A0A087YM87_POEFO Loading...

Info leucine-rich repeat, immunoglobulin-like and transmembrane domains 3a

AlphaFold DB , UniProt , Accession A0A087YM87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.9	Low	58.2	Low	216 Å²	216	129.7 Å²	129.7	100%	1.064	64%	0.636	S	S	*	*				0	-58.4	0	-64.5	-171.1	-175.8	0	0	113.1	R3 L4 L5	M1-R3 PolarHBondContact O-N 3.16Å; M1-R3 VanDerWaalsContact O-N 3.14Å; M1-L4 WeakPolarHBondContact O-CA 3.43Å; M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L5 PolarHBondContact O-N 2.83Å
2	H	51.8	Low	57.4	Low	150 Å²	150	124.5 Å²	124.5	69%	0.694	62%	0.621	S	S	*	*	H	α-helix	trans	-47.2	-46.3	-172	-126.2	33	0	0	0	115.8	L4 L5 C6	H2-L4 VanDerWaalsContact C-N 3.31Å; H2-L4 PolarHBondContact O-N 2.92Å; H2-L5 WeakPolarHBondContact O-CB 3.04Å; H2-L5 PolarHBondContact O-N 3.07Å; H2-L5 VanDerWaalsContact O-N 3.1Å; H2-C6 PolarHBondContact O-N 2.78Å; H2-C6 PolarHBondContact O-SG 3.48Å; H2-C6 VanDerWaalsContact O-SG 3.34Å
3	R	55.1	Low	56.7	Low	205 Å²	205	121.1 Å²	121.1	77%	0.774	62%	0.615	S	S	*	*	H	α-helix	trans	-65.3	-28.1	175.8	-71.4	-168.4	177.9	-156.9	-1.3	114.6	M1 L7	M1-R3 PolarHBondContact O-N 3.16Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-L7 VanDerWaalsContact O-CB 3.29Å; R3-L7 WeakPolarHBondContact O-CB 3.48Å; R3-L7 PolarHBondContact O-N 3.02Å
4	L	57.9	Low	56	Low	120 Å²	120	119.6 Å²	119.6	63%	0.628	61%	0.609	S	S	*	*	H	α-helix	trans	-72	-38.6	171.3	-130.7	80.1	0	0	0	110.9	M1 H2 L7 H8	M1-L4 WeakPolarHBondContact O-CA 3.43Å; M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.8Å; H2-L4 VanDerWaalsContact C-N 3.31Å; H2-L4 PolarHBondContact O-N 2.92Å; L4-L7 PolarHBondContact O-N 3.41Å; L4-H8 WeakPolarHBondContact O-CB 3.21Å; L4-H8 PolarHBondContact O-N 3.1Å
5	L	62.1	Low	55.2	Low	106 Å²	106	115.9 Å²	115.9	56%	0.555	60%	0.598	S	S	*	*	H	α-helix	trans	-63.4	-47.1	174.4	-167.1	74.6	0	0	0	110.7	M1 H2 L7 H8 V9	M1-L5 PolarHBondContact O-N 2.83Å; H2-L5 WeakPolarHBondContact O-CB 3.04Å; H2-L5 PolarHBondContact O-N 3.07Å; H2-L5 VanDerWaalsContact O-N 3.1Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.12Å; L5-H8 PolarHBondContact O-N 2.85Å; L5-V9 WeakPolarHBondContact O-CB 3.34Å; L5-V9 WeakPolarHBondContact O-CG2 3.36Å; L5-V9 PolarHBondContact O-N 3.13Å
6	C	59.6	Low	54.5	Low	76 Å²	76	115.6 Å²	115.6	51%	0.514	59%	0.594	S	S	.	*	H	α-helix	trans	-64.3	-36.5	174.9	-59.7	0	0	0	0	112.3	H2 V9 F10	H2-C6 PolarHBondContact O-N 2.78Å; H2-C6 PolarHBondContact O-SG 3.48Å; H2-C6 VanDerWaalsContact O-SG 3.34Å; C6-V9 PolarHBondContact O-N 2.88Å; C6-F10 WeakPolarHBondContact O-CB 3.36Å; C6-F10 PolarHBondContact O-N 3.45Å
7	L	66.9	Low	53.8	Low	98 Å²	98	113.4 Å²	113.4	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-67.4	-39.9	174.9	-169.4	71.1	0	0	0	111.7	R3 L4 L5 F10 L11	R3-L7 VanDerWaalsContact O-CB 3.29Å; R3-L7 WeakPolarHBondContact O-CB 3.48Å; R3-L7 PolarHBondContact O-N 3.02Å; L4-L7 PolarHBondContact O-N 3.41Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.12Å; L7-F10 PolarHBondContact O-N 2.91Å; L7-L11 HydrophobicContact CD1-CD1 3.97Å; L7-L11 HydrophobicContact CG-CD1 3.91Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 VanDerWaalsContact O-CD1 3.26Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 PolarHBondContact O-N 2.99Å
8	H	56.3	Low	53.5	Low	135 Å²	135	113.6 Å²	113.6	63%	0.625	60%	0.599	S	S	*	*	H	α-helix	trans	-67.6	-40.2	172.1	-91.3	-5.5	0	0	0	112.6	L4 L5 F10 C12	L4-H8 WeakPolarHBondContact O-CB 3.21Å; L4-H8 PolarHBondContact O-N 3.1Å; L5-H8 PolarHBondContact O-N 2.85Å; H8-F10 VanDerWaalsContact C-N 3.33Å; H8-C12 WeakPolarHBondContact O-CA 3.2Å; H8-C12 WeakPolarHBondContact O-CB 3.35Å; H8-C12 PolarHBondContact O-N 2.84Å
9	V	63.9	Low	53.6	Low	84 Å²	84	110.1 Å²	110.1	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-64.3	-39.8	173.5	169.6	0	0	0	0	110.5	L5 C6 C12 C13	L5-V9 WeakPolarHBondContact O-CB 3.34Å; L5-V9 WeakPolarHBondContact O-CG2 3.36Å; L5-V9 PolarHBondContact O-N 3.13Å; C6-V9 PolarHBondContact O-N 2.88Å; V9-C12 WeakPolarHBondContact O-CB 3.23Å; V9-C12 PolarHBondContact O-N 3.46Å; V9-C13 WeakPolarHBondContact O-CB 3.44Å; V9-C13 PolarHBondContact O-N 2.83Å; V9-C13 PolarHBondContact O-SG 2.93Å
10	F	59.3	Low	54.6	Low	137 Å²	137	111.3 Å²	111.3	60%	0.601	58%	0.584	S	S	*	*	H	α-helix	trans	-70.7	-42.5	178.3	-162.5	-105.1	0	0	0	112.4	C6 L7 H8 C12 C13 L14	C6-F10 WeakPolarHBondContact O-CB 3.36Å; C6-F10 PolarHBondContact O-N 3.45Å; L7-F10 PolarHBondContact O-N 2.91Å; H8-F10 VanDerWaalsContact C-N 3.33Å; F10-C12 VanDerWaalsContact C-N 3.29Å; F10-C12 PolarHBondContact O-N 3.32Å; F10-C13 PolarHBondContact O-N 3.06Å; F10-L14 HydrophobicContact CD1-CD1 3.67Å; F10-L14 HydrophobicContact CE1-CD1 3.59Å; F10-L14 HydrophobicContact CZ-CD1 4.43Å; F10-L14 WeakPolarHBondContact O-CB 3.01Å; F10-L14 PolarHBondContact O-N 2.69Å
11	L	55.2	Low	56.1	Low	100 Å²	100	108.1 Å²	108.1	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-32.5	169.3	-93.7	90.1	0	0	0	112.2	L7 L14 S15	L7-L11 HydrophobicContact CD1-CD1 3.97Å; L7-L11 HydrophobicContact CG-CD1 3.91Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 VanDerWaalsContact O-CD1 3.26Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 PolarHBondContact O-N 2.99Å; L11-L14 CarbonylContact O-C 3.57Å; L11-L14 PolarHBondContact O-N 2.77Å; L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 3.38Å
12	C	49.1	Very low	58	Low	67 Å²	67	98.8 Å²	98.8	45%	0.453	53%	0.527	S	S	.	.	H	α-helix	trans	-67.5	-44.8	174.7	-167.5	0	0	0	0	110.3	H8 V9 F10 L14 S15 M16	H8-C12 WeakPolarHBondContact O-CA 3.2Å; H8-C12 WeakPolarHBondContact O-CB 3.35Å; H8-C12 PolarHBondContact O-N 2.84Å; V9-C12 WeakPolarHBondContact O-CB 3.23Å; V9-C12 PolarHBondContact O-N 3.46Å; F10-C12 VanDerWaalsContact C-N 3.29Å; F10-C12 PolarHBondContact O-N 3.32Å; C12-L14 VanDerWaalsContact C-N 3.34Å; C12-L14 PolarHBondContact O-N 3.35Å; C12-S15 WeakPolarHBondContact CA-OG 3.46Å; C12-S15 CarbonylContact O-C 3.58Å; C12-S15 WeakPolarHBondContact O-CA 3.49Å; C12-S15 PolarHBondContact O-N 3.41Å; C12-S15 PolarHBondContact O-OG 2.93Å; C12-M16 WeakPolarHBondContact O-CB 3.13Å; C12-M16 WeakPolarHBondContact O-CG 3.39Å; C12-M16 PolarHBondContact O-N 3.12Å
13	C	48.1	Very low	59.8	Low	80 Å²	80	97.7 Å²	97.7	54%	0.541	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-36.5	172.6	-69.4	0	0	0	0	112.7	V9 F10 M16 A17	V9-C13 WeakPolarHBondContact O-CB 3.44Å; V9-C13 PolarHBondContact O-N 2.83Å; V9-C13 PolarHBondContact O-SG 2.93Å; F10-C13 PolarHBondContact O-N 3.06Å; C13-M16 CarbonylContact O-C 3.57Å; C13-M16 PolarHBondContact O-N 3.16Å; C13-A17 PolarHBondContact O-N 3.23Å; C13-A17 VanDerWaalsContact O-N 3.09Å
14	L	46.5	Very low	61.5	Low	101 Å²	101	91.2 Å²	91.2	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-68.8	-32.2	170.5	-86.5	151.8	0	0	0	112.4	F10 L11 C12 A17	F10-L14 HydrophobicContact CD1-CD1 3.67Å; F10-L14 HydrophobicContact CE1-CD1 3.59Å; F10-L14 HydrophobicContact CZ-CD1 4.43Å; F10-L14 WeakPolarHBondContact O-CB 3.01Å; F10-L14 PolarHBondContact O-N 2.69Å; L11-L14 CarbonylContact O-C 3.57Å; L11-L14 PolarHBondContact O-N 2.77Å; C12-L14 VanDerWaalsContact C-N 3.34Å; C12-L14 PolarHBondContact O-N 3.35Å; L14-A17 WeakPolarHBondContact O-CB 3.34Å; L14-A17 PolarHBondContact O-N 3.11Å
15	S	43.8	Very low	63.2	Low	64 Å²	64	86.2 Å²	86.2	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-75.1	-24.8	169.9	67.6	0	0	0	0	113.3	L11 C12 A17 L18	L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 3.38Å; C12-S15 WeakPolarHBondContact CA-OG 3.46Å; C12-S15 CarbonylContact O-C 3.58Å; C12-S15 WeakPolarHBondContact O-CA 3.49Å; C12-S15 PolarHBondContact O-N 3.41Å; C12-S15 PolarHBondContact O-OG 2.93Å; S15-A17 PolarHBondContact O-N 2.99Å; S15-L18 WeakPolarHBondContact O-CB 3.18Å; S15-L18 VanDerWaalsContact O-CD1 3.29Å; S15-L18 WeakPolarHBondContact O-CD1 3.3Å; S15-L18 PolarHBondContact O-N 3.28Å
16	M	44.9	Very low	64.7	Low	110 Å²	110	85 Å²	85	54%	0.542	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.3	168.9	-66.1	-82	-76	0	0	112	C12 C13 L18 F20	C12-M16 WeakPolarHBondContact O-CB 3.13Å; C12-M16 WeakPolarHBondContact O-CG 3.39Å; C12-M16 PolarHBondContact O-N 3.12Å; C13-M16 CarbonylContact O-C 3.57Å; C13-M16 PolarHBondContact O-N 3.16Å; M16-L18 VanDerWaalsContact C-N 3.28Å; M16-F20 HydrophobicContact CE-CZ 4.06Å; M16-F20 WeakPolarHBondContact O-CE2 2.98Å
17	A	41.6	Very low	66.3	Low	78 Å²	78	83 Å²	83	65%	0.645	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.7	165.4	0	0	0	0	0	112.7	C13 L14 S15 S19	C13-A17 PolarHBondContact O-N 3.23Å; C13-A17 VanDerWaalsContact O-N 3.09Å; L14-A17 WeakPolarHBondContact O-CB 3.34Å; L14-A17 PolarHBondContact O-N 3.11Å; S15-A17 PolarHBondContact O-N 2.99Å; A17-S19 PolarHBondContact O-N 2.99Å
18	L	49.2	Very low	67.4	Low	118 Å²	118	81.2 Å²	81.2	62%	0.618	47%	0.466	S	S	*	.	S	Bend	trans	-75.7	112.8	168.2	-82.5	85.8	0	0	0	110.6	S15 M16 F20	S15-L18 WeakPolarHBondContact O-CB 3.18Å; S15-L18 VanDerWaalsContact O-CD1 3.29Å; S15-L18 WeakPolarHBondContact O-CD1 3.3Å; S15-L18 PolarHBondContact O-N 3.28Å; M16-L18 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 2.91Å; L18-F20 VanDerWaalsContact O-N 3.1Å
19	S	56	Low	68.8	Low	46 Å²	46	79.9 Å²	79.9	32%	0.322	46%	0.458	S	S	.	.			trans	35	66.4	147.1	64.9	0	0	0	0	115.6	A17 C21 R39	A17-S19 PolarHBondContact O-N 2.99Å; S19-C21 PolarHBondContact O-N 3.45Å; S19-R39 PolarHBondContact OG-NH1 3.43Å; S19-R39 PolarHBondContact OG-NH2 3.33Å
20	F	72.1	Confident	69.6	Low	134 Å²	134	82.1 Å²	82.1	59%	0.588	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-54.4	123.2	168.1	-85.5	-80	0	0	0	109.3	M16 L18 P56	M16-F20 HydrophobicContact CE-CZ 4.06Å; M16-F20 WeakPolarHBondContact O-CE2 2.98Å; L18-F20 PolarHBondContact O-N 2.91Å; L18-F20 VanDerWaalsContact O-N 3.1Å; F20-P56 WeakPolarHBondContact O-CG 3.36Å
21	C	87.3	Confident	70.3	Confident	46 Å²	46	77.7 Å²	77.7	31%	0.311	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-80.2	137.4	167	-159.1	0	0	0	0	108.5	S19 C25 C27	S19-C21 PolarHBondContact O-N 3.45Å; C21-C25 PolarHBondContact SG-O 2.92Å; C21-C27 VanDerWaalsContact CA-SG 3.51Å; C21-C27 HydrophobicContact CB-CB 3.77Å; C21-C27 WeakPolarHBondContact CB-SG 3.49Å; C21-C27 WeakPolarHBondContact SG-CB 3.01Å; C21-C27 PolarHBondContact SG-N 2.98Å; C21-C27 CovalentContact SG-SG 2.03Å; C21-C27 PolarHBondContact SG-SG 3.31Å
22	P	91.1	Very high	70.9	Confident	20 Å²	20	79.6 Å²	79.6	13%	0.13	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-58.9	140.7	170.4	-18.6	30.1	0	0	0	109.9	Q24 C25 P52 V53 V55	P22-Q24 PolarHBondContact O-N 2.8Å; P22-Q24 VanDerWaalsContact O-N 3.1Å; P22-C25 HydrophobicContact CB-CB 4.21Å; P22-C25 HydrophobicContact CG-CB 4.4Å; P22-C25 WeakPolarHBondContact O-CB 3.32Å; P22-C25 PolarHBondContact O-N 2.94Å; P22-P52 HydrophobicContact CB-CB 4.16Å; P22-P52 HydrophobicContact CG-CB 4.11Å; P22-V53 WeakPolarHBondContact CG-O 3.44Å; P22-V55 HydrophobicContact CG-CG2 4Å
23	S	89.3	Confident	71.3	Confident	126 Å²	126	83.7 Å²	83.7	88%	0.881	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.2	-171.1	54.1	0	0	0	0	114.9	C25	S23-C25 VanDerWaalsContact C-N 3.32Å
24	Q	91.5	Very high	71.9	Confident	69 Å²	69	86.2 Å²	86.2	32%	0.322	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	11.4	176.6	-55.7	-167.2	-75.8	0	0	112.6	P22 D45 M48	P22-Q24 PolarHBondContact O-N 2.8Å; P22-Q24 VanDerWaalsContact O-N 3.1Å; Q24-D45 HydrophobicContact CB-CB 3.86Å; Q24-D45 HydrophobicContact CG-CB 4.44Å; Q24-D45 VanDerWaalsContact CG-OD2 3.24Å; Q24-D45 WeakPolarHBondContact CG-OD2 3.31Å; Q24-D45 PolarHBondContact NE2-OD2 3.13Å; Q24-M48 HydrophobicContact CB-SD 4.01Å
25	C	94.2	Very high	72.5	Confident	15 Å²	15	84.6 Å²	84.6	10%	0.101	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.6	-174.3	-55.1	0	0	0	0	111.9	C21 P22 S23 V41 L42 C43	C21-C25 PolarHBondContact SG-O 2.92Å; P22-C25 HydrophobicContact CB-CB 4.21Å; P22-C25 HydrophobicContact CG-CB 4.4Å; P22-C25 WeakPolarHBondContact O-CB 3.32Å; P22-C25 PolarHBondContact O-N 2.94Å; S23-C25 VanDerWaalsContact C-N 3.32Å; C25-V41 HydrophobicContact CB-CG1 3.94Å; C25-L42 CarbonylContact C-O 3.54Å; C25-L42 VanDerWaalsContact CA-O 3.27Å; C25-L42 WeakPolarHBondContact CA-O 3.22Å; C25-C43 HydrophobicContact CB-CB 4.03Å; C25-C43 WeakPolarHBondContact CB-SG 3.45Å; C25-C43 WeakPolarHBondContact SG-CB 3.35Å; C25-C43 CovalentContact SG-SG 2.03Å; C25-C43 PolarHBondContact SG-SG 3.28Å
26	T	93.4	Very high	73.5	Confident	82 Å²	82	86.1 Å²	86.1	50%	0.503	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.8	169.7	-60.7	0	0	0	0	109.4	V28 V41 L42	T26-V28 HydrophobicContact CG2-CG2 4.1Å; T26-V41 WeakPolarHBondContact O-CA 3.34Å; T26-L42 PolarHBondContact N-O 3.16Å; T26-L42 PolarHBondContact O-N 3.36Å
27	C	92.6	Very high	74.9	Confident	33 Å²	33	82.4 Å²	82.4	22%	0.223	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.3	-179.7	-61.5	0	0	0	0	110.3	C21 V41	C21-C27 VanDerWaalsContact CA-SG 3.51Å; C21-C27 HydrophobicContact CB-CB 3.77Å; C21-C27 WeakPolarHBondContact CB-SG 3.49Å; C21-C27 WeakPolarHBondContact SG-CB 3.01Å; C21-C27 PolarHBondContact SG-N 2.98Å; C21-C27 CovalentContact SG-SG 2.03Å; C21-C27 PolarHBondContact SG-SG 3.31Å; C27-V41 HydrophobicContact CB-CG2 4.2Å
28	V	89.3	Confident	77	Confident	60 Å²	60	81.4 Å²	81.4	36%	0.364	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.1	-179.1	-174.9	0	0	0	0	109.5	T26 R39 S40	T26-V28 HydrophobicContact CG2-CG2 4.1Å; V28-R39 WeakPolarHBondContact O-CA 3.03Å; V28-S40 PolarHBondContact N-O 3.04Å; V28-S40 PolarHBondContact O-N 3.23Å; V28-S40 PolarHBondContact O-OG 2.04Å
29	F	87	Confident	78.9	Confident	107 Å²	107	77.3 Å²	77.3	47%	0.469	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.5	176.7	-174.4	-97.2	0	0	0	110.5	G31 R39	F29-G31 PolarHBondContact O-N 3.09Å; F29-R39 HydrophobicContact CD2-CB 4.26Å
30	H	80.6	Confident	80.7	Confident	132 Å²	132	75.9 Å²	75.9	61%	0.611	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	83	179.5	-59.6	-87.4	0	0	0	109.3	G37 T38 S40	H30-G37 CarbonylContact O-C 3.53Å; H30-G37 WeakPolarHBondContact O-CA 3.18Å; H30-T38 PolarHBondContact N-O 3.26Å; H30-T38 PolarHBondContact O-N 2.93Å; H30-S40 PolarHBondContact CD2-OG 2.91Å; H30-S40 VanDerWaalsContact NE2-CB 3.3Å; H30-S40 WeakPolarHBondContact NE2-CB 3.31Å; H30-S40 PolarHBondContact NE2-OG 3.11Å
31	G	73.8	Confident	81.8	Confident	44 Å²	44	69.6 Å²	69.6	45%	0.454	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.7	179.1	0	0	0	0	0	113.7	F29 T36	F29-G31 PolarHBondContact O-N 3.09Å; G31-T36 WeakPolarHBondContact CA-O 3.45Å
32	R	66.8	Low	82.2	Confident	140 Å²	140	70 Å²	70	53%	0.528	42%	0.415	S	S	.	.			trans	-75.5	159.3	158.2	-79	-168	-177.2	151.9	9.3	109.9	D34 G35 T36 D568	R32-D34 PolarHBondContact O-N 2.86Å; R32-D34 VanDerWaalsContact O-N 3.09Å; R32-G35 PolarHBondContact O-N 3.25Å; R32-G35 VanDerWaalsContact O-N 3.08Å; R32-T36 PolarHBondContact N-O 2.8Å; R32-D568 IonicContact CZ-OD2 4Å; R32-D568 IonicContact NH1-OD2 3.27Å; R32-D568 PolarHBondContact NH1-OD2 2.8Å; R32-D568 IonicContact NH2-OD2 2.72Å; R32-D568 PolarHBondContact NH2-OD2 2.78Å
33	V	59	Low	82.4	Confident	153 Å²	153	69 Å²	69	93%	0.927	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.3	177.2	-174.6	0	0	0	0	112.1	G35	V33-G35 PolarHBondContact O-N 2.82Å
34	D	59.9	Low	82.7	Confident	132 Å²	132	66.7 Å²	66.7	71%	0.706	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-5	178	-48.3	-61.1	0	0	0	114.3	R32 T36	R32-D34 PolarHBondContact O-N 2.86Å; R32-D34 VanDerWaalsContact O-N 3.09Å; D34-T36 VanDerWaalsContact C-N 3.34Å
35	G	58.8	Low	82.8	Confident	67 Å²	67	65.5 Å²	65.5	69%	0.691	38%	0.382	S	S	*	.	S	Bend	trans	86.6	-2.9	-180	0	0	0	0	0	114.8	R32 V33	R32-G35 PolarHBondContact O-N 3.25Å; R32-G35 VanDerWaalsContact O-N 3.08Å; V33-G35 PolarHBondContact O-N 2.82Å
36	T	66.1	Low	82.7	Confident	97 Å²	97	69.1 Å²	69.1	60%	0.595	41%	0.406	S	S	*	.			trans	-80.8	125.8	166.8	45.7	0	0	0	0	109.9	G31 R32 D34	G31-T36 WeakPolarHBondContact CA-O 3.45Å; R32-T36 PolarHBondContact N-O 2.8Å; D34-T36 VanDerWaalsContact C-N 3.34Å
37	G	72.6	Confident	82.6	Confident	32 Å²	32	71.9 Å²	71.9	33%	0.33	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	158	179.7	0	0	0	0	0	113.7	H30	H30-G37 CarbonylContact O-C 3.53Å; H30-G37 WeakPolarHBondContact O-CA 3.18Å
38	T	86.1	Confident	82.6	Confident	57 Å²	57	70.3 Å²	70.3	35%	0.35	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136	-178.5	59.2	0	0	0	0	110.4	H30 V60	H30-T38 PolarHBondContact N-O 3.26Å; H30-T38 PolarHBondContact O-N 2.93Å; T38-V60 HydrophobicContact CG2-CB 4.43Å; T38-V60 HydrophobicContact CG2-CG1 4.48Å; T38-V60 HydrophobicContact CG2-CG2 4Å
39	R	90.1	Very high	82.8	Confident	32 Å²	32	70.5 Å²	70.5	12%	0.121	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130	172.6	-166.9	-176.8	-55.3	-84.3	-10.1	110.4	S19 V28 F29 V41 D58 V60 K61	S19-R39 PolarHBondContact OG-NH1 3.43Å; S19-R39 PolarHBondContact OG-NH2 3.33Å; V28-R39 WeakPolarHBondContact O-CA 3.03Å; F29-R39 HydrophobicContact CD2-CB 4.26Å; R39-V41 HydrophobicContact CG-CG2 4.22Å; R39-D58 IonicContact CZ-OD1 2.75Å; R39-D58 IonicContact CZ-OD2 3.58Å; R39-D58 VanDerWaalsContact CZ-OD2 3.27Å; R39-D58 IonicContact NE-OD1 3.63Å; R39-D58 PolarHBondContact NE-OD1 3.04Å; R39-D58 IonicContact NE-OD2 2.8Å; R39-D58 PolarHBondContact NE-OD2 3.18Å; R39-D58 IonicContact NH2-OD1 2.7Å; R39-D58 IonicContact NH2-OD2 3.55Å; R39-D58 PolarHBondContact NH2-OD2 3.32Å; R39-V60 PolarHBondContact O-N 2.67Å; R39-K61 PolarHBondContact O-N 2.02Å
40	S	93.3	Very high	83.1	Confident	16 Å²	16	69.8 Å²	69.8	11%	0.112	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.9	162.8	64.8	0	0	0	0	110	V28 H30 K61	V28-S40 PolarHBondContact N-O 3.04Å; V28-S40 PolarHBondContact O-N 3.23Å; V28-S40 PolarHBondContact O-OG 2.04Å; H30-S40 PolarHBondContact CD2-OG 2.91Å; H30-S40 VanDerWaalsContact NE2-CB 3.3Å; H30-S40 WeakPolarHBondContact NE2-CB 3.31Å; H30-S40 PolarHBondContact NE2-OG 3.11Å; S40-K61 CarbonylContact C-O 3.51Å; S40-K61 VanDerWaalsContact CA-O 3.28Å; S40-K61 WeakPolarHBondContact CA-O 3.36Å
41	V	95.3	Very high	83.8	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.3	176.8	-179.3	0	0	0	0	108.4	C25 T26 C27 R39 V55 T59 K61 L62 R63	C25-V41 HydrophobicContact CB-CG1 3.94Å; T26-V41 WeakPolarHBondContact O-CA 3.34Å; C27-V41 HydrophobicContact CB-CG2 4.2Å; R39-V41 HydrophobicContact CG-CG2 4.22Å; V41-V55 HydrophobicContact CG2-CG1 4.29Å; V41-T59 HydrophobicContact CB-CG2 4.07Å; V41-T59 HydrophobicContact CG2-CG2 3.69Å; V41-T59 WeakPolarHBondContact CG2-OG1 3.37Å; V41-K61 PolarHBondContact N-O 2.82Å; V41-L62 HydrophobicContact CB-CD1 3.87Å; V41-L62 HydrophobicContact CG1-CD1 3.84Å; V41-R63 PolarHBondContact O-N 3.24Å
42	L	95.8	Very high	84.6	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.283	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120	178	168.7	61.9	0	0	0	108.8	C25 T26 N44 R63 E65	C25-L42 CarbonylContact C-O 3.54Å; C25-L42 VanDerWaalsContact CA-O 3.27Å; C25-L42 WeakPolarHBondContact CA-O 3.22Å; T26-L42 PolarHBondContact N-O 3.16Å; T26-L42 PolarHBondContact O-N 3.36Å; L42-N44 HydrophobicContact CD1-CB 4.18Å; L42-N44 HydrophobicContact CG-CB 4.48Å; L42-R63 CarbonylContact C-O 3.51Å; L42-R63 WeakPolarHBondContact CA-O 3.45Å; L42-R63 HydrophobicContact CD1-CB 3.86Å; L42-E65 HydrophobicContact CD1-CG 3.68Å
43	C	96.1	Very high	85.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.9	173.5	-46.4	0	0	0	0	107.9	C25 M48 R63 V64 E65	C25-C43 HydrophobicContact CB-CB 4.03Å; C25-C43 WeakPolarHBondContact CB-SG 3.45Å; C25-C43 WeakPolarHBondContact SG-CB 3.35Å; C25-C43 CovalentContact SG-SG 2.03Å; C25-C43 PolarHBondContact SG-SG 3.28Å; C43-M48 HydrophobicContact CB-CE 3.96Å; C43-M48 HydrophobicContact CB-SD 3.77Å; C43-R63 PolarHBondContact N-O 2.95Å; C43-V64 HydrophobicContact CB-CG2 4.3Å; C43-V64 CarbonylContact O-C 3.49Å; C43-V64 WeakPolarHBondContact O-CA 3.41Å; C43-E65 PolarHBondContact O-N 2.96Å
44	N	94.8	Very high	87.1	Confident	77 Å²	77	60.7 Å²	60.7	41%	0.412	37%	0.367	S	S	.	.			trans	-145.2	26.1	-173.3	64.6	-25.8	0	0	0	112.3	L42 E65	L42-N44 HydrophobicContact CD1-CB 4.18Å; L42-N44 HydrophobicContact CG-CB 4.48Å; N44-E65 VanDerWaalsContact CA-O 3.32Å; N44-E65 WeakPolarHBondContact CA-O 3.4Å; N44-E65 HydrophobicContact CB-CG 4.16Å; N44-E65 WeakPolarHBondContact CB-O 3.36Å
45	D	93.5	Very high	88.6	Confident	44 Å²	44	55.1 Å²	55.1	24%	0.235	34%	0.337	C	S	.	.			trans	-74.2	122.9	172	-178.1	-15.2	0	0	0	109.5	Q24 D47 M48 T67	Q24-D45 HydrophobicContact CB-CB 3.86Å; Q24-D45 HydrophobicContact CG-CB 4.44Å; Q24-D45 VanDerWaalsContact CG-OD2 3.24Å; Q24-D45 WeakPolarHBondContact CG-OD2 3.31Å; Q24-D45 PolarHBondContact NE2-OD2 3.13Å; D45-D47 VanDerWaalsContact C-N 3.26Å; D45-D47 PolarHBondContact O-N 3.23Å; D45-D47 PolarHBondContact OD1-N 2.96Å; D45-M48 HydrophobicContact CB-CB 4.17Å; D45-M48 VanDerWaalsContact O-CB 3.22Å; D45-M48 WeakPolarHBondContact O-CB 3.23Å; D45-M48 PolarHBondContact O-N 2.82Å; D45-T67 WeakPolarHBondContact O-CG2 3.33Å
46	P	91.8	Very high	90.2	Very high	92 Å²	92	52.3 Å²	52.3	60%	0.597	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.2	-179.4	28.7	-35.9	0	0	0	113.5	M48	P46-M48 PolarHBondContact O-N 3Å
47	D	91.5	Very high	91.4	Very high	139 Å²	139	52 Å²	52	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.4	179.9	-69.3	-30.4	0	0	0	112.5	D45 S49	D45-D47 VanDerWaalsContact C-N 3.26Å; D45-D47 PolarHBondContact O-N 3.23Å; D45-D47 PolarHBondContact OD1-N 2.96Å; D47-S49 PolarHBondContact O-N 3.34Å
48	M	93.6	Very high	92.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.304	C	S	.	.			trans	-77.6	106.8	-178.8	-175.6	174.5	174.4	0	0	112.2	Q24 C43 D45 P46 D50 P52 V64 T67 A68 V69	Q24-M48 HydrophobicContact CB-SD 4.01Å; C43-M48 HydrophobicContact CB-CE 3.96Å; C43-M48 HydrophobicContact CB-SD 3.77Å; D45-M48 HydrophobicContact CB-CB 4.17Å; D45-M48 VanDerWaalsContact O-CB 3.22Å; D45-M48 WeakPolarHBondContact O-CB 3.23Å; D45-M48 PolarHBondContact O-N 2.82Å; P46-M48 PolarHBondContact O-N 3Å; M48-D50 WeakPolarHBondContact CE-O 3.42Å; M48-P52 HydrophobicContact CE-CB 3.57Å; M48-P52 HydrophobicContact CE-CG 3.64Å; M48-V64 HydrophobicContact CE-CG1 4.43Å; M48-T67 HydrophobicContact CB-CG2 4.27Å; M48-T67 HydrophobicContact SD-CG2 4.1Å; M48-A68 CarbonylContact O-C 3.59Å; M48-A68 WeakPolarHBondContact O-CA 3.44Å; M48-A68 WeakPolarHBondContact O-CB 3.4Å; M48-A68 PolarHBondContact O-N 2.88Å; M48-V69 HydrophobicContact CG-CG2 4.48Å; M48-V69 PolarHBondContact O-N 3.49Å
49	S	93.1	Very high	92.5	Very high	63 Å²	63	50.5 Å²	50.5	44%	0.441	29%	0.287	S	S	.	.			trans	-90.6	-14.4	-177	57.4	0	0	0	0	115.7	D47 V69	D47-S49 PolarHBondContact O-N 3.34Å; S49-V69 WeakPolarHBondContact O-CA 3.36Å
50	D	93.3	Very high	92.7	Very high	93 Å²	93	49.8 Å²	49.8	50%	0.497	29%	0.286	S	S	.	.	S	Bend	trans	-141.6	157.9	-168.3	-67	-87.1	0	0	0	111.7	M48	M48-D50 WeakPolarHBondContact CE-O 3.42Å
51	I	94.4	Very high	92.8	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.097	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-61.8	137.4	178.4	-63.2	-63.4	0	0	0	109.9	V53 V69 I72 A76 F77 I88	I51-V53 PolarHBondContact O-N 3.42Å; I51-V69 HydrophobicContact CD1-CG1 3.76Å; I51-V69 HydrophobicContact CG1-CG1 4.22Å; I51-I72 HydrophobicContact CD1-CG1 4.4Å; I51-I72 HydrophobicContact CG1-CG2 4.42Å; I51-A76 HydrophobicContact CG2-CB 4.23Å; I51-F77 HydrophobicContact CD1-CZ 4.17Å; I51-F77 HydrophobicContact CG2-CD1 4.48Å; I51-F77 HydrophobicContact CG2-CE1 3.6Å; I51-F77 HydrophobicContact CG2-CZ 3.9Å; I51-I88 HydrophobicContact CD1-CD1 4.44Å
52	P	92	Very high	92.9	Very high	17 Å²	17	50.5 Å²	50.5	11%	0.11	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-72.4	123.3	-170	27.5	-30.4	0	0	0	111.4	P22 M48 V55 V64	P22-P52 HydrophobicContact CB-CB 4.16Å; P22-P52 HydrophobicContact CG-CB 4.11Å; M48-P52 HydrophobicContact CE-CB 3.57Å; M48-P52 HydrophobicContact CE-CG 3.64Å; P52-V55 HydrophobicContact CB-CG2 4.02Å; P52-V55 HydrophobicContact CG-CG2 3.72Å; P52-V55 WeakPolarHBondContact O-CG2 3.3Å; P52-V64 HydrophobicContact CG-CG2 4.44Å
53	V	89.1	Confident	92.9	Very high	109 Å²	109	51.6 Å²	51.6	66%	0.661	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	156.2	169.3	-64	0	0	0	0	111.1	P22 I51 V55	P22-V53 WeakPolarHBondContact CG-O 3.44Å; I51-V53 PolarHBondContact O-N 3.42Å; V53-V55 VanDerWaalsContact C-N 3.31Å; V53-V55 PolarHBondContact O-N 2.91Å
54	N	88.1	Confident	92.9	Very high	132 Å²	132	51.6 Å²	51.6	71%	0.706	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	27.6	177.2	-50.7	-41.9	0	0	0	115.5
55	V	92.5	Very high	93	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.091	28%	0.275	C	S	.	.			trans	-58.1	132.9	166.3	174.5	0	0	0	0	109.6	P22 V41 P52 V53 V57 T59 L62 L80	P22-V55 HydrophobicContact CG-CG2 4Å; V41-V55 HydrophobicContact CG2-CG1 4.29Å; P52-V55 HydrophobicContact CB-CG2 4.02Å; P52-V55 HydrophobicContact CG-CG2 3.72Å; P52-V55 WeakPolarHBondContact O-CG2 3.3Å; V53-V55 VanDerWaalsContact C-N 3.31Å; V53-V55 PolarHBondContact O-N 2.91Å; V55-V57 PolarHBondContact O-N 2.83Å; V55-T59 HydrophobicContact CG1-CG2 4.21Å; V55-L62 HydrophobicContact CG1-CD1 4.44Å; V55-L62 HydrophobicContact CG2-CD1 4.41Å; V55-L80 HydrophobicContact CB-CD1 4.37Å; V55-L80 HydrophobicContact CB-CD2 4.1Å; V55-L80 HydrophobicContact CG1-CD1 4.01Å; V55-L80 HydrophobicContact CG1-CD2 3.8Å
56	P	91.3	Very high	92.9	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.058	29%	0.292	C	S	.	.			trans	-58.3	135.7	-179.7	-27.3	35.3	0	0	0	113.5	F20 D58 T59	F20-P56 WeakPolarHBondContact O-CG 3.36Å; P56-D58 WeakPolarHBondContact CB-OD1 3.4Å; P56-D58 PolarHBondContact O-N 2.89Å; P56-T59 WeakPolarHBondContact O-CB 3.24Å; P56-T59 PolarHBondContact O-N 2.99Å; P56-T59 PolarHBondContact O-OG1 3.42Å
57	V	90.6	Very high	93	Very high	90 Å²	90	49.9 Å²	49.9	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.7	-173.8	-60.5	0	0	0	0	114.8	V55 T59	V55-V57 PolarHBondContact O-N 2.83Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 2.9Å
58	D	89.9	Confident	93.2	Very high	57 Å²	57	44.9 Å²	44.9	31%	0.305	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	11.3	173	66.9	-34.7	0	0	0	113.3	R39 P56 V60	R39-D58 IonicContact CZ-OD1 2.75Å; R39-D58 IonicContact CZ-OD2 3.58Å; R39-D58 VanDerWaalsContact CZ-OD2 3.27Å; R39-D58 IonicContact NE-OD1 3.63Å; R39-D58 PolarHBondContact NE-OD1 3.04Å; R39-D58 IonicContact NE-OD2 2.8Å; R39-D58 PolarHBondContact NE-OD2 3.18Å; R39-D58 IonicContact NH2-OD1 2.7Å; R39-D58 IonicContact NH2-OD2 3.55Å; R39-D58 PolarHBondContact NH2-OD2 3.32Å; P56-D58 WeakPolarHBondContact CB-OD1 3.4Å; P56-D58 PolarHBondContact O-N 2.89Å; D58-V60 PolarHBondContact O-N 2.8Å
59	T	92.8	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	114.1	177.4	-60.6	0	0	0	0	111.7	V41 V55 P56 V57 L62 L83	V41-T59 HydrophobicContact CB-CG2 4.07Å; V41-T59 HydrophobicContact CG2-CG2 3.69Å; V41-T59 WeakPolarHBondContact CG2-OG1 3.37Å; V55-T59 HydrophobicContact CG1-CG2 4.21Å; P56-T59 WeakPolarHBondContact O-CB 3.24Å; P56-T59 PolarHBondContact O-N 2.99Å; P56-T59 PolarHBondContact O-OG1 3.42Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 2.9Å; T59-L62 HydrophobicContact CG2-CB 4.17Å; T59-L83 HydrophobicContact CG2-CD1 4.23Å; T59-L83 WeakPolarHBondContact O-CA 3.36Å
60	V	94.2	Very high	93.4	Very high	17 Å²	17	50 Å²	50	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-27	177.8	-179.9	0	0	0	0	111.8	T38 R39 D58 R84 Y85	T38-V60 HydrophobicContact CG2-CB 4.43Å; T38-V60 HydrophobicContact CG2-CG1 4.48Å; T38-V60 HydrophobicContact CG2-CG2 4Å; R39-V60 PolarHBondContact O-N 2.67Å; D58-V60 PolarHBondContact O-N 2.8Å; V60-R84 HydrophobicContact CG1-CB 4.02Å; V60-R84 HydrophobicContact CG1-CG 4.07Å; V60-R84 PolarHBondContact O-N 2.9Å; V60-Y85 PolarHBondContact O-N 3.43Å
61	K	95.8	Very high	93.5	Very high	32 Å²	32	51.2 Å²	51.2	14%	0.139	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	112.7	178.7	-178.2	155.4	-166	170.7	0	111.1	R39 S40 V41 R63 Y85	R39-K61 PolarHBondContact O-N 2.02Å; S40-K61 CarbonylContact C-O 3.51Å; S40-K61 VanDerWaalsContact CA-O 3.28Å; S40-K61 WeakPolarHBondContact CA-O 3.36Å; V41-K61 PolarHBondContact N-O 2.82Å; K61-R63 HydrophobicContact CG-CG 4.44Å; K61-Y85 WeakPolarHBondContact CA-O 3.47Å; K61-Y85 HydrophobicContact CB-CD2 4.3Å; K61-Y85 HydrophobicContact CD-CD2 4.25Å; K61-Y85 HydrophobicContact CD-CG 4.13Å; K61-Y85 HydrophobicContact CG-CG 4.42Å
62	L	96.6	Very high	93.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.6	174	178.5	59.5	0	0	0	109.2	V41 V55 T59 V64 F77 L80 L83 Y85 L86 W87	V41-L62 HydrophobicContact CB-CD1 3.87Å; V41-L62 HydrophobicContact CG1-CD1 3.84Å; V55-L62 HydrophobicContact CG1-CD1 4.44Å; V55-L62 HydrophobicContact CG2-CD1 4.41Å; T59-L62 HydrophobicContact CG2-CB 4.17Å; L62-V64 HydrophobicContact CD1-CG2 4.33Å; L62-V64 HydrophobicContact CG-CG2 4.32Å; L62-F77 HydrophobicContact CD2-CD1 3.99Å; L62-F77 HydrophobicContact CD2-CE1 3.88Å; L62-L80 HydrophobicContact CD2-CD1 3.91Å; L62-L83 HydrophobicContact CB-CD1 3.77Å; L62-Y85 PolarHBondContact N-O 2.95Å; L62-L86 HydrophobicContact CB-CD1 4.13Å; L62-L86 HydrophobicContact CD2-CD1 3.97Å; L62-L86 HydrophobicContact CG-CD1 4.14Å; L62-W87 PolarHBondContact O-N 3.3Å
63	R	96.8	Very high	93.8	Very high	76 Å²	76	51.7 Å²	51.7	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.4	171.4	-48.5	-175.9	-162.4	-160.2	4.9	109.1	V41 L42 C43 K61 W87	V41-R63 PolarHBondContact O-N 3.24Å; L42-R63 CarbonylContact C-O 3.51Å; L42-R63 WeakPolarHBondContact CA-O 3.45Å; L42-R63 HydrophobicContact CD1-CB 3.86Å; C43-R63 PolarHBondContact N-O 2.95Å; K61-R63 HydrophobicContact CG-CG 4.44Å; R63-W87 CarbonylContact C-O 3.56Å; R63-W87 WeakPolarHBondContact CA-O 3.34Å; R63-W87 HydrophobicContact CG-CB 4.42Å; R63-W87 HydrophobicContact CG-CD2 4.41Å; R63-W87 HydrophobicContact CG-CE3 3.85Å
64	V	96.4	Very high	94.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	99.8	169.6	-178.1	0	0	0	0	105.9	C43 M48 P52 L62 T67 V69 W87 I88 T89 N91	C43-V64 HydrophobicContact CB-CG2 4.3Å; C43-V64 CarbonylContact O-C 3.49Å; C43-V64 WeakPolarHBondContact O-CA 3.41Å; M48-V64 HydrophobicContact CE-CG1 4.43Å; P52-V64 HydrophobicContact CG-CG2 4.44Å; L62-V64 HydrophobicContact CD1-CG2 4.33Å; L62-V64 HydrophobicContact CG-CG2 4.32Å; V64-T67 HydrophobicContact CG1-CG2 3.95Å; V64-V69 HydrophobicContact CG1-CG2 4.24Å; V64-W87 PolarHBondContact N-O 2.88Å; V64-I88 HydrophobicContact CB-CG2 4.3Å; V64-I88 CarbonylContact O-C 3.44Å; V64-I88 VanDerWaalsContact O-CA 3.25Å; V64-I88 WeakPolarHBondContact O-CA 3.37Å; V64-T89 PolarHBondContact O-N 3Å; V64-N91 PolarHBondContact O-ND2 2.89Å
65	E	95.2	Very high	94.2	Very high	31 Å²	31	48.9 Å²	48.9	15%	0.145	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.2	-170.5	58.6	172.2	-94.9	0	0	112.6	L42 C43 N44 T67 T89	L42-E65 HydrophobicContact CD1-CG 3.68Å; C43-E65 PolarHBondContact O-N 2.96Å; N44-E65 VanDerWaalsContact CA-O 3.32Å; N44-E65 WeakPolarHBondContact CA-O 3.4Å; N44-E65 HydrophobicContact CB-CG 4.16Å; N44-E65 WeakPolarHBondContact CB-O 3.36Å; E65-T67 VanDerWaalsContact C-N 3.27Å; E65-T67 PolarHBondContact O-N 2.83Å; E65-T89 VanDerWaalsContact CA-O 3.3Å; E65-T89 WeakPolarHBondContact CA-O 3.33Å
66	K	92.1	Very high	94.3	Very high	139 Å²	139	49.4 Å²	49.4	60%	0.604	24%	0.243	S	C	*	.	S	Bend	trans	62.3	28.6	176.2	-52.2	161.7	-173.5	132.3	0	114.4	T89 Y90 N91	K66-T89 PolarHBondContact N-O 2.81Å; K66-Y90 WeakPolarHBondContact CA-O 3.17Å; K66-Y90 PolarHBondContact N-O 2.97Å; K66-N91 PolarHBondContact N-OD1 2.85Å
67	T	94.8	Very high	94.5	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.043	24%	0.24	C	C	.	.	S	Bend	trans	-99.2	167.8	179.1	71.7	0	0	0	0	112.1	D45 M48 V64 E65 V69 N91	D45-T67 WeakPolarHBondContact O-CG2 3.33Å; M48-T67 HydrophobicContact CB-CG2 4.27Å; M48-T67 HydrophobicContact SD-CG2 4.1Å; V64-T67 HydrophobicContact CG1-CG2 3.95Å; E65-T67 VanDerWaalsContact C-N 3.27Å; E65-T67 PolarHBondContact O-N 2.83Å; T67-V69 PolarHBondContact O-N 3.49Å; T67-V69 WeakPolarHBondContact OG1-CG2 3.2Å; T67-V69 PolarHBondContact OG1-N 3.33Å; T67-N91 WeakPolarHBondContact CA-OD1 3.05Å; T67-N91 WeakPolarHBondContact CB-OD1 3.47Å; T67-N91 PolarHBondContact N-OD1 2.94Å; T67-N91 PolarHBondContact O-OD1 2.63Å; T67-N91 PolarHBondContact OG1-OD1 3.27Å
68	A	94.9	Very high	94.6	Very high	34 Å²	34	48.8 Å²	48.8	28%	0.281	23%	0.23	S	C	.	.			trans	-80.2	8.2	176.6	0	0	0	0	0	114.5	M48 R70	M48-A68 CarbonylContact O-C 3.59Å; M48-A68 WeakPolarHBondContact O-CA 3.44Å; M48-A68 WeakPolarHBondContact O-CB 3.4Å; M48-A68 PolarHBondContact O-N 2.88Å; A68-R70 VanDerWaalsContact O-CG 3.26Å; A68-R70 WeakPolarHBondContact O-CG 3.41Å; A68-R70 PolarHBondContact O-N 3.23Å
69	V	95.9	Very high	94.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.247	C	C	.	.			trans	-55.7	126.3	-174.9	174.3	0	0	0	0	112.6	M48 S49 I51 V64 T67 N91 S92 V93	M48-V69 HydrophobicContact CG-CG2 4.48Å; M48-V69 PolarHBondContact O-N 3.49Å; S49-V69 WeakPolarHBondContact O-CA 3.36Å; I51-V69 HydrophobicContact CD1-CG1 3.76Å; I51-V69 HydrophobicContact CG1-CG1 4.22Å; V64-V69 HydrophobicContact CG1-CG2 4.24Å; T67-V69 PolarHBondContact O-N 3.49Å; T67-V69 WeakPolarHBondContact OG1-CG2 3.2Å; T67-V69 PolarHBondContact OG1-N 3.33Å; V69-N91 HydrophobicContact CB-CB 4.44Å; V69-S92 CarbonylContact O-C 3.56Å; V69-S92 VanDerWaalsContact O-CA 3.27Å; V69-S92 WeakPolarHBondContact O-CA 3.48Å; V69-S92 PolarHBondContact O-N 3.21Å; V69-V93 HydrophobicContact CG1-CG2 4.08Å; V69-V93 PolarHBondContact O-N 2.98Å; V69-V93 VanDerWaalsContact O-N 3.16Å
70	R	95	Very high	94.7	Very high	173 Å²	173	54.4 Å²	54.4	65%	0.653	25%	0.249	S	C	*	.			trans	-109.2	-23.2	-174.3	-56	-168.2	-178.6	-162.5	-1.1	115.8	A68 S92 V93 T94	A68-R70 VanDerWaalsContact O-CG 3.26Å; A68-R70 WeakPolarHBondContact O-CG 3.41Å; A68-R70 PolarHBondContact O-N 3.23Å; R70-S92 WeakPolarHBondContact CA-O 3.3Å; R70-V93 WeakPolarHBondContact O-CA 3.39Å; R70-T94 PolarHBondContact O-N 3.17Å; R70-T94 PolarHBondContact O-OG1 3.33Å
71	R	95.8	Very high	94.5	Very high	117 Å²	117	57 Å²	57	44%	0.442	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.3	180	68.3	179.3	-64.5	-177.7	2	110.9	S95 D97	R71-S95 WeakPolarHBondContact CA-O 3.43Å; R71-D97 IonicContact CZ-OD2 3.15Å; R71-D97 IonicContact NE-OD2 3.51Å; R71-D97 IonicContact NH2-OD1 2.71Å; R71-D97 IonicContact NH2-OD2 2.99Å; R71-D97 PolarHBondContact NH2-OD2 3.15Å
72	I	96.8	Very high	94.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.1	163.5	-49.3	-179.7	0	0	0	106.7	I51 A76 F77 I88 V93 S95 V96 D97 S100 F101 L112	I51-I72 HydrophobicContact CD1-CG1 4.4Å; I51-I72 HydrophobicContact CG1-CG2 4.42Å; I72-A76 HydrophobicContact CG2-CB 3.82Å; I72-F77 HydrophobicContact CG2-CE2 3.59Å; I72-F77 HydrophobicContact CG2-CZ 4.01Å; I72-I88 HydrophobicContact CD1-CD1 3.59Å; I72-I88 HydrophobicContact CG1-CD1 4.42Å; I72-V93 HydrophobicContact CD1-CG1 4.47Å; I72-V93 HydrophobicContact CG1-CG1 4.09Å; I72-V93 HydrophobicContact CG1-CG2 4.44Å; I72-S95 PolarHBondContact N-O 2.82Å; I72-V96 HydrophobicContact CB-CG1 4.17Å; I72-V96 HydrophobicContact CB-CG2 4.47Å; I72-V96 HydrophobicContact CD1-CG1 4.23Å; I72-V96 HydrophobicContact CD1-CG2 3.93Å; I72-V96 HydrophobicContact CG1-CG2 4.21Å; I72-D97 PolarHBondContact O-N 3.04Å; I72-D97 VanDerWaalsContact O-N 3.07Å; I72-S100 WeakPolarHBondContact CG2-OG 3.01Å; I72-S100 PolarHBondContact O-OG 2.92Å; I72-F101 HydrophobicContact CD1-CE1 4.46Å; I72-F101 HydrophobicContact CD1-CZ 4.11Å; I72-L112 HydrophobicContact CD1-CD2 3.94Å
