H383	G352-H383 PolarHBondContact O-CE1 3.29Å; G352-H383 PolarHBondContact O-NE2 2.97Å
353	P	83.6	Confident	75.9	Confident	36 Å²	36	49.8 Å²	49.8	23%	0.234	31%	0.306	C	S	.	.			trans	-74.4	144.1	-177.7	28.9	-33.1	0	0	0	112	G314 T315 L355 L377	G314-P353 CarbonylContact C-O 3.55Å; G314-P353 WeakPolarHBondContact CA-O 3.14Å; T315-P353 PolarHBondContact N-O 2.9Å; P353-L355 HydrophobicContact CB-CD2 4.08Å; P353-L355 HydrophobicContact CB-CG 4.43Å; P353-L355 HydrophobicContact CG-CD2 3.98Å; P353-L355 HydrophobicContact CG-CG 4.25Å; P353-L377 HydrophobicContact CB-CD2 3.79Å
354	I	88	Confident	77.1	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.8	161.5	-48.3	-177	0	0	0	106.4	T315 C317 H379 C381	T315-I354 WeakPolarHBondContact OG1-CG1 3.43Å; C317-I354 HydrophobicContact CB-CG2 4.36Å; I354-H379 PolarHBondContact O-CD2 3.33Å; I354-H379 VanDerWaalsContact O-CD2 3.3Å; I354-C381 HydrophobicContact CD1-CB 4.34Å
355	L	88.9	Confident	78.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-29.7	-166.8	-71.8	174.1	0	0	0	113.4	I307 Y309 G314 T315 P353 W376 L377	I307-L355 HydrophobicContact CG2-CB 3.79Å; I307-L355 HydrophobicContact CG2-CD1 3.88Å; I307-L355 HydrophobicContact CG2-CG 4.49Å; I307-L355 WeakPolarHBondContact O-CD1 3.38Å; Y309-L355 HydrophobicContact CD1-CD2 4.29Å; G314-L355 VanDerWaalsContact CA-CD1 3.45Å; G314-L355 VanDerWaalsContact N-CD1 3.28Å; T315-L355 PolarHBondContact O-N 2.88Å; P353-L355 HydrophobicContact CB-CD2 4.08Å; P353-L355 HydrophobicContact CB-CG 4.43Å; P353-L355 HydrophobicContact CG-CD2 3.98Å; P353-L355 HydrophobicContact CG-CG 4.25Å; L355-W376 HydrophobicContact CB-CE3 4.24Å; L355-W376 HydrophobicContact CB-CZ3 4.31Å; L355-L377 HydrophobicContact CD2-CD2 3.63Å; L355-L377 HydrophobicContact CD2-CG 4.19Å; L355-L377 PolarHBondContact O-N 3.25Å; L355-L377 VanDerWaalsContact O-N 3.08Å
356	L	90.5	Very high	79.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.4	-176.3	-72.8	-174.4	0	0	0	112	I307 V316 C317 V359 L368 W376	I307-L356 HydrophobicContact CD1-CD1 3.45Å; I307-L356 VanDerWaalsContact CD1-CD1 3.45Å; I307-L356 HydrophobicContact CD1-CG 4.39Å; I307-L356 HydrophobicContact CG2-CD1 4.31Å; I307-L356 HydrophobicContact CG2-CG 4.32Å; V316-L356 HydrophobicContact CG1-CB 3.99Å; V316-L356 HydrophobicContact CG2-CB 4.25Å; C317-L356 PolarHBondContact N-O 2.9Å; L356-V359 HydrophobicContact CB-CG2 3.98Å; L356-V359 HydrophobicContact CD1-CG2 4.33Å; L356-L368 HydrophobicContact CD1-CD2 4.34Å; L356-W376 HydrophobicContact CD1-CH2 4.38Å; L356-W376 HydrophobicContact CD1-CZ3 4.06Å; L356-W376 HydrophobicContact CD2-CD2 4.01Å; L356-W376 HydrophobicContact CD2-CE3 3.47Å; L356-W376 VanDerWaalsContact CD2-CE3 3.47Å; L356-W376 HydrophobicContact CD2-CH2 4.22Å; L356-W376 HydrophobicContact CD2-CZ3 3.59Å; L356-W376 HydrophobicContact CG-CE3 3.92Å; L356-W376 HydrophobicContact CG-CH2 4.38Å; L356-W376 HydrophobicContact CG-CZ3 3.63Å
357	D	90.1	Very high	80.2	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.28	C	S	.	.			trans	-149.3	157.1	-177.8	-178.3	27.9	0	0	0	110.3	C317 V359 K374 H379 C381	C317-D357 HydrophobicContact CB-CB 4.22Å; D357-V359 VanDerWaalsContact C-N 3.28Å; D357-V359 PolarHBondContact O-N 2.76Å; D357-K374 HydrophobicContact CB-CD 4.09Å; D357-K374 PolarHBondContact O-N 2.76Å; D357-K374 VanDerWaalsContact OD2-CD 3.26Å; D357-K374 WeakPolarHBondContact OD2-CD 3.47Å; D357-K374 IonicContact OD2-NZ 2.95Å; D357-K374 PolarHBondContact OD2-NZ 3.03Å; D357-H379 HydrophobicContact CB-CB 3.56Å; D357-H379 WeakPolarHBondContact OD2-CA 3.08Å; D357-C381 PolarHBondContact OD1-SG 2.95Å
358	D	86.4	Confident	81	Confident	68 Å²	68	43.9 Å²	43.9	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	46	47.5	-174.5	-78.1	-37.7	0	0	0	113.1	S360 K374	D358-S360 PolarHBondContact O-N 2.67Å; D358-K374 HydrophobicContact CB-CD 3.99Å; D358-K374 HydrophobicContact CB-CG 4.16Å; D358-K374 WeakPolarHBondContact OD2-CD 2.84Å; D358-K374 WeakPolarHBondContact OD2-CE 3.38Å; D358-K374 IonicContact OD2-NZ 3.87Å; D358-K374 PolarHBondContact OD2-NZ 2.85Å
359	V	89.1	Confident	81.8	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.265	C	S	.	.			trans	-77.1	123.3	-179.9	-170.4	0	0	0	0	108.8	V316 W321 N325 L356 D357 L368 C371 R373	V316-V359 HydrophobicContact CG1-CG2 3.97Å; W321-V359 HydrophobicContact CE3-CB 4.29Å; W321-V359 HydrophobicContact CZ3-CB 3.97Å; W321-V359 HydrophobicContact CZ3-CG1 4.29Å; W321-V359 HydrophobicContact CZ3-CG2 4.34Å; N325-V359 PolarHBondContact ND2-O 3.21Å; L356-V359 HydrophobicContact CB-CG2 3.98Å; L356-V359 HydrophobicContact CD1-CG2 4.33Å; D357-V359 VanDerWaalsContact C-N 3.28Å; D357-V359 PolarHBondContact O-N 2.76Å; V359-L368 HydrophobicContact CG1-CD1 3.72Å; V359-L368 HydrophobicContact CG1-CG 4.11Å; V359-C371 HydrophobicContact CG1-CB 3.97Å; V359-R373 HydrophobicContact CG2-CB 4.29Å
360	S	89.2	Confident	82.4	Confident	65 Å²	65	44.1 Å²	44.1	46%	0.455	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-128.8	108.3	179.1	172.2	0	0	0	0	110.6	D358 N372	D358-S360 PolarHBondContact O-N 2.67Å; S360-N372 PolarHBondContact N-O 2.97Å; S360-N372 PolarHBondContact O-N 2.99Å; S360-N372 VanDerWaalsContact O-N 3.09Å
361	C	86.9	Confident	83.3	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.061	26%	0.264	C	S	.	.			trans	-103	149.1	177.5	-58.4	0	0	0	0	111.9	S324 N325 V328 G363 C371	S324-C361 WeakPolarHBondContact CB-O 3.42Å; N325-C361 PolarHBondContact ND2-N 3.48Å; V328-C361 HydrophobicContact CG2-CB 3.93Å; C361-G363 VanDerWaalsContact C-N 3.31Å; C361-C371 HydrophobicContact CB-CB 3.97Å; C361-C371 WeakPolarHBondContact CB-SG 3.37Å; C361-C371 WeakPolarHBondContact SG-CB 3.37Å; C361-C371 CovalentContact SG-SG 2.03Å; C361-C371 PolarHBondContact SG-SG 3.09Å
362	T	83.5	Confident	84.3	Confident	100 Å²	100	45.4 Å²	45.4	61%	0.613	26%	0.264	S	S	*	.			trans	-82.5	-8.4	169	66	0	0	0	0	113.2	K364 E365	T362-K364 VanDerWaalsContact C-N 3.35Å; T362-E365 VanDerWaalsContact CB-OE1 3.31Å; T362-E365 WeakPolarHBondContact CB-OE1 3.5Å; T362-E365 WeakPolarHBondContact CG2-OE1 3.18Å; T362-E365 VanDerWaalsContact N-CD 3.3Å; T362-E365 PolarHBondContact N-OE1 3.15Å; T362-E365 PolarHBondContact N-OE2 3.19Å; T362-E365 VanDerWaalsContact N-OE2 3.08Å; T362-E365 PolarHBondContact OG1-OE1 3.06Å; T362-E365 PolarHBondContact OG1-OE2 3.32Å
363	G	76.1	Confident	84.8	Confident	3 Å²	3	46.3 Å²	46.3	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	90.7	-6.3	-178.6	0	0	0	0	0	113.6	R331 C361 E365	R331-G363 VanDerWaalsContact CZ-O 3.32Å; R331-G363 PolarHBondContact NH1-O 3.12Å; R331-G363 PolarHBondContact NH2-O 3.23Å; C361-G363 VanDerWaalsContact C-N 3.31Å; G363-E365 PolarHBondContact N-OE2 2.85Å
364	K	76	Confident	84.8	Confident	180 Å²	180	47.4 Å²	47.4	78%	0.783	25%	0.253	S	S	*	.			trans	-104.6	-10	-176.9	-65.7	-178.8	-176.3	173.4	0	113.8	T362	T362-K364 VanDerWaalsContact C-N 3.35Å
365	E	83.9	Confident	84.7	Confident	24 Å²	24	53.5 Å²	53.5	11%	0.112	28%	0.281	C	S	.	.			trans	-66.2	138	-177.3	-62.7	81.4	179.7	0	0	111.3	V328 R331 T362 G363 S367 L370	V328-E365 HydrophobicContact CG1-CB 4.25Å; V328-E365 WeakPolarHBondContact CG1-O 3.48Å; V328-E365 HydrophobicContact CG2-CB 4.09Å; R331-E365 PolarHBondContact NH2-O 3.13Å; T362-E365 VanDerWaalsContact CB-OE1 3.31Å; T362-E365 WeakPolarHBondContact CB-OE1 3.5Å; T362-E365 WeakPolarHBondContact CG2-OE1 3.18Å; T362-E365 VanDerWaalsContact N-CD 3.3Å; T362-E365 PolarHBondContact N-OE1 3.15Å; T362-E365 PolarHBondContact N-OE2 3.19Å; T362-E365 VanDerWaalsContact N-OE2 3.08Å; T362-E365 PolarHBondContact OG1-OE1 3.06Å; T362-E365 PolarHBondContact OG1-OE2 3.32Å; G363-E365 PolarHBondContact N-OE2 2.85Å; E365-S367 VanDerWaalsContact C-N 3.26Å; E365-S367 PolarHBondContact O-N 2.82Å; E365-L370 HydrophobicContact CB-CB 4.39Å
366	P	72	Confident	84.6	Confident	94 Å²	94	55.7 Å²	55.7	61%	0.61	29%	0.289	S	S	*	.	S	Bend	trans	-76	-15.6	-178.9	29	-31.1	0	0	0	112.9	L370	P366-L370 HydrophobicContact CG-CD1 3.48Å; P366-L370 VanDerWaalsContact CG-CD1 3.48Å
367	S	80.3	Confident	84.3	Confident	24 Å²	24	60 Å²	60	17%	0.168	31%	0.312	C	S	.	.	S	Bend	trans	-154.6	160.7	174.3	66.2	0	0	0	0	112	Q332 E365 L369 L370	Q332-S367 VanDerWaalsContact OE1-CA 3.24Å; E365-S367 VanDerWaalsContact C-N 3.26Å; E365-S367 PolarHBondContact O-N 2.82Å; S367-L369 PolarHBondContact O-N 3.06Å; S367-L370 PolarHBondContact O-N 3.35Å; S367-L370 VanDerWaalsContact O-N 3.16Å
368	L	84.2	Confident	84.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-61.6	-25.6	-179.3	-159.6	65.6	0	0	0	113.2	V292 L305 I307 V316 W321 V329 L356 V359 L370 C371	V292-L368 HydrophobicContact CG1-CB 4.37Å; V292-L368 HydrophobicContact CG1-CD2 4.28Å; L305-L368 HydrophobicContact CD2-CD2 4Å; I307-L368 HydrophobicContact CD1-CD2 4.32Å; V316-L368 HydrophobicContact CG2-CD2 4.4Å; W321-L368 HydrophobicContact CH2-CD1 3.75Å; W321-L368 HydrophobicContact CH2-CD2 4.06Å; W321-L368 HydrophobicContact CZ3-CD1 4.18Å; W321-L368 HydrophobicContact CZ3-CD2 4.4Å; V329-L368 HydrophobicContact CG2-CD1 3.8Å; V329-L368 HydrophobicContact CG2-CD2 4.17Å; V329-L368 HydrophobicContact CG2-CG 4.44Å; L356-L368 HydrophobicContact CD1-CD2 4.34Å; V359-L368 HydrophobicContact CG1-CD1 3.72Å; V359-L368 HydrophobicContact CG1-CG 4.11Å; L368-L370 PolarHBondContact O-N 2.82Å; L368-C371 PolarHBondContact O-N 2.87Å
369	L	82.1	Confident	84.3	Confident	49 Å²	49	67.8 Å²	67.8	26%	0.257	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-63.7	-27.5	176.9	-74.6	-171.1	0	0	0	114.7	D289 G290 I307 S367 W376	D289-L369 WeakPolarHBondContact O-CD1 3.28Å; G290-L369 VanDerWaalsContact CA-CD1 3.44Å; I307-L369 HydrophobicContact CD1-CD2 4.29Å; S367-L369 PolarHBondContact O-N 3.06Å; L369-W376 HydrophobicContact CD2-CH2 3.33Å; L369-W376 HydrophobicContact CD2-CZ2 3.23Å
370	L	83.4	Confident	84.2	Confident	113 Å²	113	73.7 Å²	73.7	59%	0.592	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-94.1	-2	-174.3	-65.9	168	0	0	0	112.1	E365 P366 S367 L368	E365-L370 HydrophobicContact CB-CB 4.39Å; P366-L370 HydrophobicContact CG-CD1 3.48Å; P366-L370 VanDerWaalsContact CG-CD1 3.48Å; S367-L370 PolarHBondContact O-N 3.35Å; S367-L370 VanDerWaalsContact O-N 3.16Å; L368-L370 PolarHBondContact O-N 2.82Å
371	C	86.4	Confident	84.1	Confident	8 Å²	8	71 Å²	71	5%	0.054	35%	0.352	C	S	.	.	S	Bend	trans	-75.3	157.5	168.7	-58.2	0	0	0	0	110.6	V359 C361 L368	V359-C371 HydrophobicContact CG1-CB 3.97Å; C361-C371 HydrophobicContact CB-CB 3.97Å; C361-C371 WeakPolarHBondContact CB-SG 3.37Å; C361-C371 WeakPolarHBondContact SG-CB 3.37Å; C361-C371 CovalentContact SG-SG 2.03Å; C361-C371 PolarHBondContact SG-SG 3.09Å; L368-C371 PolarHBondContact O-N 2.87Å
372	N	90.3	Very high	84.1	Confident	123 Å²	123	73.9 Å²	73.9	66%	0.658	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-65.6	136	170.2	-173	48.8	0	0	0	109	S360	S360-N372 PolarHBondContact N-O 2.97Å; S360-N372 PolarHBondContact O-N 2.99Å; S360-N372 VanDerWaalsContact O-N 3.09Å
373	R	88.8	Confident	84.2	Confident	68 Å²	68	71.5 Å²	71.5	26%	0.257	35%	0.351	S	S	.	.			trans	-162.5	160.6	-173.5	59.7	-177.6	-175.7	83.5	-4.4	111.6	V359 W376	V359-R373 HydrophobicContact CG2-CB 4.29Å; R373-W376 VanDerWaalsContact NH2-NE1 3.15Å
374	K	83.9	Confident	84.5	Confident	58 Å²	58	77.2 Å²	77.2	25%	0.252	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-66.5	164.7	166.1	-81.7	166.7	167.1	158.8	0	111.7	D357 D358 D380	D357-K374 HydrophobicContact CB-CD 4.09Å; D357-K374 PolarHBondContact O-N 2.76Å; D357-K374 VanDerWaalsContact OD2-CD 3.26Å; D357-K374 WeakPolarHBondContact OD2-CD 3.47Å; D357-K374 IonicContact OD2-NZ 2.95Å; D357-K374 PolarHBondContact OD2-NZ 3.03Å; D358-K374 HydrophobicContact CB-CD 3.99Å; D358-K374 HydrophobicContact CB-CG 4.16Å; D358-K374 WeakPolarHBondContact OD2-CD 2.84Å; D358-K374 WeakPolarHBondContact OD2-CE 3.38Å; D358-K374 IonicContact OD2-NZ 3.87Å; D358-K374 PolarHBondContact OD2-NZ 2.85Å; K374-D380 IonicContact NZ-OD1 2.74Å; K374-D380 PolarHBondContact NZ-OD1 2.8Å
375	E	85.8	Confident	84.9	Confident	135 Å²	135	71.6 Å²	71.6	63%	0.631	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-59.8	152.2	171.9	-67.4	176.1	157.9	0	0	110.9	R378	E375-R378 HydrophobicContact CB-CB 4.4Å; E375-R378 WeakPolarHBondContact O-CB 3.48Å; E375-R378 PolarHBondContact O-N 2.97Å; E375-R378 IonicContact OE2-NH1 2.89Å
376	W	87.4	Confident	85.1	Confident	47 Å²	47	70.7 Å²	70.7	18%	0.178	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	142.1	-179.4	-63.9	105.3	0	0	0	112.1	I307 Y309 L355 L356 L369 R373 R378	I307-W376 HydrophobicContact CD1-CH2 3.91Å; I307-W376 HydrophobicContact CD1-CZ3 4.14Å; I307-W376 HydrophobicContact CG2-CZ3 4.27Å; Y309-W376 HydrophobicContact CD1-CB 4.15Å; Y309-W376 AromaticContact CD1-CD2 3.95Å; Y309-W376 HydrophobicContact CD1-CD2 3.95Å; Y309-W376 AromaticContact CD1-CE3 3.93Å; Y309-W376 HydrophobicContact CD1-CE3 3.93Å; Y309-W376 HydrophobicContact CD1-CG 4.09Å; Y309-W376 AromaticContact CD2-CD2 3.59Å; Y309-W376 HydrophobicContact CD2-CD2 3.59Å; Y309-W376 AromaticContact CD2-CE2 3.38Å; Y309-W376 AromaticContact CD2-CE3 3.85Å; Y309-W376 HydrophobicContact CD2-CE3 3.85Å; Y309-W376 HydrophobicContact CD2-CG 4.17Å; Y309-W376 AromaticContact CD2-CH2 3.72Å; Y309-W376 HydrophobicContact CD2-CH2 3.72Å; Y309-W376 AromaticContact CD2-CZ2 3.44Å; Y309-W376 HydrophobicContact CD2-CZ2 3.44Å; Y309-W376 VanDerWaalsContact CD2-CZ2 3.44Å; Y309-W376 AromaticContact CD2-CZ3 3.93Å; Y309-W376 HydrophobicContact CD2-CZ3 3.93Å; Y309-W376 AromaticContact CD2-NE1 3.87Å; Y309-W376 HydrophobicContact CE1-CB 3.56Å; Y309-W376 AromaticContact CE1-CD2 3.91Å; Y309-W376 HydrophobicContact CE1-CD2 3.91Å; Y309-W376 HydrophobicContact CE1-CE3 4.35Å; Y309-W376 AromaticContact CE1-CG 3.58Å; Y309-W376 HydrophobicContact CE1-CG 3.58Å; Y309-W376 AromaticContact CE2-CD1 3.51Å; Y309-W376 AromaticContact CE2-CD2 3.58Å; Y309-W376 HydrophobicContact CE2-CD2 3.58Å; Y309-W376 AromaticContact CE2-CE2 3.27Å; Y309-W376 HydrophobicContact CE2-CE3 4.3Å; Y309-W376 AromaticContact CE2-CG 3.7Å; Y309-W376 HydrophobicContact CE2-CG 3.7Å; Y309-W376 HydrophobicContact CE2-CH2 4.45Å; Y309-W376 AromaticContact CE2-CZ2 3.75Å; Y309-W376 HydrophobicContact CE2-CZ2 3.75Å; Y309-W376 AromaticContact CE2-NE1 3.23Å; Y309-W376 AromaticContact CG-CD2 3.8Å; Y309-W376 HydrophobicContact CG-CD2 3.8Å; Y309-W376 AromaticContact CG-CE3 3.67Å; Y309-W376 HydrophobicContact CG-CE3 3.67Å; Y309-W376 HydrophobicContact CG-CG 4.36Å; Y309-W376 HydrophobicContact CG-CH2 4.1Å; Y309-W376 HydrophobicContact CG-CZ2 4.21Å; Y309-W376 AromaticContact CG-CZ3 3.84Å; Y309-W376 HydrophobicContact CG-CZ3 3.84Å; Y309-W376 AromaticContact CZ-CD1 3.32Å; Y309-W376 AromaticContact CZ-CD2 3.74Å; Y309-W376 AromaticContact CZ-CE2 3.87Å; Y309-W376 AromaticContact CZ-CG 3.37Å; Y309-W376 AromaticContact CZ-NE1 3.61Å; L355-W376 HydrophobicContact CB-CE3 4.24Å; L355-W376 HydrophobicContact CB-CZ3 4.31Å; L356-W376 HydrophobicContact CD1-CH2 4.38Å; L356-W376 HydrophobicContact CD1-CZ3 4.06Å; L356-W376 HydrophobicContact CD2-CD2 4.01Å; L356-W376 HydrophobicContact CD2-CE3 3.47Å; L356-W376 VanDerWaalsContact CD2-CE3 3.47Å; L356-W376 HydrophobicContact CD2-CH2 4.22Å; L356-W376 HydrophobicContact CD2-CZ3 3.59Å; L356-W376 HydrophobicContact CG-CE3 3.92Å; L356-W376 HydrophobicContact CG-CH2 4.38Å; L356-W376 HydrophobicContact CG-CZ3 3.63Å; L369-W376 HydrophobicContact CD2-CH2 3.33Å; L369-W376 HydrophobicContact CD2-CZ2 3.23Å; R373-W376 VanDerWaalsContact NH2-NE1 3.15Å; W376-R378 PolarHBondContact O-N 2.03Å; W376-R378 VanDerWaalsContact O-N 3.12Å
377	L	85.1	Confident	85.9	Confident	92 Å²	92	66.4 Å²	66.4	48%	0.482	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	6.2	-179.3	-60.7	162.1	0	0	0	114.8	P353 L355	P353-L377 HydrophobicContact CB-CD2 3.79Å; L355-L377 HydrophobicContact CD2-CD2 3.63Å; L355-L377 HydrophobicContact CD2-CG 4.19Å; L355-L377 PolarHBondContact O-N 3.25Å; L355-L377 VanDerWaalsContact O-N 3.08Å
378	R	87.8	Confident	86.1	Confident	160 Å²	160	67.4 Å²	67.4	60%	0.604	33%	0.325	S	S	*	.			trans	-101.4	100	177.3	-173.9	178.4	174.9	173.6	-2.8	109.2	E375 W376	E375-R378 HydrophobicContact CB-CB 4.4Å; E375-R378 WeakPolarHBondContact O-CB 3.48Å; E375-R378 PolarHBondContact O-N 2.97Å; E375-R378 IonicContact OE2-NH1 2.89Å; W376-R378 PolarHBondContact O-N 2.03Å; W376-R378 VanDerWaalsContact O-N 3.12Å
379	H	87.7	Confident	86.1	Confident	72 Å²	72	67.5 Å²	67.5	33%	0.333	33%	0.325	S	S	.	.			trans	-145.7	158.2	179.1	68.8	89	0	0	0	110.4	I354 D357 C381	I354-H379 PolarHBondContact O-CD2 3.33Å; I354-H379 VanDerWaalsContact O-CD2 3.3Å; D357-H379 HydrophobicContact CB-CB 3.56Å; D357-H379 WeakPolarHBondContact OD2-CA 3.08Å; H379-C381 PolarHBondContact CE1-O 3.2Å; H379-C381 PolarHBondContact ND1-N 2.9Å; H379-C381 PolarHBondContact ND1-O 3.12Å
380	D	86.8	Confident	85.9	Confident	123 Å²	123	66.6 Å²	66.6	66%	0.658	33%	0.325	S	S	*	.			trans	-108.5	3.7	168.3	45.9	-31.1	0	0	0	113.1	K374	K374-D380 IonicContact NZ-OD1 2.74Å; K374-D380 PolarHBondContact NZ-OD1 2.8Å
381	C	87.1	Confident	85.6	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.054	30%	0.3	C	S	.	.			trans	-80.7	162.5	-177.8	-46.7	0	0	0	0	114.9	C317 I354 D357 H379 E385	C317-C381 HydrophobicContact CB-CB 3.69Å; C317-C381 WeakPolarHBondContact CB-SG 3.35Å; C317-C381 WeakPolarHBondContact SG-CB 3.16Å; C317-C381 CovalentContact SG-SG 2.01Å; C317-C381 PolarHBondContact SG-SG 3.25Å; I354-C381 HydrophobicContact CD1-CB 4.34Å; D357-C381 PolarHBondContact OD1-SG 2.95Å; H379-C381 PolarHBondContact CE1-O 3.2Å; H379-C381 PolarHBondContact ND1-N 2.9Å; H379-C381 PolarHBondContact ND1-O 3.12Å; C381-E385 WeakPolarHBondContact CA-OE2 3.42Å; C381-E385 HydrophobicContact CB-CB 4.09Å
382	T	87.4	Confident	84.9	Confident	71 Å²	71	61.6 Å²	61.6	44%	0.436	30%	0.3	S	S	.	.			trans	-110.9	166.4	169	67.4	0	0	0	0	110.5	H384 E385	T382-H384 PolarHBondContact O-N 2.89Å; T382-H384 PolarHBondContact OG1-N 2.64Å; T382-E385 PolarHBondContact N-OE2 2.75Å; T382-E385 WeakPolarHBondContact O-CB 3.42Å; T382-E385 PolarHBondContact O-N 3.05Å; T382-E385 PolarHBondContact OG1-OE2 2.92Å
383	H	85	Confident	83.2	Confident	50 Å²	50	59.7 Å²	59.7	23%	0.231	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.5	-3.7	176.6	-72.1	-57.8	0	0	0	114.7	T315 I349 G352 D386	T315-H383 PolarHBondContact OG1-ND1 2.02Å; I349-H383 HydrophobicContact CG2-CB 3.46Å; I349-H383 VanDerWaalsContact CG2-CB 3.46Å; G352-H383 PolarHBondContact O-CE1 3.29Å; G352-H383 PolarHBondContact O-NE2 2.97Å; H383-D386 IonicContact CG-OD2 3.38Å; H383-D386 IonicContact ND1-OD1 2.7Å; H383-D386 PolarHBondContact ND1-OD1 2.98Å; H383-D386 IonicContact ND1-OD2 3.54Å; H383-D386 PolarHBondContact ND1-OD2 3.28Å
384	H	82.4	Confident	81.2	Confident	123 Å²	123	61.9 Å²	61.9	57%	0.569	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-73.9	-17.2	169	-66.6	-61.7	0	0	0	112.9	T382	T382-H384 PolarHBondContact O-N 2.89Å; T382-H384 PolarHBondContact OG1-N 2.64Å
385	E	85.3	Confident	79.5	Confident	61 Å²	61	65.3 Å²	65.3	29%	0.285	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-104.8	18.3	-178.4	-67.5	153	129.8	0	0	110.7	C317 D318 C381 T382 V387	C317-E385 CarbonylContact C-O 3.59Å; C317-E385 WeakPolarHBondContact CA-O 3.46Å; D318-E385 WeakPolarHBondContact CB-O 3.4Å; D318-E385 PolarHBondContact N-O 3.35Å; D318-E385 WeakPolarHBondContact OD1-CA 3.38Å; D318-E385 VanDerWaalsContact OD1-CB 3.3Å; D318-E385 WeakPolarHBondContact OD1-CB 3.31Å; C381-E385 WeakPolarHBondContact CA-OE2 3.42Å; C381-E385 HydrophobicContact CB-CB 4.09Å; T382-E385 PolarHBondContact N-OE2 2.75Å; T382-E385 WeakPolarHBondContact O-CB 3.42Å; T382-E385 PolarHBondContact O-N 3.05Å; T382-E385 PolarHBondContact OG1-OE2 2.92Å; E385-V387 PolarHBondContact O-N 2.89Å
386	D	86.9	Confident	77.3	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.032	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-70.4	130.3	175.3	-69.5	-27.1	0	0	0	111.1	R304 T315 G350 H383 N388	R304-D386 HydrophobicContact CG-CB 4.13Å; T315-D386 WeakPolarHBondContact CB-OD1 3.42Å; T315-D386 PolarHBondContact OG1-OD1 2.93Å; G350-D386 WeakPolarHBondContact CA-OD2 3.03Å; G350-D386 PolarHBondContact N-OD2 3.22Å; H383-D386 IonicContact CG-OD2 3.38Å; H383-D386 IonicContact ND1-OD1 2.7Å; H383-D386 PolarHBondContact ND1-OD1 2.98Å; H383-D386 IonicContact ND1-OD2 3.54Å; H383-D386 PolarHBondContact ND1-OD2 3.28Å; D386-N388 PolarHBondContact O-N 3.06Å; D386-N388 PolarHBondContact O-ND2 3.37Å
387	V	88.8	Confident	74.9	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.018	35%	0.347	C	S	.	.			trans	-62.7	130.7	179.1	169.6	0	0	0	0	111.8	R304 L305 V316 C317 D318 W321 E385 I389	R304-V387 WeakPolarHBondContact CA-O 2.99Å; L305-V387 HydrophobicContact CB-CB 4.16Å; L305-V387 HydrophobicContact CB-CG1 3.94Å; L305-V387 HydrophobicContact CD2-CB 4.47Å; L305-V387 HydrophobicContact CD2-CG1 4.05Å; L305-V387 PolarHBondContact N-O 2.8Å; V316-V387 HydrophobicContact CB-CG2 4.49Å; V316-V387 HydrophobicContact CG1-CG2 4.38Å; V316-V387 WeakPolarHBondContact O-CG2 3.14Å; V316-V387 PolarHBondContact O-N 3.46Å; C317-V387 VanDerWaalsContact C-CG2 3.5Å; C317-V387 VanDerWaalsContact O-CG2 3.29Å; C317-V387 WeakPolarHBondContact O-CG2 3.2Å; D318-V387 VanDerWaalsContact CA-CG2 3.46Å; D318-V387 HydrophobicContact CB-CG2 3.66Å; W321-V387 HydrophobicContact CB-CG2 4.31Å; W321-V387 HydrophobicContact CD2-CB 4.43Å; W321-V387 HydrophobicContact CD2-CG1 3.86Å; W321-V387 HydrophobicContact CD2-CG2 3.63Å; W321-V387 HydrophobicContact CE3-CG1 4.38Å; W321-V387 HydrophobicContact CE3-CG2 3.68Å; W321-V387 HydrophobicContact CG-CG1 4.29Å; W321-V387 HydrophobicContact CG-CG2 3.92Å; W321-V387 HydrophobicContact CH2-CG1 4.33Å; W321-V387 HydrophobicContact CZ2-CG1 3.82Å; W321-V387 HydrophobicContact CZ3-CG2 4.27Å; E385-V387 PolarHBondContact O-N 2.89Å; V387-I389 HydrophobicContact CG1-CD1 3.79Å; V387-I389 HydrophobicContact CG1-CG1 3.67Å
388	N	85.6	Confident	72.5	Confident	45 Å²	45	66.1 Å²	66.1	24%	0.241	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.4	172.6	-69.1	-92.6	0	0	0	109.8	A344 F347 D386	A344-N388 HydrophobicContact CB-CB 4.42Å; F347-N388 HydrophobicContact CD2-CB 4.19Å; F347-N388 PolarHBondContact N-OD1 2.82Å; F347-N388 VanDerWaalsContact N-OD1 3.12Å; D386-N388 PolarHBondContact O-N 3.06Å; D386-N388 PolarHBondContact O-ND2 3.37Å
389	I	82.9	Confident	69.9	Low	2 Å²	2	67.1 Å²	67.1	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.7	-174.3	-63.2	171.2	0	0	0	110.1	L294 Q302 G303 L305 W321 T326 V329 V387	L294-I389 HydrophobicContact CD2-CB 4.04Å; Q302-I389 CarbonylContact C-O 3.53Å; Q302-I389 VanDerWaalsContact CA-O 3.31Å; Q302-I389 WeakPolarHBondContact CA-O 3.3Å; G303-I389 PolarHBondContact N-O 3.11Å; G303-I389 PolarHBondContact O-N 2.85Å; G303-I389 VanDerWaalsContact O-O 3.1Å; L305-I389 HydrophobicContact CB-CD1 3.97Å; L305-I389 HydrophobicContact CD1-CD1 4.32Å; L305-I389 HydrophobicContact CD2-CD1 3.75Å; L305-I389 HydrophobicContact CG-CD1 4.22Å; W321-I389 HydrophobicContact CH2-CD1 4.49Å; W321-I389 HydrophobicContact CZ2-CD1 3.64Å; T326-I389 HydrophobicContact CG2-CG2 3.74Å; V329-I389 HydrophobicContact CB-CD1 3.96Å; V329-I389 HydrophobicContact CG1-CD1 3.71Å; V329-I389 HydrophobicContact CG2-CD1 4.14Å; V387-I389 HydrophobicContact CG1-CD1 3.79Å; V387-I389 HydrophobicContact CG1-CG1 3.67Å
390	A	78.9	Confident	67.3	Low	30 Å²	30	69 Å²	69	25%	0.248	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.5	164.3	0	0	0	0	0	109.1	Q302	Q302-A390 HydrophobicContact CB-CB 3.9Å
391	C	77.1	Confident	65.1	Low	9 Å²	9	69.3 Å²	69.3	6%	0.061	39%	0.392	C	S	.	.			trans	-99.7	159.9	172.5	-53.4	0	0	0	0	109.3	H301 C330 Y335 S393	H301-C391 HydrophobicContact CB-CB 4.34Å; H301-C391 PolarHBondContact CD2-O 3.46Å; H301-C391 WeakPolarHBondContact O-CB 3.14Å; H301-C391 PolarHBondContact O-N 2.91Å; C330-C391 WeakPolarHBondContact CA-SG 3.44Å; C330-C391 HydrophobicContact CB-CB 3.84Å; C330-C391 WeakPolarHBondContact CB-SG 3.25Å; C330-C391 VanDerWaalsContact SG-CA 3.54Å; C330-C391 WeakPolarHBondContact SG-CB 3.42Å; C330-C391 CovalentContact SG-SG 2.04Å; C330-C391 PolarHBondContact SG-SG 2.81Å; Y335-C391 VanDerWaalsContact CB-CB 3.5Å; Y335-C391 HydrophobicContact CD2-CB 4.15Å; Y335-C391 HydrophobicContact CG-CB 3.94Å; C391-S393 PolarHBondContact O-N 3.11Å
392	S	71.8	Confident	62.5	Low	8 Å²	8	74.6 Å²	74.6	6%	0.056	42%	0.424	C	S	.	.			trans	-69	133.7	177.8	67.7	0	0	0	0	111.2	S336 R338 E394	S336-S392 PolarHBondContact O-N 3.19Å; S336-S392 PolarHBondContact O-OG 2.84Å; S336-S392 PolarHBondContact OG-OG 3.37Å; R338-S392 VanDerWaalsContact O-CB 3.31Å; R338-S392 WeakPolarHBondContact O-CB 3.33Å; S392-E394 PolarHBondContact O-N 2.85Å
393	S	54.2	Low	60.1	Low	83 Å²	83	79.2 Å²	79.2	58%	0.58	43%	0.434	S	S	*	.	S	Bend	trans	-66.7	-13.3	176.3	64.1	0	0	0	0	113	C391 R395	C391-S393 PolarHBondContact O-N 3.11Å; S393-R395 PolarHBondContact O-N 2.86Å
394	E	48.2	Very low	57.9	Low	114 Å²	114	84.8 Å²	84.8	53%	0.533	46%	0.462	S	S	.	.			trans	-66.3	93.4	167.6	-66.5	-179.6	-170.7	0	0	108.8	S392 G396	S392-E394 PolarHBondContact O-N 2.85Å; E394-G396 PolarHBondContact O-N 3.34Å
395	R	48.3	Very low	56.4	Low	129 Å²	129	88.1 Å²	88.1	49%	0.487	47%	0.469	S	S	.	.			trans	-66.4	59.6	161.3	-68.6	-168.4	-158.3	-156.4	6.4	109.6	Y335 S393 A397	Y335-R395 HydrophobicContact CD1-CG 4.27Å; Y335-R395 HydrophobicContact CE1-CG 3.88Å; S393-R395 PolarHBondContact O-N 2.86Å; R395-A397 WeakPolarHBondContact O-CB 2.99Å; R395-A397 PolarHBondContact O-N 2.64Å
396	G	39.6	Very low	55.4	Low	75 Å²	75	86 Å²	86	77%	0.773	46%	0.46	S	S	*	.	S	Bend	trans	47.4	27.3	179.5	0	0	0	0	0	115.2	E394	E394-G396 PolarHBondContact O-N 3.34Å
397	A	36.6	Very low	54.8	Low	73 Å²	73	88.9 Å²	88.9	60%	0.603	48%	0.479	S	S	*	.			trans	-119.9	60.3	-174.5	0	0	0	0	0	108.9	R395	R395-A397 WeakPolarHBondContact O-CB 2.99Å; R395-A397 PolarHBondContact O-N 2.64Å
398	D	34.9	Very low	54.4	Low	143 Å²	143	89.5 Å²	89.5	77%	0.765	48%	0.483	S	S	*	.			trans	178.1	81.7	143.8	-94.5	-22.4	0	0	0	108.8
399	R	31.9	Very low	54.4	Low	181 Å²	181	92.1 Å²	92.1	68%	0.683	49%	0.489	S	S	*	.	S	Bend	trans	-117.9	133.5	144.8	-80.5	-174.2	177	-171.1	-1.5	107.1
400	P	32.9	Very low	54.4	Low	112 Å²	112	93.7 Å²	93.7	73%	0.727	50%	0.497	S	S	*	.	S	Bend	trans	-58.7	154	176.4	26.8	-33.6	0	0	0	110.4	T402	P400-T402 PolarHBondContact O-N 3.19Å
401	P	40.7	Very low	54.6	Low	130 Å²	130	94.3 Å²	94.3	84%	0.844	50%	0.498	S	S	*	.	S	Bend	trans	-68.1	100.9	-134.2	27.9	-34.9	0	0	0	111.9
402	T	32.7	Very low	54.1	Low	118 Å²	118	96.2 Å²	96.2	72%	0.724	52%	0.519	S	S	*	.	S	Bend	trans	-128.7	81.7	161.5	40.9	0	0	0	0	109.5	P400	P400-T402 PolarHBondContact O-N 3.19Å
403	R	38.3	Very low	53.9	Low	169 Å²	169	96.3 Å²	96.3	64%	0.638	52%	0.522	S	S	*	.			trans	67.4	103.7	151.4	-53.3	-170	-178.5	-177.5	-8	117.9	R405 D486	R403-R405 PolarHBondContact O-N 3.35Å; R403-D486 VanDerWaalsContact CB-OD1 3.24Å; R403-D486 WeakPolarHBondContact CB-OD1 3.36Å; R403-D486 WeakPolarHBondContact CD-OD1 3.29Å; R403-D486 IonicContact NE-OD1 3.92Å; R403-D486 VanDerWaalsContact NH1-CB 3.25Å; R403-D486 PolarHBondContact NH1-O 2.96Å; R403-D486 IonicContact NH1-OD1 3.55Å
404	M	38.3	Very low	54.4	Low	167 Å²	167	96.7 Å²	96.7	82%	0.823	51%	0.514	S	S	*	.			trans	-50.3	122.1	168.6	-65.5	177.5	-136.5	0	0	111	I406 A485	M404-I406 PolarHBondContact O-N 3.3Å; M404-A485 WeakPolarHBondContact O-CB 3.25Å
405	R	51	Low	55.4	Low	192 Å²	192	94.1 Å²	94.1	73%	0.725	51%	0.509	S	S	*	.			trans	-77.8	92.9	170.2	-136.6	176.5	77	169.9	6.4	108.6	R403 P407	R403-R405 PolarHBondContact O-N 3.35Å; R405-P407 WeakPolarHBondContact O-CD 3.22Å
406	I	63	Low	56.7	Low	17 Å²	17	92.2 Å²	92.2	9%	0.087	52%	0.516	C	S	.	.			trans	-61.3	120.4	178.3	-60.9	165.2	0	0	0	108.8	M404 V408 L423 L425 Q448 A485	M404-I406 PolarHBondContact O-N 3.3Å; I406-V408 PolarHBondContact O-N 2.82Å; I406-L423 HydrophobicContact CB-CD2 4.34Å; I406-L423 HydrophobicContact CG2-CB 4.05Å; I406-L423 HydrophobicContact CG2-CD2 3.6Å; I406-L423 HydrophobicContact CG2-CG 4.39Å; I406-L425 HydrophobicContact CB-CD2 4.33Å; I406-L425 HydrophobicContact CD1-CD2 3.77Å; I406-L425 HydrophobicContact CG1-CD2 3.72Å; I406-L425 HydrophobicContact CG2-CD2 3.64Å; I406-L425 HydrophobicContact CG2-CG 3.98Å; I406-Q448 PolarHBondContact O-NE2 3.16Å; I406-A485 HydrophobicContact CB-CB 4.39Å; I406-A485 HydrophobicContact CD1-CB 3.41Å; I406-A485 VanDerWaalsContact CD1-CB 3.41Å; I406-A485 HydrophobicContact CG1-CB 3.68Å
407	P	74.4	Confident	58.9	Low	66 Å²	66	94.1 Å²	94.1	43%	0.429	50%	0.499	S	S	.	.			trans	-58.8	137.5	177.5	-22.3	32.1	0	0	0	111.9	R405 L423 F424 W429	R405-P407 WeakPolarHBondContact O-CD 3.22Å; P407-L423 CarbonylContact O-C 3.58Å; P407-L423 WeakPolarHBondContact O-CA 2.96Å; P407-F424 HydrophobicContact CB-CB 3.91Å; P407-F424 HydrophobicContact CG-CB 4.09Å; P407-F424 HydrophobicContact CG-CD1 4.46Å; P407-F424 PolarHBondContact O-N 2.82Å; P407-W429 HydrophobicContact CB-CH2 4.11Å
408	V	82.1	Confident	61.1	Low	17 Å²	17	91.2 Å²	91.2	10%	0.103	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.5	178.7	-178.3	0	0	0	0	109.2	I406 V421 E422 L423 V445 L449 L484	I406-V408 PolarHBondContact O-N 2.82Å; V408-V421 HydrophobicContact CG1-CG1 3.78Å; V408-E422 CarbonylContact C-O 3.59Å; V408-E422 VanDerWaalsContact CA-O 3.32Å; V408-E422 WeakPolarHBondContact CA-O 3.16Å; V408-L423 HydrophobicContact CG2-CD2 3.5Å; V408-V445 HydrophobicContact CG1-CG1 3.91Å; V408-L449 HydrophobicContact CB-CD2 4.31Å; V408-L449 HydrophobicContact CG1-CD2 4.46Å; V408-L449 WeakPolarHBondContact O-CD2 3.49Å; V408-L484 HydrophobicContact CG2-CD1 4.1Å
409	R	83.7	Confident	63.6	Low	99 Å²	99	84.4 Å²	84.4	37%	0.374	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.5	168.1	71	-178	-175.9	-174.1	0.1	111.5	V411 E422 W429	R409-V411 HydrophobicContact CG-CG2 3.92Å; R409-E422 HydrophobicContact CG-CB 3.92Å; R409-E422 IonicContact CZ-OE2 3.95Å; R409-E422 PolarHBondContact N-O 3.43Å; R409-E422 IonicContact NE-OE2 3.11Å; R409-E422 PolarHBondContact NE-OE2 2.49Å; R409-E422 IonicContact NH2-OE2 2.76Å; R409-E422 PolarHBondContact NH2-OE2 2.8Å; R409-E422 PolarHBondContact O-N 2.52Å; R409-W429 HydrophobicContact CB-CH2 3.94Å; R409-W429 HydrophobicContact CB-CZ3 4.02Å; R409-W429 HydrophobicContact CG-CD2 4.37Å; R409-W429 HydrophobicContact CG-CE3 3.82Å; R409-W429 HydrophobicContact CG-CH2 3.82Å; R409-W429 HydrophobicContact CG-CZ2 4.36Å; R409-W429 HydrophobicContact CG-CZ3 3.54Å
410	L	83.7	Confident	66.4	Low	35 Å²	35	76.7 Å²	76.7	18%	0.183	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.3	174.2	-55.4	-176	0	0	0	110	R420 V421 V445 L449 V505	L410-R420 WeakPolarHBondContact CA-O 3.21Å; L410-V421 HydrophobicContact CD2-CG2 4.01Å; L410-V445 HydrophobicContact CD2-CG1 4.22Å; L410-L449 HydrophobicContact CD1-CD1 3.67Å; L410-L449 HydrophobicContact CD2-CD1 3.88Å; L410-L449 HydrophobicContact CG-CD1 3.53Å; L410-V505 HydrophobicContact CD1-CG2 3.78Å; L410-V505 HydrophobicContact CD2-CG2 3.38Å; L410-V505 HydrophobicContact CG-CG2 4.24Å
411	V	82.4	Confident	69.3	Low	43 Å²	43	71.4 Å²	71.4	26%	0.261	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.1	-176.2	-173.8	0	0	0	0	110.5	R409 G413 G419 R420 E422	R409-V411 HydrophobicContact CG-CG2 3.92Å; V411-G413 VanDerWaalsContact C-N 3.3Å; V411-G413 PolarHBondContact O-N 3.33Å; V411-G419 CarbonylContact O-C 3.24Å; V411-G419 WeakPolarHBondContact O-CA 3.46Å; V411-R420 VanDerWaalsContact CG1-NH2 3.34Å; V411-R420 PolarHBondContact N-O 3.29Å; V411-R420 WeakPolarHBondContact O-CB 3.35Å; V411-R420 PolarHBondContact O-N 2.74Å; V411-E422 HydrophobicContact CG2-CG 4.37Å
412	G	68.4	Low	71.6	Confident	49 Å²	49	65.5 Å²	65.5	51%	0.505	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.1	-0.1	176.3	0	0	0	0	0	115.4