73	P	95.8	Very high	94.3	Very high	47 Å²	47	59.4 Å²	59.4	31%	0.305	28%	0.276	S	S	.	.			trans	-75.9	165.7	179.8	29.9	-32.9	0	0	0	112.2	A76 D97 S100	P73-A76 HydrophobicContact CG-CB 4.04Å; P73-A76 VanDerWaalsContact O-CB 3.29Å; P73-A76 WeakPolarHBondContact O-CB 3.09Å; P73-A76 PolarHBondContact O-N 3.03Å; P73-D97 VanDerWaalsContact CA-OD2 3.31Å; P73-D97 WeakPolarHBondContact CA-OD2 3.43Å; P73-S100 VanDerWaalsContact C-OG 3.32Å; P73-S100 VanDerWaalsContact O-CA 3.31Å; P73-S100 WeakPolarHBondContact O-CA 3.2Å; P73-S100 WeakPolarHBondContact O-CB 3.29Å; P73-S100 PolarHBondContact O-OG 2.83Å
74	T	94.5	Very high	94.3	Very high	76 Å²	76	59.6 Å²	59.6	47%	0.466	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142.8	165.8	-67.1	0	0	0	0	111.2	A76 D97	T74-A76 PolarHBondContact O-N 2.92Å; T74-D97 PolarHBondContact N-OD2 2.9Å
75	E	91.4	Very high	94.3	Very high	105 Å²	105	61.7 Å²	61.7	49%	0.491	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	11	177.6	-71.4	175.1	171.4	0	0	116.1	F77 Y78 G99 Y102	E75-F77 PolarHBondContact O-N 2.99Å; E75-Y78 VanDerWaalsContact O-CB 3.27Å; E75-Y78 WeakPolarHBondContact O-CB 3.48Å; E75-Y78 PolarHBondContact O-N 2.96Å; E75-G99 PolarHBondContact N-O 2.86Å; E75-Y102 HydrophobicContact CG-CD1 4.41Å
76	A	93.5	Very high	94.4	Very high	27 Å²	27	60.2 Å²	60.2	22%	0.223	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-35.1	179.2	0	0	0	0	0	115.6	I51 I72 P73 T74	I51-A76 HydrophobicContact CG2-CB 4.23Å; I72-A76 HydrophobicContact CG2-CB 3.82Å; P73-A76 HydrophobicContact CG-CB 4.04Å; P73-A76 VanDerWaalsContact O-CB 3.29Å; P73-A76 WeakPolarHBondContact O-CB 3.09Å; P73-A76 PolarHBondContact O-N 3.03Å; T74-A76 PolarHBondContact O-N 2.92Å
77	F	94.9	Very high	94.7	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.013	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	12.7	-176.7	-48.6	-65.4	0	0	0	113.5	I51 L62 I72 E75 Y79 L80 L86 I88 S100 F101 L104	I51-F77 HydrophobicContact CD1-CZ 4.17Å; I51-F77 HydrophobicContact CG2-CD1 4.48Å; I51-F77 HydrophobicContact CG2-CE1 3.6Å; I51-F77 HydrophobicContact CG2-CZ 3.9Å; L62-F77 HydrophobicContact CD2-CD1 3.99Å; L62-F77 HydrophobicContact CD2-CE1 3.88Å; I72-F77 HydrophobicContact CG2-CE2 3.59Å; I72-F77 HydrophobicContact CG2-CZ 4.01Å; E75-F77 PolarHBondContact O-N 2.99Å; F77-Y79 VanDerWaalsContact C-N 3.26Å; F77-Y79 PolarHBondContact O-N 3.34Å; F77-Y79 VanDerWaalsContact O-N 3.08Å; F77-L80 HydrophobicContact CB-CD1 4.33Å; F77-L80 HydrophobicContact CD1-CD1 4.12Å; F77-L80 WeakPolarHBondContact O-CB 3.46Å; F77-L80 PolarHBondContact O-N 2.81Å; F77-L86 HydrophobicContact CD1-CD1 4.42Å; F77-L86 HydrophobicContact CD1-CD2 4.42Å; F77-L86 HydrophobicContact CD2-CD2 3.69Å; F77-L86 HydrophobicContact CE1-CD1 4.09Å; F77-L86 HydrophobicContact CE1-CD2 4.45Å; F77-L86 HydrophobicContact CE2-CD2 3.72Å; F77-L86 HydrophobicContact CG-CD2 4.07Å; F77-L86 HydrophobicContact CZ-CD1 4.22Å; F77-L86 HydrophobicContact CZ-CD2 4.13Å; F77-I88 HydrophobicContact CE1-CD1 4.49Å; F77-I88 HydrophobicContact CE2-CD1 4Å; F77-I88 HydrophobicContact CZ-CD1 3.54Å; F77-S100 WeakPolarHBondContact CD2-O 3.35Å; F77-F101 HydrophobicContact CD2-CD1 4.02Å; F77-F101 HydrophobicContact CD2-CE1 4.25Å; F77-F101 HydrophobicContact CE2-CD1 4.18Å; F77-F101 AromaticContact CE2-CE1 3.94Å; F77-F101 HydrophobicContact CE2-CE1 3.94Å; F77-L104 HydrophobicContact CB-CD1 4.06Å; F77-L104 HydrophobicContact CB-CD2 3.93Å; F77-L104 HydrophobicContact CB-CG 4.37Å; F77-L104 HydrophobicContact CD2-CD1 4.41Å
78	Y	93.1	Very high	94.8	Very high	82 Å²	82	55.3 Å²	55.3	32%	0.322	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-36.6	-168.3	171.7	-114	0	0	0	115.1	E75 Y102 N103	E75-Y78 VanDerWaalsContact O-CB 3.27Å; E75-Y78 WeakPolarHBondContact O-CB 3.48Å; E75-Y78 PolarHBondContact O-N 2.96Å; Y78-Y102 AromaticContact CD2-CD1 3.64Å; Y78-Y102 HydrophobicContact CD2-CD1 3.64Å; Y78-Y102 HydrophobicContact CD2-CE1 4.09Å; Y78-Y102 AromaticContact CE2-CD1 3.85Å; Y78-Y102 HydrophobicContact CE2-CD1 3.85Å; Y78-Y102 AromaticContact CE2-CE1 3.79Å; Y78-Y102 HydrophobicContact CE2-CE1 3.79Å; Y78-N103 HydrophobicContact CD2-CB 3.82Å; Y78-N103 HydrophobicContact CE2-CB 4.01Å; Y78-N103 PolarHBondContact O-ND2 2.96Å
79	Y	91.3	Very high	94.9	Very high	169 Å²	169	54.4 Å²	54.4	66%	0.663	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.6	-179.5	-58.7	-70.3	0	0	0	114.3	F77 V81	F77-Y79 VanDerWaalsContact C-N 3.26Å; F77-Y79 PolarHBondContact O-N 3.34Å; F77-Y79 VanDerWaalsContact O-N 3.08Å; Y79-V81 VanDerWaalsContact C-N 3.26Å; Y79-V81 PolarHBondContact O-N 2.67Å
80	L	93.1	Very high	94.8	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.037	27%	0.269	C	S	.	.			trans	-88	58.9	-173.9	-53.7	-176.1	0	0	0	111.3	V55 L62 F77 E82 L83	V55-L80 HydrophobicContact CB-CD1 4.37Å; V55-L80 HydrophobicContact CB-CD2 4.1Å; V55-L80 HydrophobicContact CG1-CD1 4.01Å; V55-L80 HydrophobicContact CG1-CD2 3.8Å; L62-L80 HydrophobicContact CD2-CD1 3.91Å; F77-L80 HydrophobicContact CB-CD1 4.33Å; F77-L80 HydrophobicContact CD1-CD1 4.12Å; F77-L80 WeakPolarHBondContact O-CB 3.46Å; F77-L80 PolarHBondContact O-N 2.81Å; L80-E82 VanDerWaalsContact C-N 3.26Å; L80-E82 PolarHBondContact O-N 3.02Å; L80-L83 HydrophobicContact CB-CB 3.99Å; L80-L83 HydrophobicContact CB-CD2 4.16Å; L80-L83 HydrophobicContact CD1-CD2 4.17Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 3.44Å; L80-L83 VanDerWaalsContact O-N 3.08Å
81	V	91.3	Very high	94.8	Very high	70 Å²	70	52.4 Å²	52.4	42%	0.424	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.4	-170.3	-61.9	0	0	0	0	115.1	Y79 N103 V106	Y79-V81 VanDerWaalsContact C-N 3.26Å; Y79-V81 PolarHBondContact O-N 2.67Å; V81-N103 WeakPolarHBondContact CG1-ND2 3.35Å; V81-V106 VanDerWaalsContact O-CG2 3.25Å; V81-V106 WeakPolarHBondContact O-CG2 3.43Å
82	E	92.4	Very high	94.8	Very high	83 Å²	83	48.8 Å²	48.8	39%	0.388	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.1	174	-76.9	-61.5	148.8	0	0	113.8	L80 R84	L80-E82 VanDerWaalsContact C-N 3.26Å; L80-E82 PolarHBondContact O-N 3.02Å; E82-R84 PolarHBondContact O-N 3.09Å; E82-R84 IonicContact OE2-CZ 3.9Å; E82-R84 IonicContact OE2-NE 3.71Å; E82-R84 IonicContact OE2-NH2 3.68Å; E82-R84 PolarHBondContact OE2-NH2 3.43Å
83	L	95.8	Very high	94.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	23%	0.232	C	C	.	.			trans	-68	119.8	-176.4	-169.3	67.7	0	0	0	111.4	T59 L62 L80 Y85 L86 L104 V106 L107	T59-L83 HydrophobicContact CG2-CD1 4.23Å; T59-L83 WeakPolarHBondContact O-CA 3.36Å; L62-L83 HydrophobicContact CB-CD1 3.77Å; L80-L83 HydrophobicContact CB-CB 3.99Å; L80-L83 HydrophobicContact CB-CD2 4.16Å; L80-L83 HydrophobicContact CD1-CD2 4.17Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 3.44Å; L80-L83 VanDerWaalsContact O-N 3.08Å; L83-Y85 WeakPolarHBondContact CD1-O 3.22Å; L83-L86 HydrophobicContact CD2-CB 4Å; L83-L86 HydrophobicContact CD2-CD1 4.26Å; L83-L86 HydrophobicContact CD2-CD2 4.19Å; L83-L86 HydrophobicContact CD2-CG 4.38Å; L83-L104 HydrophobicContact CB-CD2 4.46Å; L83-L104 HydrophobicContact CD2-CD2 4.18Å; L83-V106 CarbonylContact O-C 3.49Å; L83-V106 WeakPolarHBondContact O-CG2 3.12Å; L83-L107 HydrophobicContact CB-CD1 4.44Å; L83-L107 HydrophobicContact CD2-CD1 4.22Å; L83-L107 HydrophobicContact CG-CD1 3.91Å; L83-L107 WeakPolarHBondContact O-CA 3.49Å; L83-L107 WeakPolarHBondContact O-CD1 3.39Å; L83-L107 PolarHBondContact O-N 3.15Å
84	R	96.1	Very high	94.8	Very high	80 Å²	80	49.9 Å²	49.9	30%	0.302	24%	0.238	S	C	.	.			trans	-107.8	-28.9	-179.4	-68.1	170.5	-158.9	-106.3	-6.5	112.7	V60 E82 V106 H108 E109	V60-R84 HydrophobicContact CG1-CB 4.02Å; V60-R84 HydrophobicContact CG1-CG 4.07Å; V60-R84 PolarHBondContact O-N 2.9Å; E82-R84 PolarHBondContact O-N 3.09Å; E82-R84 IonicContact OE2-CZ 3.9Å; E82-R84 IonicContact OE2-NE 3.71Å; E82-R84 IonicContact OE2-NH2 3.68Å; E82-R84 PolarHBondContact OE2-NH2 3.43Å; R84-V106 HydrophobicContact CG-CG2 4.19Å; R84-H108 PolarHBondContact O-N 3.49Å; R84-E109 PolarHBondContact O-N 2.65Å
85	Y	97.1	Very high	94.9	Very high	44 Å²	44	48.5 Å²	48.5	17%	0.173	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.2	-179.3	-53.7	-91.6	0	0	0	109.3	V60 K61 L62 L83 E109 L572	V60-Y85 PolarHBondContact O-N 3.43Å; K61-Y85 WeakPolarHBondContact CA-O 3.47Å; K61-Y85 HydrophobicContact CB-CD2 4.3Å; K61-Y85 HydrophobicContact CD-CD2 4.25Å; K61-Y85 HydrophobicContact CD-CG 4.13Å; K61-Y85 HydrophobicContact CG-CG 4.42Å; L62-Y85 PolarHBondContact N-O 2.95Å; L83-Y85 WeakPolarHBondContact CD1-O 3.22Å; Y85-E109 WeakPolarHBondContact CA-O 3.41Å; Y85-E109 HydrophobicContact CD1-CB 3.8Å; Y85-E109 HydrophobicContact CD1-CG 4.36Å; Y85-E109 HydrophobicContact CE1-CB 4.35Å; Y85-L572 HydrophobicContact CE2-CD2 4.27Å
86	L	97.8	Very high	95.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	109.6	175	178.1	53	0	0	0	109	L62 F77 L83 I88 F101 L104 L107 E109 L110 R111	L62-L86 HydrophobicContact CB-CD1 4.13Å; L62-L86 HydrophobicContact CD2-CD1 3.97Å; L62-L86 HydrophobicContact CG-CD1 4.14Å; F77-L86 HydrophobicContact CD1-CD1 4.42Å; F77-L86 HydrophobicContact CD1-CD2 4.42Å; F77-L86 HydrophobicContact CD2-CD2 3.69Å; F77-L86 HydrophobicContact CE1-CD1 4.09Å; F77-L86 HydrophobicContact CE1-CD2 4.45Å; F77-L86 HydrophobicContact CE2-CD2 3.72Å; F77-L86 HydrophobicContact CG-CD2 4.07Å; F77-L86 HydrophobicContact CZ-CD1 4.22Å; F77-L86 HydrophobicContact CZ-CD2 4.13Å; L83-L86 HydrophobicContact CD2-CB 4Å; L83-L86 HydrophobicContact CD2-CD1 4.26Å; L83-L86 HydrophobicContact CD2-CD2 4.19Å; L83-L86 HydrophobicContact CD2-CG 4.38Å; L86-I88 HydrophobicContact CD1-CD1 3.99Å; L86-I88 HydrophobicContact CD1-CG1 3.88Å; L86-I88 HydrophobicContact CD2-CD1 4.37Å; L86-I88 HydrophobicContact CG-CD1 4.15Å; L86-I88 HydrophobicContact CG-CG1 4.24Å; L86-F101 HydrophobicContact CD2-CD1 4.05Å; L86-F101 HydrophobicContact CD2-CE1 3.92Å; L86-L104 HydrophobicContact CD2-CD1 4.12Å; L86-L107 HydrophobicContact CB-CD1 3.8Å; L86-L107 HydrophobicContact CB-CD2 4.31Å; L86-E109 PolarHBondContact N-O 3.19Å; L86-L110 HydrophobicContact CB-CD1 4.11Å; L86-L110 HydrophobicContact CD2-CD1 3.96Å; L86-L110 HydrophobicContact CG-CD1 3.95Å; L86-L110 WeakPolarHBondContact O-CA 3.45Å; L86-R111 PolarHBondContact O-N 2.81Å
87	W	97.8	Very high	95.2	Very high	44 Å²	44	45 Å²	45	17%	0.167	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.9	-178.9	-62.7	-6.6	0	0	0	108.7	L62 R63 V64 T89 E109 R111	L62-W87 PolarHBondContact O-N 3.3Å; R63-W87 CarbonylContact C-O 3.56Å; R63-W87 WeakPolarHBondContact CA-O 3.34Å; R63-W87 HydrophobicContact CG-CB 4.42Å; R63-W87 HydrophobicContact CG-CD2 4.41Å; R63-W87 HydrophobicContact CG-CE3 3.85Å; V64-W87 PolarHBondContact N-O 2.88Å; W87-T89 HydrophobicContact CB-CG2 4.08Å; W87-E109 VanDerWaalsContact CE2-OE1 3.29Å; W87-E109 VanDerWaalsContact CZ2-OE1 3.29Å; W87-E109 WeakPolarHBondContact CZ2-OE1 3.12Å; W87-E109 PolarHBondContact NE1-OE1 2.87Å; W87-R111 HydrophobicContact CB-CB 4.47Å; W87-R111 HydrophobicContact CG-CB 4.33Å; W87-R111 HydrophobicContact CG-CG 4.34Å
88	I	96.9	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	71	177.8	-50.5	169.7	0	0	0	107.6	I51 V64 I72 F77 L86 N91 V93 R111 L112 N115	I51-I88 HydrophobicContact CD1-CD1 4.44Å; V64-I88 HydrophobicContact CB-CG2 4.3Å; V64-I88 CarbonylContact O-C 3.44Å; V64-I88 VanDerWaalsContact O-CA 3.25Å; V64-I88 WeakPolarHBondContact O-CA 3.37Å; I72-I88 HydrophobicContact CD1-CD1 3.59Å; I72-I88 HydrophobicContact CG1-CD1 4.42Å; F77-I88 HydrophobicContact CE1-CD1 4.49Å; F77-I88 HydrophobicContact CE2-CD1 4Å; F77-I88 HydrophobicContact CZ-CD1 3.54Å; L86-I88 HydrophobicContact CD1-CD1 3.99Å; L86-I88 HydrophobicContact CD1-CG1 3.88Å; L86-I88 HydrophobicContact CD2-CD1 4.37Å; L86-I88 HydrophobicContact CG-CD1 4.15Å; L86-I88 HydrophobicContact CG-CG1 4.24Å; I88-N91 WeakPolarHBondContact CG2-ND2 3.43Å; I88-N91 PolarHBondContact O-ND2 3.49Å; I88-V93 HydrophobicContact CG2-CG2 4.3Å; I88-R111 PolarHBondContact N-O 2.92Å; I88-L112 HydrophobicContact CB-CD2 3.97Å; I88-L112 HydrophobicContact CD1-CD2 4.01Å; I88-L112 HydrophobicContact CG1-CD2 4.35Å; I88-N115 PolarHBondContact O-ND2 2.89Å
89	T	95.6	Very high	95	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.086	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.3	-159.9	69	0	0	0	0	113	V64 E65 K66 W87 N91 R111 D113	V64-T89 PolarHBondContact O-N 3Å; E65-T89 VanDerWaalsContact CA-O 3.3Å; E65-T89 WeakPolarHBondContact CA-O 3.33Å; K66-T89 PolarHBondContact N-O 2.81Å; W87-T89 HydrophobicContact CB-CG2 4.08Å; T89-N91 VanDerWaalsContact C-N 3.31Å; T89-N91 PolarHBondContact N-ND2 3.37Å; T89-N91 VanDerWaalsContact N-ND2 3.14Å; T89-N91 PolarHBondContact O-N 2.83Å; T89-N91 PolarHBondContact O-ND2 3.31Å; T89-N91 VanDerWaalsContact O-ND2 3.11Å; T89-R111 HydrophobicContact CG2-CB 3.88Å; T89-D113 CarbonylContact C-O 3.58Å; T89-D113 WeakPolarHBondContact CA-O 3.34Å; T89-D113 WeakPolarHBondContact CB-OD2 3.28Å; T89-D113 WeakPolarHBondContact CG2-OD1 3.46Å
90	Y	94.9	Very high	95.1	Very high	124 Å²	124	39.1 Å²	39.1	49%	0.486	21%	0.207	S	C	.	.	S	Bend	trans	53	43.3	-179.4	-58.5	-91.3	0	0	0	113.8	K66 D113 G114 H137	K66-Y90 WeakPolarHBondContact CA-O 3.17Å; K66-Y90 PolarHBondContact N-O 2.97Å; Y90-D113 WeakPolarHBondContact CE2-OD2 3.38Å; Y90-D113 PolarHBondContact N-O 2.8Å; Y90-G114 WeakPolarHBondContact CA-O 3.28Å; Y90-H137 PolarHBondContact OH-CE1 2.9Å
91	N	95.3	Very high	95.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	21%	0.205	C	C	.	.	S	Bend	trans	-109.5	-162.4	174.1	-50.8	-72.2	0	0	0	110.1	V64 K66 T67 V69 I88 T89 V93 N115	V64-N91 PolarHBondContact O-ND2 2.89Å; K66-N91 PolarHBondContact N-OD1 2.85Å; T67-N91 WeakPolarHBondContact CA-OD1 3.05Å; T67-N91 WeakPolarHBondContact CB-OD1 3.47Å; T67-N91 PolarHBondContact N-OD1 2.94Å; T67-N91 PolarHBondContact O-OD1 2.63Å; T67-N91 PolarHBondContact OG1-OD1 3.27Å; V69-N91 HydrophobicContact CB-CB 4.44Å; I88-N91 WeakPolarHBondContact CG2-ND2 3.43Å; I88-N91 PolarHBondContact O-ND2 3.49Å; T89-N91 VanDerWaalsContact C-N 3.31Å; T89-N91 PolarHBondContact N-ND2 3.37Å; T89-N91 VanDerWaalsContact N-ND2 3.14Å; T89-N91 PolarHBondContact O-N 2.83Å; T89-N91 PolarHBondContact O-ND2 3.31Å; T89-N91 VanDerWaalsContact O-ND2 3.11Å; N91-V93 HydrophobicContact CB-CG2 4.44Å; N91-N115 VanDerWaalsContact C-OD1 3.25Å; N91-N115 WeakPolarHBondContact CB-OD1 3.17Å; N91-N115 PolarHBondContact N-OD1 2.63Å; N91-N115 PolarHBondContact O-OD1 2.77Å
92	S	95.4	Very high	95.3	Very high	41 Å²	41	40.3 Å²	40.3	29%	0.287	20%	0.204	S	C	.	.			trans	-110.6	26.7	-179.2	-66.3	0	0	0	0	113.5	V69 R70 T94	V69-S92 CarbonylContact O-C 3.56Å; V69-S92 VanDerWaalsContact O-CA 3.27Å; V69-S92 WeakPolarHBondContact O-CA 3.48Å; V69-S92 PolarHBondContact O-N 3.21Å; R70-S92 WeakPolarHBondContact CA-O 3.3Å; S92-T94 PolarHBondContact O-N 2.81Å; S92-T94 VanDerWaalsContact O-N 3.13Å
93	V	97.1	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.			trans	-65	115.6	-172.2	-178.7	0	0	0	0	110.8	V69 R70 I72 I88 N91 V96 N115 M116 I117	V69-V93 HydrophobicContact CG1-CG2 4.08Å; V69-V93 PolarHBondContact O-N 2.98Å; V69-V93 VanDerWaalsContact O-N 3.16Å; R70-V93 WeakPolarHBondContact O-CA 3.39Å; I72-V93 HydrophobicContact CD1-CG1 4.47Å; I72-V93 HydrophobicContact CG1-CG1 4.09Å; I72-V93 HydrophobicContact CG1-CG2 4.44Å; I88-V93 HydrophobicContact CG2-CG2 4.3Å; N91-V93 HydrophobicContact CB-CG2 4.44Å; V93-V96 HydrophobicContact CG1-CG2 3.9Å; V93-N115 HydrophobicContact CB-CB 4.1Å; V93-N115 WeakPolarHBondContact CB-OD1 3.5Å; V93-N115 WeakPolarHBondContact CG2-OD1 3.43Å; V93-N115 PolarHBondContact N-OD1 2.68Å; V93-N115 VanDerWaalsContact N-OD1 3.15Å; V93-M116 CarbonylContact O-C 3.52Å; V93-M116 VanDerWaalsContact O-CA 3.3Å; V93-M116 WeakPolarHBondContact O-CA 3.14Å; V93-M116 PolarHBondContact O-N 2.96Å; V93-I117 HydrophobicContact CB-CG1 4.33Å; V93-I117 HydrophobicContact CG1-CD1 4.25Å; V93-I117 HydrophobicContact CG1-CG1 3.98Å; V93-I117 WeakPolarHBondContact O-CG1 3.18Å; V93-I117 PolarHBondContact O-N 3.44Å; V93-I117 VanDerWaalsContact O-N 3.15Å
94	T	95.9	Very high	95.2	Very high	70 Å²	70	37.7 Å²	37.7	43%	0.429	19%	0.193	S	C	.	.			trans	-99.8	-29	175.1	54	0	0	0	0	112.6	R70 S92 M116	R70-T94 PolarHBondContact O-N 3.17Å; R70-T94 PolarHBondContact O-OG1 3.33Å; S92-T94 PolarHBondContact O-N 2.81Å; S92-T94 VanDerWaalsContact O-N 3.13Å; T94-M116 HydrophobicContact CG2-CB 3.97Å
95	S	95.4	Very high	95	Very high	47 Å²	47	39.2 Å²	39.2	33%	0.329	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.8	-176.9	58.2	0	0	0	0	113	R71 I72	R71-S95 WeakPolarHBondContact CA-O 3.43Å; I72-S95 PolarHBondContact N-O 2.82Å
96	V	96.4	Very high	95	Very high	15 Å²	15	38 Å²	38	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.6	176.7	-178	0	0	0	0	106.8	I72 V93 F101 I117 P121	I72-V96 HydrophobicContact CB-CG1 4.17Å; I72-V96 HydrophobicContact CB-CG2 4.47Å; I72-V96 HydrophobicContact CD1-CG1 4.23Å; I72-V96 HydrophobicContact CD1-CG2 3.93Å; I72-V96 HydrophobicContact CG1-CG2 4.21Å; V93-V96 HydrophobicContact CG1-CG2 3.9Å; V96-F101 HydrophobicContact CG1-CE2 3.64Å; V96-F101 HydrophobicContact CG1-CZ 3.91Å; V96-I117 HydrophobicContact CG2-CD1 4.01Å; V96-I117 HydrophobicContact CG2-CG1 4.38Å; V96-P121 HydrophobicContact CB-CG 4.18Å; V96-P121 HydrophobicContact CG1-CG 3.79Å
97	D	95	Very high	94.9	Very high	44 Å²	44	38 Å²	38	24%	0.235	20%	0.199	C	C	.	.			trans	-72.3	148.3	-178.3	-66	-28.6	0	0	0	110.4	R71 I72 P73 T74 G99 S100	R71-D97 IonicContact CZ-OD2 3.15Å; R71-D97 IonicContact NE-OD2 3.51Å; R71-D97 IonicContact NH2-OD1 2.71Å; R71-D97 IonicContact NH2-OD2 2.99Å; R71-D97 PolarHBondContact NH2-OD2 3.15Å; I72-D97 PolarHBondContact O-N 3.04Å; I72-D97 VanDerWaalsContact O-N 3.07Å; P73-D97 VanDerWaalsContact CA-OD2 3.31Å; P73-D97 WeakPolarHBondContact CA-OD2 3.43Å; T74-D97 PolarHBondContact N-OD2 2.9Å; D97-G99 PolarHBondContact O-N 3.05Å; D97-G99 VanDerWaalsContact O-N 3.09Å; D97-S100 PolarHBondContact N-OG 2.03Å; D97-S100 VanDerWaalsContact O-CB 3.31Å; D97-S100 WeakPolarHBondContact O-CB 3.3Å; D97-S100 PolarHBondContact O-N 2.89Å; D97-S100 PolarHBondContact O-OG 2.83Å
98	T	90.3	Very high	94.8	Very high	110 Å²	110	38.4 Å²	38.4	68%	0.675	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.6	-171.6	51.3	0	0	0	0	114.1	P121	T98-P121 HydrophobicContact CG2-CB 4.08Å
99	G	93.3	Very high	94.8	Very high	19 Å²	19	39 Å²	39	20%	0.196	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9	175.2	0	0	0	0	0	115.2	E75 D97 F101 Y102	E75-G99 PolarHBondContact N-O 2.86Å; D97-G99 PolarHBondContact O-N 3.05Å; D97-G99 VanDerWaalsContact O-N 3.09Å; G99-F101 VanDerWaalsContact C-N 3.35Å; G99-F101 PolarHBondContact O-N 2.86Å; G99-Y102 WeakPolarHBondContact O-CB 3.36Å; G99-Y102 PolarHBondContact O-N 3.12Å
100	S	94.4	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.2	-175.7	-71.7	0	0	0	0	114.5	I72 P73 F77 D97	I72-S100 WeakPolarHBondContact CG2-OG 3.01Å; I72-S100 PolarHBondContact O-OG 2.92Å; P73-S100 VanDerWaalsContact C-OG 3.32Å; P73-S100 VanDerWaalsContact O-CA 3.31Å; P73-S100 WeakPolarHBondContact O-CA 3.2Å; P73-S100 WeakPolarHBondContact O-CB 3.29Å; P73-S100 PolarHBondContact O-OG 2.83Å; F77-S100 WeakPolarHBondContact CD2-O 3.35Å; D97-S100 PolarHBondContact N-OG 2.03Å; D97-S100 VanDerWaalsContact O-CB 3.31Å; D97-S100 WeakPolarHBondContact O-CB 3.3Å; D97-S100 PolarHBondContact O-N 2.89Å; D97-S100 PolarHBondContact O-OG 2.83Å
101	F	94.5	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	20.2	-175.8	-54.1	-60.9	0	0	0	113.3	I72 F77 L86 V96 G99 L104 L110 L112 F120 E127 M128	I72-F101 HydrophobicContact CD1-CE1 4.46Å; I72-F101 HydrophobicContact CD1-CZ 4.11Å; F77-F101 HydrophobicContact CD2-CD1 4.02Å; F77-F101 HydrophobicContact CD2-CE1 4.25Å; F77-F101 HydrophobicContact CE2-CD1 4.18Å; F77-F101 AromaticContact CE2-CE1 3.94Å; F77-F101 HydrophobicContact CE2-CE1 3.94Å; L86-F101 HydrophobicContact CD2-CD1 4.05Å; L86-F101 HydrophobicContact CD2-CE1 3.92Å; V96-F101 HydrophobicContact CG1-CE2 3.64Å; V96-F101 HydrophobicContact CG1-CZ 3.91Å; G99-F101 VanDerWaalsContact C-N 3.35Å; G99-F101 PolarHBondContact O-N 2.86Å; F101-L104 HydrophobicContact CB-CD1 4.03Å; F101-L104 HydrophobicContact CD1-CD1 4.01Å; F101-L104 WeakPolarHBondContact O-CG 3.24Å; F101-L104 PolarHBondContact O-N 3.35Å; F101-L110 HydrophobicContact CE1-CD1 3.92Å; F101-L110 HydrophobicContact CE1-CD2 4.26Å; F101-L110 HydrophobicContact CE2-CD2 4.17Å; F101-L110 HydrophobicContact CZ-CD1 4.23Å; F101-L110 HydrophobicContact CZ-CD2 4.05Å; F101-L112 HydrophobicContact CZ-CD1 4.04Å; F101-L112 HydrophobicContact CZ-CD2 4.38Å; F101-F120 HydrophobicContact CE2-CE2 4.03Å; F101-F120 HydrophobicContact CE2-CZ 4.41Å; F101-E127 WeakPolarHBondContact O-CB 3.46Å; F101-M128 HydrophobicContact CB-CE 3.8Å; F101-M128 HydrophobicContact CB-CG 4.47Å; F101-M128 HydrophobicContact CB-SD 3.79Å; F101-M128 HydrophobicContact CD2-CE 4.01Å; F101-M128 HydrophobicContact CG-CE 3.98Å; F101-M128 HydrophobicContact CG-SD 4.11Å
102	Y	93.8	Very high	95.2	Very high	102 Å²	102	35.1 Å²	35.1	40%	0.4	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	140.1	-177.6	-173.4	-126.7	0	0	0	112	E75 Y78 G99 L104 E127	E75-Y102 HydrophobicContact CG-CD1 4.41Å; Y78-Y102 AromaticContact CD2-CD1 3.64Å; Y78-Y102 HydrophobicContact CD2-CD1 3.64Å; Y78-Y102 HydrophobicContact CD2-CE1 4.09Å; Y78-Y102 AromaticContact CE2-CD1 3.85Å; Y78-Y102 HydrophobicContact CE2-CD1 3.85Å; Y78-Y102 AromaticContact CE2-CE1 3.79Å; Y78-Y102 HydrophobicContact CE2-CE1 3.79Å; G99-Y102 WeakPolarHBondContact O-CB 3.36Å; G99-Y102 PolarHBondContact O-N 3.12Å; Y102-L104 VanDerWaalsContact C-N 3.26Å; Y102-L104 PolarHBondContact O-N 2.85Å; Y102-E127 HydrophobicContact CD2-CG 4.18Å; Y102-E127 VanDerWaalsContact CD2-OE2 3.24Å; Y102-E127 WeakPolarHBondContact CD2-OE2 3.36Å; Y102-E127 WeakPolarHBondContact CE2-OE2 3.17Å
103	N	91.3	Very high	95.2	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	6.4	176.8	-165	44.3	0	0	0	116.8	Y78 V81 K105	Y78-N103 HydrophobicContact CD2-CB 3.82Å; Y78-N103 HydrophobicContact CE2-CB 4.01Å; Y78-N103 PolarHBondContact O-ND2 2.96Å; V81-N103 WeakPolarHBondContact CG1-ND2 3.35Å; N103-K105 PolarHBondContact O-N 3.47Å; N103-K105 WeakPolarHBondContact OD1-CE 2.99Å; N103-K105 PolarHBondContact OD1-NZ 3.04Å
104	L	94.8	Very high	95.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.183	C	C	.	.			trans	-75.6	51.2	-179.3	-66.2	-173.2	0	0	0	114.8	F77 L83 L86 F101 Y102 V106 L107 E127 M128	F77-L104 HydrophobicContact CB-CD1 4.06Å; F77-L104 HydrophobicContact CB-CD2 3.93Å; F77-L104 HydrophobicContact CB-CG 4.37Å; F77-L104 HydrophobicContact CD2-CD1 4.41Å; L83-L104 HydrophobicContact CB-CD2 4.46Å; L83-L104 HydrophobicContact CD2-CD2 4.18Å; L86-L104 HydrophobicContact CD2-CD1 4.12Å; F101-L104 HydrophobicContact CB-CD1 4.03Å; F101-L104 HydrophobicContact CD1-CD1 4.01Å; F101-L104 WeakPolarHBondContact O-CG 3.24Å; F101-L104 PolarHBondContact O-N 3.35Å; Y102-L104 VanDerWaalsContact C-N 3.26Å; Y102-L104 PolarHBondContact O-N 2.85Å; L104-V106 VanDerWaalsContact C-N 3.25Å; L104-V106 PolarHBondContact O-N 2.9Å; L104-V106 VanDerWaalsContact O-N 3.09Å; L104-L107 HydrophobicContact CB-CB 4.3Å; L104-L107 HydrophobicContact CD1-CD2 4.34Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 PolarHBondContact O-N 2.83Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-E127 CarbonylContact C-O 3.52Å; L104-M128 HydrophobicContact CB-CG 3.9Å
105	K	92.9	Very high	95.2	Very high	112 Å²	112	31.2 Å²	31.2	49%	0.487	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.7	-167.6	-71.2	158.7	179.6	155.3	0	116	N103 E127 R130	N103-K105 PolarHBondContact O-N 3.47Å; N103-K105 WeakPolarHBondContact OD1-CE 2.99Å; N103-K105 PolarHBondContact OD1-NZ 3.04Å; K105-E127 PolarHBondContact N-O 2.84Å; K105-R130 WeakPolarHBondContact O-CD 3.44Å
106	V	95.4	Very high	95.3	Very high	19 Å²	19	32.5 Å²	32.5	12%	0.115	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	4.8	179.8	-49.7	0	0	0	0	114	V81 L83 R84 L104 H108	V81-V106 VanDerWaalsContact O-CG2 3.25Å; V81-V106 WeakPolarHBondContact O-CG2 3.43Å; L83-V106 CarbonylContact O-C 3.49Å; L83-V106 WeakPolarHBondContact O-CG2 3.12Å; R84-V106 HydrophobicContact CG-CG2 4.19Å; L104-V106 VanDerWaalsContact C-N 3.25Å; L104-V106 PolarHBondContact O-N 2.9Å; L104-V106 VanDerWaalsContact O-N 3.09Å; V106-H108 PolarHBondContact O-N 2.98Å
107	L	96.5	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.			trans	-62.7	130.7	178.6	-159.8	76.3	0	0	0	110.4	L83 L86 L104 L110 M128 R130 L131	L83-L107 HydrophobicContact CB-CD1 4.44Å; L83-L107 HydrophobicContact CD2-CD1 4.22Å; L83-L107 HydrophobicContact CG-CD1 3.91Å; L83-L107 WeakPolarHBondContact O-CA 3.49Å; L83-L107 WeakPolarHBondContact O-CD1 3.39Å; L83-L107 PolarHBondContact O-N 3.15Å; L86-L107 HydrophobicContact CB-CD1 3.8Å; L86-L107 HydrophobicContact CB-CD2 4.31Å; L104-L107 HydrophobicContact CB-CB 4.3Å; L104-L107 HydrophobicContact CD1-CD2 4.34Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 PolarHBondContact O-N 2.83Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L107-L110 HydrophobicContact CD2-CB 3.94Å; L107-L110 HydrophobicContact CD2-CD1 4.48Å; L107-M128 HydrophobicContact CB-CG 4.41Å; L107-M128 HydrophobicContact CD2-CG 4.26Å; L107-M128 HydrophobicContact CD2-SD 3.45Å; L107-M128 WeakPolarHBondContact CD2-SD 3.42Å; L107-R130 CarbonylContact O-C 3.53Å; L107-L131 HydrophobicContact CD2-CD1 4.27Å; L107-L131 WeakPolarHBondContact O-CA 3.33Å; L107-L131 PolarHBondContact O-N 2.81Å; L107-L131 VanDerWaalsContact O-N 3.1Å
108	H	95.5	Very high	95.4	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.245	17%	0.171	C	C	.	.			trans	-108.4	-30.4	176.9	-69.6	-43.5	0	0	0	112.2	R84 V106 R130 K132 T133	R84-H108 PolarHBondContact O-N 3.49Å; V106-H108 PolarHBondContact O-N 2.98Å; H108-R130 PolarHBondContact ND1-O 2.7Å; H108-K132 PolarHBondContact O-N 2.65Å; H108-T133 PolarHBondContact O-N 3.16Å; H108-T133 VanDerWaalsContact O-N 3.08Å
109	E	97.4	Very high	95.6	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.2	-174.8	-178.7	167.8	139.9	0	0	111.1	R84 Y85 L86 W87 R111 T133	R84-E109 PolarHBondContact O-N 2.65Å; Y85-E109 WeakPolarHBondContact CA-O 3.41Å; Y85-E109 HydrophobicContact CD1-CB 3.8Å; Y85-E109 HydrophobicContact CD1-CG 4.36Å; Y85-E109 HydrophobicContact CE1-CB 4.35Å; L86-E109 PolarHBondContact N-O 3.19Å; W87-E109 VanDerWaalsContact CE2-OE1 3.29Å; W87-E109 VanDerWaalsContact CZ2-OE1 3.29Å; W87-E109 WeakPolarHBondContact CZ2-OE1 3.12Å; W87-E109 PolarHBondContact NE1-OE1 2.87Å; E109-R111 HydrophobicContact CG-CG 4.22Å; E109-R111 IonicContact OE1-CZ 2.76Å; E109-R111 VanDerWaalsContact OE1-CZ 3.26Å; E109-R111 IonicContact OE1-NE 2.72Å; E109-R111 PolarHBondContact OE1-NE 3.11Å; E109-R111 IonicContact OE1-NH2 2.63Å; E109-R111 PolarHBondContact OE1-NH2 2.91Å; E109-T133 WeakPolarHBondContact CA-O 3.1Å; E109-T133 HydrophobicContact CG-CG2 3.76Å
110	L	97.7	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.4	172.6	178.1	57.4	0	0	0	108.4	L86 F101 L107 L112 F120 M128 L131 T133 L134 D135	L86-L110 HydrophobicContact CB-CD1 4.11Å; L86-L110 HydrophobicContact CD2-CD1 3.96Å; L86-L110 HydrophobicContact CG-CD1 3.95Å; L86-L110 WeakPolarHBondContact O-CA 3.45Å; F101-L110 HydrophobicContact CE1-CD1 3.92Å; F101-L110 HydrophobicContact CE1-CD2 4.26Å; F101-L110 HydrophobicContact CE2-CD2 4.17Å; F101-L110 HydrophobicContact CZ-CD1 4.23Å; F101-L110 HydrophobicContact CZ-CD2 4.05Å; L107-L110 HydrophobicContact CD2-CB 3.94Å; L107-L110 HydrophobicContact CD2-CD1 4.48Å; L110-L112 HydrophobicContact CD1-CD1 4.39Å; L110-L112 HydrophobicContact CD1-CD2 4.14Å; L110-L112 HydrophobicContact CD1-CG 4.07Å; L110-L112 HydrophobicContact CD2-CD1 4.2Å; L110-L112 HydrophobicContact CG-CD1 4.25Å; L110-L112 HydrophobicContact CG-CG 4.17Å; L110-F120 HydrophobicContact CD2-CE2 4.41Å; L110-F120 HydrophobicContact CD2-CZ 4.36Å; L110-M128 HydrophobicContact CD2-CE 3.97Å; L110-M128 HydrophobicContact CD2-SD 4.09Å; L110-L131 HydrophobicContact CB-CD1 3.79Å; L110-T133 PolarHBondContact N-O 2.93Å; L110-L134 HydrophobicContact CB-CD1 4.21Å; L110-L134 HydrophobicContact CD2-CD1 4Å; L110-L134 HydrophobicContact CG-CD1 4.13Å; L110-L134 WeakPolarHBondContact O-CA 3.45Å; L110-D135 PolarHBondContact O-N 3.05Å
111	R	98.1	Very high	95.7	Very high	63 Å²	63	32 Å²	32	24%	0.238	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.4	172.1	-57.1	-164.5	-168.1	-129.7	2.3	111.2	L86 W87 I88 T89 E109 D113 D135	L86-R111 PolarHBondContact O-N 2.81Å; W87-R111 HydrophobicContact CB-CB 4.47Å; W87-R111 HydrophobicContact CG-CB 4.33Å; W87-R111 HydrophobicContact CG-CG 4.34Å; I88-R111 PolarHBondContact N-O 2.92Å; T89-R111 HydrophobicContact CG2-CB 3.88Å; E109-R111 HydrophobicContact CG-CG 4.22Å; E109-R111 IonicContact OE1-CZ 2.76Å; E109-R111 VanDerWaalsContact OE1-CZ 3.26Å; E109-R111 IonicContact OE1-NE 2.72Å; E109-R111 PolarHBondContact OE1-NE 3.11Å; E109-R111 IonicContact OE1-NH2 2.63Å; E109-R111 PolarHBondContact OE1-NH2 2.91Å; R111-D113 WeakPolarHBondContact CB-OD1 3.19Å; R111-D135 HydrophobicContact CB-CB 4.04Å; R111-D135 HydrophobicContact CG-CB 3.76Å; R111-D135 IonicContact NH1-OD2 3.75Å; R111-D135 PolarHBondContact NH1-OD2 2.9Å
112	L	97.3	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.			trans	-130.9	24.5	180	-61.8	173.6	0	0	0	110.2	I72 I88 F101 L110 N115 I117 F120 D135 L136 N139	I72-L112 HydrophobicContact CD1-CD2 3.94Å; I88-L112 HydrophobicContact CB-CD2 3.97Å; I88-L112 HydrophobicContact CD1-CD2 4.01Å; I88-L112 HydrophobicContact CG1-CD2 4.35Å; F101-L112 HydrophobicContact CZ-CD1 4.04Å; F101-L112 HydrophobicContact CZ-CD2 4.38Å; L110-L112 HydrophobicContact CD1-CD1 4.39Å; L110-L112 HydrophobicContact CD1-CD2 4.14Å; L110-L112 HydrophobicContact CD1-CG 4.07Å; L110-L112 HydrophobicContact CD2-CD1 4.2Å; L110-L112 HydrophobicContact CG-CD1 4.25Å; L110-L112 HydrophobicContact CG-CG 4.17Å; L112-N115 VanDerWaalsContact C-ND2 3.31Å; L112-N115 PolarHBondContact O-ND2 3.32Å; L112-I117 HydrophobicContact CB-CD1 3.97Å; L112-I117 HydrophobicContact CD1-CD1 4.22Å; L112-F120 HydrophobicContact CD1-CD2 3.97Å; L112-F120 HydrophobicContact CD1-CE2 3.58Å; L112-D135 PolarHBondContact N-O 2.78Å; L112-L136 HydrophobicContact CB-CD2 3.96Å; L112-L136 HydrophobicContact CD1-CD2 3.96Å; L112-N139 PolarHBondContact O-ND2 2.88Å
113	D	96.8	Very high	95.4	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.043	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	152.7	-173.9	59	-82.3	0	0	0	114	T89 Y90 R111 N115 H137	T89-D113 CarbonylContact C-O 3.58Å; T89-D113 WeakPolarHBondContact CA-O 3.34Å; T89-D113 WeakPolarHBondContact CB-OD2 3.28Å; T89-D113 WeakPolarHBondContact CG2-OD1 3.46Å; Y90-D113 WeakPolarHBondContact CE2-OD2 3.38Å; Y90-D113 PolarHBondContact N-O 2.8Å; R111-D113 WeakPolarHBondContact CB-OD1 3.19Å; D113-N115 VanDerWaalsContact C-N 3.32Å; D113-N115 PolarHBondContact O-N 2.82Å; D113-N115 PolarHBondContact O-ND2 2.88Å; D113-N115 VanDerWaalsContact O-ND2 3.08Å; D113-H137 VanDerWaalsContact CA-O 3.25Å; D113-H137 WeakPolarHBondContact CA-O 3.46Å; D113-H137 HydrophobicContact CB-CB 4.5Å; D113-H137 VanDerWaalsContact CB-CD2 3.5Å; D113-H137 WeakPolarHBondContact CB-CD2 3.31Å; D113-H137 IonicContact OD2-CE1 2.98Å; D113-H137 IonicContact OD2-NE2 2.82Å
114	G	96.1	Very high	95.5	Very high	13 Å²	13	30.5 Å²	30.5	13%	0.134	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	29.4	177.2	0	0	0	0	0	114.4	Y90 H137 N138	Y90-G114 WeakPolarHBondContact CA-O 3.28Å; G114-H137 PolarHBondContact N-O 3.08Å; G114-N138 WeakPolarHBondContact CA-O 3.5Å; G114-N138 PolarHBondContact N-O 2.9Å
115	N	97.4	Very high	95.4	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.048	16%	0.161	C	C	.	.	S	Bend	trans	-107.9	-163.4	178.3	-75.7	-78.8	0	0	0	111.2	I88 N91 V93 L112 D113 I117 N138 N139	I88-N115 PolarHBondContact O-ND2 2.89Å; N91-N115 VanDerWaalsContact C-OD1 3.25Å; N91-N115 WeakPolarHBondContact CB-OD1 3.17Å; N91-N115 PolarHBondContact N-OD1 2.63Å; N91-N115 PolarHBondContact O-OD1 2.77Å; V93-N115 HydrophobicContact CB-CB 4.1Å; V93-N115 WeakPolarHBondContact CB-OD1 3.5Å; V93-N115 WeakPolarHBondContact CG2-OD1 3.43Å; V93-N115 PolarHBondContact N-OD1 2.68Å; V93-N115 VanDerWaalsContact N-OD1 3.15Å; L112-N115 VanDerWaalsContact C-ND2 3.31Å; L112-N115 PolarHBondContact O-ND2 3.32Å; D113-N115 VanDerWaalsContact C-N 3.32Å; D113-N115 PolarHBondContact O-N 2.82Å; D113-N115 PolarHBondContact O-ND2 2.88Å; D113-N115 VanDerWaalsContact O-ND2 3.08Å; N115-I117 HydrophobicContact CB-CD1 4.32Å; N115-I117 HydrophobicContact CB-CG1 4.11Å; N115-N138 PolarHBondContact N-O 2.88Å; N115-N139 WeakPolarHBondContact CA-OD1 3.45Å; N115-N139 VanDerWaalsContact CB-OD1 3.26Å; N115-N139 WeakPolarHBondContact CB-OD1 3.41Å; N115-N139 PolarHBondContact O-OD1 3.49Å
116	M	97.1	Very high	95.3	Very high	74 Å²	74	30.1 Å²	30.1	37%	0.365	16%	0.16	S	C	.	.			trans	-122.5	23.2	-177.4	-51.4	-163.1	-158.5	0	0	112.3	V93 T94 S118 N139	V93-M116 CarbonylContact O-C 3.52Å; V93-M116 VanDerWaalsContact O-CA 3.3Å; V93-M116 WeakPolarHBondContact O-CA 3.14Å; V93-M116 PolarHBondContact O-N 2.96Å; T94-M116 HydrophobicContact CG2-CB 3.97Å; M116-S118 PolarHBondContact O-N 3.42Å; M116-N139 PolarHBondContact N-OD1 2.85Å
117	I	97.3	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.			trans	-66.5	118.8	-172.9	-56.9	171.7	0	0	0	109.3	V93 V96 L112 N115 V119 N139 R140 L141	V93-I117 HydrophobicContact CB-CG1 4.33Å; V93-I117 HydrophobicContact CG1-CD1 4.25Å; V93-I117 HydrophobicContact CG1-CG1 3.98Å; V93-I117 WeakPolarHBondContact O-CG1 3.18Å; V93-I117 PolarHBondContact O-N 3.44Å; V93-I117 VanDerWaalsContact O-N 3.15Å; V96-I117 HydrophobicContact CG2-CD1 4.01Å; V96-I117 HydrophobicContact CG2-CG1 4.38Å; L112-I117 HydrophobicContact CB-CD1 3.97Å; L112-I117 HydrophobicContact CD1-CD1 4.22Å; N115-I117 HydrophobicContact CB-CD1 4.32Å; N115-I117 HydrophobicContact CB-CG1 4.11Å; I117-V119 VanDerWaalsContact CG2-O 3.31Å; I117-V119 WeakPolarHBondContact CG2-O 3.43Å; I117-N139 WeakPolarHBondContact CB-OD1 3.49Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.43Å; I117-N139 PolarHBondContact N-OD1 2.89Å; I117-R140 CarbonylContact O-C 3.59Å; I117-R140 VanDerWaalsContact O-CA 3.3Å; I117-R140 WeakPolarHBondContact O-CA 3.37Å; I117-R140 PolarHBondContact O-N 3.38Å; I117-L141 HydrophobicContact CG2-CD2 3.92Å; I117-L141 PolarHBondContact O-N 3.06Å
118	S	94.7	Very high	95.1	Very high	61 Å²	61	31.2 Å²	31.2	43%	0.427	16%	0.163	S	C	.	.	S	Bend	trans	-91.9	-29.5	176.6	56.6	0	0	0	0	113.4	M116	M116-S118 PolarHBondContact O-N 3.42Å
119	V	94.7	Very high	94.9	Very high	101 Å²	101	32 Å²	32	61%	0.612	17%	0.173	S	C	*	.			trans	-137.2	123.9	176.9	-177.8	0	0	0	0	108.4	I117	I117-V119 VanDerWaalsContact CG2-O 3.31Å; I117-V119 WeakPolarHBondContact CG2-O 3.43Å
120	F	95.4	Very high	94.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.196	C	C	.	.			trans	-94.5	136.7	171.6	178.6	-97.1	0	0	0	109.8	F101 L110 L112 W122 I125 L134 L136 L141	F101-F120 HydrophobicContact CE2-CE2 4.03Å; F101-F120 HydrophobicContact CE2-CZ 4.41Å; L110-F120 HydrophobicContact CD2-CE2 4.41Å; L110-F120 HydrophobicContact CD2-CZ 4.36Å; L112-F120 HydrophobicContact CD1-CD2 3.97Å; L112-F120 HydrophobicContact CD1-CE2 3.58Å; F120-W122 VanDerWaalsContact C-N 3.33Å; F120-W122 HydrophobicContact CB-CZ2 4.29Å; F120-W122 AromaticContact CD1-CD2 3.72Å; F120-W122 HydrophobicContact CD1-CD2 3.72Å; F120-W122 AromaticContact CD1-CE3 3.71Å; F120-W122 HydrophobicContact CD1-CE3 3.71Å; F120-W122 HydrophobicContact CD1-CG 4.17Å; F120-W122 HydrophobicContact CD1-CH2 4.34Å; F120-W122 HydrophobicContact CD1-CZ2 4.36Å; F120-W122 HydrophobicContact CD1-CZ3 4.03Å; F120-W122 HydrophobicContact CE1-CD2 4.46Å; F120-W122 HydrophobicContact CE1-CE3 4.1Å; F120-W122 HydrophobicContact CE1-CZ3 4.45Å; F120-W122 PolarHBondContact O-N 2.85Å; F120-W122 PolarHBondContact O-NE1 3.02Å; F120-I125 HydrophobicContact CE1-CD1 4.1Å; F120-I125 HydrophobicContact CE1-CG1 4.03Å; F120-L134 HydrophobicContact CZ-CD1 4.47Å; F120-L136 HydrophobicContact CD1-CD1 4.49Å; F120-L136 HydrophobicContact CD2-CD1 4.3Å; F120-L136 HydrophobicContact CD2-CD2 3.81Å; F120-L136 HydrophobicContact CE2-CD2 4.35Å; F120-L136 HydrophobicContact CG-CD1 4.2Å; F120-L136 HydrophobicContact CG-CD2 4.34Å; F120-L141 HydrophobicContact CB-CD2 3.91Å
121	P	94.4	Very high	94.6	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.091	20%	0.197	C	C	.	.			trans	-76.4	81.7	178.4	30.7	-35.1	0	0	0	110.9	V96 T98 D123 S124	V96-P121 HydrophobicContact CB-CG 4.18Å; V96-P121 HydrophobicContact CG1-CG 3.79Å; T98-P121 HydrophobicContact CG2-CB 4.08Å; P121-D123 PolarHBondContact O-N 2.76Å; P121-D123 VanDerWaalsContact O-N 3.16Å; P121-S124 VanDerWaalsContact O-CB 3.26Å; P121-S124 WeakPolarHBondContact O-CB 3.29Å; P121-S124 PolarHBondContact O-N 3.39Å; P121-S124 PolarHBondContact O-OG 3.37Å
122	W	92.7	Very high	94.3	Very high	13 Å²	13	40.3 Å²	40.3	5%	0.049	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53.8	-34.4	-176.4	-63.6	103.3	0	0	0	114.3	F120 S124 I125 L134 L136 V144 A145 A148 L160	F120-W122 VanDerWaalsContact C-N 3.33Å; F120-W122 HydrophobicContact CB-CZ2 4.29Å; F120-W122 AromaticContact CD1-CD2 3.72Å; F120-W122 HydrophobicContact CD1-CD2 3.72Å; F120-W122 AromaticContact CD1-CE3 3.71Å; F120-W122 HydrophobicContact CD1-CE3 3.71Å; F120-W122 HydrophobicContact CD1-CG 4.17Å; F120-W122 HydrophobicContact CD1-CH2 4.34Å; F120-W122 HydrophobicContact CD1-CZ2 4.36Å; F120-W122 HydrophobicContact CD1-CZ3 4.03Å; F120-W122 HydrophobicContact CE1-CD2 4.46Å; F120-W122 HydrophobicContact CE1-CE3 4.1Å; F120-W122 HydrophobicContact CE1-CZ3 4.45Å; F120-W122 PolarHBondContact O-N 2.85Å; F120-W122 PolarHBondContact O-NE1 3.02Å; W122-S124 PolarHBondContact O-N 3.3Å; W122-S124 VanDerWaalsContact O-N 3.17Å; W122-I125 HydrophobicContact CE3-CD1 3.96Å; W122-I125 HydrophobicContact CZ3-CD1 4.48Å; W122-I125 WeakPolarHBondContact O-CG1 3.34Å; W122-I125 PolarHBondContact O-N 3.16Å; W122-L134 HydrophobicContact CZ3-CD2 4.36Å; W122-L136 HydrophobicContact CH2-CD1 4.07Å; W122-L136 HydrophobicContact CZ3-CD1 4.49Å; W122-V144 HydrophobicContact CD2-CG1 4.28Å; W122-V144 HydrophobicContact CE3-CG1 4.28Å; W122-V144 HydrophobicContact CH2-CB 4.35Å; W122-V144 HydrophobicContact CH2-CG1 3.91Å; W122-V144 HydrophobicContact CH2-CG2 3.92Å; W122-V144 HydrophobicContact CZ2-CB 4.02Å; W122-V144 HydrophobicContact CZ2-CG1 3.88Å; W122-V144 HydrophobicContact CZ2-CG2 3.8Å; W122-V144 HydrophobicContact CZ3-CG1 4.1Å; W122-A145 HydrophobicContact CB-CB 4.38Å; W122-A145 HydrophobicContact CG-CB 3.98Å; W122-A148 HydrophobicContact CB-CB 3.9Å; W122-A148 HydrophobicContact CD2-CB 3.89Å; W122-A148 HydrophobicContact CE3-CB 3.56Å; W122-A148 HydrophobicContact CG-CB 4.06Å; W122-A148 HydrophobicContact CZ3-CB 4.44Å; W122-L160 HydrophobicContact CH2-CD2 4.07Å
123	D	90.8	Very high	94.2	Very high	81 Å²	81	41.4 Å²	41.4	43%	0.433	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.2	-25.1	173.7	-70.8	-50.7	0	0	0	114.2	P121 I125 K126	P121-D123 PolarHBondContact O-N 2.76Å; P121-D123 VanDerWaalsContact O-N 3.16Å; D123-I125 PolarHBondContact O-N 2.63Å; D123-K126 WeakPolarHBondContact O-CD 3.37Å; D123-K126 WeakPolarHBondContact O-CG 3.32Å; D123-K126 PolarHBondContact O-N 3.01Å
124	S	92.4	Very high	94.2	Very high	2 Å²	2	41 Å²	41	1%	0.014	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-68.8	-18.4	-177.9	68.8	0	0	0	0	113.3	P121 W122 K126 E127	P121-S124 VanDerWaalsContact O-CB 3.26Å; P121-S124 WeakPolarHBondContact O-CB 3.29Å; P121-S124 PolarHBondContact O-N 3.39Å; P121-S124 PolarHBondContact O-OG 3.37Å; W122-S124 PolarHBondContact O-N 3.3Å; W122-S124 VanDerWaalsContact O-N 3.17Å; S124-K126 PolarHBondContact O-N 3.16Å; S124-K126 VanDerWaalsContact O-N 3.16Å; S124-E127 WeakPolarHBondContact O-CB 3.48Å; S124-E127 PolarHBondContact O-N 3.18Å
125	I	92.3	Very high	94.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.1	-25.2	178.2	-53.3	173.4	0	0	0	111.1	F120 W122 D123 E127 M128 L131 L134 Y151 L152	F120-I125 HydrophobicContact CE1-CD1 4.1Å; F120-I125 HydrophobicContact CE1-CG1 4.03Å; W122-I125 HydrophobicContact CE3-CD1 3.96Å; W122-I125 HydrophobicContact CZ3-CD1 4.48Å; W122-I125 WeakPolarHBondContact O-CG1 3.34Å; W122-I125 PolarHBondContact O-N 3.16Å; D123-I125 PolarHBondContact O-N 2.63Å; I125-E127 PolarHBondContact O-N 2.97Å; I125-M128 CarbonylContact O-C 3.33Å; I125-M128 WeakPolarHBondContact O-CA 3.31Å; I125-M128 PolarHBondContact O-N 2.95Å; I125-L131 HydrophobicContact CG2-CD2 4.2Å; I125-L134 HydrophobicContact CD1-CD2 4.26Å; I125-Y151 HydrophobicContact CB-CG 4.43Å; I125-L152 HydrophobicContact CD1-CD2 3.94Å
126	K	91.7	Very high	94.3	Very high	103 Å²	103	40 Å²	40	45%	0.448	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.2	-27.8	173.3	82.1	-164.5	170.3	-162.3	0	113.9	D123 S124 M128 Y151	D123-K126 WeakPolarHBondContact O-CD 3.37Å; D123-K126 WeakPolarHBondContact O-CG 3.32Å; D123-K126 PolarHBondContact O-N 3.01Å; S124-K126 PolarHBondContact O-N 3.16Å; S124-K126 VanDerWaalsContact O-N 3.16Å; K126-M128 VanDerWaalsContact C-N 3.27Å; K126-Y151 HydrophobicContact CB-CD1 4.1Å; K126-Y151 HydrophobicContact CB-CE1 3.54Å; K126-Y151 HydrophobicContact CB-CE2 4.11Å
127	E	92.8	Very high	94.3	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.192	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-79.6	-14.3	178.4	-55.4	-59.4	145.9	0	0	112.1	F101 Y102 L104 K105 S124 I125 P129	F101-E127 WeakPolarHBondContact O-CB 3.46Å; Y102-E127 HydrophobicContact CD2-CG 4.18Å; Y102-E127 VanDerWaalsContact CD2-OE2 3.24Å; Y102-E127 WeakPolarHBondContact CD2-OE2 3.36Å; Y102-E127 WeakPolarHBondContact CE2-OE2 3.17Å; L104-E127 CarbonylContact C-O 3.52Å; K105-E127 PolarHBondContact N-O 2.84Å; S124-E127 WeakPolarHBondContact O-CB 3.48Å; S124-E127 PolarHBondContact O-N 3.18Å; I125-E127 PolarHBondContact O-N 2.97Å; E127-P129 VanDerWaalsContact O-CD 3.28Å; E127-P129 WeakPolarHBondContact O-CD 3.48Å
128	M	94.1	Very high	94.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.215	C	C	.	.			trans	-119.9	54.5	-175.2	-60.1	178	-73.5	0	0	111.6	F101 L104 L107 L110 I125 K126 R130 L131	F101-M128 HydrophobicContact CB-CE 3.8Å; F101-M128 HydrophobicContact CB-CG 4.47Å; F101-M128 HydrophobicContact CB-SD 3.79Å; F101-M128 HydrophobicContact CD2-CE 4.01Å; F101-M128 HydrophobicContact CG-CE 3.98Å; F101-M128 HydrophobicContact CG-SD 4.11Å; L104-M128 HydrophobicContact CB-CG 3.9Å; L107-M128 HydrophobicContact CB-CG 4.41Å; L107-M128 HydrophobicContact CD2-CG 4.26Å; L107-M128 HydrophobicContact CD2-SD 3.45Å; L107-M128 WeakPolarHBondContact CD2-SD 3.42Å; L110-M128 HydrophobicContact CD2-CE 3.97Å; L110-M128 HydrophobicContact CD2-SD 4.09Å; I125-M128 CarbonylContact O-C 3.33Å; I125-M128 WeakPolarHBondContact O-CA 3.31Å; I125-M128 PolarHBondContact O-N 2.95Å; K126-M128 VanDerWaalsContact C-N 3.27Å; M128-R130 PolarHBondContact O-N 3.28Å; M128-L131 HydrophobicContact CB-CB 4.19Å; M128-L131 WeakPolarHBondContact O-CB 3.38Å; M128-L131 PolarHBondContact O-N 3.26Å
129	P	92	Very high	94.4	Very high	69 Å²	69	39.7 Å²	39.7	45%	0.448	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-7.1	-171.8	29.1	-38.2	0	0	0	115.1	E127 N154	E127-P129 VanDerWaalsContact O-CD 3.28Å; E127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-N154 PolarHBondContact O-ND2 2.78Å; P129-N154 VanDerWaalsContact O-ND2 3.11Å
130	R	93.2	Very high	94.5	Very high	145 Å²	145	41.5 Å²	41.5	55%	0.547	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.5	177.5	-73.2	-176.3	168	173.8	-0.2	113.9	K105 L107 H108 M128 K132	K105-R130 WeakPolarHBondContact O-CD 3.44Å; L107-R130 CarbonylContact O-C 3.53Å; H108-R130 PolarHBondContact ND1-O 2.7Å; M128-R130 PolarHBondContact O-N 3.28Å; R130-K132 PolarHBondContact O-N 3.49Å
131	L	94.6	Very high	94.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	19%	0.192	C	C	.	.			trans	-64.7	125.4	179	-169.8	68.6	0	0	0	110.3	L107 L110 I125 M128 T133 L134 I155	L107-L131 HydrophobicContact CD2-CD1 4.27Å; L107-L131 WeakPolarHBondContact O-CA 3.33Å; L107-L131 PolarHBondContact O-N 2.81Å; L107-L131 VanDerWaalsContact O-N 3.1Å; L110-L131 HydrophobicContact CB-CD1 3.79Å; I125-L131 HydrophobicContact CG2-CD2 4.2Å; M128-L131 HydrophobicContact CB-CB 4.19Å; M128-L131 WeakPolarHBondContact O-CB 3.38Å; M128-L131 PolarHBondContact O-N 3.26Å; L131-T133 WeakPolarHBondContact CD1-O 3.44Å; L131-L134 HydrophobicContact CD2-CB 4.29Å; L131-I155 HydrophobicContact CD2-CD1 4.03Å; L131-I155 HydrophobicContact CG-CD1 4.39Å
132	K	93.1	Very high	94.6	Very high	103 Å²	103	44.6 Å²	44.6	45%	0.448	21%	0.211	S	C	.	.			trans	-113.6	-28.8	176.9	-72.8	-173.9	178	-177.2	0	112.5	H108 R130 I155 T156 Y157	H108-K132 PolarHBondContact O-N 2.65Å; R130-K132 PolarHBondContact O-N 3.49Å; K132-I155 WeakPolarHBondContact O-CG2 3.39Å; K132-T156 PolarHBondContact O-N 2.63Å; K132-T156 PolarHBondContact O-OG1 2.97Å; K132-T156 VanDerWaalsContact O-OG1 3.06Å; K132-Y157 PolarHBondContact O-N 3.43Å
133	T	95.4	Very high	94.6	Very high	24 Å²	24	47.2 Å²	47.2	15%	0.147	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.7	-174.3	-56.5	0	0	0	0	108.8	H108 E109 L110 L131 Y157	H108-T133 PolarHBondContact O-N 3.16Å; H108-T133 VanDerWaalsContact O-N 3.08Å; E109-T133 WeakPolarHBondContact CA-O 3.1Å; E109-T133 HydrophobicContact CG-CG2 3.76Å; L110-T133 PolarHBondContact N-O 2.93Å; L131-T133 WeakPolarHBondContact CD1-O 3.44Å; T133-Y157 WeakPolarHBondContact CA-O 3.27Å; T133-Y157 HydrophobicContact CG2-CD1 3.65Å; T133-Y157 HydrophobicContact CG2-CE1 4.31Å; T133-Y157 HydrophobicContact CG2-CG 4.05Å
134	L	96.9	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114	171.8	177	57.2	0	0	0	108.8	L110 F120 W122 I125 L131 L136 I155 Y157 L158 D159	L110-L134 HydrophobicContact CB-CD1 4.21Å; L110-L134 HydrophobicContact CD2-CD1 4Å; L110-L134 HydrophobicContact CG-CD1 4.13Å; L110-L134 WeakPolarHBondContact O-CA 3.45Å; F120-L134 HydrophobicContact CZ-CD1 4.47Å; W122-L134 HydrophobicContact CZ3-CD2 4.36Å; I125-L134 HydrophobicContact CD1-CD2 4.26Å; L131-L134 HydrophobicContact CD2-CB 4.29Å; L134-L136 HydrophobicContact CD1-CD1 4.05Å; L134-L136 HydrophobicContact CD1-CG 4.12Å; L134-L136 HydrophobicContact CD2-CD1 3.97Å; L134-L136 HydrophobicContact CG-CD1 3.94Å; L134-L136 HydrophobicContact CG-CG 4.32Å; L134-I155 HydrophobicContact CB-CD1 3.91Å; L134-I155 HydrophobicContact CD2-CD1 4.24Å; L134-Y157 PolarHBondContact N-O 2.72Å; L134-L158 HydrophobicContact CB-CD1 4.09Å; L134-L158 HydrophobicContact CD2-CD1 3.93Å; L134-L158 HydrophobicContact CG-CD1 4.04Å; L134-L158 WeakPolarHBondContact O-CA 3.33Å; L134-D159 PolarHBondContact O-N 2.84Å
135	D	97.6	Very high	94.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.4	177.9	-158.9	-27.9	0	0	0	110	L110 R111 L112 H137 Y157	L110-D135 PolarHBondContact O-N 3.05Å; R111-D135 HydrophobicContact CB-CB 4.04Å; R111-D135 HydrophobicContact CG-CB 3.76Å; R111-D135 IonicContact NH1-OD2 3.75Å; R111-D135 PolarHBondContact NH1-OD2 2.9Å; L112-D135 PolarHBondContact N-O 2.78Å; D135-H137 WeakPolarHBondContact OD1-CB 3.22Å; D135-H137 IonicContact OD1-CD2 2.7Å; D135-H137 PolarHBondContact OD1-CD2 2.73Å; D135-H137 IonicContact OD1-CG 2.65Å; D135-H137 PolarHBondContact OD1-N 3.02Å; D135-H137 VanDerWaalsContact OD1-N 3.09Å; D135-H137 IonicContact OD2-CD2 2.65Å; D135-Y157 HydrophobicContact CB-CE1 4.47Å
136	L	97.2	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.			trans	-125.6	20.6	177.8	-75.4	160.1	0	0	0	110.4	L112 F120 W122 L134 N139 L141 D159 L160 N163	L112-L136 HydrophobicContact CB-CD2 3.96Å; L112-L136 HydrophobicContact CD1-CD2 3.96Å; F120-L136 HydrophobicContact CD1-CD1 4.49Å; F120-L136 HydrophobicContact CD2-CD1 4.3Å; F120-L136 HydrophobicContact CD2-CD2 3.81Å; F120-L136 HydrophobicContact CE2-CD2 4.35Å; F120-L136 HydrophobicContact CG-CD1 4.2Å; F120-L136 HydrophobicContact CG-CD2 4.34Å; W122-L136 HydrophobicContact CH2-CD1 4.07Å; W122-L136 HydrophobicContact CZ3-CD1 4.49Å; L134-L136 HydrophobicContact CD1-CD1 4.05Å; L134-L136 HydrophobicContact CD1-CG 4.12Å; L134-L136 HydrophobicContact CD2-CD1 3.97Å; L134-L136 HydrophobicContact CG-CD1 3.94Å; L134-L136 HydrophobicContact CG-CG 4.32Å; L136-N139 PolarHBondContact O-ND2 2.88Å; L136-L141 HydrophobicContact CB-CD1 4Å; L136-L141 HydrophobicContact CD1-CD1 4.03Å; L136-L141 HydrophobicContact CD2-CD1 4.3Å; L136-L141 HydrophobicContact CG-CD1 4.35Å; L136-D159 CarbonylContact C-O 3.6Å; L136-D159 WeakPolarHBondContact CA-O 3.49Å; L136-D159 WeakPolarHBondContact CB-O 3.33Å; L136-D159 PolarHBondContact N-O 2.94Å; L136-L160 HydrophobicContact CB-CD2 4.06Å; L136-L160 HydrophobicContact CD1-CD2 3.93Å; L136-N163 PolarHBondContact O-ND2 3.42Å
137	H	96.7	Very high	93.9	Very high	41 Å²	41	48.1 Å²	48.1	19%	0.19	25%	0.246	C	C	.	.			trans	-62	152.8	-175.2	87.2	62.5	0	0	0	112.3	Y90 D113 G114 D135 N139 D159 S161	Y90-H137 PolarHBondContact OH-CE1 2.9Å; D113-H137 VanDerWaalsContact CA-O 3.25Å; D113-H137 WeakPolarHBondContact CA-O 3.46Å; D113-H137 HydrophobicContact CB-CB 4.5Å; D113-H137 VanDerWaalsContact CB-CD2 3.5Å; D113-H137 WeakPolarHBondContact CB-CD2 3.31Å; D113-H137 IonicContact OD2-CE1 2.98Å; D113-H137 IonicContact OD2-NE2 2.82Å; G114-H137 PolarHBondContact N-O 3.08Å; D135-H137 WeakPolarHBondContact OD1-CB 3.22Å; D135-H137 IonicContact OD1-CD2 2.7Å; D135-H137 PolarHBondContact OD1-CD2 2.73Å; D135-H137 IonicContact OD1-CG 2.65Å; D135-H137 PolarHBondContact OD1-N 3.02Å; D135-H137 VanDerWaalsContact OD1-N 3.09Å; D135-H137 IonicContact OD2-CD2 2.65Å; H137-N139 PolarHBondContact O-ND2 2.91Å; H137-N139 VanDerWaalsContact O-ND2 3.16Å; H137-D159 HydrophobicContact CB-CB 4.2Å; H137-S161 WeakPolarHBondContact CA-O 3.24Å
138	N	97.1	Very high	93.7	Very high	80 Å²	80	46.2 Å²	46.2	43%	0.428	24%	0.237	S	C	.	.	S	Bend	trans	51.2	62	178.4	-172.5	29.9	0	0	0	112.9	G114 N115 S161 S162	G114-N138 WeakPolarHBondContact CA-O 3.5Å; G114-N138 PolarHBondContact N-O 2.9Å; N115-N138 PolarHBondContact N-O 2.88Å; N138-S161 PolarHBondContact N-O 3.34Å; N138-S162 WeakPolarHBondContact CA-O 3.41Å
139	N	98.1	Very high	93.3	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.032	24%	0.243	C	C	.	.	S	Bend	trans	-131.9	-162.4	178.5	-92.5	-79.8	0	0	0	110.1	L112 N115 M116 I117 L136 H137 L141 S162 N163	L112-N139 PolarHBondContact O-ND2 2.88Å; N115-N139 WeakPolarHBondContact CA-OD1 3.45Å; N115-N139 VanDerWaalsContact CB-OD1 3.26Å; N115-N139 WeakPolarHBondContact CB-OD1 3.41Å; N115-N139 PolarHBondContact O-OD1 3.49Å; M116-N139 PolarHBondContact N-OD1 2.85Å; I117-N139 WeakPolarHBondContact CB-OD1 3.49Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.43Å; I117-N139 PolarHBondContact N-OD1 2.89Å; L136-N139 PolarHBondContact O-ND2 2.88Å; H137-N139 PolarHBondContact O-ND2 2.91Å; H137-N139 VanDerWaalsContact O-ND2 3.16Å; N139-L141 HydrophobicContact CB-CG 4.49Å; N139-S162 PolarHBondContact N-O 3.18Å; N139-N163 WeakPolarHBondContact CA-OD1 3.5Å; N139-N163 WeakPolarHBondContact CB-OD1 3.08Å
140	R	97.1	Very high	92.9	Very high	140 Å²	140	48.1 Å²	48.1	53%	0.528	25%	0.248	S	C	.	.			trans	-122.1	20.6	-176.4	-59.1	-177.2	-176.7	-84.4	-3.4	113	I117 T142 N163	I117-R140 CarbonylContact O-C 3.59Å; I117-R140 VanDerWaalsContact O-CA 3.3Å; I117-R140 WeakPolarHBondContact O-CA 3.37Å; I117-R140 PolarHBondContact O-N 3.38Å; R140-T142 PolarHBondContact O-N 2.83Å; R140-N163 PolarHBondContact N-OD1 3.39Å
141	L	97.3	Very high	92.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.239	C	C	.	.			trans	-61.5	129.3	-176.8	-59.9	174.5	0	0	0	111.1	I117 F120 L136 N139 L160 N163 K164 L165	I117-L141 HydrophobicContact CG2-CD2 3.92Å; I117-L141 PolarHBondContact O-N 3.06Å; F120-L141 HydrophobicContact CB-CD2 3.91Å; L136-L141 HydrophobicContact CB-CD1 4Å; L136-L141 HydrophobicContact CD1-CD1 4.03Å; L136-L141 HydrophobicContact CD2-CD1 4.3Å; L136-L141 HydrophobicContact CG-CD1 4.35Å; N139-L141 HydrophobicContact CB-CG 4.49Å; L141-L160 HydrophobicContact CD1-CD2 4.09Å; L141-N163 HydrophobicContact CB-CB 4.29Å; L141-N163 VanDerWaalsContact CB-OD1 3.26Å; L141-N163 WeakPolarHBondContact CB-OD1 3.46Å; L141-N163 VanDerWaalsContact CG-OD1 3.29Å; L141-N163 WeakPolarHBondContact CG-OD1 3.25Å; L141-N163 PolarHBondContact N-OD1 2.98Å; L141-K164 CarbonylContact O-C 3.18Å; L141-K164 VanDerWaalsContact O-CA 3.24Å; L141-K164 WeakPolarHBondContact O-CA 3.44Å; L141-K164 PolarHBondContact O-N 3.34Å; L141-L165 HydrophobicContact CB-CD2 4.15Å; L141-L165 PolarHBondContact O-N 3.46Å
142	T	94.4	Very high	92	Very high	80 Å²	80	45.5 Å²	45.5	49%	0.491	24%	0.238	S	C	.	.			trans	-98.6	-27.2	-179.6	52.4	0	0	0	0	113.6	R140 K164	R140-T142 PolarHBondContact O-N 2.83Å; T142-K164 HydrophobicContact CG2-CB 4.47Å
143	S	92.8	Very high	91.4	Very high	68 Å²	68	44.1 Å²	44.1	48%	0.476	24%	0.239	S	C	.	.			trans	-151.4	154.9	176.4	59.9	0	0	0	0	112.8
144	V	93.1	Very high	90.7	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.042	25%	0.254	C	S	.	.			trans	-96.1	128.2	163.1	-179.6	0	0	0	0	107.5	W122 A148 L152 L160 L165 L168 P169 L172	W122-V144 HydrophobicContact CD2-CG1 4.28Å; W122-V144 HydrophobicContact CE3-CG1 4.28Å; W122-V144 HydrophobicContact CH2-CB 4.35Å; W122-V144 HydrophobicContact CH2-CG1 3.91Å; W122-V144 HydrophobicContact CH2-CG2 3.92Å; W122-V144 HydrophobicContact CZ2-CB 4.02Å; W122-V144 HydrophobicContact CZ2-CG1 3.88Å; W122-V144 HydrophobicContact CZ2-CG2 3.8Å; W122-V144 HydrophobicContact CZ3-CG1 4.1Å; V144-A148 HydrophobicContact CG1-CB 4.28Å; V144-L152 HydrophobicContact CG1-CD1 4.48Å; V144-L160 HydrophobicContact CG2-CD1 3.79Å; V144-L165 HydrophobicContact CG2-CD1 4.43Å; V144-L165 HydrophobicContact CG2-CD2 4.4Å; V144-L168 HydrophobicContact CB-CD2 4.22Å; V144-L168 HydrophobicContact CG2-CD2 3.62Å; V144-P169 HydrophobicContact CB-CG 4.46Å; V144-P169 VanDerWaalsContact O-CG 3.25Å; V144-P169 WeakPolarHBondContact O-CG 3.43Å; V144-L172 HydrophobicContact CG1-CD2 4.15Å
145	A	89.8	Confident	90.4	Very high	25 Å²	25	47.2 Å²	47.2	21%	0.207	25%	0.254	C	S	.	.			trans	-84.3	142.9	-175.5	0	0	0	0	0	111.6	W122 E147 A148	W122-A145 HydrophobicContact CB-CB 4.38Å; W122-A145 HydrophobicContact CG-CB 3.98Å; A145-E147 WeakPolarHBondContact CB-OE2 3.45Å; A145-E147 PolarHBondContact O-N 3.17Å; A145-E147 VanDerWaalsContact O-N 3.14Å; A145-A148 VanDerWaalsContact O-CB 3.25Å; A145-A148 WeakPolarHBondContact O-CB 3.42Å; A145-A148 PolarHBondContact O-N 3.23Å; A145-A148 VanDerWaalsContact O-N 3.08Å
146	P	84.8	Confident	90	Very high	77 Å²	77	48.7 Å²	48.7	50%	0.5	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57.9	-26.2	-177.8	-25.8	35.7	0	0	0	114.8	A148 I149	P146-A148 PolarHBondContact O-N 3.26Å; P146-I149 HydrophobicContact CB-CD1 4.27Å; P146-I149 VanDerWaalsContact O-CB 3.3Å; P146-I149 WeakPolarHBondContact O-CB 3.27Å; P146-I149 WeakPolarHBondContact O-CD1 3.35Å; P146-I149 WeakPolarHBondContact O-CG1 3.47Å; P146-I149 PolarHBondContact O-N 3.31Å
147	E	85.2	Confident	89.8	Confident	100 Å²	100	51.7 Å²	51.7	47%	0.467	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63	-20.4	178.5	-59.5	70.4	-153.1	0	0	112.1	A145 P150 Y151	A145-E147 WeakPolarHBondContact CB-OE2 3.45Å; A145-E147 PolarHBondContact O-N 3.17Å; A145-E147 VanDerWaalsContact O-N 3.14Å; E147-P150 WeakPolarHBondContact O-CD 3.43Å; E147-Y151 WeakPolarHBondContact O-CD2 3.36Å
148	A	86.8	Confident	89.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-67.1	-33.9	173	0	0	0	0	0	113.1	W122 V144 A145 P146 Y151 L152	W122-A148 HydrophobicContact CB-CB 3.9Å; W122-A148 HydrophobicContact CD2-CB 3.89Å; W122-A148 HydrophobicContact CE3-CB 3.56Å; W122-A148 HydrophobicContact CG-CB 4.06Å; W122-A148 HydrophobicContact CZ3-CB 4.44Å; V144-A148 HydrophobicContact CG1-CB 4.28Å; A145-A148 VanDerWaalsContact O-CB 3.25Å; A145-A148 WeakPolarHBondContact O-CB 3.42Å; A145-A148 PolarHBondContact O-N 3.23Å; A145-A148 VanDerWaalsContact O-N 3.08Å; P146-A148 PolarHBondContact O-N 3.26Å; A148-Y151 PolarHBondContact O-N 2.92Å; A148-L152 HydrophobicContact CB-CD1 3.59Å; A148-L152 HydrophobicContact CB-CG 3.97Å; A148-L152 WeakPolarHBondContact O-CG 3.34Å; A148-L152 PolarHBondContact O-N 3.31Å
149	I	86.1	Confident	89.6	Confident	27 Å²	27	46.4 Å²	46.4	14%	0.138	25%	0.248	C	C	.	.	H	α-helix	trans	-50.9	-49.3	-167.4	-63.1	169.9	0	0	0	113.8	P146 Y151 L152 P169 D171 L172 I175	P146-I149 HydrophobicContact CB-CD1 4.27Å; P146-I149 VanDerWaalsContact O-CB 3.3Å; P146-I149 WeakPolarHBondContact O-CB 3.27Å; P146-I149 WeakPolarHBondContact O-CD1 3.35Å; P146-I149 WeakPolarHBondContact O-CG1 3.47Å; P146-I149 PolarHBondContact O-N 3.31Å; I149-Y151 PolarHBondContact O-N 3.07Å; I149-Y151 VanDerWaalsContact O-N 3.17Å; I149-L152 PolarHBondContact O-N 3.01Å; I149-P169 HydrophobicContact CD1-CB 4.17Å; I149-D171 HydrophobicContact CD1-CB 4.02Å; I149-L172 HydrophobicContact CD1-CB 4.48Å; I149-L172 HydrophobicContact CG1-CB 4.21Å; I149-L172 HydrophobicContact CG1-CD1 4.34Å; I149-I175 HydrophobicContact CG2-CG2 3.64Å
150	P	85	Confident	89.6	Confident	84 Å²	84	46.1 Å²	46.1	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-19.6	178.9	24.4	-35.8	0	0	0	114.6	E147	E147-P150 WeakPolarHBondContact O-CD 3.43Å
151	Y	83.2	Confident	89.5	Confident	90 Å²	90	39.8 Å²	39.8	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-100.5	-27	-178	-52.4	-63.6	0	0	0	113.1	I125 K126 E147 A148 I149 V153	I125-Y151 HydrophobicContact CB-CG 4.43Å; K126-Y151 HydrophobicContact CB-CD1 4.1Å; K126-Y151 HydrophobicContact CB-CE1 3.54Å; K126-Y151 HydrophobicContact CB-CE2 4.11Å; E147-Y151 WeakPolarHBondContact O-CD2 3.36Å; A148-Y151 PolarHBondContact O-N 2.92Å; I149-Y151 PolarHBondContact O-N 3.07Å; I149-Y151 VanDerWaalsContact O-N 3.17Å; Y151-V153 PolarHBondContact O-N 3.37Å
152	L	84.9	Confident	89.5	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-11	177.4	-66.7	177.5	0	0	0	113.7	I125 V144 A148 I149 N154 I155 L172 I175	I125-L152 HydrophobicContact CD1-CD2 3.94Å; V144-L152 HydrophobicContact CG1-CD1 4.48Å; A148-L152 HydrophobicContact CB-CD1 3.59Å; A148-L152 HydrophobicContact CB-CG 3.97Å; A148-L152 WeakPolarHBondContact O-CG 3.34Å; A148-L152 PolarHBondContact O-N 3.31Å; I149-L152 PolarHBondContact O-N 3.01Å; L152-N154 PolarHBondContact O-N 3.06Å; L152-I155 HydrophobicContact CD2-CD1 3.59Å; L152-I155 HydrophobicContact CD2-CG1 4.42Å; L152-I155 PolarHBondContact O-N 3.42Å; L152-I155 VanDerWaalsContact O-N 3.17Å; L152-L172 HydrophobicContact CB-CD1 4.18Å; L152-L172 HydrophobicContact CD1-CD1 3.51Å; L152-L172 HydrophobicContact CD1-CD2 4.27Å; L152-L172 HydrophobicContact CG-CD1 4.49Å; L152-I175 HydrophobicContact CB-CD1 3.99Å
153	V	80.8	Confident	89.7	Confident	74 Å²	74	37.7 Å²	37.7	45%	0.448	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.8	176.9	-173.7	0	0	0	0	113	Y151 I175	Y151-V153 PolarHBondContact O-N 3.37Å; V153-I175 HydrophobicContact CG2-CB 4.2Å; V153-I175 HydrophobicContact CG2-CD1 4.12Å; V153-I175 HydrophobicContact CG2-CG2 4Å
154	N	81.1	Confident	89.9	Confident	88 Å²	88	39.3 Å²	39.3	47%	0.471	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10	-178.2	-74.1	4.5	0	0	0	113.8	P129 L152	P129-N154 PolarHBondContact O-ND2 2.78Å; P129-N154 VanDerWaalsContact O-ND2 3.11Å; L152-N154 PolarHBondContact O-N 3.06Å
155	I	88.8	Confident	90	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.209	C	C	.	.			trans	-83.2	130.7	-171	-62.5	-163.2	0	0	0	111.2	L131 K132 L134 L152 Y157 L158	L131-I155 HydrophobicContact CD2-CD1 4.03Å; L131-I155 HydrophobicContact CG-CD1 4.39Å; K132-I155 WeakPolarHBondContact O-CG2 3.39Å; L134-I155 HydrophobicContact CB-CD1 3.91Å; L134-I155 HydrophobicContact CD2-CD1 4.24Å; L152-I155 HydrophobicContact CD2-CD1 3.59Å; L152-I155 HydrophobicContact CD2-CG1 4.42Å; L152-I155 PolarHBondContact O-N 3.42Å; L152-I155 VanDerWaalsContact O-N 3.17Å; I155-Y157 WeakPolarHBondContact CG2-O 3.26Å; I155-L158 HydrophobicContact CG2-CB 4.1Å
156	T	89.4	Confident	90.2	Very high	33 Å²	33	40.9 Å²	40.9	20%	0.202	22%	0.218	C	C	.	.	S	Bend	trans	-102.6	-18.2	176.7	49.2	0	0	0	0	113.6	K132 Q190 V192 V193	K132-T156 PolarHBondContact O-N 2.63Å; K132-T156 PolarHBondContact O-OG1 2.97Å; K132-T156 VanDerWaalsContact O-OG1 3.06Å; T156-Q190 HydrophobicContact CG2-CG 3.7Å; T156-V192 CarbonylContact O-C 3.2Å; T156-V192 WeakPolarHBondContact O-CA 3.47Å; T156-V193 PolarHBondContact O-N 2.89Å
157	Y	93.1	Very high	90.6	Very high	63 Å²	63	39.3 Å²	39.3	25%	0.247	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	119.7	175.9	-179.1	-75.5	0	0	0	108.9	K132 T133 L134 D135 I155 D159 V193 M224	K132-Y157 PolarHBondContact O-N 3.43Å; T133-Y157 WeakPolarHBondContact CA-O 3.27Å; T133-Y157 HydrophobicContact CG2-CD1 3.65Å; T133-Y157 HydrophobicContact CG2-CE1 4.31Å; T133-Y157 HydrophobicContact CG2-CG 4.05Å; L134-Y157 PolarHBondContact N-O 2.72Å; D135-Y157 HydrophobicContact CB-CE1 4.47Å; I155-Y157 WeakPolarHBondContact CG2-O 3.26Å; Y157-D159 HydrophobicContact CE1-CB 3.89Å; Y157-V193 WeakPolarHBondContact CA-O 3.29Å; Y157-V193 HydrophobicContact CD2-CB 3.99Å; Y157-V193 HydrophobicContact CD2-CG1 4.19Å; Y157-V193 HydrophobicContact CE2-CG1 4.39Å; Y157-M224 HydrophobicContact CD1-CE 4.32Å; Y157-M224 HydrophobicContact CD2-CE 4Å; Y157-M224 HydrophobicContact CE1-CE 3.81Å; Y157-M224 HydrophobicContact CE2-CE 3.44Å; Y157-M224 VanDerWaalsContact CE2-CE 3.44Å; Y157-M224 HydrophobicContact CG-CE 4.41Å
158	L	94.5	Very high	90.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.8	177.3	177.8	59.5	0	0	0	109	L134 I155 L160 W176 V193 L194 G195	L134-L158 HydrophobicContact CB-CD1 4.09Å; L134-L158 HydrophobicContact CD2-CD1 3.93Å; L134-L158 HydrophobicContact CG-CD1 4.04Å; L134-L158 WeakPolarHBondContact O-CA 3.33Å; I155-L158 HydrophobicContact CG2-CB 4.1Å; L158-L160 HydrophobicContact CD1-CD1 4.34Å; L158-L160 HydrophobicContact CD1-CD2 4.25Å; L158-L160 HydrophobicContact CD1-CG 4.05Å; L158-L160 HydrophobicContact CD2-CD1 4.03Å; L158-L160 HydrophobicContact CG-CD1 4.1Å; L158-L160 HydrophobicContact CG-CG 4.06Å; L158-W176 HydrophobicContact CD2-CH2 4.11Å; L158-W176 HydrophobicContact CD2-CZ2 4.43Å; L158-V193 PolarHBondContact N-O 3.08Å; L158-L194 HydrophobicContact CB-CD1 4.12Å; L158-L194 HydrophobicContact CD2-CD1 4Å; L158-L194 HydrophobicContact CG-CD1 4.1Å; L158-L194 WeakPolarHBondContact O-CA 3.43Å; L158-G195 PolarHBondContact O-N 2.85Å
159	D	96.4	Very high	90.9	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.043	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.2	171.5	-154.8	-26.3	0	0	0	110.9	L134 L136 H137 Y157 S161 M224	L134-D159 PolarHBondContact O-N 2.84Å; L136-D159 CarbonylContact C-O 3.6Å; L136-D159 WeakPolarHBondContact CA-O 3.49Å; L136-D159 WeakPolarHBondContact CB-O 3.33Å; L136-D159 PolarHBondContact N-O 2.94Å; H137-D159 HydrophobicContact CB-CB 4.2Å; Y157-D159 HydrophobicContact CE1-CB 3.89Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-N 2.65Å; D159-S161 PolarHBondContact OD1-OG 2.87Å; D159-M224 HydrophobicContact CB-CE 3.88Å; D159-M224 HydrophobicContact CB-SD 4.44Å; D159-M224 VanDerWaalsContact OD2-SD 3.37Å
160	L	96.3	Very high	90.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.202	C	C	.	.			trans	-124.3	15.5	174.2	-63	171.3	0	0	0	111	W122 L136 L141 V144 L158 N163 L165 G195 L196 N199	W122-L160 HydrophobicContact CH2-CD2 4.07Å; L136-L160 HydrophobicContact CB-CD2 4.06Å; L136-L160 HydrophobicContact CD1-CD2 3.93Å; L141-L160 HydrophobicContact CD1-CD2 4.09Å; V144-L160 HydrophobicContact CG2-CD1 3.79Å; L158-L160 HydrophobicContact CD1-CD1 4.34Å; L158-L160 HydrophobicContact CD1-CD2 4.25Å; L158-L160 HydrophobicContact CD1-CG 4.05Å; L158-L160 HydrophobicContact CD2-CD1 4.03Å; L158-L160 HydrophobicContact CG-CD1 4.1Å; L158-L160 HydrophobicContact CG-CG 4.06Å; L160-N163 WeakPolarHBondContact O-CB 3.5Å; L160-N163 PolarHBondContact O-ND2 3.4Å; L160-L165 HydrophobicContact CB-CD1 3.86Å; L160-L165 HydrophobicContact CD1-CD1 4.18Å; L160-G195 CarbonylContact C-O 3.59Å; L160-G195 WeakPolarHBondContact CA-O 3.43Å; L160-G195 PolarHBondContact N-O 3.42Å; L160-L196 HydrophobicContact CB-CD2 4.19Å; L160-L196 HydrophobicContact CD1-CD2 4.44Å; L160-N199 PolarHBondContact O-ND2 3.09Å
161	S	96.6	Very high	90.4	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.049	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	161.2	-178.3	67.1	0	0	0	0	113.1	H137 N138 D159 N163 G195 Q197	H137-S161 WeakPolarHBondContact CA-O 3.24Å; N138-S161 PolarHBondContact N-O 3.34Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-N 2.65Å; D159-S161 PolarHBondContact OD1-OG 2.87Å; S161-N163 PolarHBondContact O-N 2.95Å; S161-N163 VanDerWaalsContact O-N 3.16Å; S161-N163 PolarHBondContact O-ND2 3.36Å; S161-G195 PolarHBondContact N-O 3.45Å; S161-Q197 CarbonylContact C-O 3.32Å; S161-Q197 WeakPolarHBondContact CA-O 3.48Å; S161-Q197 WeakPolarHBondContact CB-O 3.4Å; S161-Q197 PolarHBondContact OG-NE2 2.99Å
162	S	96.7	Very high	90.3	Very high	37 Å²	37	31.3 Å²	31.3	26%	0.259	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	34.7	-178.1	-72.5	0	0	0	0	113.9	N138 N139 Q197 D198	N138-S162 WeakPolarHBondContact CA-O 3.41Å; N139-S162 PolarHBondContact N-O 3.18Å; S162-Q197 PolarHBondContact N-O 3.17Å; S162-D198 WeakPolarHBondContact OG-CB 3.45Å
163	N	98.1	Very high	90.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-105.2	-157.8	176.8	-88.2	-85.6	0	0	0	110.9	L136 N139 R140 L141 L160 S161 L165 N199	L136-N163 PolarHBondContact O-ND2 3.42Å; N139-N163 WeakPolarHBondContact CA-OD1 3.5Å; N139-N163 WeakPolarHBondContact CB-OD1 3.08Å; R140-N163 PolarHBondContact N-OD1 3.39Å; L141-N163 HydrophobicContact CB-CB 4.29Å; L141-N163 VanDerWaalsContact CB-OD1 3.26Å; L141-N163 WeakPolarHBondContact CB-OD1 3.46Å; L141-N163 VanDerWaalsContact CG-OD1 3.29Å; L141-N163 WeakPolarHBondContact CG-OD1 3.25Å; L141-N163 PolarHBondContact N-OD1 2.98Å; L160-N163 WeakPolarHBondContact O-CB 3.5Å; L160-N163 PolarHBondContact O-ND2 3.4Å; S161-N163 PolarHBondContact O-N 2.95Å; S161-N163 VanDerWaalsContact O-N 3.16Å; S161-N163 PolarHBondContact O-ND2 3.36Å; N163-L165 HydrophobicContact CB-CG 4.26Å; N163-N199 VanDerWaalsContact CA-OD1 3.28Å; N163-N199 WeakPolarHBondContact CA-OD1 3.3Å; N163-N199 WeakPolarHBondContact CB-OD1 3.09Å; N163-N199 PolarHBondContact N-OD1 2.78Å; N163-N199 PolarHBondContact O-OD1 3.16Å
164	K	96.9	Very high	90	Very high	101 Å²	101	29.6 Å²	29.6	44%	0.439	16%	0.162	S	C	.	.			trans	-125.2	30.2	179.3	-59.7	-69.3	156.2	-94.8	0	111.4	L141 T142 N199	L141-K164 CarbonylContact O-C 3.18Å; L141-K164 VanDerWaalsContact O-CA 3.24Å; L141-K164 WeakPolarHBondContact O-CA 3.44Å; L141-K164 PolarHBondContact O-N 3.34Å; T142-K164 HydrophobicContact CG2-CB 4.47Å; K164-N199 PolarHBondContact N-OD1 3.47Å
165	L	96.1	Very high	89.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.			trans	-70	127.7	178.4	-57.5	177.8	0	0	0	110.5	L141 V144 L160 N163 L168 N199 P200 W201	L141-L165 HydrophobicContact CB-CD2 4.15Å; L141-L165 PolarHBondContact O-N 3.46Å; V144-L165 HydrophobicContact CG2-CD1 4.43Å; V144-L165 HydrophobicContact CG2-CD2 4.4Å; L160-L165 HydrophobicContact CB-CD1 3.86Å; L160-L165 HydrophobicContact CD1-CD1 4.18Å; N163-L165 HydrophobicContact CB-CG 4.26Å; L165-L168 HydrophobicContact CD1-CD2 4.13Å; L165-N199 HydrophobicContact CB-CB 4.35Å; L165-N199 WeakPolarHBondContact CB-OD1 3.49Å; L165-N199 PolarHBondContact N-OD1 3.11Å; L165-P200 CarbonylContact O-C 3.54Å; L165-P200 VanDerWaalsContact O-CD 3.28Å; L165-P200 WeakPolarHBondContact O-CD 3.27Å; L165-W201 HydrophobicContact CB-CH2 3.64Å; L165-W201 HydrophobicContact CB-CZ2 4.4Å; L165-W201 HydrophobicContact CB-CZ3 3.75Å; L165-W201 HydrophobicContact CD1-CH2 3.91Å; L165-W201 HydrophobicContact CG-CH2 4.44Å
166	T	94.2	Very high	89.1	Confident	65 Å²	65	27.2 Å²	27.2	40%	0.399	15%	0.148	S	C	.	.	S	Bend	trans	-98.9	-28	173.2	56.6	0	0	0	0	112.5	P200 F202	T166-P200 HydrophobicContact CG2-CG 4.37Å; T166-F202 PolarHBondContact O-N 3Å
167	T	92.6	Very high	88	Confident	44 Å²	44	28 Å²	28	27%	0.27	15%	0.154	S	C	.	.			trans	-149.9	160.7	178	-173.7	0	0	0	0	110.4
168	L	90.4	Very high	86.5	Confident	12 Å²	12	27.2 Å²	27.2	6%	0.063	16%	0.157	C	C	.	.			trans	-110.2	157.7	165	-67.3	176.7	0	0	0	110.3	V144 L165 S170 M173 L196 W201 L210	V144-L168 HydrophobicContact CB-CD2 4.22Å; V144-L168 HydrophobicContact CG2-CD2 3.62Å; L165-L168 HydrophobicContact CD1-CD2 4.13Å; L168-S170 PolarHBondContact O-N 3.15Å; L168-M173 HydrophobicContact CB-CE 4.31Å; L168-M173 HydrophobicContact CD1-CE 3.39Å; L168-M173 HydrophobicContact CG-CE 4.49Å; L168-L196 HydrophobicContact CD1-CD1 4.14Å; L168-L196 HydrophobicContact CD1-CD2 3.92Å; L168-W201 HydrophobicContact CD1-CH2 4.18Å; L168-W201 HydrophobicContact CD2-CH2 4.18Å; L168-W201 HydrophobicContact CD2-CZ3 4.47Å; L168-W201 HydrophobicContact CG-CH2 3.86Å; L168-W201 HydrophobicContact CG-CZ3 3.94Å; L168-L210 HydrophobicContact CD1-CD2 4.27Å
169	P	87.6	Confident	85.3	Confident	23 Å²	23	29.5 Å²	29.5	15%	0.149	17%	0.167	C	C	.	.			trans	-61.1	132.9	171.3	-23.7	34.5	0	0	0	111.9	V144 I149 D171 L172	V144-P169 HydrophobicContact CB-CG 4.46Å; V144-P169 VanDerWaalsContact O-CG 3.25Å; V144-P169 WeakPolarHBondContact O-CG 3.43Å; I149-P169 HydrophobicContact CD1-CB 4.17Å; P169-D171 PolarHBondContact O-N 3.09Å; P169-D171 VanDerWaalsContact O-N 3.15Å; P169-L172 HydrophobicContact CB-CB 4.17Å; P169-L172 WeakPolarHBondContact O-CB 3.08Å; P169-L172 PolarHBondContact O-N 3.16Å; P169-L172 VanDerWaalsContact O-N 3.08Å