413	G	67.5	Low	74	Confident	11 Å²	11	59.9 Å²	59.9	11%	0.113	30%	0.3	C	S	.	.			trans	-76.4	161.5	172.3	0	0	0	0	0	114.6	V411 S415 E418	V411-G413 VanDerWaalsContact C-N 3.3Å; V411-G413 PolarHBondContact O-N 3.33Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-E418 WeakPolarHBondContact CA-O 3.22Å
414	E	64.5	Low	75.5	Confident	90 Å²	90	53.4 Å²	53.4	42%	0.421	28%	0.277	S	S	.	.	S	Bend	trans	-78.7	-21.7	174.7	-63.5	174.1	-133	0	0	112.3	E418 S547 R548	E414-E418 WeakPolarHBondContact CB-OE1 3.15Å; E414-E418 PolarHBondContact N-OE1 3.37Å; E414-S547 VanDerWaalsContact CD-CA 3.45Å; E414-S547 WeakPolarHBondContact OE1-CA 3.48Å; E414-S547 WeakPolarHBondContact OE2-CA 3.1Å; E414-S547 WeakPolarHBondContact OE2-CB 3.33Å; E414-R548 IonicContact OE1-CZ 3.25Å; E414-R548 PolarHBondContact OE1-N 3.24Å; E414-R548 IonicContact OE1-NE 3.28Å; E414-R548 PolarHBondContact OE1-NE 2.76Å; E414-R548 IonicContact OE1-NH2 2.77Å
415	S	68.9	Low	76.7	Confident	60 Å²	60	46.7 Å²	46.7	42%	0.42	24%	0.244	S	C	.	.	S	Bend	trans	-131.7	170.9	177.3	74.5	0	0	0	0	111.6	G413 R417 E418	G413-S415 VanDerWaalsContact C-N 3.33Å; S415-R417 PolarHBondContact O-N 2.99Å; S415-R417 PolarHBondContact OG-N 2.97Å; S415-E418 PolarHBondContact N-OE1 3.4Å
416	S	76.2	Confident	77.1	Confident	90 Å²	90	43.2 Å²	43.2	63%	0.629	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.6	174.1	63	0	0	0	0	113.8	Y451	S416-Y451 PolarHBondContact O-OH 2.81Å; S416-Y451 PolarHBondContact OG-OH 3.4Å
417	R	83.8	Confident	76.5	Confident	114 Å²	114	45 Å²	45	43%	0.43	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.3	-176.1	-54.8	-161.8	179.6	-155	1.1	112.8	S415 Y451 C507 D508	S415-R417 PolarHBondContact O-N 2.99Å; S415-R417 PolarHBondContact OG-N 2.97Å; R417-Y451 HydrophobicContact CB-CE1 4.47Å; R417-Y451 HydrophobicContact CG-CD1 4.27Å; R417-Y451 HydrophobicContact CG-CE1 3.63Å; R417-C507 HydrophobicContact CB-CB 4.24Å; R417-C507 WeakPolarHBondContact O-CB 3.45Å; R417-C507 PolarHBondContact O-N 3.15Å; R417-C507 PolarHBondContact O-SG 3.36Å; R417-D508 WeakPolarHBondContact CD-OD2 3.41Å; R417-D508 IonicContact CZ-OD2 2.82Å; R417-D508 IonicContact NE-OD2 2.73Å; R417-D508 IonicContact NH1-OD2 3.56Å; R417-D508 PolarHBondContact NH1-OD2 2.83Å
418	E	84.6	Confident	76.2	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.056	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.2	-179	70.1	-165	159	0	0	111.9	G413 E414 S415 F463 V505 I506 R548	G413-E418 WeakPolarHBondContact CA-O 3.22Å; E414-E418 WeakPolarHBondContact CB-OE1 3.15Å; E414-E418 PolarHBondContact N-OE1 3.37Å; S415-E418 PolarHBondContact N-OE1 3.4Å; E418-F463 HydrophobicContact CB-CE1 4.05Å; E418-F463 HydrophobicContact CB-CZ 3.9Å; E418-F463 HydrophobicContact CG-CE1 3.93Å; E418-F463 HydrophobicContact CG-CZ 4.3Å; E418-V505 CarbonylContact C-O 3.53Å; E418-V505 WeakPolarHBondContact CA-O 3.46Å; E418-V505 WeakPolarHBondContact CB-O 3.19Å; E418-I506 HydrophobicContact CB-CB 4.28Å; E418-I506 HydrophobicContact CB-CG1 3.99Å; E418-I506 HydrophobicContact CB-CG2 4.26Å; E418-R548 IonicContact OE1-CZ 2.77Å; E418-R548 IonicContact OE1-NH2 3.45Å; E418-R548 PolarHBondContact OE1-NH2 3.34Å; E418-R548 IonicContact OE2-CZ 3.22Å; E418-R548 IonicContact OE2-NH1 3.77Å; E418-R548 PolarHBondContact OE2-NH1 3.09Å; E418-R548 IonicContact OE2-NH2 3.58Å; E418-R548 PolarHBondContact OE2-NH2 3.14Å
419	G	85.6	Confident	76	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	174.8	178.2	0	0	0	0	0	112.4	V411 F463 G504 V505	V411-G419 CarbonylContact O-C 3.24Å; V411-G419 WeakPolarHBondContact O-CA 3.46Å; G419-F463 VanDerWaalsContact CA-CD2 3.5Å; G419-F463 VanDerWaalsContact CA-CG 3.45Å; G419-F463 WeakPolarHBondContact O-CD2 3.41Å; G419-G504 CarbonylContact O-C 3.54Å; G419-G504 VanDerWaalsContact O-CA 3.24Å; G419-G504 WeakPolarHBondContact O-CA 3.42Å; G419-V505 PolarHBondContact N-O 3.49Å; G419-V505 PolarHBondContact O-N 2.01Å
420	R	91.6	Very high	75.9	Confident	20 Å²	20	44.5 Å²	44.5	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.5	166.5	179.2	-179.2	58.4	-106.9	2.3	108.9	L410 V411 E422 F463 G464 E465 G466 D502 A503	L410-R420 WeakPolarHBondContact CA-O 3.21Å; V411-R420 VanDerWaalsContact CG1-NH2 3.34Å; V411-R420 PolarHBondContact N-O 3.29Å; V411-R420 WeakPolarHBondContact O-CB 3.35Å; V411-R420 PolarHBondContact O-N 2.74Å; R420-E422 IonicContact CZ-OE1 2.76Å; R420-E422 VanDerWaalsContact CZ-OE1 3.28Å; R420-E422 IonicContact NE-OE1 3.58Å; R420-E422 PolarHBondContact NE-OE1 2.89Å; R420-E422 IonicContact NH2-OE1 3.76Å; R420-E422 PolarHBondContact NH2-OE1 3.27Å; R420-F463 HydrophobicContact CB-CB 4.12Å; R420-G464 PolarHBondContact NH1-O 3.31Å; R420-E465 PolarHBondContact NH1-O 3.16Å; R420-G466 VanDerWaalsContact CZ-CA 3.47Å; R420-G466 VanDerWaalsContact NE-CA 3.34Å; R420-D502 HydrophobicContact CG-CB 4.1Å; R420-A503 WeakPolarHBondContact CA-O 3.39Å
421	V	93.3	Very high	76.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.6	179.2	-175.3	0	0	0	0	109.1	V408 L410 V432 W437 V445 L484 A503 V505	V408-V421 HydrophobicContact CG1-CG1 3.78Å; L410-V421 HydrophobicContact CD2-CG2 4.01Å; V421-V432 HydrophobicContact CB-CG2 4.16Å; V421-V432 HydrophobicContact CG1-CG2 3.79Å; V421-V432 PolarHBondContact O-N 2.78Å; V421-W437 HydrophobicContact CG2-CZ2 4.01Å; V421-V445 HydrophobicContact CG1-CG1 4.23Å; V421-V445 HydrophobicContact CG1-CG2 4.36Å; V421-V445 HydrophobicContact CG2-CG1 4.16Å; V421-V445 HydrophobicContact CG2-CG2 4.43Å; V421-L484 HydrophobicContact CG1-CD1 4.02Å; V421-A503 PolarHBondContact N-O 2.62Å; V421-V505 HydrophobicContact CG2-CB 4.32Å; V421-V505 HydrophobicContact CG2-CG1 3.6Å; V421-V505 HydrophobicContact CG2-CG2 3.95Å
422	E	90.7	Very high	76.7	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.2	171.7	-67.7	178.9	-171.8	0	0	109.7	V408 R409 V411 R420 W429 G430 T431	V408-E422 CarbonylContact C-O 3.59Å; V408-E422 VanDerWaalsContact CA-O 3.32Å; V408-E422 WeakPolarHBondContact CA-O 3.16Å; R409-E422 HydrophobicContact CG-CB 3.92Å; R409-E422 IonicContact CZ-OE2 3.95Å; R409-E422 PolarHBondContact N-O 3.43Å; R409-E422 IonicContact NE-OE2 3.11Å; R409-E422 PolarHBondContact NE-OE2 2.49Å; R409-E422 IonicContact NH2-OE2 2.76Å; R409-E422 PolarHBondContact NH2-OE2 2.8Å; R409-E422 PolarHBondContact O-N 2.52Å; V411-E422 HydrophobicContact CG2-CG 4.37Å; R420-E422 IonicContact CZ-OE1 2.76Å; R420-E422 VanDerWaalsContact CZ-OE1 3.28Å; R420-E422 IonicContact NE-OE1 3.58Å; R420-E422 PolarHBondContact NE-OE1 2.89Å; R420-E422 IonicContact NH2-OE1 3.76Å; R420-E422 PolarHBondContact NH2-OE1 3.27Å; E422-W429 HydrophobicContact CB-CE3 3.96Å; E422-W429 VanDerWaalsContact O-CZ3 3.29Å; E422-W429 WeakPolarHBondContact O-CZ3 3.49Å; E422-G430 CarbonylContact C-O 3.58Å; E422-G430 VanDerWaalsContact CA-O 3.3Å; E422-G430 WeakPolarHBondContact CA-O 3.46Å; E422-T431 HydrophobicContact CG-CG2 4.14Å
423	L	81.2	Confident	77.9	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.9	178.2	-69.3	164.5	0	0	0	109.9	I406 P407 V408 W429 G430 V432 H471 V472 L484	I406-L423 HydrophobicContact CB-CD2 4.34Å; I406-L423 HydrophobicContact CG2-CB 4.05Å; I406-L423 HydrophobicContact CG2-CD2 3.6Å; I406-L423 HydrophobicContact CG2-CG 4.39Å; P407-L423 CarbonylContact O-C 3.58Å; P407-L423 WeakPolarHBondContact O-CA 2.96Å; V408-L423 HydrophobicContact CG2-CD2 3.5Å; L423-W429 WeakPolarHBondContact O-CA 3.46Å; L423-G430 PolarHBondContact N-O 3.33Å; L423-G430 PolarHBondContact O-N 3.01Å; L423-V432 HydrophobicContact CD1-CG2 3.51Å; L423-V432 HydrophobicContact CG-CG2 3.88Å; L423-H471 PolarHBondContact O-CD2 3.2Å; L423-V472 HydrophobicContact CD1-CB 4.27Å; L423-V472 HydrophobicContact CD1-CG1 3.87Å; L423-V472 HydrophobicContact CD1-CG2 3.36Å; L423-L484 HydrophobicContact CD2-CB 4.3Å; L423-L484 HydrophobicContact CD2-CD1 3.84Å; L423-L484 HydrophobicContact CG-CD1 4.49Å
424	F	71.5	Confident	78.9	Confident	32 Å²	32	38.9 Å²	38.9	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	101.6	171.1	-168.2	-103.6	0	0	0	110.5	P407 G427 W429	P407-F424 HydrophobicContact CB-CB 3.91Å; P407-F424 HydrophobicContact CG-CB 4.09Å; P407-F424 HydrophobicContact CG-CD1 4.46Å; P407-F424 PolarHBondContact O-N 2.82Å; F424-G427 VanDerWaalsContact CE2-C 3.43Å; F424-G427 WeakPolarHBondContact CE2-O 3.39Å; F424-G427 WeakPolarHBondContact CZ-O 3.31Å; F424-W429 HydrophobicContact CB-CD2 4.08Å; F424-W429 HydrophobicContact CB-CE3 3.94Å; F424-W429 HydrophobicContact CB-CH2 3.96Å; F424-W429 HydrophobicContact CB-CZ2 4.09Å; F424-W429 HydrophobicContact CB-CZ3 3.87Å; F424-W429 AromaticContact CD2-CD1 3.77Å; F424-W429 AromaticContact CD2-CD2 3.89Å; F424-W429 HydrophobicContact CD2-CD2 3.89Å; F424-W429 AromaticContact CD2-CE2 3.77Å; F424-W429 AromaticContact CD2-CG 3.92Å; F424-W429 HydrophobicContact CD2-CG 3.92Å; F424-W429 HydrophobicContact CD2-CZ2 4.37Å; F424-W429 AromaticContact CD2-NE1 3.67Å; F424-W429 HydrophobicContact CG-CD2 4.47Å
425	L	62.9	Low	80.1	Confident	27 Å²	27	37.1 Å²	37.1	14%	0.141	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.9	178	-70.9	-178.1	0	0	0	110.5	I406 G427 Q428 H471 V472 P492	I406-L425 HydrophobicContact CB-CD2 4.33Å; I406-L425 HydrophobicContact CD1-CD2 3.77Å; I406-L425 HydrophobicContact CG1-CD2 3.72Å; I406-L425 HydrophobicContact CG2-CD2 3.64Å; I406-L425 HydrophobicContact CG2-CG 3.98Å; L425-G427 PolarHBondContact O-N 3.35Å; L425-G427 VanDerWaalsContact O-N 3.15Å; L425-Q428 PolarHBondContact N-O 2.97Å; L425-Q428 VanDerWaalsContact N-O 3.1Å; L425-Q428 WeakPolarHBondContact O-CG 3.38Å; L425-Q428 PolarHBondContact O-N 3.04Å; L425-Q428 VanDerWaalsContact O-N 3.11Å; L425-H471 HydrophobicContact CD1-CB 3.99Å; L425-H471 PolarHBondContact O-CE1 3.39Å; L425-H471 PolarHBondContact O-NE2 3.09Å; L425-V472 HydrophobicContact CD1-CG1 3.97Å; L425-P492 HydrophobicContact CD1-CB 3.98Å; L425-P492 HydrophobicContact CD1-CG 4.13Å
426	S	59	Low	80.8	Confident	118 Å²	118	36.4 Å²	36.4	83%	0.825	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	38.8	175.9	-53.1	0	0	0	0	113.9	Q428	S426-Q428 VanDerWaalsContact C-N 3.35Å; S426-Q428 PolarHBondContact O-N 2.83Å
427	G	50.5	Low	81.6	Confident	55 Å²	55	32.9 Å²	32.9	57%	0.567	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	3.8	176.5	0	0	0	0	0	115.9	F424 L425	F424-G427 VanDerWaalsContact CE2-C 3.43Å; F424-G427 WeakPolarHBondContact CE2-O 3.39Å; F424-G427 WeakPolarHBondContact CZ-O 3.31Å; L425-G427 PolarHBondContact O-N 3.35Å; L425-G427 VanDerWaalsContact O-N 3.15Å
428	Q	68.2	Low	81.9	Confident	96 Å²	96	30.2 Å²	30.2	45%	0.449	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.3	-178.3	59.3	-175.3	-24.2	0	0	112.4	L425 S426 P469 H471	L425-Q428 PolarHBondContact N-O 2.97Å; L425-Q428 VanDerWaalsContact N-O 3.1Å; L425-Q428 WeakPolarHBondContact O-CG 3.38Å; L425-Q428 PolarHBondContact O-N 3.04Å; L425-Q428 VanDerWaalsContact O-N 3.11Å; S426-Q428 VanDerWaalsContact C-N 3.35Å; S426-Q428 PolarHBondContact O-N 2.83Å; Q428-P469 HydrophobicContact CG-CG 4.06Å; Q428-H471 PolarHBondContact O-NE2 2.77Å
429	W	77.6	Confident	82.2	Confident	75 Å²	75	32.8 Å²	32.8	28%	0.284	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	139.4	168.4	-71.8	99.7	0	0	0	109.9	P407 R409 E422 L423 F424	P407-W429 HydrophobicContact CB-CH2 4.11Å; R409-W429 HydrophobicContact CB-CH2 3.94Å; R409-W429 HydrophobicContact CB-CZ3 4.02Å; R409-W429 HydrophobicContact CG-CD2 4.37Å; R409-W429 HydrophobicContact CG-CE3 3.82Å; R409-W429 HydrophobicContact CG-CH2 3.82Å; R409-W429 HydrophobicContact CG-CZ2 4.36Å; R409-W429 HydrophobicContact CG-CZ3 3.54Å; E422-W429 HydrophobicContact CB-CE3 3.96Å; E422-W429 VanDerWaalsContact O-CZ3 3.29Å; E422-W429 WeakPolarHBondContact O-CZ3 3.49Å; L423-W429 WeakPolarHBondContact O-CA 3.46Å; F424-W429 HydrophobicContact CB-CD2 4.08Å; F424-W429 HydrophobicContact CB-CE3 3.94Å; F424-W429 HydrophobicContact CB-CH2 3.96Å; F424-W429 HydrophobicContact CB-CZ2 4.09Å; F424-W429 HydrophobicContact CB-CZ3 3.87Å; F424-W429 AromaticContact CD2-CD1 3.77Å; F424-W429 AromaticContact CD2-CD2 3.89Å; F424-W429 HydrophobicContact CD2-CD2 3.89Å; F424-W429 AromaticContact CD2-CE2 3.77Å; F424-W429 AromaticContact CD2-CG 3.92Å; F424-W429 HydrophobicContact CD2-CG 3.92Å; F424-W429 HydrophobicContact CD2-CZ2 4.37Å; F424-W429 AromaticContact CD2-NE1 3.67Å; F424-W429 HydrophobicContact CG-CD2 4.47Å
430	G	82.3	Confident	82.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	162.4	177.1	0	0	0	0	0	111	E422 L423 P469 H471	E422-G430 CarbonylContact C-O 3.58Å; E422-G430 VanDerWaalsContact CA-O 3.3Å; E422-G430 WeakPolarHBondContact CA-O 3.46Å; L423-G430 PolarHBondContact N-O 3.33Å; L423-G430 PolarHBondContact O-N 3.01Å; G430-P469 CarbonylContact C-O 3.12Å; G430-P469 WeakPolarHBondContact CA-O 3.46Å; G430-H471 WeakPolarHBondContact CA-CD2 3.02Å; G430-H471 PolarHBondContact N-CD2 2.89Å; G430-H471 PolarHBondContact N-NE2 2.94Å
431	T	90.8	Very high	82.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	170.1	-168.9	60	0	0	0	0	111.9	E422 P469 I470 H471 H499 D502	E422-T431 HydrophobicContact CG-CG2 4.14Å; T431-P469 PolarHBondContact N-O 2.89Å; T431-I470 CarbonylContact O-C 3.52Å; T431-I470 WeakPolarHBondContact OG1-CG1 3.32Å; T431-H471 PolarHBondContact O-N 3.37Å; T431-H499 PolarHBondContact OG1-ND1 3.27Å; T431-D502 WeakPolarHBondContact CB-OD1 3.35Å; T431-D502 WeakPolarHBondContact CG2-OD2 3.45Å; T431-D502 PolarHBondContact OG1-OD1 3.39Å
432	V	92.4	Very high	82.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.5	174.3	179.8	0	0	0	0	108.1	V421 L423 W437 V472 V475 D502 A503	V421-V432 HydrophobicContact CB-CG2 4.16Å; V421-V432 HydrophobicContact CG1-CG2 3.79Å; V421-V432 PolarHBondContact O-N 2.78Å; L423-V432 HydrophobicContact CD1-CG2 3.51Å; L423-V432 HydrophobicContact CG-CG2 3.88Å; V432-W437 HydrophobicContact CG1-CE3 3.81Å; V432-W437 HydrophobicContact CG1-CH2 3.98Å; V432-W437 HydrophobicContact CG1-CZ3 3.44Å; V432-W437 VanDerWaalsContact CG1-CZ3 3.44Å; V432-V472 HydrophobicContact CB-CG2 4.15Å; V432-V472 HydrophobicContact CG1-CG2 3.74Å; V432-V472 HydrophobicContact CG2-CG2 3.81Å; V432-V475 HydrophobicContact CG1-CG2 3.99Å; V432-D502 CarbonylContact O-C 3.55Å; V432-D502 WeakPolarHBondContact O-CA 3.26Å; V432-A503 HydrophobicContact CB-CB 4.11Å; V432-A503 HydrophobicContact CG1-CB 4.11Å; V432-A503 WeakPolarHBondContact O-CB 3.39Å; V432-A503 PolarHBondContact O-N 3.36Å
433	C	92.1	Very high	82.5	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-74.3	143.9	172.7	-175.5	0	0	0	0	111.6	D435 I470 V472 D473 C497 E501	C433-D435 VanDerWaalsContact C-N 3.32Å; C433-D435 PolarHBondContact SG-N 2.61Å; C433-I470 HydrophobicContact CB-CG2 4.1Å; C433-V472 PolarHBondContact N-O 2.8Å; C433-D473 HydrophobicContact CB-CB 4.03Å; C433-D473 WeakPolarHBondContact CB-OD1 3.06Å; C433-C497 HydrophobicContact CB-CB 3.72Å; C433-C497 WeakPolarHBondContact CB-SG 3.39Å; C433-C497 WeakPolarHBondContact SG-CB 3.44Å; C433-C497 CovalentContact SG-SG 2.01Å; C433-C497 PolarHBondContact SG-SG 3.34Å; C433-E501 CarbonylContact C-O 3.53Å
434	D	89.7	Confident	82.9	Confident	20 Å²	20	39.9 Å²	39.9	11%	0.107	23%	0.232	C	C	.	.			trans	-82.6	-2.7	179.9	70.8	-1.7	0	0	0	114.8	G436 W437 V459 M460 E501 A503	D434-G436 PolarHBondContact O-N 2.8Å; D434-W437 HydrophobicContact CB-CB 4.27Å; D434-W437 WeakPolarHBondContact O-CB 3.38Å; D434-W437 PolarHBondContact O-N 3.09Å; D434-V459 HydrophobicContact CB-CB 3.84Å; D434-V459 HydrophobicContact CB-CG1 3.89Å; D434-V459 WeakPolarHBondContact OD2-CB 3.22Å; D434-M460 WeakPolarHBondContact OD2-CA 3.33Å; D434-M460 PolarHBondContact OD2-N 3.48Å; D434-E501 VanDerWaalsContact CB-O 3.3Å; D434-E501 WeakPolarHBondContact CB-O 3.5Å; D434-E501 PolarHBondContact N-O 2.78Å; D434-E501 WeakPolarHBondContact OD1-CB 3.46Å; D434-A503 HydrophobicContact CB-CB 4.14Å
435	D	88.7	Confident	83.8	Confident	52 Å²	52	38.4 Å²	38.4	28%	0.278	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	109.6	174.5	-93.5	3.5	0	0	0	110.5	C433 W437 D473 N474	C433-D435 VanDerWaalsContact C-N 3.32Å; C433-D435 PolarHBondContact SG-N 2.61Å; D435-W437 VanDerWaalsContact C-N 3.27Å; D435-W437 PolarHBondContact O-N 3.33Å; D435-D473 WeakPolarHBondContact CB-OD1 3.38Å; D435-N474 WeakPolarHBondContact O-CA 3.47Å
436	G	83.9	Confident	85.1	Confident	45 Å²	45	37.1 Å²	37.1	46%	0.464	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	13.9	-176.9	0	0	0	0	0	114.7	D434 T438	D434-G436 PolarHBondContact O-N 2.8Å; G436-T438 WeakPolarHBondContact O-CG2 3.25Å; G436-T438 PolarHBondContact O-N 2.72Å
437	W	93.4	Very high	86.3	Confident	16 Å²	16	35.4 Å²	35.4	6%	0.061	19%	0.194	C	C	.	.			trans	-73.6	120.7	-179.7	-169	-109	0	0	0	112.3	V421 V432 D434 D435 D441 V445 A457 V475 L484 A503 G504 V505	V421-W437 HydrophobicContact CG2-CZ2 4.01Å; V432-W437 HydrophobicContact CG1-CE3 3.81Å; V432-W437 HydrophobicContact CG1-CH2 3.98Å; V432-W437 HydrophobicContact CG1-CZ3 3.44Å; V432-W437 VanDerWaalsContact CG1-CZ3 3.44Å; D434-W437 HydrophobicContact CB-CB 4.27Å; D434-W437 WeakPolarHBondContact O-CB 3.38Å; D434-W437 PolarHBondContact O-N 3.09Å; D435-W437 VanDerWaalsContact C-N 3.27Å; D435-W437 PolarHBondContact O-N 3.33Å; W437-D441 HydrophobicContact CD2-CB 3.99Å; W437-D441 HydrophobicContact CE3-CB 3.78Å; W437-D441 HydrophobicContact CH2-CB 4Å; W437-D441 HydrophobicContact CZ2-CB 4.2Å; W437-D441 HydrophobicContact CZ3-CB 3.78Å; W437-V445 HydrophobicContact CH2-CG2 3.69Å; W437-V445 HydrophobicContact CZ2-CG2 3.77Å; W437-A457 HydrophobicContact CG-CB 4.5Å; W437-V475 HydrophobicContact CE3-CB 3.97Å; W437-V475 HydrophobicContact CE3-CG1 4.5Å; W437-V475 HydrophobicContact CE3-CG2 4.37Å; W437-V475 HydrophobicContact CZ3-CB 3.76Å; W437-V475 HydrophobicContact CZ3-CG1 3.94Å; W437-V475 HydrophobicContact CZ3-CG2 3.96Å; W437-L484 HydrophobicContact CH2-CD1 4.21Å; W437-L484 HydrophobicContact CH2-CD2 3.69Å; W437-L484 HydrophobicContact CZ3-CD2 3.91Å; W437-A503 HydrophobicContact CB-CB 4.48Å; W437-A503 HydrophobicContact CD2-CB 3.68Å; W437-A503 HydrophobicContact CE3-CB 4.25Å; W437-A503 HydrophobicContact CG-CB 3.77Å; W437-A503 HydrophobicContact CZ2-CB 4.3Å; W437-G504 PolarHBondContact NE1-O 2.82Å; W437-G504 VanDerWaalsContact NE1-O 3.15Å; W437-V505 HydrophobicContact CZ2-CG1 3.87Å
438	T	90.8	Very high	87.9	Confident	59 Å²	59	33.8 Å²	33.8	36%	0.362	17%	0.172	S	C	.	.			trans	-122.2	166.7	-172.2	71.3	0	0	0	0	113.1	G436 Q440 D441 A442 A457	G436-T438 WeakPolarHBondContact O-CG2 3.25Å; G436-T438 PolarHBondContact O-N 2.72Å; T438-Q440 PolarHBondContact O-N 3.49Å; T438-Q440 PolarHBondContact OG1-N 2.93Å; T438-D441 WeakPolarHBondContact CA-OD2 2.96Å; T438-D441 WeakPolarHBondContact CB-OD2 2.89Å; T438-D441 PolarHBondContact N-OD2 2.88Å; T438-D441 WeakPolarHBondContact O-CB 3.19Å; T438-D441 PolarHBondContact O-N 3.47Å; T438-D441 PolarHBondContact OG1-N 3.38Å; T438-D441 PolarHBondContact OG1-OD2 3.36Å; T438-A442 PolarHBondContact O-N 3.38Å; T438-A457 WeakPolarHBondContact O-CB 2.99Å
439	D	90.8	Very high	88.5	Confident	65 Å²	65	32 Å²	32	35%	0.348	16%	0.164	S	C	.	.	H	α-helix	trans	-59.1	-26.5	175	-67.8	-18	0	0	0	112.3	A442 E443 K456 A457	D439-A442 PolarHBondContact O-N 3.29Å; D439-E443 PolarHBondContact O-N 3.47Å; D439-K456 WeakPolarHBondContact OD1-CD 3.46Å; D439-K456 IonicContact OD1-NZ 3.31Å; D439-K456 IonicContact OD2-NZ 3.76Å; D439-K456 PolarHBondContact OD2-NZ 3.02Å; D439-A457 WeakPolarHBondContact OD1-CB 3.08Å; D439-A457 PolarHBondContact OD1-N 2.78Å
440	Q	90.6	Very high	88.7	Confident	101 Å²	101	31.1 Å²	31.1	47%	0.472	18%	0.179	S	C	.	.	H	α-helix	trans	-69.5	-40.7	174.2	-66.5	173.7	14.6	0	0	111.5	T438 A442 E443 V444 C477	T438-Q440 PolarHBondContact O-N 3.49Å; T438-Q440 PolarHBondContact OG1-N 2.93Å; Q440-A442 VanDerWaalsContact C-N 3.32Å; Q440-E443 PolarHBondContact O-N 2.78Å; Q440-V444 PolarHBondContact O-N 3.14Å; Q440-V444 VanDerWaalsContact O-N 3.16Å; Q440-C477 PolarHBondContact OE1-O 3.35Å
441	D	92.4	Very high	88.7	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-44.2	173.4	-53.7	-66.4	0	0	0	110.5	W437 T438 E443 V444 V445 C477	W437-D441 HydrophobicContact CD2-CB 3.99Å; W437-D441 HydrophobicContact CE3-CB 3.78Å; W437-D441 HydrophobicContact CH2-CB 4Å; W437-D441 HydrophobicContact CZ2-CB 4.2Å; W437-D441 HydrophobicContact CZ3-CB 3.78Å; T438-D441 WeakPolarHBondContact CA-OD2 2.96Å; T438-D441 WeakPolarHBondContact CB-OD2 2.89Å; T438-D441 PolarHBondContact N-OD2 2.88Å; T438-D441 WeakPolarHBondContact O-CB 3.19Å; T438-D441 PolarHBondContact O-N 3.47Å; T438-D441 PolarHBondContact OG1-N 3.38Å; T438-D441 PolarHBondContact OG1-OD2 3.36Å; D441-E443 VanDerWaalsContact C-N 3.28Å; D441-E443 PolarHBondContact O-N 3.07Å; D441-V444 PolarHBondContact O-N 2.77Å; D441-V445 VanDerWaalsContact O-CG2 3.25Å; D441-V445 WeakPolarHBondContact O-CG2 3.48Å; D441-V445 PolarHBondContact O-N 3.35Å; D441-C477 HydrophobicContact CB-CB 4.48Å; D441-C477 WeakPolarHBondContact OD1-CB 3.37Å; D441-C477 PolarHBondContact OD1-N 2.92Å; D441-C477 PolarHBondContact OD1-SG 3.41Å
442	A	92.1	Very high	88	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-38.5	175.8	0	0	0	0	0	112.5	T438 D439 Q440 V445 C446 A455 A457 V505	T438-A442 PolarHBondContact O-N 3.38Å; D439-A442 PolarHBondContact O-N 3.29Å; Q440-A442 VanDerWaalsContact C-N 3.32Å; A442-V445 WeakPolarHBondContact O-CB 3.43Å; A442-V445 PolarHBondContact O-N 2.71Å; A442-C446 WeakPolarHBondContact O-CB 2.83Å; A442-C446 PolarHBondContact O-N 3.49Å; A442-C446 PolarHBondContact O-SG 3.08Å; A442-C446 VanDerWaalsContact O-SG 3.33Å; A442-A455 VanDerWaalsContact C-CB 3.46Å; A442-A455 HydrophobicContact CB-CB 3.89Å; A442-A455 WeakPolarHBondContact O-CB 3.48Å; A442-A457 HydrophobicContact CB-CB 4.05Å; A442-V505 HydrophobicContact CB-CB 4.11Å; A442-V505 HydrophobicContact CB-CG1 3.53Å
443	E	91.1	Very high	87.3	Confident	76 Å²	76	45.4 Å²	45.4	36%	0.355	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-42	178.1	-157.6	-172.3	151.6	0	0	111.5	D439 Q440 D441 V445 C446 R447 A455	D439-E443 PolarHBondContact O-N 3.47Å; Q440-E443 PolarHBondContact O-N 2.78Å; D441-E443 VanDerWaalsContact C-N 3.28Å; D441-E443 PolarHBondContact O-N 3.07Å; E443-V445 VanDerWaalsContact C-N 3.33Å; E443-V445 PolarHBondContact O-N 2.92Å; E443-C446 PolarHBondContact O-N 2.82Å; E443-R447 WeakPolarHBondContact O-CB 3.19Å; E443-R447 PolarHBondContact O-N 3.26Å; E443-R447 IonicContact OE1-CZ 3.34Å; E443-R447 IonicContact OE1-NH2 3.84Å; E443-R447 PolarHBondContact OE1-NH2 3.25Å; E443-R447 IonicContact OE2-NH2 2.74Å; E443-A455 HydrophobicContact CB-CB 4.19Å
444	V	90.4	Very high	86.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-42	174	174.9	0	0	0	0	111	Q440 D441 Q448 C477 E481	Q440-V444 PolarHBondContact O-N 3.14Å; Q440-V444 VanDerWaalsContact O-N 3.16Å; D441-V444 PolarHBondContact O-N 2.77Å; V444-Q448 WeakPolarHBondContact O-CB 3.43Å; V444-Q448 PolarHBondContact O-N 3.33Å; V444-C477 HydrophobicContact CB-CB 4.46Å; V444-C477 HydrophobicContact CG2-CB 3.79Å; V444-E481 HydrophobicContact CG1-CB 3.92Å; V444-E481 HydrophobicContact CG2-CB 3.87Å
445	V	91	Very high	87	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-52.3	174.9	179.7	0	0	0	0	111.5	V408 L410 V421 W437 D441 A442 E443 R447 Q448 L449 L484 V505	V408-V445 HydrophobicContact CG1-CG1 3.91Å; L410-V445 HydrophobicContact CD2-CG1 4.22Å; V421-V445 HydrophobicContact CG1-CG1 4.23Å; V421-V445 HydrophobicContact CG1-CG2 4.36Å; V421-V445 HydrophobicContact CG2-CG1 4.16Å; V421-V445 HydrophobicContact CG2-CG2 4.43Å; W437-V445 HydrophobicContact CH2-CG2 3.69Å; W437-V445 HydrophobicContact CZ2-CG2 3.77Å; D441-V445 VanDerWaalsContact O-CG2 3.25Å; D441-V445 WeakPolarHBondContact O-CG2 3.48Å; D441-V445 PolarHBondContact O-N 3.35Å; A442-V445 WeakPolarHBondContact O-CB 3.43Å; A442-V445 PolarHBondContact O-N 2.71Å; E443-V445 VanDerWaalsContact C-N 3.33Å; E443-V445 PolarHBondContact O-N 2.92Å; V445-R447 VanDerWaalsContact C-N 3.31Å; V445-R447 PolarHBondContact O-N 3.21Å; V445-Q448 WeakPolarHBondContact O-CB 3.43Å; V445-Q448 PolarHBondContact O-N 2.93Å; V445-L449 HydrophobicContact CG1-CD1 3.95Å; V445-L449 WeakPolarHBondContact O-CG 3.21Å; V445-L449 PolarHBondContact O-N 3.43Å; V445-L484 HydrophobicContact CG2-CD1 3.46Å; V445-L484 VanDerWaalsContact CG2-CD1 3.46Å; V445-L484 HydrophobicContact CG2-CD2 3.88Å; V445-L484 HydrophobicContact CG2-CG 3.74Å; V445-V505 HydrophobicContact CB-CG1 4.15Å; V445-V505 HydrophobicContact CB-CG2 4.46Å; V445-V505 HydrophobicContact CG1-CG1 4.31Å; V445-V505 HydrophobicContact CG1-CG2 3.92Å; V445-V505 HydrophobicContact CG2-CG1 4.21Å
446	C	89.1	Confident	87.1	Confident	1 Å²	1	48 Å²	48	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-41.3	-177.4	-72.8	0	0	0	0	111.4	A442 E443 L449 G450 Y451 A455 C507	A442-C446 WeakPolarHBondContact O-CB 2.83Å; A442-C446 PolarHBondContact O-N 3.49Å; A442-C446 PolarHBondContact O-SG 3.08Å; A442-C446 VanDerWaalsContact O-SG 3.33Å; E443-C446 PolarHBondContact O-N 2.82Å; C446-L449 CarbonylContact O-C 3.44Å; C446-L449 PolarHBondContact O-N 3.17Å; C446-G450 PolarHBondContact O-N 3.24Å; C446-G450 VanDerWaalsContact O-N 3.12Å; C446-Y451 WeakPolarHBondContact O-CB 3.21Å; C446-Y451 PolarHBondContact O-N 2.97Å; C446-A455 HydrophobicContact CB-CB 4Å; C446-A455 VanDerWaalsContact SG-CB 3.57Å; C446-C507 WeakPolarHBondContact CA-SG 3.32Å; C446-C507 HydrophobicContact CB-CB 3.66Å; C446-C507 WeakPolarHBondContact CB-SG 3.42Å; C446-C507 WeakPolarHBondContact SG-CA 3.27Å; C446-C507 WeakPolarHBondContact SG-CB 3.43Å; C446-C507 CovalentContact SG-SG 2.03Å; C446-C507 PolarHBondContact SG-SG 2.77Å
447	R	85.4	Confident	87.4	Confident	81 Å²	81	46.4 Å²	46.4	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-42.3	174.1	-169.2	-177.2	-52.1	126.4	1.4	112.5	E443 V445 L449 G450 Y451 G479 E481	E443-R447 WeakPolarHBondContact O-CB 3.19Å; E443-R447 PolarHBondContact O-N 3.26Å; E443-R447 IonicContact OE1-CZ 3.34Å; E443-R447 IonicContact OE1-NH2 3.84Å; E443-R447 PolarHBondContact OE1-NH2 3.25Å; E443-R447 IonicContact OE2-NH2 2.74Å; V445-R447 VanDerWaalsContact C-N 3.31Å; V445-R447 PolarHBondContact O-N 3.21Å; R447-L449 PolarHBondContact O-N 2.86Å; R447-G450 WeakPolarHBondContact O-CA 3.48Å; R447-G450 PolarHBondContact O-N 2.63Å; R447-Y451 WeakPolarHBondContact CA-O 3.25Å; R447-G479 PolarHBondContact NH1-O 3.3Å; R447-G479 PolarHBondContact NH2-O 3.47Å; R447-E481 PolarHBondContact NH1-O 3.44Å
448	Q	82.5	Confident	87.2	Confident	22 Å²	22	46 Å²	46	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-33.2	176.3	-176.8	176	-9	0	0	112	I406 V444 V445 G450	I406-Q448 PolarHBondContact O-NE2 3.16Å; V444-Q448 WeakPolarHBondContact O-CB 3.43Å; V444-Q448 PolarHBondContact O-N 3.33Å; V445-Q448 WeakPolarHBondContact O-CB 3.43Å; V445-Q448 PolarHBondContact O-N 2.93Å; Q448-G450 VanDerWaalsContact C-N 3.28Å
449	L	80.7	Confident	87.1	Confident	57 Å²	57	45.1 Å²	45.1	30%	0.298	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4	173.9	-66.9	169.3	0	0	0	113.7	V408 L410 V445 C446 R447 Y451	V408-L449 HydrophobicContact CB-CD2 4.31Å; V408-L449 HydrophobicContact CG1-CD2 4.46Å; V408-L449 WeakPolarHBondContact O-CD2 3.49Å; L410-L449 HydrophobicContact CD1-CD1 3.67Å; L410-L449 HydrophobicContact CD2-CD1 3.88Å; L410-L449 HydrophobicContact CG-CD1 3.53Å; V445-L449 HydrophobicContact CG1-CD1 3.95Å; V445-L449 WeakPolarHBondContact O-CG 3.21Å; V445-L449 PolarHBondContact O-N 3.43Å; C446-L449 CarbonylContact O-C 3.44Å; C446-L449 PolarHBondContact O-N 3.17Å; R447-L449 PolarHBondContact O-N 2.86Å; L449-Y451 HydrophobicContact CB-CD2 3.76Å; L449-Y451 HydrophobicContact CB-CE2 3.76Å; L449-Y451 HydrophobicContact CD1-CE2 4.41Å
450	G	82.1	Confident	86.7	Confident	57 Å²	57	45.4 Å²	45.4	59%	0.588	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.5	6.1	176.3	0	0	0	0	0	115.5	C446 R447 Q448	C446-G450 PolarHBondContact O-N 3.24Å; C446-G450 VanDerWaalsContact O-N 3.12Å; R447-G450 WeakPolarHBondContact O-CA 3.48Å; R447-G450 PolarHBondContact O-N 2.63Å; Q448-G450 VanDerWaalsContact C-N 3.28Å
451	Y	83.6	Confident	86.4	Confident	42 Å²	42	41 Å²	41	17%	0.165	22%	0.216	C	C	.	.			trans	-82.7	154	173.6	-54.4	-65.7	0	0	0	111.1	S416 R417 C446 R447 L449 C507 D508	S416-Y451 PolarHBondContact O-OH 2.81Å; S416-Y451 PolarHBondContact OG-OH 3.4Å; R417-Y451 HydrophobicContact CB-CE1 4.47Å; R417-Y451 HydrophobicContact CG-CD1 4.27Å; R417-Y451 HydrophobicContact CG-CE1 3.63Å; C446-Y451 WeakPolarHBondContact O-CB 3.21Å; C446-Y451 PolarHBondContact O-N 2.97Å; R447-Y451 WeakPolarHBondContact CA-O 3.25Å; L449-Y451 HydrophobicContact CB-CD2 3.76Å; L449-Y451 HydrophobicContact CB-CE2 3.76Å; L449-Y451 HydrophobicContact CD1-CE2 4.41Å; Y451-C507 HydrophobicContact CD2-CB 3.63Å; Y451-C507 WeakPolarHBondContact CD2-SG 3.33Å; Y451-C507 HydrophobicContact CE2-CB 4.33Å; Y451-C507 HydrophobicContact CG-CB 3.75Å; Y451-D508 WeakPolarHBondContact CD1-OD2 3.39Å
452	R	76.3	Confident	85.9	Confident	242 Å²	242	41.1 Å²	41.1	91%	0.913	22%	0.216	S	C	*	.			trans	-131.9	-10.9	-169.7	-66	-170.7	-179.3	-175.1	1.3	114.8	D508	R452-D508 PolarHBondContact N-OD1 2.74Å
453	G	77.6	Confident	85.3	Confident	17 Å²	17	42.1 Å²	42.1	18%	0.175	22%	0.22	C	C	.	.	S	Bend	trans	-79.2	176.5	172.6	0	0	0	0	0	111.8	D508	G453-D508 VanDerWaalsContact CA-OD1 3.24Å; G453-D508 WeakPolarHBondContact CA-OD1 3.37Å; G453-D508 PolarHBondContact N-OD1 3.24Å
454	A	83.8	Confident	84.8	Confident	59 Å²	59	40 Å²	40	49%	0.488	22%	0.22	S	C	.	.			trans	-58.8	151.5	177.5	0	0	0	0	0	110.7	D508 Y509	A454-D508 CarbonylContact O-C 3.52Å; A454-D508 VanDerWaalsContact O-CA 3.26Å; A454-D508 WeakPolarHBondContact O-CA 3.31Å; A454-D508 PolarHBondContact O-N 2.85Å; A454-Y509 WeakPolarHBondContact CB-O 3.38Å; A454-Y509 WeakPolarHBondContact O-CB 3.38Å; A454-Y509 PolarHBondContact O-N 2.78Å
455	A	89.9	Confident	84.4	Confident	9 Å²	9	45.9 Å²	45.9	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.6	178.3	0	0	0	0	0	110.3	A442 E443 C446 I506	A442-A455 VanDerWaalsContact C-CB 3.46Å; A442-A455 HydrophobicContact CB-CB 3.89Å; A442-A455 WeakPolarHBondContact O-CB 3.48Å; E443-A455 HydrophobicContact CB-CB 4.19Å; C446-A455 HydrophobicContact CB-CB 4Å; C446-A455 VanDerWaalsContact SG-CB 3.57Å; A455-I506 CarbonylContact C-O 3.6Å; A455-I506 VanDerWaalsContact CA-O 3.27Å; A455-I506 WeakPolarHBondContact CA-O 3.29Å
456	K	91.1	Very high	83.9	Confident	58 Å²	58	46.2 Å²	46.2	25%	0.252	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.8	174.1	-165.4	70.6	-177.1	168.2	0	111.1	D439 V505 I506 Y509	D439-K456 WeakPolarHBondContact OD1-CD 3.46Å; D439-K456 IonicContact OD1-NZ 3.31Å; D439-K456 IonicContact OD2-NZ 3.76Å; D439-K456 PolarHBondContact OD2-NZ 3.02Å; K456-V505 CarbonylContact O-C 3.58Å; K456-V505 VanDerWaalsContact O-CA 3.29Å; K456-V505 WeakPolarHBondContact O-CA 3.46Å; K456-I506 HydrophobicContact CB-CB 4.36Å; K456-I506 PolarHBondContact N-O 3.25Å; K456-I506 PolarHBondContact O-N 2.96Å; K456-Y509 HydrophobicContact CB-CD1 3.72Å; K456-Y509 HydrophobicContact CB-CD2 3.62Å; K456-Y509 HydrophobicContact CB-CE1 3.76Å; K456-Y509 HydrophobicContact CB-CE2 3.71Å; K456-Y509 HydrophobicContact CB-CG 3.58Å; K456-Y509 HydrophobicContact CD-CD1 4.03Å; K456-Y509 HydrophobicContact CD-CE1 3.45Å; K456-Y509 VanDerWaalsContact CD-CE1 3.45Å; K456-Y509 HydrophobicContact CG-CD1 4.21Å; K456-Y509 HydrophobicContact CG-CD2 4.33Å; K456-Y509 HydrophobicContact CG-CE1 3.72Å; K456-Y509 HydrophobicContact CG-CE2 3.91Å; K456-Y509 HydrophobicContact CG-CG 4.43Å
457	A	90.8	Very high	83.4	Confident	13 Å²	13	51.8 Å²	51.8	11%	0.107	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.8	169.8	0	0	0	0	0	110.9	W437 T438 D439 A442	W437-A457 HydrophobicContact CG-CB 4.5Å; T438-A457 WeakPolarHBondContact O-CB 2.99Å; D439-A457 WeakPolarHBondContact OD1-CB 3.08Å; D439-A457 PolarHBondContact OD1-N 2.78Å; A442-A457 HydrophobicContact CB-CB 4.05Å