170	S	79	Confident	84	Confident	40 Å²	40	33.2 Å²	33.2	28%	0.28	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.1	-179.2	42.4	0	0	0	0	114.8	L168 K209	L168-S170 PolarHBondContact O-N 3.15Å; S170-K209 PolarHBondContact O-NZ 2.99Å
171	D	81.1	Confident	82.1	Confident	58 Å²	58	36.2 Å²	36.2	31%	0.31	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-13.8	-177	-55.7	-90.5	0	0	0	111.9	I149 P169 M173 D174 K328	I149-D171 HydrophobicContact CD1-CB 4.02Å; P169-D171 PolarHBondContact O-N 3.09Å; P169-D171 VanDerWaalsContact O-N 3.15Å; D171-M173 VanDerWaalsContact C-N 3.26Å; D171-M173 PolarHBondContact O-N 2.88Å; D171-D174 PolarHBondContact O-N 3.2Å; D171-D174 VanDerWaalsContact O-N 3.15Å; D171-K328 IonicContact OD1-NZ 3.31Å; D171-K328 PolarHBondContact OD1-NZ 2.91Å
172	L	82.7	Confident	80.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-31.3	168.2	-179.8	58.3	0	0	0	111.2	V144 I149 L152 P169 D174 I175 W176	V144-L172 HydrophobicContact CG1-CD2 4.15Å; I149-L172 HydrophobicContact CD1-CB 4.48Å; I149-L172 HydrophobicContact CG1-CB 4.21Å; I149-L172 HydrophobicContact CG1-CD1 4.34Å; L152-L172 HydrophobicContact CB-CD1 4.18Å; L152-L172 HydrophobicContact CD1-CD1 3.51Å; L152-L172 HydrophobicContact CD1-CD2 4.27Å; L152-L172 HydrophobicContact CG-CD1 4.49Å; P169-L172 HydrophobicContact CB-CB 4.17Å; P169-L172 WeakPolarHBondContact O-CB 3.08Å; P169-L172 PolarHBondContact O-N 3.16Å; P169-L172 VanDerWaalsContact O-N 3.08Å; L172-D174 VanDerWaalsContact C-N 3.27Å; L172-D174 PolarHBondContact O-N 2.95Å; L172-I175 HydrophobicContact CD1-CD1 3.9Å; L172-I175 HydrophobicContact CD1-CG1 4.21Å; L172-I175 WeakPolarHBondContact O-CG1 3.29Å; L172-W176 HydrophobicContact CD1-CH2 3.76Å; L172-W176 HydrophobicContact CD1-CZ2 4.17Å; L172-W176 HydrophobicContact CD1-CZ3 4.2Å; L172-W176 HydrophobicContact CD2-CH2 4.29Å; L172-W176 HydrophobicContact CG-CH2 3.86Å; L172-W176 HydrophobicContact CG-CZ3 3.91Å
173	M	79.8	Confident	78.4	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.034	26%	0.263	C	S	.	.	H	α-helix	trans	-73.7	-19.5	173.1	-62.4	-62.4	157.9	0	0	112.6	L168 D171 W176 F179 K209 L210 I213	L168-M173 HydrophobicContact CB-CE 4.31Å; L168-M173 HydrophobicContact CD1-CE 3.39Å; L168-M173 HydrophobicContact CG-CE 4.49Å; D171-M173 VanDerWaalsContact C-N 3.26Å; D171-M173 PolarHBondContact O-N 2.88Å; M173-W176 HydrophobicContact CE-CZ3 4.49Å; M173-W176 HydrophobicContact SD-CE3 4.36Å; M173-W176 HydrophobicContact SD-CZ3 4.31Å; M173-F179 WeakPolarHBondContact O-CB 3.25Å; M173-K209 HydrophobicContact CB-CB 3.95Å; M173-K209 HydrophobicContact CB-CD 3.8Å; M173-K209 HydrophobicContact CG-CB 4.1Å; M173-L210 HydrophobicContact CE-CB 4.15Å; M173-L210 HydrophobicContact CE-CD1 4.13Å; M173-L210 HydrophobicContact CE-CD2 4.46Å; M173-L210 HydrophobicContact CE-CG 4.47Å; M173-I213 HydrophobicContact SD-CD1 3.62Å
174	D	78	Confident	76.4	Confident	32 Å²	32	49.2 Å²	49.2	17%	0.171	29%	0.292	C	S	.	.	H	α-helix	trans	-80.6	-17.4	-179.9	-73.5	-22	0	0	0	113.7	D171 L172 N180 K209 K328	D171-D174 PolarHBondContact O-N 3.2Å; D171-D174 VanDerWaalsContact O-N 3.15Å; L172-D174 VanDerWaalsContact C-N 3.27Å; L172-D174 PolarHBondContact O-N 2.95Å; D174-N180 WeakPolarHBondContact O-CA 3.46Å; D174-N180 WeakPolarHBondContact O-CB 3.46Å; D174-N180 VanDerWaalsContact O-CG 3.29Å; D174-N180 PolarHBondContact O-N 3.14Å; D174-K209 IonicContact OD1-NZ 2.63Å; D174-K209 PolarHBondContact OD1-NZ 2.91Å; D174-K209 IonicContact OD2-NZ 2.63Å; D174-K209 PolarHBondContact OD2-NZ 3.3Å; D174-K328 WeakPolarHBondContact OD2-CE 3.26Å; D174-K328 IonicContact OD2-NZ 2.83Å; D174-K328 PolarHBondContact OD2-NZ 3.45Å
175	I	78.1	Confident	74.2	Confident	28 Å²	28	47.8 Å²	47.8	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-74.7	-28.5	176	56.3	155	0	0	0	112.7	I149 L152 V153 L172 N180	I149-I175 HydrophobicContact CG2-CG2 3.64Å; L152-I175 HydrophobicContact CB-CD1 3.99Å; V153-I175 HydrophobicContact CG2-CB 4.2Å; V153-I175 HydrophobicContact CG2-CD1 4.12Å; V153-I175 HydrophobicContact CG2-CG2 4Å; L172-I175 HydrophobicContact CD1-CD1 3.9Å; L172-I175 HydrophobicContact CD1-CG1 4.21Å; L172-I175 WeakPolarHBondContact O-CG1 3.29Å; I175-N180 PolarHBondContact O-ND2 2.78Å
176	W	73.9	Confident	71.9	Confident	11 Å²	11	53.5 Å²	53.5	4%	0.042	34%	0.335	C	S	.	.	S	Bend	trans	-94.5	143.6	179.8	-57.5	-49.6	0	0	0	111.2	L158 L172 M173 F179 N180 V192 L194 V221	L158-W176 HydrophobicContact CD2-CH2 4.11Å; L158-W176 HydrophobicContact CD2-CZ2 4.43Å; L172-W176 HydrophobicContact CD1-CH2 3.76Å; L172-W176 HydrophobicContact CD1-CZ2 4.17Å; L172-W176 HydrophobicContact CD1-CZ3 4.2Å; L172-W176 HydrophobicContact CD2-CH2 4.29Å; L172-W176 HydrophobicContact CG-CH2 3.86Å; L172-W176 HydrophobicContact CG-CZ3 3.91Å; M173-W176 HydrophobicContact CE-CZ3 4.49Å; M173-W176 HydrophobicContact SD-CE3 4.36Å; M173-W176 HydrophobicContact SD-CZ3 4.31Å; W176-F179 PolarHBondContact O-N 3.08Å; W176-N180 PolarHBondContact O-N 2.82Å; W176-V192 HydrophobicContact CZ2-CG1 4.47Å; W176-L194 HydrophobicContact CZ3-CD2 4.07Å; W176-V221 HydrophobicContact CB-CG2 3.92Å; W176-V221 HydrophobicContact CG-CG2 4.38Å
177	P	66.1	Low	69.5	Low	49 Å²	49	57 Å²	57	32%	0.318	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	151.5	174.1	-3.9	18.8	0	0	0	110.4	P220	P177-P220 HydrophobicContact CB-CG 3.92Å; P177-P220 HydrophobicContact CG-CG 4.02Å; P177-P220 WeakPolarHBondContact O-CD 3.48Å; P177-P220 WeakPolarHBondContact O-CG 3.37Å
178	P	61.2	Low	67.6	Low	47 Å²	47	58 Å²	58	31%	0.305	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.9	-12.5	9.1	32.6	-36.8	0	0	0	115.5	N180 G181 M216	P178-N180 VanDerWaalsContact C-N 3.29Å; P178-N180 PolarHBondContact O-N 2.85Å; P178-G181 PolarHBondContact O-N 2.92Å; P178-M216 HydrophobicContact CG-CE 4.38Å; P178-M216 HydrophobicContact CG-SD 4.12Å
179	F	69.5	Low	65.8	Low	49 Å²	49	62.9 Å²	62.9	22%	0.215	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.7	-167.7	-55.7	-84.8	0	0	0	114.6	M173 W176 G181 K209 E212 I213 M216	M173-F179 WeakPolarHBondContact O-CB 3.25Å; W176-F179 PolarHBondContact O-N 3.08Å; F179-G181 PolarHBondContact O-N 2.78Å; F179-K209 HydrophobicContact CD1-CB 4.47Å; F179-K209 HydrophobicContact CD1-CD 4.09Å; F179-K209 HydrophobicContact CD1-CG 4.18Å; F179-K209 HydrophobicContact CE1-CB 3.99Å; F179-K209 HydrophobicContact CE1-CD 4.37Å; F179-K209 HydrophobicContact CE1-CG 3.96Å; F179-K209 HydrophobicContact CZ-CB 4.11Å; F179-E212 HydrophobicContact CZ-CB 4.46Å; F179-I213 HydrophobicContact CE2-CD1 3.77Å; F179-I213 HydrophobicContact CE2-CG1 3.53Å; F179-I213 HydrophobicContact CZ-CD1 4.5Å; F179-I213 HydrophobicContact CZ-CG1 3.99Å; F179-M216 HydrophobicContact CZ-CE 4.13Å
180	N	68.4	Low	64.8	Low	85 Å²	85	67.9 Å²	67.9	46%	0.455	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-7.1	171.9	-152	-23	0	0	0	113.3	D174 I175 W176 P178 V182	D174-N180 WeakPolarHBondContact O-CA 3.46Å; D174-N180 WeakPolarHBondContact O-CB 3.46Å; D174-N180 VanDerWaalsContact O-CG 3.29Å; D174-N180 PolarHBondContact O-N 3.14Å; I175-N180 PolarHBondContact O-ND2 2.78Å; W176-N180 PolarHBondContact O-N 2.82Å; P178-N180 VanDerWaalsContact C-N 3.29Å; P178-N180 PolarHBondContact O-N 2.85Å; N180-V182 PolarHBondContact O-N 2.96Å
181	G	57.7	Low	64.8	Low	65 Å²	65	71.7 Å²	71.7	67%	0.67	43%	0.431	S	S	*	.			trans	71.8	-6.8	175.3	0	0	0	0	0	115.2	P178 F179	P178-G181 PolarHBondContact O-N 2.92Å; F179-G181 PolarHBondContact O-N 2.78Å
182	V	59.3	Low	65	Low	88 Å²	88	69.5 Å²	69.5	53%	0.533	42%	0.42	S	S	.	.			trans	-68.1	125.7	170.7	-176.8	0	0	0	0	108.7	N180	N180-V182 PolarHBondContact O-N 2.96Å
183	P	55.2	Low	65.3	Low	111 Å²	111	71.4 Å²	71.4	72%	0.721	43%	0.431	S	S	*	.			trans	-62.5	142.4	176.8	26.4	-34.3	0	0	0	110.6	S185	P183-S185 VanDerWaalsContact C-N 3.34Å; P183-S185 PolarHBondContact O-N 3.06Å
184	I	57.2	Low	65.9	Low	118 Å²	118	71.1 Å²	71.1	61%	0.605	43%	0.43	S	S	*	.			trans	-67.2	92.4	-179.3	-58.1	169	0	0	0	108.9
185	S	49.6	Very low	66.7	Low	70 Å²	70	69.6 Å²	69.6	49%	0.49	42%	0.422	S	S	.	.			trans	-62.5	137.5	173.8	177.9	0	0	0	0	109.8	P183 N187 A188	P183-S185 VanDerWaalsContact C-N 3.34Å; P183-S185 PolarHBondContact O-N 3.06Å; S185-N187 PolarHBondContact O-N 2.92Å; S185-A188 WeakPolarHBondContact O-CB 3.25Å; S185-A188 PolarHBondContact O-N 3Å
186	S	48.9	Very low	67.5	Low	121 Å²	121	68.3 Å²	68.3	85%	0.846	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.8	-178.1	56.6	0	0	0	0	114.6
187	N	43.7	Very low	68.5	Low	139 Å²	139	69 Å²	69	74%	0.743	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	1.9	176.7	-63.3	-9.5	0	0	0	113.5	S185 S189	S185-N187 PolarHBondContact O-N 2.92Å; N187-S189 VanDerWaalsContact C-N 3.28Å; N187-S189 PolarHBondContact O-N 3.09Å
188	A	51.4	Low	69.8	Low	65 Å²	65	71.4 Å²	71.4	54%	0.537	43%	0.429	S	S	.	.			trans	-82.4	64.6	-180	0	0	0	0	0	112.2	S185 Q190	S185-A188 WeakPolarHBondContact O-CB 3.25Å; S185-A188 PolarHBondContact O-N 3Å; A188-Q190 PolarHBondContact O-N 3.18Å
189	S	54	Low	71.5	Confident	113 Å²	113	69.7 Å²	69.7	79%	0.79	42%	0.417	S	S	*	.			trans	-74.7	-7.2	-178.7	56.7	0	0	0	0	114.9	N187 K191	N187-S189 VanDerWaalsContact C-N 3.28Å; N187-S189 PolarHBondContact O-N 3.09Å; S189-K191 PolarHBondContact O-N 2.93Å
190	Q	66.9	Low	72.8	Confident	128 Å²	128	69.4 Å²	69.4	60%	0.598	42%	0.421	S	S	*	.			trans	-77.6	85.7	-176.2	-171.9	167	-19.9	0	0	111.3	T156 A188	T156-Q190 HydrophobicContact CG2-CG 3.7Å; A188-Q190 PolarHBondContact O-N 3.18Å
191	K	77.9	Confident	74.1	Confident	120 Å²	120	65.5 Å²	65.5	52%	0.522	40%	0.4	S	S	.	.			trans	-72	146.6	171.7	-60.4	-167.1	178.6	-163.8	0	111.1	S189 P220 I222	S189-K191 PolarHBondContact O-N 2.93Å; K191-P220 CarbonylContact C-O 3.59Å; K191-P220 WeakPolarHBondContact CA-O 3.36Å; K191-P220 WeakPolarHBondContact CB-O 3.45Å; K191-I222 HydrophobicContact CB-CD1 4.04Å; K191-I222 HydrophobicContact CB-CG1 4.46Å; K191-I222 HydrophobicContact CD-CD1 3.64Å; K191-I222 HydrophobicContact CD-CG1 4.09Å; K191-I222 HydrophobicContact CG-CD1 4.49Å
192	V	85.5	Confident	75.8	Confident	12 Å²	12	66.5 Å²	66.5	7%	0.073	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.4	175.6	179.6	0	0	0	0	108.4	T156 W176 P220 V221 I222	T156-V192 CarbonylContact O-C 3.2Å; T156-V192 WeakPolarHBondContact O-CA 3.47Å; W176-V192 HydrophobicContact CZ2-CG1 4.47Å; V192-P220 PolarHBondContact N-O 3.27Å; V192-V221 CarbonylContact O-C 3.57Å; V192-V221 WeakPolarHBondContact O-CA 3.49Å; V192-I222 PolarHBondContact O-N 3.17Å
193	V	89.6	Confident	77.5	Confident	41 Å²	41	62.5 Å²	62.5	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.4	175.9	-169.8	0	0	0	0	109.1	T156 Y157 L158 I222 M224	T156-V193 PolarHBondContact O-N 2.89Å; Y157-V193 WeakPolarHBondContact CA-O 3.29Å; Y157-V193 HydrophobicContact CD2-CB 3.99Å; Y157-V193 HydrophobicContact CD2-CG1 4.19Å; Y157-V193 HydrophobicContact CE2-CG1 4.39Å; L158-V193 PolarHBondContact N-O 3.08Å; V193-I222 WeakPolarHBondContact CA-O 3.32Å; V193-I222 HydrophobicContact CG2-CD1 4.45Å; V193-M224 HydrophobicContact CG1-CE 3.74Å; V193-M224 HydrophobicContact CG1-CG 3.64Å; V193-M224 HydrophobicContact CG1-SD 4.49Å
194	L	91.5	Very high	79.2	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114.2	-169.1	-176.1	56.6	0	0	0	111.1	L158 W176 L196 V221 I222 L223 M224	L158-L194 HydrophobicContact CB-CD1 4.12Å; L158-L194 HydrophobicContact CD2-CD1 4Å; L158-L194 HydrophobicContact CG-CD1 4.1Å; L158-L194 WeakPolarHBondContact O-CA 3.43Å; W176-L194 HydrophobicContact CZ3-CD2 4.07Å; L194-L196 HydrophobicContact CD1-CD1 4.27Å; L194-L196 HydrophobicContact CD1-CD2 4.3Å; L194-L196 HydrophobicContact CD1-CG 4.16Å; L194-L196 HydrophobicContact CD2-CD1 3.74Å; L194-L196 HydrophobicContact CD2-CG 4.47Å; L194-L196 HydrophobicContact CG-CD1 3.69Å; L194-L196 HydrophobicContact CG-CG 3.88Å; L194-V221 HydrophobicContact CB-CG1 4Å; L194-V221 HydrophobicContact CD2-CG1 3.87Å; L194-I222 PolarHBondContact N-O 3.01Å; L194-L223 HydrophobicContact CB-CD2 4.41Å; L194-L223 HydrophobicContact CD2-CD2 4.36Å; L194-L223 HydrophobicContact CG-CD2 4.43Å; L194-L223 WeakPolarHBondContact O-CA 3.22Å; L194-M224 PolarHBondContact O-N 3.46Å
195	G	94.4	Very high	80.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.6	178.7	0	0	0	0	0	111	L158 L160 S161 M224	L158-G195 PolarHBondContact O-N 2.85Å; L160-G195 CarbonylContact C-O 3.59Å; L160-G195 WeakPolarHBondContact CA-O 3.43Å; L160-G195 PolarHBondContact N-O 3.42Å; S161-G195 PolarHBondContact N-O 3.45Å; G195-M224 VanDerWaalsContact CA-SD 3.5Å
196	L	95.3	Very high	82.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.303	C	S	.	.			trans	-142.4	-4.9	-171.4	-69.8	176.3	0	0	0	114.3	L160 L168 L194 N199 W201 L210 L223 L228	L160-L196 HydrophobicContact CB-CD2 4.19Å; L160-L196 HydrophobicContact CD1-CD2 4.44Å; L168-L196 HydrophobicContact CD1-CD1 4.14Å; L168-L196 HydrophobicContact CD1-CD2 3.92Å; L194-L196 HydrophobicContact CD1-CD1 4.27Å; L194-L196 HydrophobicContact CD1-CD2 4.3Å; L194-L196 HydrophobicContact CD1-CG 4.16Å; L194-L196 HydrophobicContact CD2-CD1 3.74Å; L194-L196 HydrophobicContact CD2-CG 4.47Å; L194-L196 HydrophobicContact CG-CD1 3.69Å; L194-L196 HydrophobicContact CG-CG 3.88Å; L196-N199 PolarHBondContact O-ND2 3.44Å; L196-W201 HydrophobicContact CB-CZ2 3.91Å; L196-W201 HydrophobicContact CD2-CH2 3.95Å; L196-W201 HydrophobicContact CD2-CZ2 3.77Å; L196-W201 HydrophobicContact CG-CZ2 4.32Å; L196-W201 WeakPolarHBondContact O-CZ2 3.38Å; L196-W201 PolarHBondContact O-NE1 2.81Å; L196-L210 HydrophobicContact CD1-CD1 3.65Å; L196-L210 HydrophobicContact CD1-CD2 3.71Å; L196-L210 HydrophobicContact CD1-CG 4.35Å; L196-L223 HydrophobicContact CD1-CD2 4.22Å; L196-L228 HydrophobicContact CB-CD1 4.3Å; L196-L228 HydrophobicContact CB-CD2 4.09Å
197	Q	94.4	Very high	84.5	Confident	27 Å²	27	48.6 Å²	48.6	13%	0.126	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	160.1	176.5	61.8	-75.4	-1.5	0	0	112.8	S161 S162 N199 D225 L228	S161-Q197 CarbonylContact C-O 3.32Å; S161-Q197 WeakPolarHBondContact CA-O 3.48Å; S161-Q197 WeakPolarHBondContact CB-O 3.4Å; S161-Q197 PolarHBondContact OG-NE2 2.99Å; S162-Q197 PolarHBondContact N-O 3.17Å; Q197-N199 PolarHBondContact O-N 3.4Å; Q197-N199 PolarHBondContact O-ND2 3.1Å; Q197-D225 HydrophobicContact CB-CB 4.01Å; Q197-D225 HydrophobicContact CG-CB 4.11Å; Q197-L228 HydrophobicContact CB-CD2 4.06Å
198	D	94.6	Very high	86.7	Confident	99 Å²	99	42.5 Å²	42.5	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	28.1	176.5	-48.7	-55.3	0	0	0	115.1	S162	S162-D198 WeakPolarHBondContact OG-CB 3.45Å
199	N	96.7	Very high	88.4	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.053	21%	0.21	C	C	.	.			trans	-106	146.1	170.9	-82.3	-76.7	0	0	0	111.5	L160 N163 K164 L165 L196 Q197 W201	L160-N199 PolarHBondContact O-ND2 3.09Å; N163-N199 VanDerWaalsContact CA-OD1 3.28Å; N163-N199 WeakPolarHBondContact CA-OD1 3.3Å; N163-N199 WeakPolarHBondContact CB-OD1 3.09Å; N163-N199 PolarHBondContact N-OD1 2.78Å; N163-N199 PolarHBondContact O-OD1 3.16Å; K164-N199 PolarHBondContact N-OD1 3.47Å; L165-N199 HydrophobicContact CB-CB 4.35Å; L165-N199 WeakPolarHBondContact CB-OD1 3.49Å; L165-N199 PolarHBondContact N-OD1 3.11Å; L196-N199 PolarHBondContact O-ND2 3.44Å; Q197-N199 PolarHBondContact O-N 3.4Å; Q197-N199 PolarHBondContact O-ND2 3.1Å; N199-W201 VanDerWaalsContact C-N 3.27Å; N199-W201 HydrophobicContact CB-CD2 4.13Å; N199-W201 VanDerWaalsContact CB-CE2 3.5Å; N199-W201 HydrophobicContact CB-CG 4.49Å; N199-W201 HydrophobicContact CB-CH2 4.36Å; N199-W201 HydrophobicContact CB-CZ2 3.62Å; N199-W201 PolarHBondContact O-N 3.37Å
200	P	96.4	Very high	90	Very high	44 Å²	44	34.8 Å²	34.8	29%	0.286	17%	0.173	S	C	.	.			trans	-79.8	64	-179.1	35.3	-38.1	0	0	0	112.6	L165 T166 F202 A231	L165-P200 CarbonylContact O-C 3.54Å; L165-P200 VanDerWaalsContact O-CD 3.28Å; L165-P200 WeakPolarHBondContact O-CD 3.27Å; T166-P200 HydrophobicContact CG2-CG 4.37Å; P200-F202 PolarHBondContact O-N 3.5Å; P200-A231 HydrophobicContact CB-CB 4.2Å
201	W	95.7	Very high	91.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	15%	0.145	C	C	.	.			trans	-59.6	131.5	-174.9	-62.9	115.9	0	0	0	113.8	L165 L168 L196 N199 I207 A231 T232 F241	L165-W201 HydrophobicContact CB-CH2 3.64Å; L165-W201 HydrophobicContact CB-CZ2 4.4Å; L165-W201 HydrophobicContact CB-CZ3 3.75Å; L165-W201 HydrophobicContact CD1-CH2 3.91Å; L165-W201 HydrophobicContact CG-CH2 4.44Å; L168-W201 HydrophobicContact CD1-CH2 4.18Å; L168-W201 HydrophobicContact CD2-CH2 4.18Å; L168-W201 HydrophobicContact CD2-CZ3 4.47Å; L168-W201 HydrophobicContact CG-CH2 3.86Å; L168-W201 HydrophobicContact CG-CZ3 3.94Å; L196-W201 HydrophobicContact CB-CZ2 3.91Å; L196-W201 HydrophobicContact CD2-CH2 3.95Å; L196-W201 HydrophobicContact CD2-CZ2 3.77Å; L196-W201 HydrophobicContact CG-CZ2 4.32Å; L196-W201 WeakPolarHBondContact O-CZ2 3.38Å; L196-W201 PolarHBondContact O-NE1 2.81Å; N199-W201 VanDerWaalsContact C-N 3.27Å; N199-W201 HydrophobicContact CB-CD2 4.13Å; N199-W201 VanDerWaalsContact CB-CE2 3.5Å; N199-W201 HydrophobicContact CB-CG 4.49Å; N199-W201 HydrophobicContact CB-CH2 4.36Å; N199-W201 HydrophobicContact CB-CZ2 3.62Å; N199-W201 PolarHBondContact O-N 3.37Å; W201-I207 HydrophobicContact CB-CD1 4.15Å; W201-I207 HydrophobicContact CD2-CD1 3.82Å; W201-I207 HydrophobicContact CE3-CD1 3.45Å; W201-I207 VanDerWaalsContact CE3-CD1 3.45Å; W201-I207 HydrophobicContact CG-CD1 4.13Å; W201-I207 HydrophobicContact CZ3-CD1 4.2Å; W201-A231 PolarHBondContact O-N 3Å; W201-T232 PolarHBondContact O-N 3.1Å; W201-T232 VanDerWaalsContact O-N 3.09Å; W201-T232 PolarHBondContact O-OG1 2.61Å; W201-F241 HydrophobicContact CB-CE1 4.14Å; W201-F241 HydrophobicContact CB-CZ 3.88Å; W201-F241 AromaticContact CD1-CZ 3.58Å; W201-F241 HydrophobicContact CD2-CZ 4.33Å; W201-F241 HydrophobicContact CG-CE1 4.28Å; W201-F241 AromaticContact CG-CZ 3.64Å; W201-F241 HydrophobicContact CG-CZ 3.64Å
202	F	94.3	Very high	91.6	Very high	86 Å²	86	27.6 Å²	27.6	38%	0.377	14%	0.141	S	C	.	.	B	Isolated β-bridge	trans	-95.2	104.5	170.8	-172.7	-90.8	0	0	0	108.5	T166 P200 D204 I207 T232 P233	T166-F202 PolarHBondContact O-N 3Å; P200-F202 PolarHBondContact O-N 3.5Å; F202-D204 HydrophobicContact CD1-CB 3.87Å; F202-D204 HydrophobicContact CE1-CB 3.7Å; F202-D204 PolarHBondContact O-N 3.09Å; F202-I207 WeakPolarHBondContact O-CG2 3.3Å; F202-T232 WeakPolarHBondContact CA-OG1 3.49Å; F202-T232 VanDerWaalsContact CD2-OG1 3.28Å; F202-T232 WeakPolarHBondContact CD2-OG1 3.49Å; F202-P233 HydrophobicContact CE2-CG 4.34Å; F202-P233 HydrophobicContact CZ-CG 4.3Å
203	C	93.6	Very high	91.7	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.034	14%	0.139	C	C	.	.			trans	-83.3	78.8	-174	-75.4	0	0	0	0	112	I211 C230 T232 L236 L246	C203-I211 HydrophobicContact CB-CD1 4.48Å; C203-C230 HydrophobicContact CB-CB 3.76Å; C203-C230 WeakPolarHBondContact CB-SG 3.28Å; C203-C230 VanDerWaalsContact SG-CA 3.51Å; C203-C230 WeakPolarHBondContact SG-CB 3.26Å; C203-C230 CovalentContact SG-SG 2.02Å; C203-C230 PolarHBondContact SG-SG 3.38Å; C203-T232 PolarHBondContact N-O 2.92Å; C203-L236 HydrophobicContact CB-CB 4.41Å; C203-L236 HydrophobicContact CB-CD1 3.73Å; C203-L246 HydrophobicContact CB-CD2 4.04Å; C203-L246 WeakPolarHBondContact O-CD2 3.37Å
204	D	91	Very high	91.6	Very high	30 Å²	30	25.7 Å²	25.7	16%	0.16	13%	0.13	C	C	.	.	S	Bend	trans	-110	-172.9	166.6	75.1	3	0	0	0	111.9	F202 K206 I207 L246	F202-D204 HydrophobicContact CD1-CB 3.87Å; F202-D204 HydrophobicContact CE1-CB 3.7Å; F202-D204 PolarHBondContact O-N 3.09Å; D204-K206 PolarHBondContact O-N 3.47Å; D204-K206 WeakPolarHBondContact OD1-CA 3.25Å; D204-K206 WeakPolarHBondContact OD1-CB 3.45Å; D204-K206 WeakPolarHBondContact OD1-CG 3.43Å; D204-K206 PolarHBondContact OD1-N 3.39Å; D204-K206 IonicContact OD2-NZ 3.19Å; D204-K206 PolarHBondContact OD2-NZ 3.09Å; D204-I207 VanDerWaalsContact O-CG2 3.22Å; D204-I207 WeakPolarHBondContact O-CG2 3.5Å; D204-I207 PolarHBondContact O-N 2.84Å; D204-L246 WeakPolarHBondContact O-CD1 3.47Å
205	C	89.7	Confident	91.4	Very high	10 Å²	10	30.5 Å²	30.5	7%	0.068	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61	-25.1	177.1	-69	0	0	0	0	114.5	I207 S208 E247 C249 P279 V330	C205-I207 VanDerWaalsContact C-N 3.27Å; C205-I207 PolarHBondContact O-N 2.76Å; C205-S208 WeakPolarHBondContact O-CB 3.3Å; C205-S208 PolarHBondContact O-N 2.84Å; C205-S208 VanDerWaalsContact O-N 3.13Å; C205-S208 PolarHBondContact O-OG 3.48Å; C205-E247 PolarHBondContact SG-O 2.66Å; C205-C249 VanDerWaalsContact CA-SG 3.56Å; C205-C249 HydrophobicContact CB-CB 3.89Å; C205-C249 WeakPolarHBondContact CB-SG 3.25Å; C205-C249 WeakPolarHBondContact SG-CA 3.39Å; C205-C249 WeakPolarHBondContact SG-CB 3.47Å; C205-C249 CovalentContact SG-SG 2.04Å; C205-C249 PolarHBondContact SG-SG 2.74Å; C205-P279 HydrophobicContact CB-CG 3.75Å; C205-V330 HydrophobicContact CB-CG2 4.47Å; C205-V330 WeakPolarHBondContact O-CG2 3.37Å
206	K	88.2	Confident	90.9	Very high	82 Å²	82	34.2 Å²	34.2	36%	0.357	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-64.4	-34.3	-176.7	-53.5	178.3	-172.7	86.7	0	111.6	D204 P279	D204-K206 PolarHBondContact O-N 3.47Å; D204-K206 WeakPolarHBondContact OD1-CA 3.25Å; D204-K206 WeakPolarHBondContact OD1-CB 3.45Å; D204-K206 WeakPolarHBondContact OD1-CG 3.43Å; D204-K206 PolarHBondContact OD1-N 3.39Å; D204-K206 IonicContact OD2-NZ 3.19Å; D204-K206 PolarHBondContact OD2-NZ 3.09Å; K206-P279 HydrophobicContact CG-CB 4.47Å; K206-P279 HydrophobicContact CG-CG 3.96Å
207	I	90.3	Very high	89.8	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-89.5	4	178.6	-165.7	162.9	0	0	0	113.3	W201 F202 D204 C205 K209 L210 I211 F241	W201-I207 HydrophobicContact CB-CD1 4.15Å; W201-I207 HydrophobicContact CD2-CD1 3.82Å; W201-I207 HydrophobicContact CE3-CD1 3.45Å; W201-I207 VanDerWaalsContact CE3-CD1 3.45Å; W201-I207 HydrophobicContact CG-CD1 4.13Å; W201-I207 HydrophobicContact CZ3-CD1 4.2Å; F202-I207 WeakPolarHBondContact O-CG2 3.3Å; D204-I207 VanDerWaalsContact O-CG2 3.22Å; D204-I207 WeakPolarHBondContact O-CG2 3.5Å; D204-I207 PolarHBondContact O-N 2.84Å; C205-I207 VanDerWaalsContact C-N 3.27Å; C205-I207 PolarHBondContact O-N 2.76Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.85Å; I207-L210 HydrophobicContact CD1-CD2 4.04Å; I207-L210 HydrophobicContact CG1-CB 3.95Å; I207-L210 HydrophobicContact CG1-CD2 3.95Å; I207-L210 HydrophobicContact CG1-CG 4.44Å; I207-L210 PolarHBondContact O-N 3.16Å; I207-I211 HydrophobicContact CG2-CD1 4.1Å; I207-I211 PolarHBondContact O-N 3.27Å; I207-I211 VanDerWaalsContact O-N 3.16Å; I207-F241 HydrophobicContact CD1-CE2 4.35Å; I207-F241 HydrophobicContact CD1-CZ 3.96Å
208	S	89.1	Confident	88.8	Confident	12 Å²	12	44.9 Å²	44.9	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-50.5	-47.4	-177.5	65.2	0	0	0	0	113.9	C205 L210 I211 E212	C205-S208 WeakPolarHBondContact O-CB 3.3Å; C205-S208 PolarHBondContact O-N 2.84Å; C205-S208 VanDerWaalsContact O-N 3.13Å; C205-S208 PolarHBondContact O-OG 3.48Å; S208-L210 VanDerWaalsContact C-N 3.27Å; S208-L210 PolarHBondContact O-N 2.87Å; S208-I211 CarbonylContact O-C 3.52Å; S208-I211 WeakPolarHBondContact O-CA 3.26Å; S208-I211 WeakPolarHBondContact O-CB 3.41Å; S208-I211 PolarHBondContact O-N 3.15Å; S208-I211 VanDerWaalsContact O-N 3.11Å; S208-E212 WeakPolarHBondContact O-CG 3.36Å; S208-E212 PolarHBondContact O-N 3.42Å
209	K	87.1	Confident	87.9	Confident	14 Å²	14	41.4 Å²	41.4	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-33.4	179.6	-63.5	179.7	-175.1	173.7	0	113.2	S170 M173 D174 F179 I207 E212 I213	S170-K209 PolarHBondContact O-NZ 2.99Å; M173-K209 HydrophobicContact CB-CB 3.95Å; M173-K209 HydrophobicContact CB-CD 3.8Å; M173-K209 HydrophobicContact CG-CB 4.1Å; D174-K209 IonicContact OD1-NZ 2.63Å; D174-K209 PolarHBondContact OD1-NZ 2.91Å; D174-K209 IonicContact OD2-NZ 2.63Å; D174-K209 PolarHBondContact OD2-NZ 3.3Å; F179-K209 HydrophobicContact CD1-CB 4.47Å; F179-K209 HydrophobicContact CD1-CD 4.09Å; F179-K209 HydrophobicContact CD1-CG 4.18Å; F179-K209 HydrophobicContact CE1-CB 3.99Å; F179-K209 HydrophobicContact CE1-CD 4.37Å; F179-K209 HydrophobicContact CE1-CG 3.96Å; F179-K209 HydrophobicContact CZ-CB 4.11Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.85Å; K209-E212 PolarHBondContact O-N 3.08Å; K209-I213 VanDerWaalsContact O-CG1 3.3Å; K209-I213 WeakPolarHBondContact O-CG1 3.31Å; K209-I213 PolarHBondContact O-N 3.4Å
210	L	88.8	Confident	87.1	Confident	2 Å²	2	42 Å²	42	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-74.8	-37.6	176.4	177.9	61.2	0	0	0	111.5	L168 M173 L196 I207 S208 E212 I213 S214 L223 F241	L168-L210 HydrophobicContact CD1-CD2 4.27Å; M173-L210 HydrophobicContact CE-CB 4.15Å; M173-L210 HydrophobicContact CE-CD1 4.13Å; M173-L210 HydrophobicContact CE-CD2 4.46Å; M173-L210 HydrophobicContact CE-CG 4.47Å; L196-L210 HydrophobicContact CD1-CD1 3.65Å; L196-L210 HydrophobicContact CD1-CD2 3.71Å; L196-L210 HydrophobicContact CD1-CG 4.35Å; I207-L210 HydrophobicContact CD1-CD2 4.04Å; I207-L210 HydrophobicContact CG1-CB 3.95Å; I207-L210 HydrophobicContact CG1-CD2 3.95Å; I207-L210 HydrophobicContact CG1-CG 4.44Å; I207-L210 PolarHBondContact O-N 3.16Å; S208-L210 VanDerWaalsContact C-N 3.27Å; S208-L210 PolarHBondContact O-N 2.87Å; L210-E212 VanDerWaalsContact C-N 3.29Å; L210-I213 PolarHBondContact O-N 2.87Å; L210-S214 PolarHBondContact O-N 2.87Å; L210-L223 HydrophobicContact CD1-CD2 4.18Å; L210-F241 HydrophobicContact CD2-CE2 3.83Å; L210-F241 HydrophobicContact CG-CD2 4.39Å; L210-F241 HydrophobicContact CG-CE2 3.94Å
211	I	90.3	Very high	86.5	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-38.5	170.7	-75.2	167.5	0	0	0	110.4	C203 I207 S208 S214 K215 F241 A244 L246	C203-I211 HydrophobicContact CB-CD1 4.48Å; I207-I211 HydrophobicContact CG2-CD1 4.1Å; I207-I211 PolarHBondContact O-N 3.27Å; I207-I211 VanDerWaalsContact O-N 3.16Å; S208-I211 CarbonylContact O-C 3.52Å; S208-I211 WeakPolarHBondContact O-CA 3.26Å; S208-I211 WeakPolarHBondContact O-CB 3.41Å; S208-I211 PolarHBondContact O-N 3.15Å; S208-I211 VanDerWaalsContact O-N 3.11Å; I211-S214 PolarHBondContact O-N 2.99Å; I211-S214 PolarHBondContact O-OG 2.85Å; I211-K215 HydrophobicContact CG2-CD 4.34Å; I211-K215 WeakPolarHBondContact O-CG 2.98Å; I211-K215 PolarHBondContact O-N 2.91Å; I211-F241 HydrophobicContact CG1-CB 4.06Å; I211-F241 HydrophobicContact CG1-CD1 4.14Å; I211-F241 HydrophobicContact CG1-CD2 3.84Å; I211-F241 HydrophobicContact CG1-CE2 4.29Å; I211-F241 HydrophobicContact CG1-CG 3.77Å; I211-A244 HydrophobicContact CD1-CB 4.08Å; I211-A244 HydrophobicContact CG2-CB 4.34Å; I211-L246 HydrophobicContact CD1-CD1 4.05Å; I211-L246 HydrophobicContact CD1-CD2 3.86Å; I211-L246 HydrophobicContact CD1-CG 4.14Å
212	E	87.9	Confident	86.1	Confident	92 Å²	92	43.5 Å²	43.5	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-47.4	171.6	-71.9	174.5	-179.6	0	0	112.2	F179 S208 K209 L210 S214 K215 M216	F179-E212 HydrophobicContact CZ-CB 4.46Å; S208-E212 WeakPolarHBondContact O-CG 3.36Å; S208-E212 PolarHBondContact O-N 3.42Å; K209-E212 PolarHBondContact O-N 3.08Å; L210-E212 VanDerWaalsContact C-N 3.29Å; E212-S214 VanDerWaalsContact C-N 3.25Å; E212-S214 PolarHBondContact O-N 2.8Å; E212-K215 WeakPolarHBondContact O-CB 3.45Å; E212-K215 PolarHBondContact O-N 2.84Å; E212-M216 HydrophobicContact CB-CE 4.2Å; E212-M216 WeakPolarHBondContact O-CG 3.32Å; E212-M216 PolarHBondContact O-N 2.92Å
213	I	85.9	Confident	85.9	Confident	5 Å²	5	40 Å²	40	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-52.5	-45.5	173.3	-71.7	164.9	0	0	0	110.7	M173 F179 K209 L210 K215 M216 T219 V221 L223	M173-I213 HydrophobicContact SD-CD1 3.62Å; F179-I213 HydrophobicContact CE2-CD1 3.77Å; F179-I213 HydrophobicContact CE2-CG1 3.53Å; F179-I213 HydrophobicContact CZ-CD1 4.5Å; F179-I213 HydrophobicContact CZ-CG1 3.99Å; K209-I213 VanDerWaalsContact O-CG1 3.3Å; K209-I213 WeakPolarHBondContact O-CG1 3.31Å; K209-I213 PolarHBondContact O-N 3.4Å; L210-I213 PolarHBondContact O-N 2.87Å; I213-K215 PolarHBondContact O-N 3.47Å; I213-K215 VanDerWaalsContact O-N 3.11Å; I213-M216 PolarHBondContact O-N 2.86Å; I213-M216 VanDerWaalsContact O-N 3.16Å; I213-T219 HydrophobicContact CG2-CG2 4.49Å; I213-V221 HydrophobicContact CG2-CB 4.33Å; I213-V221 HydrophobicContact CG2-CG1 4.26Å; I213-L223 HydrophobicContact CG2-CD1 4.29Å; I213-L223 HydrophobicContact CG2-CG 4.34Å
214	S	88.4	Confident	85.7	Confident	8 Å²	8	42.7 Å²	42.7	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-17.8	-179.1	83.1	0	0	0	0	114.7	L210 I211 E212 F241 Q242	L210-S214 PolarHBondContact O-N 2.87Å; I211-S214 PolarHBondContact O-N 2.99Å; I211-S214 PolarHBondContact O-OG 2.85Å; E212-S214 VanDerWaalsContact C-N 3.25Å; E212-S214 PolarHBondContact O-N 2.8Å; S214-F241 VanDerWaalsContact OG-CB 3.23Å; S214-F241 WeakPolarHBondContact OG-CB 3.49Å; S214-Q242 WeakPolarHBondContact O-CG 3.4Å; S214-Q242 PolarHBondContact O-NE2 3.16Å
215	K	87.9	Confident	85.6	Confident	102 Å²	102	42.6 Å²	42.6	44%	0.443	23%	0.23	S	C	.	.	H	α-helix	trans	-99	-13.3	-179.7	-68.7	169.3	-176	179.8	0	113.1	I211 E212 I213 F241 Q242 A244	I211-K215 HydrophobicContact CG2-CD 4.34Å; I211-K215 WeakPolarHBondContact O-CG 2.98Å; I211-K215 PolarHBondContact O-N 2.91Å; E212-K215 WeakPolarHBondContact O-CB 3.45Å; E212-K215 PolarHBondContact O-N 2.84Å; I213-K215 PolarHBondContact O-N 3.47Å; I213-K215 VanDerWaalsContact O-N 3.11Å; K215-F241 WeakPolarHBondContact CE-O 3.17Å; K215-Q242 WeakPolarHBondContact CE-O 3.42Å; K215-A244 PolarHBondContact NZ-O 3.29Å
216	M	83.8	Confident	85.3	Confident	79 Å²	79	47 Å²	47	39%	0.389	25%	0.252	S	S	.	.			trans	-84	142.9	178.6	-67.3	179.2	-166.9	0	0	111.3	P178 F179 E212 I213 T219	P178-M216 HydrophobicContact CG-CE 4.38Å; P178-M216 HydrophobicContact CG-SD 4.12Å; F179-M216 HydrophobicContact CZ-CE 4.13Å; E212-M216 HydrophobicContact CB-CE 4.2Å; E212-M216 WeakPolarHBondContact O-CG 3.32Å; E212-M216 PolarHBondContact O-N 2.92Å; I213-M216 PolarHBondContact O-N 2.86Å; I213-M216 VanDerWaalsContact O-N 3.16Å; M216-T219 HydrophobicContact CB-CG2 3.63Å; M216-T219 HydrophobicContact CG-CG2 4.23Å; M216-T219 HydrophobicContact SD-CG2 3.61Å
217	A	72.5	Confident	85.3	Confident	97 Å²	97	48.8 Å²	48.8	80%	0.802	26%	0.26	S	S	*	.	S	Bend	trans	-88.7	-32.7	178.6	0	0	0	0	0	113.6
218	D	73.1	Confident	85.4	Confident	155 Å²	155	48.7 Å²	48.7	83%	0.829	26%	0.259	S	S	*	.	S	Bend	trans	-122.4	57.1	-172.5	-73.5	-65.6	0	0	0	112
219	T	75.3	Confident	85.7	Confident	25 Å²	25	51 Å²	51	15%	0.153	27%	0.273	C	S	.	.			trans	-85.7	150.1	170.2	38.3	0	0	0	0	112.4	I213 M216 V221	I213-T219 HydrophobicContact CG2-CG2 4.49Å; M216-T219 HydrophobicContact CB-CG2 3.63Å; M216-T219 HydrophobicContact CG-CG2 4.23Å; M216-T219 HydrophobicContact SD-CG2 3.61Å; T219-V221 WeakPolarHBondContact CB-O 3.44Å; T219-V221 PolarHBondContact OG1-O 3.3Å
220	P	79	Confident	86.1	Confident	24 Å²	24	50.4 Å²	50.4	16%	0.156	27%	0.271	C	S	.	.	S	Bend	trans	-74.4	-17.5	165.2	33.4	-35.2	0	0	0	111.7	P177 K191 V192	P177-P220 HydrophobicContact CB-CG 3.92Å; P177-P220 HydrophobicContact CG-CG 4.02Å; P177-P220 WeakPolarHBondContact O-CD 3.48Å; P177-P220 WeakPolarHBondContact O-CG 3.37Å; K191-P220 CarbonylContact C-O 3.59Å; K191-P220 WeakPolarHBondContact CA-O 3.36Å; K191-P220 WeakPolarHBondContact CB-O 3.45Å; V192-P220 PolarHBondContact N-O 3.27Å
221	V	84.1	Confident	86.5	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.9	168.7	-176.6	0	0	0	0	109.2	W176 V192 L194 I213 T219	W176-V221 HydrophobicContact CB-CG2 3.92Å; W176-V221 HydrophobicContact CG-CG2 4.38Å; V192-V221 CarbonylContact O-C 3.57Å; V192-V221 WeakPolarHBondContact O-CA 3.49Å; L194-V221 HydrophobicContact CB-CG1 4Å; L194-V221 HydrophobicContact CD2-CG1 3.87Å; I213-V221 HydrophobicContact CG2-CB 4.33Å; I213-V221 HydrophobicContact CG2-CG1 4.26Å; T219-V221 WeakPolarHBondContact CB-O 3.44Å; T219-V221 PolarHBondContact OG1-O 3.3Å
222	I	87.6	Confident	86.6	Confident	72 Å²	72	54.4 Å²	54.4	37%	0.369	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.4	169.5	-59.1	167.3	0	0	0	107.9	K191 V192 V193 L194	K191-I222 HydrophobicContact CB-CD1 4.04Å; K191-I222 HydrophobicContact CB-CG1 4.46Å; K191-I222 HydrophobicContact CD-CD1 3.64Å; K191-I222 HydrophobicContact CD-CG1 4.09Å; K191-I222 HydrophobicContact CG-CD1 4.49Å; V192-I222 PolarHBondContact O-N 3.17Å; V193-I222 WeakPolarHBondContact CA-O 3.32Å; V193-I222 HydrophobicContact CG2-CD1 4.45Å; L194-I222 PolarHBondContact N-O 3.01Å
223	L	89.8	Confident	86.9	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.6	167.3	-60.9	173.1	0	0	0	109.4	L194 L196 L210 I213 D225 L226 L228	L194-L223 HydrophobicContact CB-CD2 4.41Å; L194-L223 HydrophobicContact CD2-CD2 4.36Å; L194-L223 HydrophobicContact CG-CD2 4.43Å; L194-L223 WeakPolarHBondContact O-CA 3.22Å; L196-L223 HydrophobicContact CD1-CD2 4.22Å; L210-L223 HydrophobicContact CD1-CD2 4.18Å; I213-L223 HydrophobicContact CG2-CD1 4.29Å; I213-L223 HydrophobicContact CG2-CG 4.34Å; L223-D225 VanDerWaalsContact C-N 3.35Å; L223-L226 HydrophobicContact CB-CD2 4.31Å; L223-L228 HydrophobicContact CD1-CD1 3.9Å; L223-L228 HydrophobicContact CD2-CD1 4.32Å
224	M	90.1	Very high	87.2	Confident	62 Å²	62	58.9 Å²	58.9	31%	0.305	33%	0.329	S	S	.	.	S	Bend	trans	-65.5	-38	-178.8	-65.1	-178.6	-169	0	0	112.8	Y157 D159 V193 L194 G195	Y157-M224 HydrophobicContact CD1-CE 4.32Å; Y157-M224 HydrophobicContact CD2-CE 4Å; Y157-M224 HydrophobicContact CE1-CE 3.81Å; Y157-M224 HydrophobicContact CE2-CE 3.44Å; Y157-M224 VanDerWaalsContact CE2-CE 3.44Å; Y157-M224 HydrophobicContact CG-CE 4.41Å; D159-M224 HydrophobicContact CB-CE 3.88Å; D159-M224 HydrophobicContact CB-SD 4.44Å; D159-M224 VanDerWaalsContact OD2-SD 3.37Å; V193-M224 HydrophobicContact CG1-CE 3.74Å; V193-M224 HydrophobicContact CG1-CG 3.64Å; V193-M224 HydrophobicContact CG1-SD 4.49Å; L194-M224 PolarHBondContact O-N 3.46Å; G195-M224 VanDerWaalsContact CA-SD 3.5Å
225	D	87.8	Confident	87.3	Confident	27 Å²	27	63 Å²	63	14%	0.144	35%	0.35	C	S	.	.			trans	-122.5	133.6	164.6	-176.8	13.9	0	0	0	108.6	Q197 L223 F227 R614	Q197-D225 HydrophobicContact CB-CB 4.01Å; Q197-D225 HydrophobicContact CG-CB 4.11Å; L223-D225 VanDerWaalsContact C-N 3.35Å; D225-F227 WeakPolarHBondContact OD1-CB 3.43Å; D225-F227 WeakPolarHBondContact OD1-CD2 3.48Å; D225-F227 PolarHBondContact OD1-N 2.87Å; D225-R614 IonicContact OD1-NH1 3.63Å; D225-R614 IonicContact OD2-CZ 3.32Å; D225-R614 VanDerWaalsContact OD2-CZ 3.32Å; D225-R614 IonicContact OD2-NH1 2.67Å; D225-R614 PolarHBondContact OD2-NH1 2.58Å; D225-R614 IonicContact OD2-NH2 3.26Å; D225-R614 PolarHBondContact OD2-NH2 3.32Å
226	L	84.4	Confident	87.6	Confident	102 Å²	102	59 Å²	59	53%	0.534	33%	0.333	S	S	.	.	S	Bend	trans	-81.4	-21.4	175.5	-66.2	168.4	0	0	0	111.4	L223 L228 Q242	L223-L226 HydrophobicContact CB-CD2 4.31Å; L226-L228 PolarHBondContact O-N 3.06Å; L226-Q242 PolarHBondContact O-NE2 3.15Å; L226-Q242 PolarHBondContact O-OE1 3.13Å
227	F	87.9	Confident	88.1	Confident	120 Å²	120	57.6 Å²	57.6	53%	0.526	34%	0.335	S	S	.	.			trans	-81.3	47.4	-176.4	-57.4	-65.9	0	0	0	113.3	D225 L240	D225-F227 WeakPolarHBondContact OD1-CB 3.43Å; D225-F227 WeakPolarHBondContact OD1-CD2 3.48Å; D225-F227 PolarHBondContact OD1-N 2.87Å; F227-L240 HydrophobicContact CB-CD2 3.96Å; F227-L240 HydrophobicContact CD1-CD1 4.35Å; F227-L240 HydrophobicContact CD1-CD2 4.2Å
228	L	93.2	Very high	89.1	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	32%	0.322	C	S	.	.			trans	-67.6	132.1	171.8	-59.6	-177.5	0	0	0	110.3	L196 Q197 L223 L226 L240 F241	L196-L228 HydrophobicContact CB-CD1 4.3Å; L196-L228 HydrophobicContact CB-CD2 4.09Å; Q197-L228 HydrophobicContact CB-CD2 4.06Å; L223-L228 HydrophobicContact CD1-CD1 3.9Å; L223-L228 HydrophobicContact CD2-CD1 4.32Å; L226-L228 PolarHBondContact O-N 3.06Å; L228-L240 CarbonylContact O-C 3.43Å; L228-L240 WeakPolarHBondContact O-CA 3.46Å; L228-F241 HydrophobicContact CB-CB 4.34Å; L228-F241 HydrophobicContact CB-CD1 4.13Å; L228-F241 HydrophobicContact CB-CD2 3.55Å; L228-F241 HydrophobicContact CB-CE1 4.35Å; L228-F241 HydrophobicContact CB-CE2 3.8Å; L228-F241 HydrophobicContact CB-CG 3.73Å; L228-F241 HydrophobicContact CB-CZ 4.2Å; L228-F241 HydrophobicContact CD1-CD2 3.71Å; L228-F241 HydrophobicContact CD1-CE2 3.72Å; L228-F241 HydrophobicContact CG-CD2 4.29Å; L228-F241 HydrophobicContact CG-CE2 4.41Å; L228-F241 PolarHBondContact O-N 3.41Å
229	T	94.4	Very high	90.1	Very high	61 Å²	61	50 Å²	50	37%	0.374	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-118.3	145.4	179	48.9	0	0	0	0	112.1	V239 L240	T229-V239 WeakPolarHBondContact CA-O 3.49Å; T229-L240 HydrophobicContact CG2-CD2 3.75Å; T229-L240 HydrophobicContact CG2-CG 4.36Å
230	C	96	Very high	91.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	30%	0.296	C	S	.	.			trans	-68.7	136.4	163.2	-62.7	0	0	0	0	109.5	C203 L236 G238 V239	C203-C230 HydrophobicContact CB-CB 3.76Å; C203-C230 WeakPolarHBondContact CB-SG 3.28Å; C203-C230 VanDerWaalsContact SG-CA 3.51Å; C203-C230 WeakPolarHBondContact SG-CB 3.26Å; C203-C230 CovalentContact SG-SG 2.02Å; C203-C230 PolarHBondContact SG-SG 3.38Å; C230-L236 HydrophobicContact CB-CB 4.03Å; C230-L236 WeakPolarHBondContact CB-O 3.37Å; C230-G238 PolarHBondContact O-N 2.8Å; C230-V239 PolarHBondContact N-O 3.34Å
231	A	96.3	Very high	91.8	Very high	42 Å²	42	49.4 Å²	49.4	35%	0.347	29%	0.289	S	S	.	.			trans	-101.5	-26.5	172	0	0	0	0	0	112.1	P200 W201	P200-A231 HydrophobicContact CB-CB 4.2Å; W201-A231 PolarHBondContact O-N 3Å
232	T	93.6	Very high	92.1	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-148.1	160.6	178.8	40.4	0	0	0	0	109.3	W201 F202 C203	W201-T232 PolarHBondContact O-N 3.1Å; W201-T232 VanDerWaalsContact O-N 3.09Å; W201-T232 PolarHBondContact O-OG1 2.61Å; F202-T232 WeakPolarHBondContact CA-OG1 3.49Å; F202-T232 VanDerWaalsContact CD2-OG1 3.28Å; F202-T232 WeakPolarHBondContact CD2-OG1 3.49Å; C203-T232 PolarHBondContact N-O 2.92Å
233	P	93.6	Very high	92.3	Very high	39 Å²	39	57.1 Å²	57.1	25%	0.253	32%	0.315	S	S	.	.	S	Bend	cis	-70.3	176.2	-7.1	-4.5	21.8	0	0	0	111.8	F202 N235 L236 A237	F202-P233 HydrophobicContact CE2-CG 4.34Å; F202-P233 HydrophobicContact CZ-CG 4.3Å; P233-N235 WeakPolarHBondContact CB-OD1 3.27Å; P233-N235 PolarHBondContact O-N 2.98Å; P233-N235 VanDerWaalsContact O-N 3.09Å; P233-L236 CarbonylContact O-C 3.42Å; P233-L236 PolarHBondContact O-N 2.95Å; P233-A237 PolarHBondContact O-N 2.77Å
234	D	91.9	Very high	92.4	Very high	152 Å²	152	56.5 Å²	56.5	81%	0.813	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	-174.3	-57.7	-36.5	0	0	0	113.7	L236	D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 PolarHBondContact O-N 3.18Å
235	N	91.8	Very high	92.3	Very high	94 Å²	94	61.5 Å²	61.5	50%	0.503	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.6	174.7	61.3	-9.8	0	0	0	114	P233 E247	P233-N235 WeakPolarHBondContact CB-OD1 3.27Å; P233-N235 PolarHBondContact O-N 2.98Å; P233-N235 VanDerWaalsContact O-N 3.09Å; N235-E247 PolarHBondContact ND2-OE1 2.98Å
236	L	93.8	Very high	92.3	Very high	18 Å²	18	62.2 Å²	62.2	9%	0.094	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-2.7	179.8	-66.4	177.1	0	0	0	113.1	C203 C230 P233 D234 G238 V239 L246	C203-L236 HydrophobicContact CB-CB 4.41Å; C203-L236 HydrophobicContact CB-CD1 3.73Å; C230-L236 HydrophobicContact CB-CB 4.03Å; C230-L236 WeakPolarHBondContact CB-O 3.37Å; P233-L236 CarbonylContact O-C 3.42Å; P233-L236 PolarHBondContact O-N 2.95Å; D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 PolarHBondContact O-N 3.18Å; L236-G238 PolarHBondContact O-N 2.99Å; L236-V239 HydrophobicContact CD2-CG2 4.44Å; L236-V239 WeakPolarHBondContact O-CB 3.32Å; L236-V239 VanDerWaalsContact O-CG2 3.32Å; L236-V239 WeakPolarHBondContact O-CG2 3.3Å; L236-V239 PolarHBondContact O-N 3.38Å; L236-L246 HydrophobicContact CD1-CD2 4.17Å
237	A	94.8	Very high	91.8	Very high	51 Å²	51	63.9 Å²	63.9	42%	0.421	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	125	-179.8	0	0	0	0	0	112.1	P233 V239	P233-A237 PolarHBondContact O-N 2.77Å; A237-V239 VanDerWaalsContact C-N 3.3Å; A237-V239 PolarHBondContact O-N 2.67Å
238	G	93	Very high	91.4	Very high	52 Å²	52	65.4 Å²	65.4	54%	0.536	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-5.8	-175.6	0	0	0	0	0	115.5	C230 L236	C230-G238 PolarHBondContact O-N 2.8Å; L236-G238 PolarHBondContact O-N 2.99Å
239	V	94.6	Very high	91.3	Very high	39 Å²	39	67.5 Å²	67.5	24%	0.236	37%	0.372	C	S	.	.			trans	-74.4	129	178.4	-178.8	0	0	0	0	110.3	T229 C230 L236 A237 R243 A244	T229-V239 WeakPolarHBondContact CA-O 3.49Å; C230-V239 PolarHBondContact N-O 3.34Å; L236-V239 HydrophobicContact CD2-CG2 4.44Å; L236-V239 WeakPolarHBondContact O-CB 3.32Å; L236-V239 VanDerWaalsContact O-CG2 3.32Å; L236-V239 WeakPolarHBondContact O-CG2 3.3Å; L236-V239 PolarHBondContact O-N 3.38Å; A237-V239 VanDerWaalsContact C-N 3.3Å; A237-V239 PolarHBondContact O-N 2.67Å; V239-R243 HydrophobicContact CG1-CB 4.32Å; V239-A244 HydrophobicContact CG1-CB 4.32Å
240	L	94.6	Very high	91.2	Very high	37 Å²	37	68.2 Å²	68.2	19%	0.194	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-65.7	139.6	173.2	-74.8	171.5	0	0	0	110.9	F227 L228 T229 Q242 R243 A244	F227-L240 HydrophobicContact CB-CD2 3.96Å; F227-L240 HydrophobicContact CD1-CD1 4.35Å; F227-L240 HydrophobicContact CD1-CD2 4.2Å; L228-L240 CarbonylContact O-C 3.43Å; L228-L240 WeakPolarHBondContact O-CA 3.46Å; T229-L240 HydrophobicContact CG2-CD2 3.75Å; T229-L240 HydrophobicContact CG2-CG 4.36Å; L240-Q242 PolarHBondContact O-N 2.97Å; L240-Q242 VanDerWaalsContact O-N 3.13Å; L240-R243 CarbonylContact O-C 3.07Å; L240-R243 WeakPolarHBondContact O-CA 3.36Å; L240-R243 PolarHBondContact O-N 2.91Å; L240-A244 PolarHBondContact O-N 3.27Å
241	F	94.1	Very high	91	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-54.5	-36.5	-179	-75.9	10.8	0	0	0	112.8	W201 I207 L210 I211 S214 K215 L228 R243 A244	W201-F241 HydrophobicContact CB-CE1 4.14Å; W201-F241 HydrophobicContact CB-CZ 3.88Å; W201-F241 AromaticContact CD1-CZ 3.58Å; W201-F241 HydrophobicContact CD2-CZ 4.33Å; W201-F241 HydrophobicContact CG-CE1 4.28Å; W201-F241 AromaticContact CG-CZ 3.64Å; W201-F241 HydrophobicContact CG-CZ 3.64Å; I207-F241 HydrophobicContact CD1-CE2 4.35Å; I207-F241 HydrophobicContact CD1-CZ 3.96Å; L210-F241 HydrophobicContact CD2-CE2 3.83Å; L210-F241 HydrophobicContact CG-CD2 4.39Å; L210-F241 HydrophobicContact CG-CE2 3.94Å; I211-F241 HydrophobicContact CG1-CB 4.06Å; I211-F241 HydrophobicContact CG1-CD1 4.14Å; I211-F241 HydrophobicContact CG1-CD2 3.84Å; I211-F241 HydrophobicContact CG1-CE2 4.29Å; I211-F241 HydrophobicContact CG1-CG 3.77Å; S214-F241 VanDerWaalsContact OG-CB 3.23Å; S214-F241 WeakPolarHBondContact OG-CB 3.49Å; K215-F241 WeakPolarHBondContact CE-O 3.17Å; L228-F241 HydrophobicContact CB-CB 4.34Å; L228-F241 HydrophobicContact CB-CD1 4.13Å; L228-F241 HydrophobicContact CB-CD2 3.55Å; L228-F241 HydrophobicContact CB-CE1 4.35Å; L228-F241 HydrophobicContact CB-CE2 3.8Å; L228-F241 HydrophobicContact CB-CG 3.73Å; L228-F241 HydrophobicContact CB-CZ 4.2Å; L228-F241 HydrophobicContact CD1-CD2 3.71Å; L228-F241 HydrophobicContact CD1-CE2 3.72Å; L228-F241 HydrophobicContact CG-CD2 4.29Å; L228-F241 HydrophobicContact CG-CE2 4.41Å; L228-F241 PolarHBondContact O-N 3.41Å; F241-R243 PolarHBondContact O-N 3.34Å; F241-R243 VanDerWaalsContact O-N 3.07Å; F241-A244 PolarHBondContact O-N 3.48Å; F241-A244 VanDerWaalsContact O-N 3.1Å
242	Q	90.9	Very high	91	Very high	64 Å²	64	73.7 Å²	73.7	30%	0.299	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-58.4	-24.3	175.4	-67.1	77.7	17.6	0	0	113.8	S214 K215 L226 L240	S214-Q242 WeakPolarHBondContact O-CG 3.4Å; S214-Q242 PolarHBondContact O-NE2 3.16Å; K215-Q242 WeakPolarHBondContact CE-O 3.42Å; L226-Q242 PolarHBondContact O-NE2 3.15Å; L226-Q242 PolarHBondContact O-OE1 3.13Å; L240-Q242 PolarHBondContact O-N 2.97Å; L240-Q242 VanDerWaalsContact O-N 3.13Å
243	R	92.1	Very high	91.1	Very high	174 Å²	174	74.8 Å²	74.8	66%	0.657	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-115.1	4.2	180	-61.8	-175.6	-67.1	150.4	0.7	113.1	V239 L240 F241 E245	V239-R243 HydrophobicContact CG1-CB 4.32Å; L240-R243 CarbonylContact O-C 3.07Å; L240-R243 WeakPolarHBondContact O-CA 3.36Å; L240-R243 PolarHBondContact O-N 2.91Å; F241-R243 PolarHBondContact O-N 3.34Å; F241-R243 VanDerWaalsContact O-N 3.07Å; R243-E245 PolarHBondContact O-N 2.84Å
244	A	91.4	Very high	91.3	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.008	40%	0.397	C	S	.	.			trans	-74.3	120.6	176.2	0	0	0	0	0	109.7	I211 K215 V239 L240 F241	I211-A244 HydrophobicContact CD1-CB 4.08Å; I211-A244 HydrophobicContact CG2-CB 4.34Å; K215-A244 PolarHBondContact NZ-O 3.29Å; V239-A244 HydrophobicContact CG1-CB 4.32Å; L240-A244 PolarHBondContact O-N 3.27Å; F241-A244 PolarHBondContact O-N 3.48Å; F241-A244 VanDerWaalsContact O-N 3.1Å
245	E	88.5	Confident	91.4	Very high	166 Å²	166	73.1 Å²	73.1	78%	0.776	39%	0.389	S	S	*	.			trans	-105.8	119.6	168.9	-67.9	-178.2	-173.3	0	0	107.2	R243	R243-E245 PolarHBondContact O-N 2.84Å
246	L	88.2	Confident	91.5	Very high	42 Å²	42	69.7 Å²	69.7	22%	0.22	37%	0.372	C	S	.	.			trans	-87.7	149.9	-177.5	-64.3	173.7	0	0	0	110.4	C203 D204 I211 L236	C203-L246 HydrophobicContact CB-CD2 4.04Å; C203-L246 WeakPolarHBondContact O-CD2 3.37Å; D204-L246 WeakPolarHBondContact O-CD1 3.47Å; I211-L246 HydrophobicContact CD1-CD1 4.05Å; I211-L246 HydrophobicContact CD1-CD2 3.86Å; I211-L246 HydrophobicContact CD1-CG 4.14Å; L236-L246 HydrophobicContact CD1-CD2 4.17Å
247	E	73.4	Confident	91.4	Very high	138 Å²	138	72.5 Å²	72.5	65%	0.645	39%	0.393	S	S	*	.	S	Bend	trans	-58.5	152	171.2	-62.9	-177.7	-167.3	0	0	111.1	C205 N235 C249	C205-E247 PolarHBondContact SG-O 2.66Å; N235-E247 PolarHBondContact ND2-OE1 2.98Å; E247-C249 PolarHBondContact O-N 3.35Å; E247-C249 PolarHBondContact O-SG 3.11Å; E247-C249 VanDerWaalsContact O-SG 3.35Å
248	N	79.8	Confident	91.2	Very high	151 Å²	151	71.6 Å²	71.6	81%	0.807	39%	0.386	S	S	*	.			trans	-48.8	98.3	-166.3	-85.1	-24.7	0	0	0	114.3	V250	N248-V250 WeakPolarHBondContact O-CG2 3.48Å; N248-V250 PolarHBondContact O-N 3.14Å
249	C	90	Very high	91.1	Very high	48 Å²	48	74.4 Å²	74.4	32%	0.324	39%	0.392	S	S	.	.			trans	-74	123.5	172.2	-50.8	0	0	0	0	109.8	C205 E247 A331	C205-C249 VanDerWaalsContact CA-SG 3.56Å; C205-C249 HydrophobicContact CB-CB 3.89Å; C205-C249 WeakPolarHBondContact CB-SG 3.25Å; C205-C249 WeakPolarHBondContact SG-CA 3.39Å; C205-C249 WeakPolarHBondContact SG-CB 3.47Å; C205-C249 CovalentContact SG-SG 2.04Å; C205-C249 PolarHBondContact SG-SG 2.74Å; E247-C249 PolarHBondContact O-N 3.35Å; E247-C249 PolarHBondContact O-SG 3.11Å; E247-C249 VanDerWaalsContact O-SG 3.35Å; C249-A331 HydrophobicContact CB-CB 4.06Å
250	V	92.4	Very high	91.1	Very high	76 Å²	76	78.8 Å²	78.8	46%	0.461	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.5	-171.8	-177.5	0	0	0	0	109.3	N248 G277 S278 N329	N248-V250 WeakPolarHBondContact O-CG2 3.48Å; N248-V250 PolarHBondContact O-N 3.14Å; V250-G277 CarbonylContact O-C 3.6Å; V250-G277 WeakPolarHBondContact O-CA 3.11Å; V250-S278 PolarHBondContact N-O 2.86Å; V250-S278 PolarHBondContact O-N 2.84Å; V250-N329 PolarHBondContact O-ND2 3.23Å
251	K	92.1	Very high	91.1	Very high	151 Å²	151	78.6 Å²	78.6	66%	0.657	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	153	172.5	71.6	-179.5	-177.9	179.4	0	111.2	A331	K251-A331 HydrophobicContact CB-CB 4.43Å; K251-A331 VanDerWaalsContact CB-O 3.3Å; K251-A331 WeakPolarHBondContact CB-O 3.2Å
252	P	95.9	Very high	91	Very high	7 Å²	7	83.1 Å²	83.1	5%	0.045	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	141.7	-176.1	-20.1	34.4	0	0	0	112.1	S276 P281 A327 N329 G332 A334	P252-S276 CarbonylContact C-O 3.57Å; P252-S276 VanDerWaalsContact CA-O 3.31Å; P252-S276 WeakPolarHBondContact CA-O 3.48Å; P252-P281 HydrophobicContact CB-CB 4.04Å; P252-P281 HydrophobicContact CB-CG 4.47Å; P252-P281 HydrophobicContact CG-CB 4.04Å; P252-A327 HydrophobicContact CB-CB 3.65Å; P252-A327 HydrophobicContact CG-CB 4.39Å; P252-N329 WeakPolarHBondContact CD-OD1 3.49Å; P252-N329 HydrophobicContact CG-CB 4.28Å; P252-G332 VanDerWaalsContact CD-C 3.46Å; P252-G332 VanDerWaalsContact CD-O 3.24Å; P252-G332 WeakPolarHBondContact CD-O 3.31Å; P252-G332 WeakPolarHBondContact CG-O 3.27Å; P252-A334 HydrophobicContact CB-CB 4.32Å; P252-A334 WeakPolarHBondContact O-CB 3.32Å
253	S	96.4	Very high	91.2	Very high	70 Å²	70	80.6 Å²	80.6	49%	0.49	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.2	161.9	-174.2	0	0	0	0	108.2	A275 S276	S253-A275 WeakPolarHBondContact O-CA 3.25Å; S253-A275 WeakPolarHBondContact O-CB 3.34Å; S253-S276 PolarHBondContact N-O 3.48Å; S253-S276 PolarHBondContact O-N 3.14Å
254	V	96.5	Very high	91.2	Very high	26 Å²	26	76.4 Å²	76.4	16%	0.158	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.8	-177.8	-171	0	0	0	0	110.1	C273 A275 A327 A334 A336	V254-C273 WeakPolarHBondContact CG1-SG 3.26Å; V254-A275 HydrophobicContact CG2-CB 4.29Å; V254-A327 HydrophobicContact CG2-CB 3.34Å; V254-A334 HydrophobicContact CG2-CB 3.89Å; V254-A336 HydrophobicContact CB-CB 4.05Å; V254-A336 HydrophobicContact CG1-CB 3.62Å
255	M	95.1	Very high	91.3	Very high	130 Å²	130	79.5 Å²	79.5	64%	0.64	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	146.8	175.1	-172.2	169.5	65.2	0	0	108.8	D274	M255-D274 PolarHBondContact N-O 2.98Å; M255-D274 PolarHBondContact O-N 3.38Å; M255-D274 VanDerWaalsContact O-O 3.11Å
256	T	94	Very high	91.4	Very high	23 Å²	23	74.2 Å²	74.2	14%	0.141	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.1	175.8	49	0	0	0	0	109.5	A258 R272 C273 A336 I338	T256-A258 PolarHBondContact O-N 3.3Å; T256-A258 PolarHBondContact OG1-O 3.46Å; T256-R272 WeakPolarHBondContact CA-O 3.37Å; T256-C273 HydrophobicContact CG2-CB 4.47Å; T256-A336 HydrophobicContact CG2-CB 3.77Å; T256-I338 HydrophobicContact CG2-CD1 3.76Å; T256-I338 HydrophobicContact CG2-CG1 3.71Å
257	S	90.6	Very high	91.6	Very high	77 Å²	77	73.9 Å²	73.9	54%	0.538	43%	0.425	S	S	.	.	S	Bend	trans	-65.6	-22.3	-178.3	58	0	0	0	0	113.6	R272	S257-R272 PolarHBondContact N-O 3.48Å; S257-R272 VanDerWaalsContact N-O 3.12Å
258	A	90.8	Very high	92.6	Very high	32 Å²	32	72.4 Å²	72.4	26%	0.264	42%	0.422	S	S	.	.			trans	-157.4	145.1	170.6	0	0	0	0	0	109.7	T256 I261 I338	T256-A258 PolarHBondContact O-N 3.3Å; T256-A258 PolarHBondContact OG1-O 3.46Å; A258-I261 HydrophobicContact CB-CD1 4.33Å; A258-I261 HydrophobicContact CB-CG1 3.92Å; A258-I338 WeakPolarHBondContact O-CG1 3.3Å; A258-I338 WeakPolarHBondContact O-CG2 3.18Å
259	T	92.7	Very high	93.2	Very high	111 Å²	111	65.8 Å²	65.8	68%	0.681	39%	0.387	S	S	*	.	S	Bend	trans	-81.9	-22.6	173.5	51.8	0	0	0	0	113.1	I338 S339	T259-I338 WeakPolarHBondContact O-CA 3.16Å; T259-S339 PolarHBondContact O-N 2.96Å
260	K	94.1	Very high	93.4	Very high	130 Å²	130	68.7 Å²	68.7	57%	0.565	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.8	175.7	-178.9	176.2	178	178.4	0	110.3	S339	K260-S339 WeakPolarHBondContact CA-O 3.3Å
261	I	93.5	Very high	93.5	Very high	34 Å²	34	65.1 Å²	65.1	17%	0.174	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.2	175.8	-65.1	174.9	0	0	0	109	A258 V269 L271 I338 S339 L340 T341	A258-I261 HydrophobicContact CB-CD1 4.33Å; A258-I261 HydrophobicContact CB-CG1 3.92Å; I261-V269 HydrophobicContact CD1-CG1 4.37Å; I261-V269 HydrophobicContact CG2-CG1 4.22Å; I261-V269 HydrophobicContact CG2-CG2 4.49Å; I261-L271 HydrophobicContact CD1-CD2 3.63Å; I261-I338 HydrophobicContact CD1-CG2 4.02Å; I261-I338 HydrophobicContact CG1-CG2 4.18Å; I261-S339 PolarHBondContact N-O 3.29Å; I261-L340 HydrophobicContact CB-CD1 4.08Å; I261-L340 HydrophobicContact CG2-CD1 3.82Å; I261-T341 PolarHBondContact O-N 2.82Å; I261-T341 PolarHBondContact O-OG1 3.03Å
262	T	93.6	Very high	93.6	Very high	94 Å²	94	61.2 Å²	61.2	58%	0.577	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.5	172.2	-47.8	0	0	0	0	107.9	T341 A343	T262-T341 CarbonylContact C-O 3.02Å; T262-T341 WeakPolarHBondContact CA-O 3.28Å; T262-T341 PolarHBondContact OG1-OG1 2.79Å; T262-A343 HydrophobicContact CG2-CB 4.05Å
263	S	93.1	Very high	93.6	Very high	12 Å²	12	60.9 Å²	60.9	8%	0.084	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.7	-178.1	-178.3	0	0	0	0	111.1	S267 V269 T341 V342 A343	S263-S267 WeakPolarHBondContact OG-CB 3.45Å; S263-V269 WeakPolarHBondContact OG-CG2 3.43Å; S263-T341 PolarHBondContact N-O 2.64Å; S263-V342 CarbonylContact O-C 3.08Å; S263-V342 WeakPolarHBondContact O-CA 3.33Å; S263-A343 PolarHBondContact O-N 2.92Å
264	T	93.3	Very high	93.6	Very high	85 Å²	85	59.4 Å²	59.4	52%	0.521	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	156	168	32.9	0	0	0	0	112	S267 A343	T264-S267 VanDerWaalsContact O-CB 3.25Å; T264-S267 WeakPolarHBondContact O-CB 3.4Å; T264-S267 PolarHBondContact O-N 2.9Å; T264-S267 PolarHBondContact O-OG 2.93Å; T264-S267 PolarHBondContact OG1-OG 3.02Å; T264-A343 WeakPolarHBondContact CA-O 3.21Å
265	L	92.6	Very high	93.6	Very high	67 Å²	67	58.4 Å²	58.4	35%	0.351	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	146.3	170.3	-71.6	164.9	0	0	0	111.6	S267 I315 V342 A343	L265-S267 PolarHBondContact O-N 3.16Å; L265-S267 VanDerWaalsContact O-N 3.09Å; L265-I315 CarbonylContact C-O 3.57Å; L265-I315 WeakPolarHBondContact CA-O 3.22Å; L265-V342 HydrophobicContact CD2-CG1 3.54Å; L265-V342 HydrophobicContact CG-CG1 3.92Å; L265-A343 PolarHBondContact N-O 3.02Å
266	G	91.1	Very high	93.6	Very high	54 Å²	54	55 Å²	55	56%	0.557	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	1.1	179.9	0	0	0	0	0	115.1	I315	G266-I315 PolarHBondContact N-O 3.39Å
267	S	93.1	Very high	93.6	Very high	36 Å²	36	54.3 Å²	54.3	25%	0.252	32%	0.324	S	S	.	.			trans	-85.8	158.5	-179.9	-54.2	0	0	0	0	111.7	S263 T264 L265 G314 I315	S263-S267 WeakPolarHBondContact OG-CB 3.45Å; T264-S267 VanDerWaalsContact O-CB 3.25Å; T264-S267 WeakPolarHBondContact O-CB 3.4Å; T264-S267 PolarHBondContact O-N 2.9Å; T264-S267 PolarHBondContact O-OG 2.93Å; T264-S267 PolarHBondContact OG1-OG 3.02Å; L265-S267 PolarHBondContact O-N 3.16Å; L265-S267 VanDerWaalsContact O-N 3.09Å; S267-G314 PolarHBondContact O-N 2.82Å; S267-I315 WeakPolarHBondContact O-CB 3.45Å; S267-I315 PolarHBondContact O-N 2.92Å
268	N	93.4	Very high	93.7	Very high	106 Å²	106	53 Å²	53	57%	0.567	31%	0.314	S	S	*	.			trans	-98.1	138.4	174.7	-63	-11.4	0	0	0	109.8	L312 H313 G314	N268-L312 CarbonylContact C-O 3.41Å; N268-L312 VanDerWaalsContact CA-O 3.27Å; N268-L312 WeakPolarHBondContact CA-O 3.46Å; N268-H313 PolarHBondContact ND2-ND1 2.76Å; N268-H313 VanDerWaalsContact OD1-CA 3.26Å; N268-H313 WeakPolarHBondContact OD1-CA 3.24Å; N268-G314 PolarHBondContact OD1-N 2.91Å
269	V	93	Very high	93.7	Very high	13 Å²	13	52.4 Å²	52.4	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.9	178.5	167.9	0	0	0	0	110.3	I261 S263 L271 L312 I315 L340	I261-V269 HydrophobicContact CD1-CG1 4.37Å; I261-V269 HydrophobicContact CG2-CG1 4.22Å; I261-V269 HydrophobicContact CG2-CG2 4.49Å; S263-V269 WeakPolarHBondContact OG-CG2 3.43Å; V269-L271 HydrophobicContact CG1-CD2 3.58Å; V269-L271 HydrophobicContact CG1-CG 4.28Å; V269-L312 PolarHBondContact N-O 3.16Å; V269-L312 PolarHBondContact O-N 3.39Å; V269-I315 HydrophobicContact CB-CD1 3.64Å; V269-I315 HydrophobicContact CG2-CD1 3.43Å; V269-I315 VanDerWaalsContact CG2-CD1 3.43Å; V269-L340 HydrophobicContact CG1-CD1 4.38Å; V269-L340 HydrophobicContact CG2-CD1 4.47Å
270	L	93.8	Very high	93.7	Very high	109 Å²	109	49.4 Å²	49.4	57%	0.571	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.2	171.8	-58.6	179.3	0	0	0	108.8	I309 M310 S311	L270-I309 HydrophobicContact CB-CG2 4.04Å; L270-I309 HydrophobicContact CD2-CG2 4.07Å; L270-I309 HydrophobicContact CG-CG2 4.49Å; L270-M310 WeakPolarHBondContact CA-O 3.1Å; L270-S311 VanDerWaalsContact CD2-CB 3.49Å
271	L	94.6	Very high	93.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.4	174.1	-53.3	-176.5	0	0	0	108	I261 V269 W285 I309 M310 L312 Y323 I338	I261-L271 HydrophobicContact CD1-CD2 3.63Å; V269-L271 HydrophobicContact CG1-CD2 3.58Å; V269-L271 HydrophobicContact CG1-CG 4.28Å; L271-W285 HydrophobicContact CB-CH2 3.7Å; L271-W285 HydrophobicContact CB-CZ2 4.42Å; L271-W285 HydrophobicContact CB-CZ3 4.03Å; L271-W285 HydrophobicContact CD1-CZ3 4.4Å; L271-W285 WeakPolarHBondContact O-CH2 3.39Å; L271-W285 VanDerWaalsContact O-CZ2 3.31Å; L271-W285 WeakPolarHBondContact O-CZ2 3.38Å; L271-I309 CarbonylContact O-C 3.5Å; L271-I309 WeakPolarHBondContact O-CA 3.45Å; L271-M310 HydrophobicContact CB-CB 4.08Å; L271-M310 HydrophobicContact CB-CG 4.24Å; L271-M310 HydrophobicContact CD1-CG 3.95Å; L271-M310 HydrophobicContact CG-CG 4.3Å; L271-M310 PolarHBondContact N-O 2.22Å; L271-M310 PolarHBondContact O-N 3.48Å; L271-L312 HydrophobicContact CD1-CD1 4.25Å; L271-Y323 HydrophobicContact CD1-CD1 3.79Å; L271-Y323 HydrophobicContact CD1-CD2 3.94Å; L271-Y323 HydrophobicContact CD1-CE1 4.4Å; L271-Y323 HydrophobicContact CD1-CG 3.52Å; L271-I338 HydrophobicContact CB-CD1 4.07Å; L271-I338 HydrophobicContact CD2-CG2 4.18Å
272	R	95.1	Very high	93.6	Very high	69 Å²	69	43.3 Å²	43.3	26%	0.26	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.6	177.3	-175.8	178.8	175.7	97.8	2.3	111.7	T256 S257 D274 W307 I309	T256-R272 WeakPolarHBondContact CA-O 3.37Å; S257-R272 PolarHBondContact N-O 3.48Å; S257-R272 VanDerWaalsContact N-O 3.12Å; R272-D274 WeakPolarHBondContact CD-OD2 3.43Å; R272-D274 IonicContact CZ-OD1 2.76Å; R272-D274 VanDerWaalsContact CZ-OD1 3.31Å; R272-D274 IonicContact CZ-OD2 2.67Å; R272-D274 IonicContact NE-OD1 2.77Å; R272-D274 PolarHBondContact NE-OD1 3.18Å; R272-D274 IonicContact NE-OD2 3.82Å; R272-D274 PolarHBondContact NE-OD2 3.09Å; R272-D274 IonicContact NH2-OD1 2.74Å; R272-D274 PolarHBondContact NH2-OD1 2.87Å; R272-D274 IonicContact NH2-OD2 3.96Å; R272-W307 VanDerWaalsContact NH1-CD2 3.28Å; R272-W307 VanDerWaalsContact NH2-CB 3.35Å; R272-I309 HydrophobicContact CB-CG1 4.04Å; R272-I309 HydrophobicContact CG-CG1 3.97Å
273	C	95.5	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.2	173	178.7	0	0	0	0	109.5	V254 T256 W285 W307 S308 C325	V254-C273 WeakPolarHBondContact CG1-SG 3.26Å; T256-C273 HydrophobicContact CG2-CB 4.47Å; C273-W285 HydrophobicContact CB-CH2 3.73Å; C273-W285 HydrophobicContact CB-CZ2 3.42Å; C273-W285 VanDerWaalsContact CB-CZ2 3.42Å; C273-W307 CarbonylContact O-C 3.54Å; C273-W307 VanDerWaalsContact O-CA 3.31Å; C273-W307 WeakPolarHBondContact O-CA 3.19Å; C273-W307 WeakPolarHBondContact O-CB 3.44Å; C273-S308 PolarHBondContact N-O 2.84Å; C273-S308 PolarHBondContact O-N 2.85Å; C273-C325 HydrophobicContact CB-CB 3.61Å; C273-C325 WeakPolarHBondContact CB-SG 3.49Å; C273-C325 WeakPolarHBondContact SG-CB 3.28Å; C273-C325 CovalentContact SG-SG 2.03Å; C273-C325 PolarHBondContact SG-SG 2.88Å
274	D	96.1	Very high	93.6	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.3	177.3	-70.8	-86.6	0	0	0	108.5	M255 R272 W307	M255-D274 PolarHBondContact N-O 2.98Å; M255-D274 PolarHBondContact O-N 3.38Å; M255-D274 VanDerWaalsContact O-O 3.11Å; R272-D274 WeakPolarHBondContact CD-OD2 3.43Å; R272-D274 IonicContact CZ-OD1 2.76Å; R272-D274 VanDerWaalsContact CZ-OD1 3.31Å; R272-D274 IonicContact CZ-OD2 2.67Å; R272-D274 IonicContact NE-OD1 2.77Å; R272-D274 PolarHBondContact NE-OD1 3.18Å; R272-D274 IonicContact NE-OD2 3.82Å; R272-D274 PolarHBondContact NE-OD2 3.09Å; R272-D274 IonicContact NH2-OD1 2.74Å; R272-D274 PolarHBondContact NH2-OD1 2.87Å; R272-D274 IonicContact NH2-OD2 3.96Å; D274-W307 WeakPolarHBondContact OD1-CB 3.39Å
275	A	96.8	Very high	93.7	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.9	178.2	0	0	0	0	0	113.2	S253 V254 P281 L283 N306 A327	S253-A275 WeakPolarHBondContact O-CA 3.25Å; S253-A275 WeakPolarHBondContact O-CB 3.34Å; V254-A275 HydrophobicContact CG2-CB 4.29Å; A275-P281 HydrophobicContact CB-CG 3.93Å; A275-L283 HydrophobicContact CB-CD2 3.72Å; A275-N306 PolarHBondContact N-O 3.47Å; A275-N306 PolarHBondContact O-N 3.3Å; A275-N306 VanDerWaalsContact O-O 3.08Å; A275-A327 HydrophobicContact CB-CB 3.92Å
276	S	95.8	Very high	93.7	Very high	58 Å²	58	41.4 Å²	41.4	41%	0.406	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.1	175.4	57.6	0	0	0	0	111.4	P252 S253 G304	P252-S276 CarbonylContact C-O 3.57Å; P252-S276 VanDerWaalsContact CA-O 3.31Å; P252-S276 WeakPolarHBondContact CA-O 3.48Å; S253-S276 PolarHBondContact N-O 3.48Å; S253-S276 PolarHBondContact O-N 3.14Å; S276-G304 CarbonylContact C-O 3.56Å; S276-G304 VanDerWaalsContact CA-O 3.23Å; S276-G304 WeakPolarHBondContact CA-O 3.44Å
277	G	93.8	Very high	93.8	Very high	9 Å²	9	39.6 Å²	39.6	9%	0.093	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	165.5	179.5	0	0	0	0	0	111.2	V250 P279 G304	V250-G277 CarbonylContact O-C 3.6Å; V250-G277 WeakPolarHBondContact O-CA 3.11Å; G277-P279 CarbonylContact C-O 3.53Å; G277-P279 VanDerWaalsContact C-O 3.32Å; G277-P279 CarbonylContact O-C 3.55Å; G277-G304 PolarHBondContact N-O 3.31Å; G277-G304 CarbonylContact O-C 3.59Å; G277-G304 WeakPolarHBondContact O-CA 3.48Å
278	S	91.6	Very high	93.5	Very high	49 Å²	49	42 Å²	42	34%	0.343	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.5	177.7	-177.5	0	0	0	0	109.9	V250 N329	V250-S278 PolarHBondContact N-O 2.86Å; V250-S278 PolarHBondContact O-N 2.84Å; S278-N329 PolarHBondContact O-ND2 3.29Å
279	P	91.6	Very high	93	Very high	20 Å²	20	41.4 Å²	41.4	13%	0.13	23%	0.234	C	C	.	.	S	Bend	cis	-67.1	169.9	-3.2	-17.2	32.6	0	0	0	113.3	C205 K206 G277 N329 V330	C205-P279 HydrophobicContact CB-CG 3.75Å; K206-P279 HydrophobicContact CG-CB 4.47Å; K206-P279 HydrophobicContact CG-CG 3.96Å; G277-P279 CarbonylContact C-O 3.53Å; G277-P279 VanDerWaalsContact C-O 3.32Å; G277-P279 CarbonylContact O-C 3.55Å; P279-N329 WeakPolarHBondContact O-CB 3.47Å; P279-N329 PolarHBondContact O-ND2 2.88Å; P279-V330 HydrophobicContact CG-CG2 3.67Å
280	T	92.1	Very high	92.3	Very high	48 Å²	48	44.2 Å²	44.2	29%	0.294	27%	0.266	S	S	.	.			trans	-45.7	120.7	174.9	-47.6	0	0	0	0	111.5	G304 N306	T280-G304 PolarHBondContact OG1-N 3.36Å; T280-N306 HydrophobicContact CG2-CB 4.05Å
281	P	94.2	Very high	91.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	25%	0.253	C	S	.	.			trans	-76.6	145	-176.7	29.9	-34.4	0	0	0	112.3	P252 A275 N306 A327 K328 N329	P252-P281 HydrophobicContact CB-CB 4.04Å; P252-P281 HydrophobicContact CB-CG 4.47Å; P252-P281 HydrophobicContact CG-CB 4.04Å; A275-P281 HydrophobicContact CB-CG 3.93Å; P281-N306 VanDerWaalsContact O-CB 3.3Å; P281-N306 WeakPolarHBondContact O-CB 3.44Å; P281-N306 PolarHBondContact O-ND2 3.27Å; P281-A327 HydrophobicContact CB-CB 4.08Å; P281-K328 CarbonylContact C-O 3.56Å; P281-K328 VanDerWaalsContact CA-O 3.29Å; P281-K328 WeakPolarHBondContact CA-O 3.42Å; P281-N329 HydrophobicContact CB-CB 4.36Å
282	A	92.3	Very high	90.9	Very high	35 Å²	35	46.3 Å²	46.3	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.3	167.2	0	0	0	0	0	110.4	Y284 A327 K328	A282-Y284 HydrophobicContact CB-CE2 3.78Å; A282-Y284 WeakPolarHBondContact CB-OH 3.41Å; A282-A327 CarbonylContact O-C 3.52Å; A282-A327 VanDerWaalsContact O-CA 3.3Å; A282-A327 WeakPolarHBondContact O-CA 3.26Å; A282-K328 PolarHBondContact N-O 3.32Å; A282-K328 PolarHBondContact O-N 3.45Å
283	L	93.8	Very high	90.3	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139	-175.7	-69.5	174.6	0	0	0	111.7	A275 Q298 N306 W307 K326 A327	A275-L283 HydrophobicContact CB-CD2 3.72Å; L283-Q298 HydrophobicContact CD1-CG 4.43Å; L283-N306 HydrophobicContact CD1-CB 4.18Å; L283-N306 HydrophobicContact CG-CB 4.45Å; L283-W307 VanDerWaalsContact CD1-C 3.45Å; L283-K326 WeakPolarHBondContact CA-O 3.47Å; L283-A327 HydrophobicContact CD2-CB 3.83Å
284	Y	92.5	Very high	89.7	Confident	112 Å²	112	50 Å²	50	44%	0.439	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.2	179.7	-51.1	-88.8	0	0	0	109.6	A282 K326 K328	A282-Y284 HydrophobicContact CB-CE2 3.78Å; A282-Y284 WeakPolarHBondContact CB-OH 3.41Å; Y284-K326 PolarHBondContact N-O 2.9Å; Y284-K326 PolarHBondContact O-N 3.47Å; Y284-K328 HydrophobicContact CE2-CB 4.08Å
285	W	94.1	Very high	89.3	Confident	24 Å²	24	52.6 Å²	52.6	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.7	173.2	-70.2	90.4	0	0	0	111.2	L271 C273 V293 T296 S308 M310 C325 I338	L271-W285 HydrophobicContact CB-CH2 3.7Å; L271-W285 HydrophobicContact CB-CZ2 4.42Å; L271-W285 HydrophobicContact CB-CZ3 4.03Å; L271-W285 HydrophobicContact CD1-CZ3 4.4Å; L271-W285 WeakPolarHBondContact O-CH2 3.39Å; L271-W285 VanDerWaalsContact O-CZ2 3.31Å; L271-W285 WeakPolarHBondContact O-CZ2 3.38Å; C273-W285 HydrophobicContact CB-CH2 3.73Å; C273-W285 HydrophobicContact CB-CZ2 3.42Å; C273-W285 VanDerWaalsContact CB-CZ2 3.42Å; W285-V293 HydrophobicContact CB-CB 4.42Å; W285-V293 HydrophobicContact CB-CG1 3.66Å; W285-T296 HydrophobicContact CB-CG2 4.44Å; W285-T296 HydrophobicContact CG-CG2 4.23Å; W285-S308 PolarHBondContact NE1-OG 3Å; W285-M310 HydrophobicContact CD2-CB 3.98Å; W285-M310 HydrophobicContact CE3-CB 4.41Å; W285-M310 HydrophobicContact CG-CB 4.37Å; W285-M310 HydrophobicContact CH2-CB 4.44Å; W285-M310 HydrophobicContact CZ2-CB 4.01Å; W285-C325 HydrophobicContact CD2-CB 4.21Å; W285-C325 HydrophobicContact CE3-CB 3.97Å; W285-C325 HydrophobicContact CH2-CB 4.12Å; W285-C325 HydrophobicContact CZ2-CB 4.34Å; W285-C325 HydrophobicContact CZ3-CB 3.92Å; W285-I338 HydrophobicContact CH2-CD1 3.93Å; W285-I338 HydrophobicContact CZ3-CD1 4.08Å
286	T	93.3	Very high	89	Confident	72 Å²	72	56 Å²	56	44%	0.442	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135	176.8	53	0	0	0	0	109.5	S324	T286-S324 PolarHBondContact N-O 3.08Å; T286-S324 PolarHBondContact O-N 3.21Å; T286-S324 PolarHBondContact OG1-O 3.31Å; T286-S324 VanDerWaalsContact OG1-O 3.11Å
287	K	92.7	Very high	88.8	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	144.4	168.4	-164.2	-178.4	176.9	-142.3	0	109	D289 G290 S291 V293 K318 Y323	K287-D289 WeakPolarHBondContact CB-OD1 3.49Å; K287-D289 WeakPolarHBondContact CD-OD1 3.21Å; K287-D289 WeakPolarHBondContact CD-OD2 3.36Å; K287-D289 VanDerWaalsContact CE-OD2 3.27Å; K287-D289 WeakPolarHBondContact CE-OD2 3.08Å; K287-D289 WeakPolarHBondContact CG-OD1 3.22Å; K287-D289 IonicContact NZ-OD2 3.59Å; K287-D289 PolarHBondContact NZ-OD2 3.01Å; K287-D289 PolarHBondContact O-N 3.08Å; K287-G290 PolarHBondContact O-N 2.82Å; K287-S291 WeakPolarHBondContact CD-OG 3.32Å; K287-V293 HydrophobicContact CB-CG2 4.06Å; K287-K318 PolarHBondContact NZ-O 2.92Å; K287-Y323 HydrophobicContact CB-CD1 4.29Å; K287-Y323 HydrophobicContact CB-CE1 4.2Å; K287-Y323 HydrophobicContact CD-CE1 3.89Å; K287-Y323 HydrophobicContact CD-CE2 4.18Å; K287-Y323 WeakPolarHBondContact CE-OH 3.01Å; K287-Y323 HydrophobicContact CG-CD1 4.24Å; K287-Y323 HydrophobicContact CG-CE1 3.97Å; K287-Y323 HydrophobicContact CG-CE2 4.24Å
288	S	87.9	Confident	88.7	Confident	85 Å²	85	61.4 Å²	61.4	59%	0.594	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.2	-173.6	58.6	0	0	0	0	115.7	N322	S288-N322 PolarHBondContact N-O 3.49Å; S288-N322 PolarHBondContact OG-N 2.88Å; S288-N322 PolarHBondContact OG-O 3.23Å
289	D	83.3	Confident	88.7	Confident	94 Å²	94	63.9 Å²	63.9	50%	0.503	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1	174.8	57.2	14.3	0	0	0	113.5	K287 S291	K287-D289 WeakPolarHBondContact CB-OD1 3.49Å; K287-D289 WeakPolarHBondContact CD-OD1 3.21Å; K287-D289 WeakPolarHBondContact CD-OD2 3.36Å; K287-D289 VanDerWaalsContact CE-OD2 3.27Å; K287-D289 WeakPolarHBondContact CE-OD2 3.08Å; K287-D289 WeakPolarHBondContact CG-OD1 3.22Å; K287-D289 IonicContact NZ-OD2 3.59Å; K287-D289 PolarHBondContact NZ-OD2 3.01Å; K287-D289 PolarHBondContact O-N 3.08Å; D289-S291 VanDerWaalsContact C-N 3.26Å; D289-S291 PolarHBondContact O-N 2.83Å; D289-S291 VanDerWaalsContact OD1-CB 3.26Å; D289-S291 WeakPolarHBondContact OD1-CB 3.07Å; D289-S291 PolarHBondContact OD1-N 3.09Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; D289-S291 PolarHBondContact OD2-OG 3.24Å
290	G	78.1	Confident	88.7	Confident	72 Å²	72	66.4 Å²	66.4	74%	0.742	39%	0.394	S	S	*	.			trans	75.7	7.3	-177.3	0	0	0	0	0	114.7	K287	K287-G290 PolarHBondContact O-N 2.82Å
291	S	80.2	Confident	88.5	Confident	44 Å²	44	68 Å²	68	31%	0.308	41%	0.405	S	S	.	.			trans	-69.3	150	177	62.7	0	0	0	0	112.5	K287 D289	K287-S291 WeakPolarHBondContact CD-OG 3.32Å; D289-S291 VanDerWaalsContact C-N 3.26Å; D289-S291 PolarHBondContact O-N 2.83Å; D289-S291 VanDerWaalsContact OD1-CB 3.26Å; D289-S291 WeakPolarHBondContact OD1-CB 3.07Å; D289-S291 PolarHBondContact OD1-N 3.09Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; D289-S291 PolarHBondContact OD2-OG 3.24Å
292	P	77.2	Confident	88.2	Confident	110 Å²	110	69.7 Å²	69.7	71%	0.714	42%	0.422	S	S	*	.			trans	-66.6	136	-180	27.3	-34.8	0	0	0	111.3
293	V	84.3	Confident	87.9	Confident	33 Å²	33	75.8 Å²	75.8	20%	0.2	45%	0.445	C	S	.	.			trans	-106.3	108.4	-175.2	176.2	0	0	0	0	109.6	W285 K287 M310	W285-V293 HydrophobicContact CB-CB 4.42Å; W285-V293 HydrophobicContact CB-CG1 3.66Å; K287-V293 HydrophobicContact CB-CG2 4.06Å; V293-M310 HydrophobicContact CG1-CE 3.22Å; V293-M310 HydrophobicContact CG1-CG 4.45Å; V293-M310 HydrophobicContact CG1-SD 3.83Å
294	N	81.5	Confident	87.6	Confident	112 Å²	112	76 Å²	76	60%	0.599	45%	0.45	S	S	*	.			trans	-109.9	158.8	-174.1	-62.7	-17.9	0	0	0	111.4	M310	N294-M310 WeakPolarHBondContact O-CE 3.42Å
295	N	87.4	Confident	87.6	Confident	96 Å²	96	74.9 Å²	74.9	51%	0.513	45%	0.45	S	S	.	.			trans	70.8	46.2	-176.9	-39.2	-34.5	0	0	0	114.4	S311	N295-S311 WeakPolarHBondContact CB-O 3.42Å; N295-S311 WeakPolarHBondContact CB-OG 3.27Å; N295-S311 PolarHBondContact ND2-O 3.09Å; N295-S311 VanDerWaalsContact ND2-O 3.1Å; N295-S311 PolarHBondContact O-N 3.02Å; N295-S311 VanDerWaalsContact O-N 3.09Å