458	R	89.9	Confident	83.3	Confident	6 Å²	6	50.3 Å²	50.3	2%	0.023	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.5	171.8	-65	-61.8	-175.9	-178.5	1.8	109	Y462 F463 G504 I506 Y509 P609	R458-Y462 HydrophobicContact CB-CD1 4.06Å; R458-Y462 HydrophobicContact CB-CG 3.94Å; R458-Y462 HydrophobicContact CG-CD1 3.9Å; R458-Y462 HydrophobicContact CG-CE1 4.23Å; R458-Y462 HydrophobicContact CG-CG 4.11Å; R458-F463 HydrophobicContact CB-CE2 3.94Å; R458-F463 HydrophobicContact CG-CE2 3.92Å; R458-F463 HydrophobicContact CG-CZ 4.29Å; R458-G504 PolarHBondContact N-O 2.72Å; R458-G504 PolarHBondContact O-N 2.77Å; R458-I506 HydrophobicContact CG-CD1 4.18Å; R458-I506 HydrophobicContact CG-CG1 4.27Å; R458-Y509 PolarHBondContact NH2-OH 3.47Å; R458-P609 PolarHBondContact NH1-O 2.68Å
459	V	88.9	Confident	83.3	Confident	42 Å²	42	51.1 Å²	51.1	26%	0.255	30%	0.302	S	S	.	.			trans	-122.7	175.3	-173.7	-57.7	0	0	0	0	109.4	D434 A461 Y462 V608	D434-V459 HydrophobicContact CB-CB 3.84Å; D434-V459 HydrophobicContact CB-CG1 3.89Å; D434-V459 WeakPolarHBondContact OD2-CB 3.22Å; V459-A461 PolarHBondContact O-N 3.14Å; V459-Y462 WeakPolarHBondContact O-CB 3.42Å; V459-Y462 PolarHBondContact O-N 2.8Å; V459-V608 HydrophobicContact CG2-CG2 3.87Å
460	M	82.1	Confident	83.6	Confident	71 Å²	71	48.7 Å²	48.7	35%	0.35	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	38.5	176.1	-59.9	-175	179.6	0	0	114.5	D434 Y462 S500 L607 V608	D434-M460 WeakPolarHBondContact OD2-CA 3.33Å; D434-M460 PolarHBondContact OD2-N 3.48Å; M460-Y462 VanDerWaalsContact C-N 3.27Å; M460-Y462 PolarHBondContact O-N 3.49Å; M460-S500 CarbonylContact C-O 3.47Å; M460-S500 VanDerWaalsContact C-O 3.23Å; M460-S500 VanDerWaalsContact CA-O 3.27Å; M460-S500 WeakPolarHBondContact CA-O 3.42Å; M460-L607 HydrophobicContact SD-CB 3.79Å; M460-L607 HydrophobicContact SD-CD1 4.02Å; M460-V608 HydrophobicContact CB-CG2 4.08Å; M460-V608 HydrophobicContact CG-CG2 4.34Å; M460-V608 HydrophobicContact SD-CG2 4.28Å
461	A	84	Confident	83.7	Confident	9 Å²	9	46.5 Å²	46.5	7%	0.074	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	41.5	-178.5	0	0	0	0	0	112.9	V459 F463 G464 E465 H499 D502	V459-A461 PolarHBondContact O-N 3.14Å; A461-F463 PolarHBondContact O-N 3.48Å; A461-F463 VanDerWaalsContact O-N 3.09Å; A461-G464 CarbonylContact O-C 3.6Å; A461-G464 WeakPolarHBondContact O-CA 3.35Å; A461-G464 PolarHBondContact O-N 2.89Å; A461-E465 HydrophobicContact CB-CG 3.84Å; A461-H499 VanDerWaalsContact CB-O 3.28Å; A461-H499 WeakPolarHBondContact CB-O 3.46Å; A461-D502 VanDerWaalsContact CA-O 3.28Å; A461-D502 WeakPolarHBondContact CA-O 3.46Å; A461-D502 HydrophobicContact CB-CB 4.33Å; A461-D502 PolarHBondContact N-O 3.34Å
462	Y	80.9	Confident	83.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.008	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-35.1	-176.9	-179.3	-89.5	0	0	0	114.1	R458 V459 M460 G464 R548 Y604 H605 V608 E610	R458-Y462 HydrophobicContact CB-CD1 4.06Å; R458-Y462 HydrophobicContact CB-CG 3.94Å; R458-Y462 HydrophobicContact CG-CD1 3.9Å; R458-Y462 HydrophobicContact CG-CE1 4.23Å; R458-Y462 HydrophobicContact CG-CG 4.11Å; V459-Y462 WeakPolarHBondContact O-CB 3.42Å; V459-Y462 PolarHBondContact O-N 2.8Å; M460-Y462 VanDerWaalsContact C-N 3.27Å; M460-Y462 PolarHBondContact O-N 3.49Å; Y462-G464 VanDerWaalsContact C-N 3.33Å; Y462-R548 WeakPolarHBondContact OH-CD 3.18Å; Y462-Y604 HydrophobicContact CE2-CD1 4.26Å; Y462-H605 HydrophobicContact CD2-CB 3.65Å; Y462-H605 AromaticContact CD2-CD2 3.92Å; Y462-H605 AromaticContact CD2-CG 3.87Å; Y462-H605 HydrophobicContact CE2-CB 3.65Å; Y462-V608 HydrophobicContact CD2-CB 4.19Å; Y462-V608 HydrophobicContact CD2-CG1 3.99Å; Y462-V608 HydrophobicContact CE2-CG1 4.41Å; Y462-E610 HydrophobicContact CE2-CG 4.14Å; Y462-E610 WeakPolarHBondContact CE2-OE1 3.04Å; Y462-E610 VanDerWaalsContact CZ-OE1 3.31Å; Y462-E610 PolarHBondContact OH-OE1 3.13Å
463	F	80.7	Confident	84.3	Confident	20 Å²	20	33.1 Å²	33.1	9%	0.088	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	19.1	177.1	-61.9	-76.8	0	0	0	113.6	E418 G419 R420 R458 A461 V505 I506	E418-F463 HydrophobicContact CB-CE1 4.05Å; E418-F463 HydrophobicContact CB-CZ 3.9Å; E418-F463 HydrophobicContact CG-CE1 3.93Å; E418-F463 HydrophobicContact CG-CZ 4.3Å; G419-F463 VanDerWaalsContact CA-CD2 3.5Å; G419-F463 VanDerWaalsContact CA-CG 3.45Å; G419-F463 WeakPolarHBondContact O-CD2 3.41Å; R420-F463 HydrophobicContact CB-CB 4.12Å; R458-F463 HydrophobicContact CB-CE2 3.94Å; R458-F463 HydrophobicContact CG-CE2 3.92Å; R458-F463 HydrophobicContact CG-CZ 4.29Å; A461-F463 PolarHBondContact O-N 3.48Å; A461-F463 VanDerWaalsContact O-N 3.09Å; F463-V505 WeakPolarHBondContact CE2-O 3Å; F463-I506 HydrophobicContact CE2-CG1 4.47Å; F463-I506 HydrophobicContact CZ-CD1 4.35Å; F463-I506 HydrophobicContact CZ-CG1 3.72Å
464	G	79.5	Confident	84.6	Confident	33 Å²	33	34 Å²	34	34%	0.34	21%	0.214	S	C	.	.			trans	91.1	156.6	-172.5	0	0	0	0	0	112.6	R420 A461 Y462	R420-G464 PolarHBondContact NH1-O 3.31Å; A461-G464 CarbonylContact O-C 3.6Å; A461-G464 WeakPolarHBondContact O-CA 3.35Å; A461-G464 PolarHBondContact O-N 2.89Å; Y462-G464 VanDerWaalsContact C-N 3.33Å
465	E	83	Confident	84.8	Confident	122 Å²	122	31.3 Å²	31.3	57%	0.57	19%	0.191	S	C	*	.			trans	-68.6	140.3	175	-63.3	-171.6	179.1	0	0	110.3	R420 A461 H499 S500	R420-E465 PolarHBondContact NH1-O 3.16Å; A461-E465 HydrophobicContact CB-CG 3.84Å; E465-H499 HydrophobicContact CB-CB 3.93Å; E465-H499 HydrophobicContact CG-CB 4.32Å; E465-S500 WeakPolarHBondContact OE1-CB 3.37Å
466	G	80.6	Confident	84.7	Confident	7 Å²	7	38.3 Å²	38.3	7%	0.072	22%	0.216	C	C	.	.			trans	-81	-178.8	172.9	0	0	0	0	0	112.9	R420 H499 D502	R420-G466 VanDerWaalsContact CZ-CA 3.47Å; R420-G466 VanDerWaalsContact NE-CA 3.34Å; G466-H499 PolarHBondContact O-CD2 2.94Å; G466-D502 WeakPolarHBondContact CA-OD2 3.35Å; G466-D502 PolarHBondContact N-OD2 2.79Å
467	T	78.8	Confident	84.5	Confident	118 Å²	118	36 Å²	36	72%	0.724	21%	0.207	S	C	*	.			trans	-133.5	134.4	178.8	57.7	0	0	0	0	108.8
468	G	83.1	Confident	84.1	Confident	50 Å²	50	40.2 Å²	40.2	52%	0.515	23%	0.227	S	C	.	.	S	Bend	trans	111.9	-156.5	179.4	0	0	0	0	0	112	H499	G468-H499 PolarHBondContact O-CE1 2.97Å; G468-H499 VanDerWaalsContact O-CE1 3.25Å; G468-H499 PolarHBondContact O-NE2 2.73Å
469	P	81.6	Confident	83.5	Confident	40 Å²	40	40.3 Å²	40.3	26%	0.26	23%	0.231	S	C	.	.			trans	-75.9	153.3	178.1	32.2	-36.7	0	0	0	112.1	Q428 G430 T431	Q428-P469 HydrophobicContact CG-CG 4.06Å; G430-P469 CarbonylContact C-O 3.12Å; G430-P469 WeakPolarHBondContact CA-O 3.46Å; T431-P469 PolarHBondContact N-O 2.89Å
470	I	86.9	Confident	82.9	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.2	162.6	-48.1	-175.2	0	0	0	106.6	T431 C433 H495 C497	T431-I470 CarbonylContact O-C 3.52Å; T431-I470 WeakPolarHBondContact OG1-CG1 3.32Å; C433-I470 HydrophobicContact CB-CG2 4.1Å; I470-H495 PolarHBondContact O-CD2 2.91Å; I470-H495 PolarHBondContact O-NE2 2.77Å; I470-C497 HydrophobicContact CD1-CB 3.97Å; I470-C497 WeakPolarHBondContact CD1-O 3.32Å
471	H	84.3	Confident	82.9	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.046	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-42.7	-167	-90.5	-30.5	0	0	0	113.2	L423 L425 Q428 G430 T431 P492 G493	L423-H471 PolarHBondContact O-CD2 3.2Å; L425-H471 HydrophobicContact CD1-CB 3.99Å; L425-H471 PolarHBondContact O-CE1 3.39Å; L425-H471 PolarHBondContact O-NE2 3.09Å; Q428-H471 PolarHBondContact O-NE2 2.77Å; G430-H471 WeakPolarHBondContact CA-CD2 3.02Å; G430-H471 PolarHBondContact N-CD2 2.89Å; G430-H471 PolarHBondContact N-NE2 2.94Å; T431-H471 PolarHBondContact O-N 3.37Å; H471-P492 CarbonylContact O-C 3.49Å; H471-P492 WeakPolarHBondContact O-CA 3.44Å; H471-P492 WeakPolarHBondContact O-CB 3.43Å; H471-G493 PolarHBondContact O-N 3.01Å
472	V	84.5	Confident	82.3	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149	-175	-55.8	0	0	0	0	110.5	L423 L425 V432 C433 V475 K489	L423-V472 HydrophobicContact CD1-CB 4.27Å; L423-V472 HydrophobicContact CD1-CG1 3.87Å; L423-V472 HydrophobicContact CD1-CG2 3.36Å; L425-V472 HydrophobicContact CD1-CG1 3.97Å; V432-V472 HydrophobicContact CB-CG2 4.15Å; V432-V472 HydrophobicContact CG1-CG2 3.74Å; V432-V472 HydrophobicContact CG2-CG2 3.81Å; C433-V472 PolarHBondContact N-O 2.8Å; V472-V475 HydrophobicContact CB-CG2 4.34Å; V472-V475 HydrophobicContact CG2-CG2 3.74Å; V472-K489 HydrophobicContact CB-CD 4.11Å; V472-K489 HydrophobicContact CG1-CD 3.83Å
473	D	88.2	Confident	82.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.279	C	S	.	.			trans	-140.4	155.2	-175.7	176	30.9	0	0	0	110	C433 D435 V475 Q490 H495	C433-D473 HydrophobicContact CB-CB 4.03Å; C433-D473 WeakPolarHBondContact CB-OD1 3.06Å; D435-D473 WeakPolarHBondContact CB-OD1 3.38Å; D473-V475 VanDerWaalsContact C-N 3.28Å; D473-V475 PolarHBondContact O-N 3.2Å; D473-Q490 PolarHBondContact O-N 3.39Å; D473-Q490 PolarHBondContact OD2-NE2 2.93Å; D473-H495 HydrophobicContact CB-CB 3.6Å
474	N	83.4	Confident	82.3	Confident	37 Å²	37	52.8 Å²	52.8	20%	0.198	28%	0.276	C	S	.	.	S	Bend	trans	52.2	47	-179.2	-78.6	-86.7	0	0	0	112	D435 R476 Q490	D435-N474 WeakPolarHBondContact O-CA 3.47Å; N474-R476 PolarHBondContact O-N 2.79Å; N474-Q490 HydrophobicContact CB-CG 4.15Å; N474-Q490 PolarHBondContact ND2-NE2 2.03Å
475	V	89.1	Confident	82	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.268	C	S	.	.			trans	-68.2	130.4	176.4	-173.9	0	0	0	0	108.7	V432 W437 V472 D473 L484 C487 I488 K489	V432-V475 HydrophobicContact CG1-CG2 3.99Å; W437-V475 HydrophobicContact CE3-CB 3.97Å; W437-V475 HydrophobicContact CE3-CG1 4.5Å; W437-V475 HydrophobicContact CE3-CG2 4.37Å; W437-V475 HydrophobicContact CZ3-CB 3.76Å; W437-V475 HydrophobicContact CZ3-CG1 3.94Å; W437-V475 HydrophobicContact CZ3-CG2 3.96Å; V472-V475 HydrophobicContact CB-CG2 4.34Å; V472-V475 HydrophobicContact CG2-CG2 3.74Å; D473-V475 VanDerWaalsContact C-N 3.28Å; D473-V475 PolarHBondContact O-N 3.2Å; V475-L484 HydrophobicContact CG1-CD2 3.81Å; V475-C487 HydrophobicContact CG1-CB 3.94Å; V475-I488 CarbonylContact C-O 2.89Å; V475-I488 WeakPolarHBondContact CA-O 3.44Å; V475-K489 HydrophobicContact CG2-CB 4.17Å
476	R	87.4	Confident	81.7	Confident	157 Å²	157	47.9 Å²	47.9	59%	0.592	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-138	92.1	177.4	-62.2	-176.7	-168.9	178.6	3.5	108.9	N474 I488	N474-R476 PolarHBondContact O-N 2.79Å; R476-I488 HydrophobicContact CB-CB 4.46Å; R476-I488 PolarHBondContact N-O 3.48Å; R476-I488 PolarHBondContact O-N 3.21Å
477	C	87.4	Confident	81.9	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.068	25%	0.247	C	C	.	.			trans	-83.3	150.7	168.6	-58.2	0	0	0	0	109.9	Q440 D441 V444 E481 C487	Q440-C477 PolarHBondContact OE1-O 3.35Å; D441-C477 HydrophobicContact CB-CB 4.48Å; D441-C477 WeakPolarHBondContact OD1-CB 3.37Å; D441-C477 PolarHBondContact OD1-N 2.92Å; D441-C477 PolarHBondContact OD1-SG 3.41Å; V444-C477 HydrophobicContact CB-CB 4.46Å; V444-C477 HydrophobicContact CG2-CB 3.79Å; C477-E481 WeakPolarHBondContact CA-OE1 3.34Å; C477-E481 WeakPolarHBondContact CB-OE2 3.42Å; C477-C487 HydrophobicContact CB-CB 3.93Å; C477-C487 WeakPolarHBondContact CB-SG 3.2Å; C477-C487 WeakPolarHBondContact SG-CB 3.44Å; C477-C487 CovalentContact SG-SG 2.02Å; C477-C487 PolarHBondContact SG-SG 3.08Å
478	N	83.1	Confident	82	Confident	100 Å²	100	48.4 Å²	48.4	54%	0.535	24%	0.244	S	C	.	.			trans	-91.2	-7.9	168.7	71.4	11.7	0	0	0	112.6	E480 E481	N478-E480 PolarHBondContact OD1-N 2.77Å; N478-E481 VanDerWaalsContact N-CD 3.28Å; N478-E481 PolarHBondContact N-OE1 2.76Å; N478-E481 PolarHBondContact N-OE2 3.48Å; N478-E481 PolarHBondContact OD1-OE1 2.9Å; N478-E481 PolarHBondContact OD1-OE2 2.96Å
479	G	75.3	Confident	82	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	23%	0.231	C	C	.	.	S	Bend	trans	96.3	-10	177.5	0	0	0	0	0	113.9	R447 E481	R447-G479 PolarHBondContact NH1-O 3.3Å; R447-G479 PolarHBondContact NH2-O 3.47Å; G479-E481 PolarHBondContact N-OE2 2.82Å
480	E	77.1	Confident	81.9	Confident	168 Å²	168	50.1 Å²	50.1	79%	0.785	24%	0.235	S	C	*	.			trans	-95.3	-9	176.6	-62.5	-169.2	156.9	0	0	113	N478	N478-E480 PolarHBondContact OD1-N 2.77Å
481	E	82.9	Confident	81.3	Confident	25 Å²	25	58 Å²	58	12%	0.117	27%	0.268	C	S	.	.			trans	-61.7	149.8	-178.5	-64.6	92.9	164.3	0	0	112.8	V444 R447 C477 N478 G479 D486	V444-E481 HydrophobicContact CG1-CB 3.92Å; V444-E481 HydrophobicContact CG2-CB 3.87Å; R447-E481 PolarHBondContact NH1-O 3.44Å; C477-E481 WeakPolarHBondContact CA-OE1 3.34Å; C477-E481 WeakPolarHBondContact CB-OE2 3.42Å; N478-E481 VanDerWaalsContact N-CD 3.28Å; N478-E481 PolarHBondContact N-OE1 2.76Å; N478-E481 PolarHBondContact N-OE2 3.48Å; N478-E481 PolarHBondContact OD1-OE1 2.9Å; N478-E481 PolarHBondContact OD1-OE2 2.96Å; G479-E481 PolarHBondContact N-OE2 2.82Å; E481-D486 HydrophobicContact CB-CB 3.83Å; E481-D486 HydrophobicContact CG-CB 3.83Å
482	R	71.8	Confident	80.8	Confident	208 Å²	208	61.2 Å²	61.2	79%	0.785	29%	0.29	S	S	*	.	S	Bend	trans	-88.1	-18.7	178.3	-66.2	-176.2	177.7	-175.6	-0.2	112.5	D486	R482-D486 PolarHBondContact N-OD2 2.03Å
483	S	78.1	Confident	80.2	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.021	32%	0.316	C	S	.	.	S	Bend	trans	-155.5	158.2	179.3	69.4	0	0	0	0	112.2	A485 D486	S483-A485 PolarHBondContact O-N 3.19Å; S483-A485 VanDerWaalsContact O-N 3.09Å; S483-A485 WeakPolarHBondContact OG-CB 2.97Å; S483-A485 PolarHBondContact OG-N 3.25Å; S483-D486 PolarHBondContact N-OD2 3.47Å; S483-D486 VanDerWaalsContact O-CB 3.26Å; S483-D486 WeakPolarHBondContact O-CB 3.3Å; S483-D486 PolarHBondContact O-N 3.21Å; S483-D486 VanDerWaalsContact OG-CG 3.24Å; S483-D486 PolarHBondContact OG-OD2 2.91Å
484	L	81.8	Confident	79.8	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.8	171.7	-79.8	169.6	0	0	0	113.3	V408 V421 L423 W437 V445 V475 D486 C487 K489	V408-L484 HydrophobicContact CG2-CD1 4.1Å; V421-L484 HydrophobicContact CG1-CD1 4.02Å; L423-L484 HydrophobicContact CD2-CB 4.3Å; L423-L484 HydrophobicContact CD2-CD1 3.84Å; L423-L484 HydrophobicContact CG-CD1 4.49Å; W437-L484 HydrophobicContact CH2-CD1 4.21Å; W437-L484 HydrophobicContact CH2-CD2 3.69Å; W437-L484 HydrophobicContact CZ3-CD2 3.91Å; V445-L484 HydrophobicContact CG2-CD1 3.46Å; V445-L484 VanDerWaalsContact CG2-CD1 3.46Å; V445-L484 HydrophobicContact CG2-CD2 3.88Å; V445-L484 HydrophobicContact CG2-CG 3.74Å; V475-L484 HydrophobicContact CG1-CD2 3.81Å; L484-D486 PolarHBondContact O-N 2.71Å; L484-C487 PolarHBondContact O-N 2.95Å; L484-K489 PolarHBondContact O-NZ 3.43Å
485	A	75	Confident	79.9	Confident	23 Å²	23	68.8 Å²	68.8	19%	0.19	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.2	174	0	0	0	0	0	112.4	M404 I406 S483 K489	M404-A485 WeakPolarHBondContact O-CB 3.25Å; I406-A485 HydrophobicContact CB-CB 4.39Å; I406-A485 HydrophobicContact CD1-CB 3.41Å; I406-A485 VanDerWaalsContact CD1-CB 3.41Å; I406-A485 HydrophobicContact CG1-CB 3.68Å; S483-A485 PolarHBondContact O-N 3.19Å; S483-A485 VanDerWaalsContact O-N 3.09Å; S483-A485 WeakPolarHBondContact OG-CB 2.97Å; S483-A485 PolarHBondContact OG-N 3.25Å; A485-K489 PolarHBondContact O-NZ 2.74Å
486	D	76.5	Confident	79.8	Confident	28 Å²	28	74.8 Å²	74.8	15%	0.15	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.1	-175.5	-59	-41.9	0	0	0	113	R403 E481 R482 S483 L484	R403-D486 VanDerWaalsContact CB-OD1 3.24Å; R403-D486 WeakPolarHBondContact CB-OD1 3.36Å; R403-D486 WeakPolarHBondContact CD-OD1 3.29Å; R403-D486 IonicContact NE-OD1 3.92Å; R403-D486 VanDerWaalsContact NH1-CB 3.25Å; R403-D486 PolarHBondContact NH1-O 2.96Å; R403-D486 IonicContact NH1-OD1 3.55Å; E481-D486 HydrophobicContact CB-CB 3.83Å; E481-D486 HydrophobicContact CG-CB 3.83Å; R482-D486 PolarHBondContact N-OD2 2.03Å; S483-D486 PolarHBondContact N-OD2 3.47Å; S483-D486 VanDerWaalsContact O-CB 3.26Å; S483-D486 WeakPolarHBondContact O-CB 3.3Å; S483-D486 PolarHBondContact O-N 3.21Å; S483-D486 VanDerWaalsContact OG-CG 3.24Å; S483-D486 PolarHBondContact OG-OD2 2.91Å; L484-D486 PolarHBondContact O-N 2.71Å
487	C	83.6	Confident	79.8	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.034	35%	0.35	C	S	.	.	S	Bend	trans	-76.3	152.6	-179.8	-52	0	0	0	0	111.9	V475 C477 L484 K489	V475-C487 HydrophobicContact CG1-CB 3.94Å; C477-C487 HydrophobicContact CB-CB 3.93Å; C477-C487 WeakPolarHBondContact CB-SG 3.2Å; C477-C487 WeakPolarHBondContact SG-CB 3.44Å; C477-C487 CovalentContact SG-SG 2.02Å; C477-C487 PolarHBondContact SG-SG 3.08Å; L484-C487 PolarHBondContact O-N 2.95Å; C487-K489 PolarHBondContact O-N 3.15Å; C487-K489 PolarHBondContact O-NZ 3.39Å
488	I	81.7	Confident	79.8	Confident	131 Å²	131	76.3 Å²	76.3	67%	0.672	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-65.7	133.5	171.8	-61.3	173.4	0	0	0	107.7	V475 R476	V475-I488 CarbonylContact C-O 2.89Å; V475-I488 WeakPolarHBondContact CA-O 3.44Å; R476-I488 HydrophobicContact CB-CB 4.46Å; R476-I488 PolarHBondContact N-O 3.48Å; R476-I488 PolarHBondContact O-N 3.21Å
489	K	82.9	Confident	80	Confident	55 Å²	55	73.6 Å²	73.6	24%	0.239	37%	0.365	C	S	.	.			trans	-159.8	163	-179.5	57	-175	161	-70	0	109.9	V472 V475 L484 A485 C487	V472-K489 HydrophobicContact CB-CD 4.11Å; V472-K489 HydrophobicContact CG1-CD 3.83Å; V475-K489 HydrophobicContact CG2-CB 4.17Å; L484-K489 PolarHBondContact O-NZ 3.43Å; A485-K489 PolarHBondContact O-NZ 2.74Å; C487-K489 PolarHBondContact O-N 3.15Å; C487-K489 PolarHBondContact O-NZ 3.39Å
490	Q	78.3	Confident	80.3	Confident	72 Å²	72	74.5 Å²	74.5	34%	0.336	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-66.6	164.7	169.9	-71.8	-168.2	37.3	0	0	112	D473 N474 T494	D473-Q490 PolarHBondContact O-N 3.39Å; D473-Q490 PolarHBondContact OD2-NE2 2.93Å; N474-Q490 HydrophobicContact CB-CG 4.15Å; N474-Q490 PolarHBondContact ND2-NE2 2.03Å; Q490-T494 PolarHBondContact OE1-O 3.34Å
491	K	74.4	Confident	80.9	Confident	171 Å²	171	69.4 Å²	69.4	74%	0.743	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-58.8	132.9	175.2	-72.3	-176.9	179.3	178.2	0	109.2	G493 T494	K491-G493 PolarHBondContact O-N 2.88Å; K491-T494 VanDerWaalsContact O-CB 3.3Å; K491-T494 WeakPolarHBondContact O-CB 3.32Å; K491-T494 PolarHBondContact O-N 2.97Å; K491-T494 PolarHBondContact O-OG1 3.13Å
492	P	74.1	Confident	81.3	Confident	78 Å²	78	68.3 Å²	68.3	51%	0.506	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	135.1	-178.8	-28.7	35	0	0	0	113	L425 H471 T494	L425-P492 HydrophobicContact CD1-CB 3.98Å; L425-P492 HydrophobicContact CD1-CG 4.13Å; H471-P492 CarbonylContact O-C 3.49Å; H471-P492 WeakPolarHBondContact O-CA 3.44Å; H471-P492 WeakPolarHBondContact O-CB 3.43Å; P492-T494 VanDerWaalsContact C-N 3.29Å; P492-T494 PolarHBondContact O-N 2.83Å
493	G	71.4	Confident	82.3	Confident	53 Å²	53	58.4 Å²	58.4	55%	0.546	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-0.3	-174.8	0	0	0	0	0	115.5	H471 K491	H471-G493 PolarHBondContact O-N 3.01Å; K491-G493 PolarHBondContact O-N 2.88Å
494	T	80.7	Confident	83	Confident	76 Å²	76	58.3 Å²	58.3	47%	0.466	30%	0.304	S	S	.	.			trans	-99.6	108.5	168.6	-52.6	0	0	0	0	108.8	Q490 K491 P492	Q490-T494 PolarHBondContact OE1-O 3.34Å; K491-T494 VanDerWaalsContact O-CB 3.3Å; K491-T494 WeakPolarHBondContact O-CB 3.32Å; K491-T494 PolarHBondContact O-N 2.97Å; K491-T494 PolarHBondContact O-OG1 3.13Å; P492-T494 VanDerWaalsContact C-N 3.29Å; P492-T494 PolarHBondContact O-N 2.83Å
495	H	86.4	Confident	83.6	Confident	70 Å²	70	58.2 Å²	58.2	32%	0.324	30%	0.303	S	S	.	.			trans	-157.9	159.6	178.1	66.5	89.2	0	0	0	109.5	I470 D473 C497	I470-H495 PolarHBondContact O-CD2 2.91Å; I470-H495 PolarHBondContact O-NE2 2.77Å; D473-H495 HydrophobicContact CB-CB 3.6Å; H495-C497 PolarHBondContact CE1-O 3.12Å; H495-C497 PolarHBondContact ND1-N 2.64Å; H495-C497 PolarHBondContact ND1-O 2.75Å; H495-C497 VanDerWaalsContact ND1-O 3.14Å
496	N	86	Confident	84.2	Confident	126 Å²	126	58 Å²	58	67%	0.674	30%	0.298	S	S	*	.			trans	-108.5	4.1	169.2	61	-17.1	0	0	0	112.5
497	C	87.6	Confident	84.7	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.054	29%	0.293	C	S	.	.			trans	-78.7	158.2	-173.6	-46.2	0	0	0	0	113.8	C433 I470 H495 E501	C433-C497 HydrophobicContact CB-CB 3.72Å; C433-C497 WeakPolarHBondContact CB-SG 3.39Å; C433-C497 WeakPolarHBondContact SG-CB 3.44Å; C433-C497 CovalentContact SG-SG 2.01Å; C433-C497 PolarHBondContact SG-SG 3.34Å; I470-C497 HydrophobicContact CD1-CB 3.97Å; I470-C497 WeakPolarHBondContact CD1-O 3.32Å; H495-C497 PolarHBondContact CE1-O 3.12Å; H495-C497 PolarHBondContact ND1-N 2.64Å; H495-C497 PolarHBondContact ND1-O 2.75Å; H495-C497 VanDerWaalsContact ND1-O 3.14Å; C497-E501 VanDerWaalsContact CA-OE2 3.24Å; C497-E501 WeakPolarHBondContact CA-OE2 3.4Å; C497-E501 HydrophobicContact CB-CB 4.16Å
498	R	87.9	Confident	84.7	Confident	191 Å²	191	57.8 Å²	57.8	72%	0.721	30%	0.297	S	S	*	.			trans	-110.3	165.1	167	-61.7	178.8	179	-179.1	0.1	109.6	S500 E501	R498-S500 PolarHBondContact O-N 3.25Å; R498-E501 PolarHBondContact N-OE2 3.34Å; R498-E501 WeakPolarHBondContact O-CA 3.07Å; R498-E501 VanDerWaalsContact O-CB 3.3Å; R498-E501 WeakPolarHBondContact O-CB 3.24Å; R498-E501 PolarHBondContact O-N 2.87Å
499	H	86.4	Confident	84.4	Confident	43 Å²	43	53.3 Å²	53.3	20%	0.199	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61	-17	177.6	-73.5	-56	0	0	0	114.7	T431 A461 E465 G466 G468 E501 D502	T431-H499 PolarHBondContact OG1-ND1 3.27Å; A461-H499 VanDerWaalsContact CB-O 3.28Å; A461-H499 WeakPolarHBondContact CB-O 3.46Å; E465-H499 HydrophobicContact CB-CB 3.93Å; E465-H499 HydrophobicContact CG-CB 4.32Å; G466-H499 PolarHBondContact O-CD2 2.94Å; G468-H499 PolarHBondContact O-CE1 2.97Å; G468-H499 VanDerWaalsContact O-CE1 3.25Å; G468-H499 PolarHBondContact O-NE2 2.73Å; H499-E501 PolarHBondContact O-N 3.02Å; H499-E501 VanDerWaalsContact O-N 3.13Å; H499-D502 WeakPolarHBondContact CB-OD2 3Å; H499-D502 IonicContact CG-OD2 3.76Å; H499-D502 IonicContact ND1-OD1 2.99Å; H499-D502 PolarHBondContact ND1-OD1 2.99Å; H499-D502 VanDerWaalsContact ND1-OD1 3.14Å; H499-D502 IonicContact ND1-OD2 3.16Å; H499-D502 PolarHBondContact ND1-OD2 3.5Å; H499-D502 WeakPolarHBondContact O-CB 3.02Å; H499-D502 PolarHBondContact O-N 3.37Å; H499-D502 VanDerWaalsContact O-N 3.13Å
500	S	82.6	Confident	83.5	Confident	29 Å²	29	53.7 Å²	53.7	20%	0.203	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.3	-7.5	169.8	62.2	0	0	0	0	114.5	M460 E465 R498 K693	M460-S500 CarbonylContact C-O 3.47Å; M460-S500 VanDerWaalsContact C-O 3.23Å; M460-S500 VanDerWaalsContact CA-O 3.27Å; M460-S500 WeakPolarHBondContact CA-O 3.42Å; E465-S500 WeakPolarHBondContact OE1-CB 3.37Å; R498-S500 PolarHBondContact O-N 3.25Å; S500-K693 PolarHBondContact O-NZ 3.47Å
501	E	88.5	Confident	82.1	Confident	61 Å²	61	57.3 Å²	57.3	29%	0.285	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-117.1	18.8	-179.8	-65.6	165.3	134.8	0	0	110	C433 D434 C497 R498 H499 A503	C433-E501 CarbonylContact C-O 3.53Å; D434-E501 VanDerWaalsContact CB-O 3.3Å; D434-E501 WeakPolarHBondContact CB-O 3.5Å; D434-E501 PolarHBondContact N-O 2.78Å; D434-E501 WeakPolarHBondContact OD1-CB 3.46Å; C497-E501 VanDerWaalsContact CA-OE2 3.24Å; C497-E501 WeakPolarHBondContact CA-OE2 3.4Å; C497-E501 HydrophobicContact CB-CB 4.16Å; R498-E501 PolarHBondContact N-OE2 3.34Å; R498-E501 WeakPolarHBondContact O-CA 3.07Å; R498-E501 VanDerWaalsContact O-CB 3.3Å; R498-E501 WeakPolarHBondContact O-CB 3.24Å; R498-E501 PolarHBondContact O-N 2.87Å; H499-E501 PolarHBondContact O-N 3.02Å; H499-E501 VanDerWaalsContact O-N 3.13Å; E501-A503 PolarHBondContact O-N 2.67Å
502	D	90.8	Very high	80.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-69.1	131.4	175.8	-72	-24.7	0	0	0	111	R420 T431 V432 A461 G466 H499	R420-D502 HydrophobicContact CG-CB 4.1Å; T431-D502 WeakPolarHBondContact CB-OD1 3.35Å; T431-D502 WeakPolarHBondContact CG2-OD2 3.45Å; T431-D502 PolarHBondContact OG1-OD1 3.39Å; V432-D502 CarbonylContact O-C 3.55Å; V432-D502 WeakPolarHBondContact O-CA 3.26Å; A461-D502 VanDerWaalsContact CA-O 3.28Å; A461-D502 WeakPolarHBondContact CA-O 3.46Å; A461-D502 HydrophobicContact CB-CB 4.33Å; A461-D502 PolarHBondContact N-O 3.34Å; G466-D502 WeakPolarHBondContact CA-OD2 3.35Å; G466-D502 PolarHBondContact N-OD2 2.79Å; H499-D502 WeakPolarHBondContact CB-OD2 3Å; H499-D502 IonicContact CG-OD2 3.76Å; H499-D502 IonicContact ND1-OD1 2.99Å; H499-D502 PolarHBondContact ND1-OD1 2.99Å; H499-D502 VanDerWaalsContact ND1-OD1 3.14Å; H499-D502 IonicContact ND1-OD2 3.16Å; H499-D502 PolarHBondContact ND1-OD2 3.5Å; H499-D502 WeakPolarHBondContact O-CB 3.02Å; H499-D502 PolarHBondContact O-N 3.37Å; H499-D502 VanDerWaalsContact O-N 3.13Å
503	A	94.3	Very high	78.7	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	31%	0.313	C	S	.	.			trans	-78	148.5	179.1	0	0	0	0	0	112.6	R420 V421 V432 D434 W437 E501	R420-A503 WeakPolarHBondContact CA-O 3.39Å; V421-A503 PolarHBondContact N-O 2.62Å; V432-A503 HydrophobicContact CB-CB 4.11Å; V432-A503 HydrophobicContact CG1-CB 4.11Å; V432-A503 WeakPolarHBondContact O-CB 3.39Å; V432-A503 PolarHBondContact O-N 3.36Å; D434-A503 HydrophobicContact CB-CB 4.14Å; W437-A503 HydrophobicContact CB-CB 4.48Å; W437-A503 HydrophobicContact CD2-CB 3.68Å; W437-A503 HydrophobicContact CE3-CB 4.25Å; W437-A503 HydrophobicContact CG-CB 3.77Å; W437-A503 HydrophobicContact CZ2-CB 4.3Å; E501-A503 PolarHBondContact O-N 2.67Å
504	G	92.3	Very high	76.8	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	167.3	177.2	0	0	0	0	0	112.2	G419 W437 R458	G419-G504 CarbonylContact O-C 3.54Å; G419-G504 VanDerWaalsContact O-CA 3.24Å; G419-G504 WeakPolarHBondContact O-CA 3.42Å; W437-G504 PolarHBondContact NE1-O 2.82Å; W437-G504 VanDerWaalsContact NE1-O 3.15Å; R458-G504 PolarHBondContact N-O 2.72Å; R458-G504 PolarHBondContact O-N 2.77Å
505	V	93.3	Very high	74.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.5	177.1	-57.6	0	0	0	0	111.8	L410 E418 G419 V421 W437 A442 V445 K456 F463	L410-V505 HydrophobicContact CD1-CG2 3.78Å; L410-V505 HydrophobicContact CD2-CG2 3.38Å; L410-V505 HydrophobicContact CG-CG2 4.24Å; E418-V505 CarbonylContact C-O 3.53Å; E418-V505 WeakPolarHBondContact CA-O 3.46Å; E418-V505 WeakPolarHBondContact CB-O 3.19Å; G419-V505 PolarHBondContact N-O 3.49Å; G419-V505 PolarHBondContact O-N 2.01Å; V421-V505 HydrophobicContact CG2-CB 4.32Å; V421-V505 HydrophobicContact CG2-CG1 3.6Å; V421-V505 HydrophobicContact CG2-CG2 3.95Å; W437-V505 HydrophobicContact CZ2-CG1 3.87Å; A442-V505 HydrophobicContact CB-CB 4.11Å; A442-V505 HydrophobicContact CB-CG1 3.53Å; V445-V505 HydrophobicContact CB-CG1 4.15Å; V445-V505 HydrophobicContact CB-CG2 4.46Å; V445-V505 HydrophobicContact CG1-CG1 4.31Å; V445-V505 HydrophobicContact CG1-CG2 3.92Å; V445-V505 HydrophobicContact CG2-CG1 4.21Å; K456-V505 CarbonylContact O-C 3.58Å; K456-V505 VanDerWaalsContact O-CA 3.29Å; K456-V505 WeakPolarHBondContact O-CA 3.46Å; F463-V505 WeakPolarHBondContact CE2-O 3Å
506	I	88.4	Confident	71.6	Confident	17 Å²	17	66.8 Å²	66.8	9%	0.087	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.5	164.1	-56.4	168.5	0	0	0	107.1	E418 A455 K456 R458 F463 Y509	E418-I506 HydrophobicContact CB-CB 4.28Å; E418-I506 HydrophobicContact CB-CG1 3.99Å; E418-I506 HydrophobicContact CB-CG2 4.26Å; A455-I506 CarbonylContact C-O 3.6Å; A455-I506 VanDerWaalsContact CA-O 3.27Å; A455-I506 WeakPolarHBondContact CA-O 3.29Å; K456-I506 HydrophobicContact CB-CB 4.36Å; K456-I506 PolarHBondContact N-O 3.25Å; K456-I506 PolarHBondContact O-N 2.96Å; R458-I506 HydrophobicContact CG-CD1 4.18Å; R458-I506 HydrophobicContact CG-CG1 4.27Å; F463-I506 HydrophobicContact CE2-CG1 4.47Å; F463-I506 HydrophobicContact CZ-CD1 4.35Å; F463-I506 HydrophobicContact CZ-CG1 3.72Å; I506-Y509 HydrophobicContact CB-CD2 4.12Å; I506-Y509 HydrophobicContact CD1-CD2 4.41Å; I506-Y509 HydrophobicContact CD1-CE2 4.2Å; I506-Y509 HydrophobicContact CG2-CD2 3.88Å
507	C	87.1	Confident	68.9	Low	6 Å²	6	71.1 Å²	71.1	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	152.8	178.8	-52.2	0	0	0	0	111.4	R417 C446 Y451 Y509	R417-C507 HydrophobicContact CB-CB 4.24Å; R417-C507 WeakPolarHBondContact O-CB 3.45Å; R417-C507 PolarHBondContact O-N 3.15Å; R417-C507 PolarHBondContact O-SG 3.36Å; C446-C507 WeakPolarHBondContact CA-SG 3.32Å; C446-C507 HydrophobicContact CB-CB 3.66Å; C446-C507 WeakPolarHBondContact CB-SG 3.42Å; C446-C507 WeakPolarHBondContact SG-CA 3.27Å; C446-C507 WeakPolarHBondContact SG-CB 3.43Å; C446-C507 CovalentContact SG-SG 2.03Å; C446-C507 PolarHBondContact SG-SG 2.77Å; Y451-C507 HydrophobicContact CD2-CB 3.63Å; Y451-C507 WeakPolarHBondContact CD2-SG 3.33Å; Y451-C507 HydrophobicContact CE2-CB 4.33Å; Y451-C507 HydrophobicContact CG-CB 3.75Å; C507-Y509 PolarHBondContact O-N 2.95Å
508	D	83.2	Confident	66.2	Low	23 Å²	23	77.5 Å²	77.5	12%	0.123	39%	0.388	C	S	.	.	S	Bend	trans	54	39.2	-175.5	-47	-52.4	0	0	0	112.6	R417 Y451 R452 G453 A454 E511	R417-D508 WeakPolarHBondContact CD-OD2 3.41Å; R417-D508 IonicContact CZ-OD2 2.82Å; R417-D508 IonicContact NE-OD2 2.73Å; R417-D508 IonicContact NH1-OD2 3.56Å; R417-D508 PolarHBondContact NH1-OD2 2.83Å; Y451-D508 WeakPolarHBondContact CD1-OD2 3.39Å; R452-D508 PolarHBondContact N-OD1 2.74Å; G453-D508 VanDerWaalsContact CA-OD1 3.24Å; G453-D508 WeakPolarHBondContact CA-OD1 3.37Å; G453-D508 PolarHBondContact N-OD1 3.24Å; A454-D508 CarbonylContact O-C 3.52Å; A454-D508 VanDerWaalsContact O-CA 3.26Å; A454-D508 WeakPolarHBondContact O-CA 3.31Å; A454-D508 PolarHBondContact O-N 2.85Å; D508-E511 PolarHBondContact O-N 2.93Å
509	Y	75.8	Confident	63.5	Low	38 Å²	38	73.5 Å²	73.5	15%	0.149	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	131.8	176.5	-166.4	-108.1	0	0	0	110.9	A454 K456 R458 I506 C507 E611	A454-Y509 WeakPolarHBondContact CB-O 3.38Å; A454-Y509 WeakPolarHBondContact O-CB 3.38Å; A454-Y509 PolarHBondContact O-N 2.78Å; K456-Y509 HydrophobicContact CB-CD1 3.72Å; K456-Y509 HydrophobicContact CB-CD2 3.62Å; K456-Y509 HydrophobicContact CB-CE1 3.76Å; K456-Y509 HydrophobicContact CB-CE2 3.71Å; K456-Y509 HydrophobicContact CB-CG 3.58Å; K456-Y509 HydrophobicContact CD-CD1 4.03Å; K456-Y509 HydrophobicContact CD-CE1 3.45Å; K456-Y509 VanDerWaalsContact CD-CE1 3.45Å; K456-Y509 HydrophobicContact CG-CD1 4.21Å; K456-Y509 HydrophobicContact CG-CD2 4.33Å; K456-Y509 HydrophobicContact CG-CE1 3.72Å; K456-Y509 HydrophobicContact CG-CE2 3.91Å; K456-Y509 HydrophobicContact CG-CG 4.43Å; R458-Y509 PolarHBondContact NH2-OH 3.47Å; I506-Y509 HydrophobicContact CB-CD2 4.12Å; I506-Y509 HydrophobicContact CD1-CD2 4.41Å; I506-Y509 HydrophobicContact CD1-CE2 4.2Å; I506-Y509 HydrophobicContact CG2-CD2 3.88Å; C507-Y509 PolarHBondContact O-N 2.95Å; Y509-E611 VanDerWaalsContact CE1-CD 3.4Å; Y509-E611 HydrophobicContact CE1-CG 4.33Å; Y509-E611 WeakPolarHBondContact CE1-OE1 3.45Å; Y509-E611 WeakPolarHBondContact OH-CG 3.27Å; Y509-E611 PolarHBondContact OH-OE1 2.89Å
510	G	62.9	Low	60.9	Low	63 Å²	63	79.6 Å²	79.6	65%	0.649	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-6.9	-178.9	0	0	0	0	0	115.9	S512	G510-S512 PolarHBondContact O-N 3.44Å
511	E	49.7	Very low	58.4	Low	148 Å²	148	83.8 Å²	83.8	69%	0.692	43%	0.43	S	S	*	.			trans	-75.8	66.9	163.6	-74	-163.5	172.2	0	0	109.9	D508 Q513	D508-E511 PolarHBondContact O-N 2.93Å; E511-Q513 PolarHBondContact O-N 2.83Å
512	S	40.2	Very low	55.9	Low	73 Å²	73	85.8 Å²	85.8	51%	0.51	45%	0.448	S	S	.	.			trans	-66.8	124.1	163.1	71.6	0	0	0	0	107.9	G510 H514	G510-S512 PolarHBondContact O-N 3.44Å; S512-H514 PolarHBondContact O-N 2.96Å
513	Q	37.2	Very low	53.8	Low	177 Å²	177	90.3 Å²	90.3	83%	0.827	48%	0.476	S	S	*	.			trans	-47.3	95.6	149.9	-75.3	-93.8	-14.8	0	0	107.1	E511 S515	E511-Q513 PolarHBondContact O-N 2.83Å; Q513-S515 PolarHBondContact O-N 2.89Å