296	T	91	Very high	87.7	Confident	77 Å²	77	74.4 Å²	74.4	47%	0.472	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.1	165.3	49.5	0	0	0	0	111.2	W285 I309 M310	W285-T296 HydrophobicContact CB-CG2 4.44Å; W285-T296 HydrophobicContact CG-CG2 4.23Å; T296-I309 WeakPolarHBondContact CA-O 3.3Å; T296-M310 HydrophobicContact CG2-CE 3.34Å
297	V	91.6	Very high	87.8	Confident	88 Å²	88	72.7 Å²	72.7	53%	0.533	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.1	158.5	179.9	0	0	0	0	107.6	S308 I309	V297-S308 CarbonylContact O-C 3.39Å; V297-S308 WeakPolarHBondContact O-CA 3.24Å; V297-S308 WeakPolarHBondContact O-CB 3.37Å; V297-S308 PolarHBondContact O-OG 3.3Å; V297-I309 PolarHBondContact N-O 2.97Å; V297-I309 PolarHBondContact O-N 3.07Å
298	Q	92.3	Very high	87.9	Confident	91 Å²	91	72 Å²	72	43%	0.425	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.2	178.8	-172.9	-176.9	-10.7	0	0	110.2	L283 N306 W307	L283-Q298 HydrophobicContact CD1-CG 4.43Å; Q298-N306 VanDerWaalsContact CG-OD1 3.29Å; Q298-N306 WeakPolarHBondContact CG-OD1 3.34Å; Q298-N306 VanDerWaalsContact NE2-CG 3.3Å; Q298-N306 PolarHBondContact NE2-ND2 3.07Å; Q298-N306 PolarHBondContact NE2-OD1 2.03Å; Q298-W307 WeakPolarHBondContact CA-O 3.5Å; Q298-W307 WeakPolarHBondContact CG-O 3.44Å
299	E	92.2	Very high	88.3	Confident	102 Å²	102	69.9 Å²	69.9	48%	0.477	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143.9	-178.4	-169.1	-169.1	103.5	0	0	110.1	P301 N306 W307	E299-P301 WeakPolarHBondContact O-CD 3.46Å; E299-N306 PolarHBondContact O-OD1 3Å; E299-W307 HydrophobicContact CB-CD2 4.23Å; E299-W307 HydrophobicContact CB-CH2 4.18Å; E299-W307 HydrophobicContact CB-CZ2 3.62Å; E299-W307 VanDerWaalsContact CD-CZ2 3.49Å; E299-W307 HydrophobicContact CG-CZ2 4.2Å; E299-W307 PolarHBondContact N-O 2.71Å; E299-W307 PolarHBondContact O-N 3.22Å; E299-W307 PolarHBondContact OE1-NE1 3.34Å; E299-W307 WeakPolarHBondContact OE2-CZ2 3.37Å
300	S	91.3	Very high	88.7	Confident	72 Å²	72	65.4 Å²	65.4	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	92.9	177.2	55.8	0	0	0	0	110.2	G302 I305	S300-G302 PolarHBondContact O-N 3.41Å; S300-G302 VanDerWaalsContact O-N 3.16Å; S300-I305 WeakPolarHBondContact CA-O 3.31Å
301	P	87.6	Confident	89.4	Confident	83 Å²	83	63 Å²	63	54%	0.539	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-11.3	-173.2	-22.9	34.7	0	0	0	115.5	E299	E299-P301 WeakPolarHBondContact O-CD 3.46Å
302	G	87.4	Confident	90	Very high	35 Å²	35	62 Å²	62	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	172	-179.4	0	0	0	0	0	111.1	S300 G304 I305	S300-G302 PolarHBondContact O-N 3.41Å; S300-G302 VanDerWaalsContact O-N 3.16Å; G302-G304 PolarHBondContact O-N 2.96Å; G302-I305 PolarHBondContact O-N 3.49Å
303	E	85.4	Confident	90.7	Very high	164 Å²	164	62 Å²	62	77%	0.766	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	137.4	177.3	-171.7	159.6	-143.3	0	0	111.1	I305	E303-I305 VanDerWaalsContact C-N 3.28Å; E303-I305 PolarHBondContact O-N 3.29Å
304	G	88.6	Confident	91.1	Very high	15 Å²	15	62.1 Å²	62.1	16%	0.155	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	1.8	-177.7	0	0	0	0	0	116.2	S276 G277 T280 G302	S276-G304 CarbonylContact C-O 3.56Å; S276-G304 VanDerWaalsContact CA-O 3.23Å; S276-G304 WeakPolarHBondContact CA-O 3.44Å; G277-G304 PolarHBondContact N-O 3.31Å; G277-G304 CarbonylContact O-C 3.59Å; G277-G304 WeakPolarHBondContact O-CA 3.48Å; T280-G304 PolarHBondContact OG1-N 3.36Å; G302-G304 PolarHBondContact O-N 2.96Å
305	I	93.1	Very high	91.5	Very high	88 Å²	88	56.9 Å²	56.9	45%	0.451	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.2	-178.2	-53.2	-179.7	0	0	0	110.9	S300 G302 E303	S300-I305 WeakPolarHBondContact CA-O 3.31Å; G302-I305 PolarHBondContact O-N 3.49Å; E303-I305 VanDerWaalsContact C-N 3.28Å; E303-I305 PolarHBondContact O-N 3.29Å
306	N	95.2	Very high	91.8	Very high	14 Å²	14	57 Å²	57	8%	0.075	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140	177.9	-151.3	-34.5	0	0	0	109.9	A275 T280 P281 L283 Q298 E299	A275-N306 PolarHBondContact N-O 3.47Å; A275-N306 PolarHBondContact O-N 3.3Å; A275-N306 VanDerWaalsContact O-O 3.08Å; T280-N306 HydrophobicContact CG2-CB 4.05Å; P281-N306 VanDerWaalsContact O-CB 3.3Å; P281-N306 WeakPolarHBondContact O-CB 3.44Å; P281-N306 PolarHBondContact O-ND2 3.27Å; L283-N306 HydrophobicContact CD1-CB 4.18Å; L283-N306 HydrophobicContact CG-CB 4.45Å; Q298-N306 VanDerWaalsContact CG-OD1 3.29Å; Q298-N306 WeakPolarHBondContact CG-OD1 3.34Å; Q298-N306 VanDerWaalsContact NE2-CG 3.3Å; Q298-N306 PolarHBondContact NE2-ND2 3.07Å; Q298-N306 PolarHBondContact NE2-OD1 2.03Å; E299-N306 PolarHBondContact O-OD1 3Å
307	W	95.4	Very high	91.7	Very high	35 Å²	35	57 Å²	57	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.7	175	67.8	-100.9	0	0	0	111.8	R272 C273 D274 L283 Q298 E299 I309	R272-W307 VanDerWaalsContact NH1-CD2 3.28Å; R272-W307 VanDerWaalsContact NH2-CB 3.35Å; C273-W307 CarbonylContact O-C 3.54Å; C273-W307 VanDerWaalsContact O-CA 3.31Å; C273-W307 WeakPolarHBondContact O-CA 3.19Å; C273-W307 WeakPolarHBondContact O-CB 3.44Å; D274-W307 WeakPolarHBondContact OD1-CB 3.39Å; L283-W307 VanDerWaalsContact CD1-C 3.45Å; Q298-W307 WeakPolarHBondContact CA-O 3.5Å; Q298-W307 WeakPolarHBondContact CG-O 3.44Å; E299-W307 HydrophobicContact CB-CD2 4.23Å; E299-W307 HydrophobicContact CB-CH2 4.18Å; E299-W307 HydrophobicContact CB-CZ2 3.62Å; E299-W307 VanDerWaalsContact CD-CZ2 3.49Å; E299-W307 HydrophobicContact CG-CZ2 4.2Å; E299-W307 PolarHBondContact N-O 2.71Å; E299-W307 PolarHBondContact O-N 3.22Å; E299-W307 PolarHBondContact OE1-NE1 3.34Å; E299-W307 WeakPolarHBondContact OE2-CZ2 3.37Å; W307-I309 HydrophobicContact CE3-CD1 4.21Å; W307-I309 HydrophobicContact CE3-CG1 3.96Å; W307-I309 HydrophobicContact CH2-CD1 4.25Å; W307-I309 HydrophobicContact CZ3-CB 4.29Å; W307-I309 HydrophobicContact CZ3-CD1 3.57Å; W307-I309 HydrophobicContact CZ3-CG1 3.65Å
308	S	95.6	Very high	91.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.5	177.2	-179.6	0	0	0	0	111.9	C273 W285 V297	C273-S308 PolarHBondContact N-O 2.84Å; C273-S308 PolarHBondContact O-N 2.85Å; W285-S308 PolarHBondContact NE1-OG 3Å; V297-S308 CarbonylContact O-C 3.39Å; V297-S308 WeakPolarHBondContact O-CA 3.24Å; V297-S308 WeakPolarHBondContact O-CB 3.37Å; V297-S308 PolarHBondContact O-OG 3.3Å
309	I	94.9	Very high	91.5	Very high	40 Å²	40	56 Å²	56	21%	0.205	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.4	170.8	-66.4	172.3	0	0	0	108.7	L270 L271 R272 T296 V297 W307	L270-I309 HydrophobicContact CB-CG2 4.04Å; L270-I309 HydrophobicContact CD2-CG2 4.07Å; L270-I309 HydrophobicContact CG-CG2 4.49Å; L271-I309 CarbonylContact O-C 3.5Å; L271-I309 WeakPolarHBondContact O-CA 3.45Å; R272-I309 HydrophobicContact CB-CG1 4.04Å; R272-I309 HydrophobicContact CG-CG1 3.97Å; T296-I309 WeakPolarHBondContact CA-O 3.3Å; V297-I309 PolarHBondContact N-O 2.97Å; V297-I309 PolarHBondContact O-N 3.07Å; W307-I309 HydrophobicContact CE3-CD1 4.21Å; W307-I309 HydrophobicContact CE3-CG1 3.96Å; W307-I309 HydrophobicContact CH2-CD1 4.25Å; W307-I309 HydrophobicContact CZ3-CB 4.29Å; W307-I309 HydrophobicContact CZ3-CD1 3.57Å; W307-I309 HydrophobicContact CZ3-CG1 3.65Å
310	M	92.9	Very high	91.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122	175.9	154.7	54.7	41.6	0	0	109.1	L270 L271 W285 V293 N294 T296 L312	L270-M310 WeakPolarHBondContact CA-O 3.1Å; L271-M310 HydrophobicContact CB-CB 4.08Å; L271-M310 HydrophobicContact CB-CG 4.24Å; L271-M310 HydrophobicContact CD1-CG 3.95Å; L271-M310 HydrophobicContact CG-CG 4.3Å; L271-M310 PolarHBondContact N-O 2.22Å; L271-M310 PolarHBondContact O-N 3.48Å; W285-M310 HydrophobicContact CD2-CB 3.98Å; W285-M310 HydrophobicContact CE3-CB 4.41Å; W285-M310 HydrophobicContact CG-CB 4.37Å; W285-M310 HydrophobicContact CH2-CB 4.44Å; W285-M310 HydrophobicContact CZ2-CB 4.01Å; V293-M310 HydrophobicContact CG1-CE 3.22Å; V293-M310 HydrophobicContact CG1-CG 4.45Å; V293-M310 HydrophobicContact CG1-SD 3.83Å; N294-M310 WeakPolarHBondContact O-CE 3.42Å; T296-M310 HydrophobicContact CG2-CE 3.34Å; M310-L312 HydrophobicContact SD-CD2 4.18Å
311	S	93.4	Very high	91.6	Very high	21 Å²	21	50.6 Å²	50.6	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.6	-175.1	71.2	0	0	0	0	114.1	L270 N295 H313	L270-S311 VanDerWaalsContact CD2-CB 3.49Å; N295-S311 WeakPolarHBondContact CB-O 3.42Å; N295-S311 WeakPolarHBondContact CB-OG 3.27Å; N295-S311 PolarHBondContact ND2-O 3.09Å; N295-S311 VanDerWaalsContact ND2-O 3.1Å; N295-S311 PolarHBondContact O-N 3.02Å; N295-S311 VanDerWaalsContact O-N 3.09Å; S311-H313 WeakPolarHBondContact CB-NE2 3.46Å; S311-H313 PolarHBondContact OG-NE2 3.22Å
312	L	92.1	Very high	91.9	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.12	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.8	173.4	-60	172.7	0	0	0	108.8	N268 V269 L271 M310 I315 Y323 L340	N268-L312 CarbonylContact C-O 3.41Å; N268-L312 VanDerWaalsContact CA-O 3.27Å; N268-L312 WeakPolarHBondContact CA-O 3.46Å; V269-L312 PolarHBondContact N-O 3.16Å; V269-L312 PolarHBondContact O-N 3.39Å; L271-L312 HydrophobicContact CD1-CD1 4.25Å; M310-L312 HydrophobicContact SD-CD2 4.18Å; L312-I315 HydrophobicContact CB-CD1 4Å; L312-I315 HydrophobicContact CB-CG1 4.04Å; L312-I315 HydrophobicContact CD1-CD1 4.4Å; L312-Y323 HydrophobicContact CD1-CE1 4.19Å; L312-Y323 HydrophobicContact CD1-CE2 4.2Å; L312-Y323 HydrophobicContact CD2-CE1 4.35Å; L312-L340 HydrophobicContact CD1-CD2 3.38Å
313	H	92.6	Very high	92.3	Very high	111 Å²	111	48.4 Å²	48.4	51%	0.514	26%	0.258	S	S	.	.			trans	-121	135.3	-175.8	-61	-79.5	0	0	0	110.8	N268 S311	N268-H313 PolarHBondContact ND2-ND1 2.76Å; N268-H313 VanDerWaalsContact OD1-CA 3.26Å; N268-H313 WeakPolarHBondContact OD1-CA 3.24Å; S311-H313 WeakPolarHBondContact CB-NE2 3.46Å; S311-H313 PolarHBondContact OG-NE2 3.22Å
314	G	90.8	Very high	92.7	Very high	35 Å²	35	41.7 Å²	41.7	36%	0.361	23%	0.229	S	C	.	.	S	Bend	trans	65.4	39.1	175.4	0	0	0	0	0	114.9	S267 N268 E316	S267-G314 PolarHBondContact O-N 2.82Å; N268-G314 PolarHBondContact OD1-N 2.91Å; G314-E316 PolarHBondContact O-N 3.41Å
315	I	91.6	Very high	93	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.221	C	C	.	.			trans	-46.5	131.5	-166.5	-84.4	168.1	0	0	0	115.1	L265 G266 S267 V269 L312 D319 L340 V342	L265-I315 CarbonylContact C-O 3.57Å; L265-I315 WeakPolarHBondContact CA-O 3.22Å; G266-I315 PolarHBondContact N-O 3.39Å; S267-I315 WeakPolarHBondContact O-CB 3.45Å; S267-I315 PolarHBondContact O-N 2.92Å; V269-I315 HydrophobicContact CB-CD1 3.64Å; V269-I315 HydrophobicContact CG2-CD1 3.43Å; V269-I315 VanDerWaalsContact CG2-CD1 3.43Å; L312-I315 HydrophobicContact CB-CD1 4Å; L312-I315 HydrophobicContact CB-CG1 4.04Å; L312-I315 HydrophobicContact CD1-CD1 4.4Å; I315-D319 HydrophobicContact CG1-CB 4.45Å; I315-L340 HydrophobicContact CD1-CD2 4.02Å; I315-V342 HydrophobicContact CG2-CB 4.35Å; I315-V342 HydrophobicContact CG2-CG1 3.9Å; I315-V342 HydrophobicContact CG2-CG2 3.47Å; I315-V342 VanDerWaalsContact CG2-CG2 3.47Å
316	E	92.4	Very high	93.1	Very high	98 Å²	98	40.9 Å²	40.9	46%	0.458	22%	0.218	S	C	.	.			trans	-109	166.1	170.9	-71.1	173.9	-130.7	0	0	111.4	G314 K318 D319	G314-E316 PolarHBondContact O-N 3.41Å; E316-K318 HydrophobicContact CB-CD 4.27Å; E316-K318 HydrophobicContact CB-CG 4.1Å; E316-K318 PolarHBondContact O-N 2.95Å; E316-K318 VanDerWaalsContact O-N 3.09Å; E316-K318 IonicContact OE1-NZ 2.65Å; E316-K318 PolarHBondContact OE1-NZ 3.08Å; E316-K318 WeakPolarHBondContact OE2-CD 3.31Å; E316-K318 VanDerWaalsContact OE2-CE 3.28Å; E316-K318 WeakPolarHBondContact OE2-CE 3.27Å; E316-K318 IonicContact OE2-NZ 3.11Å; E316-K318 PolarHBondContact OE2-NZ 3.23Å; E316-D319 PolarHBondContact N-OD2 3.46Å; E316-D319 WeakPolarHBondContact O-CB 3.29Å; E316-D319 PolarHBondContact O-N 2.84Å
317	H	89.9	Confident	93.1	Very high	79 Å²	79	40.2 Å²	40.2	37%	0.366	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-56.8	-26.1	176.2	-65.7	114.3	0	0	0	114.4	D319 A320	H317-D319 PolarHBondContact O-N 2.65Å; H317-A320 WeakPolarHBondContact O-CB 3.31Å; H317-A320 PolarHBondContact O-N 3.3Å
318	K	89.3	Confident	92.9	Very high	124 Å²	124	41.1 Å²	41.1	54%	0.539	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.5	-21.8	176.8	77	-163.4	175.8	-157.6	0	113.3	K287 E316 A320	K287-K318 PolarHBondContact NZ-O 2.92Å; E316-K318 HydrophobicContact CB-CD 4.27Å; E316-K318 HydrophobicContact CB-CG 4.1Å; E316-K318 PolarHBondContact O-N 2.95Å; E316-K318 VanDerWaalsContact O-N 3.09Å; E316-K318 IonicContact OE1-NZ 2.65Å; E316-K318 PolarHBondContact OE1-NZ 3.08Å; E316-K318 WeakPolarHBondContact OE2-CD 3.31Å; E316-K318 VanDerWaalsContact OE2-CE 3.28Å; E316-K318 WeakPolarHBondContact OE2-CE 3.27Å; E316-K318 IonicContact OE2-NZ 3.11Å; E316-K318 PolarHBondContact OE2-NZ 3.23Å; K318-A320 VanDerWaalsContact C-N 3.31Å
319	D	90.1	Very high	92.7	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.171	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-84.8	-10.9	-178.2	-50.8	-43.3	0	0	0	111.2	I315 E316 H317 Y323	I315-D319 HydrophobicContact CG1-CB 4.45Å; E316-D319 PolarHBondContact N-OD2 3.46Å; E316-D319 WeakPolarHBondContact O-CB 3.29Å; E316-D319 PolarHBondContact O-N 2.84Å; H317-D319 PolarHBondContact O-N 2.65Å; D319-Y323 WeakPolarHBondContact O-CE2 3.04Å; D319-Y323 PolarHBondContact O-OH 2.73Å; D319-Y323 VanDerWaalsContact O-OH 3.06Å
320	A	91.8	Very high	92.4	Very high	38 Å²	38	40.9 Å²	40.9	31%	0.314	22%	0.219	S	C	.	.			trans	-57.4	143	166.4	0	0	0	0	0	111	H317 K318 L340 V342	H317-A320 WeakPolarHBondContact O-CB 3.31Å; H317-A320 PolarHBondContact O-N 3.3Å; K318-A320 VanDerWaalsContact C-N 3.31Å; A320-L340 WeakPolarHBondContact CA-O 3.11Å; A320-V342 HydrophobicContact CB-CG2 4Å
321	G	93	Very high	92.1	Very high	23 Å²	23	42.7 Å²	42.7	24%	0.237	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.1	-175.5	-178.9	0	0	0	0	0	113.5	L340	G321-L340 PolarHBondContact N-O 3.35Å; G321-L340 PolarHBondContact O-N 3.32Å
322	N	94.8	Very high	91.9	Very high	66 Å²	66	43.1 Å²	43.1	35%	0.353	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.4	179	-71.1	-26.2	0	0	0	110	S288 T337 S339	S288-N322 PolarHBondContact N-O 3.49Å; S288-N322 PolarHBondContact OG-N 2.88Å; S288-N322 PolarHBondContact OG-O 3.23Å; N322-T337 HydrophobicContact CB-CG2 3.74Å; N322-S339 WeakPolarHBondContact OD1-CA 3.46Å; N322-S339 WeakPolarHBondContact OD1-CB 3.45Å; N322-S339 PolarHBondContact OD1-OG 2.03Å
323	Y	94.6	Very high	92	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.027	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.6	175.4	-70	-98.9	0	0	0	108.6	L271 K287 L312 D319 T337 I338 L340	L271-Y323 HydrophobicContact CD1-CD1 3.79Å; L271-Y323 HydrophobicContact CD1-CD2 3.94Å; L271-Y323 HydrophobicContact CD1-CE1 4.4Å; L271-Y323 HydrophobicContact CD1-CG 3.52Å; K287-Y323 HydrophobicContact CB-CD1 4.29Å; K287-Y323 HydrophobicContact CB-CE1 4.2Å; K287-Y323 HydrophobicContact CD-CE1 3.89Å; K287-Y323 HydrophobicContact CD-CE2 4.18Å; K287-Y323 WeakPolarHBondContact CE-OH 3.01Å; K287-Y323 HydrophobicContact CG-CD1 4.24Å; K287-Y323 HydrophobicContact CG-CE1 3.97Å; K287-Y323 HydrophobicContact CG-CE2 4.24Å; L312-Y323 HydrophobicContact CD1-CE1 4.19Å; L312-Y323 HydrophobicContact CD1-CE2 4.2Å; L312-Y323 HydrophobicContact CD2-CE1 4.35Å; D319-Y323 WeakPolarHBondContact O-CE2 3.04Å; D319-Y323 PolarHBondContact O-OH 2.73Å; D319-Y323 VanDerWaalsContact O-OH 3.06Å; Y323-T337 WeakPolarHBondContact O-CA 3.31Å; Y323-I338 PolarHBondContact N-O 3.31Å; Y323-I338 PolarHBondContact O-N 3.04Å; Y323-L340 HydrophobicContact CD2-CB 4.08Å; Y323-L340 HydrophobicContact CE2-CB 4Å; Y323-L340 HydrophobicContact CE2-CD2 3.91Å
324	S	94.8	Very high	92.1	Very high	22 Å²	22	40.8 Å²	40.8	15%	0.154	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.9	179.4	-63.2	0	0	0	0	110.3	T286 A336 T337	T286-S324 PolarHBondContact N-O 3.08Å; T286-S324 PolarHBondContact O-N 3.21Å; T286-S324 PolarHBondContact OG1-O 3.31Å; T286-S324 VanDerWaalsContact OG1-O 3.11Å; S324-A336 CarbonylContact C-O 3.33Å; S324-A336 WeakPolarHBondContact CA-O 3.48Å; S324-T337 PolarHBondContact OG-OG1 3.1Å
325	C	94.9	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.4	167.8	-178.8	0	0	0	0	109.1	C273 W285 I335 A336	C273-C325 HydrophobicContact CB-CB 3.61Å; C273-C325 WeakPolarHBondContact CB-SG 3.49Å; C273-C325 WeakPolarHBondContact SG-CB 3.28Å; C273-C325 CovalentContact SG-SG 2.03Å; C273-C325 PolarHBondContact SG-SG 2.88Å; W285-C325 HydrophobicContact CD2-CB 4.21Å; W285-C325 HydrophobicContact CE3-CB 3.97Å; W285-C325 HydrophobicContact CH2-CB 4.12Å; W285-C325 HydrophobicContact CZ2-CB 4.34Å; W285-C325 HydrophobicContact CZ3-CB 3.92Å; C325-I335 WeakPolarHBondContact O-CA 3.47Å; C325-A336 PolarHBondContact N-O 2.93Å; C325-A336 PolarHBondContact O-N 3.36Å
326	K	94.2	Very high	92.5	Very high	86 Å²	86	44.9 Å²	44.9	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.3	178	175.6	174.8	-179.5	-177.5	0	109.6	L283 Y284 A334 I335	L283-K326 WeakPolarHBondContact CA-O 3.47Å; Y284-K326 PolarHBondContact N-O 2.9Å; Y284-K326 PolarHBondContact O-N 3.47Å; K326-A334 WeakPolarHBondContact CA-O 3.36Å; K326-I335 HydrophobicContact CB-CG1 4.02Å; K326-I335 HydrophobicContact CD-CD1 4.27Å; K326-I335 HydrophobicContact CD-CG1 4.39Å; K326-I335 HydrophobicContact CG-CD1 4.35Å; K326-I335 HydrophobicContact CG-CG1 3.93Å
327	A	95.4	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.2	168.3	0	0	0	0	0	110.2	P252 V254 A275 P281 A282 L283 A333 A334	P252-A327 HydrophobicContact CB-CB 3.65Å; P252-A327 HydrophobicContact CG-CB 4.39Å; V254-A327 HydrophobicContact CG2-CB 3.34Å; A275-A327 HydrophobicContact CB-CB 3.92Å; P281-A327 HydrophobicContact CB-CB 4.08Å; A282-A327 CarbonylContact O-C 3.52Å; A282-A327 VanDerWaalsContact O-CA 3.3Å; A282-A327 WeakPolarHBondContact O-CA 3.26Å; L283-A327 HydrophobicContact CD2-CB 3.83Å; A327-A333 CarbonylContact O-C 3.58Å; A327-A333 WeakPolarHBondContact O-CA 3.44Å; A327-A333 WeakPolarHBondContact O-CB 3.4Å; A327-A334 PolarHBondContact N-O 2.72Å; A327-A334 PolarHBondContact O-N 2.81Å
328	K	92.2	Very high	93	Very high	54 Å²	54	39.2 Å²	39.2	24%	0.235	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.3	175.5	-173	-164.3	175.8	-167.6	0	110.1	D171 D174 P281 A282 Y284	D171-K328 IonicContact OD1-NZ 3.31Å; D171-K328 PolarHBondContact OD1-NZ 2.91Å; D174-K328 WeakPolarHBondContact OD2-CE 3.26Å; D174-K328 IonicContact OD2-NZ 2.83Å; D174-K328 PolarHBondContact OD2-NZ 3.45Å; P281-K328 CarbonylContact C-O 3.56Å; P281-K328 VanDerWaalsContact CA-O 3.29Å; P281-K328 WeakPolarHBondContact CA-O 3.42Å; A282-K328 PolarHBondContact N-O 3.32Å; A282-K328 PolarHBondContact O-N 3.45Å; Y284-K328 HydrophobicContact CE2-CB 4.08Å
329	N	91.7	Very high	93.3	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	-173.4	157.2	72.2	9.6	0	0	0	109.5	V250 P252 S278 P279 P281 A331 G332	V250-N329 PolarHBondContact O-ND2 3.23Å; P252-N329 WeakPolarHBondContact CD-OD1 3.49Å; P252-N329 HydrophobicContact CG-CB 4.28Å; S278-N329 PolarHBondContact O-ND2 3.29Å; P279-N329 WeakPolarHBondContact O-CB 3.47Å; P279-N329 PolarHBondContact O-ND2 2.88Å; P281-N329 HydrophobicContact CB-CB 4.36Å; N329-A331 VanDerWaalsContact C-N 3.29Å; N329-A331 PolarHBondContact O-N 2.88Å; N329-A331 WeakPolarHBondContact OD1-CA 3.27Å; N329-A331 WeakPolarHBondContact OD1-CB 3.49Å; N329-A331 PolarHBondContact OD1-N 3.38Å; N329-G332 PolarHBondContact N-O 2.93Å; N329-G332 PolarHBondContact O-N 3.32Å; N329-G332 PolarHBondContact OD1-N 3.36Å
330	V	87.1	Confident	93.5	Very high	21 Å²	21	33.9 Å²	33.9	13%	0.127	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.1	176.1	-77.9	0	0	0	0	114	C205 P279 G332	C205-V330 HydrophobicContact CB-CG2 4.47Å; C205-V330 WeakPolarHBondContact O-CG2 3.37Å; P279-V330 HydrophobicContact CG-CG2 3.67Å; V330-G332 VanDerWaalsContact C-N 3.3Å
331	A	88.3	Confident	93.6	Very high	38 Å²	38	34.4 Å²	34.4	31%	0.314	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.9	-179.8	0	0	0	0	0	113.5	C249 K251 N329	C249-A331 HydrophobicContact CB-CB 4.06Å; K251-A331 HydrophobicContact CB-CB 4.43Å; K251-A331 VanDerWaalsContact CB-O 3.3Å; K251-A331 WeakPolarHBondContact CB-O 3.2Å; N329-A331 VanDerWaalsContact C-N 3.29Å; N329-A331 PolarHBondContact O-N 2.88Å; N329-A331 WeakPolarHBondContact OD1-CA 3.27Å; N329-A331 WeakPolarHBondContact OD1-CB 3.49Å; N329-A331 PolarHBondContact OD1-N 3.38Å
332	G	89.1	Confident	93.6	Very high	30 Å²	30	34.5 Å²	34.5	31%	0.309	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	144.5	-161.9	169.7	0	0	0	0	0	114.2	P252 N329 V330	P252-G332 VanDerWaalsContact CD-C 3.46Å; P252-G332 VanDerWaalsContact CD-O 3.24Å; P252-G332 WeakPolarHBondContact CD-O 3.31Å; P252-G332 WeakPolarHBondContact CG-O 3.27Å; N329-G332 PolarHBondContact N-O 2.93Å; N329-G332 PolarHBondContact O-N 3.32Å; N329-G332 PolarHBondContact OD1-N 3.36Å; V330-G332 VanDerWaalsContact C-N 3.3Å
333	A	92.8	Very high	93.2	Very high	59 Å²	59	33.4 Å²	33.4	49%	0.488	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.2	175.1	0	0	0	0	0	111.4	A327	A327-A333 CarbonylContact O-C 3.58Å; A327-A333 WeakPolarHBondContact O-CA 3.44Å; A327-A333 WeakPolarHBondContact O-CB 3.4Å
334	A	95.9	Very high	92.1	Very high	27 Å²	27	35 Å²	35	22%	0.223	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.2	172.3	0	0	0	0	0	110.2	P252 V254 K326 A327	P252-A334 HydrophobicContact CB-CB 4.32Å; P252-A334 WeakPolarHBondContact O-CB 3.32Å; V254-A334 HydrophobicContact CG2-CB 3.89Å; K326-A334 WeakPolarHBondContact CA-O 3.36Å; A327-A334 PolarHBondContact N-O 2.72Å; A327-A334 PolarHBondContact O-N 2.81Å
335	I	95.5	Very high	90.5	Very high	105 Å²	105	40.4 Å²	40.4	54%	0.538	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.7	-174	-54.8	179.7	0	0	0	108.6	C325 K326	C325-I335 WeakPolarHBondContact O-CA 3.47Å; K326-I335 HydrophobicContact CB-CG1 4.02Å; K326-I335 HydrophobicContact CD-CD1 4.27Å; K326-I335 HydrophobicContact CD-CG1 4.39Å; K326-I335 HydrophobicContact CG-CD1 4.35Å; K326-I335 HydrophobicContact CG-CG1 3.93Å
336	A	95.5	Very high	88.5	Confident	17 Å²	17	47.1 Å²	47.1	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.4	168.3	0	0	0	0	0	109.8	V254 T256 S324 C325	V254-A336 HydrophobicContact CB-CB 4.05Å; V254-A336 HydrophobicContact CG1-CB 3.62Å; T256-A336 HydrophobicContact CG2-CB 3.77Å; S324-A336 CarbonylContact C-O 3.33Å; S324-A336 WeakPolarHBondContact CA-O 3.48Å; C325-A336 PolarHBondContact N-O 2.93Å; C325-A336 PolarHBondContact O-N 3.36Å
337	T	95.6	Very high	86.2	Confident	58 Å²	58	47.8 Å²	47.8	36%	0.356	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.5	-172.3	-55.2	0	0	0	0	111.3	N322 Y323 S324	N322-T337 HydrophobicContact CB-CG2 3.74Å; Y323-T337 WeakPolarHBondContact O-CA 3.31Å; S324-T337 PolarHBondContact OG-OG1 3.1Å
338	I	95.9	Very high	83.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.9	176	-48.9	179.3	0	0	0	108.7	T256 A258 T259 I261 L271 W285 Y323 L340	T256-I338 HydrophobicContact CG2-CD1 3.76Å; T256-I338 HydrophobicContact CG2-CG1 3.71Å; A258-I338 WeakPolarHBondContact O-CG1 3.3Å; A258-I338 WeakPolarHBondContact O-CG2 3.18Å; T259-I338 WeakPolarHBondContact O-CA 3.16Å; I261-I338 HydrophobicContact CD1-CG2 4.02Å; I261-I338 HydrophobicContact CG1-CG2 4.18Å; L271-I338 HydrophobicContact CB-CD1 4.07Å; L271-I338 HydrophobicContact CD2-CG2 4.18Å; W285-I338 HydrophobicContact CH2-CD1 3.93Å; W285-I338 HydrophobicContact CZ3-CD1 4.08Å; Y323-I338 PolarHBondContact N-O 3.31Å; Y323-I338 PolarHBondContact O-N 3.04Å; I338-L340 PolarHBondContact O-N 3.49Å
339	S	95.9	Very high	81.6	Confident	41 Å²	41	56.7 Å²	56.7	29%	0.287	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.1	173.8	-64.3	0	0	0	0	110.8	T259 K260 I261 N322	T259-S339 PolarHBondContact O-N 2.96Å; K260-S339 WeakPolarHBondContact CA-O 3.3Å; I261-S339 PolarHBondContact N-O 3.29Å; N322-S339 WeakPolarHBondContact OD1-CA 3.46Å; N322-S339 WeakPolarHBondContact OD1-CB 3.45Å; N322-S339 PolarHBondContact OD1-OG 2.03Å
340	L	94.4	Very high	79.3	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.016	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.5	173	-177.4	59.6	0	0	0	110.4	I261 V269 L312 I315 A320 G321 Y323 I338	I261-L340 HydrophobicContact CB-CD1 4.08Å; I261-L340 HydrophobicContact CG2-CD1 3.82Å; V269-L340 HydrophobicContact CG1-CD1 4.38Å; V269-L340 HydrophobicContact CG2-CD1 4.47Å; L312-L340 HydrophobicContact CD1-CD2 3.38Å; I315-L340 HydrophobicContact CD1-CD2 4.02Å; A320-L340 WeakPolarHBondContact CA-O 3.11Å; G321-L340 PolarHBondContact N-O 3.35Å; G321-L340 PolarHBondContact O-N 3.32Å; Y323-L340 HydrophobicContact CD2-CB 4.08Å; Y323-L340 HydrophobicContact CE2-CB 4Å; Y323-L340 HydrophobicContact CE2-CD2 3.91Å; I338-L340 PolarHBondContact O-N 3.49Å
341	T	93.8	Very high	77.5	Confident	48 Å²	48	63.9 Å²	63.9	29%	0.294	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	177.2	50.3	0	0	0	0	110.5	I261 T262 S263	I261-T341 PolarHBondContact O-N 2.82Å; I261-T341 PolarHBondContact O-OG1 3.03Å; T262-T341 CarbonylContact C-O 3.02Å; T262-T341 WeakPolarHBondContact CA-O 3.28Å; T262-T341 PolarHBondContact OG1-OG1 2.79Å; S263-T341 PolarHBondContact N-O 2.64Å
342	V	93.1	Very high	75.7	Confident	26 Å²	26	68.1 Å²	68.1	16%	0.158	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.8	-173.3	-177.4	0	0	0	0	109.7	S263 L265 I315 A320	S263-V342 CarbonylContact O-C 3.08Å; S263-V342 WeakPolarHBondContact O-CA 3.33Å; L265-V342 HydrophobicContact CD2-CG1 3.54Å; L265-V342 HydrophobicContact CG-CG1 3.92Å; I315-V342 HydrophobicContact CG2-CB 4.35Å; I315-V342 HydrophobicContact CG2-CG1 3.9Å; I315-V342 HydrophobicContact CG2-CG2 3.47Å; I315-V342 VanDerWaalsContact CG2-CG2 3.47Å; A320-V342 HydrophobicContact CB-CG2 4Å
343	A	85.9	Confident	73.6	Confident	43 Å²	43	73.3 Å²	73.3	36%	0.355	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.8	-177.4	0	0	0	0	0	110.7	T262 S263 T264 L265	T262-A343 HydrophobicContact CG2-CB 4.05Å; S263-A343 PolarHBondContact O-N 2.92Å; T264-A343 WeakPolarHBondContact CA-O 3.21Å; L265-A343 PolarHBondContact N-O 3.02Å
344	G	71.6	Confident	71	Confident	41 Å²	41	81.8 Å²	81.8	42%	0.423	50%	0.496	S	S	.	.			trans	176.1	134.4	173.9	0	0	0	0	0	110
345	T	61.7	Low	68.5	Low	135 Å²	135	86 Å²	86	83%	0.828	52%	0.521	S	S	*	.			trans	-80.1	130.8	170.1	41.4	0	0	0	0	109.3	S347	T345-S347 PolarHBondContact O-N 2.98Å; T345-S347 VanDerWaalsContact O-N 3.09Å
346	M	53.2	Low	65.7	Low	140 Å²	140	86.8 Å²	86.8	69%	0.69	54%	0.536	S	S	*	.			trans	-60	113.4	159.8	-83.5	-75.1	156.8	0	0	107.6	T348	M346-T348 PolarHBondContact O-N 3.47Å
347	S	45.8	Very low	62.9	Low	101 Å²	101	92.8 Å²	92.8	71%	0.706	57%	0.57	S	S	*	*			trans	-76.6	72.4	178.7	-171.8	0	0	0	0	109.8	T345 T349	T345-S347 PolarHBondContact O-N 2.98Å; T345-S347 VanDerWaalsContact O-N 3.09Å; S347-T349 PolarHBondContact O-N 3.18Å; S347-T349 PolarHBondContact OG-OG1 3.04Å
348	T	45.8	Very low	60.1	Low	124 Å²	124	93.5 Å²	93.5	76%	0.761	59%	0.589	S	S	*	*			trans	-72.9	66.5	175.4	-46.3	0	0	0	0	109.7	M346 A350	M346-T348 PolarHBondContact O-N 3.47Å; T348-A350 PolarHBondContact O-N 3.3Å
349	T	44.4	Very low	57.2	Low	116 Å²	116	100.3 Å²	100.3	71%	0.712	63%	0.631	S	S	*	*			trans	-72.6	75.7	174.4	-50.3	0	0	0	0	108.8	S347	S347-T349 PolarHBondContact O-N 3.18Å; S347-T349 PolarHBondContact OG-OG1 3.04Å
350	A	44.3	Very low	54.1	Low	74 Å²	74	101.8 Å²	101.8	61%	0.612	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-58.8	131.5	172.9	0	0	0	0	0	109.4	T348	T348-A350 PolarHBondContact O-N 3.3Å
351	P	48.9	Very low	51.8	Low	115 Å²	115	107.6 Å²	107.6	75%	0.747	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.5	135.2	-179.3	26	-33.6	0	0	0	110.2	V353	P351-V353 PolarHBondContact O-N 3.44Å
352	P	50.1	Low	48.8	Very low	127 Å²	127	110.9 Å²	110.9	83%	0.825	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-69.1	127.5	-173	26.4	-34.2	0	0	0	111.9	R354	P352-R354 PolarHBondContact O-N 3.42Å
353	V	46	Very low	45.9	Very low	140 Å²	140	114 Å²	114	85%	0.848	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-63.9	123.8	172.4	178.3	0	0	0	0	109.3	P351	P351-V353 PolarHBondContact O-N 3.44Å
354	R	38.1	Very low	43.3	Very low	236 Å²	236	121.3 Å²	121.3	89%	0.891	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-85.4	123	-177.8	-157.1	-179.5	-157.5	-167.5	6.2	110.4	P352	P352-R354 PolarHBondContact O-N 3.42Å
355	P	42.3	Very low	41.4	Very low	117 Å²	117	123.1 Å²	123.1	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-65.8	136.3	178.1	-21.9	33.7	0	0	0	112.3
356	S	37.3	Very low	39.9	Very low	120 Å²	120	123.7 Å²	123.7	84%	0.839	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-86.8	118.9	169.9	55.5	0	0	0	0	110.6
357	V	37.8	Very low	38.9	Very low	144 Å²	144	120.4 Å²	120.4	87%	0.873	78%	0.777	S	S	*	*			trans	-125.6	126.8	162.3	179.9	0	0	0	0	107.2
358	G	35.5	Very low	38.4	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	78%	0.781	S	S	*	*			trans	-142.3	134.3	-178.3	0	0	0	0	0	111.7
359	T	35.1	Very low	37.8	Very low	143 Å²	143	122.7 Å²	122.7	88%	0.877	78%	0.78	S	S	*	*			trans	-140.7	121	168.1	32.9	0	0	0	0	106.5
360	G	30.8	Very low	38	Very low	72 Å²	72	122.5 Å²	122.5	74%	0.742	78%	0.781	S	S	*	*			trans	-87.4	-146.6	-178.9	0	0	0	0	0	112.6
361	P	46.6	Very low	38.1	Very low	124 Å²	124	123.9 Å²	123.9	81%	0.805	78%	0.784	S	S	*	*			cis	-106.3	-148.1	5.5	22.4	2.1	0	0	0	110.2
362	T	29.5	Very low	37.4	Very low	117 Å²	117	125.2 Å²	125.2	72%	0.718	78%	0.783	S	S	*	*			cis	-160	158.2	12.9	-32	0	0	0	0	112.3
363	S	32.9	Very low	36.4	Very low	91 Å²	91	126.2 Å²	126.2	64%	0.636	78%	0.781	S	S	*	*			trans	58.8	115.7	146.6	55.1	0	0	0	0	122.6
364	Q	31.1	Very low	35.7	Very low	198 Å²	198	126 Å²	126	93%	0.925	77%	0.774	S	S	*	*			trans	75	130.5	133.3	-62.8	175.5	-2.4	0	0	119.9
365	G	31.3	Very low	35.5	Very low	79 Å²	79	119.6 Å²	119.6	81%	0.814	77%	0.766	S	S	*	*			trans	161.9	80.2	174.4	0	0	0	0	0	115
366	T	31.7	Very low	34.9	Very low	146 Å²	146	123.7 Å²	123.7	90%	0.896	77%	0.772	S	S	*	*			trans	-56.7	156.8	163.8	-0.7	0	0	0	0	111.4
367	A	32	Very low	35	Very low	71 Å²	71	123 Å²	123	59%	0.587	77%	0.767	S	S	*	*			cis	-165.7	172	12.5	0	0	0	0	0	113.3
368	I	34.1	Very low	35.2	Very low	151 Å²	151	122.1 Å²	122.1	77%	0.774	76%	0.764	S	S	*	*				43.8	128.1	126.1	-67.4	169.3	0	0	0	118.5
369	T	33.4	Very low	34.9	Very low	122 Å²	122	125.9 Å²	125.9	75%	0.748	77%	0.766	S	S	*	*			cis	-162.6	173.2	5.6	17.1	0	0	0	0	111.8
370	P	48.6	Very low	34.8	Very low	112 Å²	112	125.1 Å²	125.1	73%	0.727	76%	0.761	S	S	*	*			trans	-90.9	-155	-177.6	40.4	-35.8	0	0	0	112.3
371	P	48	Very low	34.9	Very low	103 Å²	103	125.9 Å²	125.9	67%	0.669	76%	0.761	S	S	*	*			cis	-150.8	-162.2	7.3	47.1	-25	0	0	0	119
372	I	32.6	Very low	34.6	Very low	144 Å²	144	126.2 Å²	126.2	74%	0.738	76%	0.763	S	S	*	*			trans	73.5	94.9	157.1	-65.2	166.2	0	0	0	118.8
373	D	30.7	Very low	34.7	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	77%	0.769	S	S	*	*				41.1	161.4	103.3	-156.9	23	0	0	0	123
374	I	29.7	Very low	34.6	Very low	135 Å²	135	127.6 Å²	127.6	69%	0.692	78%	0.778	S	S	*	*			trans	100.2	92.1	166.3	-51.1	177.3	0	0	0	117.6
375	S	34.8	Very low	34.7	Very low	103 Å²	103	125.9 Å²	125.9	72%	0.72	77%	0.774	S	S	*	*			trans	17.2	118.8	135.7	-59	0	0	0	0	121.1
376	K	28.8	Very low	35.3	Very low	203 Å²	203	128.2 Å²	128.2	88%	0.883	78%	0.775	S	S	*	*				-174.4	164.3	118.5	-102.2	159.4	-173.4	175	0	113.7
377	S	40	Very low	35.1	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	77%	0.769	S	S	*	*			trans	-73.4	161.6	172.4	51.1	0	0	0	0	113.2
378	P	42.5	Very low	35	Very low	125 Å²	125	127 Å²	127	81%	0.812	78%	0.78	S	S	*	*			trans	-138.6	175.3	141.9	37.7	-23.8	0	0	0	116.3
379	L	28.9	Very low	34.7	Very low	151 Å²	151	127.2 Å²	127.2	79%	0.791	78%	0.782	S	S	*	*			trans	-82.8	153.8	-166.7	-89	59.4	0	0	0	116.3
380	T	33.6	Very low	34.4	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	78%	0.782	S	S	*	*				42.5	143.7	123.7	-31.6	0	0	0	0	123.4
381	A	32.5	Very low	33.5	Very low	88 Å²	88	128.4 Å²	128.4	73%	0.727	79%	0.787	S	S	*	*			trans	80.2	151.7	160.4	0	0	0	0	0	116.5
382	P	39.5	Very low	33	Very low	131 Å²	131	129.8 Å²	129.8	85%	0.851	80%	0.796	S	S	*	*				-133.9	170.5	73.2	40.7	-29.1	0	0	0	115.9
383	T	32.9	Very low	32.8	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	80%	0.803	S	S	*	*			trans	-134.6	129	171.8	-53.6	0	0	0	0	110
384	A	30.8	Very low	32.8	Very low	100 Å²	100	126.6 Å²	126.6	83%	0.826	80%	0.804	S	S	*	*			trans	-156.3	146	164.7	0	0	0	0	0	112.4
385	L	32.5	Very low	32.7	Very low	162 Å²	162	125 Å²	125	85%	0.848	81%	0.811	S	S	*	*			trans	-121.5	174.4	174.8	-96.1	164	0	0	0	107.1
386	P	43.1	Very low	32.4	Very low	128 Å²	128	129.7 Å²	129.7	83%	0.831	82%	0.822	S	S	*	*			cis	-148.7	-176.5	35.1	43.1	-22	0	0	0	117.6
387	G	28.2	Very low	32.4	Very low	75 Å²	75	129.3 Å²	129.3	77%	0.773	82%	0.82	S	S	*	*			trans	147	134.7	165.4	0	0	0	0	0	113
388	S	30.3	Very low	31.8	Very low	117 Å²	117	129.7 Å²	129.7	82%	0.818	82%	0.82	S	S	*	*			trans	-138.2	144.8	-174.8	167.1	0	0	0	0	111.4
389	L	27.7	Very low	31.5	Very low	154 Å²	154	129.9 Å²	129.9	81%	0.806	82%	0.821	S	S	*	*			trans	-168.7	117	145.1	-105.8	163	0	0	0	113
390	T	27	Very low	31.4	Very low	124 Å²	124	131.8 Å²	131.8	76%	0.761	82%	0.823	S	S	*	*			trans	55.3	132.7	151.5	47.8	0	0	0	0	122.8
391	T	28.9	Very low	31.1	Very low	135 Å²	135	131.7 Å²	131.7	83%	0.828	83%	0.825	S	S	*	*			trans	-123.2	162.8	158.4	55.3	0	0	0	0	110.4
392	P	37.4	Very low	30.9	Very low	133 Å²	133	135.8 Å²	135.8	86%	0.864	83%	0.833	S	S	*	*			trans	-134.5	156.5	134.4	37.1	-27.4	0	0	0	113
393	S	28.7	Very low	30.2	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	83%	0.832	S	S	*	*			trans	-111.4	149.3	173.7	-177.2	0	0	0	0	110.7
394	A	30	Very low	29.8	Very low	99 Å²	99	132 Å²	132	82%	0.818	83%	0.825	S	S	*	*			trans	-126.9	130.8	-178.9	0	0	0	0	0	111.3
395	A	29.1	Very low	29.4	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	83%	0.827	S	S	*	*			trans	-104.4	150.6	178.3	0	0	0	0	0	111.8
396	Q	28.7	Very low	29	Very low	201 Å²	201	131.7 Å²	131.7	94%	0.939	82%	0.818	S	S	*	*			trans	-116.4	162.7	172.4	-68.8	-169.1	-3.7	0	0	111.7
397	K	27.6	Very low	28	Very low	196 Å²	196	130.5 Å²	130.5	85%	0.852	81%	0.813	S	S	*	*			trans	-151.1	138.5	-156.8	-169.6	-179.5	-173.7	172.7	0	112
398	P	28.2	Very low	27.9	Very low	114 Å²	114	134.9 Å²	134.9	74%	0.74	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.9	162.4	173	-19	33.3	0	0	0	114.1
399	P	35	Very low	27.6	Very low	129 Å²	129	138.5 Å²	138.5	84%	0.838	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-95	170.9	-161.4	37.2	-37.7	0	0	0	116.5
400	K	27.6	Very low	27.4	Very low	191 Å²	191	134.9 Å²	134.9	83%	0.83	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-100.1	154.6	165.4	-71.3	-178.8	173.1	-177	0	111.3
401	P	28.5	Very low	27.1	Very low	126 Å²	126	134.3 Å²	134.3	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-82.2	167.9	158.9	34.7	-33.3	0	0	0	112.7
402	I	28.3	Very low	26.8	Very low	174 Å²	174	135.7 Å²	135.7	89%	0.892	82%	0.816	S	S	*	*			trans	-121.5	162.4	-178.4	-67	175.1	0	0	0	109.8
403	S	24.3	Very low	26.1	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	81%	0.814	S	S	*	*			trans	-111.3	149.4	-172.7	-176.7	0	0	0	0	114
404	G	24.1	Very low	25.7	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	80%	0.804	S	S	*	*			trans	108.4	143.1	169.1	0	0	0	0	0	114.9
405	N	23.3	Very low	25.3	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	80%	0.802	S	S	*	*			cis	-162.3	167	-0.7	-160.6	7.3	0	0	0	113.4
406	S	23.3	Very low	25	Very low	96 Å²	96	141.6 Å²	141.6	67%	0.671	80%	0.795	S	S	*	*			trans	101	129.8	152	85.4	0	0	0	0	122.2
407	S	22.6	Very low	24.7	Very low	102 Å²	102	138 Å²	138	71%	0.713	78%	0.782	S	S	*	*			trans	97	91.6	136.5	-59.8	0	0	0	0	123.3
408	Q	25.5	Very low	24.6	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	77%	0.774	S	S	*	*			trans	65.3	151	142.4	-47.9	-166.8	15.8	0	0	118.3
409	K	23.1	Very low	24.5	Very low	193 Å²	193	138.3 Å²	138.3	84%	0.839	78%	0.777	S	S	*	*			cis	-161.4	152.3	12.6	-146.7	168.4	-176.4	169.5	0	109.8
410	G	23.4	Very low	24	Very low	78 Å²	78	135.7 Å²	135.7	80%	0.804	77%	0.773	S	S	*	*			trans	133.1	121.8	164.6	0	0	0	0	0	115.2
411	S	20.7	Very low	23.8	Very low	111 Å²	111	130 Å²	130	78%	0.776	77%	0.769	S	S	*	*			trans	-158.9	130.9	177.6	173.1	0	0	0	0	111
412	L	23.5	Very low	23.7	Very low	164 Å²	164	133.8 Å²	133.8	86%	0.859	77%	0.773	S	S	*	*			trans	174.4	149.1	162.3	-91.5	134.9	0	0	0	107.2
413	K	22.7	Very low	23.6	Very low	185 Å²	185	134.2 Å²	134.2	80%	0.804	77%	0.768	S	S	*	*			cis	-171.2	169	-37.3	-125.8	-176.7	178.4	-174.2	0	108.5
414	E	20.5	Very low	23.7	Very low	145 Å²	145	136.1 Å²	136.1	68%	0.678	77%	0.768	S	S	*	*			trans	-69.1	149.6	178.5	-55.9	161	78.8	0	0	115.1	K416	E414-K416 IonicContact OE1-NZ 3.45Å; E414-K416 PolarHBondContact OE1-NZ 2.71Å
415	A	21.9	Very low	23.8	Very low	93 Å²	93	137.2 Å²	137.2	77%	0.769	77%	0.771	S	S	*	*				-168	128.8	121.4	0	0	0	0	0	108.4
416	K	22.1	Very low	23.8	Very low	160 Å²	160	134.3 Å²	134.3	70%	0.696	77%	0.769	S	S	*	*				64.6	102.3	53.7	-76.6	178	176.1	140.1	0	115.1	E414	E414-K416 IonicContact OE1-NZ 3.45Å; E414-K416 PolarHBondContact OE1-NZ 2.71Å
417	N	23.3	Very low	23.9	Very low	125 Å²	125	138 Å²	138	67%	0.668	78%	0.781	S	S	*	*				-171.6	139.6	101.5	-104.2	-4.6	0	0	0	111.1
418	Q	24.9	Very low	24.1	Very low	143 Å²	143	142 Å²	142	67%	0.668	79%	0.788	S	S	*	*				62.2	141.6	98	-64.1	-175.4	47.8	0	0	114.3
419	Q	25.9	Very low	24.1	Very low	174 Å²	174	143.3 Å²	143.3	81%	0.813	79%	0.791	S	S	*	*			cis	-152.1	168.2	11.2	-121	159.9	21.3	0	0	108.3
420	G	24.3	Very low	24.3	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	78%	0.783	S	S	*	*			cis	-175.2	-170	3.9	0	0	0	0	0	110.7
421	G	24.3	Very low	24.4	Very low	72 Å²	72	144 Å²	144	74%	0.742	78%	0.784	S	S	*	*			trans	-163.7	-172.1	-179.5	0	0	0	0	0	114.2
422	K	26.5	Very low	24.7	Very low	205 Å²	205	147.2 Å²	147.2	89%	0.891	78%	0.784	S	S	*	*			trans	-134.3	113.3	171.1	-68.2	178.8	179.1	176.3	0	107.2
423	K	25.6	Very low	25	Very low	183 Å²	183	146.4 Å²	146.4	80%	0.796	79%	0.786	S	S	*	*				71.2	112.7	74.5	-74.1	-150.2	167.9	-173.3	0	112.2
424	L	26.2	Very low	25.4	Very low	160 Å²	160	144.3 Å²	144.3	84%	0.838	78%	0.784	S	S	*	*				77.6	137.8	64.4	-75.7	175.9	0	0	0	111.9
425	A	25.5	Very low	26.2	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	79%	0.789	S	S	*	*			cis	-156	-179.1	-0.1	0	0	0	0	0	111.1
426	A	25.1	Very low	26.9	Very low	99 Å²	99	144 Å²	144	82%	0.818	79%	0.792	S	S	*	*			trans	-122.5	150.7	157	0	0	0	0	0	109.3
427	D	25	Very low	28.2	Very low	173 Å²	173	146.8 Å²	146.8	93%	0.925	80%	0.798	S	S	*	*			trans	-74.8	147.9	-173	-91.3	-41.4	0	0	0	114.3
428	E	27.2	Very low	29.7	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	78%	0.782	S	S	*	*			trans	-110.1	131	166.8	-174.1	-175.9	-172.4	0	0	110.1
429	K	25.1	Very low	31.2	Very low	195 Å²	195	137.2 Å²	137.2	85%	0.848	76%	0.759	S	S	*	*			trans	-137.9	60.5	-178	-154.9	175.8	-175.6	173.7	0	115.8
430	S	26.8	Very low	32.8	Very low	95 Å²	95	135.2 Å²	135.2	66%	0.664	75%	0.747	S	S	*	*			trans	66.8	148.9	147.9	79.5	0	0	0	0	121.2
431	K	25.8	Very low	34.6	Very low	190 Å²	190	137.6 Å²	137.6	83%	0.826	74%	0.743	S	S	*	*			trans	90.1	128.1	156.5	-76	179.6	173.4	173.3	0	120.2
432	K	26.9	Very low	37	Very low	178 Å²	178	135.5 Å²	135.5	77%	0.774	71%	0.714	S	S	*	*			trans	65.5	104.7	153.4	-70.7	-170.2	168.2	-164.8	0	117.8
433	T	30.2	Very low	39.4	Very low	148 Å²	148	131.8 Å²	131.8	91%	0.908	70%	0.7	S	S	*	*			trans	-51.4	129.2	136.3	47.6	0	0	0	0	110.1
434	D	30	Very low	41.9	Very low	141 Å²	141	124.1 Å²	124.1	75%	0.754	67%	0.668	S	S	*	*			trans	-124.4	129.8	165.5	-133.2	-34.1	0	0	0	108.5	S436	D434-S436 PolarHBondContact O-N 2.99Å
435	S	37.4	Very low	44.1	Very low	111 Å²	111	120.7 Å²	120.7	78%	0.776	65%	0.653	S	S	*	*			trans	-101.7	79.2	-165.2	60.8	0	0	0	0	112	R437	S435-R437 PolarHBondContact O-N 2.8Å
436	S	37.5	Very low	46.3	Very low	120 Å²	120	122.4 Å²	122.4	84%	0.839	65%	0.646	S	S	*	*			trans	-71	108.6	174.2	49.5	0	0	0	0	111.7	D434	D434-S436 PolarHBondContact O-N 2.99Å
437	R	49	Very low	48.7	Very low	219 Å²	219	121.4 Å²	121.4	83%	0.826	62%	0.624	S	S	*	*			trans	-72.7	139.2	161.8	-64.1	178.5	-179.1	161.2	-1.5	108.5	S435	S435-R437 PolarHBondContact O-N 2.8Å
438	G	54.4	Low	51	Low	31 Å²	31	115.7 Å²	115.7	32%	0.32	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-177.3	159.3	-178.5	0	0	0	0	0	114.2	G459	G438-G459 PolarHBondContact N-O 2.86Å; G438-G459 CarbonylContact O-C 3.5Å; G438-G459 WeakPolarHBondContact O-CA 3.48Å; G438-G459 PolarHBondContact O-N 3.36Å; G438-G459 VanDerWaalsContact O-O 3.14Å
439	L	57.2	Low	53.3	Low	36 Å²	36	108.1 Å²	108.1	19%	0.188	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.5	150.5	172.7	-143.3	76.6	0	0	0	110.4	W456 A458 L467 L507 P518	L439-W456 HydrophobicContact CD2-CB 4.33Å; L439-W456 HydrophobicContact CD2-CG 4.31Å; L439-A458 HydrophobicContact CD1-CB 4.28Å; L439-L467 HydrophobicContact CD1-CD1 4.15Å; L439-L467 HydrophobicContact CD1-CD2 4.32Å; L439-L507 HydrophobicContact CD2-CB 3.69Å; L439-L507 HydrophobicContact CD2-CD1 3.89Å; L439-L507 HydrophobicContact CD2-CD2 4.47Å; L439-L507 HydrophobicContact CD2-CG 4.24Å; L439-P518 HydrophobicContact CB-CG 4.36Å; L439-P518 HydrophobicContact CD2-CG 4.03Å
440	K	59.2	Low	56	Low	132 Å²	132	103.5 Å²	103.5	57%	0.574	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.8	177.1	-70.4	-166.6	176	-170.4	0	111.8	T457	K440-T457 PolarHBondContact N-O 2.94Å; K440-T457 PolarHBondContact O-N 3.26Å; K440-T457 VanDerWaalsContact O-O 3.06Å; K440-T457 PolarHBondContact O-OG1 2.73Å
441	D	62.8	Low	58.6	Low	124 Å²	124	100 Å²	100	66%	0.663	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.2	73	165.1	-47.4	-25.5	0	0	0	112.1	W456	D441-W456 WeakPolarHBondContact O-CA 3.49Å
442	L	73.1	Confident	61.4	Low	27 Å²	27	91 Å²	91	14%	0.141	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.9	174.1	176	56.1	0	0	0	109.4	L454 L455 W456 L507 P518 I520	L442-L454 HydrophobicContact CD1-CD1 3.44Å; L442-L454 VanDerWaalsContact CD1-CD1 3.44Å; L442-L454 HydrophobicContact CD1-CD2 4.1Å; L442-L454 HydrophobicContact CD1-CG 3.66Å; L442-L454 HydrophobicContact CG-CD1 4.22Å; L442-L455 WeakPolarHBondContact CA-O 3.07Å; L442-L455 VanDerWaalsContact CD1-O 3.26Å; L442-L455 WeakPolarHBondContact CD1-O 3.48Å; L442-W456 HydrophobicContact CD1-CB 4.24Å; L442-L507 HydrophobicContact CD1-CD1 3.52Å; L442-L507 HydrophobicContact CD2-CD1 4.24Å; L442-L507 HydrophobicContact CG-CD1 4.44Å; L442-P518 HydrophobicContact CB-CB 4.42Å; L442-P518 HydrophobicContact CD2-CB 4.19Å; L442-P518 HydrophobicContact CD2-CG 4.45Å; L442-I520 HydrophobicContact CD2-CG2 3.93Å; L442-I520 HydrophobicContact CG-CG2 3.98Å
443	E	78.1	Confident	64.1	Low	128 Å²	128	83.9 Å²	83.9	60%	0.598	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	154.8	-175.1	-171.9	166.4	-150.6	0	0	111.4	V445 L455	E443-V445 HydrophobicContact CG-CG2 4.36Å; E443-L455 PolarHBondContact N-O 2.86Å; E443-L455 PolarHBondContact O-N 3.41Å
444	I	76.8	Confident	66.8	Low	22 Å²	22	76.9 Å²	76.9	11%	0.113	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.8	176.5	-65.9	169.4	0	0	0	107.5	Q447 A452 V453 L454 V505 I520 F522	I444-Q447 HydrophobicContact CG2-CG 3.55Å; I444-A452 HydrophobicContact CG2-CB 4.45Å; I444-V453 WeakPolarHBondContact CA-O 3.29Å; I444-L454 HydrophobicContact CD1-CD1 3.97Å; I444-L454 HydrophobicContact CG1-CD1 3.4Å; I444-V505 HydrophobicContact CD1-CG1 4.09Å; I444-I520 HydrophobicContact CD1-CG2 3.8Å; I444-I520 HydrophobicContact CG1-CG2 4.29Å; I444-F522 HydrophobicContact CD1-CB 3.64Å; I444-F522 HydrophobicContact CD1-CD1 3.36Å; I444-F522 HydrophobicContact CD1-CD2 4.47Å; I444-F522 HydrophobicContact CD1-CE1 4.07Å; I444-F522 HydrophobicContact CD1-CG 3.59Å
445	V	73.8	Confident	69.3	Low	87 Å²	87	73.3 Å²	73.3	53%	0.527	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-31.4	-165.9	179.5	0	0	0	0	112.5	E443 V453 L455	E443-V445 HydrophobicContact CG-CG2 4.36Å; V445-V453 PolarHBondContact N-O 3.46Å; V445-V453 VanDerWaalsContact N-O 3.08Å; V445-L455 HydrophobicContact CB-CD1 4.25Å; V445-L455 HydrophobicContact CG2-CD1 3.9Å
446	E	70.9	Confident	71.5	Confident	128 Å²	128	68.5 Å²	68.5	60%	0.598	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.3	177.4	-64.1	178.3	154.5	0	0	109.3	A452 V453	E446-A452 CarbonylContact O-C 3.56Å; E446-A452 WeakPolarHBondContact O-CA 3.35Å; E446-V453 HydrophobicContact CB-CB 4.18Å; E446-V453 HydrophobicContact CB-CG2 4.04Å; E446-V453 PolarHBondContact O-N 2.93Å
447	Q	75.6	Confident	73.2	Confident	78 Å²	78	66.1 Å²	66.1	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.6	-179.3	-71.5	167.9	80.4	0	0	108.3	I444 A452 F522 Y523	I444-Q447 HydrophobicContact CG2-CG 3.55Å; Q447-A452 HydrophobicContact CG-CB 4.18Å; Q447-F522 HydrophobicContact CG-CD2 4.23Å; Q447-Y523 PolarHBondContact OE1-O 3.47Å
448	T	74	Confident	74.1	Confident	52 Å²	52	57.3 Å²	57.3	32%	0.319	31%	0.314	S	S	.	.			trans	-125.1	-167.7	174.9	72.7	0	0	0	0	110.4	D450 S451 T524 E525	T448-D450 VanDerWaalsContact C-N 3.28Å; T448-D450 PolarHBondContact OG1-N 2.88Å; T448-D450 VanDerWaalsContact OG1-N 3.1Å; T448-D450 PolarHBondContact OG1-OD1 3.18Å; T448-S451 PolarHBondContact N-O 3.19Å; T448-S451 PolarHBondContact OG1-N 3.1Å; T448-S451 PolarHBondContact OG1-O 2.91Å; T448-S451 PolarHBondContact OG1-OG 3.19Å; T448-T524 WeakPolarHBondContact O-CA 3.49Å; T448-T524 WeakPolarHBondContact O-CB 3.45Å; T448-E525 PolarHBondContact O-N 2.91Å
449	A	75.1	Confident	74.2	Confident	29 Å²	29	57.5 Å²	57.5	24%	0.24	32%	0.316	C	S	.	.	S	Bend	trans	-68.9	-21.5	169.6	0	0	0	0	0	113.7	S498 P499 E525	A449-S498 CarbonylContact O-C 3.55Å; A449-P499 HydrophobicContact CB-CB 4.12Å; A449-P499 WeakPolarHBondContact O-CA 3.37Å; A449-P499 WeakPolarHBondContact O-CB 3.46Å; A449-P499 WeakPolarHBondContact O-CD 3.47Å; A449-P499 VanDerWaalsContact O-N 3.1Å; A449-E525 WeakPolarHBondContact CA-O 3.37Å
450	D	80.5	Confident	74.3	Confident	98 Å²	98	58.4 Å²	58.4	52%	0.524	33%	0.334	S	S	.	.	S	Bend	trans	-138.8	-10.2	-166	61.8	-21.6	0	0	0	115.4	T448 G496 L497	T448-D450 VanDerWaalsContact C-N 3.28Å; T448-D450 PolarHBondContact OG1-N 2.88Å; T448-D450 VanDerWaalsContact OG1-N 3.1Å; T448-D450 PolarHBondContact OG1-OD1 3.18Å; D450-G496 PolarHBondContact O-N 3.33Å; D450-G496 VanDerWaalsContact O-N 3.1Å; D450-L497 PolarHBondContact O-N 3.47Å
451	S	81.5	Confident	74.4	Confident	20 Å²	20	54.5 Å²	54.5	14%	0.14	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	167.7	175.8	70.2	0	0	0	0	114.1	T448 L494 D495	T448-S451 PolarHBondContact N-O 3.19Å; T448-S451 PolarHBondContact OG1-N 3.1Å; T448-S451 PolarHBondContact OG1-O 2.91Å; T448-S451 PolarHBondContact OG1-OG 3.19Å; S451-L494 CarbonylContact C-O 3.52Å; S451-L494 WeakPolarHBondContact CA-O 3.4Å; S451-L494 VanDerWaalsContact CB-O 3.24Å; S451-L494 WeakPolarHBondContact CB-O 3.39Å; S451-D495 WeakPolarHBondContact CB-OD1 3.32Å
452	A	84.4	Confident	74.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.7	175.9	0	0	0	0	0	112.9	I444 E446 Q447 L494 L497 F522	I444-A452 HydrophobicContact CG2-CB 4.45Å; E446-A452 CarbonylContact O-C 3.56Å; E446-A452 WeakPolarHBondContact O-CA 3.35Å; Q447-A452 HydrophobicContact CG-CB 4.18Å; A452-L494 PolarHBondContact N-O 3.25Å; A452-L494 PolarHBondContact O-N 3.29Å; A452-L497 HydrophobicContact CB-CD1 4.01Å; A452-F522 HydrophobicContact CB-CD2 4.15Å; A452-F522 HydrophobicContact CB-CE2 3.47Å; A452-F522 VanDerWaalsContact CB-CE2 3.47Å; A452-F522 HydrophobicContact CB-CZ 3.9Å
453	V	85.3	Confident	73.8	Confident	30 Å²	30	60.3 Å²	60.3	18%	0.182	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.3	-178.3	-174.1	0	0	0	0	111	I444 V445 E446 L455 L493	I444-V453 WeakPolarHBondContact CA-O 3.29Å; V445-V453 PolarHBondContact N-O 3.46Å; V445-V453 VanDerWaalsContact N-O 3.08Å; E446-V453 HydrophobicContact CB-CB 4.18Å; E446-V453 HydrophobicContact CB-CG2 4.04Å; E446-V453 PolarHBondContact O-N 2.93Å; V453-L455 HydrophobicContact CG1-CD1 3.88Å; V453-L493 HydrophobicContact CG2-CD1 3.78Å
454	L	85.5	Confident	73.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.9	-174.3	-173	75.5	0	0	0	110.5	L442 I444 V469 K491 V492 V505 L507 I520	L442-L454 HydrophobicContact CD1-CD1 3.44Å; L442-L454 VanDerWaalsContact CD1-CD1 3.44Å; L442-L454 HydrophobicContact CD1-CD2 4.1Å; L442-L454 HydrophobicContact CD1-CG 3.66Å; L442-L454 HydrophobicContact CG-CD1 4.22Å; I444-L454 HydrophobicContact CD1-CD1 3.97Å; I444-L454 HydrophobicContact CG1-CD1 3.4Å; L454-V469 HydrophobicContact CD2-CG1 3.99Å; L454-K491 CarbonylContact O-C 3.52Å; L454-K491 WeakPolarHBondContact O-CA 3.47Å; L454-V492 HydrophobicContact CB-CG1 4Å; L454-V492 HydrophobicContact CD2-CG1 4.1Å; L454-V492 PolarHBondContact N-O 2.88Å; L454-V492 PolarHBondContact O-N 2.79Å; L454-V505 HydrophobicContact CD1-CG1 3.84Å; L454-V505 HydrophobicContact CD2-CG1 4.43Å; L454-V505 HydrophobicContact CD2-CG2 3.77Å; L454-L507 HydrophobicContact CD2-CD1 4.32Å; L454-I520 HydrophobicContact CD1-CG2 4.27Å
455	L	82.6	Confident	73	Confident	66 Å²	66	59.9 Å²	59.9	35%	0.346	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.7	177.7	-83.6	81.4	0	0	0	111.8	L442 E443 V445 V453 G490 K491	L442-L455 WeakPolarHBondContact CA-O 3.07Å; L442-L455 VanDerWaalsContact CD1-O 3.26Å; L442-L455 WeakPolarHBondContact CD1-O 3.48Å; E443-L455 PolarHBondContact N-O 2.86Å; E443-L455 PolarHBondContact O-N 3.41Å; V445-L455 HydrophobicContact CB-CD1 4.25Å; V445-L455 HydrophobicContact CG2-CD1 3.9Å; V453-L455 HydrophobicContact CG1-CD1 3.88Å; L455-G490 WeakPolarHBondContact CA-O 3.44Å; L455-K491 HydrophobicContact CD1-CB 4.2Å; L455-K491 HydrophobicContact CG-CB 3.95Å
456	W	83.8	Confident	73.1	Confident	11 Å²	11	58.7 Å²	58.7	4%	0.042	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	163.9	176	67.5	87.2	0	0	0	113.4	L439 D441 L442 L467 T485 A487 S489 G490 K491 V492 L507	L439-W456 HydrophobicContact CD2-CB 4.33Å; L439-W456 HydrophobicContact CD2-CG 4.31Å; D441-W456 WeakPolarHBondContact O-CA 3.49Å; L442-W456 HydrophobicContact CD1-CB 4.24Å; W456-L467 HydrophobicContact CZ2-CD1 4.14Å; W456-T485 HydrophobicContact CH2-CG2 3.68Å; W456-T485 HydrophobicContact CZ2-CG2 3.85Å; W456-A487 PolarHBondContact NE1-O 3.45Å; W456-S489 WeakPolarHBondContact CH2-OG 3.45Å; W456-S489 VanDerWaalsContact CZ2-OG 3.24Å; W456-S489 WeakPolarHBondContact CZ2-OG 3.45Å; W456-G490 PolarHBondContact N-O 3.44Å; W456-K491 VanDerWaalsContact CZ3-C 3.45Å; W456-V492 HydrophobicContact CH2-CB 4.32Å; W456-V492 HydrophobicContact CZ3-CB 4.11Å; W456-V492 HydrophobicContact CZ3-CG1 4.07Å; W456-L507 HydrophobicContact CB-CD1 3.87Å; W456-L507 HydrophobicContact CD2-CD1 3.78Å; W456-L507 HydrophobicContact CD2-CD2 4.5Å; W456-L507 HydrophobicContact CE3-CD1 3.73Å; W456-L507 HydrophobicContact CG-CD1 3.85Å
457	T	73.7	Confident	73.5	Confident	69 Å²	69	52.7 Å²	52.7	42%	0.423	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.2	172	75.1	0	0	0	0	113	K440 G459	K440-T457 PolarHBondContact N-O 2.94Å; K440-T457 PolarHBondContact O-N 3.26Å; K440-T457 VanDerWaalsContact O-O 3.06Å; K440-T457 PolarHBondContact O-OG1 2.73Å; T457-G459 PolarHBondContact O-N 3.46Å
458	A	66.9	Low	73.8	Confident	34 Å²	34	49.8 Å²	49.8	28%	0.281	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	83.7	-175	0	0	0	0	0	112.5	L439 G460 A487	L439-A458 HydrophobicContact CD1-CB 4.28Å; A458-G460 PolarHBondContact O-N 3.09Å; A458-A487 HydrophobicContact CB-CB 4.19Å
459	G	57.3	Low	74.3	Confident	35 Å²	35	47.3 Å²	47.3	36%	0.361	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	78.2	-178.7	0	0	0	0	0	115.3	G438 T457	G438-G459 PolarHBondContact N-O 2.86Å; G438-G459 CarbonylContact O-C 3.5Å; G438-G459 WeakPolarHBondContact O-CA 3.48Å; G438-G459 PolarHBondContact O-N 3.36Å; G438-G459 VanDerWaalsContact O-O 3.14Å; T457-G459 PolarHBondContact O-N 3.46Å
460	G	59.9	Low	74.8	Confident	56 Å²	56	47.4 Å²	47.4	58%	0.577	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	25.1	172.6	0	0	0	0	0	115.4	A458	A458-G460 PolarHBondContact O-N 3.09Å
461	L	61.3	Low	75.1	Confident	49 Å²	49	43.9 Å²	43.9	26%	0.257	27%	0.271	S	S	.	.			trans	-91.1	157.8	162.6	-76.4	80.1	0	0	0	110	A465 A487	L461-A465 HydrophobicContact CD2-CB 4.4Å; L461-A487 HydrophobicContact CB-CB 4.25Å
462	L	61	Low	75.4	Confident	150 Å²	150	43.5 Å²	43.5	79%	0.785	27%	0.269	S	S	*	.			trans	-71.9	136.9	167.6	-78.8	159.8	0	0	0	109.6	D464 A465	L462-D464 PolarHBondContact O-N 3.25Å; L462-A465 VanDerWaalsContact O-CB 3.22Å; L462-A465 WeakPolarHBondContact O-CB 3.28Å; L462-A465 PolarHBondContact O-N 3.27Å
463	N	61.8	Low	75.4	Confident	123 Å²	123	44.7 Å²	44.7	66%	0.658	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.1	-173.7	-65.4	5.6	0	0	0	114.5	G488	N463-G488 PolarHBondContact O-N 2.86Å
464	D	65.4	Low	75	Confident	114 Å²	114	49.3 Å²	49.3	61%	0.61	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	6	-178	-134.1	43.7	0	0	0	114	L462 K486	L462-D464 PolarHBondContact O-N 3.25Å; D464-K486 WeakPolarHBondContact OD1-CD 3.45Å; D464-K486 WeakPolarHBondContact OD1-CE 3.26Å; D464-K486 IonicContact OD1-NZ 3.92Å; D464-K486 PolarHBondContact OD1-NZ 2.75Å; D464-K486 IonicContact OD2-NZ 2.69Å; D464-K486 PolarHBondContact OD2-NZ 2.8Å; D464-K486 VanDerWaalsContact OD2-NZ 3.11Å
465	A	73.2	Confident	74.4	Confident	27 Å²	27	53 Å²	53	22%	0.223	33%	0.33	C	S	.	.			trans	-67	134.2	178.1	0	0	0	0	0	111.7	L461 L462 K486 A487	L461-A465 HydrophobicContact CD2-CB 4.4Å; L462-A465 VanDerWaalsContact O-CB 3.22Å; L462-A465 WeakPolarHBondContact O-CB 3.28Å; L462-A465 PolarHBondContact O-N 3.27Å; A465-K486 WeakPolarHBondContact O-CA 3.29Å; A465-A487 HydrophobicContact CB-CB 4.14Å; A465-A487 PolarHBondContact O-N 2.88Å
466	P	74.8	Confident	74	Confident	63 Å²	63	55 Å²	55	41%	0.409	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.5	-179.2	29.2	-33.8	0	0	0	112	K510	P466-K510 HydrophobicContact CG-CB 4.39Å
467	L	79.3	Confident	73.1	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.4	169.5	-73.4	169.5	0	0	0	109	L439 W456 E484 T485 A487 L507 A509	L439-L467 HydrophobicContact CD1-CD1 4.15Å; L439-L467 HydrophobicContact CD1-CD2 4.32Å; W456-L467 HydrophobicContact CZ2-CD1 4.14Å; L467-E484 WeakPolarHBondContact O-CA 3.39Å; L467-T485 HydrophobicContact CB-CG2 3.79Å; L467-T485 PolarHBondContact N-O 3.41Å; L467-T485 PolarHBondContact O-N 3.44Å; L467-T485 VanDerWaalsContact O-O 3.1Å; L467-A487 HydrophobicContact CD1-CB 4.23Å; L467-L507 HydrophobicContact CB-CD2 4.12Å; L467-L507 HydrophobicContact CD1-CD2 4.08Å; L467-L507 HydrophobicContact CD2-CD2 4.47Å; L467-L507 HydrophobicContact CG-CD2 4.47Å; L467-A509 HydrophobicContact CD2-CB 3.82Å
468	T	81.9	Confident	72.8	Confident	18 Å²	18	64.5 Å²	64.5	11%	0.11	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.8	169.7	-51.6	0	0	0	0	108.4	V470 T482 M483 E484 V508	T468-V470 HydrophobicContact CG2-CG2 4.22Å; T468-T482 HydrophobicContact CG2-CG2 4.45Å; T468-M483 WeakPolarHBondContact CA-O 3.29Å; T468-E484 PolarHBondContact OG1-OE1 2.89Å; T468-V508 PolarHBondContact N-O 2.86Å; T468-V508 PolarHBondContact O-N 3.34Å
469	V	85	Confident	73.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127	169.4	-179.8	0	0	0	0	107.4	L454 T482 M483 T485 V492 L494 V505 C506 L507	L454-V469 HydrophobicContact CD2-CG1 3.99Å; V469-T482 CarbonylContact O-C 3.58Å; V469-T482 VanDerWaalsContact O-CA 3.32Å; V469-T482 WeakPolarHBondContact O-CA 3.22Å; V469-M483 PolarHBondContact N-O 3.28Å; V469-M483 PolarHBondContact O-N 3.41Å; V469-T485 HydrophobicContact CG2-CG2 3.96Å; V469-V492 HydrophobicContact CG2-CG1 4.21Å; V469-L494 HydrophobicContact CG1-CD2 4.22Å; V469-V505 HydrophobicContact CG1-CG2 3.51Å; V469-C506 WeakPolarHBondContact CA-O 3.39Å; V469-L507 HydrophobicContact CG2-CD2 3.52Å; V469-L507 HydrophobicContact CG2-CG 4.07Å
470	V	84.9	Confident	74.1	Confident	30 Å²	30	68 Å²	68	18%	0.182	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	179.5	-175.2	0	0	0	0	107.8	T468 K480 R481 T482 V505 C506 V508	T468-V470 HydrophobicContact CG2-CG2 4.22Å; V470-K480 HydrophobicContact CG1-CB 4.18Å; V470-K480 HydrophobicContact CG1-CD 4.14Å; V470-K480 HydrophobicContact CG1-CG 4.2Å; V470-R481 WeakPolarHBondContact CA-O 3.3Å; V470-T482 HydrophobicContact CB-CG2 4.48Å; V470-T482 HydrophobicContact CG1-CG2 4.18Å; V470-T482 HydrophobicContact CG2-CG2 4.04Å; V470-V505 CarbonylContact O-C 3.56Å; V470-V505 WeakPolarHBondContact O-CA 3.36Å; V470-C506 PolarHBondContact N-O 3.13Å; V470-C506 PolarHBondContact O-N 3.5Å; V470-V508 HydrophobicContact CG2-CG2 4.09Å
471	Y	87.8	Confident	75.1	Confident	25 Å²	25	71 Å²	71	10%	0.098	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.9	178.1	70	-83.1	0	0	0	112.7	R481 L494 L497 S504	Y471-R481 HydrophobicContact CD1-CB 4.15Å; Y471-R481 HydrophobicContact CD2-CB 4.44Å; Y471-R481 HydrophobicContact CE1-CB 3.72Å; Y471-R481 HydrophobicContact CE2-CB 4.04Å; Y471-R481 HydrophobicContact CE2-CG 4.37Å; Y471-R481 HydrophobicContact CG-CB 4.49Å; Y471-R481 PolarHBondContact N-O 3.35Å; Y471-R481 PolarHBondContact O-N 3.46Å; Y471-R481 VanDerWaalsContact OH-CD 3.28Å; Y471-R481 WeakPolarHBondContact OH-CD 3.34Å; Y471-L494 HydrophobicContact CD1-CD2 3.93Å; Y471-L494 HydrophobicContact CE1-CD2 3.92Å; Y471-L494 HydrophobicContact CG-CD1 4.48Å; Y471-L497 HydrophobicContact CD2-CD2 4.1Å; Y471-L497 HydrophobicContact CE2-CD2 3.75Å; Y471-S504 WeakPolarHBondContact CA-O 3.36Å; Y471-S504 WeakPolarHBondContact CB-O 3.4Å
472	S	86.8	Confident	76.2	Confident	12 Å²	12	73.4 Å²	73.4	8%	0.084	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	162.4	177.3	67.9	0	0	0	0	111.3	Y503 S504	S472-Y503 WeakPolarHBondContact O-CA 3.46Å; S472-Y503 WeakPolarHBondContact O-CD1 3.42Å; S472-S504 PolarHBondContact N-O 3.26Å; S472-S504 PolarHBondContact O-N 2.97Å
473	P	84.4	Confident	77	Confident	25 Å²	25	70.1 Å²	70.1	16%	0.162	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	143.4	163.6	-19.7	32.8	0	0	0	110.7	G475 E476 S479 Y503	P473-G475 PolarHBondContact O-N 2.93Å; P473-E476 HydrophobicContact CB-CB 4.15Å; P473-E476 PolarHBondContact O-N 3.43Å; P473-E476 VanDerWaalsContact O-N 3.12Å; P473-S479 VanDerWaalsContact CD-OG 3.27Å; P473-S479 WeakPolarHBondContact CD-OG 3.48Å; P473-Y503 HydrophobicContact CB-CE1 4.5Å; P473-Y503 HydrophobicContact CG-CD1 4.5Å; P473-Y503 HydrophobicContact CG-CE1 4Å
474	Y	78.1	Confident	77.9	Confident	127 Å²	127	69.9 Å²	69.9	50%	0.498	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	117.6	-174.3	-174.7	-94.6	0	0	0	111.8	R502 D521	Y474-R502 HydrophobicContact CG-CG 4.05Å; Y474-R502 PolarHBondContact N-O 3.38Å; Y474-D521 HydrophobicContact CD2-CB 4.47Å; Y474-D521 WeakPolarHBondContact CD2-OD1 3.3Å; Y474-D521 WeakPolarHBondContact CE2-OD2 3.39Å
475	G	71.7	Confident	78.6	Confident	79 Å²	79	65.6 Å²	65.6	81%	0.814	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-1.6	-176.1	0	0	0	0	0	114.9	P473	P473-G475 PolarHBondContact O-N 2.93Å
476	E	75	Confident	78.9	Confident	107 Å²	107	69.1 Å²	69.1	50%	0.5	37%	0.366	S	S	.	.			trans	-110.3	83.4	178.1	-156.7	178.4	-107.8	0	0	110.1	P473 D478 S479	P473-E476 HydrophobicContact CB-CB 4.15Å; P473-E476 PolarHBondContact O-N 3.43Å; P473-E476 VanDerWaalsContact O-N 3.12Å; E476-D478 VanDerWaalsContact C-N 3.25Å; E476-D478 PolarHBondContact O-N 3.37Å; E476-S479 WeakPolarHBondContact CG-OG 3.33Å; E476-S479 PolarHBondContact O-OG 2.8Å; E476-S479 VanDerWaalsContact OE2-CB 3.26Å; E476-S479 WeakPolarHBondContact OE2-CB 3.33Å; E476-S479 PolarHBondContact OE2-OG 3.44Å
477	D	64.3	Low	78.7	Confident	112 Å²	112	66.2 Å²	66.2	60%	0.599	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.3	-171.5	-104.6	-31.4	0	0	0	114.3	K480	D477-K480 VanDerWaalsContact CG-NZ 3.3Å; D477-K480 WeakPolarHBondContact O-CD 3.48Å; D477-K480 VanDerWaalsContact O-CE 3.32Å; D477-K480 WeakPolarHBondContact O-CE 3.22Å; D477-K480 WeakPolarHBondContact O-CG 3.47Å; D477-K480 PolarHBondContact O-NZ 2.75Å; D477-K480 WeakPolarHBondContact OD1-CE 3.38Å; D477-K480 IonicContact OD1-NZ 2.58Å; D477-K480 PolarHBondContact OD1-NZ 3.25Å
478	D	67.3	Low	78.1	Confident	167 Å²	167	68.4 Å²	68.4	89%	0.893	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-19.4	-176.9	-67	-43	0	0	0	113.6	E476 K480	E476-D478 VanDerWaalsContact C-N 3.25Å; E476-D478 PolarHBondContact O-N 3.37Å; D478-K480 PolarHBondContact O-N 3.06Å
479	S	74.1	Confident	77.7	Confident	42 Å²	42	70.2 Å²	70.2	29%	0.294	38%	0.384	S	S	.	.	S	Bend	trans	-97.5	27.2	-175.4	58.9	0	0	0	0	113.9	P473 E476 R481	P473-S479 VanDerWaalsContact CD-OG 3.27Å; P473-S479 WeakPolarHBondContact CD-OG 3.48Å; E476-S479 WeakPolarHBondContact CG-OG 3.33Å; E476-S479 PolarHBondContact O-OG 2.8Å; E476-S479 VanDerWaalsContact OE2-CB 3.26Å; E476-S479 WeakPolarHBondContact OE2-CB 3.33Å; E476-S479 PolarHBondContact OE2-OG 3.44Å; S479-R481 PolarHBondContact O-N 3.48Å
480	K	78.7	Confident	77	Confident	102 Å²	102	71.3 Å²	71.3	44%	0.443	40%	0.395	S	S	.	.			trans	-63	119.1	-179.5	-73.9	173.3	-178.8	120.3	0	113.2	V470 D477 D478	V470-K480 HydrophobicContact CG1-CB 4.18Å; V470-K480 HydrophobicContact CG1-CD 4.14Å; V470-K480 HydrophobicContact CG1-CG 4.2Å; D477-K480 VanDerWaalsContact CG-NZ 3.3Å; D477-K480 WeakPolarHBondContact O-CD 3.48Å; D477-K480 VanDerWaalsContact O-CE 3.32Å; D477-K480 WeakPolarHBondContact O-CE 3.22Å; D477-K480 WeakPolarHBondContact O-CG 3.47Å; D477-K480 PolarHBondContact O-NZ 2.75Å; D477-K480 WeakPolarHBondContact OD1-CE 3.38Å; D477-K480 IonicContact OD1-NZ 2.58Å; D477-K480 PolarHBondContact OD1-NZ 3.25Å; D478-K480 PolarHBondContact O-N 3.06Å
481	R	81	Confident	76.9	Confident	119 Å²	119	76.6 Å²	76.6	45%	0.449	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.6	167.3	-61.9	-177.8	-175.6	171.5	5.1	109.7	V470 Y471 S479 G496	V470-R481 WeakPolarHBondContact CA-O 3.3Å; Y471-R481 HydrophobicContact CD1-CB 4.15Å; Y471-R481 HydrophobicContact CD2-CB 4.44Å; Y471-R481 HydrophobicContact CE1-CB 3.72Å; Y471-R481 HydrophobicContact CE2-CB 4.04Å; Y471-R481 HydrophobicContact CE2-CG 4.37Å; Y471-R481 HydrophobicContact CG-CB 4.49Å; Y471-R481 PolarHBondContact N-O 3.35Å; Y471-R481 PolarHBondContact O-N 3.46Å; Y471-R481 VanDerWaalsContact OH-CD 3.28Å; Y471-R481 WeakPolarHBondContact OH-CD 3.34Å; S479-R481 PolarHBondContact O-N 3.48Å; R481-G496 PolarHBondContact NH1-O 2.85Å
482	T	83	Confident	76.8	Confident	98 Å²	98	76.1 Å²	76.1	60%	0.601	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.7	179.9	61.4	0	0	0	0	111.5	T468 V469 V470	T468-T482 HydrophobicContact CG2-CG2 4.45Å; V469-T482 CarbonylContact O-C 3.58Å; V469-T482 VanDerWaalsContact O-CA 3.32Å; V469-T482 WeakPolarHBondContact O-CA 3.22Å; V470-T482 HydrophobicContact CB-CG2 4.48Å; V470-T482 HydrophobicContact CG1-CG2 4.18Å; V470-T482 HydrophobicContact CG2-CG2 4.04Å
483	M	78.7	Confident	76.7	Confident	82 Å²	82	79.2 Å²	79.2	40%	0.404	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.2	179.2	-176.1	176.3	-179.1	0	0	109.5	T468 V469 V492	T468-M483 WeakPolarHBondContact CA-O 3.29Å; V469-M483 PolarHBondContact N-O 3.28Å; V469-M483 PolarHBondContact O-N 3.41Å; M483-V492 HydrophobicContact CE-CG2 3.51Å; M483-V492 HydrophobicContact SD-CG2 3.59Å; M483-V492 VanDerWaalsContact SD-CG2 3.59Å
484	E	81.5	Confident	76.7	Confident	118 Å²	118	78.2 Å²	78.2	55%	0.551	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.6	176.4	-58.6	-146.3	140.3	0	0	111.7	L467 T468 K510	L467-E484 WeakPolarHBondContact O-CA 3.39Å; T468-E484 PolarHBondContact OG1-OE1 2.89Å; E484-K510 WeakPolarHBondContact OE1-CE 3.26Å; E484-K510 IonicContact OE1-NZ 2.85Å; E484-K510 PolarHBondContact OE1-NZ 2.83Å; E484-K510 IonicContact OE2-NZ 2.63Å
485	T	78.8	Confident	76.7	Confident	23 Å²	23	76.7 Å²	76.7	14%	0.141	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-179.1	178.8	-166.6	0	0	0	0	109.7	W456 L467 V469 S489	W456-T485 HydrophobicContact CH2-CG2 3.68Å; W456-T485 HydrophobicContact CZ2-CG2 3.85Å; L467-T485 HydrophobicContact CB-CG2 3.79Å; L467-T485 PolarHBondContact N-O 3.41Å; L467-T485 PolarHBondContact O-N 3.44Å; L467-T485 VanDerWaalsContact O-O 3.1Å; V469-T485 HydrophobicContact CG2-CG2 3.96Å; T485-S489 PolarHBondContact OG1-OG 3.1Å
486	K	79.4	Confident	77	Confident	101 Å²	101	75.1 Å²	75.1	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.4	-177.1	-69.7	-175.4	164.4	-163.4	0	111.1	D464 A465 G488 S489	D464-K486 WeakPolarHBondContact OD1-CD 3.45Å; D464-K486 WeakPolarHBondContact OD1-CE 3.26Å; D464-K486 IonicContact OD1-NZ 3.92Å; D464-K486 PolarHBondContact OD1-NZ 2.75Å; D464-K486 IonicContact OD2-NZ 2.69Å; D464-K486 PolarHBondContact OD2-NZ 2.8Å; D464-K486 VanDerWaalsContact OD2-NZ 3.11Å; A465-K486 WeakPolarHBondContact O-CA 3.29Å; K486-G488 PolarHBondContact O-N 3.24Å; K486-G488 VanDerWaalsContact O-N 3.07Å; K486-S489 PolarHBondContact O-N 3.44Å; K486-S489 PolarHBondContact O-OG 2.85Å
487	A	71.5	Confident	77.4	Confident	2 Å²	2	70.5 Å²	70.5	2%	0.017	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.7	-178.3	0	0	0	0	0	114	W456 A458 L461 A465 L467	W456-A487 PolarHBondContact NE1-O 3.45Å; A458-A487 HydrophobicContact CB-CB 4.19Å; L461-A487 HydrophobicContact CB-CB 4.25Å; A465-A487 HydrophobicContact CB-CB 4.14Å; A465-A487 PolarHBondContact O-N 2.88Å; L467-A487 HydrophobicContact CD1-CB 4.23Å
488	G	65.4	Low	78.2	Confident	48 Å²	48	68.1 Å²	68.1	50%	0.495	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.5	179.8	0	0	0	0	0	116.8	N463 K486	N463-G488 PolarHBondContact O-N 2.86Å; K486-G488 PolarHBondContact O-N 3.24Å; K486-G488 VanDerWaalsContact O-N 3.07Å
489	S	73.6	Confident	78.8	Confident	56 Å²	56	63.6 Å²	63.6	39%	0.392	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-31.6	175	63.9	0	0	0	0	112.6	W456 T485 K486 K491	W456-S489 WeakPolarHBondContact CH2-OG 3.45Å; W456-S489 VanDerWaalsContact CZ2-OG 3.24Å; W456-S489 WeakPolarHBondContact CZ2-OG 3.45Å; T485-S489 PolarHBondContact OG1-OG 3.1Å; K486-S489 PolarHBondContact O-N 3.44Å; K486-S489 PolarHBondContact O-OG 2.85Å; S489-K491 PolarHBondContact O-N 3.06Å
490	G	71.8	Confident	79.1	Confident	23 Å²	23	62.3 Å²	62.3	24%	0.237	35%	0.352	C	S	.	.			trans	66	-5.9	174.1	0	0	0	0	0	116.2	L455 W456	L455-G490 WeakPolarHBondContact CA-O 3.44Å; W456-G490 PolarHBondContact N-O 3.44Å
491	K	81.9	Confident	79.2	Confident	141 Å²	141	61.6 Å²	61.6	61%	0.613	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.4	178.5	68.9	179.2	-177.2	172.4	0	113	L454 L455 W456 S489	L454-K491 CarbonylContact O-C 3.52Å; L454-K491 WeakPolarHBondContact O-CA 3.47Å; L455-K491 HydrophobicContact CD1-CB 4.2Å; L455-K491 HydrophobicContact CG-CB 3.95Å; W456-K491 VanDerWaalsContact CZ3-C 3.45Å; S489-K491 PolarHBondContact O-N 3.06Å
492	V	85.5	Confident	79.3	Confident	15 Å²	15	61 Å²	61	9%	0.091	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.4	168.3	76.9	0	0	0	0	111	L454 W456 V469 M483 L494	L454-V492 HydrophobicContact CB-CG1 4Å; L454-V492 HydrophobicContact CD2-CG1 4.1Å; L454-V492 PolarHBondContact N-O 2.88Å; L454-V492 PolarHBondContact O-N 2.79Å; W456-V492 HydrophobicContact CH2-CB 4.32Å; W456-V492 HydrophobicContact CZ3-CB 4.11Å; W456-V492 HydrophobicContact CZ3-CG1 4.07Å; V469-V492 HydrophobicContact CG2-CG1 4.21Å; M483-V492 HydrophobicContact CE-CG2 3.51Å; M483-V492 HydrophobicContact SD-CG2 3.59Å; M483-V492 VanDerWaalsContact SD-CG2 3.59Å; V492-L494 HydrophobicContact CG1-CD2 4.25Å
493	L	84.9	Confident	79.5	Confident	77 Å²	77	56.9 Å²	56.9	40%	0.403	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.6	171.7	175.4	65.4	0	0	0	109	V453 D495	V453-L493 HydrophobicContact CG2-CD1 3.78Å; L493-D495 WeakPolarHBondContact CD2-OD1 3.36Å; L493-D495 WeakPolarHBondContact CD2-OD2 3.48Å; L493-D495 WeakPolarHBondContact CG-OD1 3.41Å
494	L	84	Confident	79.7	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	97.9	175.5	-57.2	179.8	0	0	0	108.9	S451 A452 V469 Y471 V492 V505 F522	S451-L494 CarbonylContact C-O 3.52Å; S451-L494 WeakPolarHBondContact CA-O 3.4Å; S451-L494 VanDerWaalsContact CB-O 3.24Å; S451-L494 WeakPolarHBondContact CB-O 3.39Å; A452-L494 PolarHBondContact N-O 3.25Å; A452-L494 PolarHBondContact O-N 3.29Å; V469-L494 HydrophobicContact CG1-CD2 4.22Å; Y471-L494 HydrophobicContact CD1-CD2 3.93Å; Y471-L494 HydrophobicContact CE1-CD2 3.92Å; Y471-L494 HydrophobicContact CG-CD1 4.48Å; V492-L494 HydrophobicContact CG1-CD2 4.25Å; L494-V505 HydrophobicContact CD1-CG2 4.24Å; L494-F522 HydrophobicContact CD1-CE1 4.45Å; L494-F522 HydrophobicContact CD1-CZ 4.33Å
495	D	79.4	Confident	80	Confident	95 Å²	95	48.6 Å²	48.6	51%	0.508	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	154.2	178.5	-69.1	-38.6	0	0	0	112.8	S451 L493	S451-D495 WeakPolarHBondContact CB-OD1 3.32Å; L493-D495 WeakPolarHBondContact CD2-OD1 3.36Å; L493-D495 WeakPolarHBondContact CD2-OD2 3.48Å; L493-D495 WeakPolarHBondContact CG-OD1 3.41Å
496	G	76.9	Confident	80.2	Confident	46 Å²	46	49 Å²	49	47%	0.474	29%	0.289	S	S	.	.	S	Bend	trans	80.2	35.7	174.3	0	0	0	0	0	113.4	D450 R481	D450-G496 PolarHBondContact O-N 3.33Å; D450-G496 VanDerWaalsContact O-N 3.1Å; R481-G496 PolarHBondContact NH1-O 2.85Å
497	L	83.5	Confident	80.3	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.058	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-79.4	163.5	166.1	-51.7	179	0	0	0	110	D450 A452 Y471 Y503 F522 T524	D450-L497 PolarHBondContact O-N 3.47Å; A452-L497 HydrophobicContact CB-CD1 4.01Å; Y471-L497 HydrophobicContact CD2-CD2 4.1Å; Y471-L497 HydrophobicContact CE2-CD2 3.75Å; L497-Y503 HydrophobicContact CB-CE2 3.92Å; L497-Y503 HydrophobicContact CD2-CD1 4.14Å; L497-Y503 HydrophobicContact CD2-CD2 4.35Å; L497-Y503 HydrophobicContact CD2-CE1 4Å; L497-Y503 HydrophobicContact CD2-CE2 4.2Å; L497-Y503 HydrophobicContact CD2-CG 4.34Å; L497-F522 HydrophobicContact CD1-CE2 3.64Å; L497-F522 HydrophobicContact CD1-CZ 3.71Å; L497-T524 HydrophobicContact CB-CG2 3.83Å; L497-T524 HydrophobicContact CD1-CG2 3.78Å; L497-T524 HydrophobicContact CG-CG2 4.47Å
498	S	80.4	Confident	80.6	Confident	61 Å²	61	46.5 Å²	46.5	43%	0.427	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-99.4	142	173.3	-61.6	0	0	0	0	110.3	A449 Y503 T524	A449-S498 CarbonylContact O-C 3.55Å; S498-Y503 PolarHBondContact N-OH 3.3Å; S498-T524 WeakPolarHBondContact O-CB 3.48Å; S498-T524 PolarHBondContact O-OG1 3.18Å