514	H	32.4	Very low	51.2	Low	162 Å²	162	95 Å²	95	75%	0.75	51%	0.509	S	S	*	.			trans	-66.2	73.5	163.7	-88.5	-64.8	0	0	0	107.8	S512 N516	S512-H514 PolarHBondContact O-N 2.96Å; H514-N516 VanDerWaalsContact C-N 3.33Å
515	S	27	Very low	49.3	Very low	88 Å²	88	99.8 Å²	99.8	62%	0.615	54%	0.542	S	S	*	.			trans	-93.3	79.5	150.9	67.9	0	0	0	0	106.5	Q513 R517	Q513-S515 PolarHBondContact O-N 2.89Å; S515-R517 PolarHBondContact O-N 2.76Å
516	N	30.2	Very low	48.2	Very low	146 Å²	146	102.6 Å²	102.6	78%	0.781	56%	0.556	S	S	*	*			trans	-62.2	82.7	154.8	-93.7	-3.6	0	0	0	107.1	H514	H514-N516 VanDerWaalsContact C-N 3.33Å
517	R	29.9	Very low	47.9	Very low	218 Å²	218	103.7 Å²	103.7	82%	0.823	57%	0.565	S	S	*	*			trans	-95	91.3	151.6	-80.9	-173	172.5	-173.6	-1.8	105.2	S515 V519	S515-R517 PolarHBondContact O-N 2.76Å; R517-V519 VanDerWaalsContact C-N 3.29Å; R517-V519 PolarHBondContact O-N 2.91Å
518	E	29.6	Very low	47.6	Very low	141 Å²	141	103.4 Å²	103.4	66%	0.659	56%	0.563	S	S	*	*			trans	-50.9	102.4	157.2	-78	-171.9	162.5	0	0	107.1	K520	E518-K520 PolarHBondContact O-N 3.33Å; E518-K520 VanDerWaalsContact O-N 3.1Å; E518-K520 VanDerWaalsContact OE2-CE 3.23Å; E518-K520 WeakPolarHBondContact OE2-CE 3.35Å; E518-K520 IonicContact OE2-NZ 3.19Å; E518-K520 PolarHBondContact OE2-NZ 3.34Å
519	V	32.2	Very low	47.5	Very low	108 Å²	108	106.2 Å²	106.2	66%	0.655	58%	0.578	S	S	*	*			trans	-80.1	86.5	165	-177.8	0	0	0	0	106	R517 D521	R517-V519 VanDerWaalsContact C-N 3.29Å; R517-V519 PolarHBondContact O-N 2.91Å; V519-D521 HydrophobicContact CG1-CB 4.23Å; V519-D521 PolarHBondContact O-N 3Å; V519-D521 VanDerWaalsContact O-N 3.14Å
520	K	30.8	Very low	47.4	Very low	171 Å²	171	107.6 Å²	107.6	74%	0.743	58%	0.583	S	S	*	*			trans	-78.4	79	163.9	-77.8	178.7	179.4	155.7	0	108.3	E518	E518-K520 PolarHBondContact O-N 3.33Å; E518-K520 VanDerWaalsContact O-N 3.1Å; E518-K520 VanDerWaalsContact OE2-CE 3.23Å; E518-K520 WeakPolarHBondContact OE2-CE 3.35Å; E518-K520 IonicContact OE2-NZ 3.19Å; E518-K520 PolarHBondContact OE2-NZ 3.34Å
521	D	29.9	Very low	47.4	Very low	116 Å²	116	110 Å²	110	62%	0.62	58%	0.58	S	S	*	*			trans	-124.5	141.1	161.8	-90.7	-39.8	0	0	0	109.6	V519 V523	V519-D521 HydrophobicContact CG1-CB 4.23Å; V519-D521 PolarHBondContact O-N 3Å; V519-D521 VanDerWaalsContact O-N 3.14Å; D521-V523 PolarHBondContact O-N 3.4Å
522	P	37.3	Very low	47.5	Very low	103 Å²	103	105 Å²	105	67%	0.669	56%	0.56	S	S	*	*			trans	-63.2	134.1	-168.4	22.5	-30.9	0	0	0	112.9	S524	P522-S524 PolarHBondContact O-N 3.47Å
523	V	45	Very low	47.6	Very low	97 Å²	97	109.6 Å²	109.6	59%	0.588	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	19.7	-166.8	-176.4	0	0	0	0	115.8	D521 T577 F656	D521-V523 PolarHBondContact O-N 3.4Å; V523-T577 HydrophobicContact CG1-CG2 4.07Å; V523-F656 HydrophobicContact CG1-CE2 4.4Å
524	S	40.3	Very low	47.4	Very low	99 Å²	99	107 Å²	107	69%	0.692	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-12.2	-179.7	66.2	0	0	0	0	115.4	P522	P522-S524 PolarHBondContact O-N 3.47Å
525	S	52.5	Low	47.3	Very low	101 Å²	101	110.6 Å²	110.6	71%	0.706	58%	0.576	S	S	*	*	S	Bend	trans	-124.7	2.9	-166.5	-62.9	0	0	0	0	116.5
526	I	70	Confident	47.3	Very low	59 Å²	59	115.4 Å²	115.4	30%	0.303	59%	0.589	S	S	.	*			trans	-100.8	88.9	-178.7	-54.4	176.3	0	0	0	109	L529 L661 P662	I526-L529 HydrophobicContact CG2-CD1 3.91Å; I526-L661 HydrophobicContact CG2-CD2 4.36Å; I526-P662 WeakPolarHBondContact O-CG 3.44Å
527	C	82.9	Confident	47.1	Very low	41 Å²	41	117.1 Å²	117.1	28%	0.277	58%	0.584	S	S	.	*			trans	-140.4	157.3	169.2	69.1	0	0	0	0	111	L529 P662 C664	C527-L529 PolarHBondContact O-N 3.36Å; C527-L529 VanDerWaalsContact O-N 3.13Å; C527-P662 CarbonylContact C-O 3.58Å; C527-P662 WeakPolarHBondContact CA-O 3.38Å; C527-P662 HydrophobicContact CB-CG 4.26Å; C527-C664 HydrophobicContact CB-CB 4.04Å; C527-C664 WeakPolarHBondContact CB-SG 3.47Å; C527-C664 PolarHBondContact O-SG 3.37Å; C527-C664 WeakPolarHBondContact SG-CA 3.4Å; C527-C664 WeakPolarHBondContact SG-CB 3.49Å; C527-C664 CovalentContact SG-SG 2.06Å; C527-C664 PolarHBondContact SG-SG 3.42Å
528	G	80.4	Confident	47	Very low	0 Å²	0	118.4 Å²	118.4	0%	0	59%	0.589	C	S	.	*	S	Bend	trans	66.4	14.6	173.6	0	0	0	0	0	114.3	P662 C664 G751 W752	G528-P662 PolarHBondContact N-O 3.11Å; G528-C664 PolarHBondContact N-SG 2.71Å; G528-G751 CarbonylContact O-C 3.52Å; G528-G751 WeakPolarHBondContact O-CA 3.49Å; G528-W752 WeakPolarHBondContact CA-O 3.29Å; G528-W752 PolarHBondContact O-N 2.85Å
529	L	81.1	Confident	46.9	Very low	81 Å²	81	118.7 Å²	118.7	42%	0.424	59%	0.594	S	S	.	*			trans	-84.7	127.4	177.3	-62.6	-177.9	0	0	0	110.2	I526 C527 W553 L661	I526-L529 HydrophobicContact CG2-CD1 3.91Å; C527-L529 PolarHBondContact O-N 3.36Å; C527-L529 VanDerWaalsContact O-N 3.13Å; L529-W553 WeakPolarHBondContact O-CZ3 3.42Å; L529-L661 HydrophobicContact CB-CD1 4.25Å; L529-L661 WeakPolarHBondContact O-CD1 3.49Å
530	R	74.8	Confident	46.5	Very low	68 Å²	68	122 Å²	122	26%	0.257	61%	0.606	S	S	.	*			trans	-111.4	93	171.8	-169.7	179.6	179.6	-155.6	-3.1	108	V532 G550 W553	R530-V532 PolarHBondContact O-N 3.01Å; R530-V532 VanDerWaalsContact O-N 3.15Å; R530-G550 WeakPolarHBondContact CD-O 3.4Å; R530-G550 PolarHBondContact NE-O 3.32Å; R530-W553 HydrophobicContact CB-CH2 4.41Å
531	L	61.6	Low	46.4	Very low	113 Å²	113	116.4 Å²	116.4	59%	0.592	60%	0.597	S	S	*	*			trans	-69.2	-7.2	-175	-64.5	174.9	0	0	0	113.7	H533 L661	L531-H533 VanDerWaalsContact C-N 3.27Å; L531-H533 PolarHBondContact O-N 3.42Å; L531-L661 HydrophobicContact CD1-CD1 3.86Å; L531-L661 HydrophobicContact CG-CD1 4.03Å
532	V	53.1	Low	46.1	Very low	44 Å²	44	113.5 Å²	113.5	27%	0.267	59%	0.594	S	S	.	*			trans	-77.6	79.2	173.5	-166.5	0	0	0	0	110	R530 S547	R530-V532 PolarHBondContact O-N 3.01Å; R530-V532 VanDerWaalsContact O-N 3.15Å; V532-S547 WeakPolarHBondContact CG1-OG 3.26Å
533	H	40.5	Very low	45.9	Very low	168 Å²	168	117.4 Å²	117.4	78%	0.778	60%	0.604	S	S	*	*			trans	-117.5	70	164	-97.6	47	0	0	0	109.7	L531	L531-H533 VanDerWaalsContact C-N 3.27Å; L531-H533 PolarHBondContact O-N 3.42Å
534	T	33.2	Very low	45.6	Very low	123 Å²	123	118 Å²	118	76%	0.755	60%	0.604	S	S	*	*	S	Bend	trans	-142.8	110.8	158.1	46.6	0	0	0	0	110.1
535	R	31	Very low	45.7	Very low	238 Å²	238	117 Å²	117	90%	0.898	60%	0.597	S	S	*	*			trans	77.1	77.3	169.1	-56	-176.1	178.4	-170.5	-0.7	117.3	R537	R535-R537 PolarHBondContact O-N 2.82Å; R535-R537 VanDerWaalsContact O-N 3.15Å
536	Q	26.8	Very low	45.8	Very low	188 Å²	188	112.8 Å²	112.8	88%	0.879	57%	0.566	S	S	*	*			trans	-60.6	113	150.7	-80.7	-175.7	-15.9	0	0	109.2	R538	Q536-R538 PolarHBondContact O-N 3.15Å
537	R	26.5	Very low	45.1	Very low	183 Å²	183	111 Å²	111	69%	0.691	56%	0.559	S	S	*	*			trans	-60.9	118.7	165.9	-66.4	-178.2	176.5	-173.7	-0.2	108.3	R535 I539	R535-R537 PolarHBondContact O-N 2.82Å; R535-R537 VanDerWaalsContact O-N 3.15Å; R537-I539 PolarHBondContact O-N 2.81Å
538	R	26.4	Very low	44.2	Very low	244 Å²	244	111 Å²	111	92%	0.921	55%	0.553	S	S	*	*			trans	-85.8	87.4	162.9	-83.3	-174.8	-171.4	142.4	2.6	108.7	Q536	Q536-R538 PolarHBondContact O-N 3.15Å
539	I	27.7	Very low	43.1	Very low	147 Å²	147	111.6 Å²	111.6	75%	0.754	56%	0.559	S	S	*	*			trans	-137.3	127.9	155.4	-56.2	-77.5	0	0	0	107	R537	R537-I539 PolarHBondContact O-N 2.81Å
540	I	24.7	Very low	42.7	Very low	177 Å²	177	107.8 Å²	107.8	91%	0.908	54%	0.54	S	S	*	.	S	Bend	trans	-78.6	118	172.2	-63.2	171.9	0	0	0	106.9
541	G	27.9	Very low	43.2	Very low	55 Å²	55	104.9 Å²	104.9	57%	0.567	53%	0.529	S	S	*	.	S	Bend	trans	128.7	-3.2	159.9	0	0	0	0	0	120.4	R730	G541-R730 PolarHBondContact O-NH2 2.87Å
542	G	24.1	Very low	44.5	Very low	54 Å²	54	99.6 Å²	99.6	56%	0.557	50%	0.501	S	S	*	.	S	Bend	trans	-133.4	150.8	-178.8	0	0	0	0	0	114
543	E	33.8	Very low	46.4	Very low	185 Å²	185	97.5 Å²	97.5	86%	0.864	49%	0.489	S	S	*	.			trans	-56	139.1	-165	-71.1	177	155.5	0	0	115.6	S545	E543-S545 PolarHBondContact O-N 2.67Å
544	N	38.8	Very low	48.9	Very low	111 Å²	111	89.8 Å²	89.8	59%	0.594	45%	0.453	S	S	*	.			trans	-72.4	87.8	-178.3	-63.9	-40.7	0	0	0	110.9	L546 Q697	N544-L546 PolarHBondContact O-N 2.77Å; N544-Q697 PolarHBondContact O-NE2 2.99Å
545	S	41.9	Very low	51.8	Low	78 Å²	78	83.9 Å²	83.9	55%	0.545	42%	0.417	S	S	.	.			trans	-56	112.8	164.4	56	0	0	0	0	108.9	E543 S547	E543-S545 PolarHBondContact O-N 2.67Å; S545-S547 PolarHBondContact O-N 3.24Å
546	L	54.8	Low	54.7	Low	12 Å²	12	72.6 Å²	72.6	6%	0.063	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-59.6	132	174.5	-81	118.4	0	0	0	110	N544 W551 Y604 L695 Q697	N544-L546 PolarHBondContact O-N 2.77Å; L546-W551 HydrophobicContact CD2-CG 4.4Å; L546-W551 VanDerWaalsContact CD2-NE1 3.29Å; L546-Y604 HydrophobicContact CB-CE2 4.17Å; L546-L695 WeakPolarHBondContact CD1-O 3.38Å; L546-Q697 HydrophobicContact CD1-CB 3.79Å; L546-Q697 HydrophobicContact CD1-CG 3.61Å; L546-Q697 HydrophobicContact CD2-CB 4.05Å; L546-Q697 HydrophobicContact CD2-CG 4.16Å; L546-Q697 HydrophobicContact CG-CB 4.14Å; L546-Q697 HydrophobicContact CG-CG 3.78Å
547	S	55.5	Low	57.8	Low	21 Å²	21	63.7 Å²	63.7	15%	0.147	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-63.8	139.1	158.5	53.4	0	0	0	0	109.5	E414 V532 S545 G549 G550	E414-S547 VanDerWaalsContact CD-CA 3.45Å; E414-S547 WeakPolarHBondContact OE1-CA 3.48Å; E414-S547 WeakPolarHBondContact OE2-CA 3.1Å; E414-S547 WeakPolarHBondContact OE2-CB 3.33Å; V532-S547 WeakPolarHBondContact CG1-OG 3.26Å; S545-S547 PolarHBondContact O-N 3.24Å; S547-G549 PolarHBondContact O-N 3.04Å; S547-G550 VanDerWaalsContact O-CA 3.25Å; S547-G550 WeakPolarHBondContact O-CA 3.49Å; S547-G550 PolarHBondContact O-N 3.25Å
548	R	62.8	Low	60.8	Low	41 Å²	41	55.2 Å²	55.2	16%	0.155	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.5	172.4	-73.2	164.1	-62.5	168.1	12.6	110.4	E414 E418 Y462 G550 Y604 Y612	E414-R548 IonicContact OE1-CZ 3.25Å; E414-R548 PolarHBondContact OE1-N 3.24Å; E414-R548 IonicContact OE1-NE 3.28Å; E414-R548 PolarHBondContact OE1-NE 2.76Å; E414-R548 IonicContact OE1-NH2 2.77Å; E418-R548 IonicContact OE1-CZ 2.77Å; E418-R548 IonicContact OE1-NH2 3.45Å; E418-R548 PolarHBondContact OE1-NH2 3.34Å; E418-R548 IonicContact OE2-CZ 3.22Å; E418-R548 IonicContact OE2-NH1 3.77Å; E418-R548 PolarHBondContact OE2-NH1 3.09Å; E418-R548 IonicContact OE2-NH2 3.58Å; E418-R548 PolarHBondContact OE2-NH2 3.14Å; Y462-R548 WeakPolarHBondContact OH-CD 3.18Å; R548-G550 PolarHBondContact O-N 2.7Å; R548-Y604 HydrophobicContact CG-CD1 3.82Å; R548-Y604 HydrophobicContact CG-CD2 4.37Å; R548-Y604 HydrophobicContact CG-CE1 4.17Å; R548-Y604 HydrophobicContact CG-CG 3.92Å; R548-Y612 WeakPolarHBondContact CB-OH 3.14Å; R548-Y612 WeakPolarHBondContact CD-OH 3.49Å; R548-Y612 WeakPolarHBondContact CG-OH 3.16Å
549	G	58	Low	63.8	Low	12 Å²	12	44.9 Å²	44.9	12%	0.124	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	19.5	-167.1	0	0	0	0	0	115.2	S547 W551	S547-G549 PolarHBondContact O-N 3.04Å; G549-W551 PolarHBondContact O-N 3.12Å
550	G	71.9	Confident	66.4	Low	2 Å²	2	43.8 Å²	43.8	2%	0.021	25%	0.25	C	C	.	.	S	Bend	trans	-58.5	-27.2	176.5	0	0	0	0	0	113.2	R530 S547 R548	R530-G550 WeakPolarHBondContact CD-O 3.4Å; R530-G550 PolarHBondContact NE-O 3.32Å; S547-G550 VanDerWaalsContact O-CA 3.25Å; S547-G550 WeakPolarHBondContact O-CA 3.49Å; S547-G550 PolarHBondContact O-N 3.25Å; R548-G550 PolarHBondContact O-N 2.7Å
551	W	86.8	Confident	68.5	Low	6 Å²	6	37.2 Å²	37.2	2%	0.023	23%	0.226	C	C	.	.	S	Bend	trans	-131	81.8	175.7	-60.6	102.6	0	0	0	110.4	L546 G549 W553 Q554 H680 T682 V744 W752	L546-W551 HydrophobicContact CD2-CG 4.4Å; L546-W551 VanDerWaalsContact CD2-NE1 3.29Å; G549-W551 PolarHBondContact O-N 3.12Å; W551-W553 AromaticContact CE3-CE2 3.77Å; W551-W553 HydrophobicContact CE3-CH2 4.31Å; W551-W553 AromaticContact CE3-CZ2 3.36Å; W551-W553 HydrophobicContact CE3-CZ2 3.36Å; W551-W553 AromaticContact CE3-NE1 3.76Å; W551-W553 AromaticContact CZ3-CZ2 3.66Å; W551-W553 HydrophobicContact CZ3-CZ2 3.66Å; W551-W553 PolarHBondContact O-N 3.42Å; W551-W553 VanDerWaalsContact O-N 3.08Å; W551-Q554 HydrophobicContact CB-CB 4.35Å; W551-Q554 WeakPolarHBondContact O-CB 3.33Å; W551-Q554 PolarHBondContact O-N 3.48Å; W551-H680 HydrophobicContact CH2-CB 3.54Å; W551-H680 AromaticContact CH2-CD2 3.77Å; W551-H680 AromaticContact CH2-CG 3.55Å; W551-H680 HydrophobicContact CZ2-CB 3.59Å; W551-H680 AromaticContact CZ2-CG 3.55Å; W551-H680 AromaticContact CZ2-ND1 3.71Å; W551-H680 HydrophobicContact CZ3-CB 4.43Å; W551-T682 HydrophobicContact CB-CG2 4.24Å; W551-T682 HydrophobicContact CD2-CG2 3.81Å; W551-T682 HydrophobicContact CG-CG2 3.52Å; W551-V744 HydrophobicContact CE3-CG2 3.97Å; W551-V744 HydrophobicContact CH2-CG2 4.2Å; W551-V744 HydrophobicContact CZ3-CG2 3.56Å; W551-W752 HydrophobicContact CH2-CD2 4.29Å; W551-W752 AromaticContact CH2-CE3 3.92Å; W551-W752 HydrophobicContact CH2-CE3 3.92Å; W551-W752 AromaticContact CH2-CH2 3.57Å; W551-W752 HydrophobicContact CH2-CH2 3.57Å; W551-W752 AromaticContact CH2-CZ2 3.95Å; W551-W752 HydrophobicContact CH2-CZ2 3.95Å; W551-W752 AromaticContact CH2-CZ3 3.54Å; W551-W752 HydrophobicContact CH2-CZ3 3.54Å; W551-W752 AromaticContact CZ3-CD2 3.78Å; W551-W752 HydrophobicContact CZ3-CD2 3.78Å; W551-W752 AromaticContact CZ3-CE3 3.6Å; W551-W752 HydrophobicContact CZ3-CE3 3.6Å; W551-W752 HydrophobicContact CZ3-CG 4.5Å; W551-W752 HydrophobicContact CZ3-CH2 4.06Å; W551-W752 HydrophobicContact CZ3-CZ2 4.21Å; W551-W752 AromaticContact CZ3-CZ3 3.75Å; W551-W752 HydrophobicContact CZ3-CZ3 3.75Å
552	P	89	Confident	69.6	Low	3 Å²	3	41.2 Å²	41.2	2%	0.019	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.9	-165.9	29.8	-37.8	0	0	0	114.2	H659 V660 L661	P552-H659 VanDerWaalsContact CA-O 3.25Å; P552-H659 WeakPolarHBondContact CA-O 3.28Å; P552-H659 WeakPolarHBondContact CB-O 3.39Å; P552-V660 WeakPolarHBondContact O-CA 3.22Å; P552-L661 CarbonylContact C-O 3.5Å; P552-L661 VanDerWaalsContact C-O 3.26Å; P552-L661 HydrophobicContact CB-CB 3.92Å; P552-L661 HydrophobicContact CB-CG 4.26Å; P552-L661 HydrophobicContact CG-CB 3.87Å; P552-L661 HydrophobicContact CG-CD1 4.2Å; P552-L661 HydrophobicContact CG-CG 4.35Å; P552-L661 PolarHBondContact O-N 3.05Å
553	W	92.3	Very high	71	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7	173.5	42.5	77.6	0	0	0	113.8	L529 R530 W551 A555 T573 L574 L661 A663 V744 W752	L529-W553 WeakPolarHBondContact O-CZ3 3.42Å; R530-W553 HydrophobicContact CB-CH2 4.41Å; W551-W553 AromaticContact CE3-CE2 3.77Å; W551-W553 HydrophobicContact CE3-CH2 4.31Å; W551-W553 AromaticContact CE3-CZ2 3.36Å; W551-W553 HydrophobicContact CE3-CZ2 3.36Å; W551-W553 AromaticContact CE3-NE1 3.76Å; W551-W553 AromaticContact CZ3-CZ2 3.66Å; W551-W553 HydrophobicContact CZ3-CZ2 3.66Å; W551-W553 PolarHBondContact O-N 3.42Å; W551-W553 VanDerWaalsContact O-N 3.08Å; W553-A555 PolarHBondContact O-N 2.79Å; W553-T573 HydrophobicContact CB-CG2 4.1Å; W553-T573 HydrophobicContact CG-CG2 4.29Å; W553-T573 CarbonylContact O-C 3.56Å; W553-T573 WeakPolarHBondContact O-CA 3.27Å; W553-L574 HydrophobicContact CB-CB 4.37Å; W553-L574 PolarHBondContact O-N 2.87Å; W553-L661 WeakPolarHBondContact CA-O 3.37Å; W553-L661 WeakPolarHBondContact CB-O 3.44Å; W553-L661 PolarHBondContact N-O 3.13Å; W553-L661 VanDerWaalsContact N-O 3.12Å; W553-A663 HydrophobicContact CB-CB 3.87Å; W553-A663 HydrophobicContact CD2-CB 3.81Å; W553-A663 HydrophobicContact CE3-CB 4.23Å; W553-A663 HydrophobicContact CG-CB 3.65Å; W553-V744 HydrophobicContact CZ2-CG2 4.47Å; W553-W752 HydrophobicContact CH2-CB 3.24Å; W553-W752 AromaticContact CH2-CD1 3.62Å; W553-W752 HydrophobicContact CH2-CD2 4.34Å; W553-W752 AromaticContact CH2-CG 3.42Å; W553-W752 HydrophobicContact CH2-CG 3.42Å; W553-W752 VanDerWaalsContact CH2-CG 3.42Å; W553-W752 HydrophobicContact CZ2-CB 3.42Å; W553-W752 VanDerWaalsContact CZ2-CB 3.42Å; W553-W752 HydrophobicContact CZ2-CD2 4.25Å; W553-W752 AromaticContact CZ2-CG 3.68Å; W553-W752 HydrophobicContact CZ2-CG 3.68Å; W553-W752 HydrophobicContact CZ3-CB 4.13Å
554	Q	93.4	Very high	71.8	Confident	5 Å²	5	43.6 Å²	43.6	2%	0.023	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.9	179.9	-179.5	66.4	52.5	0	0	109.8	W551 G572 T682 W684 L695 P742	W551-Q554 HydrophobicContact CB-CB 4.35Å; W551-Q554 WeakPolarHBondContact O-CB 3.33Å; W551-Q554 PolarHBondContact O-N 3.48Å; Q554-G572 PolarHBondContact NE2-O 3.21Å; Q554-T682 PolarHBondContact OE1-O 2.69Å; Q554-T682 PolarHBondContact OE1-OG1 3.24Å; Q554-W684 HydrophobicContact CG-CH2 3.52Å; Q554-W684 HydrophobicContact CG-CZ2 4.48Å; Q554-W684 HydrophobicContact CG-CZ3 3.59Å; Q554-L695 HydrophobicContact CB-CD2 4.28Å; Q554-L695 HydrophobicContact CG-CD1 3.77Å; Q554-L695 HydrophobicContact CG-CD2 4.06Å; Q554-P742 VanDerWaalsContact OE1-CD 3.25Å
555	A	93.6	Very high	72.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.9	175.1	0	0	0	0	0	110.6	W553 G571 G572 V580 V599 L601	W553-A555 PolarHBondContact O-N 2.79Å; A555-G571 CarbonylContact O-C 3.58Å; A555-G571 WeakPolarHBondContact O-CA 3.28Å; A555-G572 PolarHBondContact N-O 3Å; A555-G572 PolarHBondContact O-N 3.16Å; A555-V580 HydrophobicContact CB-CG1 3.84Å; A555-V580 HydrophobicContact CB-CG2 4.31Å; A555-V599 HydrophobicContact CB-CG1 4.05Å; A555-L601 HydrophobicContact CB-CD2 3.54Å
556	A	92.1	Very high	74.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.7	171.9	0	0	0	0	0	109.6	R558 L568 V599 R600 W684	A556-R558 HydrophobicContact CB-CG 4.31Å; A556-L568 HydrophobicContact CB-CD1 3.83Å; A556-V599 WeakPolarHBondContact O-CA 3.39Å; A556-R600 HydrophobicContact CB-CB 4.37Å; A556-R600 PolarHBondContact N-O 2.9Å; A556-R600 PolarHBondContact O-N 3.5Å; A556-W684 HydrophobicContact CB-CE3 4.4Å; A556-W684 HydrophobicContact CB-CH2 3.92Å; A556-W684 HydrophobicContact CB-CZ3 3.73Å
557	I	91.7	Very high	75.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.8	174.7	-56.4	176.8	0	0	0	107.9	V569 C570 T582 F587 Y597 V599 V639	I557-V569 WeakPolarHBondContact O-CB 3.47Å; I557-V569 PolarHBondContact O-N 2.97Å; I557-C570 WeakPolarHBondContact CB-O 3.24Å; I557-C570 PolarHBondContact N-O 3.07Å; I557-C570 PolarHBondContact O-N 2.92Å; I557-T582 HydrophobicContact CD1-CG2 3.65Å; I557-F587 HydrophobicContact CD1-CZ 4.35Å; I557-F587 HydrophobicContact CG2-CE1 4.49Å; I557-Y597 HydrophobicContact CG2-CD1 4.05Å; I557-V599 HydrophobicContact CG1-CG2 4.4Å; I557-V639 HydrophobicContact CD1-CG2 4.3Å
558	R	90	Very high	76.7	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153	-172.4	-51.8	-179.4	76	126.1	-7.2	110.9	A556 D565 G566 R567 L568 Y597 K598 D603 S606	A556-R558 HydrophobicContact CB-CG 4.31Å; R558-D565 IonicContact NH2-OD1 3.62Å; R558-D565 PolarHBondContact NH2-OD1 2.86Å; R558-G566 VanDerWaalsContact CZ-O 3.24Å; R558-G566 PolarHBondContact NE-O 3.35Å; R558-G566 PolarHBondContact NH2-O 3.25Å; R558-R567 WeakPolarHBondContact CA-O 3.34Å; R558-L568 HydrophobicContact CG-CD1 4.26Å; R558-Y597 WeakPolarHBondContact O-CA 3.45Å; R558-K598 HydrophobicContact CB-CG 4.02Å; R558-K598 PolarHBondContact N-O 2.96Å; R558-K598 PolarHBondContact O-N 3.12Å; R558-D603 IonicContact NH1-OD2 2.89Å; R558-D603 PolarHBondContact NH1-OD2 3.03Å; R558-S606 VanDerWaalsContact CZ-O 3.3Å; R558-S606 PolarHBondContact NH1-O 3.35Å; R558-S606 PolarHBondContact NH2-O 3.21Å
559	L	88.6	Confident	77.9	Confident	27 Å²	27	44.4 Å²	44.4	14%	0.141	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	146.2	169.5	-66.4	173.6	0	0	0	110.6	G561 G566 R567 V569 Y590 Q596 Y597	L559-G561 PolarHBondContact O-N 3Å; L559-G566 WeakPolarHBondContact O-CA 3.48Å; L559-R567 PolarHBondContact N-O 2.81Å; L559-V569 HydrophobicContact CD1-CG2 4.26Å; L559-V569 HydrophobicContact CD2-CG2 3.89Å; L559-V569 HydrophobicContact CG-CG2 3.55Å; L559-Y590 HydrophobicContact CD1-CD1 4.07Å; L559-Y590 HydrophobicContact CD1-CD2 4.09Å; L559-Y590 HydrophobicContact CD1-CE1 3.91Å; L559-Y590 HydrophobicContact CD1-CE2 3.93Å; L559-Y590 HydrophobicContact CD1-CG 4.16Å; L559-Y590 HydrophobicContact CD2-CD2 4.22Å; L559-Y590 HydrophobicContact CD2-CG 4.11Å; L559-Q596 CarbonylContact C-O 3.51Å; L559-Q596 VanDerWaalsContact CA-O 3.28Å; L559-Q596 WeakPolarHBondContact CA-O 3.42Å; L559-Y597 HydrophobicContact CD2-CD1 3.98Å; L559-Y597 HydrophobicContact CD2-CE1 3.66Å
560	R	83.3	Confident	79.4	Confident	125 Å²	125	44 Å²	44	47%	0.472	23%	0.229	S	C	.	.			trans	-75.1	111.6	167.5	-81.9	179.7	142.2	163.3	-1.2	109.1	K595 Q596 K598	R560-K595 WeakPolarHBondContact CD-O 3.48Å; R560-Q596 PolarHBondContact N-O 2.03Å; R560-K598 HydrophobicContact CG-CB 4.17Å; R560-K598 HydrophobicContact CG-CD 4.15Å; R560-K598 HydrophobicContact CG-CG 4.19Å
561	G	67.8	Low	80.4	Confident	39 Å²	39	43.9 Å²	43.9	40%	0.402	23%	0.228	S	C	.	.			trans	-104.4	154	174.5	0	0	0	0	0	112.1	L559 R563 G564	L559-G561 PolarHBondContact O-N 3Å; G561-R563 PolarHBondContact O-N 3.42Å; G561-R563 VanDerWaalsContact O-N 3.13Å; G561-G564 PolarHBondContact O-N 2.84Å
562	S	52.4	Low	80.7	Confident	138 Å²	138	43.6 Å²	43.6	97%	0.965	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.8	-177.4	-36.8	0	0	0	0	114.8
563	R	52.8	Low	81.1	Confident	244 Å²	244	43.4 Å²	43.4	92%	0.921	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	17.6	-178	-62.8	-172.6	-177.6	-168.3	0.5	113.8	G561 D565	G561-R563 PolarHBondContact O-N 3.42Å; G561-R563 VanDerWaalsContact O-N 3.13Å; R563-D565 PolarHBondContact O-N 3.33Å
564	G	51.2	Low	81.2	Confident	46 Å²	46	43.4 Å²	43.4	47%	0.474	23%	0.226	S	C	.	.	S	Bend	trans	78.6	-32.4	177.9	0	0	0	0	0	115.4	G561 G566 K598	G561-G564 PolarHBondContact O-N 2.84Å; G564-G566 PolarHBondContact O-N 2.89Å; G564-K598 PolarHBondContact O-NZ 3.41Å
565	D	59.6	Low	81.2	Confident	94 Å²	94	43.3 Å²	43.3	50%	0.503	23%	0.226	S	C	.	.			trans	-82.3	94.1	174	-166.5	8	0	0	0	111.3	R558 R563 L607	R558-D565 IonicContact NH2-OD1 3.62Å; R558-D565 PolarHBondContact NH2-OD1 2.86Å; R563-D565 PolarHBondContact O-N 3.33Å; D565-L607 WeakPolarHBondContact OD2-CD2 3.39Å
566	G	69.2	Low	80.9	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-81.6	133.9	-179.2	0	0	0	0	0	112.1	R558 L559 G564 L568	R558-G566 VanDerWaalsContact CZ-O 3.24Å; R558-G566 PolarHBondContact NE-O 3.35Å; R558-G566 PolarHBondContact NH2-O 3.25Å; L559-G566 WeakPolarHBondContact O-CA 3.48Å; G564-G566 PolarHBondContact O-N 2.89Å; G566-L568 PolarHBondContact O-N 3.26Å
567	R	80	Confident	80.6	Confident	129 Å²	129	46.1 Å²	46.1	49%	0.487	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-61.2	129.2	174.1	-179.2	-179.3	176.9	158.6	6.8	110.9	R558 L559 V569	R558-R567 WeakPolarHBondContact CA-O 3.34Å; L559-R567 PolarHBondContact N-O 2.81Å; R567-V569 PolarHBondContact O-N 3.27Å
568	L	84.8	Confident	80.5	Confident	29 Å²	29	47.2 Å²	47.2	15%	0.152	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.3	170.3	-177.7	71.1	0	0	0	110.3	A556 R558 G566 W684	A556-L568 HydrophobicContact CB-CD1 3.83Å; R558-L568 HydrophobicContact CG-CD1 4.26Å; G566-L568 PolarHBondContact O-N 3.26Å; L568-W684 HydrophobicContact CD2-CB 3.6Å; L568-W684 HydrophobicContact CD2-CE3 4.42Å; L568-W684 HydrophobicContact CD2-CG 4.35Å
569	V	87.6	Confident	80.7	Confident	26 Å²	26	48 Å²	48	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-53	176.6	-177.7	0	0	0	0	109.6	I557 L559 R567 C586 Y597	I557-V569 WeakPolarHBondContact O-CB 3.47Å; I557-V569 PolarHBondContact O-N 2.97Å; L559-V569 HydrophobicContact CD1-CG2 4.26Å; L559-V569 HydrophobicContact CD2-CG2 3.89Å; L559-V569 HydrophobicContact CG-CG2 3.55Å; R567-V569 PolarHBondContact O-N 3.27Å; V569-C586 HydrophobicContact CG1-CB 4.44Å; V569-C586 WeakPolarHBondContact CG1-O 3.47Å; V569-Y597 HydrophobicContact CG2-CE1 4.21Å
570	C	90.1	Very high	81.1	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	160.2	-173.3	-83.3	0	0	0	0	111.3	I557 C586 S739	I557-C570 WeakPolarHBondContact CB-O 3.24Å; I557-C570 PolarHBondContact N-O 3.07Å; I557-C570 PolarHBondContact O-N 2.92Å; C570-C586 HydrophobicContact CB-CB 3.76Å; C570-C586 WeakPolarHBondContact CB-SG 3.49Å; C570-C586 VanDerWaalsContact SG-CA 3.57Å; C570-C586 WeakPolarHBondContact SG-CB 3.33Å; C570-C586 CovalentContact SG-SG 2.01Å; C570-C586 PolarHBondContact SG-SG 3.12Å; C570-S739 CarbonylContact C-O 3.26Å; C570-S739 WeakPolarHBondContact CA-O 3.36Å; C570-S739 WeakPolarHBondContact CB-O 3.44Å; C570-S739 VanDerWaalsContact SG-CB 3.53Å; C570-S739 PolarHBondContact SG-O 2.79Å
571	G	91.8	Very high	81.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	171.4	160.3	0	0	0	0	0	112.2	A555 T582 S739 G740	A555-G571 CarbonylContact O-C 3.58Å; A555-G571 WeakPolarHBondContact O-CA 3.28Å; G571-T582 PolarHBondContact O-OG1 2.98Å; G571-S739 PolarHBondContact N-O 3.3Å; G571-G740 CarbonylContact C-O 3.43Å; G571-G740 CarbonylContact O-C 3.51Å; G571-G740 VanDerWaalsContact O-C 3.22Å; G571-G740 WeakPolarHBondContact O-CA 3.45Å
572	G	94.4	Very high	83.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	172.3	173.1	0	0	0	0	0	110.5	Q554 A555 L581 G740	Q554-G572 PolarHBondContact NE2-O 3.21Å; A555-G572 PolarHBondContact N-O 3Å; A555-G572 PolarHBondContact O-N 3.16Å; G572-L581 CarbonylContact C-O 3.55Å; G572-L581 VanDerWaalsContact CA-O 3.32Å; G572-L581 WeakPolarHBondContact CA-O 3.37Å; G572-G740 WeakPolarHBondContact CA-O 3.3Å
573	T	96.3	Very high	85.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120	178.3	-46.4	0	0	0	0	109.7	W553 I575 V580 L581 A663 P742 V754	W553-T573 HydrophobicContact CB-CG2 4.1Å; W553-T573 HydrophobicContact CG-CG2 4.29Å; W553-T573 CarbonylContact O-C 3.56Å; W553-T573 WeakPolarHBondContact O-CA 3.27Å; T573-I575 HydrophobicContact CG2-CG2 4.3Å; T573-I575 PolarHBondContact O-N 2.67Å; T573-V580 CarbonylContact O-C 3.51Å; T573-V580 WeakPolarHBondContact O-CA 3.44Å; T573-L581 PolarHBondContact N-O 3.26Å; T573-L581 PolarHBondContact O-N 2.99Å; T573-A663 HydrophobicContact CG2-CB 3.62Å; T573-P742 HydrophobicContact CG2-CB 4.15Å; T573-P742 VanDerWaalsContact OG1-CB 3.24Å; T573-P742 WeakPolarHBondContact OG1-CB 3.49Å; T573-V754 HydrophobicContact CG2-CB 4.29Å; T573-V754 HydrophobicContact CG2-CG2 4.27Å
574	L	94.7	Very high	87.1	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	120.8	168.9	-169.8	70.3	0	0	0	108.9	W553 D576 V580 L601 L641 V654 F656 V660 P662 A663	W553-L574 HydrophobicContact CB-CB 4.37Å; W553-L574 PolarHBondContact O-N 2.87Å; L574-D576 WeakPolarHBondContact CD1-O 3.49Å; L574-V580 HydrophobicContact CD1-CG2 3.97Å; L574-L601 HydrophobicContact CB-CD2 4.21Å; L574-L601 HydrophobicContact CD1-CD1 3.97Å; L574-L601 HydrophobicContact CD1-CD2 4.35Å; L574-L601 HydrophobicContact CD2-CD1 4.19Å; L574-L641 HydrophobicContact CD1-CD1 4.3Å; L574-V654 HydrophobicContact CD1-CG2 4.15Å; L574-V654 HydrophobicContact CD2-CG1 4.07Å; L574-F656 HydrophobicContact CD2-CE1 4.33Å; L574-V660 HydrophobicContact CD2-CG1 3.85Å; L574-P662 HydrophobicContact CG-CB 4.38Å; L574-P662 CarbonylContact O-C 3.56Å; L574-P662 VanDerWaalsContact O-CA 3.26Å; L574-P662 WeakPolarHBondContact O-CA 3.25Å; L574-A663 PolarHBondContact O-N 2.77Å
575	I	93.1	Very high	89	Confident	3 Å²	3	20.6 Å²	20.6	2%	0.015	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-15.7	-179.2	56	161.8	0	0	0	112.4	T573 W579 L581 L638 L665 V754 I783 T787	T573-I575 HydrophobicContact CG2-CG2 4.3Å; T573-I575 PolarHBondContact O-N 2.67Å; I575-W579 HydrophobicContact CD1-CB 4.26Å; I575-W579 HydrophobicContact CG1-CB 3.96Å; I575-W579 VanDerWaalsContact CG1-O 3.26Å; I575-W579 WeakPolarHBondContact CG1-O 3.45Å; I575-W579 PolarHBondContact N-O 2.89Å; I575-L581 HydrophobicContact CD1-CB 4.19Å; I575-L581 HydrophobicContact CG1-CB 4.39Å; I575-L581 HydrophobicContact CG2-CB 3.87Å; I575-L581 HydrophobicContact CG2-CD2 4.41Å; I575-L638 HydrophobicContact CD1-CD2 3.72Å; I575-L665 HydrophobicContact CB-CD2 4.27Å; I575-L665 HydrophobicContact CB-CG 4.34Å; I575-L665 HydrophobicContact CD1-CD1 4.28Å; I575-L665 HydrophobicContact CD1-CD2 4.33Å; I575-L665 HydrophobicContact CG2-CD2 3.87Å; I575-L665 HydrophobicContact CG2-CG 4.39Å; I575-V754 HydrophobicContact CG2-CG1 4.27Å; I575-I783 HydrophobicContact CD1-CG2 3.81Å; I575-T787 HydrophobicContact CD1-CG2 4.32Å
576	D	87.8	Confident	90.5	Very high	22 Å²	22	16.4 Å²	16.4	12%	0.118	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	170.1	176.3	-147.2	-23.2	0	0	0	109.6	L574 C578 W579 R789	L574-D576 WeakPolarHBondContact CD1-O 3.49Å; D576-C578 PolarHBondContact O-N 2.87Å; D576-C578 VanDerWaalsContact O-N 3.14Å; D576-W579 HydrophobicContact CB-CB 3.91Å; D576-W579 HydrophobicContact CB-CG 4.39Å; D576-W579 PolarHBondContact N-O 3.32Å; D576-W579 PolarHBondContact O-N 2.68Å; D576-R789 IonicContact OD1-NH2 3.79Å; D576-R789 PolarHBondContact OD1-NH2 3.48Å; D576-R789 IonicContact OD2-CZ 3.51Å; D576-R789 IonicContact OD2-NE 2.79Å; D576-R789 PolarHBondContact OD2-NE 3.37Å; D576-R789 IonicContact OD2-NH2 3.12Å; D576-R789 PolarHBondContact OD2-NH2 3.45Å
577	T	86.3	Confident	91.6	Very high	37 Å²	37	16.7 Å²	16.7	23%	0.227	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.4	178.6	55.3	0	0	0	0	112.9	V523 C653 V654 F656	V523-T577 HydrophobicContact CG1-CG2 4.07Å; T577-C653 WeakPolarHBondContact O-CB 3.06Å; T577-V654 WeakPolarHBondContact O-CB 3.47Å; T577-V654 WeakPolarHBondContact O-CG2 3.04Å; T577-V654 PolarHBondContact O-N 2.71Å; T577-F656 HydrophobicContact CG2-CE1 3.86Å; T577-F656 HydrophobicContact CG2-CE2 4.07Å; T577-F656 HydrophobicContact CG2-CZ 3.45Å; T577-F656 VanDerWaalsContact CG2-CZ 3.45Å
578	C	89.9	Confident	91.9	Very high	24 Å²	24	16.8 Å²	16.8	16%	0.162	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	0.7	-178.7	-52	0	0	0	0	114.2	D576 R640 L641 C653	D576-C578 PolarHBondContact O-N 2.87Å; D576-C578 VanDerWaalsContact O-N 3.14Å; C578-R640 CarbonylContact O-C 3.56Å; C578-R640 WeakPolarHBondContact O-CA 3.24Å; C578-L641 PolarHBondContact O-N 2.65Å; C578-C653 HydrophobicContact CB-CB 3.81Å; C578-C653 WeakPolarHBondContact CB-SG 3.47Å; C578-C653 WeakPolarHBondContact SG-CB 3.5Å; C578-C653 CovalentContact SG-SG 2.03Å; C578-C653 PolarHBondContact SG-SG 2.57Å
579	W	93.9	Very high	91.8	Very high	22 Å²	22	24 Å²	24	8%	0.083	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.3	-165.1	-68.9	104.1	0	0	0	113	I575 D576 I622 L638 R640 I786 T787	I575-W579 HydrophobicContact CD1-CB 4.26Å; I575-W579 HydrophobicContact CG1-CB 3.96Å; I575-W579 VanDerWaalsContact CG1-O 3.26Å; I575-W579 WeakPolarHBondContact CG1-O 3.45Å; I575-W579 PolarHBondContact N-O 2.89Å; D576-W579 HydrophobicContact CB-CB 3.91Å; D576-W579 HydrophobicContact CB-CG 4.39Å; D576-W579 PolarHBondContact N-O 3.32Å; D576-W579 PolarHBondContact O-N 2.68Å; W579-I622 HydrophobicContact CH2-CD1 3.79Å; W579-I622 HydrophobicContact CZ3-CD1 3.99Å; W579-L638 HydrophobicContact CE3-CB 3.94Å; W579-L638 HydrophobicContact CZ3-CB 3.89Å; W579-R640 HydrophobicContact CD2-CB 4.49Å; W579-R640 HydrophobicContact CD2-CG 4.46Å; W579-R640 HydrophobicContact CE3-CB 4Å; W579-R640 HydrophobicContact CE3-CG 4.46Å; W579-R640 HydrophobicContact CH2-CB 3.85Å; W579-R640 HydrophobicContact CH2-CG 4.11Å; W579-R640 HydrophobicContact CZ2-CB 4.34Å; W579-R640 HydrophobicContact CZ2-CG 4.1Å; W579-R640 HydrophobicContact CZ3-CB 3.67Å; W579-R640 HydrophobicContact CZ3-CG 4.3Å; W579-I786 HydrophobicContact CH2-CG2 3.71Å; W579-I786 HydrophobicContact CZ2-CG2 4.3Å; W579-I786 HydrophobicContact CZ3-CG2 4.01Å; W579-T787 HydrophobicContact CB-CG2 4.16Å; W579-T787 HydrophobicContact CD2-CG2 3.88Å; W579-T787 HydrophobicContact CG-CG2 3.7Å
580	V	96.3	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128	172.9	175.4	0	0	0	0	109.9	A555 T573 L574 V599 V639 L641	A555-V580 HydrophobicContact CB-CG1 3.84Å; A555-V580 HydrophobicContact CB-CG2 4.31Å; T573-V580 CarbonylContact O-C 3.51Å; T573-V580 WeakPolarHBondContact O-CA 3.44Å; L574-V580 HydrophobicContact CD1-CG2 3.97Å; V580-V599 HydrophobicContact CG2-CG1 4.23Å; V580-V639 HydrophobicContact CB-CB 4.36Å; V580-V639 PolarHBondContact N-O 3.18Å; V580-V639 PolarHBondContact O-N 3.01Å; V580-L641 HydrophobicContact CG2-CD1 4.12Å; V580-L641 HydrophobicContact CG2-CD2 4.13Å; V580-L641 HydrophobicContact CG2-CG 4.3Å
581	L	97.2	Very high	91.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.7	173.6	-171.8	68.4	0	0	0	110	G572 T573 I575 L636 L638 L665 V754 V757 V776 I783	G572-L581 CarbonylContact C-O 3.55Å; G572-L581 VanDerWaalsContact CA-O 3.32Å; G572-L581 WeakPolarHBondContact CA-O 3.37Å; T573-L581 PolarHBondContact N-O 3.26Å; T573-L581 PolarHBondContact O-N 2.99Å; I575-L581 HydrophobicContact CD1-CB 4.19Å; I575-L581 HydrophobicContact CG1-CB 4.39Å; I575-L581 HydrophobicContact CG2-CB 3.87Å; I575-L581 HydrophobicContact CG2-CD2 4.41Å; L581-L636 HydrophobicContact CD1-CD1 3.8Å; L581-L636 HydrophobicContact CD1-CD2 4.36Å; L581-L636 HydrophobicContact CD1-CG 4.07Å; L581-L636 HydrophobicContact CG-CD1 4.27Å; L581-L638 HydrophobicContact CB-CD2 4.47Å; L581-L638 HydrophobicContact CD1-CD2 3.7Å; L581-L638 HydrophobicContact CD1-CG 4.44Å; L581-L665 HydrophobicContact CD2-CD2 4.48Å; L581-V754 HydrophobicContact CD2-CG1 4.26Å; L581-V754 HydrophobicContact CD2-CG2 4.46Å; L581-V757 HydrophobicContact CD2-CG2 3.73Å; L581-V757 HydrophobicContact CG-CG2 3.92Å; L581-V776 HydrophobicContact CD2-CG1 4.06Å; L581-V776 HydrophobicContact CD2-CG2 3.97Å; L581-I783 HydrophobicContact CD1-CD1 3.93Å; L581-I783 HydrophobicContact CD1-CG1 4.33Å; L581-I783 HydrophobicContact CD2-CD1 4.41Å
582	T	96.3	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	-175.2	178.5	-169.6	0	0	0	0	110.5	I557 G571 F587 A637 V639 G740	I557-T582 HydrophobicContact CD1-CG2 3.65Å; G571-T582 PolarHBondContact O-OG1 2.98Å; T582-F587 HydrophobicContact CG2-CE2 3.76Å; T582-F587 HydrophobicContact CG2-CZ 4.09Å; T582-A637 HydrophobicContact CG2-CB 4.09Å; T582-A637 PolarHBondContact N-O 2.81Å; T582-A637 PolarHBondContact O-N 3.03Å; T582-A637 VanDerWaalsContact O-O 3.1Å; T582-V639 HydrophobicContact CG2-CG2 3.9Å; T582-G740 WeakPolarHBondContact OG1-CA 3.41Å
583	S	94.6	Very high	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.			trans	-91	145.6	176	49.5	0	0	0	0	111.8	H585 C586 D635 G740	S583-H585 VanDerWaalsContact C-N 3.33Å; S583-H585 WeakPolarHBondContact CB-ND1 3.41Å; S583-H585 PolarHBondContact O-N 2.96Å; S583-H585 PolarHBondContact OG-CE1 2.71Å; S583-H585 PolarHBondContact OG-ND1 2.98Å; S583-C586 WeakPolarHBondContact O-CB 3.46Å; S583-C586 PolarHBondContact O-N 3.49Å; S583-C586 PolarHBondContact O-SG 2.9Å; S583-C586 PolarHBondContact OG-SG 3.2Å; S583-D635 WeakPolarHBondContact CB-OD1 3.45Å; S583-G740 WeakPolarHBondContact OG-CA 3.43Å; S583-G740 PolarHBondContact OG-N 3.16Å
584	A	94.5	Very high	90.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-69.5	-31	-179.5	0	0	0	0	0	112.8	C586 F587 L623 Y627 D635 A637	A584-C586 PolarHBondContact O-N 2.85Å; A584-C586 VanDerWaalsContact O-N 3.14Å; A584-F587 PolarHBondContact O-N 2.95Å; A584-F587 VanDerWaalsContact O-N 3.14Å; A584-L623 HydrophobicContact CB-CB 4.47Å; A584-L623 HydrophobicContact CB-CD2 4.04Å; A584-Y627 HydrophobicContact CB-CD1 3.42Å; A584-Y627 VanDerWaalsContact CB-CD1 3.42Å; A584-Y627 HydrophobicContact CB-CD2 3.9Å; A584-Y627 HydrophobicContact CB-CE1 3.61Å; A584-Y627 HydrophobicContact CB-CE2 4.09Å; A584-Y627 HydrophobicContact CB-CG 3.56Å; A584-D635 WeakPolarHBondContact CA-OD1 3.3Å; A584-D635 PolarHBondContact N-OD1 2.87Å; A584-A637 HydrophobicContact CB-CB 4.24Å
585	H	91	Very high	90.3	Very high	42 Å²	42	44.6 Å²	44.6	19%	0.194	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.2	-20.2	180	78.5	-101.8	0	0	0	113.7	S583 F587 K588 Y627 D635 S739 S759	S583-H585 VanDerWaalsContact C-N 3.33Å; S583-H585 WeakPolarHBondContact CB-ND1 3.41Å; S583-H585 PolarHBondContact O-N 2.96Å; S583-H585 PolarHBondContact OG-CE1 2.71Å; S583-H585 PolarHBondContact OG-ND1 2.98Å; H585-F587 PolarHBondContact O-N 2.75Å; H585-F587 VanDerWaalsContact O-N 3.17Å; H585-K588 VanDerWaalsContact O-CB 3.27Å; H585-K588 WeakPolarHBondContact O-CB 3.29Å; H585-K588 PolarHBondContact O-N 3.24Å; H585-K588 VanDerWaalsContact O-N 3.07Å; H585-Y627 VanDerWaalsContact CA-OH 3.22Å; H585-Y627 WeakPolarHBondContact CA-OH 3.41Å; H585-Y627 VanDerWaalsContact CB-OH 3.22Å; H585-Y627 WeakPolarHBondContact CB-OH 3.28Å; H585-D635 IonicContact CE1-OD2 3.66Å; H585-D635 IonicContact CG-OD1 2.67Å; H585-D635 IonicContact CG-OD2 3.13Å; H585-D635 PolarHBondContact N-OD1 3.19Å; H585-D635 IonicContact ND1-OD1 3.19Å; H585-D635 PolarHBondContact ND1-OD1 2.8Å; H585-D635 IonicContact ND1-OD2 3.19Å; H585-D635 PolarHBondContact ND1-OD2 2.87Å; H585-S739 PolarHBondContact CE1-OG 2.92Å; H585-S739 WeakPolarHBondContact NE2-CB 3.19Å; H585-S739 PolarHBondContact NE2-OG 3.11Å; H585-S759 PolarHBondContact CE1-O 3.05Å
586	C	90.8	Very high	90.1	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.041	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.2	-30.5	174.3	-66.1	0	0	0	0	112.8	V569 C570 S583 A584	V569-C586 HydrophobicContact CG1-CB 4.44Å; V569-C586 WeakPolarHBondContact CG1-O 3.47Å; C570-C586 HydrophobicContact CB-CB 3.76Å; C570-C586 WeakPolarHBondContact CB-SG 3.49Å; C570-C586 VanDerWaalsContact SG-CA 3.57Å; C570-C586 WeakPolarHBondContact SG-CB 3.33Å; C570-C586 CovalentContact SG-SG 2.01Å; C570-C586 PolarHBondContact SG-SG 3.12Å; S583-C586 WeakPolarHBondContact O-CB 3.46Å; S583-C586 PolarHBondContact O-N 3.49Å; S583-C586 PolarHBondContact O-SG 2.9Å; S583-C586 PolarHBondContact OG-SG 3.2Å; A584-C586 PolarHBondContact O-N 2.85Å; A584-C586 VanDerWaalsContact O-N 3.14Å
587	F	91.6	Very high	90.3	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.026	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-97.3	2.3	-177.2	-53.6	-73.3	0	0	0	113	I557 T582 A584 H585 G591 Y597 I621 L623 A637 V639	I557-F587 HydrophobicContact CD1-CZ 4.35Å; I557-F587 HydrophobicContact CG2-CE1 4.49Å; T582-F587 HydrophobicContact CG2-CE2 3.76Å; T582-F587 HydrophobicContact CG2-CZ 4.09Å; A584-F587 PolarHBondContact O-N 2.95Å; A584-F587 VanDerWaalsContact O-N 3.14Å; H585-F587 PolarHBondContact O-N 2.75Å; H585-F587 VanDerWaalsContact O-N 3.17Å; F587-G591 CarbonylContact O-C 3.54Å; F587-G591 WeakPolarHBondContact O-CA 3.5Å; F587-G591 PolarHBondContact O-N 2.98Å; F587-Y597 HydrophobicContact CD1-CD2 4.48Å; F587-Y597 HydrophobicContact CD1-CE1 4.02Å; F587-Y597 AromaticContact CD1-CE2 3.91Å; F587-Y597 HydrophobicContact CD1-CE2 3.91Å; F587-Y597 AromaticContact CD1-CZ 3.63Å; F587-Y597 HydrophobicContact CE1-CD1 4.26Å; F587-Y597 HydrophobicContact CE1-CD2 4.43Å; F587-Y597 HydrophobicContact CE1-CE1 4.09Å; F587-Y597 HydrophobicContact CE1-CE2 4.28Å; F587-Y597 HydrophobicContact CE1-CG 4.42Å; F587-I621 HydrophobicContact CD1-CD1 3.86Å; F587-I621 HydrophobicContact CD1-CG2 4.05Å; F587-I621 HydrophobicContact CD2-CG2 3.83Å; F587-I621 HydrophobicContact CE1-CD1 3.67Å; F587-I621 HydrophobicContact CE1-CG1 4.2Å; F587-I621 HydrophobicContact CE1-CG2 4.04Å; F587-I621 HydrophobicContact CE2-CG2 3.81Å; F587-I621 HydrophobicContact CG-CG2 3.94Å; F587-I621 HydrophobicContact CZ-CD1 4.41Å; F587-I621 HydrophobicContact CZ-CG1 4.47Å; F587-I621 HydrophobicContact CZ-CG2 3.92Å; F587-L623 HydrophobicContact CB-CD2 4.23Å; F587-L623 HydrophobicContact CD2-CD2 3.58Å; F587-L623 HydrophobicContact CE2-CD2 4.38Å; F587-L623 HydrophobicContact CG-CD2 4.21Å; F587-A637 HydrophobicContact CD2-CB 4.28Å; F587-A637 HydrophobicContact CE2-CB 3.95Å; F587-V639 HydrophobicContact CE2-CG2 4.22Å; F587-V639 HydrophobicContact CZ-CG2 3.63Å
588	K	86.6	Confident	90.5	Very high	132 Å²	132	46 Å²	46	57%	0.574	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-39.1	-179.3	-178.2	179.8	170.7	179.5	0	112.4	H585 S629	H585-K588 VanDerWaalsContact O-CB 3.27Å; H585-K588 WeakPolarHBondContact O-CB 3.29Å; H585-K588 PolarHBondContact O-N 3.24Å; H585-K588 VanDerWaalsContact O-N 3.07Å; K588-S629 WeakPolarHBondContact CE-O 3.36Å; K588-S629 PolarHBondContact NZ-O 3.5Å
589	R	83.5	Confident	90.7	Very high	181 Å²	181	44.9 Å²	44.9	68%	0.683	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-42.8	-172	-176.3	176.3	-178.5	179.4	3.9	113.6
590	Y	83.9	Confident	90.5	Very high	68 Å²	68	45 Å²	45	27%	0.267	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	0.9	-174.4	-56.3	-76.9	0	0	0	112.6	L559 Q596 Y597	L559-Y590 HydrophobicContact CD1-CD1 4.07Å; L559-Y590 HydrophobicContact CD1-CD2 4.09Å; L559-Y590 HydrophobicContact CD1-CE1 3.91Å; L559-Y590 HydrophobicContact CD1-CE2 3.93Å; L559-Y590 HydrophobicContact CD1-CG 4.16Å; L559-Y590 HydrophobicContact CD2-CD2 4.22Å; L559-Y590 HydrophobicContact CD2-CG 4.11Å; Y590-Q596 PolarHBondContact O-OE1 2.84Å; Y590-Y597 WeakPolarHBondContact CB-OH 3.17Å
591	G	86.6	Confident	90.3	Very high	30 Å²	30	45 Å²	45	31%	0.309	22%	0.215	S	C	.	.			trans	81.4	-175.9	-178.6	0	0	0	0	0	113.1	F587 Y597	F587-G591 CarbonylContact O-C 3.54Å; F587-G591 WeakPolarHBondContact O-CA 3.5Å; F587-G591 PolarHBondContact O-N 2.98Å; G591-Y597 VanDerWaalsContact O-CE2 3.29Å; G591-Y597 WeakPolarHBondContact O-CE2 3.37Å; G591-Y597 PolarHBondContact O-OH 3.05Å
592	N	85.9	Confident	89.7	Confident	102 Å²	102	45.4 Å²	45.4	55%	0.545	22%	0.219	S	C	.	.	S	Bend	trans	-105.5	20.9	-176.6	64.6	-10.3	0	0	0	113.2	T594	N592-T594 PolarHBondContact O-N 3.41Å
593	S	90.3	Very high	89.1	Confident	51 Å²	51	45.8 Å²	45.8	36%	0.357	22%	0.221	S	C	.	.			trans	-72.2	112.3	178.9	-175.6	0	0	0	0	110.6	K595 Q596 Y597	S593-K595 PolarHBondContact O-N 3.04Å; S593-Q596 WeakPolarHBondContact O-CB 3.49Å; S593-Q596 PolarHBondContact O-N 3.25Å; S593-Y597 WeakPolarHBondContact O-CD2 3.45Å; S593-Y597 WeakPolarHBondContact O-CE2 3.36Å
594	T	89.3	Confident	88.5	Confident	42 Å²	42	47.5 Å²	47.5	26%	0.258	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-58.8	-33.2	-174.5	59.7	0	0	0	0	113.3	N592 Q596 Y597 V618 D619 I621	N592-T594 PolarHBondContact O-N 3.41Å; T594-Q596 PolarHBondContact O-N 3.27Å; T594-Q596 VanDerWaalsContact O-N 3.15Å; T594-Y597 PolarHBondContact O-N 3.47Å; T594-Y597 VanDerWaalsContact O-N 3.13Å; T594-V618 WeakPolarHBondContact CB-O 3.34Å; T594-V618 HydrophobicContact CG2-CG1 4.03Å; T594-D619 WeakPolarHBondContact CG2-O 3.34Å; T594-I621 HydrophobicContact CG2-CD1 4.36Å; T594-I621 HydrophobicContact CG2-CG1 4.29Å
595	K	87.3	Confident	87.9	Confident	167 Å²	167	47.5 Å²	47.5	73%	0.726	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-61	-23.9	177.7	-65.8	-175	179.9	-178.6	0	113.9	R560 S593 Y597	R560-K595 WeakPolarHBondContact CD-O 3.48Å; S593-K595 PolarHBondContact O-N 3.04Å; K595-Y597 VanDerWaalsContact C-N 3.34Å
596	Q	88.1	Confident	87.2	Confident	83 Å²	83	46.1 Å²	46.1	39%	0.388	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-83.3	-12.8	-178.8	-61.5	-176	20.2	0	0	113	L559 R560 Y590 S593 T594	L559-Q596 CarbonylContact C-O 3.51Å; L559-Q596 VanDerWaalsContact CA-O 3.28Å; L559-Q596 WeakPolarHBondContact CA-O 3.42Å; R560-Q596 PolarHBondContact N-O 2.03Å; Y590-Q596 PolarHBondContact O-OE1 2.84Å; S593-Q596 WeakPolarHBondContact O-CB 3.49Å; S593-Q596 PolarHBondContact O-N 3.25Å; T594-Q596 PolarHBondContact O-N 3.27Å; T594-Q596 VanDerWaalsContact O-N 3.15Å
597	Y	91.8	Very high	86.5	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.4	-172.5	-61.2	-82.4	0	0	0	111.8	I557 R558 L559 V569 F587 Y590 G591 S593 T594 K595 I621	I557-Y597 HydrophobicContact CG2-CD1 4.05Å; R558-Y597 WeakPolarHBondContact O-CA 3.45Å; L559-Y597 HydrophobicContact CD2-CD1 3.98Å; L559-Y597 HydrophobicContact CD2-CE1 3.66Å; V569-Y597 HydrophobicContact CG2-CE1 4.21Å; F587-Y597 HydrophobicContact CD1-CD2 4.48Å; F587-Y597 HydrophobicContact CD1-CE1 4.02Å; F587-Y597 AromaticContact CD1-CE2 3.91Å; F587-Y597 HydrophobicContact CD1-CE2 3.91Å; F587-Y597 AromaticContact CD1-CZ 3.63Å; F587-Y597 HydrophobicContact CE1-CD1 4.26Å; F587-Y597 HydrophobicContact CE1-CD2 4.43Å; F587-Y597 HydrophobicContact CE1-CE1 4.09Å; F587-Y597 HydrophobicContact CE1-CE2 4.28Å; F587-Y597 HydrophobicContact CE1-CG 4.42Å; Y590-Y597 WeakPolarHBondContact CB-OH 3.17Å; G591-Y597 VanDerWaalsContact O-CE2 3.29Å; G591-Y597 WeakPolarHBondContact O-CE2 3.37Å; G591-Y597 PolarHBondContact O-OH 3.05Å; S593-Y597 WeakPolarHBondContact O-CD2 3.45Å; S593-Y597 WeakPolarHBondContact O-CE2 3.36Å; T594-Y597 PolarHBondContact O-N 3.47Å; T594-Y597 VanDerWaalsContact O-N 3.13Å; K595-Y597 VanDerWaalsContact C-N 3.34Å; Y597-I621 HydrophobicContact CD2-CD1 3.63Å; Y597-I621 HydrophobicContact CE2-CD1 3.96Å; Y597-I621 HydrophobicContact CG-CD1 4.37Å
598	K	92	Very high	85.8	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.039	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.2	167.7	58.8	179.3	-170.4	162.2	0	108.8	R558 R560 G564 E615 Y616	R558-K598 HydrophobicContact CB-CG 4.02Å; R558-K598 PolarHBondContact N-O 2.96Å; R558-K598 PolarHBondContact O-N 3.12Å; R560-K598 HydrophobicContact CG-CB 4.17Å; R560-K598 HydrophobicContact CG-CD 4.15Å; R560-K598 HydrophobicContact CG-CG 4.19Å; G564-K598 PolarHBondContact O-NZ 3.41Å; K598-E615 HydrophobicContact CB-CG 4.45Å; K598-E615 VanDerWaalsContact CD-CD 3.48Å; K598-E615 HydrophobicContact CD-CG 4.17Å; K598-E615 WeakPolarHBondContact CD-OE1 3.31Å; K598-E615 WeakPolarHBondContact CE-OE2 3.24Å; K598-E615 IonicContact NZ-OE1 3.2Å; K598-E615 PolarHBondContact NZ-OE1 2.91Å; K598-E615 IonicContact NZ-OE2 2.81Å; K598-E615 PolarHBondContact NZ-OE2 3.46Å; K598-Y616 WeakPolarHBondContact CA-O 3.26Å
599	V	92.3	Very high	85.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.4	177.8	-179.2	0	0	0	0	108.5	A555 A556 I557 V580 L601 E615 Y616 V618 V639 L641	A555-V599 HydrophobicContact CB-CG1 4.05Å; A556-V599 WeakPolarHBondContact O-CA 3.39Å; I557-V599 HydrophobicContact CG1-CG2 4.4Å; V580-V599 HydrophobicContact CG2-CG1 4.23Å; V599-L601 HydrophobicContact CG1-CD2 4.49Å; V599-E615 WeakPolarHBondContact O-CA 3.02Å; V599-Y616 PolarHBondContact N-O 3.48Å; V599-Y616 PolarHBondContact O-N 2.97Å; V599-V618 HydrophobicContact CG2-CG2 3.94Å; V599-V639 HydrophobicContact CG2-CG1 4.12Å; V599-L641 HydrophobicContact CB-CD2 3.6Å; V599-L641 HydrophobicContact CG1-CD2 3.96Å; V599-L641 HydrophobicContact CG2-CD2 3.63Å
600	R	91.4	Very high	84.9	Confident	25 Å²	25	39.2 Å²	39.2	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.6	174.3	-170.5	-177.1	-74.7	-176	0.2	109.9	A556 D603 E613 E614 E615	A556-R600 HydrophobicContact CB-CB 4.37Å; A556-R600 PolarHBondContact N-O 2.9Å; A556-R600 PolarHBondContact O-N 3.5Å; R600-D603 VanDerWaalsContact CD-OD2 3.25Å; R600-D603 WeakPolarHBondContact CD-OD2 3.43Å; R600-D603 HydrophobicContact CG-CB 4Å; R600-D603 IonicContact NH1-OD2 2.67Å; R600-E613 WeakPolarHBondContact CD-OE2 3.46Å; R600-E613 HydrophobicContact CG-CB 4.38Å; R600-E613 HydrophobicContact CG-CG 4.39Å; R600-E613 IonicContact CZ-OE2 3.26Å; R600-E613 IonicContact NE-OE2 3.48Å; R600-E613 PolarHBondContact NE-OE2 3.41Å; R600-E613 IonicContact NH1-OE2 3.61Å; R600-E613 PolarHBondContact NH1-OE2 2.77Å; R600-E614 WeakPolarHBondContact CA-O 3.49Å; R600-E615 IonicContact CZ-OE2 3.19Å; R600-E615 IonicContact NE-OE2 2.84Å; R600-E615 IonicContact NH2-OE2 2.7Å; R600-E615 PolarHBondContact NH2-OE2 2.88Å; R600-E615 VanDerWaalsContact NH2-OE2 3.07Å
601	L	90.5	Very high	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	153.4	177.3	-63.2	171.3	0	0	0	109.3	A555 L574 V599 D603 E613 E614 Y616 L641 V654 V660	A555-L601 HydrophobicContact CB-CD2 3.54Å; L574-L601 HydrophobicContact CB-CD2 4.21Å; L574-L601 HydrophobicContact CD1-CD1 3.97Å; L574-L601 HydrophobicContact CD1-CD2 4.35Å; L574-L601 HydrophobicContact CD2-CD1 4.19Å; V599-L601 HydrophobicContact CG1-CD2 4.49Å; L601-D603 PolarHBondContact O-N 3.08Å; L601-E613 WeakPolarHBondContact O-CA 3.29Å; L601-E614 PolarHBondContact N-O 3.09Å; L601-E614 PolarHBondContact O-N 3.49Å; L601-Y616 HydrophobicContact CD1-CD2 4.07Å; L601-Y616 HydrophobicContact CD1-CE2 3.95Å; L601-L641 HydrophobicContact CD1-CD1 4.19Å; L601-V654 HydrophobicContact CD1-CB 4.25Å; L601-V654 HydrophobicContact CD1-CG1 3.78Å; L601-V654 HydrophobicContact CD1-CG2 3.37Å; L601-V660 HydrophobicContact CB-CG1 4Å; L601-V660 HydrophobicContact CB-CG2 4.15Å; L601-V660 HydrophobicContact CD1-CG1 4Å
602	G	85.4	Confident	83.8	Confident	8 Å²	8	42.7 Å²	42.7	8%	0.082	22%	0.22	C	C	.	.	S	Bend	trans	72.7	-0.3	-177.5	0	0	0	0	0	114.5	Y604 Y612	G602-Y604 PolarHBondContact O-N 2.97Å; G602-Y612 WeakPolarHBondContact O-CD2 3.36Å; G602-Y612 WeakPolarHBondContact O-CE2 3.24Å
603	D	84.6	Confident	83.7	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.043	20%	0.201	C	C	.	.			trans	-61.7	131	177.5	-165.4	-11	0	0	0	110.2	R558 R600 L601 H605 S606 E613 W684	R558-D603 IonicContact NH1-OD2 2.89Å; R558-D603 PolarHBondContact NH1-OD2 3.03Å; R600-D603 VanDerWaalsContact CD-OD2 3.25Å; R600-D603 WeakPolarHBondContact CD-OD2 3.43Å; R600-D603 HydrophobicContact CG-CB 4Å; R600-D603 IonicContact NH1-OD2 2.67Å; L601-D603 PolarHBondContact O-N 3.08Å; D603-H605 PolarHBondContact OD1-N 3.38Å; D603-S606 WeakPolarHBondContact OD1-CA 3.22Å; D603-S606 PolarHBondContact OD1-N 2.74Å; D603-E613 HydrophobicContact CB-CG 4.32Å; D603-W684 HydrophobicContact CB-CH2 4.17Å; D603-W684 HydrophobicContact CB-CZ2 3.88Å; D603-W684 VanDerWaalsContact O-CZ2 3.25Å; D603-W684 WeakPolarHBondContact O-CZ2 3.08Å
604	Y	82.1	Confident	83.5	Confident	35 Å²	35	39 Å²	39	14%	0.137	19%	0.193	C	C	.	.	S	Bend	trans	-116	-48.8	167.4	168.2	-101.9	0	0	0	109.9	Y462 L546 R548 G602 E610 W684 T694 L695	Y462-Y604 HydrophobicContact CE2-CD1 4.26Å; L546-Y604 HydrophobicContact CB-CE2 4.17Å; R548-Y604 HydrophobicContact CG-CD1 3.82Å; R548-Y604 HydrophobicContact CG-CD2 4.37Å; R548-Y604 HydrophobicContact CG-CE1 4.17Å; R548-Y604 HydrophobicContact CG-CG 3.92Å; G602-Y604 PolarHBondContact O-N 2.97Å; Y604-E610 WeakPolarHBondContact CA-OE2 3.41Å; Y604-E610 VanDerWaalsContact CB-OE2 3.31Å; Y604-E610 WeakPolarHBondContact CB-OE2 3.49Å; Y604-E610 PolarHBondContact N-OE2 2.99Å; Y604-W684 PolarHBondContact O-NE1 2.87Å; Y604-W684 VanDerWaalsContact O-NE1 3.15Å; Y604-T694 HydrophobicContact CE1-CG2 4.07Å; Y604-T694 CarbonylContact O-C 3.52Å; Y604-T694 WeakPolarHBondContact O-CA 3.37Å; Y604-L695 HydrophobicContact CD2-CB 4.1Å; Y604-L695 PolarHBondContact O-N 2.89Å
605	H	80.6	Confident	83.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-107.4	103	176.7	-167.6	-68.5	0	0	0	111.9	Y462 D603 L607 V608 E610 K693 T694	Y462-H605 HydrophobicContact CD2-CB 3.65Å; Y462-H605 AromaticContact CD2-CD2 3.92Å; Y462-H605 AromaticContact CD2-CG 3.87Å; Y462-H605 HydrophobicContact CE2-CB 3.65Å; D603-H605 PolarHBondContact OD1-N 3.38Å; H605-L607 PolarHBondContact ND1-N 2.84Å; H605-L607 PolarHBondContact O-N 2.71Å; H605-V608 HydrophobicContact CB-CB 4.19Å; H605-V608 VanDerWaalsContact CE1-CG2 3.44Å; H605-V608 WeakPolarHBondContact CE1-CG2 3.38Å; H605-V608 WeakPolarHBondContact ND1-CB 3.06Å; H605-V608 VanDerWaalsContact ND1-CG2 3.34Å; H605-V608 WeakPolarHBondContact ND1-CG2 3.34Å; H605-V608 PolarHBondContact ND1-N 3.02Å; H605-V608 VanDerWaalsContact ND1-N 3.2Å; H605-V608 PolarHBondContact O-N 3.43Å; H605-E610 PolarHBondContact N-OE2 2.78Å; H605-K693 CarbonylContact C-O 3.59Å; H605-T694 HydrophobicContact CB-CG2 4.47Å; H605-T694 VanDerWaalsContact CD2-CG2 3.43Å; H605-T694 WeakPolarHBondContact CD2-CG2 3.47Å
606	S	76.9	Confident	83.5	Confident	14 Å²	14	31.3 Å²	31.3	10%	0.098	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-17.2	-169.7	60.4	0	0	0	0	117.1	R558 D603 K693	R558-S606 VanDerWaalsContact CZ-O 3.3Å; R558-S606 PolarHBondContact NH1-O 3.35Å; R558-S606 PolarHBondContact NH2-O 3.21Å; D603-S606 WeakPolarHBondContact OD1-CA 3.22Å; D603-S606 PolarHBondContact OD1-N 2.74Å; S606-K693 WeakPolarHBondContact CB-O 3.41Å; S606-K693 PolarHBondContact N-O 3.14Å; S606-K693 PolarHBondContact OG-O 3.01Å
607	L	76.6	Confident	83.7	Confident	62 Å²	62	27.6 Å²	27.6	33%	0.325	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-12.1	-179.9	-57.5	176.5	0	0	0	114.3	M460 D565 H605 K693	M460-L607 HydrophobicContact SD-CB 3.79Å; M460-L607 HydrophobicContact SD-CD1 4.02Å; D565-L607 WeakPolarHBondContact OD2-CD2 3.39Å; H605-L607 PolarHBondContact ND1-N 2.84Å; H605-L607 PolarHBondContact O-N 2.71Å; L607-K693 HydrophobicContact CD1-CD 4.14Å; L607-K693 HydrophobicContact CD1-CG 4.11Å
608	V	76.5	Confident	83.7	Confident	7 Å²	7	28 Å²	28	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	-116.7	106.7	-173.4	173.6	0	0	0	0	107	V459 M460 Y462 H605 E610	V459-V608 HydrophobicContact CG2-CG2 3.87Å; M460-V608 HydrophobicContact CB-CG2 4.08Å; M460-V608 HydrophobicContact CG-CG2 4.34Å; M460-V608 HydrophobicContact SD-CG2 4.28Å; Y462-V608 HydrophobicContact CD2-CB 4.19Å; Y462-V608 HydrophobicContact CD2-CG1 3.99Å; Y462-V608 HydrophobicContact CE2-CG1 4.41Å; H605-V608 HydrophobicContact CB-CB 4.19Å; H605-V608 VanDerWaalsContact CE1-CG2 3.44Å; H605-V608 WeakPolarHBondContact CE1-CG2 3.38Å; H605-V608 WeakPolarHBondContact ND1-CB 3.06Å; H605-V608 VanDerWaalsContact ND1-CG2 3.34Å; H605-V608 WeakPolarHBondContact ND1-CG2 3.34Å; H605-V608 PolarHBondContact ND1-N 3.02Å; H605-V608 VanDerWaalsContact ND1-N 3.2Å; H605-V608 PolarHBondContact O-N 3.43Å; V608-E610 WeakPolarHBondContact O-CG 3.36Å; V608-E610 PolarHBondContact O-N 3.13Å
609	P	75.2	Confident	83.7	Confident	101 Å²	101	31.3 Å²	31.3	66%	0.656	16%	0.162	S	C	*	.			trans	-58	136.4	-176.8	-25.1	33.9	0	0	0	113.3	R458	R458-P609 PolarHBondContact NH1-O 2.68Å
610	E	76.6	Confident	83.8	Confident	10 Å²	10	35.4 Å²	35.4	5%	0.047	18%	0.181	C	C	.	.			trans	-118.4	149.7	178.5	-54.4	170.9	99.4	0	0	110.8	Y462 Y604 H605 V608 Y612 E613	Y462-E610 HydrophobicContact CE2-CG 4.14Å; Y462-E610 WeakPolarHBondContact CE2-OE1 3.04Å; Y462-E610 VanDerWaalsContact CZ-OE1 3.31Å; Y462-E610 PolarHBondContact OH-OE1 3.13Å; Y604-E610 WeakPolarHBondContact CA-OE2 3.41Å; Y604-E610 VanDerWaalsContact CB-OE2 3.31Å; Y604-E610 WeakPolarHBondContact CB-OE2 3.49Å; Y604-E610 PolarHBondContact N-OE2 2.99Å; H605-E610 PolarHBondContact N-OE2 2.78Å; V608-E610 WeakPolarHBondContact O-CG 3.36Å; V608-E610 PolarHBondContact O-N 3.13Å; E610-Y612 HydrophobicContact CB-CD2 4.15Å; E610-Y612 HydrophobicContact CB-CE1 4.24Å; E610-Y612 HydrophobicContact CB-CE2 3.69Å; E610-Y612 VanDerWaalsContact CD-OH 3.29Å; E610-Y612 HydrophobicContact CG-CE2 4.3Å; E610-Y612 PolarHBondContact O-N 3.12Å; E610-Y612 PolarHBondContact OE1-OH 2.86Å; E610-E613 HydrophobicContact CB-CG 4.08Å; E610-E613 WeakPolarHBondContact CB-OE1 3.04Å; E610-E613 WeakPolarHBondContact CG-OE1 3.44Å; E610-E613 PolarHBondContact N-OE1 2.9Å; E610-E613 WeakPolarHBondContact O-CB 3.41Å; E610-E613 PolarHBondContact O-N 3.26Å; E610-E613 VanDerWaalsContact O-N 3.09Å
611	E	73.6	Confident	84	Confident	134 Å²	134	35.1 Å²	35.1	63%	0.626	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.2	-171.3	-44.2	-169.4	129.1	0	0	114.2	Y509	Y509-E611 VanDerWaalsContact CE1-CD 3.4Å; Y509-E611 HydrophobicContact CE1-CG 4.33Å; Y509-E611 WeakPolarHBondContact CE1-OE1 3.45Å; Y509-E611 WeakPolarHBondContact OH-CG 3.27Å; Y509-E611 PolarHBondContact OH-OE1 2.89Å
612	Y	73.8	Confident	84.2	Confident	37 Å²	37	36.5 Å²	36.5	15%	0.145	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.7	178.1	48.2	-106.7	0	0	0	112.4	R548 G602 E610 E614 H659	R548-Y612 WeakPolarHBondContact CB-OH 3.14Å; R548-Y612 WeakPolarHBondContact CD-OH 3.49Å; R548-Y612 WeakPolarHBondContact CG-OH 3.16Å; G602-Y612 WeakPolarHBondContact O-CD2 3.36Å; G602-Y612 WeakPolarHBondContact O-CE2 3.24Å; E610-Y612 HydrophobicContact CB-CD2 4.15Å; E610-Y612 HydrophobicContact CB-CE1 4.24Å; E610-Y612 HydrophobicContact CB-CE2 3.69Å; E610-Y612 VanDerWaalsContact CD-OH 3.29Å; E610-Y612 HydrophobicContact CG-CE2 4.3Å; E610-Y612 PolarHBondContact O-N 3.12Å; E610-Y612 PolarHBondContact OE1-OH 2.86Å; Y612-E614 PolarHBondContact O-N 3.08Å; Y612-H659 WeakPolarHBondContact CB-ND1 3.41Å; Y612-H659 AromaticContact CD1-CE1 3.51Å; Y612-H659 AromaticContact CD1-ND1 3.73Å; Y612-H659 HydrophobicContact CD2-CB 4.24Å; Y612-H659 HydrophobicContact CG-CB 4.31Å; Y612-H659 AromaticContact CG-CE1 3.82Å; Y612-H659 AromaticContact CG-CG 3.92Å; Y612-H659 AromaticContact CG-ND1 3.53Å
613	E	82.9	Confident	84.6	Confident	34 Å²	34	38.8 Å²	38.8	16%	0.159	20%	0.198	C	C	.	.			trans	-72.3	125.8	171.4	-78.3	171.9	-135.6	0	0	110	R600 L601 D603 E610	R600-E613 WeakPolarHBondContact CD-OE2 3.46Å; R600-E613 HydrophobicContact CG-CB 4.38Å; R600-E613 HydrophobicContact CG-CG 4.39Å; R600-E613 IonicContact CZ-OE2 3.26Å; R600-E613 IonicContact NE-OE2 3.48Å; R600-E613 PolarHBondContact NE-OE2 3.41Å; R600-E613 IonicContact NH1-OE2 3.61Å; R600-E613 PolarHBondContact NH1-OE2 2.77Å; L601-E613 WeakPolarHBondContact O-CA 3.29Å; D603-E613 HydrophobicContact CB-CG 4.32Å; E610-E613 HydrophobicContact CB-CG 4.08Å; E610-E613 WeakPolarHBondContact CB-OE1 3.04Å; E610-E613 WeakPolarHBondContact CG-OE1 3.44Å; E610-E613 PolarHBondContact N-OE1 2.9Å; E610-E613 WeakPolarHBondContact O-CB 3.41Å; E610-E613 PolarHBondContact O-N 3.26Å; E610-E613 VanDerWaalsContact O-N 3.09Å
614	E	85.1	Confident	85.1	Confident	40 Å²	40	39.3 Å²	39.3	19%	0.187	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	173	-62.1	177.1	-160.1	0	0	109.1	R600 L601 Y612 Y616	R600-E614 WeakPolarHBondContact CA-O 3.49Å; L601-E614 PolarHBondContact N-O 3.09Å; L601-E614 PolarHBondContact O-N 3.49Å; Y612-E614 PolarHBondContact O-N 3.08Å; E614-Y616 HydrophobicContact CB-CD2 4.31Å; E614-Y616 HydrophobicContact CB-CE2 3.47Å; E614-Y616 VanDerWaalsContact CB-CE2 3.47Å; E614-Y616 WeakPolarHBondContact OE2-CE2 3.37Å; E614-Y616 PolarHBondContact OE2-OH 3.1Å
615	E	88.3	Confident	85.7	Confident	45 Å²	45	42.3 Å²	42.3	21%	0.21	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126	179.8	-169.5	169.3	116.3	0	0	110.4	K598 V599 R600 A645 V646	K598-E615 HydrophobicContact CB-CG 4.45Å; K598-E615 VanDerWaalsContact CD-CD 3.48Å; K598-E615 HydrophobicContact CD-CG 4.17Å; K598-E615 WeakPolarHBondContact CD-OE1 3.31Å; K598-E615 WeakPolarHBondContact CE-OE2 3.24Å; K598-E615 IonicContact NZ-OE1 3.2Å; K598-E615 PolarHBondContact NZ-OE1 2.91Å; K598-E615 IonicContact NZ-OE2 2.81Å; K598-E615 PolarHBondContact NZ-OE2 3.46Å; V599-E615 WeakPolarHBondContact O-CA 3.02Å; R600-E615 IonicContact CZ-OE2 3.19Å; R600-E615 IonicContact NE-OE2 2.84Å; R600-E615 IonicContact NH2-OE2 2.7Å; R600-E615 PolarHBondContact NH2-OE2 2.88Å; R600-E615 VanDerWaalsContact NH2-OE2 3.07Å; E615-A645 CarbonylContact O-C 3.27Å; E615-A645 WeakPolarHBondContact O-CA 3.46Å; E615-V646 HydrophobicContact CG-CG2 4.48Å; E615-V646 PolarHBondContact O-N 3.49Å
616	Y	89.8	Confident	86.3	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.7	-178.3	-67.2	-88.3	0	0	0	111.1	K598 V599 L601 E614 L641 A645 V654	K598-Y616 WeakPolarHBondContact CA-O 3.26Å; V599-Y616 PolarHBondContact N-O 3.48Å; V599-Y616 PolarHBondContact O-N 2.97Å; L601-Y616 HydrophobicContact CD1-CD2 4.07Å; L601-Y616 HydrophobicContact CD1-CE2 3.95Å; E614-Y616 HydrophobicContact CB-CD2 4.31Å; E614-Y616 HydrophobicContact CB-CE2 3.47Å; E614-Y616 VanDerWaalsContact CB-CE2 3.47Å; E614-Y616 WeakPolarHBondContact OE2-CE2 3.37Å; E614-Y616 PolarHBondContact OE2-OH 3.1Å; Y616-L641 HydrophobicContact CD2-CD1 4.35Å; Y616-L641 HydrophobicContact CG-CB 4.44Å; Y616-L641 HydrophobicContact CG-CD1 4.24Å; Y616-A645 HydrophobicContact CE1-CB 4.12Å; Y616-V654 HydrophobicContact CD2-CG2 4.15Å; Y616-V654 HydrophobicContact CE1-CG2 4.18Å; Y616-V654 HydrophobicContact CE2-CB 4.49Å; Y616-V654 HydrophobicContact CE2-CG2 3.69Å; Y616-V654 WeakPolarHBondContact OH-CA 3.4Å
617	G	90.8	Very high	87	Confident	4 Å²	4	46.9 Å²	46.9	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	164.5	164.3	0	0	0	0	0	111.4	S642	G617-S642 VanDerWaalsContact C-OG 3.23Å; G617-S642 PolarHBondContact O-N 2.74Å; G617-S642 PolarHBondContact O-OG 3.44Å
618	V	92.8	Very high	87.6	Confident	10 Å²	10	48.7 Å²	48.7	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.9	171.5	178.7	0	0	0	0	108.8	T594 V599 I621 V639	T594-V618 WeakPolarHBondContact CB-O 3.34Å; T594-V618 HydrophobicContact CG2-CG1 4.03Å; V599-V618 HydrophobicContact CG2-CG2 3.94Å; V618-I621 HydrophobicContact CG1-CD1 4.08Å; V618-I621 HydrophobicContact CG1-CG1 3.61Å; V618-V639 HydrophobicContact CB-CG1 4.35Å; V618-V639 HydrophobicContact CG1-CG1 3.63Å; V618-V639 HydrophobicContact CG2-CG1 3.83Å
619	D	91.8	Very high	87.8	Confident	79 Å²	79	51.5 Å²	51.5	42%	0.422	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-43.8	175.1	-176.5	53.4	0	0	0	111	T594 R640 S642	T594-D619 WeakPolarHBondContact CG2-O 3.34Å; D619-R640 HydrophobicContact CB-CB 4.44Å; D619-R640 HydrophobicContact CB-CG 4.43Å; D619-R640 PolarHBondContact N-O 3.03Å; D619-R640 IonicContact OD2-CZ 3.67Å; D619-R640 IonicContact OD2-NE 3.29Å; D619-R640 IonicContact OD2-NH1 2.97Å; D619-S642 PolarHBondContact N-OG 2.78Å
620	Q	93.7	Very high	88.1	Confident	86 Å²	86	54.2 Å²	54.2	40%	0.402	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141	-175.8	-160.2	178.2	2.9	0	0	111.9	I622 V639 R640	Q620-I622 HydrophobicContact CG-CD1 4.29Å; Q620-I622 HydrophobicContact CG-CG1 3.86Å; Q620-V639 WeakPolarHBondContact O-CA 3.3Å; Q620-R640 HydrophobicContact CB-CB 3.91Å; Q620-R640 PolarHBondContact N-O 3.43Å; Q620-R640 PolarHBondContact O-N 3.37Å
621	I	95.5	Very high	88.4	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.4	170.5	-61.2	164.8	0	0	0	107.8	F587 T594 Y597 V618 L623	F587-I621 HydrophobicContact CD1-CD1 3.86Å; F587-I621 HydrophobicContact CD1-CG2 4.05Å; F587-I621 HydrophobicContact CD2-CG2 3.83Å; F587-I621 HydrophobicContact CE1-CD1 3.67Å; F587-I621 HydrophobicContact CE1-CG1 4.2Å; F587-I621 HydrophobicContact CE1-CG2 4.04Å; F587-I621 HydrophobicContact CE2-CG2 3.81Å; F587-I621 HydrophobicContact CG-CG2 3.94Å; F587-I621 HydrophobicContact CZ-CD1 4.41Å; F587-I621 HydrophobicContact CZ-CG1 4.47Å; F587-I621 HydrophobicContact CZ-CG2 3.92Å; T594-I621 HydrophobicContact CG2-CD1 4.36Å; T594-I621 HydrophobicContact CG2-CG1 4.29Å; Y597-I621 HydrophobicContact CD2-CD1 3.63Å; Y597-I621 HydrophobicContact CE2-CD1 3.96Å; Y597-I621 HydrophobicContact CG-CD1 4.37Å; V618-I621 HydrophobicContact CG1-CD1 4.08Å; V618-I621 HydrophobicContact CG1-CG1 3.61Å; I621-L623 HydrophobicContact CG2-CD2 3.97Å
622	I	95.4	Very high	89	Confident	30 Å²	30	52.7 Å²	52.7	15%	0.154	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	103.5	-177.5	-53.3	174.9	0	0	0	108.2	W579 Q620 A637 L638 W782 I786	W579-I622 HydrophobicContact CH2-CD1 3.79Å; W579-I622 HydrophobicContact CZ3-CD1 3.99Å; Q620-I622 HydrophobicContact CG-CD1 4.29Å; Q620-I622 HydrophobicContact CG-CG1 3.86Å; I622-A637 CarbonylContact O-C 3.23Å; I622-A637 VanDerWaalsContact O-CA 3.28Å; I622-A637 WeakPolarHBondContact O-CA 3.41Å; I622-L638 HydrophobicContact CB-CB 4.48Å; I622-L638 PolarHBondContact N-O 3.24Å; I622-L638 PolarHBondContact O-N 3.46Å; I622-W782 HydrophobicContact CG2-CZ2 3.97Å; I622-I786 HydrophobicContact CD1-CG2 3.42Å; I622-I786 VanDerWaalsContact CD1-CG2 3.42Å
623	L	95	Very high	89.8	Confident	56 Å²	56	51.9 Å²	51.9	29%	0.293	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	146.8	171	-49.9	-175.4	0	0	0	109.3	A584 F587 I621 A637	A584-L623 HydrophobicContact CB-CB 4.47Å; A584-L623 HydrophobicContact CB-CD2 4.04Å; F587-L623 HydrophobicContact CB-CD2 4.23Å; F587-L623 HydrophobicContact CD2-CD2 3.58Å; F587-L623 HydrophobicContact CE2-CD2 4.38Å; F587-L623 HydrophobicContact CG-CD2 4.21Å; I621-L623 HydrophobicContact CG2-CD2 3.97Å; L623-A637 HydrophobicContact CD2-CB 3.71Å
624	H	94.9	Very high	90.3	Very high	19 Å²	19	53 Å²	53	9%	0.088	28%	0.277	C	S	.	.			trans	-59.7	131.6	173.2	-170	-77.3	0	0	0	110.2	N626 Y627 Y634 L636 F779 W782	H624-N626 PolarHBondContact ND1-N 2.87Å; H624-N626 PolarHBondContact O-N 3.37Å; H624-N626 VanDerWaalsContact O-N 3.09Å; H624-Y627 VanDerWaalsContact O-CB 3.22Å; H624-Y627 WeakPolarHBondContact O-CB 3.41Å; H624-Y627 PolarHBondContact O-N 3.37Å; H624-Y634 AromaticContact CE1-CD1 3.22Å; H624-Y634 WeakPolarHBondContact CE1-CD1 3.3Å; H624-Y634 AromaticContact CE1-CE1 3.65Å; H624-Y634 AromaticContact ND1-CD1 3.32Å; H624-Y634 VanDerWaalsContact ND1-CD1 3.32Å; H624-Y634 WeakPolarHBondContact ND1-CD1 3.32Å; H624-Y634 AromaticContact ND1-CG 3.92Å; H624-Y634 AromaticContact NE2-CD1 3.88Å; H624-L636 WeakPolarHBondContact CB-O 3.4Å; H624-L636 PolarHBondContact N-O 2.79Å; H624-F779 AromaticContact CD2-CD1 3.83Å; H624-F779 AromaticContact NE2-CD1 3.82Å; H624-F779 AromaticContact NE2-CE1 3.95Å; H624-W782 HydrophobicContact CB-CH2 4.4Å; H624-W782 HydrophobicContact CB-CZ2 4.22Å; H624-W782 AromaticContact CD2-CD2 3.61Å; H624-W782 AromaticContact CD2-CE2 3.77Å; H624-W782 AromaticContact CD2-CG 3.8Å
625	P	93	Very high	90.7	Very high	98 Å²	98	51 Å²	51	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.8	-172.7	-28.2	34.5	0	0	0	115.1	Y627	P625-Y627 VanDerWaalsContact C-N 3.33Å
626	N	94.1	Very high	91.1	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	2.7	179.5	-60.5	-15.3	0	0	0	113.9	H624 H628 Y634	H624-N626 PolarHBondContact ND1-N 2.87Å; H624-N626 PolarHBondContact O-N 3.37Å; H624-N626 VanDerWaalsContact O-N 3.09Å; N626-H628 PolarHBondContact O-CE1 2.87Å; N626-H628 PolarHBondContact O-ND1 2.04Å; N626-Y634 HydrophobicContact CB-CD1 3.75Å; N626-Y634 HydrophobicContact CB-CD2 3.83Å; N626-Y634 HydrophobicContact CB-CE1 3.94Å; N626-Y634 HydrophobicContact CB-CE2 4.01Å; N626-Y634 HydrophobicContact CB-CG 3.7Å
627	Y	92.4	Very high	91.4	Very high	29 Å²	29	48.7 Å²	48.7	11%	0.114	26%	0.257	C	S	.	.			trans	-73.4	131.4	176	176.3	-109	0	0	0	110.3	A584 H585 H624 P625 S631 Y634 D635	A584-Y627 HydrophobicContact CB-CD1 3.42Å; A584-Y627 VanDerWaalsContact CB-CD1 3.42Å; A584-Y627 HydrophobicContact CB-CD2 3.9Å; A584-Y627 HydrophobicContact CB-CE1 3.61Å; A584-Y627 HydrophobicContact CB-CE2 4.09Å; A584-Y627 HydrophobicContact CB-CG 3.56Å; H585-Y627 VanDerWaalsContact CA-OH 3.22Å; H585-Y627 WeakPolarHBondContact CA-OH 3.41Å; H585-Y627 VanDerWaalsContact CB-OH 3.22Å; H585-Y627 WeakPolarHBondContact CB-OH 3.28Å; H624-Y627 VanDerWaalsContact O-CB 3.22Å; H624-Y627 WeakPolarHBondContact O-CB 3.41Å; H624-Y627 PolarHBondContact O-N 3.37Å; P625-Y627 VanDerWaalsContact C-N 3.33Å; Y627-S631 WeakPolarHBondContact CE2-O 3.47Å; Y627-Y634 WeakPolarHBondContact CB-O 3.34Å; Y627-D635 HydrophobicContact CD2-CB 4.16Å; Y627-D635 HydrophobicContact CE2-CB 3.95Å
628	H	88.6	Confident	91.6	Very high	101 Å²	101	48.5 Å²	48.5	47%	0.468	26%	0.255	S	S	.	.			trans	-124.7	137.7	177.6	-65.1	82.4	0	0	0	109.4	N626 H630 S631	N626-H628 PolarHBondContact O-CE1 2.87Å; N626-H628 PolarHBondContact O-ND1 2.04Å; H628-H630 PolarHBondContact O-N 3.03Å; H628-S631 CarbonylContact O-C 3.52Å; H628-S631 PolarHBondContact O-N 2.79Å
629	S	81.4	Confident	91.8	Very high	66 Å²	66	48.1 Å²	48.1	46%	0.462	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.8	-172.5	65.3	0	0	0	0	115.1	K588	K588-S629 WeakPolarHBondContact CE-O 3.36Å; K588-S629 PolarHBondContact NZ-O 3.5Å
630	H	80.2	Confident	91.9	Very high	158 Å²	158	49.1 Å²	49.1	73%	0.731	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-5.7	177.7	55.8	-93.4	0	0	0	113.3	H628	H628-H630 PolarHBondContact O-N 3.03Å
631	S	84.3	Confident	91.9	Very high	44 Å²	44	45 Å²	45	31%	0.308	23%	0.231	S	C	.	.			trans	-119.8	141	178.3	-178.7	0	0	0	0	109.7	Y627 H628 D633	Y627-S631 WeakPolarHBondContact CE2-O 3.47Å; H628-S631 CarbonylContact O-C 3.52Å; H628-S631 PolarHBondContact O-N 2.79Å; S631-D633 VanDerWaalsContact C-N 3.25Å; S631-D633 WeakPolarHBondContact OG-CB 3.29Å; S631-D633 PolarHBondContact OG-N 3.15Å; S631-D633 VanDerWaalsContact OG-N 3.13Å
632	N	84.6	Confident	91.5	Very high	68 Å²	68	45.7 Å²	45.7	36%	0.364	24%	0.238	S	C	.	.			trans	-88.4	2.6	172.2	-56.7	-37.2	0	0	0	111.9	D635 M720 W760	N632-D635 WeakPolarHBondContact O-CB 3.47Å; N632-M720 HydrophobicContact CB-CE 4.43Å; N632-M720 VanDerWaalsContact O-CE 3.26Å; N632-M720 WeakPolarHBondContact O-CE 2.98Å; N632-W760 HydrophobicContact CB-CD2 4.36Å; N632-W760 HydrophobicContact CB-CG 3.87Å
633	D	90.4	Very high	90.8	Very high	20 Å²	20	48 Å²	48	11%	0.107	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	148.9	174	-162.7	29.9	0	0	0	110.8	S631 D635 T717 R719 M720	S631-D633 VanDerWaalsContact C-N 3.25Å; S631-D633 WeakPolarHBondContact OG-CB 3.29Å; S631-D633 PolarHBondContact OG-N 3.15Å; S631-D633 VanDerWaalsContact OG-N 3.13Å; D633-D635 PolarHBondContact O-N 3.04Å; D633-T717 HydrophobicContact CB-CG2 4.2Å; D633-T717 PolarHBondContact OD1-OG1 3.42Å; D633-R719 IonicContact OD1-CZ 3.02Å; D633-R719 IonicContact OD1-NE 2.57Å; D633-R719 PolarHBondContact OD1-NE 3.09Å; D633-R719 IonicContact OD1-NH2 2.76Å; D633-R719 IonicContact OD2-CZ 2.81Å; D633-R719 VanDerWaalsContact OD2-CZ 3.29Å; D633-R719 IonicContact OD2-NE 3.72Å; D633-R719 PolarHBondContact OD2-NE 2.02Å; D633-R719 IonicContact OD2-NH2 3.88Å; D633-R719 PolarHBondContact OD2-NH2 2.85Å; D633-M720 HydrophobicContact CB-CE 4.1Å
634	Y	93.9	Very high	89.7	Confident	56 Å²	56	45.9 Å²	45.9	22%	0.22	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	23.1	-172.4	-62.2	-89.7	0	0	0	114.5	H624 N626 Y627 L636 F779	H624-Y634 AromaticContact CE1-CD1 3.22Å; H624-Y634 WeakPolarHBondContact CE1-CD1 3.3Å; H624-Y634 AromaticContact CE1-CE1 3.65Å; H624-Y634 AromaticContact ND1-CD1 3.32Å; H624-Y634 VanDerWaalsContact ND1-CD1 3.32Å; H624-Y634 WeakPolarHBondContact ND1-CD1 3.32Å; H624-Y634 AromaticContact ND1-CG 3.92Å; H624-Y634 AromaticContact NE2-CD1 3.88Å; N626-Y634 HydrophobicContact CB-CD1 3.75Å; N626-Y634 HydrophobicContact CB-CD2 3.83Å; N626-Y634 HydrophobicContact CB-CE1 3.94Å; N626-Y634 HydrophobicContact CB-CE2 4.01Å; N626-Y634 HydrophobicContact CB-CG 3.7Å; Y627-Y634 WeakPolarHBondContact CB-O 3.34Å; Y634-L636 VanDerWaalsContact C-N 3.26Å; Y634-L636 PolarHBondContact O-N 2.92Å; Y634-F779 AromaticContact CD1-CE1 3.46Å; Y634-F779 HydrophobicContact CD1-CE1 3.46Å; Y634-F779 VanDerWaalsContact CD1-CE1 3.46Å; Y634-F779 AromaticContact CD1-CZ 3.93Å; Y634-F779 HydrophobicContact CD1-CZ 3.93Å; Y634-F779 AromaticContact CE1-CE1 3.83Å; Y634-F779 HydrophobicContact CE1-CE1 3.83Å; Y634-F779 HydrophobicContact CE1-CZ 4.4Å; Y634-F779 HydrophobicContact CG-CE1 4.41Å
635	D	94.4	Very high	88.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.			trans	-73	77.5	-179.6	-177.1	29.4	0	0	0	112.1	S583 A584 H585 Y627 N632 D633 S759 T774	S583-D635 WeakPolarHBondContact CB-OD1 3.45Å; A584-D635 WeakPolarHBondContact CA-OD1 3.3Å; A584-D635 PolarHBondContact N-OD1 2.87Å; H585-D635 IonicContact CE1-OD2 3.66Å; H585-D635 IonicContact CG-OD1 2.67Å; H585-D635 IonicContact CG-OD2 3.13Å; H585-D635 PolarHBondContact N-OD1 3.19Å; H585-D635 IonicContact ND1-OD1 3.19Å; H585-D635 PolarHBondContact ND1-OD1 2.8Å; H585-D635 IonicContact ND1-OD2 3.19Å; H585-D635 PolarHBondContact ND1-OD2 2.87Å; Y627-D635 HydrophobicContact CD2-CB 4.16Å; Y627-D635 HydrophobicContact CE2-CB 3.95Å; N632-D635 WeakPolarHBondContact O-CB 3.47Å; D633-D635 PolarHBondContact O-N 3.04Å; D635-S759 WeakPolarHBondContact CB-OG 3.13Å; D635-S759 WeakPolarHBondContact OD2-CB 3.26Å; D635-S759 PolarHBondContact OD2-OG 2.76Å; D635-T774 WeakPolarHBondContact O-CB 3.39Å; D635-T774 PolarHBondContact O-OG1 3.23Å
636	L	95.2	Very high	87.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.			trans	-147.9	136.4	-177	-162.1	72.1	0	0	0	110.3	L581 H624 Y634 V757 T774 F779 W782 I783	L581-L636 HydrophobicContact CD1-CD1 3.8Å; L581-L636 HydrophobicContact CD1-CD2 4.36Å; L581-L636 HydrophobicContact CD1-CG 4.07Å; L581-L636 HydrophobicContact CG-CD1 4.27Å; H624-L636 WeakPolarHBondContact CB-O 3.4Å; H624-L636 PolarHBondContact N-O 2.79Å; Y634-L636 VanDerWaalsContact C-N 3.26Å; Y634-L636 PolarHBondContact O-N 2.92Å; L636-V757 HydrophobicContact CD1-CB 4.31Å; L636-V757 HydrophobicContact CD1-CG2 3.88Å; L636-T774 HydrophobicContact CB-CG2 4.2Å; L636-T774 HydrophobicContact CD1-CG2 4.03Å; L636-F779 HydrophobicContact CD2-CB 3.38Å; L636-F779 HydrophobicContact CD2-CD1 4.28Å; L636-F779 HydrophobicContact CD2-CD2 3.86Å; L636-F779 HydrophobicContact CD2-CG 3.57Å; L636-W782 HydrophobicContact CD2-CE3 3.85Å; L636-W782 HydrophobicContact CD2-CZ3 3.66Å; L636-W782 HydrophobicContact CG-CZ3 4.04Å; L636-I783 HydrophobicContact CD2-CD1 4.23Å; L636-I783 HydrophobicContact CD2-CG1 4.3Å
637	A	96.2	Very high	85.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.8	175.8	0	0	0	0	0	111.7	T582 A584 F587 I622 L623	T582-A637 HydrophobicContact CG2-CB 4.09Å; T582-A637 PolarHBondContact N-O 2.81Å; T582-A637 PolarHBondContact O-N 3.03Å; T582-A637 VanDerWaalsContact O-O 3.1Å; A584-A637 HydrophobicContact CB-CB 4.24Å; F587-A637 HydrophobicContact CD2-CB 4.28Å; F587-A637 HydrophobicContact CE2-CB 3.95Å; I622-A637 CarbonylContact O-C 3.23Å; I622-A637 VanDerWaalsContact O-CA 3.28Å; I622-A637 WeakPolarHBondContact O-CA 3.41Å; L623-A637 HydrophobicContact CD2-CB 3.71Å
638	L	96.8	Very high	84.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.6	172	-73.5	170.5	0	0	0	109.5	I575 W579 L581 I622 W782 I783 I786 T787	I575-L638 HydrophobicContact CD1-CD2 3.72Å; W579-L638 HydrophobicContact CE3-CB 3.94Å; W579-L638 HydrophobicContact CZ3-CB 3.89Å; L581-L638 HydrophobicContact CB-CD2 4.47Å; L581-L638 HydrophobicContact CD1-CD2 3.7Å; L581-L638 HydrophobicContact CD1-CG 4.44Å; I622-L638 HydrophobicContact CB-CB 4.48Å; I622-L638 PolarHBondContact N-O 3.24Å; I622-L638 PolarHBondContact O-N 3.46Å; L638-W782 HydrophobicContact CB-CH2 4.38Å; L638-W782 HydrophobicContact CD1-CE3 4.36Å; L638-W782 HydrophobicContact CD1-CH2 3.94Å; L638-W782 HydrophobicContact CD1-CZ3 3.81Å; L638-W782 HydrophobicContact CG-CH2 3.92Å; L638-W782 HydrophobicContact CG-CZ3 3.85Å; L638-I783 HydrophobicContact CD1-CG2 4.42Å; L638-I783 HydrophobicContact CD2-CG2 4.37Å; L638-I786 HydrophobicContact CD1-CB 3.77Å; L638-I786 HydrophobicContact CD1-CG1 4.43Å; L638-I786 HydrophobicContact CD1-CG2 3.59Å; L638-T787 HydrophobicContact CD1-CG2 4.34Å
639	V	96.2	Very high	82.4	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.8	176.3	-176.2	0	0	0	0	107.9	I557 V580 T582 F587 V599 V618 Q620	I557-V639 HydrophobicContact CD1-CG2 4.3Å; V580-V639 HydrophobicContact CB-CB 4.36Å; V580-V639 PolarHBondContact N-O 3.18Å; V580-V639 PolarHBondContact O-N 3.01Å; T582-V639 HydrophobicContact CG2-CG2 3.9Å; F587-V639 HydrophobicContact CE2-CG2 4.22Å; F587-V639 HydrophobicContact CZ-CG2 3.63Å; V599-V639 HydrophobicContact CG2-CG1 4.12Å; V618-V639 HydrophobicContact CB-CG1 4.35Å; V618-V639 HydrophobicContact CG1-CG1 3.63Å; V618-V639 HydrophobicContact CG2-CG1 3.83Å; Q620-V639 WeakPolarHBondContact O-CA 3.3Å
640	R	94.4	Very high	81.2	Confident	100 Å²	100	52 Å²	52	38%	0.377	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.8	173.4	-166.4	179.1	179.3	-174.1	0.7	109.4	C578 W579 D619 Q620	C578-R640 CarbonylContact O-C 3.56Å; C578-R640 WeakPolarHBondContact O-CA 3.24Å; W579-R640 HydrophobicContact CD2-CB 4.49Å; W579-R640 HydrophobicContact CD2-CG 4.46Å; W579-R640 HydrophobicContact CE3-CB 4Å; W579-R640 HydrophobicContact CE3-CG 4.46Å; W579-R640 HydrophobicContact CH2-CB 3.85Å; W579-R640 HydrophobicContact CH2-CG 4.11Å; W579-R640 HydrophobicContact CZ2-CB 4.34Å; W579-R640 HydrophobicContact CZ2-CG 4.1Å; W579-R640 HydrophobicContact CZ3-CB 3.67Å; W579-R640 HydrophobicContact CZ3-CG 4.3Å; D619-R640 HydrophobicContact CB-CB 4.44Å; D619-R640 HydrophobicContact CB-CG 4.43Å; D619-R640 PolarHBondContact N-O 3.03Å; D619-R640 IonicContact OD2-CZ 3.67Å; D619-R640 IonicContact OD2-NE 3.29Å; D619-R640 IonicContact OD2-NH1 2.97Å; Q620-R640 HydrophobicContact CB-CB 3.91Å; Q620-R640 PolarHBondContact N-O 3.43Å; Q620-R640 PolarHBondContact O-N 3.37Å
641	L	92.3	Very high	80.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	143	178	-55.9	-178.8	0	0	0	110.3	L574 C578 V580 V599 L601 Y616 V654	L574-L641 HydrophobicContact CD1-CD1 4.3Å; C578-L641 PolarHBondContact O-N 2.65Å; V580-L641 HydrophobicContact CG2-CD1 4.12Å; V580-L641 HydrophobicContact CG2-CD2 4.13Å; V580-L641 HydrophobicContact CG2-CG 4.3Å; V599-L641 HydrophobicContact CB-CD2 3.6Å; V599-L641 HydrophobicContact CG1-CD2 3.96Å; V599-L641 HydrophobicContact CG2-CD2 3.63Å; L601-L641 HydrophobicContact CD1-CD1 4.19Å; Y616-L641 HydrophobicContact CD2-CD1 4.35Å; Y616-L641 HydrophobicContact CG-CB 4.44Å; Y616-L641 HydrophobicContact CG-CD1 4.24Å; L641-V654 HydrophobicContact CD1-CG2 3.38Å
642	S	88.1	Confident	79.6	Confident	32 Å²	32	53 Å²	53	22%	0.224	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.2	144.2	170.7	-58.6	0	0	0	0	110.3	G617 D619	G617-S642 VanDerWaalsContact C-OG 3.23Å; G617-S642 PolarHBondContact O-N 2.74Å; G617-S642 PolarHBondContact O-OG 3.44Å; D619-S642 PolarHBondContact N-OG 2.78Å
643	P	81.1	Confident	79.4	Confident	79 Å²	79	50.5 Å²	50.5	51%	0.513	31%	0.311	S	S	.	.	S	Bend	trans	-63.7	136.6	175.3	-16.3	28.9	0	0	0	111.5	G651	P643-G651 WeakPolarHBondContact CB-O 3.33Å
644	G	71.1	Confident	79	Confident	11 Å²	11	49.9 Å²	49.9	11%	0.113	31%	0.308	C	S	.	.	S	Bend	trans	72.8	137.7	-174.2	0	0	0	0	0	114	E652	G644-E652 PolarHBondContact N-O 2.79Å
645	A	72.6	Confident	78.4	Confident	10 Å²	10	50.9 Å²	50.9	8%	0.083	32%	0.323	C	S	.	.			trans	-63.5	149.7	170.9	0	0	0	0	0	110.6	E615 Y616 G647 Q648	E615-A645 CarbonylContact O-C 3.27Å; E615-A645 WeakPolarHBondContact O-CA 3.46Å; Y616-A645 HydrophobicContact CE1-CB 4.12Å; A645-G647 PolarHBondContact O-N 3.04Å; A645-G647 VanDerWaalsContact O-N 3.08Å; A645-Q648 HydrophobicContact CB-CG 4.39Å; A645-Q648 PolarHBondContact O-N 3.19Å
646	V	68.9	Low	77.8	Confident	74 Å²	74	54 Å²	54	45%	0.448	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	116.1	179.4	178.1	0	0	0	0	109.3	E615	E615-V646 HydrophobicContact CG-CG2 4.48Å; E615-V646 PolarHBondContact O-N 3.49Å
647	G	57	Low	76.8	Confident	84 Å²	84	55.8 Å²	55.8	87%	0.866	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	0.6	-179.1	0	0	0	0	0	115.4	A645	A645-G647 PolarHBondContact O-N 3.04Å; A645-G647 VanDerWaalsContact O-N 3.08Å
648	Q	59.1	Low	75.6	Confident	145 Å²	145	64.1 Å²	64.1	68%	0.678	38%	0.381	S	S	*	.	S	Bend	trans	-105.8	161.8	172.7	-64.6	-176.3	-5.1	0	0	111.7	A645	A645-Q648 HydrophobicContact CB-CG 4.39Å; A645-Q648 PolarHBondContact O-N 3.19Å
649	A	53	Low	74.7	Confident	83 Å²	83	65.1 Å²	65.1	69%	0.686	39%	0.386	S	S	*	.			trans	-58.7	144.1	174.2	0	0	0	0	0	110.3	G651	A649-G651 PolarHBondContact O-N 3.44Å; A649-G651 VanDerWaalsContact O-N 3.1Å
650	P	56.1	Low	74.1	Confident	127 Å²	127	65.1 Å²	65.1	83%	0.825	39%	0.385	S	S	*	.	S	Bend	trans	-57.8	118.8	179.5	21.6	-31.5	0	0	0	110.4
651	G	63.1	Low	73.8	Confident	42 Å²	42	60.7 Å²	60.7	43%	0.433	37%	0.369	S	S	.	.			trans	-139.5	-162	-174.8	0	0	0	0	0	112.3	P643 A649	P643-G651 WeakPolarHBondContact CB-O 3.33Å; A649-G651 PolarHBondContact O-N 3.44Å; A649-G651 VanDerWaalsContact O-N 3.1Å
652	E	67.3	Low	73.8	Confident	179 Å²	179	60.8 Å²	60.8	84%	0.836	37%	0.37	S	S	*	.			trans	-62.1	171.3	171	-67.1	-171.5	159.7	0	0	111.2	G644	G644-E652 PolarHBondContact N-O 2.79Å
653	C	79.8	Confident	74	Confident	16 Å²	16	59.3 Å²	59.3	11%	0.108	36%	0.36	C	S	.	.	S	Bend	trans	-69.4	-138.4	176.3	-59.4	0	0	0	0	110.9	T577 C578 S655	T577-C653 WeakPolarHBondContact O-CB 3.06Å; C578-C653 HydrophobicContact CB-CB 3.81Å; C578-C653 WeakPolarHBondContact CB-SG 3.47Å; C578-C653 WeakPolarHBondContact SG-CB 3.5Å; C578-C653 CovalentContact SG-SG 2.03Å; C578-C653 PolarHBondContact SG-SG 2.57Å; C653-S655 PolarHBondContact O-N 2.76Å
654	V	83.3	Confident	74.4	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.042	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-63.9	127.9	-175.6	-179.4	0	0	0	0	111.5	L574 T577 L601 Y616 L641 F656 V660	L574-V654 HydrophobicContact CD1-CG2 4.15Å; L574-V654 HydrophobicContact CD2-CG1 4.07Å; T577-V654 WeakPolarHBondContact O-CB 3.47Å; T577-V654 WeakPolarHBondContact O-CG2 3.04Å; T577-V654 PolarHBondContact O-N 2.71Å; L601-V654 HydrophobicContact CD1-CB 4.25Å; L601-V654 HydrophobicContact CD1-CG1 3.78Å; L601-V654 HydrophobicContact CD1-CG2 3.37Å; Y616-V654 HydrophobicContact CD2-CG2 4.15Å; Y616-V654 HydrophobicContact CE1-CG2 4.18Å; Y616-V654 HydrophobicContact CE2-CB 4.49Å; Y616-V654 HydrophobicContact CE2-CG2 3.69Å; Y616-V654 WeakPolarHBondContact OH-CA 3.4Å; L641-V654 HydrophobicContact CD1-CG2 3.38Å; V654-F656 HydrophobicContact CG1-CD1 4.44Å; V654-V660 HydrophobicContact CG1-CG1 3.4Å; V654-V660 VanDerWaalsContact CG1-CG1 3.4Å
655	S	80.8	Confident	75.4	Confident	77 Å²	77	56.9 Å²	56.9	54%	0.538	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-85.6	126.8	169.7	-67.2	0	0	0	0	109.6	C653	C653-S655 PolarHBondContact O-N 2.76Å
656	F	81.4	Confident	76.1	Confident	65 Å²	65	56.4 Å²	56.4	29%	0.285	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-74.1	132.6	-178.4	-67.2	-20.3	0	0	0	111.6	V523 L574 T577 V654 V660 L661 P662	V523-F656 HydrophobicContact CG1-CE2 4.4Å; L574-F656 HydrophobicContact CD2-CE1 4.33Å; T577-F656 HydrophobicContact CG2-CE1 3.86Å; T577-F656 HydrophobicContact CG2-CE2 4.07Å; T577-F656 HydrophobicContact CG2-CZ 3.45Å; T577-F656 VanDerWaalsContact CG2-CZ 3.45Å; V654-F656 HydrophobicContact CG1-CD1 4.44Å; F656-V660 WeakPolarHBondContact CA-O 3.19Å; F656-L661 HydrophobicContact CB-CD2 3.9Å; F656-L661 HydrophobicContact CG-CD2 4.27Å; F656-P662 HydrophobicContact CE1-CG 4.01Å; F656-P662 HydrophobicContact CE2-CG 4.03Å; F656-P662 HydrophobicContact CZ-CB 4.38Å; F656-P662 HydrophobicContact CZ-CG 3.57Å
657	S	73.6	Confident	76.8	Confident	39 Å²	39	58.9 Å²	58.9	27%	0.273	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-135.3	174	178.7	79.4	0	0	0	0	110	H659 V660 L661	S657-H659 PolarHBondContact O-N 2.7Å; S657-H659 VanDerWaalsContact O-N 3.11Å; S657-H659 PolarHBondContact OG-N 3.45Å; S657-V660 PolarHBondContact N-O 2.85Å; S657-V660 CarbonylContact O-C 3.59Å; S657-V660 PolarHBondContact O-N 3.16Å; S657-V660 VanDerWaalsContact O-N 3.15Å; S657-V660 PolarHBondContact OG-N 3.37Å; S657-L661 WeakPolarHBondContact O-CG 3.19Å
658	R	71.8	Confident	77.7	Confident	175 Å²	175	62.2 Å²	62.2	66%	0.66	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.6	175.9	67.2	-177.4	173.7	165.2	4.2	114
659	H	77.6	Confident	78.3	Confident	21 Å²	21	63.1 Å²	63.1	10%	0.097	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.6	-180	-47.8	109.4	0	0	0	112.8	P552 Y612 S657	P552-H659 VanDerWaalsContact CA-O 3.25Å; P552-H659 WeakPolarHBondContact CA-O 3.28Å; P552-H659 WeakPolarHBondContact CB-O 3.39Å; Y612-H659 WeakPolarHBondContact CB-ND1 3.41Å; Y612-H659 AromaticContact CD1-CE1 3.51Å; Y612-H659 AromaticContact CD1-ND1 3.73Å; Y612-H659 HydrophobicContact CD2-CB 4.24Å; Y612-H659 HydrophobicContact CG-CB 4.31Å; Y612-H659 AromaticContact CG-CE1 3.82Å; Y612-H659 AromaticContact CG-CG 3.92Å; Y612-H659 AromaticContact CG-ND1 3.53Å; S657-H659 PolarHBondContact O-N 2.7Å; S657-H659 VanDerWaalsContact O-N 3.11Å; S657-H659 PolarHBondContact OG-N 3.45Å
660	V	84.7	Confident	79.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-134.4	101.3	-178	-174.1	0	0	0	0	109.7	P552 L574 L601 V654 F656 S657	P552-V660 WeakPolarHBondContact O-CA 3.22Å; L574-V660 HydrophobicContact CD2-CG1 3.85Å; L601-V660 HydrophobicContact CB-CG1 4Å; L601-V660 HydrophobicContact CB-CG2 4.15Å; L601-V660 HydrophobicContact CD1-CG1 4Å; V654-V660 HydrophobicContact CG1-CG1 3.4Å; V654-V660 VanDerWaalsContact CG1-CG1 3.4Å; F656-V660 WeakPolarHBondContact CA-O 3.19Å; S657-V660 PolarHBondContact N-O 2.85Å; S657-V660 CarbonylContact O-C 3.59Å; S657-V660 PolarHBondContact O-N 3.16Å; S657-V660 VanDerWaalsContact O-N 3.15Å; S657-V660 PolarHBondContact OG-N 3.37Å
661	L	87.7	Confident	80.5	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.042	30%	0.303	C	S	.	.			trans	-143.5	147.6	-179.3	-65.5	173.5	0	0	0	109.5	I526 L529 L531 P552 W553 F656 S657	I526-L661 HydrophobicContact CG2-CD2 4.36Å; L529-L661 HydrophobicContact CB-CD1 4.25Å; L529-L661 WeakPolarHBondContact O-CD1 3.49Å; L531-L661 HydrophobicContact CD1-CD1 3.86Å; L531-L661 HydrophobicContact CG-CD1 4.03Å; P552-L661 CarbonylContact C-O 3.5Å; P552-L661 VanDerWaalsContact C-O 3.26Å; P552-L661 HydrophobicContact CB-CB 3.92Å; P552-L661 HydrophobicContact CB-CG 4.26Å; P552-L661 HydrophobicContact CG-CB 3.87Å; P552-L661 HydrophobicContact CG-CD1 4.2Å; P552-L661 HydrophobicContact CG-CG 4.35Å; P552-L661 PolarHBondContact O-N 3.05Å; W553-L661 WeakPolarHBondContact CA-O 3.37Å; W553-L661 WeakPolarHBondContact CB-O 3.44Å; W553-L661 PolarHBondContact N-O 3.13Å; W553-L661 VanDerWaalsContact N-O 3.12Å; F656-L661 HydrophobicContact CB-CD2 3.9Å; F656-L661 HydrophobicContact CG-CD2 4.27Å; S657-L661 WeakPolarHBondContact O-CG 3.19Å
662	P	91.4	Very high	80.9	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.019	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-80.1	148.4	-178.1	33.4	-34.9	0	0	0	111.8	I526 C527 G528 L574 F656	I526-P662 WeakPolarHBondContact O-CG 3.44Å; C527-P662 CarbonylContact C-O 3.58Å; C527-P662 WeakPolarHBondContact CA-O 3.38Å; C527-P662 HydrophobicContact CB-CG 4.26Å; G528-P662 PolarHBondContact N-O 3.11Å; L574-P662 HydrophobicContact CG-CB 4.38Å; L574-P662 CarbonylContact O-C 3.56Å; L574-P662 VanDerWaalsContact O-CA 3.26Å; L574-P662 WeakPolarHBondContact O-CA 3.25Å; F656-P662 HydrophobicContact CE1-CG 4.01Å; F656-P662 HydrophobicContact CE2-CG 4.03Å; F656-P662 HydrophobicContact CZ-CB 4.38Å; F656-P662 HydrophobicContact CZ-CG 3.57Å
663	A	92	Very high	80.8	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-78.3	148.4	168	0	0	0	0	0	110.4	W553 T573 L574 V754	W553-A663 HydrophobicContact CB-CB 3.87Å; W553-A663 HydrophobicContact CD2-CB 3.81Å; W553-A663 HydrophobicContact CE3-CB 4.23Å; W553-A663 HydrophobicContact CG-CB 3.65Å; T573-A663 HydrophobicContact CG2-CB 3.62Å; L574-A663 PolarHBondContact O-N 2.77Å; A663-V754 HydrophobicContact CB-CB 4.34Å; A663-V754 HydrophobicContact CB-CG1 4.41Å
664	C	90.9	Very high	79.8	Confident	13 Å²	13	68 Å²	68	9%	0.088	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-73.2	141.5	173.8	-67.6	0	0	0	0	111.5	C527 G528 W752 V753 V754	C527-C664 HydrophobicContact CB-CB 4.04Å; C527-C664 WeakPolarHBondContact CB-SG 3.47Å; C527-C664 PolarHBondContact O-SG 3.37Å; C527-C664 WeakPolarHBondContact SG-CA 3.4Å; C527-C664 WeakPolarHBondContact SG-CB 3.49Å; C527-C664 CovalentContact SG-SG 2.06Å; C527-C664 PolarHBondContact SG-SG 3.42Å; G528-C664 PolarHBondContact N-SG 2.71Å; C664-W752 WeakPolarHBondContact CB-O 2.94Å; C664-W752 PolarHBondContact N-O 3.15Å; C664-W752 VanDerWaalsContact N-O 3.07Å; C664-V753 HydrophobicContact CB-CG2 4.03Å; C664-V753 CarbonylContact O-C 3.49Å; C664-V753 VanDerWaalsContact O-CA 3.3Å; C664-V753 WeakPolarHBondContact O-CA 3.36Å; C664-V753 WeakPolarHBondContact O-CG1 2.98Å; C664-V754 PolarHBondContact O-N 2.73Å
665	L	90.6	Very high	78.1	Confident	25 Å²	25	76.2 Å²	76.2	13%	0.131	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-81.8	145.2	169	-70.9	172.6	0	0	0	110.9	I575 L581 V754 V776 I783	I575-L665 HydrophobicContact CB-CD2 4.27Å; I575-L665 HydrophobicContact CB-CG 4.34Å; I575-L665 HydrophobicContact CD1-CD1 4.28Å; I575-L665 HydrophobicContact CD1-CD2 4.33Å; I575-L665 HydrophobicContact CG2-CD2 3.87Å; I575-L665 HydrophobicContact CG2-CG 4.39Å; L581-L665 HydrophobicContact CD2-CD2 4.48Å; L665-V754 HydrophobicContact CD2-CG1 3.99Å; L665-V776 HydrophobicContact CD2-CG1 4.07Å; L665-I783 HydrophobicContact CD1-CG2 3.68Å; L665-I783 HydrophobicContact CD2-CD1 4.26Å; L665-I783 HydrophobicContact CD2-CG2 4.37Å
666	P	89.1	Confident	76.7	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-69.3	150.5	174.7	27.6	-33.1	0	0	0	111.6	E670 V753 V754 Y755 V776 R784	P666-E670 WeakPolarHBondContact CA-OE2 3.21Å; P666-E670 HydrophobicContact CB-CB 4.22Å; P666-V753 HydrophobicContact CB-CG1 3.9Å; P666-V753 HydrophobicContact CG-CG1 4.46Å; P666-V754 VanDerWaalsContact CD-O 3.27Å; P666-V754 WeakPolarHBondContact CD-O 3.14Å; P666-Y755 HydrophobicContact CB-CD1 4.23Å; P666-Y755 HydrophobicContact CB-CE1 4.14Å; P666-V776 HydrophobicContact CG-CB 3.95Å; P666-V776 HydrophobicContact CG-CG1 3.74Å; P666-R784 PolarHBondContact O-NH1 3.35Å
667	M	82.4	Confident	75.6	Confident	126 Å²	126	75 Å²	75	62%	0.621	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-66.8	160.9	167.6	-62.5	-173.3	178	0	0	110.5	K669 E670	M667-K669 PolarHBondContact O-N 2.86Å; M667-E670 HydrophobicContact CB-CB 4.13Å; M667-E670 WeakPolarHBondContact CB-OE2 3.15Å; M667-E670 PolarHBondContact N-OE2 3.1Å; M667-E670 VanDerWaalsContact O-CB 3.26Å; M667-E670 WeakPolarHBondContact O-CB 3.41Å; M667-E670 PolarHBondContact O-N 3.44Å
668	R	76.6	Confident	75.7	Confident	154 Å²	154	76.7 Å²	76.7	58%	0.581	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	124.9	-177.5	-168.7	176.3	179.2	166	-1.6	109.5	E670	R668-E670 PolarHBondContact O-N 3.02Å
669	K	71.3	Confident	76.3	Confident	165 Å²	165	68.5 Å²	68.5	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	17	-176.1	-56.1	175.4	-178.8	177.2	0	114.9	M667 K671	M667-K669 PolarHBondContact O-N 2.86Å; K669-K671 PolarHBondContact O-N 2.66Å
670	E	80.9	Confident	76.7	Confident	33 Å²	33	68.6 Å²	68.6	15%	0.154	33%	0.331	C	S	.	.			trans	-56.7	134.7	172.7	-166.7	177.4	157.7	0	0	109.9	P666 M667 R668 R747 Y755 S777	P666-E670 WeakPolarHBondContact CA-OE2 3.21Å; P666-E670 HydrophobicContact CB-CB 4.22Å; M667-E670 HydrophobicContact CB-CB 4.13Å; M667-E670 WeakPolarHBondContact CB-OE2 3.15Å; M667-E670 PolarHBondContact N-OE2 3.1Å; M667-E670 VanDerWaalsContact O-CB 3.26Å; M667-E670 WeakPolarHBondContact O-CB 3.41Å; M667-E670 PolarHBondContact O-N 3.44Å; R668-E670 PolarHBondContact O-N 3.02Å; E670-R747 IonicContact OE1-CZ 3.79Å; E670-R747 IonicContact OE1-NE 3.06Å; E670-R747 PolarHBondContact OE1-NE 2.75Å; E670-R747 IonicContact OE1-NH2 3.35Å; E670-R747 PolarHBondContact OE1-NH2 3.07Å; E670-R747 VanDerWaalsContact OE1-NH2 3.12Å; E670-R747 IonicContact OE2-CZ 3.04Å; E670-R747 IonicContact OE2-NH2 3.01Å; E670-R747 PolarHBondContact OE2-NH2 3.28Å; E670-Y755 HydrophobicContact CB-CE1 4.45Å; E670-Y755 HydrophobicContact CG-CE1 4.05Å; E670-Y755 PolarHBondContact OE1-OH 2.78Å; E670-S777 PolarHBondContact O-OG 3.33Å; E670-S777 VanDerWaalsContact O-OG 3.13Å
671	K	74.3	Confident	76.8	Confident	167 Å²	167	69 Å²	69	73%	0.726	33%	0.334	S	S	*	.			trans	-112.3	139.6	176.4	-66.9	-178.7	-177.9	173.9	0	108.3	K669 L673	K669-K671 PolarHBondContact O-N 2.66Å; K671-L673 PolarHBondContact O-N 2.79Å
672	V	71.9	Confident	76.8	Confident	34 Å²	34	68.9 Å²	68.9	21%	0.206	33%	0.333	C	S	.	.			trans	-65	125.1	169.9	-172.2	0	0	0	0	108.1	A676 L702 C745 Y755	V672-A676 HydrophobicContact CG1-CB 4.13Å; V672-L702 HydrophobicContact CB-CD1 3.54Å; V672-L702 HydrophobicContact CG1-CD1 3.65Å; V672-L702 HydrophobicContact CG2-CD1 3.52Å; V672-C745 HydrophobicContact CG1-CB 4.45Å; V672-Y755 HydrophobicContact CG2-CD1 3.46Å; V672-Y755 VanDerWaalsContact CG2-CD1 3.46Å; V672-Y755 HydrophobicContact CG2-CD2 3.67Å; V672-Y755 HydrophobicContact CG2-CE1 3.66Å; V672-Y755 HydrophobicContact CG2-CE2 3.81Å; V672-Y755 HydrophobicContact CG2-CG 3.46Å; V672-Y755 VanDerWaalsContact CG2-CG 3.46Å
673	L	65.3	Low	76.5	Confident	95 Å²	95	68.8 Å²	68.8	50%	0.497	33%	0.333	S	S	.	.			trans	-66.5	139.2	178.1	-76.2	157.9	0	0	0	109.2	K671 Q675 A676 P748	K671-L673 PolarHBondContact O-N 2.79Å; L673-Q675 PolarHBondContact O-N 2.94Å; L673-A676 WeakPolarHBondContact O-CB 3.45Å; L673-A676 PolarHBondContact O-N 3.45Å; L673-P748 HydrophobicContact CD1-CG 3.32Å
674	K	57.7	Low	76.1	Confident	219 Å²	219	68.8 Å²	68.8	95%	0.952	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.6	179.7	-71.3	-176.4	177.4	-178.3	0	113.7
675	Q	48.6	Very low	75.2	Confident	180 Å²	180	68.3 Å²	68.3	84%	0.841	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.4	177.6	-73.2	159.2	-23.9	0	0	113.4	L673 S677	L673-Q675 PolarHBondContact O-N 2.94Å; Q675-S677 PolarHBondContact O-N 3.08Å
676	A	51.7	Low	74.1	Confident	26 Å²	26	68.9 Å²	68.9	22%	0.215	33%	0.333	C	S	.	.			trans	-87.4	81.7	176	0	0	0	0	0	109.6	V672 L673 N678	V672-A676 HydrophobicContact CG1-CB 4.13Å; L673-A676 WeakPolarHBondContact O-CB 3.45Å; L673-A676 PolarHBondContact O-N 3.45Å; A676-N678 PolarHBondContact O-N 2.83Å
677	S	57.1	Low	72.6	Confident	92 Å²	92	73.5 Å²	73.5	64%	0.643	36%	0.361	S	S	*	.			trans	-78.9	-0.5	177.9	50.6	0	0	0	0	114.2	Q675 C679	Q675-S677 PolarHBondContact O-N 3.08Å; S677-C679 PolarHBondContact O-N 3.32Å
678	N	75.7	Confident	71.3	Confident	73 Å²	73	69.5 Å²	69.5	39%	0.39	35%	0.352	S	S	.	.			trans	-99.6	58.4	-172.3	-62.1	-7.8	0	0	0	111.5	A676 E746 W752	A676-N678 PolarHBondContact O-N 2.83Å; N678-E746 HydrophobicContact CB-CB 4.31Å; N678-E746 PolarHBondContact ND2-OE2 2.59Å; N678-E746 PolarHBondContact O-N 3.32Å; N678-W752 WeakPolarHBondContact O-CZ3 3.46Å
679	C	84.3	Confident	70.2	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.02	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.6	171.6	-64.7	0	0	0	0	110.5	S677 T699 L700 L743 V744 C745	S677-C679 PolarHBondContact O-N 3.32Å; C679-T699 WeakPolarHBondContact O-CA 3.32Å; C679-L700 WeakPolarHBondContact CB-O 3.21Å; C679-L700 PolarHBondContact O-N 3.26Å; C679-L743 HydrophobicContact CB-CD1 4.24Å; C679-V744 CarbonylContact C-O 3.51Å; C679-V744 VanDerWaalsContact CA-O 3.28Å; C679-V744 WeakPolarHBondContact CA-O 3.41Å; C679-C745 HydrophobicContact CB-CB 4.1Å; C679-C745 WeakPolarHBondContact CB-SG 3.38Å; C679-C745 WeakPolarHBondContact SG-CB 3.34Å; C679-C745 CovalentContact SG-SG 2.05Å; C679-C745 PolarHBondContact SG-SG 2.91Å
680	H	87.1	Confident	69.8	Low	23 Å²	23	69.5 Å²	69.5	11%	0.106	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.3	-178.6	-67.1	-103	0	0	0	111.1	W551 A698 T699 V744 W752	W551-H680 HydrophobicContact CH2-CB 3.54Å; W551-H680 AromaticContact CH2-CD2 3.77Å; W551-H680 AromaticContact CH2-CG 3.55Å; W551-H680 HydrophobicContact CZ2-CB 3.59Å; W551-H680 AromaticContact CZ2-CG 3.55Å; W551-H680 AromaticContact CZ2-ND1 3.71Å; W551-H680 HydrophobicContact CZ3-CB 4.43Å; H680-A698 CarbonylContact C-O 3.51Å; H680-A698 VanDerWaalsContact CA-O 3.27Å; H680-A698 WeakPolarHBondContact CA-O 3.24Å; H680-T699 WeakPolarHBondContact CE1-CG2 3.39Å; H680-V744 HydrophobicContact CB-CG2 4.37Å; H680-V744 PolarHBondContact N-O 3.48Å; H680-V744 PolarHBondContact O-N 2.65Å; H680-W752 AromaticContact CD2-CH2 3.46Å; H680-W752 VanDerWaalsContact CD2-CH2 3.46Å; H680-W752 WeakPolarHBondContact CD2-CH2 3.05Å; H680-W752 AromaticContact CD2-CZ3 3.6Å; H680-W752 AromaticContact NE2-CH2 3.85Å
681	I	86.8	Confident	69.2	Low	9 Å²	9	73 Å²	73	5%	0.046	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148	162.4	55.8	159.6	0	0	0	109.4	Q697 A698 L700 P742 L743 Y773	I681-Q697 CarbonylContact O-C 3.56Å; I681-Q697 VanDerWaalsContact O-CA 3.28Å; I681-Q697 WeakPolarHBondContact O-CA 3.48Å; I681-A698 HydrophobicContact CD1-CB 3.85Å; I681-A698 HydrophobicContact CG1-CB 3.49Å; I681-A698 VanDerWaalsContact CG1-CB 3.49Å; I681-A698 PolarHBondContact N-O 2.67Å; I681-A698 PolarHBondContact O-N 3.19Å; I681-L700 HydrophobicContact CB-CD1 4.29Å; I681-L700 HydrophobicContact CD1-CD1 3.7Å; I681-L700 HydrophobicContact CD1-CG 4.38Å; I681-L700 HydrophobicContact CG1-CD1 3.71Å; I681-L700 HydrophobicContact CG1-CG 4.14Å; I681-L700 HydrophobicContact CG2-CD1 3.61Å; I681-P742 WeakPolarHBondContact CA-O 3.41Å; I681-L743 HydrophobicContact CG2-CB 4.07Å; I681-L743 HydrophobicContact CG2-CD1 3.5Å; I681-L743 VanDerWaalsContact CG2-CD1 3.5Å; I681-L743 HydrophobicContact CG2-CG 4.37Å; I681-Y773 HydrophobicContact CG2-CE1 3.77Å
682	T	87.9	Confident	69.1	Low	5 Å²	5	65.8 Å²	65.8	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.9	178.1	49.8	0	0	0	0	110.9	W551 Q554 Q696 Q697 P742	W551-T682 HydrophobicContact CB-CG2 4.24Å; W551-T682 HydrophobicContact CD2-CG2 3.81Å; W551-T682 HydrophobicContact CG-CG2 3.52Å; Q554-T682 PolarHBondContact OE1-O 2.69Å; Q554-T682 PolarHBondContact OE1-OG1 3.24Å; T682-Q696 VanDerWaalsContact CA-O 3.25Å; T682-Q696 WeakPolarHBondContact CA-O 3.37Å; T682-Q697 HydrophobicContact CG2-CB 3.88Å; T682-P742 WeakPolarHBondContact OG1-CG 3.5Å
683	G	84.9	Confident	69.3	Low	1 Å²	1	67.5 Å²	67.5	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	176.9	179.2	0	0	0	0	0	113.3	Q696 D738	G683-Q696 PolarHBondContact N-O 2.81Å; G683-Q696 WeakPolarHBondContact O-CB 3.43Å; G683-Q696 PolarHBondContact O-N 3.25Å; G683-D738 VanDerWaalsContact C-OD1 3.28Å; G683-D738 VanDerWaalsContact CA-OD1 3.25Å; G683-D738 WeakPolarHBondContact CA-OD1 3.37Å
684	W	82.6	Confident	69.9	Low	2 Å²	2	64.2 Å²	64.2	1%	0.008	33%	0.331	C	S	.	.			trans	-110	26.5	178.5	-63.4	-93.7	0	0	0	111.4	Q554 A556 L568 D603 Y604 S692 T694 L695 D738	Q554-W684 HydrophobicContact CG-CH2 3.52Å; Q554-W684 HydrophobicContact CG-CZ2 4.48Å; Q554-W684 HydrophobicContact CG-CZ3 3.59Å; A556-W684 HydrophobicContact CB-CE3 4.4Å; A556-W684 HydrophobicContact CB-CH2 3.92Å; A556-W684 HydrophobicContact CB-CZ3 3.73Å; L568-W684 HydrophobicContact CD2-CB 3.6Å; L568-W684 HydrophobicContact CD2-CE3 4.42Å; L568-W684 HydrophobicContact CD2-CG 4.35Å; D603-W684 HydrophobicContact CB-CH2 4.17Å; D603-W684 HydrophobicContact CB-CZ2 3.88Å; D603-W684 VanDerWaalsContact O-CZ2 3.25Å; D603-W684 WeakPolarHBondContact O-CZ2 3.08Å; Y604-W684 PolarHBondContact O-NE1 2.87Å; Y604-W684 VanDerWaalsContact O-NE1 3.15Å; W684-S692 PolarHBondContact O-N 3.32Å; W684-T694 VanDerWaalsContact CD1-C 3.44Å; W684-L695 HydrophobicContact CD2-CD1 3.84Å; W684-L695 HydrophobicContact CE3-CD1 4Å; W684-L695 HydrophobicContact CH2-CD1 3.99Å; W684-L695 HydrophobicContact CZ2-CB 4.04Å; W684-L695 HydrophobicContact CZ2-CD1 3.81Å; W684-L695 HydrophobicContact CZ2-CG 4.34Å; W684-L695 HydrophobicContact CZ3-CD1 4.08Å; W684-L695 VanDerWaalsContact NE1-N 3.17Å; W684-D738 PolarHBondContact N-OD1 3.14Å
685	G	72.2	Confident	71.1	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.021	29%	0.288	C	S	.	.			trans	-62.1	169.5	-179.1	0	0	0	0	0	114.1	T687 S692 R736 D738	G685-T687 PolarHBondContact O-N 3.21Å; G685-S692 PolarHBondContact O-N 3.04Å; G685-R736 CarbonylContact C-O 3.59Å; G685-R736 WeakPolarHBondContact CA-O 3Å; G685-D738 VanDerWaalsContact CA-OD1 3.23Å; G685-D738 WeakPolarHBondContact CA-OD1 3.4Å; G685-D738 PolarHBondContact N-OD1 2.82Å
686	D	67.2	Low	72.7	Confident	38 Å²	38	49.4 Å²	49.4	20%	0.203	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-63.6	121.6	179.4	178.7	11.1	0	0	0	111.7	G688 R689 S690 C735 R736	D686-G688 VanDerWaalsContact C-N 3.31Å; D686-G688 PolarHBondContact OD1-N 2.84Å; D686-R689 PolarHBondContact OD1-N 3.19Å; D686-S690 WeakPolarHBondContact CA-O 3.47Å; D686-S690 PolarHBondContact OD1-N 3.4Å; D686-C735 HydrophobicContact CB-CB 4.36Å; D686-C735 VanDerWaalsContact O-CB 3.22Å; D686-C735 WeakPolarHBondContact O-CB 3.09Å; D686-R736 PolarHBondContact N-O 2.81Å
687	T	59.2	Low	74.2	Confident	96 Å²	96	50 Å²	50	59%	0.589	26%	0.263	S	S	*	.			trans	-88.7	6.2	179.2	54.4	0	0	0	0	113.2	G685 S690 Q696	G685-T687 PolarHBondContact O-N 3.21Å; T687-S690 PolarHBondContact N-O 3.09Å; T687-Q696 HydrophobicContact CG2-CG 4.37Å
688	G	53.8	Low	75.2	Confident	42 Å²	42	46.5 Å²	46.5	43%	0.433	24%	0.241	S	C	.	.	S	Bend	trans	113.9	-10.1	177	0	0	0	0	0	114.6	D686	D686-G688 VanDerWaalsContact C-N 3.31Å; D686-G688 PolarHBondContact OD1-N 2.84Å
689	R	54.2	Low	75.4	Confident	244 Å²	244	46.8 Å²	46.8	92%	0.921	25%	0.245	S	C	*	.	S	Bend	trans	-124.5	-41	175.6	-65.4	-174.9	178.6	-164.2	0.2	112.3	D686	D686-R689 PolarHBondContact OD1-N 3.19Å
690	S	63.1	Low	75	Confident	76 Å²	76	46.9 Å²	46.9	53%	0.531	25%	0.245	S	C	.	.	S	Bend	trans	-161.8	170.4	177.6	58.1	0	0	0	0	110.4	D686 T687 S692	D686-S690 WeakPolarHBondContact CA-O 3.47Å; D686-S690 PolarHBondContact OD1-N 3.4Å; T687-S690 PolarHBondContact N-O 3.09Å; S690-S692 PolarHBondContact O-N 2.88Å
691	Y	67.8	Low	74.7	Confident	106 Å²	106	48.9 Å²	48.9	42%	0.416	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-54	138.4	167.1	-67.1	-81.8	0	0	0	110.4	R736	Y691-R736 WeakPolarHBondContact CE1-O 3.39Å
692	S	72.4	Confident	74.6	Confident	15 Å²	15	51.1 Å²	51.1	11%	0.105	27%	0.274	C	S	.	.			trans	-69.1	131.3	175.7	-172.1	0	0	0	0	110.5	W684 G685 S690 T694 Q696	W684-S692 PolarHBondContact O-N 3.32Å; G685-S692 PolarHBondContact O-N 3.04Å; S690-S692 PolarHBondContact O-N 2.88Å; S692-T694 WeakPolarHBondContact CB-O 3.48Å; S692-T694 PolarHBondContact OG-N 2.97Å; S692-T694 PolarHBondContact OG-O 2.88Å; S692-Q696 WeakPolarHBondContact OG-CG 3.33Å; S692-Q696 PolarHBondContact OG-NE2 3.48Å
693	K	75.8	Confident	74.4	Confident	70 Å²	70	51.8 Å²	51.8	30%	0.304	28%	0.277	S	S	.	.	S	Bend	trans	-71.7	-34	174.4	-63.9	-179.3	-178	178.4	0	111.6	S500 H605 S606 L607	S500-K693 PolarHBondContact O-NZ 3.47Å; H605-K693 CarbonylContact C-O 3.59Å; S606-K693 WeakPolarHBondContact CB-O 3.41Å; S606-K693 PolarHBondContact N-O 3.14Å; S606-K693 PolarHBondContact OG-O 3.01Å; L607-K693 HydrophobicContact CD1-CD 4.14Å; L607-K693 HydrophobicContact CD1-CG 4.11Å
694	T	78.3	Confident	74.5	Confident	27 Å²	27	55.8 Å²	55.8	17%	0.166	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-103.2	147.4	178.7	50.5	0	0	0	0	111.5	Y604 H605 W684 S692 Q696	Y604-T694 HydrophobicContact CE1-CG2 4.07Å; Y604-T694 CarbonylContact O-C 3.52Å; Y604-T694 WeakPolarHBondContact O-CA 3.37Å; H605-T694 HydrophobicContact CB-CG2 4.47Å; H605-T694 VanDerWaalsContact CD2-CG2 3.43Å; H605-T694 WeakPolarHBondContact CD2-CG2 3.47Å; W684-T694 VanDerWaalsContact CD1-C 3.44Å; S692-T694 WeakPolarHBondContact CB-O 3.48Å; S692-T694 PolarHBondContact OG-N 2.97Å; S692-T694 PolarHBondContact OG-O 2.88Å; T694-Q696 PolarHBondContact O-N 3.35Å; T694-Q696 PolarHBondContact O-NE2 2.82Å; T694-Q696 VanDerWaalsContact O-NE2 3.11Å; T694-Q696 PolarHBondContact OG1-NE2 3.16Å; T694-Q696 VanDerWaalsContact OG1-NE2 3.11Å
695	L	82.3	Confident	74.7	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.047	32%	0.322	C	S	.	.			trans	-57.7	132.3	176.8	-177.7	62.7	0	0	0	109.5	L546 Q554 Y604 W684	L546-L695 WeakPolarHBondContact CD1-O 3.38Å; Q554-L695 HydrophobicContact CB-CD2 4.28Å; Q554-L695 HydrophobicContact CG-CD1 3.77Å; Q554-L695 HydrophobicContact CG-CD2 4.06Å; Y604-L695 HydrophobicContact CD2-CB 4.1Å; Y604-L695 PolarHBondContact O-N 2.89Å; W684-L695 HydrophobicContact CD2-CD1 3.84Å; W684-L695 HydrophobicContact CE3-CD1 4Å; W684-L695 HydrophobicContact CH2-CD1 3.99Å; W684-L695 HydrophobicContact CZ2-CB 4.04Å; W684-L695 HydrophobicContact CZ2-CD1 3.81Å; W684-L695 HydrophobicContact CZ2-CG 4.34Å; W684-L695 HydrophobicContact CZ3-CD1 4.08Å; W684-L695 VanDerWaalsContact NE1-N 3.17Å
696	Q	82.1	Confident	75.4	Confident	78 Å²	78	71.1 Å²	71.1	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	157.4	177.9	-60.6	-57.9	-52.4	0	0	110.5	T682 G683 T687 S692 T694	T682-Q696 VanDerWaalsContact CA-O 3.25Å; T682-Q696 WeakPolarHBondContact CA-O 3.37Å; G683-Q696 PolarHBondContact N-O 2.81Å; G683-Q696 WeakPolarHBondContact O-CB 3.43Å; G683-Q696 PolarHBondContact O-N 3.25Å; T687-Q696 HydrophobicContact CG2-CG 4.37Å; S692-Q696 WeakPolarHBondContact OG-CG 3.33Å; S692-Q696 PolarHBondContact OG-NE2 3.48Å; T694-Q696 PolarHBondContact O-N 3.35Å; T694-Q696 PolarHBondContact O-NE2 2.82Å; T694-Q696 VanDerWaalsContact O-NE2 3.11Å; T694-Q696 PolarHBondContact OG1-NE2 3.16Å; T694-Q696 VanDerWaalsContact OG1-NE2 3.11Å
697	Q	83.6	Confident	76.2	Confident	38 Å²	38	73.1 Å²	73.1	18%	0.178	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.4	171.8	71.1	-178.7	-10	0	0	110.5	N544 L546 I681 T682	N544-Q697 PolarHBondContact O-NE2 2.99Å; L546-Q697 HydrophobicContact CD1-CB 3.79Å; L546-Q697 HydrophobicContact CD1-CG 3.61Å; L546-Q697 HydrophobicContact CD2-CB 4.05Å; L546-Q697 HydrophobicContact CD2-CG 4.16Å; L546-Q697 HydrophobicContact CG-CB 4.14Å; L546-Q697 HydrophobicContact CG-CG 3.78Å; I681-Q697 CarbonylContact O-C 3.56Å; I681-Q697 VanDerWaalsContact O-CA 3.28Å; I681-Q697 WeakPolarHBondContact O-CA 3.48Å; T682-Q697 HydrophobicContact CG2-CB 3.88Å
698	A	77.2	Confident	77.5	Confident	20 Å²	20	68.5 Å²	68.5	17%	0.165	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	133.2	-175.3	0	0	0	0	0	109.6	H680 I681 V732	H680-A698 CarbonylContact C-O 3.51Å; H680-A698 VanDerWaalsContact CA-O 3.27Å; H680-A698 WeakPolarHBondContact CA-O 3.24Å; I681-A698 HydrophobicContact CD1-CB 3.85Å; I681-A698 HydrophobicContact CG1-CB 3.49Å; I681-A698 VanDerWaalsContact CG1-CB 3.49Å; I681-A698 PolarHBondContact N-O 2.67Å; I681-A698 PolarHBondContact O-N 3.19Å; A698-V732 HydrophobicContact CB-CG1 3.08Å
699	T	80.4	Confident	79.2	Confident	79 Å²	79	69.4 Å²	69.4	49%	0.485	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.4	174.7	46.1	0	0	0	0	109	C679 H680	C679-T699 WeakPolarHBondContact O-CA 3.32Å; H680-T699 WeakPolarHBondContact CE1-CG2 3.39Å
700	L	76.8	Confident	80.7	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.9	-178.3	-70	-178.8	0	0	0	111.4	C679 I681 A723 V732 Y773	C679-L700 WeakPolarHBondContact CB-O 3.21Å; C679-L700 PolarHBondContact O-N 3.26Å; I681-L700 HydrophobicContact CB-CD1 4.29Å; I681-L700 HydrophobicContact CD1-CD1 3.7Å; I681-L700 HydrophobicContact CD1-CG 4.38Å; I681-L700 HydrophobicContact CG1-CD1 3.71Å; I681-L700 HydrophobicContact CG1-CG 4.14Å; I681-L700 HydrophobicContact CG2-CD1 3.61Å; L700-A723 HydrophobicContact CB-CB 4.1Å; L700-A723 HydrophobicContact CD1-CB 4.09Å; L700-V732 HydrophobicContact CD2-CB 4.04Å; L700-V732 HydrophobicContact CD2-CG1 3.7Å; L700-V732 WeakPolarHBondContact CD2-O 3.26Å; L700-V732 HydrophobicContact CG-CG1 4.37Å; L700-Y773 WeakPolarHBondContact CD1-OH 2.76Å
701	S	81.3	Confident	81.7	Confident	65 Å²	65	65.6 Å²	65.6	46%	0.455	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.8	170.7	-66.9	0	0	0	0	110.1	L703 A723 G724	S701-L703 PolarHBondContact O-N 2.84Å; S701-A723 VanDerWaalsContact O-CA 3.29Å; S701-A723 WeakPolarHBondContact O-CA 2.98Å; S701-G724 PolarHBondContact N-O 3.18Å; S701-G724 PolarHBondContact O-N 2.95Å
702	L	83.8	Confident	82.5	Confident	55 Å²	55	61 Å²	61	29%	0.288	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.1	173.2	-71.8	172	0	0	0	110.4	V672 A723 L743	V672-L702 HydrophobicContact CB-CD1 3.54Å; V672-L702 HydrophobicContact CG1-CD1 3.65Å; V672-L702 HydrophobicContact CG2-CD1 3.52Å; L702-A723 HydrophobicContact CD2-CB 4.11Å; L702-L743 HydrophobicContact CD2-CD2 3.86Å
703	L	84	Confident	83.2	Confident	20 Å²	20	66.6 Å²	66.6	11%	0.105	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-90	145	-179.6	-60.8	-175.5	0	0	0	111.4	S701 R705 C722 F726 P770	S701-L703 PolarHBondContact O-N 2.84Å; L703-R705 PolarHBondContact O-N 2.95Å; L703-C722 HydrophobicContact CB-CB 4.41Å; L703-C722 PolarHBondContact N-O 3.37Å; L703-F726 HydrophobicContact CD2-CD2 3.83Å; L703-F726 HydrophobicContact CD2-CE2 3.14Å; L703-F726 HydrophobicContact CD2-CZ 3.61Å; L703-P770 HydrophobicContact CD1-CB 3.44Å; L703-P770 VanDerWaalsContact CD1-CB 3.44Å; L703-P770 HydrophobicContact CD1-CG 3.87Å
704	P	86.6	Confident	83.7	Confident	84 Å²	84	68.8 Å²	68.8	55%	0.545	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.6	136.4	174.5	-23.3	33.6	0	0	0	111.9	R706 H707 C708	P704-R706 PolarHBondContact O-N 3.14Å; P704-H707 WeakPolarHBondContact O-CB 3.36Å; P704-H707 PolarHBondContact O-N 3.49Å; P704-C708 PolarHBondContact O-N 3.1Å
705	R	86.1	Confident	84	Confident	108 Å²	108	70 Å²	70	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-47.8	-41.7	179.1	-173.3	-175.6	165.1	58.7	5.6	113.4	L703 H707 C708 Q709 F716 T717 S718	L703-R705 PolarHBondContact O-N 2.95Å; R705-H707 VanDerWaalsContact C-N 3.29Å; R705-H707 PolarHBondContact O-N 2.87Å; R705-C708 PolarHBondContact O-N 2.62Å; R705-Q709 VanDerWaalsContact CZ-OE1 3.28Å; R705-Q709 WeakPolarHBondContact O-CB 3.31Å; R705-Q709 PolarHBondContact O-N 3.38Å; R705-F716 HydrophobicContact CG-CE1 3.82Å; R705-T717 PolarHBondContact NH1-O 3.26Å; R705-S718 VanDerWaalsContact NH1-CA 3.28Å
706	R	86.8	Confident	84.3	Confident	219 Å²	219	69.8 Å²	69.8	83%	0.826	36%	0.355	S	S	*	.	H	α-helix	trans	-59.8	-40.1	-178.2	-66.8	-176.8	-179	177.7	-0.7	112	P704 Q709 Q710	P704-R706 PolarHBondContact O-N 3.14Å; R706-Q709 PolarHBondContact O-N 3.17Å; R706-Q710 WeakPolarHBondContact O-CB 3.45Å; R706-Q710 PolarHBondContact O-N 2.01Å
707	H	85.4	Confident	84.7	Confident	79 Å²	79	67.1 Å²	67.1	37%	0.366	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-48	179.6	-176.5	75.1	0	0	0	111.1	P704 R705 Q709 Q710 Y711	P704-H707 WeakPolarHBondContact O-CB 3.36Å; P704-H707 PolarHBondContact O-N 3.49Å; R705-H707 VanDerWaalsContact C-N 3.29Å; R705-H707 PolarHBondContact O-N 2.87Å; H707-Q709 PolarHBondContact O-N 3.2Å; H707-Q710 WeakPolarHBondContact O-CB 3.35Å; H707-Q710 PolarHBondContact O-N 3.47Å; H707-Y711 PolarHBondContact O-N 3.42Å
708	C	85.4	Confident	85	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-74.3	-27.9	-179.3	-54.2	0	0	0	0	112.9	P704 R705 Q710 Y711 F712 F716 C722	P704-C708 PolarHBondContact O-N 3.1Å; R705-C708 PolarHBondContact O-N 2.62Å; C708-Q710 VanDerWaalsContact C-N 3.32Å; C708-Y711 PolarHBondContact O-N 3.01Å; C708-F712 HydrophobicContact CB-CD2 4.07Å; C708-F712 HydrophobicContact CB-CE2 4.29Å; C708-F712 WeakPolarHBondContact O-CB 3.43Å; C708-F712 VanDerWaalsContact O-CD2 3.31Å; C708-F712 WeakPolarHBondContact O-CD2 3.23Å; C708-F712 PolarHBondContact O-N 2.72Å; C708-F716 HydrophobicContact CB-CD1 4.24Å; C708-F716 HydrophobicContact CB-CD2 4.44Å; C708-F716 HydrophobicContact CB-CE1 3.89Å; C708-F716 HydrophobicContact CB-CE2 4.14Å; C708-F716 HydrophobicContact CB-CG 4.49Å; C708-F716 HydrophobicContact CB-CZ 3.87Å; C708-C722 HydrophobicContact CB-CB 3.5Å; C708-C722 WeakPolarHBondContact CB-SG 3.45Å; C708-C722 WeakPolarHBondContact SG-CB 3.06Å; C708-C722 CovalentContact SG-SG 2.02Å; C708-C722 PolarHBondContact SG-SG 2.9Å
709	Q	89.1	Confident	85.7	Confident	61 Å²	61	70.6 Å²	70.6	29%	0.285	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-37.3	169.8	-163.5	80.5	50.9	0	0	111.8	R705 R706 H707 Y711 H713 F716	R705-Q709 VanDerWaalsContact CZ-OE1 3.28Å; R705-Q709 WeakPolarHBondContact O-CB 3.31Å; R705-Q709 PolarHBondContact O-N 3.38Å; R706-Q709 PolarHBondContact O-N 3.17Å; H707-Q709 PolarHBondContact O-N 3.2Å; Q709-Y711 VanDerWaalsContact C-N 3.34Å; Q709-H713 PolarHBondContact NE2-O 2.82Å; Q709-H713 VanDerWaalsContact O-CA 3.24Å; Q709-H713 WeakPolarHBondContact O-CA 3.24Å; Q709-H713 PolarHBondContact O-N 2.65Å; Q709-F716 HydrophobicContact CB-CD1 4.28Å; Q709-F716 PolarHBondContact NE2-O 2.77Å; Q709-F716 PolarHBondContact OE1-O 2.8Å
710	Q	86.8	Confident	86.3	Confident	149 Å²	149	67.2 Å²	67.2	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-68.2	-36.8	176.3	-174.3	177.3	1.2	0	0	111.5	R706 H707 C708 H713	R706-Q710 WeakPolarHBondContact O-CB 3.45Å; R706-Q710 PolarHBondContact O-N 2.01Å; H707-Q710 WeakPolarHBondContact O-CB 3.35Å; H707-Q710 PolarHBondContact O-N 3.47Å; C708-Q710 VanDerWaalsContact C-N 3.32Å; Q710-H713 PolarHBondContact O-CE1 3.28Å
711	Y	84.1	Confident	86.9	Confident	91 Å²	91	68.5 Å²	68.5	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-77.9	-46.3	-178.7	-165.9	-92.2	0	0	0	113.3	H707 C708 Q709	H707-Y711 PolarHBondContact O-N 3.42Å; C708-Y711 PolarHBondContact O-N 3.01Å; Q709-Y711 VanDerWaalsContact C-N 3.34Å
712	F	84.8	Confident	87.2	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-98.9	0.2	-175.1	-63.5	-68.7	0	0	0	114.1	C708 S714 A715 F716 W760 H762 P770 V772	C708-F712 HydrophobicContact CB-CD2 4.07Å; C708-F712 HydrophobicContact CB-CE2 4.29Å; C708-F712 WeakPolarHBondContact O-CB 3.43Å; C708-F712 VanDerWaalsContact O-CD2 3.31Å; C708-F712 WeakPolarHBondContact O-CD2 3.23Å; C708-F712 PolarHBondContact O-N 2.72Å; F712-S714 PolarHBondContact O-N 2.92Å; F712-A715 WeakPolarHBondContact O-CB 3.4Å; F712-A715 PolarHBondContact O-N 3.14Å; F712-A715 VanDerWaalsContact O-N 3.11Å; F712-F716 HydrophobicContact CB-CB 3.78Å; F712-F716 HydrophobicContact CD2-CD2 4.43Å; F712-W760 HydrophobicContact CB-CH2 4.14Å; F712-W760 AromaticContact CD1-CH2 3.43Å; F712-W760 HydrophobicContact CD1-CH2 3.43Å; F712-W760 VanDerWaalsContact CD1-CH2 3.43Å; F712-W760 AromaticContact CD1-CZ3 3.64Å; F712-W760 HydrophobicContact CD1-CZ3 3.64Å; F712-W760 AromaticContact CE1-CH2 3.91Å; F712-W760 HydrophobicContact CE1-CH2 3.91Å; F712-W760 AromaticContact CE1-CZ3 3.73Å; F712-W760 HydrophobicContact CE1-CZ3 3.73Å; F712-W760 AromaticContact CG-CH2 3.84Å; F712-W760 HydrophobicContact CG-CH2 3.84Å; F712-W760 HydrophobicContact CG-CZ3 4.47Å; F712-H762 AromaticContact CD1-CD2 3.81Å; F712-H762 AromaticContact CD1-NE2 3.76Å; F712-H762 AromaticContact CE1-CD2 3.45Å; F712-H762 VanDerWaalsContact CE1-CD2 3.45Å; F712-H762 WeakPolarHBondContact CE1-CD2 3.42Å; F712-H762 AromaticContact CE1-NE2 3.89Å; F712-P770 HydrophobicContact CE2-CG 3.86Å; F712-P770 HydrophobicContact CZ-CG 4.06Å; F712-P770 WeakPolarHBondContact CZ-O 3.29Å; F712-V772 HydrophobicContact CD2-CG2 4.04Å; F712-V772 HydrophobicContact CE1-CG2 4.22Å; F712-V772 HydrophobicContact CE2-CG2 3.49Å; F712-V772 VanDerWaalsContact CE2-CG2 3.49Å; F712-V772 HydrophobicContact CZ-CG2 3.6Å
713	H	87.3	Confident	87.2	Confident	133 Å²	133	63 Å²	63	62%	0.616	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	50.2	-125.5	179.1	-58.1	-75.2	0	0	0	113.4	Q709 Q710 A715	Q709-H713 PolarHBondContact NE2-O 2.82Å; Q709-H713 VanDerWaalsContact O-CA 3.24Å; Q709-H713 WeakPolarHBondContact O-CA 3.24Å; Q709-H713 PolarHBondContact O-N 2.65Å; Q710-H713 PolarHBondContact O-CE1 3.28Å; H713-A715 VanDerWaalsContact C-N 3.28Å; H713-A715 PolarHBondContact O-N 3.05Å
714	S	84.9	Confident	86.8	Confident	117 Å²	117	62.3 Å²	62.3	82%	0.818	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15.8	-177.1	53.8	0	0	0	0	113.9	F712 F716	F712-S714 PolarHBondContact O-N 2.92Å; S714-F716 VanDerWaalsContact C-N 3.27Å; S714-F716 PolarHBondContact O-N 3.48Å
715	A	84.4	Confident	85.8	Confident	52 Å²	52	61.1 Å²	61.1	43%	0.43	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-73	-19	179.7	0	0	0	0	0	113	F712 H713 W760	F712-A715 WeakPolarHBondContact O-CB 3.4Å; F712-A715 PolarHBondContact O-N 3.14Å; F712-A715 VanDerWaalsContact O-N 3.11Å; H713-A715 VanDerWaalsContact C-N 3.28Å; H713-A715 PolarHBondContact O-N 3.05Å; A715-W760 HydrophobicContact CB-CH2 3.97Å; A715-W760 HydrophobicContact CB-CZ2 4.23Å
716	F	89.3	Confident	84.3	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.018	32%	0.318	C	S	.	.			trans	-99.5	114.9	-178.4	-173.7	-107	0	0	0	112.4	R705 C708 Q709 F712 S714 M720 C722 V772	R705-F716 HydrophobicContact CG-CE1 3.82Å; C708-F716 HydrophobicContact CB-CD1 4.24Å; C708-F716 HydrophobicContact CB-CD2 4.44Å; C708-F716 HydrophobicContact CB-CE1 3.89Å; C708-F716 HydrophobicContact CB-CE2 4.14Å; C708-F716 HydrophobicContact CB-CG 4.49Å; C708-F716 HydrophobicContact CB-CZ 3.87Å; Q709-F716 HydrophobicContact CB-CD1 4.28Å; Q709-F716 PolarHBondContact NE2-O 2.77Å; Q709-F716 PolarHBondContact OE1-O 2.8Å; F712-F716 HydrophobicContact CB-CB 3.78Å; F712-F716 HydrophobicContact CD2-CD2 4.43Å; S714-F716 VanDerWaalsContact C-N 3.27Å; S714-F716 PolarHBondContact O-N 3.48Å; F716-M720 HydrophobicContact CD2-CB 3.73Å; F716-M720 HydrophobicContact CD2-SD 4.07Å; F716-M720 HydrophobicContact CE2-CB 3.47Å; F716-M720 VanDerWaalsContact CE2-CB 3.47Å; F716-M720 HydrophobicContact CZ-CB 4.21Å; F716-C722 HydrophobicContact CE2-CB 3.99Å; F716-C722 HydrophobicContact CZ-CB 4.01Å; F716-V772 HydrophobicContact CD2-CG1 4.07Å; F716-V772 HydrophobicContact CE2-CG1 4.13Å
717	T	91.3	Very high	82.5	Confident	23 Å²	23	60.1 Å²	60.1	14%	0.141	31%	0.313	C	S	.	.			trans	-102.5	170.1	-174.1	78.1	0	0	0	0	112.6	D633 R705 R719 M720	D633-T717 HydrophobicContact CB-CG2 4.2Å; D633-T717 PolarHBondContact OD1-OG1 3.42Å; R705-T717 PolarHBondContact NH1-O 3.26Å; T717-R719 PolarHBondContact O-N 2.8Å; T717-R719 VanDerWaalsContact O-N 3.16Å; T717-R719 PolarHBondContact OG1-N 3.43Å; T717-M720 HydrophobicContact CG2-CE 4.3Å; T717-M720 PolarHBondContact O-N 2.96Å
718	S	89.9	Confident	80.5	Confident	69 Å²	69	61.8 Å²	61.8	48%	0.483	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.3	176.3	58.6	0	0	0	0	114.6	R705	R705-S718 VanDerWaalsContact NH1-CA 3.28Å
719	R	91.6	Very high	78.3	Confident	62 Å²	62	70.4 Å²	70.4	23%	0.234	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6	178.2	-64.8	164.1	-70.3	-83.5	1.3	112.9	D633 T717 K775 A778 F779	D633-R719 IonicContact OD1-CZ 3.02Å; D633-R719 IonicContact OD1-NE 2.57Å; D633-R719 PolarHBondContact OD1-NE 3.09Å; D633-R719 IonicContact OD1-NH2 2.76Å; D633-R719 IonicContact OD2-CZ 2.81Å; D633-R719 VanDerWaalsContact OD2-CZ 3.29Å; D633-R719 IonicContact OD2-NE 3.72Å; D633-R719 PolarHBondContact OD2-NE 2.02Å; D633-R719 IonicContact OD2-NH2 3.88Å; D633-R719 PolarHBondContact OD2-NH2 2.85Å; T717-R719 PolarHBondContact O-N 2.8Å; T717-R719 VanDerWaalsContact O-N 3.16Å; T717-R719 PolarHBondContact OG1-N 3.43Å; R719-K775 WeakPolarHBondContact O-CB 3.17Å; R719-K775 PolarHBondContact O-N 2.94Å; R719-A778 HydrophobicContact CB-CB 4.44Å; R719-A778 HydrophobicContact CG-CB 4.25Å; R719-F779 HydrophobicContact CB-CE2 4.02Å; R719-F779 HydrophobicContact CB-CZ 3.88Å; R719-F779 HydrophobicContact CG-CE2 4.48Å; R719-F779 HydrophobicContact CG-CZ 4.03Å
720	M	92.4	Very high	76.1	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.039	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	150.5	179.8	-63.1	175.1	-179.4	0	0	111.8	N632 D633 F716 T717 W760 V772 Y773	N632-M720 HydrophobicContact CB-CE 4.43Å; N632-M720 VanDerWaalsContact O-CE 3.26Å; N632-M720 WeakPolarHBondContact O-CE 2.98Å; D633-M720 HydrophobicContact CB-CE 4.1Å; F716-M720 HydrophobicContact CD2-CB 3.73Å; F716-M720 HydrophobicContact CD2-SD 4.07Å; F716-M720 HydrophobicContact CE2-CB 3.47Å; F716-M720 VanDerWaalsContact CE2-CB 3.47Å; F716-M720 HydrophobicContact CZ-CB 4.21Å; T717-M720 HydrophobicContact CG2-CE 4.3Å; T717-M720 PolarHBondContact O-N 2.96Å; M720-W760 HydrophobicContact SD-CZ2 4.36Å; M720-V772 HydrophobicContact CB-CG1 3.93Å; M720-V772 HydrophobicContact CG-CG1 4.13Å; M720-V772 HydrophobicContact SD-CG1 3.81Å; M720-Y773 CarbonylContact C-O 3.53Å; M720-Y773 WeakPolarHBondContact CA-O 3.04Å
721	L	90.1	Very high	74.6	Confident	32 Å²	32	78.3 Å²	78.3	17%	0.168	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	160.1	168.7	-64.5	173.3	0	0	0	108.9	Y755 V772 Y773 K775	L721-Y755 WeakPolarHBondContact CD1-O 3.42Å; L721-V772 WeakPolarHBondContact O-CA 3.48Å; L721-Y773 PolarHBondContact N-O 3.47Å; L721-Y773 PolarHBondContact O-N 2.93Å; L721-K775 HydrophobicContact CD1-CB 4.25Å; L721-K775 HydrophobicContact CD1-CG 4.03Å; L721-K775 HydrophobicContact CD2-CB 4.39Å; L721-K775 HydrophobicContact CD2-CD 3.91Å; L721-K775 HydrophobicContact CD2-CG 3.96Å; L721-K775 HydrophobicContact CG-CB 3.79Å; L721-K775 HydrophobicContact CG-CD 4.24Å; L721-K775 HydrophobicContact CG-CG 3.78Å
722	C	87.2	Confident	73.1	Confident	3 Å²	3	76.1 Å²	76.1	2%	0.02	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131	-176.4	-178	0	0	0	0	107.7	L703 C708 F716 P770 G771	L703-C722 HydrophobicContact CB-CB 4.41Å; L703-C722 PolarHBondContact N-O 3.37Å; C708-C722 HydrophobicContact CB-CB 3.5Å; C708-C722 WeakPolarHBondContact CB-SG 3.45Å; C708-C722 WeakPolarHBondContact SG-CB 3.06Å; C708-C722 CovalentContact SG-SG 2.02Å; C708-C722 PolarHBondContact SG-SG 2.9Å; F716-C722 HydrophobicContact CE2-CB 3.99Å; F716-C722 HydrophobicContact CZ-CB 4.01Å; C722-P770 VanDerWaalsContact SG-CB 3.55Å; C722-P770 WeakPolarHBondContact SG-CG 3.42Å; C722-G771 WeakPolarHBondContact CA-O 3.39Å
723	A	84.3	Confident	71.7	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.008	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.9	-177.9	0	0	0	0	0	110.3	L700 S701 L702 L743 G771 Y773	L700-A723 HydrophobicContact CB-CB 4.1Å; L700-A723 HydrophobicContact CD1-CB 4.09Å; S701-A723 VanDerWaalsContact O-CA 3.29Å; S701-A723 WeakPolarHBondContact O-CA 2.98Å; L702-A723 HydrophobicContact CD2-CB 4.11Å; A723-L743 HydrophobicContact CB-CD2 4.36Å; A723-G771 PolarHBondContact N-O 3.19Å; A723-G771 PolarHBondContact O-N 2.79Å; A723-Y773 HydrophobicContact CB-CD2 4.16Å; A723-Y773 HydrophobicContact CB-CE2 3.66Å
724	G	75.6	Confident	70.2	Confident	6 Å²	6	72.5 Å²	72.5	6%	0.062	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	174.8	-177.7	0	0	0	0	0	112.1	S701	S701-G724 PolarHBondContact N-O 3.18Å; S701-G724 PolarHBondContact O-N 2.95Å
725	S	65.1	Low	69.2	Low	58 Å²	58	67.6 Å²	67.6	41%	0.406	34%	0.342	S	S	.	.			trans	-99.3	134.2	173.7	-177.2	0	0	0	0	110.7	Q727 R730	S725-Q727 PolarHBondContact OG-N 2.71Å; S725-R730 PolarHBondContact OG-O 3.46Å
726	F	55.3	Low	68	Low	153 Å²	153	74.1 Å²	74.1	67%	0.671	36%	0.356	S	S	*	.			trans	-85.8	-13.6	172.5	-86.2	-74.8	0	0	0	113.1	L703	L703-F726 HydrophobicContact CD2-CD2 3.83Å; L703-F726 HydrophobicContact CD2-CE2 3.14Å; L703-F726 HydrophobicContact CD2-CZ 3.61Å
727	Q	49	Very low	66.6	Low	154 Å²	154	74.2 Å²	74.2	72%	0.72	36%	0.358	S	S	*	.			trans	-96.4	125.7	-171.9	-71.9	-179.1	-21.6	0	0	111.5	S725 E729	S725-Q727 PolarHBondContact OG-N 2.71Å; Q727-E729 PolarHBondContact O-N 2.85Å; Q727-E729 VanDerWaalsContact O-N 3.12Å
728	S	41.6	Very low	65.8	Low	113 Å²	113	74 Å²	74	79%	0.79	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-10.5	-175	51.8	0	0	0	0	115.5
729	E	39.3	Very low	65.6	Low	182 Å²	182	71.8 Å²	71.8	85%	0.85	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-14	-171	-65.7	-173.7	170.7	0	0	114.8	Q727	Q727-E729 PolarHBondContact O-N 2.85Å; Q727-E729 VanDerWaalsContact O-N 3.12Å
730	R	43.8	Very low	65.5	Low	150 Å²	150	68.8 Å²	68.8	57%	0.566	33%	0.329	S	S	*	.	S	Bend	trans	-136.9	101.4	172.8	-85.2	-175.3	163.3	177.8	-4.5	111.1	G541 S725	G541-R730 PolarHBondContact O-NH2 2.87Å; S725-R730 PolarHBondContact OG-O 3.46Å
731	R	54.9	Low	65.4	Low	226 Å²	226	68.4 Å²	68.4	85%	0.853	33%	0.327	S	S	*	.			trans	-84.3	123.4	-175.3	-68.8	174.5	-84.1	-174	-5.6	109.9
732	V	53.3	Low	65.6	Low	45 Å²	45	66.9 Å²	66.9	27%	0.273	32%	0.319	S	S	.	.			trans	-143.4	116.9	-178.2	-175.8	0	0	0	0	109	A698 L700	A698-V732 HydrophobicContact CB-CG1 3.08Å; L700-V732 HydrophobicContact CD2-CB 4.04Å; L700-V732 HydrophobicContact CD2-CG1 3.7Å; L700-V732 WeakPolarHBondContact CD2-O 3.26Å; L700-V732 HydrophobicContact CG-CG1 4.37Å
733	D	54.3	Low	65.8	Low	50 Å²	50	66.8 Å²	66.8	27%	0.267	32%	0.318	S	S	.	.			trans	-145.8	154.3	176.1	-168.6	16.5	0	0	0	109.8
734	S	55.9	Low	66.1	Low	14 Å²	14	66.7 Å²	66.7	10%	0.098	32%	0.318	C	S	.	.			trans	-81.2	137.2	174	50.5	0	0	0	0	111	Y773	S734-Y773 PolarHBondContact OG-OH 3.33Å
735	C	64.6	Low	66.8	Low	14 Å²	14	66.4 Å²	66.4	10%	0.095	32%	0.315	C	S	.	.			trans	-120.4	-176.6	-175.8	-158.8	0	0	0	0	114.1	D686 G737 D738 C764	D686-C735 HydrophobicContact CB-CB 4.36Å; D686-C735 VanDerWaalsContact O-CB 3.22Å; D686-C735 WeakPolarHBondContact O-CB 3.09Å; C735-G737 PolarHBondContact O-N 3.17Å; C735-D738 PolarHBondContact N-OD2 3Å; C735-D738 WeakPolarHBondContact O-CB 3.2Å; C735-D738 PolarHBondContact O-N 3.36Å; C735-C764 WeakPolarHBondContact CA-SG 3.07Å; C735-C764 HydrophobicContact CB-CB 3.7Å; C735-C764 WeakPolarHBondContact CB-SG 3.28Å; C735-C764 WeakPolarHBondContact SG-CB 3.42Å; C735-C764 CovalentContact SG-SG 2.02Å; C735-C764 PolarHBondContact SG-SG 3.45Å
736	R	59.3	Low	67.8	Low	190 Å²	190	67.3 Å²	67.3	72%	0.717	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	125.7	173.9	-73.1	-173.6	176.6	-170.8	0.5	108.8	G685 D686 Y691	G685-R736 CarbonylContact C-O 3.59Å; G685-R736 WeakPolarHBondContact CA-O 3Å; D686-R736 PolarHBondContact N-O 2.81Å; Y691-R736 WeakPolarHBondContact CE1-O 3.39Å
737	G	59.9	Low	68.9	Low	6 Å²	6	63.1 Å²	63.1	6%	0.062	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-16.8	-175.3	0	0	0	0	0	114.4	C735	C735-G737 PolarHBondContact O-N 3.17Å
738	D	75.1	Confident	69.7	Low	18 Å²	18	60.1 Å²	60.1	10%	0.096	29%	0.286	C	S	.	.			trans	-88.4	-10.7	169.2	-59.2	-43.3	0	0	0	112.7	G683 W684 G685 C735 G740 G741 T758	G683-D738 VanDerWaalsContact C-OD1 3.28Å; G683-D738 VanDerWaalsContact CA-OD1 3.25Å; G683-D738 WeakPolarHBondContact CA-OD1 3.37Å; W684-D738 PolarHBondContact N-OD1 3.14Å; G685-D738 VanDerWaalsContact CA-OD1 3.23Å; G685-D738 WeakPolarHBondContact CA-OD1 3.4Å; G685-D738 PolarHBondContact N-OD1 2.82Å; C735-D738 PolarHBondContact N-OD2 3Å; C735-D738 WeakPolarHBondContact O-CB 3.2Å; C735-D738 PolarHBondContact O-N 3.36Å; D738-G740 PolarHBondContact O-N 3.23Å; D738-G741 WeakPolarHBondContact O-CA 3.38Å; D738-G741 PolarHBondContact O-N 2.91Å; D738-T758 HydrophobicContact CB-CG2 4.31Å; D738-T758 WeakPolarHBondContact O-CB 3.39Å; D738-T758 PolarHBondContact O-OG1 3.18Å
739	S	85.8	Confident	70.6	Confident	22 Å²	22	59 Å²	59	15%	0.154	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	130.8	173.7	-75.4	0	0	0	0	111.3	C570 G571 H585 G741	C570-S739 CarbonylContact C-O 3.26Å; C570-S739 WeakPolarHBondContact CA-O 3.36Å; C570-S739 WeakPolarHBondContact CB-O 3.44Å; C570-S739 VanDerWaalsContact SG-CB 3.53Å; C570-S739 PolarHBondContact SG-O 2.79Å; G571-S739 PolarHBondContact N-O 3.3Å; H585-S739 PolarHBondContact CE1-OG 2.92Å; H585-S739 WeakPolarHBondContact NE2-CB 3.19Å; H585-S739 PolarHBondContact NE2-OG 3.11Å; S739-G741 PolarHBondContact O-N 2.85Å
740	G	88.3	Confident	71.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-10.3	-178	0	0	0	0	0	115.2	G571 G572 T582 S583 D738 T758	G571-G740 CarbonylContact C-O 3.43Å; G571-G740 CarbonylContact O-C 3.51Å; G571-G740 VanDerWaalsContact O-C 3.22Å; G571-G740 WeakPolarHBondContact O-CA 3.45Å; G572-G740 WeakPolarHBondContact CA-O 3.3Å; T582-G740 WeakPolarHBondContact OG1-CA 3.41Å; S583-G740 WeakPolarHBondContact OG-CA 3.43Å; S583-G740 PolarHBondContact OG-N 3.16Å; D738-G740 PolarHBondContact O-N 3.23Å; G740-T758 PolarHBondContact N-O 3.4Å
741	G	90.8	Very high	73.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.			trans	-67.5	161.1	174.7	0	0	0	0	0	113.5	D738 S739 T758	D738-G741 WeakPolarHBondContact O-CA 3.38Å; D738-G741 PolarHBondContact O-N 2.91Å; S739-G741 PolarHBondContact O-N 2.85Å; G741-T758 PolarHBondContact O-N 2.81Å; G741-T758 PolarHBondContact O-OG1 3.2Å
742	P	93.8	Very high	75.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.9	-178.4	22.4	-24.9	0	0	0	113.4	Q554 T573 I681 T682 V744 V754	Q554-P742 VanDerWaalsContact OE1-CD 3.25Å; T573-P742 HydrophobicContact CG2-CB 4.15Å; T573-P742 VanDerWaalsContact OG1-CB 3.24Å; T573-P742 WeakPolarHBondContact OG1-CB 3.49Å; I681-P742 WeakPolarHBondContact CA-O 3.41Å; T682-P742 WeakPolarHBondContact OG1-CG 3.5Å; P742-V744 HydrophobicContact CB-CG1 3.82Å; P742-V754 HydrophobicContact CB-CG2 4.17Å
743	L	91.8	Very high	76.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	102.3	150.2	174.3	68.3	0	0	0	107.7	C679 I681 L702 A723 Y755 G756 Y773	C679-L743 HydrophobicContact CB-CD1 4.24Å; I681-L743 HydrophobicContact CG2-CB 4.07Å; I681-L743 HydrophobicContact CG2-CD1 3.5Å; I681-L743 VanDerWaalsContact CG2-CD1 3.5Å; I681-L743 HydrophobicContact CG2-CG 4.37Å; L702-L743 HydrophobicContact CD2-CD2 3.86Å; A723-L743 HydrophobicContact CB-CD2 4.36Å; L743-Y755 PolarHBondContact O-N 2.63Å; L743-G756 PolarHBondContact N-O 2.77Å; L743-G756 PolarHBondContact O-N 2.02Å; L743-G756 VanDerWaalsContact O-N 3.11Å; L743-Y773 HydrophobicContact CB-CD1 3.84Å; L743-Y773 HydrophobicContact CB-CE1 4.16Å; L743-Y773 HydrophobicContact CB-CG 4.39Å; L743-Y773 HydrophobicContact CD2-CD1 4.13Å; L743-Y773 HydrophobicContact CD2-CD2 4Å; L743-Y773 HydrophobicContact CD2-CE2 4.4Å; L743-Y773 HydrophobicContact CD2-CG 3.87Å
744	V	91.6	Very high	78.7	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.2	-177.6	-76.2	0	0	0	0	111.1	W551 W553 C679 H680 P742 W752 V753 V754	W551-V744 HydrophobicContact CE3-CG2 3.97Å; W551-V744 HydrophobicContact CH2-CG2 4.2Å; W551-V744 HydrophobicContact CZ3-CG2 3.56Å; W553-V744 HydrophobicContact CZ2-CG2 4.47Å; C679-V744 CarbonylContact C-O 3.51Å; C679-V744 VanDerWaalsContact CA-O 3.28Å; C679-V744 WeakPolarHBondContact CA-O 3.41Å; H680-V744 HydrophobicContact CB-CG2 4.37Å; H680-V744 PolarHBondContact N-O 3.48Å; H680-V744 PolarHBondContact O-N 2.65Å; P742-V744 HydrophobicContact CB-CG1 3.82Å; V744-W752 HydrophobicContact CB-CE3 4.13Å; V744-W752 HydrophobicContact CG2-CE3 4.06Å; V744-W752 HydrophobicContact CG2-CZ3 4.47Å; V744-V753 CarbonylContact C-O 3.57Å; V744-V753 VanDerWaalsContact CA-O 3.25Å; V744-V753 WeakPolarHBondContact CA-O 3.3Å; V744-V754 HydrophobicContact CG1-CB 4.02Å; V744-V754 HydrophobicContact CG1-CG2 4.43Å
745	C	89.1	Confident	80.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.2	174.4	-48.5	0	0	0	0	110.1	V672 C679 V753 Y755	V672-C745 HydrophobicContact CG1-CB 4.45Å; C679-C745 HydrophobicContact CB-CB 4.1Å; C679-C745 WeakPolarHBondContact CB-SG 3.38Å; C679-C745 WeakPolarHBondContact SG-CB 3.34Å; C679-C745 CovalentContact SG-SG 2.05Å; C679-C745 PolarHBondContact SG-SG 2.91Å; C745-V753 PolarHBondContact N-O 3.29Å; C745-V753 PolarHBondContact O-N 2.8Å; C745-Y755 HydrophobicContact CB-CD2 3.64Å; C745-Y755 HydrophobicContact CB-CE2 3.82Å
746	E	85.5	Confident	81.8	Confident	76 Å²	76	31.2 Å²	31.2	36%	0.355	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.8	175.8	-171.5	173.6	-154.9	0	0	111.3	N678 W752	N678-E746 HydrophobicContact CB-CB 4.31Å; N678-E746 PolarHBondContact ND2-OE2 2.59Å; N678-E746 PolarHBondContact O-N 3.32Å; E746-W752 HydrophobicContact CB-CE3 4.42Å; E746-W752 HydrophobicContact CB-CH2 4.25Å; E746-W752 HydrophobicContact CB-CZ2 4.37Å; E746-W752 HydrophobicContact CB-CZ3 4.28Å
747	R	78.6	Confident	83.5	Confident	66 Å²	66	22.1 Å²	22.1	25%	0.249	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-85.7	143.3	176.2	-173.1	-177.4	-82	156.6	-1.8	110.1	E670 G749 G750 G751 V753	E670-R747 IonicContact OE1-CZ 3.79Å; E670-R747 IonicContact OE1-NE 3.06Å; E670-R747 PolarHBondContact OE1-NE 2.75Å; E670-R747 IonicContact OE1-NH2 3.35Å; E670-R747 PolarHBondContact OE1-NH2 3.07Å; E670-R747 VanDerWaalsContact OE1-NH2 3.12Å; E670-R747 IonicContact OE2-CZ 3.04Å; E670-R747 IonicContact OE2-NH2 3.01Å; E670-R747 PolarHBondContact OE2-NH2 3.28Å; R747-G749 PolarHBondContact O-N 3.44Å; R747-G750 PolarHBondContact O-N 3.46Å; R747-G750 VanDerWaalsContact O-N 3.07Å; R747-G751 PolarHBondContact N-O 2.85Å; R747-V753 HydrophobicContact CB-CG2 4.08Å
748	P	66.6	Low	85	Confident	90 Å²	90	22.1 Å²	22.1	58%	0.584	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.6	170.7	-14.1	23.6	0	0	0	110.7	L673	L673-P748 HydrophobicContact CD1-CG 3.32Å
749	G	59.6	Low	85.6	Confident	90 Å²	90	21.6 Å²	21.6	93%	0.928	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.3	0.7	-172.2	0	0	0	0	0	114.5	R747	R747-G749 PolarHBondContact O-N 3.44Å
750	G	65.1	Low	85.6	Confident	49 Å²	49	22.3 Å²	22.3	51%	0.505	15%	0.149	S	C	.	.	S	Bend	trans	93.9	149.2	178.6	0	0	0	0	0	112.5	R747	R747-G750 PolarHBondContact O-N 3.46Å; R747-G750 VanDerWaalsContact O-N 3.07Å
751	G	79.1	Confident	84.9	Confident	16 Å²	16	24 Å²	24	17%	0.165	17%	0.167	C	C	.	.			trans	107.2	140.8	178	0	0	0	0	0	114.2	G528 R747	G528-G751 CarbonylContact O-C 3.52Å; G528-G751 WeakPolarHBondContact O-CA 3.49Å; R747-G751 PolarHBondContact N-O 2.85Å
752	W	88.5	Confident	83.4	Confident	21 Å²	21	28.8 Å²	28.8	8%	0.08	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.3	-177.4	-69.1	86.5	0	0	0	112	G528 W551 W553 C664 N678 H680 V744 E746	G528-W752 WeakPolarHBondContact CA-O 3.29Å; G528-W752 PolarHBondContact O-N 2.85Å; W551-W752 HydrophobicContact CH2-CD2 4.29Å; W551-W752 AromaticContact CH2-CE3 3.92Å; W551-W752 HydrophobicContact CH2-CE3 3.92Å; W551-W752 AromaticContact CH2-CH2 3.57Å; W551-W752 HydrophobicContact CH2-CH2 3.57Å; W551-W752 AromaticContact CH2-CZ2 3.95Å; W551-W752 HydrophobicContact CH2-CZ2 3.95Å; W551-W752 AromaticContact CH2-CZ3 3.54Å; W551-W752 HydrophobicContact CH2-CZ3 3.54Å; W551-W752 AromaticContact CZ3-CD2 3.78Å; W551-W752 HydrophobicContact CZ3-CD2 3.78Å; W551-W752 AromaticContact CZ3-CE3 3.6Å; W551-W752 HydrophobicContact CZ3-CE3 3.6Å; W551-W752 HydrophobicContact CZ3-CG 4.5Å; W551-W752 HydrophobicContact CZ3-CH2 4.06Å; W551-W752 HydrophobicContact CZ3-CZ2 4.21Å; W551-W752 AromaticContact CZ3-CZ3 3.75Å; W551-W752 HydrophobicContact CZ3-CZ3 3.75Å; W553-W752 HydrophobicContact CH2-CB 3.24Å; W553-W752 AromaticContact CH2-CD1 3.62Å; W553-W752 HydrophobicContact CH2-CD2 4.34Å; W553-W752 AromaticContact CH2-CG 3.42Å; W553-W752 HydrophobicContact CH2-CG 3.42Å; W553-W752 VanDerWaalsContact CH2-CG 3.42Å; W553-W752 HydrophobicContact CZ2-CB 3.42Å; W553-W752 VanDerWaalsContact CZ2-CB 3.42Å; W553-W752 HydrophobicContact CZ2-CD2 4.25Å; W553-W752 AromaticContact CZ2-CG 3.68Å; W553-W752 HydrophobicContact CZ2-CG 3.68Å; W553-W752 HydrophobicContact CZ3-CB 4.13Å; C664-W752 WeakPolarHBondContact CB-O 2.94Å; C664-W752 PolarHBondContact N-O 3.15Å; C664-W752 VanDerWaalsContact N-O 3.07Å; N678-W752 WeakPolarHBondContact O-CZ3 3.46Å; H680-W752 AromaticContact CD2-CH2 3.46Å; H680-W752 VanDerWaalsContact CD2-CH2 3.46Å; H680-W752 WeakPolarHBondContact CD2-CH2 3.05Å; H680-W752 AromaticContact CD2-CZ3 3.6Å; H680-W752 AromaticContact NE2-CH2 3.85Å; V744-W752 HydrophobicContact CB-CE3 4.13Å; V744-W752 HydrophobicContact CG2-CE3 4.06Å; V744-W752 HydrophobicContact CG2-CZ3 4.47Å; E746-W752 HydrophobicContact CB-CE3 4.42Å; E746-W752 HydrophobicContact CB-CH2 4.25Å; E746-W752 HydrophobicContact CB-CZ2 4.37Å; E746-W752 HydrophobicContact CB-CZ3 4.28Å
753	V	90.7	Very high	81.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.8	-175.3	-176.7	0	0	0	0	109.9	C664 P666 V744 C745 R747 Y755	C664-V753 HydrophobicContact CB-CG2 4.03Å; C664-V753 CarbonylContact O-C 3.49Å; C664-V753 VanDerWaalsContact O-CA 3.3Å; C664-V753 WeakPolarHBondContact O-CA 3.36Å; C664-V753 WeakPolarHBondContact O-CG1 2.98Å; P666-V753 HydrophobicContact CB-CG1 3.9Å; P666-V753 HydrophobicContact CG-CG1 4.46Å; V744-V753 CarbonylContact C-O 3.57Å; V744-V753 VanDerWaalsContact CA-O 3.25Å; V744-V753 WeakPolarHBondContact CA-O 3.3Å; C745-V753 PolarHBondContact N-O 3.29Å; C745-V753 PolarHBondContact O-N 2.8Å; R747-V753 HydrophobicContact CB-CG2 4.08Å; V753-Y755 HydrophobicContact CB-CD2 4.1Å; V753-Y755 HydrophobicContact CB-CE2 3.68Å; V753-Y755 HydrophobicContact CG1-CD2 4.19Å; V753-Y755 HydrophobicContact CG1-CE1 4.34Å; V753-Y755 HydrophobicContact CG1-CE2 3.91Å; V753-Y755 WeakPolarHBondContact O-CD2 3.07Å; V753-Y755 PolarHBondContact O-N 3.22Å
754	V	93.6	Very high	79.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	98.7	175.2	61.8	0	0	0	0	110.5	T573 I575 L581 A663 C664 L665 P666 P742 V744 G756 V776	T573-V754 HydrophobicContact CG2-CB 4.29Å; T573-V754 HydrophobicContact CG2-CG2 4.27Å; I575-V754 HydrophobicContact CG2-CG1 4.27Å; L581-V754 HydrophobicContact CD2-CG1 4.26Å; L581-V754 HydrophobicContact CD2-CG2 4.46Å; A663-V754 HydrophobicContact CB-CB 4.34Å; A663-V754 HydrophobicContact CB-CG1 4.41Å; C664-V754 PolarHBondContact O-N 2.73Å; L665-V754 HydrophobicContact CD2-CG1 3.99Å; P666-V754 VanDerWaalsContact CD-O 3.27Å; P666-V754 WeakPolarHBondContact CD-O 3.14Å; P742-V754 HydrophobicContact CB-CG2 4.17Å; V744-V754 HydrophobicContact CG1-CB 4.02Å; V744-V754 HydrophobicContact CG1-CG2 4.43Å; V754-G756 WeakPolarHBondContact CG2-O 3.34Å; V754-V776 HydrophobicContact CG2-CG2 4.29Å; V754-V776 WeakPolarHBondContact O-CB 3.49Å
755	Y	92.3	Very high	77.5	Confident	11 Å²	11	44 Å²	44	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-28.4	-179.7	-77.1	-78.2	0	0	0	113	P666 E670 V672 L721 L743 C745 V753 V776	P666-Y755 HydrophobicContact CB-CD1 4.23Å; P666-Y755 HydrophobicContact CB-CE1 4.14Å; E670-Y755 HydrophobicContact CB-CE1 4.45Å; E670-Y755 HydrophobicContact CG-CE1 4.05Å; E670-Y755 PolarHBondContact OE1-OH 2.78Å; V672-Y755 HydrophobicContact CG2-CD1 3.46Å; V672-Y755 VanDerWaalsContact CG2-CD1 3.46Å; V672-Y755 HydrophobicContact CG2-CD2 3.67Å; V672-Y755 HydrophobicContact CG2-CE1 3.66Å; V672-Y755 HydrophobicContact CG2-CE2 3.81Å; V672-Y755 HydrophobicContact CG2-CG 3.46Å; V672-Y755 VanDerWaalsContact CG2-CG 3.46Å; L721-Y755 WeakPolarHBondContact CD1-O 3.42Å; L743-Y755 PolarHBondContact O-N 2.63Å; C745-Y755 HydrophobicContact CB-CD2 3.64Å; C745-Y755 HydrophobicContact CB-CE2 3.82Å; V753-Y755 HydrophobicContact CB-CD2 4.1Å; V753-Y755 HydrophobicContact CB-CE2 3.68Å; V753-Y755 HydrophobicContact CG1-CD2 4.19Å; V753-Y755 HydrophobicContact CG1-CE1 4.34Å; V753-Y755 HydrophobicContact CG1-CE2 3.91Å; V753-Y755 WeakPolarHBondContact O-CD2 3.07Å; V753-Y755 PolarHBondContact O-N 3.22Å; Y755-V776 PolarHBondContact O-N 2.73Å
756	G	92.4	Very high	75.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.7	-179.7	0	0	0	0	0	113.1	L743 V754 T774	L743-G756 PolarHBondContact N-O 2.77Å; L743-G756 PolarHBondContact O-N 2.02Å; L743-G756 VanDerWaalsContact O-N 3.11Å; V754-G756 WeakPolarHBondContact CG2-O 3.34Å; G756-T774 VanDerWaalsContact CA-O 3.28Å; G756-T774 WeakPolarHBondContact CA-O 3.45Å
757	V	94.4	Very high	73.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.7	167.5	175.4	0	0	0	0	107.7	L581 L636 S759 Y773 T774 V776	L581-V757 HydrophobicContact CD2-CG2 3.73Å; L581-V757 HydrophobicContact CG-CG2 3.92Å; L636-V757 HydrophobicContact CD1-CB 4.31Å; L636-V757 HydrophobicContact CD1-CG2 3.88Å; V757-S759 PolarHBondContact O-N 3.2Å; V757-Y773 CarbonylContact O-C 3.56Å; V757-Y773 WeakPolarHBondContact O-CA 3.04Å; V757-T774 PolarHBondContact N-O 3.42Å; V757-T774 VanDerWaalsContact N-O 3.09Å; V757-T774 PolarHBondContact O-N 2.7Å; V757-V776 HydrophobicContact CG2-CG2 3.86Å
758	T	91.6	Very high	72.8	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	122.2	-178.6	-53.1	0	0	0	0	110.6	D738 G740 G741 Y773	D738-T758 HydrophobicContact CB-CG2 4.31Å; D738-T758 WeakPolarHBondContact O-CB 3.39Å; D738-T758 PolarHBondContact O-OG1 3.18Å; G740-T758 PolarHBondContact N-O 3.4Å; G741-T758 PolarHBondContact O-N 2.81Å; G741-T758 PolarHBondContact O-OG1 3.2Å; T758-Y773 HydrophobicContact CG2-CE1 4.27Å; T758-Y773 WeakPolarHBondContact OG1-CE1 3.24Å
759	S	89.4	Confident	72.7	Confident	7 Å²	7	54 Å²	54	5%	0.049	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-66.2	-172.6	-178.6	0	0	0	0	112.1	H585 D635 V757 V772	H585-S759 PolarHBondContact CE1-O 3.05Å; D635-S759 WeakPolarHBondContact CB-OG 3.13Å; D635-S759 WeakPolarHBondContact OD2-CB 3.26Å; D635-S759 PolarHBondContact OD2-OG 2.76Å; V757-S759 PolarHBondContact O-N 3.2Å; S759-V772 WeakPolarHBondContact CB-O 3.49Å; S759-V772 PolarHBondContact N-O 3.34Å; S759-V772 VanDerWaalsContact N-O 3.15Å
760	W	84.8	Confident	73.6	Confident	38 Å²	38	50.1 Å²	50.1	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	168.3	-176.7	65.8	-80.2	0	0	0	113.1	N632 F712 A715 M720 V772	N632-W760 HydrophobicContact CB-CD2 4.36Å; N632-W760 HydrophobicContact CB-CG 3.87Å; F712-W760 HydrophobicContact CB-CH2 4.14Å; F712-W760 AromaticContact CD1-CH2 3.43Å; F712-W760 HydrophobicContact CD1-CH2 3.43Å; F712-W760 VanDerWaalsContact CD1-CH2 3.43Å; F712-W760 AromaticContact CD1-CZ3 3.64Å; F712-W760 HydrophobicContact CD1-CZ3 3.64Å; F712-W760 AromaticContact CE1-CH2 3.91Å; F712-W760 HydrophobicContact CE1-CH2 3.91Å; F712-W760 AromaticContact CE1-CZ3 3.73Å; F712-W760 HydrophobicContact CE1-CZ3 3.73Å; F712-W760 AromaticContact CG-CH2 3.84Å; F712-W760 HydrophobicContact CG-CH2 3.84Å; F712-W760 HydrophobicContact CG-CZ3 4.47Å; A715-W760 HydrophobicContact CB-CH2 3.97Å; A715-W760 HydrophobicContact CB-CZ2 4.23Å; M720-W760 HydrophobicContact SD-CZ2 4.36Å; W760-V772 HydrophobicContact CD2-CB 4.09Å; W760-V772 HydrophobicContact CD2-CG2 4.24Å; W760-V772 HydrophobicContact CE3-CG2 4.5Å; W760-V772 HydrophobicContact CG-CB 4.26Å; W760-V772 HydrophobicContact CH2-CG2 4.22Å; W760-V772 HydrophobicContact CZ2-CB 4.26Å; W760-V772 HydrophobicContact CZ2-CG1 4.11Å; W760-V772 HydrophobicContact CZ2-CG2 3.95Å; W760-V772 HydrophobicContact CZ3-CG2 4.48Å; W760-V772 PolarHBondContact N-O 2.94Å; W760-V772 VanDerWaalsContact N-O 3.15Å; W760-V772 WeakPolarHBondContact O-CA 3.49Å; W760-V772 WeakPolarHBondContact O-CB 3.31Å; W760-V772 PolarHBondContact O-N 3.49Å
761	G	74.2	Confident	74.5	Confident	36 Å²	36	47.8 Å²	47.8	37%	0.371	25%	0.25	S	C	.	.			trans	-171.7	158.8	175.3	0	0	0	0	0	111.4	A763	G761-A763 VanDerWaalsContact C-N 3.27Å; G761-A763 PolarHBondContact O-N 3.16Å
762	H	58.2	Low	75	Confident	99 Å²	99	47 Å²	47	46%	0.458	24%	0.242	S	C	.	.	S	Bend	trans	-77.9	74.3	179.1	-75.3	-60.1	0	0	0	111.5	F712 T766	F712-H762 AromaticContact CD1-CD2 3.81Å; F712-H762 AromaticContact CD1-NE2 3.76Å; F712-H762 AromaticContact CE1-CD2 3.45Å; F712-H762 VanDerWaalsContact CE1-CD2 3.45Å; F712-H762 WeakPolarHBondContact CE1-CD2 3.42Å; F712-H762 AromaticContact CE1-NE2 3.89Å; H762-T766 PolarHBondContact O-OG1 3.48Å
763	A	51.7	Low	75.2	Confident	62 Å²	62	46 Å²	46	51%	0.512	24%	0.238	S	C	.	.			trans	52.7	123.8	173.5	0	0	0	0	0	115.1	G761 R765 T766	G761-A763 VanDerWaalsContact C-N 3.27Å; G761-A763 PolarHBondContact O-N 3.16Å; A763-R765 PolarHBondContact O-N 3.11Å; A763-T766 PolarHBondContact O-N 3.15Å
764	C	53.6	Low	75.3	Confident	56 Å²	56	46.1 Å²	46.1	38%	0.378	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	3.5	-175	-22.9	0	0	0	0	116.6	C735	C735-C764 WeakPolarHBondContact CA-SG 3.07Å; C735-C764 HydrophobicContact CB-CB 3.7Å; C735-C764 WeakPolarHBondContact CB-SG 3.28Å; C735-C764 WeakPolarHBondContact SG-CB 3.42Å; C735-C764 CovalentContact SG-SG 2.02Å; C735-C764 PolarHBondContact SG-SG 3.45Å
765	R	49.2	Very low	75.3	Confident	202 Å²	202	48.6 Å²	48.6	76%	0.762	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-4.3	-177.8	-59.8	-174.8	-166.1	167.1	2.7	114.4	A763	A763-R765 PolarHBondContact O-N 3.11Å
766	T	50.7	Low	75.4	Confident	77 Å²	77	48 Å²	48	47%	0.472	25%	0.248	S	C	.	.	S	Bend	trans	-88.7	135.1	176.7	66.4	0	0	0	0	111.5	H762 A763 Q768	H762-T766 PolarHBondContact O-OG1 3.48Å; A763-T766 PolarHBondContact O-N 3.15Å; T766-Q768 PolarHBondContact O-N 3.47Å
767	Q	48.6	Very low	75.4	Confident	190 Å²	190	48.4 Å²	48.4	89%	0.888	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-1.1	-151.8	-147.7	156.9	-10.4	0	0	115.6
768	Q	55.3	Low	75.3	Confident	164 Å²	164	50.6 Å²	50.6	77%	0.766	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.4	12.5	-170.9	-65.7	-175.1	-14.8	0	0	115.6	T766 P770	T766-Q768 PolarHBondContact O-N 3.47Å; Q768-P770 WeakPolarHBondContact O-CD 3.42Å
769	S	64.2	Low	75.3	Confident	11 Å²	11	50.7 Å²	50.7	8%	0.077	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-90.3	123	-178.4	-171.2	0	0	0	0	111.6
770	P	78	Confident	75.3	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.052	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72.7	154.6	170	29.8	-33.2	0	0	0	111.8	L703 F712 C722 Q768	L703-P770 HydrophobicContact CD1-CB 3.44Å; L703-P770 VanDerWaalsContact CD1-CB 3.44Å; L703-P770 HydrophobicContact CD1-CG 3.87Å; F712-P770 HydrophobicContact CE2-CG 3.86Å; F712-P770 HydrophobicContact CZ-CG 4.06Å; F712-P770 WeakPolarHBondContact CZ-O 3.29Å; C722-P770 VanDerWaalsContact SG-CB 3.55Å; C722-P770 WeakPolarHBondContact SG-CG 3.42Å; Q768-P770 WeakPolarHBondContact O-CD 3.42Å
771	G	84	Confident	75.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	142.8	173.3	0	0	0	0	0	111.6	C722 A723 Y773	C722-G771 WeakPolarHBondContact CA-O 3.39Å; A723-G771 PolarHBondContact N-O 3.19Å; A723-G771 PolarHBondContact O-N 2.79Å; G771-Y773 WeakPolarHBondContact O-CD2 3.44Å; G771-Y773 WeakPolarHBondContact O-CE2 3.08Å
772	V	89.5	Confident	76.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.7	177.5	-174.5	0	0	0	0	110.3	F712 F716 M720 L721 S759 W760	F712-V772 HydrophobicContact CD2-CG2 4.04Å; F712-V772 HydrophobicContact CE1-CG2 4.22Å; F712-V772 HydrophobicContact CE2-CG2 3.49Å; F712-V772 VanDerWaalsContact CE2-CG2 3.49Å; F712-V772 HydrophobicContact CZ-CG2 3.6Å; F716-V772 HydrophobicContact CD2-CG1 4.07Å; F716-V772 HydrophobicContact CE2-CG1 4.13Å; M720-V772 HydrophobicContact CB-CG1 3.93Å; M720-V772 HydrophobicContact CG-CG1 4.13Å; M720-V772 HydrophobicContact SD-CG1 3.81Å; L721-V772 WeakPolarHBondContact O-CA 3.48Å; S759-V772 WeakPolarHBondContact CB-O 3.49Å; S759-V772 PolarHBondContact N-O 3.34Å; S759-V772 VanDerWaalsContact N-O 3.15Å; W760-V772 HydrophobicContact CD2-CB 4.09Å; W760-V772 HydrophobicContact CD2-CG2 4.24Å; W760-V772 HydrophobicContact CE3-CG2 4.5Å; W760-V772 HydrophobicContact CG-CB 4.26Å; W760-V772 HydrophobicContact CH2-CG2 4.22Å; W760-V772 HydrophobicContact CZ2-CB 4.26Å; W760-V772 HydrophobicContact CZ2-CG1 4.11Å; W760-V772 HydrophobicContact CZ2-CG2 3.95Å; W760-V772 HydrophobicContact CZ3-CG2 4.48Å; W760-V772 PolarHBondContact N-O 2.94Å; W760-V772 VanDerWaalsContact N-O 3.15Å; W760-V772 WeakPolarHBondContact O-CA 3.49Å; W760-V772 WeakPolarHBondContact O-CB 3.31Å; W760-V772 PolarHBondContact O-N 3.49Å
773	Y	92	Very high	78.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.3	-175.2	-56	-97.1	0	0	0	110.2	I681 L700 M720 L721 A723 S734 L743 V757 T758 G771 K775	I681-Y773 HydrophobicContact CG2-CE1 3.77Å; L700-Y773 WeakPolarHBondContact CD1-OH 2.76Å; M720-Y773 CarbonylContact C-O 3.53Å; M720-Y773 WeakPolarHBondContact CA-O 3.04Å; L721-Y773 PolarHBondContact N-O 3.47Å; L721-Y773 PolarHBondContact O-N 2.93Å; A723-Y773 HydrophobicContact CB-CD2 4.16Å; A723-Y773 HydrophobicContact CB-CE2 3.66Å; S734-Y773 PolarHBondContact OG-OH 3.33Å; L743-Y773 HydrophobicContact CB-CD1 3.84Å; L743-Y773 HydrophobicContact CB-CE1 4.16Å; L743-Y773 HydrophobicContact CB-CG 4.39Å; L743-Y773 HydrophobicContact CD2-CD1 4.13Å; L743-Y773 HydrophobicContact CD2-CD2 4Å; L743-Y773 HydrophobicContact CD2-CE2 4.4Å; L743-Y773 HydrophobicContact CD2-CG 3.87Å; V757-Y773 CarbonylContact O-C 3.56Å; V757-Y773 WeakPolarHBondContact O-CA 3.04Å; T758-Y773 HydrophobicContact CG2-CE1 4.27Å; T758-Y773 WeakPolarHBondContact OG1-CE1 3.24Å; G771-Y773 WeakPolarHBondContact O-CD2 3.44Å; G771-Y773 WeakPolarHBondContact O-CE2 3.08Å; Y773-K775 PolarHBondContact O-N 3.21Å
774	T	94.3	Very high	79.9	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.7	171.8	-60.5	0	0	0	0	109.7	D635 L636 G756 V757 V776 F779	D635-T774 WeakPolarHBondContact O-CB 3.39Å; D635-T774 PolarHBondContact O-OG1 3.23Å; L636-T774 HydrophobicContact CB-CG2 4.2Å; L636-T774 HydrophobicContact CD1-CG2 4.03Å; G756-T774 VanDerWaalsContact CA-O 3.28Å; G756-T774 WeakPolarHBondContact CA-O 3.45Å; V757-T774 PolarHBondContact N-O 3.42Å; V757-T774 VanDerWaalsContact N-O 3.09Å; V757-T774 PolarHBondContact O-N 2.7Å; T774-V776 PolarHBondContact O-N 2.75Å; T774-F779 HydrophobicContact CG2-CD2 3.84Å; T774-F779 HydrophobicContact CG2-CE2 3.43Å; T774-F779 VanDerWaalsContact CG2-CE2 3.43Å; T774-F779 HydrophobicContact CG2-CZ 4.35Å
775	K	93.6	Very high	81.6	Confident	51 Å²	51	51.3 Å²	51.3	22%	0.222	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	102.6	-176.8	-173.5	175.6	175.4	177.5	0	111.4	R719 L721 Y773 S777 A778 F779	R719-K775 WeakPolarHBondContact O-CB 3.17Å; R719-K775 PolarHBondContact O-N 2.94Å; L721-K775 HydrophobicContact CD1-CB 4.25Å; L721-K775 HydrophobicContact CD1-CG 4.03Å; L721-K775 HydrophobicContact CD2-CB 4.39Å; L721-K775 HydrophobicContact CD2-CD 3.91Å; L721-K775 HydrophobicContact CD2-CG 3.96Å; L721-K775 HydrophobicContact CG-CB 3.79Å; L721-K775 HydrophobicContact CG-CD 4.24Å; L721-K775 HydrophobicContact CG-CG 3.78Å; Y773-K775 PolarHBondContact O-N 3.21Å; K775-S777 VanDerWaalsContact C-N 3.28Å; K775-S777 WeakPolarHBondContact CE-OG 3.4Å; K775-S777 PolarHBondContact O-N 3.31Å; K775-A778 HydrophobicContact CB-CB 4.34Å; K775-A778 HydrophobicContact CG-CB 4.41Å; K775-A778 WeakPolarHBondContact O-CB 3.32Å; K775-A778 PolarHBondContact O-N 2.93Å; K775-F779 VanDerWaalsContact O-CD2 3.3Å; K775-F779 WeakPolarHBondContact O-CD2 2.96Å
776	V	94.1	Very high	83.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-36.4	-174.5	-178.6	0	0	0	0	112.5	L581 L665 P666 V754 Y755 V757 T774 A778 F779 S780 I783	L581-V776 HydrophobicContact CD2-CG1 4.06Å; L581-V776 HydrophobicContact CD2-CG2 3.97Å; L665-V776 HydrophobicContact CD2-CG1 4.07Å; P666-V776 HydrophobicContact CG-CB 3.95Å; P666-V776 HydrophobicContact CG-CG1 3.74Å; V754-V776 HydrophobicContact CG2-CG2 4.29Å; V754-V776 WeakPolarHBondContact O-CB 3.49Å; Y755-V776 PolarHBondContact O-N 2.73Å; V757-V776 HydrophobicContact CG2-CG2 3.86Å; T774-V776 PolarHBondContact O-N 2.75Å; V776-A778 PolarHBondContact O-N 3.35Å; V776-A778 VanDerWaalsContact O-N 3.13Å; V776-F779 CarbonylContact O-C 3.49Å; V776-F779 PolarHBondContact O-N 2.82Å; V776-S780 PolarHBondContact O-N 3.35Å; V776-S780 VanDerWaalsContact O-N 3.13Å; V776-I783 HydrophobicContact CG1-CD1 3.76Å
777	S	91.8	Very high	85.3	Confident	7 Å²	7	41.2 Å²	41.2	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-13.9	179.3	71.7	0	0	0	0	114.5	E670 K775	E670-S777 PolarHBondContact O-OG 3.33Å; E670-S777 VanDerWaalsContact O-OG 3.13Å; K775-S777 VanDerWaalsContact C-N 3.28Å; K775-S777 WeakPolarHBondContact CE-OG 3.4Å; K775-S777 PolarHBondContact O-N 3.31Å
778	A	91.8	Very high	86.5	Confident	46 Å²	46	35.1 Å²	35.1	38%	0.38	19%	0.192	S	C	.	.	H	α-helix	trans	-79.7	-21.8	170.9	0	0	0	0	0	112.8	R719 K775 V776	R719-A778 HydrophobicContact CB-CB 4.44Å; R719-A778 HydrophobicContact CG-CB 4.25Å; K775-A778 HydrophobicContact CB-CB 4.34Å; K775-A778 HydrophobicContact CG-CB 4.41Å; K775-A778 WeakPolarHBondContact O-CB 3.32Å; K775-A778 PolarHBondContact O-N 2.93Å; V776-A778 PolarHBondContact O-N 3.35Å; V776-A778 VanDerWaalsContact O-N 3.13Å
779	F	92.9	Very high	86.8	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-112.3	4.9	-176	-60.3	-74.7	0	0	0	113.5	H624 Y634 L636 R719 T774 K775 V776 T781 W782 I783	H624-F779 AromaticContact CD2-CD1 3.83Å; H624-F779 AromaticContact NE2-CD1 3.82Å; H624-F779 AromaticContact NE2-CE1 3.95Å; Y634-F779 AromaticContact CD1-CE1 3.46Å; Y634-F779 HydrophobicContact CD1-CE1 3.46Å; Y634-F779 VanDerWaalsContact CD1-CE1 3.46Å; Y634-F779 AromaticContact CD1-CZ 3.93Å; Y634-F779 HydrophobicContact CD1-CZ 3.93Å; Y634-F779 AromaticContact CE1-CE1 3.83Å; Y634-F779 HydrophobicContact CE1-CE1 3.83Å; Y634-F779 HydrophobicContact CE1-CZ 4.4Å; Y634-F779 HydrophobicContact CG-CE1 4.41Å; L636-F779 HydrophobicContact CD2-CB 3.38Å; L636-F779 HydrophobicContact CD2-CD1 4.28Å; L636-F779 HydrophobicContact CD2-CD2 3.86Å; L636-F779 HydrophobicContact CD2-CG 3.57Å; R719-F779 HydrophobicContact CB-CE2 4.02Å; R719-F779 HydrophobicContact CB-CZ 3.88Å; R719-F779 HydrophobicContact CG-CE2 4.48Å; R719-F779 HydrophobicContact CG-CZ 4.03Å; T774-F779 HydrophobicContact CG2-CD2 3.84Å; T774-F779 HydrophobicContact CG2-CE2 3.43Å; T774-F779 VanDerWaalsContact CG2-CE2 3.43Å; T774-F779 HydrophobicContact CG2-CZ 4.35Å; K775-F779 VanDerWaalsContact O-CD2 3.3Å; K775-F779 WeakPolarHBondContact O-CD2 2.96Å; V776-F779 CarbonylContact O-C 3.49Å; V776-F779 PolarHBondContact O-N 2.82Å; F779-T781 PolarHBondContact O-N 2.76Å; F779-T781 VanDerWaalsContact O-N 3.09Å; F779-W782 WeakPolarHBondContact O-CB 3.48Å; F779-W782 PolarHBondContact O-N 3.48Å; F779-I783 HydrophobicContact CB-CD1 4.41Å; F779-I783 WeakPolarHBondContact O-CG1 3.06Å; F779-I783 PolarHBondContact O-N 2.97Å
780	S	89.8	Confident	85.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-32.9	-174.6	69	0	0	0	0	113.5	V776 R784	V776-S780 PolarHBondContact O-N 3.35Å; V776-S780 VanDerWaalsContact O-N 3.13Å; S780-R784 WeakPolarHBondContact O-CB 3.36Å; S780-R784 WeakPolarHBondContact O-CG 3.46Å; S780-R784 PolarHBondContact O-N 2.86Å; S780-R784 PolarHBondContact OG-NH2 2Å
781	T	90	Very high	84.1	Confident	66 Å²	66	44.7 Å²	44.7	41%	0.405	24%	0.235	S	C	.	.	H	α-helix	trans	-70.1	-41.2	176	50.8	0	0	0	0	112.2	F779 K785	F779-T781 PolarHBondContact O-N 2.76Å; F779-T781 VanDerWaalsContact O-N 3.09Å; T781-K785 WeakPolarHBondContact O-CB 3.22Å; T781-K785 PolarHBondContact O-N 2.88Å; T781-K785 VanDerWaalsContact O-N 3.08Å
782	W	93.1	Very high	81.7	Confident	32 Å²	32	54 Å²	54	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-44.8	176	174.2	80.1	0	0	0	110.5	I622 H624 L636 L638 F779 K785 I786	I622-W782 HydrophobicContact CG2-CZ2 3.97Å; H624-W782 HydrophobicContact CB-CH2 4.4Å; H624-W782 HydrophobicContact CB-CZ2 4.22Å; H624-W782 AromaticContact CD2-CD2 3.61Å; H624-W782 AromaticContact CD2-CE2 3.77Å; H624-W782 AromaticContact CD2-CG 3.8Å; L636-W782 HydrophobicContact CD2-CE3 3.85Å; L636-W782 HydrophobicContact CD2-CZ3 3.66Å; L636-W782 HydrophobicContact CG-CZ3 4.04Å; L638-W782 HydrophobicContact CB-CH2 4.38Å; L638-W782 HydrophobicContact CD1-CE3 4.36Å; L638-W782 HydrophobicContact CD1-CH2 3.94Å; L638-W782 HydrophobicContact CD1-CZ3 3.81Å; L638-W782 HydrophobicContact CG-CH2 3.92Å; L638-W782 HydrophobicContact CG-CZ3 3.85Å; F779-W782 WeakPolarHBondContact O-CB 3.48Å; F779-W782 PolarHBondContact O-N 3.48Å; W782-K785 PolarHBondContact O-N 3.23Å; W782-I786 HydrophobicContact CZ2-CG1 4.48Å; W782-I786 WeakPolarHBondContact O-CG1 3.48Å; W782-I786 PolarHBondContact O-N 3.2Å; W782-I786 VanDerWaalsContact O-N 3.11Å
783	I	92.8	Very high	78.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.9	-54.3	177.3	-62.5	168.7	0	0	0	110.1	I575 L581 L636 L638 L665 V776 F779 K785 I786 T787	I575-I783 HydrophobicContact CD1-CG2 3.81Å; L581-I783 HydrophobicContact CD1-CD1 3.93Å; L581-I783 HydrophobicContact CD1-CG1 4.33Å; L581-I783 HydrophobicContact CD2-CD1 4.41Å; L636-I783 HydrophobicContact CD2-CD1 4.23Å; L636-I783 HydrophobicContact CD2-CG1 4.3Å; L638-I783 HydrophobicContact CD1-CG2 4.42Å; L638-I783 HydrophobicContact CD2-CG2 4.37Å; L665-I783 HydrophobicContact CD1-CG2 3.68Å; L665-I783 HydrophobicContact CD2-CD1 4.26Å; L665-I783 HydrophobicContact CD2-CG2 4.37Å; V776-I783 HydrophobicContact CG1-CD1 3.76Å; F779-I783 HydrophobicContact CB-CD1 4.41Å; F779-I783 WeakPolarHBondContact O-CG1 3.06Å; F779-I783 PolarHBondContact O-N 2.97Å; I783-K785 VanDerWaalsContact C-N 3.33Å; I783-K785 PolarHBondContact O-N 3.17Å; I783-I786 PolarHBondContact O-N 3.47Å; I783-I786 VanDerWaalsContact O-N 3.13Å; I783-T787 HydrophobicContact CG2-CG2 4.14Å; I783-T787 WeakPolarHBondContact O-CG2 3.49Å; I783-T787 PolarHBondContact O-N 3.03Å; I783-T787 PolarHBondContact O-OG1 3.39Å
784	R	88.7	Confident	75.9	Confident	51 Å²	51	75.9 Å²	75.9	19%	0.192	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-40.4	-178.5	-80.8	-168.3	-92.4	-81.3	8.1	113.6	P666 S780 I786 T787 G788 R789	P666-R784 PolarHBondContact O-NH1 3.35Å; S780-R784 WeakPolarHBondContact O-CB 3.36Å; S780-R784 WeakPolarHBondContact O-CG 3.46Å; S780-R784 PolarHBondContact O-N 2.86Å; S780-R784 PolarHBondContact OG-NH2 2Å; R784-I786 VanDerWaalsContact C-N 3.34Å; R784-I786 PolarHBondContact O-N 3.12Å; R784-T787 PolarHBondContact O-N 3.45Å; R784-T787 PolarHBondContact O-OG1 3.37Å; R784-G788 PolarHBondContact O-N 3Å; R784-G788 VanDerWaalsContact O-N 3.14Å; R784-R789 WeakPolarHBondContact CB-O 3.3Å; R784-R789 HydrophobicContact CG-CB 4.31Å; R784-R789 PolarHBondContact O-N 3.08Å
785	K	90.1	Very high	75	Confident	160 Å²	160	79.6 Å²	79.6	70%	0.696	39%	0.391	S	S	*	.	H	α-helix	trans	-60	-43.4	175.9	-179.2	-179.8	179	-179.6	0	111.8	T781 W782 I783	T781-K785 WeakPolarHBondContact O-CB 3.22Å; T781-K785 PolarHBondContact O-N 2.88Å; T781-K785 VanDerWaalsContact O-N 3.08Å; W782-K785 PolarHBondContact O-N 3.23Å; I783-K785 VanDerWaalsContact C-N 3.33Å; I783-K785 PolarHBondContact O-N 3.17Å
786	I	90.4	Very high	74	Confident	53 Å²	53	81.1 Å²	81.1	27%	0.272	40%	0.4	S	S	.	.	H	α-helix	trans	-75	-39.7	-178.4	-65.2	-62.4	0	0	0	111.5	W579 I622 L638 W782 I783 R784 G788	W579-I786 HydrophobicContact CH2-CG2 3.71Å; W579-I786 HydrophobicContact CZ2-CG2 4.3Å; W579-I786 HydrophobicContact CZ3-CG2 4.01Å; I622-I786 HydrophobicContact CD1-CG2 3.42Å; I622-I786 VanDerWaalsContact CD1-CG2 3.42Å; L638-I786 HydrophobicContact CD1-CB 3.77Å; L638-I786 HydrophobicContact CD1-CG1 4.43Å; L638-I786 HydrophobicContact CD1-CG2 3.59Å; W782-I786 HydrophobicContact CZ2-CG1 4.48Å; W782-I786 WeakPolarHBondContact O-CG1 3.48Å; W782-I786 PolarHBondContact O-N 3.2Å; W782-I786 VanDerWaalsContact O-N 3.11Å; I783-I786 PolarHBondContact O-N 3.47Å; I783-I786 VanDerWaalsContact O-N 3.13Å; R784-I786 VanDerWaalsContact C-N 3.34Å; R784-I786 PolarHBondContact O-N 3.12Å; I786-G788 PolarHBondContact O-N 3.35Å
787	T	85.7	Confident	72.9	Confident	15 Å²	15	85.6 Å²	85.6	9%	0.092	42%	0.422	C	S	.	.	H	α-helix	trans	-78.2	-1.5	-179.8	64.5	0	0	0	0	113.6	I575 W579 L638 I783 R784 R789	I575-T787 HydrophobicContact CD1-CG2 4.32Å; W579-T787 HydrophobicContact CB-CG2 4.16Å; W579-T787 HydrophobicContact CD2-CG2 3.88Å; W579-T787 HydrophobicContact CG-CG2 3.7Å; L638-T787 HydrophobicContact CD1-CG2 4.34Å; I783-T787 HydrophobicContact CG2-CG2 4.14Å; I783-T787 WeakPolarHBondContact O-CG2 3.49Å; I783-T787 PolarHBondContact O-N 3.03Å; I783-T787 PolarHBondContact O-OG1 3.39Å; R784-T787 PolarHBondContact O-N 3.45Å; R784-T787 PolarHBondContact O-OG1 3.37Å; T787-R789 VanDerWaalsContact C-N 3.32Å; T787-R789 PolarHBondContact O-N 3.29Å
788	G	74.3	Confident	71.8	Confident	62 Å²	62	90.2 Å²	90.2	64%	0.639	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	18.8	-179.9	0	0	0	0	0	114.8	R784 I786 D790	R784-G788 PolarHBondContact O-N 3Å; R784-G788 VanDerWaalsContact O-N 3.14Å; I786-G788 PolarHBondContact O-N 3.35Å; G788-D790 PolarHBondContact O-N 2.95Å
789	R	61.9	Low	70.5	Confident	94 Å²	94	92.9 Å²	92.9	36%	0.355	45%	0.448	S	S	.	.			trans	-93.6	72	175.6	-68.9	-172.9	-177.6	-163.8	-1.2	109.6	D576 R784 T787	D576-R789 IonicContact OD1-NH2 3.79Å; D576-R789 PolarHBondContact OD1-NH2 3.48Å; D576-R789 IonicContact OD2-CZ 3.51Å; D576-R789 IonicContact OD2-NE 2.79Å; D576-R789 PolarHBondContact OD2-NE 3.37Å; D576-R789 IonicContact OD2-NH2 3.12Å; D576-R789 PolarHBondContact OD2-NH2 3.45Å; R784-R789 WeakPolarHBondContact CB-O 3.3Å; R784-R789 HydrophobicContact CG-CB 4.31Å; R784-R789 PolarHBondContact O-N 3.08Å; T787-R789 VanDerWaalsContact C-N 3.32Å; T787-R789 PolarHBondContact O-N 3.29Å
790	D	43.8	Very low	69.1	Low	132 Å²	132	98.7 Å²	98.7	71%	0.706	48%	0.476	S	S	*	.			trans	-69.2	144.7	176.9	-90.2	-24	0	0	0	112.2	G788 K792	G788-D790 PolarHBondContact O-N 2.95Å; D790-K792 PolarHBondContact O-N 2.98Å
791	E	40.9	Very low	67.6	Low	157 Å²	157	105.6 Å²	105.6	73%	0.734	51%	0.509	S	S	*	.			trans	-63.5	79.7	167.6	-82.3	174.2	166.7	0	0	109.8
792	K	34.4	Very low	65.9	Low	196 Å²	196	108.6 Å²	108.6	85%	0.852	52%	0.517	S	S	*	.			trans	-98.9	74.9	155.2	-82.9	-168.8	179.3	179.2	0	109.4	D790	D790-K792 PolarHBondContact O-N 2.98Å
793	T	30.3	Very low	63.6	Low	137 Å²	137	115 Å²	115	84%	0.84	55%	0.55	S	S	*	.				-175.4	128.5	128.4	23	0	0	0	0	110
794	R	29.9	Very low	60.9	Low	323 Å²	323	125.5 Å²	125.5	100%	1.219	60%	0.6	S	S	*	*			trans	-54.8	0	165.4	-83.7	176.5	167	174.9	-4.5	112.4

Retrieved 794 of 794 residues in 610 ms (Link to these results)

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