499	P	81.8	Confident	80.9	Confident	72 Å²	72	45.5 Å²	45.5	47%	0.468	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	150	178.4	25.8	-34.2	0	0	0	112.9	A449 M501 E525	A449-P499 HydrophobicContact CB-CB 4.12Å; A449-P499 WeakPolarHBondContact O-CA 3.37Å; A449-P499 WeakPolarHBondContact O-CB 3.46Å; A449-P499 WeakPolarHBondContact O-CD 3.47Å; A449-P499 VanDerWaalsContact O-N 3.1Å; P499-M501 VanDerWaalsContact C-N 3.29Å; P499-M501 PolarHBondContact O-N 3.34Å; P499-E525 VanDerWaalsContact CB-O 3.23Å; P499-E525 WeakPolarHBondContact CB-O 3.11Å
500	G	79.7	Confident	80.3	Confident	16 Å²	16	49.3 Å²	49.3	17%	0.165	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	22.6	177.5	0	0	0	0	0	114.7	Y523 T524 E525 D526	G500-Y523 VanDerWaalsContact C-CE2 3.49Å; G500-Y523 WeakPolarHBondContact CA-OH 3.13Å; G500-Y523 VanDerWaalsContact O-CE2 3.27Å; G500-Y523 WeakPolarHBondContact O-CE2 3.44Å; G500-Y523 VanDerWaalsContact O-CZ 3.24Å; G500-Y523 PolarHBondContact O-OH 3.41Å; G500-T524 WeakPolarHBondContact CA-O 3.46Å; G500-T524 PolarHBondContact N-O 2.81Å; G500-T524 PolarHBondContact N-OG1 3.46Å; G500-E525 PolarHBondContact N-O 2.84Å; G500-D526 WeakPolarHBondContact CA-OD1 3.2Å
501	M	79.9	Confident	79.6	Confident	86 Å²	86	52 Å²	52	42%	0.424	31%	0.305	S	S	.	.			trans	-122.1	140.2	-172.3	-70.3	-67	-75.2	0	0	112.2	P499 Y503 T524	P499-M501 VanDerWaalsContact C-N 3.29Å; P499-M501 PolarHBondContact O-N 3.34Å; M501-Y503 HydrophobicContact CB-CD2 4.42Å; M501-Y503 HydrophobicContact CB-CE2 3.77Å; M501-T524 PolarHBondContact N-OG1 2.97Å; M501-T524 PolarHBondContact O-N 3.45Å; M501-T524 VanDerWaalsContact O-N 3.12Å; M501-T524 PolarHBondContact O-OG1 3.39Å
502	R	83.8	Confident	78	Confident	108 Å²	108	47.8 Å²	47.8	41%	0.408	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.8	173.9	-168.8	-177.9	170.7	161.5	-5.2	110.2	Y474 D521 F522 Y523	Y474-R502 HydrophobicContact CG-CG 4.05Å; Y474-R502 PolarHBondContact N-O 3.38Å; R502-D521 IonicContact CZ-OD2 3.77Å; R502-D521 IonicContact NE-OD2 3.11Å; R502-D521 IonicContact NH2-OD2 3.26Å; R502-D521 PolarHBondContact NH2-OD2 3.32Å; R502-F522 CarbonylContact C-O 3.55Å; R502-F522 VanDerWaalsContact CA-O 3.3Å; R502-F522 WeakPolarHBondContact CA-O 3.43Å; R502-F522 WeakPolarHBondContact CG-O 3.23Å; R502-Y523 HydrophobicContact CB-CD2 4Å
503	Y	86.3	Confident	76.1	Confident	10 Å²	10	54 Å²	54	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.4	174.5	-72.8	-89.1	0	0	0	110.7	S472 P473 L497 S498 M501 D521 F522 T524	S472-Y503 WeakPolarHBondContact O-CA 3.46Å; S472-Y503 WeakPolarHBondContact O-CD1 3.42Å; P473-Y503 HydrophobicContact CB-CE1 4.5Å; P473-Y503 HydrophobicContact CG-CD1 4.5Å; P473-Y503 HydrophobicContact CG-CE1 4Å; L497-Y503 HydrophobicContact CB-CE2 3.92Å; L497-Y503 HydrophobicContact CD2-CD1 4.14Å; L497-Y503 HydrophobicContact CD2-CD2 4.35Å; L497-Y503 HydrophobicContact CD2-CE1 4Å; L497-Y503 HydrophobicContact CD2-CE2 4.2Å; L497-Y503 HydrophobicContact CD2-CG 4.34Å; S498-Y503 PolarHBondContact N-OH 3.3Å; M501-Y503 HydrophobicContact CB-CD2 4.42Å; M501-Y503 HydrophobicContact CB-CE2 3.77Å; Y503-D521 CarbonylContact O-C 3.59Å; Y503-D521 VanDerWaalsContact O-CA 3.27Å; Y503-D521 WeakPolarHBondContact O-CA 3.27Å; Y503-F522 HydrophobicContact CD2-CZ 4.48Å; Y503-F522 HydrophobicContact CG-CZ 4.26Å; Y503-F522 PolarHBondContact N-O 3.37Å; Y503-F522 PolarHBondContact O-N 3.37Å; Y503-T524 HydrophobicContact CD2-CG2 4.26Å; Y503-T524 HydrophobicContact CE2-CG2 4.19Å
504	S	84.6	Confident	74.3	Confident	27 Å²	27	55.4 Å²	55.4	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.7	167.4	-158	0	0	0	0	108.9	Y471 S472 D521	Y471-S504 WeakPolarHBondContact CA-O 3.36Å; Y471-S504 WeakPolarHBondContact CB-O 3.4Å; S472-S504 PolarHBondContact N-O 3.26Å; S472-S504 PolarHBondContact O-N 2.97Å; S504-D521 WeakPolarHBondContact CB-OD1 3.15Å; S504-D521 PolarHBondContact OG-OD1 3.32Å
505	V	87	Confident	72.7	Confident	0 Å²	0	59 Å²	59	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.5	178	59.3	0	0	0	0	111.9	I444 L454 V469 V470 L494 C519 I520 F522	I444-V505 HydrophobicContact CD1-CG1 4.09Å; L454-V505 HydrophobicContact CD1-CG1 3.84Å; L454-V505 HydrophobicContact CD2-CG1 4.43Å; L454-V505 HydrophobicContact CD2-CG2 3.77Å; V469-V505 HydrophobicContact CG1-CG2 3.51Å; V470-V505 CarbonylContact O-C 3.56Å; V470-V505 WeakPolarHBondContact O-CA 3.36Å; L494-V505 HydrophobicContact CD1-CG2 4.24Å; V505-C519 CarbonylContact O-C 3.56Å; V505-C519 WeakPolarHBondContact O-CA 3.24Å; V505-I520 HydrophobicContact CG1-CG2 3.65Å; V505-I520 PolarHBondContact N-O 2.75Å; V505-I520 PolarHBondContact O-N 3.27Å; V505-F522 HydrophobicContact CB-CE1 4.47Å; V505-F522 HydrophobicContact CG1-CD1 4.2Å; V505-F522 HydrophobicContact CG1-CE1 4.02Å
506	C	82.8	Confident	71.5	Confident	30 Å²	30	63.9 Å²	63.9	20%	0.203	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149	-178.3	-59.1	0	0	0	0	111.6	V469 V470 P518 C519	V469-C506 WeakPolarHBondContact CA-O 3.39Å; V470-C506 PolarHBondContact N-O 3.13Å; V470-C506 PolarHBondContact O-N 3.5Å; C506-P518 WeakPolarHBondContact CA-O 3.47Å; C506-C519 HydrophobicContact CB-CB 4.07Å; C506-C519 WeakPolarHBondContact CB-SG 3.43Å; C506-C519 WeakPolarHBondContact SG-CB 3.22Å; C506-C519 CovalentContact SG-SG 2.04Å; C506-C519 PolarHBondContact SG-SG 2.76Å
507	L	81.8	Confident	71.1	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	104.5	176.5	-98.8	159.3	0	0	0	111.6	L439 L442 L454 W456 L467 V469 P518	L439-L507 HydrophobicContact CD2-CB 3.69Å; L439-L507 HydrophobicContact CD2-CD1 3.89Å; L439-L507 HydrophobicContact CD2-CD2 4.47Å; L439-L507 HydrophobicContact CD2-CG 4.24Å; L442-L507 HydrophobicContact CD1-CD1 3.52Å; L442-L507 HydrophobicContact CD2-CD1 4.24Å; L442-L507 HydrophobicContact CG-CD1 4.44Å; L454-L507 HydrophobicContact CD2-CD1 4.32Å; W456-L507 HydrophobicContact CB-CD1 3.87Å; W456-L507 HydrophobicContact CD2-CD1 3.78Å; W456-L507 HydrophobicContact CD2-CD2 4.5Å; W456-L507 HydrophobicContact CE3-CD1 3.73Å; W456-L507 HydrophobicContact CG-CD1 3.85Å; L467-L507 HydrophobicContact CB-CD2 4.12Å; L467-L507 HydrophobicContact CD1-CD2 4.08Å; L467-L507 HydrophobicContact CD2-CD2 4.47Å; L467-L507 HydrophobicContact CG-CD2 4.47Å; V469-L507 HydrophobicContact CG2-CD2 3.52Å; V469-L507 HydrophobicContact CG2-CG 4.07Å; L507-P518 HydrophobicContact CB-CG 4.38Å; L507-P518 PolarHBondContact N-O 3.39Å; L507-P518 VanDerWaalsContact N-O 3.07Å
508	V	77.8	Confident	70.5	Confident	49 Å²	49	65.9 Å²	65.9	30%	0.297	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.5	-175.3	-176.3	0	0	0	0	110.7	T468 V470 D517	T468-V508 PolarHBondContact N-O 2.86Å; T468-V508 PolarHBondContact O-N 3.34Å; V470-V508 HydrophobicContact CG2-CG2 4.09Å; V508-D517 HydrophobicContact CG2-CB 4.47Å
509	A	71.5	Confident	70.5	Confident	27 Å²	27	66.4 Å²	66.4	22%	0.223	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.2	175.8	0	0	0	0	0	111.9	L467 G511 S512	L467-A509 HydrophobicContact CD2-CB 3.82Å; A509-G511 PolarHBondContact O-N 3.35Å; A509-S512 PolarHBondContact O-N 3.14Å
510	K	62.1	Low	70.6	Confident	137 Å²	137	65.6 Å²	65.6	60%	0.596	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	97.2	177.4	-84.2	177.5	172	172.1	0	110.9	P466 E484	P466-K510 HydrophobicContact CG-CB 4.39Å; E484-K510 WeakPolarHBondContact OE1-CE 3.26Å; E484-K510 IonicContact OE1-NZ 2.85Å; E484-K510 PolarHBondContact OE1-NZ 2.83Å; E484-K510 IonicContact OE2-NZ 2.63Å
511	G	56.9	Low	70.8	Confident	78 Å²	78	67.7 Å²	67.7	80%	0.804	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.2	-9.7	-177.3	0	0	0	0	0	114.8	A509	A509-G511 PolarHBondContact O-N 3.35Å
512	S	47.5	Very low	71	Confident	53 Å²	53	64.2 Å²	64.2	37%	0.371	39%	0.385	S	S	.	.			trans	-75.5	124.1	171.2	-175.2	0	0	0	0	110.9	A509 T514	A509-S512 PolarHBondContact O-N 3.14Å; S512-T514 PolarHBondContact OG-N 3.35Å; S512-T514 PolarHBondContact OG-O 3.4Å; S512-T514 PolarHBondContact OG-OG1 3.29Å
513	T	45.5	Very low	70.9	Confident	145 Å²	145	64.5 Å²	64.5	89%	0.89	39%	0.387	S	S	*	.			trans	-106.7	8.2	168.1	51.7	0	0	0	0	112.5
514	T	47.3	Very low	70.7	Confident	108 Å²	108	64 Å²	64	66%	0.663	39%	0.385	S	S	*	.	S	Bend	trans	-103.8	102.3	175.5	47.8	0	0	0	0	109.5	S512 K516	S512-T514 PolarHBondContact OG-N 3.35Å; S512-T514 PolarHBondContact OG-O 3.4Å; S512-T514 PolarHBondContact OG-OG1 3.29Å; T514-K516 VanDerWaalsContact C-N 3.27Å; T514-K516 PolarHBondContact O-N 2.96Å
515	G	50.2	Low	70.2	Confident	78 Å²	78	68.9 Å²	68.9	80%	0.804	40%	0.404	S	S	*	.	S	Bend	trans	-68.6	72.1	-174.6	0	0	0	0	0	114.8
516	K	54.8	Low	69.2	Low	198 Å²	198	74.6 Å²	74.6	86%	0.861	44%	0.435	S	S	*	.			trans	-147.2	54.8	169	-71.3	-164.3	174.8	-172.6	0	110	T514	T514-K516 VanDerWaalsContact C-N 3.27Å; T514-K516 PolarHBondContact O-N 2.96Å
517	D	68	Low	67.9	Low	56 Å²	56	76 Å²	76	30%	0.299	46%	0.455	S	S	.	.			trans	-67.3	139.1	166.9	-63.7	-48.3	0	0	0	109.1	V508	V508-D517 HydrophobicContact CG2-CB 4.47Å
518	P	72	Confident	66.8	Low	42 Å²	42	79.3 Å²	79.3	27%	0.273	49%	0.489	S	S	.	.			trans	-73	131.6	-179.3	28.9	-33.4	0	0	0	110.8	L439 L442 C506 L507	L439-P518 HydrophobicContact CB-CG 4.36Å; L439-P518 HydrophobicContact CD2-CG 4.03Å; L442-P518 HydrophobicContact CB-CB 4.42Å; L442-P518 HydrophobicContact CD2-CB 4.19Å; L442-P518 HydrophobicContact CD2-CG 4.45Å; C506-P518 WeakPolarHBondContact CA-O 3.47Å; L507-P518 HydrophobicContact CB-CG 4.38Å; L507-P518 PolarHBondContact N-O 3.39Å; L507-P518 VanDerWaalsContact N-O 3.07Å
519	C	79.6	Confident	65.7	Low	73 Å²	73	84 Å²	84	49%	0.493	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.8	174.3	-55.2	0	0	0	0	110.4	V505 C506	V505-C519 CarbonylContact O-C 3.56Å; V505-C519 WeakPolarHBondContact O-CA 3.24Å; C506-C519 HydrophobicContact CB-CB 4.07Å; C506-C519 WeakPolarHBondContact CB-SG 3.43Å; C506-C519 WeakPolarHBondContact SG-CB 3.22Å; C506-C519 CovalentContact SG-SG 2.04Å; C506-C519 PolarHBondContact SG-SG 2.76Å
520	I	82.8	Confident	64.9	Low	54 Å²	54	89.3 Å²	89.3	28%	0.277	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.8	176.9	-171.5	168.5	0	0	0	110.1	L442 I444 L454 V505	L442-I520 HydrophobicContact CD2-CG2 3.93Å; L442-I520 HydrophobicContact CG-CG2 3.98Å; I444-I520 HydrophobicContact CD1-CG2 3.8Å; I444-I520 HydrophobicContact CG1-CG2 4.29Å; L454-I520 HydrophobicContact CD1-CG2 4.27Å; V505-I520 HydrophobicContact CG1-CG2 3.65Å; V505-I520 PolarHBondContact N-O 2.75Å; V505-I520 PolarHBondContact O-N 3.27Å
521	D	84.3	Confident	64.6	Low	60 Å²	60	89.8 Å²	89.8	32%	0.321	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.8	175.2	-57.2	-36.3	0	0	0	111.1	Y474 R502 Y503 S504	Y474-D521 HydrophobicContact CD2-CB 4.47Å; Y474-D521 WeakPolarHBondContact CD2-OD1 3.3Å; Y474-D521 WeakPolarHBondContact CE2-OD2 3.39Å; R502-D521 IonicContact CZ-OD2 3.77Å; R502-D521 IonicContact NE-OD2 3.11Å; R502-D521 IonicContact NH2-OD2 3.26Å; R502-D521 PolarHBondContact NH2-OD2 3.32Å; Y503-D521 CarbonylContact O-C 3.59Å; Y503-D521 VanDerWaalsContact O-CA 3.27Å; Y503-D521 WeakPolarHBondContact O-CA 3.27Å; S504-D521 WeakPolarHBondContact CB-OD1 3.15Å; S504-D521 PolarHBondContact OG-OD1 3.32Å
522	F	84	Confident	64.3	Low	13 Å²	13	91.2 Å²	91.2	6%	0.057	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	175.2	179.1	73.7	-83.4	0	0	0	112.1	I444 Q447 A452 L494 L497 R502 Y503 V505 T524	I444-F522 HydrophobicContact CD1-CB 3.64Å; I444-F522 HydrophobicContact CD1-CD1 3.36Å; I444-F522 HydrophobicContact CD1-CD2 4.47Å; I444-F522 HydrophobicContact CD1-CE1 4.07Å; I444-F522 HydrophobicContact CD1-CG 3.59Å; Q447-F522 HydrophobicContact CG-CD2 4.23Å; A452-F522 HydrophobicContact CB-CD2 4.15Å; A452-F522 HydrophobicContact CB-CE2 3.47Å; A452-F522 VanDerWaalsContact CB-CE2 3.47Å; A452-F522 HydrophobicContact CB-CZ 3.9Å; L494-F522 HydrophobicContact CD1-CE1 4.45Å; L494-F522 HydrophobicContact CD1-CZ 4.33Å; L497-F522 HydrophobicContact CD1-CE2 3.64Å; L497-F522 HydrophobicContact CD1-CZ 3.71Å; R502-F522 CarbonylContact C-O 3.55Å; R502-F522 VanDerWaalsContact CA-O 3.3Å; R502-F522 WeakPolarHBondContact CA-O 3.43Å; R502-F522 WeakPolarHBondContact CG-O 3.23Å; Y503-F522 HydrophobicContact CD2-CZ 4.48Å; Y503-F522 HydrophobicContact CG-CZ 4.26Å; Y503-F522 PolarHBondContact N-O 3.37Å; Y503-F522 PolarHBondContact O-N 3.37Å; V505-F522 HydrophobicContact CB-CE1 4.47Å; V505-F522 HydrophobicContact CG1-CD1 4.2Å; V505-F522 HydrophobicContact CG1-CE1 4.02Å; F522-T524 HydrophobicContact CE2-CG2 4.41Å
523	Y	82.8	Confident	64.3	Low	115 Å²	115	95.3 Å²	95.3	45%	0.451	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.9	-172.3	-171.3	-97.7	0	0	0	111.3	Q447 G500 R502	Q447-Y523 PolarHBondContact OE1-O 3.47Å; G500-Y523 VanDerWaalsContact C-CE2 3.49Å; G500-Y523 WeakPolarHBondContact CA-OH 3.13Å; G500-Y523 VanDerWaalsContact O-CE2 3.27Å; G500-Y523 WeakPolarHBondContact O-CE2 3.44Å; G500-Y523 VanDerWaalsContact O-CZ 3.24Å; G500-Y523 PolarHBondContact O-OH 3.41Å; R502-Y523 HydrophobicContact CB-CD2 4Å
524	T	81.1	Confident	64.4	Low	0 Å²	0	96 Å²	96	0%	0	53%	0.531	C	S	.	.			trans	-77.5	147.8	178.8	48	0	0	0	0	112.1	T448 L497 S498 G500 M501 Y503 F522	T448-T524 WeakPolarHBondContact O-CA 3.49Å; T448-T524 WeakPolarHBondContact O-CB 3.45Å; L497-T524 HydrophobicContact CB-CG2 3.83Å; L497-T524 HydrophobicContact CD1-CG2 3.78Å; L497-T524 HydrophobicContact CG-CG2 4.47Å; S498-T524 WeakPolarHBondContact O-CB 3.48Å; S498-T524 PolarHBondContact O-OG1 3.18Å; G500-T524 WeakPolarHBondContact CA-O 3.46Å; G500-T524 PolarHBondContact N-O 2.81Å; G500-T524 PolarHBondContact N-OG1 3.46Å; M501-T524 PolarHBondContact N-OG1 2.97Å; M501-T524 PolarHBondContact O-N 3.45Å; M501-T524 VanDerWaalsContact O-N 3.12Å; M501-T524 PolarHBondContact O-OG1 3.39Å; Y503-T524 HydrophobicContact CD2-CG2 4.26Å; Y503-T524 HydrophobicContact CE2-CG2 4.19Å; F522-T524 HydrophobicContact CE2-CG2 4.41Å
525	E	75.3	Confident	64.8	Low	128 Å²	128	95.8 Å²	95.8	60%	0.598	53%	0.525	S	S	*	.			trans	-69.4	147.8	-176.8	-64.8	-161.1	130.7	0	0	113.4	T448 A449 P499 G500 G527	T448-E525 PolarHBondContact O-N 2.91Å; A449-E525 WeakPolarHBondContact CA-O 3.37Å; P499-E525 VanDerWaalsContact CB-O 3.23Å; P499-E525 WeakPolarHBondContact CB-O 3.11Å; G500-E525 PolarHBondContact N-O 2.84Å; E525-G527 PolarHBondContact O-N 3.07Å; E525-G527 VanDerWaalsContact O-N 3.1Å
526	D	65.8	Low	65.1	Low	121 Å²	121	95.9 Å²	95.9	65%	0.647	51%	0.51	S	S	*	.			trans	-71.4	99.6	175.7	-77.8	-24.7	0	0	0	110.9	G500 G528	G500-D526 WeakPolarHBondContact CA-OD1 3.2Å; D526-G528 PolarHBondContact O-N 3.08Å
527	G	54.5	Low	65.2	Low	60 Å²	60	90 Å²	90	62%	0.619	49%	0.493	S	S	*	.			trans	-67.2	32.2	-179.2	0	0	0	0	0	116.9	E525	E525-G527 PolarHBondContact O-N 3.07Å; E525-G527 VanDerWaalsContact O-N 3.1Å
528	G	58.2	Low	64.6	Low	71 Å²	71	90.8 Å²	90.8	73%	0.732	50%	0.503	S	S	*	.			trans	-119.6	55.1	-164	0	0	0	0	0	116.7	D526	D526-G528 PolarHBondContact O-N 3.08Å
529	Q	55.3	Low	64.1	Low	146 Å²	146	93.5 Å²	93.5	68%	0.682	51%	0.514	S	S	*	.			trans	-117.7	1.7	-178.2	-110.3	-174.1	51.1	0	0	118.2	I531	Q529-I531 VanDerWaalsContact C-N 3.32Å; Q529-I531 PolarHBondContact O-N 2.95Å
530	N	54.5	Low	63	Low	139 Å²	139	92 Å²	92	74%	0.743	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.4	-171.8	-76.8	-26.9	0	0	0	117
531	I	55.4	Low	61.8	Low	147 Å²	147	92.8 Å²	92.8	75%	0.754	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-27.7	-177.6	-62.4	177.1	0	0	0	112.7	Q529	Q529-I531 VanDerWaalsContact C-N 3.32Å; Q529-I531 PolarHBondContact O-N 2.95Å
532	L	52.3	Low	60.9	Low	108 Å²	108	96.1 Å²	96.1	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-74	-33.8	-174.4	-158.8	74.7	0	0	0	113	F534 I535 V536	L532-F534 PolarHBondContact O-N 3.15Å; L532-I535 PolarHBondContact O-N 2.85Å; L532-V536 PolarHBondContact O-N 3.1Å
533	F	47.6	Very low	60.1	Low	139 Å²	139	100.8 Å²	100.8	61%	0.61	56%	0.559	S	S	*	*	H	α-helix	trans	-63.7	-39.3	-173.1	-88.4	-86.6	0	0	0	114.2	I535 V536 S537	F533-I535 VanDerWaalsContact C-N 3.31Å; F533-I535 PolarHBondContact O-N 3.36Å; F533-V536 PolarHBondContact O-N 3.01Å; F533-S537 WeakPolarHBondContact O-CB 3.41Å; F533-S537 PolarHBondContact O-N 2.91Å
534	F	47.2	Very low	59.6	Low	159 Å²	159	98.8 Å²	98.8	70%	0.697	56%	0.558	S	S	*	*	H	α-helix	trans	-62.2	-38.1	-179	-73.5	-78.8	0	0	0	112.6	L532 S538	L532-F534 PolarHBondContact O-N 3.15Å; F534-S538 PolarHBondContact O-N 2.89Å; F534-S538 PolarHBondContact O-OG 3.1Å
535	I	54.7	Low	58.9	Low	105 Å²	105	103.8 Å²	103.8	54%	0.538	58%	0.584	S	S	.	*	H	α-helix	trans	-71.4	-42	179.6	-57	178.3	0	0	0	110.6	L532 F533 I539	L532-I535 PolarHBondContact O-N 2.85Å; F533-I535 VanDerWaalsContact C-N 3.31Å; F533-I535 PolarHBondContact O-N 3.36Å; I535-I539 HydrophobicContact CG2-CD1 4.26Å; I535-I539 WeakPolarHBondContact O-CG1 3.24Å; I535-I539 PolarHBondContact O-N 2.73Å
536	V	56.5	Low	58.9	Low	80 Å²	80	101 Å²	101	49%	0.485	58%	0.577	S	S	.	*	H	α-helix	trans	-67.2	-43.7	179.3	177.9	0	0	0	0	111.6	L532 F533 S538 I539 A540	L532-V536 PolarHBondContact O-N 3.1Å; F533-V536 PolarHBondContact O-N 3.01Å; V536-S538 VanDerWaalsContact C-N 3.32Å; V536-S538 PolarHBondContact O-N 3.23Å; V536-I539 PolarHBondContact O-N 3.4Å; V536-A540 WeakPolarHBondContact O-CB 3.22Å; V536-A540 PolarHBondContact O-N 3.43Å
537	S	57.9	Low	59.1	Low	73 Å²	73	100.3 Å²	100.3	51%	0.51	57%	0.573	S	S	.	*	H	α-helix	trans	-57.9	-43.4	177.3	-175	0	0	0	0	112.3	F533 I539 A540 C541	F533-S537 WeakPolarHBondContact O-CB 3.41Å; F533-S537 PolarHBondContact O-N 2.91Å; S537-I539 PolarHBondContact O-N 2.76Å; S537-A540 PolarHBondContact O-N 2.95Å; S537-C541 PolarHBondContact O-N 3.4Å; S537-C541 VanDerWaalsContact O-N 3.13Å
538	S	55.8	Low	60.1	Low	74 Å²	74	101.1 Å²	101.1	52%	0.517	56%	0.562	S	S	.	*	H	α-helix	trans	-62.9	-39.6	-179.6	-56.9	0	0	0	0	112.7	F534 V536	F534-S538 PolarHBondContact O-N 2.89Å; F534-S538 PolarHBondContact O-OG 3.1Å; V536-S538 VanDerWaalsContact C-N 3.32Å; V536-S538 PolarHBondContact O-N 3.23Å
539	I	60.5	Low	60.8	Low	98 Å²	98	100.5 Å²	100.5	50%	0.503	55%	0.55	S	S	.	*	H	α-helix	trans	-75.2	-36.1	177.9	-63.6	169.9	0	0	0	111.1	I535 V536 S537 I542 L543	I535-I539 HydrophobicContact CG2-CD1 4.26Å; I535-I539 WeakPolarHBondContact O-CG1 3.24Å; I535-I539 PolarHBondContact O-N 2.73Å; V536-I539 PolarHBondContact O-N 3.4Å; S537-I539 PolarHBondContact O-N 2.76Å; I539-I542 PolarHBondContact O-N 2.83Å; I539-L543 HydrophobicContact CG2-CD1 4.24Å; I539-L543 PolarHBondContact O-N 3.39Å
540	A	57.4	Low	61.7	Low	43 Å²	43	98.8 Å²	98.8	36%	0.355	55%	0.545	S	S	.	.	H	α-helix	trans	-60.8	-46.6	177.4	0	0	0	0	0	111.9	V536 S537 I542 L543 V544	V536-A540 WeakPolarHBondContact O-CB 3.22Å; V536-A540 PolarHBondContact O-N 3.43Å; S537-A540 PolarHBondContact O-N 2.95Å; A540-I542 VanDerWaalsContact C-N 3.31Å; A540-I542 PolarHBondContact O-N 2.94Å; A540-L543 PolarHBondContact O-N 2.99Å; A540-V544 WeakPolarHBondContact O-CB 3.08Å; A540-V544 VanDerWaalsContact O-CG2 3.28Å; A540-V544 WeakPolarHBondContact O-CG2 3.06Å; A540-V544 PolarHBondContact O-N 3.07Å
541	C	56.1	Low	62.6	Low	70 Å²	70	97.3 Å²	97.3	47%	0.473	54%	0.537	S	S	.	.	H	α-helix	trans	-56.5	-41.3	178	-87.7	0	0	0	0	113.5	S537 L543 L545	S537-C541 PolarHBondContact O-N 3.4Å; S537-C541 VanDerWaalsContact O-N 3.13Å; C541-L543 PolarHBondContact O-N 3Å; C541-L545 HydrophobicContact CB-CD1 4.29Å; C541-L545 WeakPolarHBondContact O-CB 3.2Å; C541-L545 WeakPolarHBondContact O-CD1 3.49Å; C541-L545 WeakPolarHBondContact O-CG 3.36Å; C541-L545 PolarHBondContact O-N 2.93Å
542	I	66.1	Low	63.5	Low	129 Å²	129	94.7 Å²	94.7	66%	0.662	52%	0.523	S	S	*	.	H	α-helix	trans	-70.7	-32.7	-175.4	-65.1	172.3	0	0	0	112.2	I539 A540 P546	I539-I542 PolarHBondContact O-N 2.83Å; A540-I542 VanDerWaalsContact C-N 3.31Å; A540-I542 PolarHBondContact O-N 2.94Å; I542-P546 VanDerWaalsContact O-CD 3.3Å; I542-P546 WeakPolarHBondContact O-CD 3.34Å; I542-P546 WeakPolarHBondContact O-CG 3.4Å
543	L	67.9	Low	64.8	Low	112 Å²	112	97.4 Å²	97.4	59%	0.586	53%	0.527	S	S	*	.	H	α-helix	trans	-97.7	-34.6	-177.2	-66.6	175.6	0	0	0	113.9	I539 A540 C541 L547	I539-L543 HydrophobicContact CG2-CD1 4.24Å; I539-L543 PolarHBondContact O-N 3.39Å; A540-L543 PolarHBondContact O-N 2.99Å; C541-L543 PolarHBondContact O-N 3Å; L543-L547 WeakPolarHBondContact O-CD1 3.43Å; L543-L547 WeakPolarHBondContact O-CG 3.35Å
544	V	70.8	Confident	65.8	Low	72 Å²	72	97.8 Å²	97.8	44%	0.436	53%	0.528	S	S	.	.	H	α-helix	trans	-83.6	-36.6	-172.9	-179.9	0	0	0	0	111.9	A540 L547 I548	A540-V544 WeakPolarHBondContact O-CB 3.08Å; A540-V544 VanDerWaalsContact O-CG2 3.28Å; A540-V544 WeakPolarHBondContact O-CG2 3.06Å; A540-V544 PolarHBondContact O-N 3.07Å; V544-L547 PolarHBondContact O-N 2.83Å; V544-I548 HydrophobicContact CG1-CD1 3.68Å; V544-I548 HydrophobicContact CG1-CG1 4.11Å; V544-I548 WeakPolarHBondContact O-CG1 3.34Å; V544-I548 PolarHBondContact O-N 3.02Å
545	L	66.5	Low	67.1	Low	106 Å²	106	95.1 Å²	95.1	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-63.4	-42.4	179.7	-64.4	174.4	0	0	0	113.3	C541 L547 I548 A549	C541-L545 HydrophobicContact CB-CD1 4.29Å; C541-L545 WeakPolarHBondContact O-CB 3.2Å; C541-L545 WeakPolarHBondContact O-CD1 3.49Å; C541-L545 WeakPolarHBondContact O-CG 3.36Å; C541-L545 PolarHBondContact O-N 2.93Å; L545-L547 VanDerWaalsContact C-N 3.34Å; L545-L547 PolarHBondContact O-N 2.93Å; L545-I548 PolarHBondContact O-N 3.12Å; L545-A549 WeakPolarHBondContact O-CB 3.21Å; L545-A549 PolarHBondContact O-N 2.92Å
546	P	75.4	Confident	67.6	Low	69 Å²	69	95 Å²	95	45%	0.448	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-35.5	173.2	-23.2	34.9	0	0	0	113.6	I542 A549 L550	I542-P546 VanDerWaalsContact O-CD 3.3Å; I542-P546 WeakPolarHBondContact O-CD 3.34Å; I542-P546 WeakPolarHBondContact O-CG 3.4Å; P546-A549 PolarHBondContact O-N 2.92Å; P546-L550 WeakPolarHBondContact O-CB 3.47Å; P546-L550 PolarHBondContact O-N 3.14Å
547	L	71.6	Confident	68.1	Low	106 Å²	106	93.4 Å²	93.4	56%	0.555	52%	0.516	S	S	*	.	H	α-helix	trans	-69.4	-40.7	176.7	-74.8	170.7	0	0	0	112	L543 V544 L545 L550 L551	L543-L547 WeakPolarHBondContact O-CD1 3.43Å; L543-L547 WeakPolarHBondContact O-CG 3.35Å; V544-L547 PolarHBondContact O-N 2.83Å; L545-L547 VanDerWaalsContact C-N 3.34Å; L545-L547 PolarHBondContact O-N 2.93Å; L547-L550 PolarHBondContact O-N 2.89Å; L547-L551 WeakPolarHBondContact O-CB 3.37Å; L547-L551 WeakPolarHBondContact O-CG 3.45Å; L547-L551 PolarHBondContact O-N 3.06Å
548	I	75.6	Confident	68.1	Low	77 Å²	77	95.7 Å²	95.7	40%	0.395	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-42.9	172.4	-70.4	174	0	0	0	110.4	V544 L545 L550 L551 I552	V544-I548 HydrophobicContact CG1-CD1 3.68Å; V544-I548 HydrophobicContact CG1-CG1 4.11Å; V544-I548 WeakPolarHBondContact O-CG1 3.34Å; V544-I548 PolarHBondContact O-N 3.02Å; L545-I548 PolarHBondContact O-N 3.12Å; I548-L550 PolarHBondContact O-N 2.83Å; I548-L551 PolarHBondContact O-N 2.81Å; I548-I552 HydrophobicContact CG2-CD1 3.66Å; I548-I552 HydrophobicContact CG2-CG1 4.31Å; I548-I552 WeakPolarHBondContact O-CB 3.15Å; I548-I552 VanDerWaalsContact O-CG1 3.3Å; I548-I552 WeakPolarHBondContact O-CG1 3.27Å; I548-I552 PolarHBondContact O-N 3.21Å
549	A	72.1	Confident	68.2	Low	59 Å²	59	101.9 Å²	101.9	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.7	0	0	0	0	0	112.5	L545 P546 Y553	L545-A549 WeakPolarHBondContact O-CB 3.21Å; L545-A549 PolarHBondContact O-N 2.92Å; P546-A549 PolarHBondContact O-N 2.92Å; A549-Y553 VanDerWaalsContact O-CB 3.31Å; A549-Y553 WeakPolarHBondContact O-CB 3.47Å; A549-Y553 PolarHBondContact O-N 2.59Å
550	L	73.9	Confident	67.8	Low	109 Å²	109	102.8 Å²	102.8	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-66.1	-37.8	174.2	-88.2	165.9	0	0	0	113.2	P546 L547 I548 K554	P546-L550 WeakPolarHBondContact O-CB 3.47Å; P546-L550 PolarHBondContact O-N 3.14Å; L547-L550 PolarHBondContact O-N 2.89Å; I548-L550 PolarHBondContact O-N 2.83Å; L550-K554 PolarHBondContact O-N 3.1Å
551	L	73.1	Confident	67.3	Low	108 Å²	108	109.2 Å²	109.2	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-66.8	-46.3	174.7	-76.5	166	0	0	0	111.4	L547 I548 Y553 K554 I555	L547-L551 WeakPolarHBondContact O-CB 3.37Å; L547-L551 WeakPolarHBondContact O-CG 3.45Å; L547-L551 PolarHBondContact O-N 3.06Å; I548-L551 PolarHBondContact O-N 2.81Å; L551-Y553 VanDerWaalsContact C-N 3.34Å; L551-Y553 PolarHBondContact O-N 3.41Å; L551-K554 PolarHBondContact O-N 3.02Å; L551-I555 VanDerWaalsContact O-CG1 3.27Å; L551-I555 WeakPolarHBondContact O-CG1 3.43Å; L551-I555 PolarHBondContact O-N 3.4Å
552	I	74.6	Confident	66.8	Low	92 Å²	92	109.1 Å²	109.1	47%	0.472	58%	0.58	S	S	.	*	H	α-helix	trans	-60.4	-43.9	174.8	-69	169.1	0	0	0	110.4	I548 K554 I555 L556	I548-I552 HydrophobicContact CG2-CD1 3.66Å; I548-I552 HydrophobicContact CG2-CG1 4.31Å; I548-I552 WeakPolarHBondContact O-CB 3.15Å; I548-I552 VanDerWaalsContact O-CG1 3.3Å; I548-I552 WeakPolarHBondContact O-CG1 3.27Å; I548-I552 PolarHBondContact O-N 3.21Å; I552-K554 PolarHBondContact O-N 3.43Å; I552-I555 PolarHBondContact O-N 2.96Å; I552-L556 HydrophobicContact CG2-CD1 3.83Å; I552-L556 HydrophobicContact CG2-CG 4.35Å; I552-L556 WeakPolarHBondContact O-CB 3.28Å; I552-L556 VanDerWaalsContact O-CG 3.31Å; I552-L556 WeakPolarHBondContact O-CG 3.05Å; I552-L556 PolarHBondContact O-N 3.19Å
553	Y	79.3	Confident	65.7	Low	165 Å²	165	107.5 Å²	107.5	65%	0.647	58%	0.58	S	S	*	*	H	α-helix	trans	-58.9	-44.8	173.9	175.1	-100.4	0	0	0	112.2	A549 L551 L556 A557	A549-Y553 VanDerWaalsContact O-CB 3.31Å; A549-Y553 WeakPolarHBondContact O-CB 3.47Å; A549-Y553 PolarHBondContact O-N 2.59Å; L551-Y553 VanDerWaalsContact C-N 3.34Å; L551-Y553 PolarHBondContact O-N 3.41Å; Y553-L556 PolarHBondContact O-N 2.9Å; Y553-A557 VanDerWaalsContact O-CB 3.27Å; Y553-A557 WeakPolarHBondContact O-CB 3.5Å; Y553-A557 PolarHBondContact O-N 2.7Å
554	K	70.1	Confident	64.5	Low	147 Å²	147	109.4 Å²	109.4	64%	0.639	59%	0.591	S	S	*	*	H	α-helix	trans	-63.8	-40.8	175.1	-107.2	-165.6	173.6	-170	0	112.8	L550 L551 I552 A557 L558	L550-K554 PolarHBondContact O-N 3.1Å; L551-K554 PolarHBondContact O-N 3.02Å; I552-K554 PolarHBondContact O-N 3.43Å; K554-A557 PolarHBondContact O-N 3.24Å; K554-L558 WeakPolarHBondContact O-CB 3.32Å; K554-L558 VanDerWaalsContact O-CG 3.3Å; K554-L558 WeakPolarHBondContact O-CG 3.45Å; K554-L558 PolarHBondContact O-N 2.9Å
555	I	74.3	Confident	62.8	Low	103 Å²	103	113.1 Å²	113.1	53%	0.528	61%	0.613	S	S	.	*	H	α-helix	trans	-65	-45.2	178.3	-70	162.8	0	0	0	110.3	L551 I552 L558 Y559	L551-I555 VanDerWaalsContact O-CG1 3.27Å; L551-I555 WeakPolarHBondContact O-CG1 3.43Å; L551-I555 PolarHBondContact O-N 3.4Å; I552-I555 PolarHBondContact O-N 2.96Å; I555-L558 PolarHBondContact O-N 3.07Å; I555-Y559 PolarHBondContact O-N 2.6Å
556	L	64.7	Low	61.7	Low	103 Å²	103	113.3 Å²	113.3	54%	0.539	62%	0.624	S	S	.	*	H	α-helix	trans	-63.8	-42.3	175.1	-69.5	170.3	0	0	0	111.8	I552 Y553 L558 Y559 C560	I552-L556 HydrophobicContact CG2-CD1 3.83Å; I552-L556 HydrophobicContact CG2-CG 4.35Å; I552-L556 WeakPolarHBondContact O-CB 3.28Å; I552-L556 VanDerWaalsContact O-CG 3.31Å; I552-L556 WeakPolarHBondContact O-CG 3.05Å; I552-L556 PolarHBondContact O-N 3.19Å; Y553-L556 PolarHBondContact O-N 2.9Å; L556-L558 VanDerWaalsContact C-N 3.33Å; L556-L558 PolarHBondContact O-N 2.89Å; L556-Y559 PolarHBondContact O-N 2.89Å; L556-C560 WeakPolarHBondContact O-CB 3.27Å; L556-C560 PolarHBondContact O-N 2.89Å; L556-C560 PolarHBondContact O-SG 3.02Å; L556-C560 VanDerWaalsContact O-SG 3.38Å
557	A	65.6	Low	60.2	Low	47 Å²	47	116.6 Å²	116.6	39%	0.388	64%	0.637	S	S	.	*	H	α-helix	trans	-64.3	-35.5	175.9	0	0	0	0	0	112.8	Y553 K554 K561	Y553-A557 VanDerWaalsContact O-CB 3.27Å; Y553-A557 WeakPolarHBondContact O-CB 3.5Å; Y553-A557 PolarHBondContact O-N 2.7Å; K554-A557 PolarHBondContact O-N 3.24Å; A557-K561 WeakPolarHBondContact O-CB 3.17Å; A557-K561 PolarHBondContact O-N 3.06Å
558	L	59.5	Low	58.7	Low	121 Å²	121	115.4 Å²	115.4	63%	0.634	63%	0.631	S	S	*	*	H	α-helix	trans	-66.9	-45	171.5	-76.9	164.1	0	0	0	111.3	K554 I555 L556 C560 K561 G562	K554-L558 WeakPolarHBondContact O-CB 3.32Å; K554-L558 VanDerWaalsContact O-CG 3.3Å; K554-L558 WeakPolarHBondContact O-CG 3.45Å; K554-L558 PolarHBondContact O-N 2.9Å; I555-L558 PolarHBondContact O-N 3.07Å; L556-L558 VanDerWaalsContact C-N 3.33Å; L556-L558 PolarHBondContact O-N 2.89Å; L558-C560 PolarHBondContact O-N 3.11Å; L558-K561 CarbonylContact O-C 3.44Å; L558-K561 PolarHBondContact O-N 2.69Å; L558-K561 VanDerWaalsContact O-N 3.08Å; L558-G562 PolarHBondContact O-N 2.85Å
559	Y	57.3	Low	57.1	Low	204 Å²	204	116.3 Å²	116.3	80%	0.8	64%	0.64	S	S	*	*	H	α-helix	trans	-62.7	-41.7	178.8	-136.6	-90.9	0	0	0	112	I555 L556 K561 G562	I555-Y559 PolarHBondContact O-N 2.6Å; L556-Y559 PolarHBondContact O-N 2.89Å; Y559-K561 PolarHBondContact O-N 2.83Å; Y559-G562 PolarHBondContact O-N 2.87Å
560	C	51.4	Low	55.3	Low	117 Å²	117	117.4 Å²	117.4	79%	0.791	64%	0.638	S	S	*	*	H	α-helix	trans	-70.1	-15.3	174.5	-68.1	0	0	0	0	114.3	L556 L558	L556-C560 WeakPolarHBondContact O-CB 3.27Å; L556-C560 PolarHBondContact O-N 2.89Å; L556-C560 PolarHBondContact O-SG 3.02Å; L556-C560 VanDerWaalsContact O-SG 3.38Å; L558-C560 PolarHBondContact O-N 3.11Å
561	K	47.7	Very low	53.7	Low	178 Å²	178	116.8 Å²	116.8	77%	0.774	63%	0.632	S	S	*	*	H	α-helix	trans	-97.6	-9.1	173.8	-158.6	176.4	-179.1	-173.4	0	112.7	A557 L558 Y559 S563	A557-K561 WeakPolarHBondContact O-CB 3.17Å; A557-K561 PolarHBondContact O-N 3.06Å; L558-K561 CarbonylContact O-C 3.44Å; L558-K561 PolarHBondContact O-N 2.69Å; L558-K561 VanDerWaalsContact O-N 3.08Å; Y559-K561 PolarHBondContact O-N 2.83Å; K561-S563 PolarHBondContact O-N 2.96Å
562	G	45.6	Very low	52.2	Low	68 Å²	68	116.1 Å²	116.1	70%	0.701	63%	0.629	S	S	*	*			trans	-78.5	43.8	-177.7	0	0	0	0	0	115.2	L558 Y559	L558-G562 PolarHBondContact O-N 2.85Å; Y559-G562 PolarHBondContact O-N 2.87Å
563	S	43.8	Very low	50.6	Low	95 Å²	95	117.2 Å²	117.2	66%	0.664	63%	0.632	S	S	*	*	S	Bend	trans	-145.1	135.8	171.3	-169.7	0	0	0	0	110.5	K561	K561-S563 PolarHBondContact O-N 2.96Å
564	N	42.2	Very low	48.6	Very low	152 Å²	152	115.8 Å²	115.8	81%	0.813	63%	0.629	S	S	*	*	S	Bend	trans	65.9	74.8	-175.2	-56.4	-33.2	0	0	0	117.2
565	T	34.8	Very low	47.1	Very low	149 Å²	149	116.7 Å²	116.7	91%	0.914	64%	0.635	S	S	*	*				-153.1	130.5	123.8	13.5	0	0	0	0	111.7
566	S	42.4	Very low	45.4	Very low	110 Å²	110	115.4 Å²	115.4	77%	0.769	64%	0.636	S	S	*	*			trans	-86	-178.1	155.2	53.3	0	0	0	0	109.8
567	L	44.7	Very low	43.8	Very low	139 Å²	139	119.4 Å²	119.4	73%	0.728	65%	0.645	S	S	*	*			trans	76.8	93.8	171.3	-163.5	86	0	0	0	116.9
568	D	40.2	Very low	42.4	Very low	80 Å²	80	121.9 Å²	121.9	43%	0.428	66%	0.655	S	S	.	*				-158.4	35.2	129.6	-141.1	-8.1	0	0	0	113.6	R32 N570 E571	R32-D568 IonicContact CZ-OD2 4Å; R32-D568 IonicContact NH1-OD2 3.27Å; R32-D568 PolarHBondContact NH1-OD2 2.8Å; R32-D568 IonicContact NH2-OD2 2.72Å; R32-D568 PolarHBondContact NH2-OD2 2.78Å; D568-N570 VanDerWaalsContact C-N 3.3Å; D568-E571 WeakPolarHBondContact OD1-CG 3.32Å
569	T	41.2	Very low	40.8	Very low	97 Å²	97	123.1 Å²	123.1	60%	0.595	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-23.3	176.4	41.9	0	0	0	0	113.3	E571	T569-E571 VanDerWaalsContact C-N 3.35Å; T569-E571 PolarHBondContact O-N 2.04Å
570	N	35.6	Very low	39.8	Very low	82 Å²	82	121.8 Å²	121.8	44%	0.439	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-7.3	-164.9	-61.8	14	0	0	0	113.9	D568 K574	D568-N570 VanDerWaalsContact C-N 3.3Å; N570-K574 WeakPolarHBondContact O-CD 3.47Å; N570-K574 VanDerWaalsContact O-CE 3.27Å; N570-K574 WeakPolarHBondContact O-CE 3.43Å; N570-K574 WeakPolarHBondContact O-CG 3.38Å
571	E	39.8	Very low	38.9	Very low	95 Å²	95	122.8 Å²	122.8	44%	0.444	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.9	-41.2	177.5	-68.5	-65.2	100	0	0	111.9	D568 T569 E573 K574	D568-E571 WeakPolarHBondContact OD1-CG 3.32Å; T569-E571 VanDerWaalsContact C-N 3.35Å; T569-E571 PolarHBondContact O-N 2.04Å; E571-E573 VanDerWaalsContact C-N 3.34Å; E571-E573 PolarHBondContact O-N 2.9Å; E571-K574 PolarHBondContact O-N 2.86Å; E571-K574 IonicContact OE1-NZ 3.17Å; E571-K574 PolarHBondContact OE1-NZ 3.23Å
572	L	42.7	Very low	38	Very low	94 Å²	94	120.7 Å²	120.7	49%	0.492	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-71.2	-27	176.7	-100.4	75.2	0	0	0	113.2	Y85 K574	Y85-L572 HydrophobicContact CE2-CD2 4.27Å; L572-K574 PolarHBondContact O-N 2.91Å
573	E	39.3	Very low	37.3	Very low	115 Å²	115	125.3 Å²	125.3	54%	0.537	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-73.1	-7.6	176.3	-67.2	-174.2	156.5	0	0	113.3	E571 S576	E571-E573 VanDerWaalsContact C-N 3.34Å; E571-E573 PolarHBondContact O-N 2.9Å; E573-S576 PolarHBondContact O-OG 2.93Å
574	K	37.4	Very low	36.5	Very low	135 Å²	135	125.7 Å²	125.7	59%	0.587	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-85.3	-26.2	177.6	-71.2	168.5	-176	175.2	0	113.9	N570 E571 L572 S576	N570-K574 WeakPolarHBondContact O-CD 3.47Å; N570-K574 VanDerWaalsContact O-CE 3.27Å; N570-K574 WeakPolarHBondContact O-CE 3.43Å; N570-K574 WeakPolarHBondContact O-CG 3.38Å; E571-K574 PolarHBondContact O-N 2.86Å; E571-K574 IonicContact OE1-NZ 3.17Å; E571-K574 PolarHBondContact OE1-NZ 3.23Å; L572-K574 PolarHBondContact O-N 2.91Å; K574-S576 PolarHBondContact O-N 2.9Å
575	E	39.4	Very low	35.8	Very low	167 Å²	167	127.2 Å²	127.2	78%	0.78	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-7.9	178.4	-70.5	-163.2	164.7	0	0	113.8
576	S	38.5	Very low	35.4	Very low	76 Å²	76	128.4 Å²	128.4	53%	0.531	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.8	-0	-177.6	55.9	0	0	0	0	114.7	E573 K574 V578	E573-S576 PolarHBondContact O-OG 2.93Å; K574-S576 PolarHBondContact O-N 2.9Å; S576-V578 PolarHBondContact O-N 2.83Å
577	Y	30.5	Very low	34.8	Very low	186 Å²	186	132.4 Å²	132.4	73%	0.729	66%	0.662	S	S	*	*			trans	-94	92.1	-169	-151.6	-85.5	0	0	0	113.9	K579	Y577-K579 HydrophobicContact CD1-CB 4.46Å; Y577-K579 PolarHBondContact O-N 2.88Å
578	V	36.6	Very low	34	Very low	100 Å²	100	136.5 Å²	136.5	61%	0.606	67%	0.668	S	S	*	*			trans	-67.5	103.2	164.6	178.6	0	0	0	0	108.8	S576 F580	S576-V578 PolarHBondContact O-N 2.83Å; V578-F580 HydrophobicContact CB-CD2 4.47Å; V578-F580 HydrophobicContact CB-CE2 4Å; V578-F580 HydrophobicContact CB-CZ 4.41Å; V578-F580 HydrophobicContact CG1-CD2 4.12Å; V578-F580 HydrophobicContact CG1-CE1 4.23Å; V578-F580 HydrophobicContact CG1-CE2 3.78Å; V578-F580 HydrophobicContact CG1-CG 4.49Å; V578-F580 HydrophobicContact CG1-CZ 3.84Å; V578-F580 VanDerWaalsContact O-CD2 3.24Å; V578-F580 WeakPolarHBondContact O-CD2 3.44Å; V578-F580 PolarHBondContact O-N 3.47Å
579	K	26.2	Very low	33.5	Very low	146 Å²	146	139.2 Å²	139.2	64%	0.635	69%	0.688	S	S	*	*			trans	-72.1	90.6	176.1	-172	-160.5	-179.5	-166.8	0	110.3	Y577 E581	Y577-K579 HydrophobicContact CD1-CB 4.46Å; Y577-K579 PolarHBondContact O-N 2.88Å; K579-E581 HydrophobicContact CD-CG 4.18Å; K579-E581 WeakPolarHBondContact CE-OE1 3.26Å; K579-E581 HydrophobicContact CG-CG 4.49Å; K579-E581 IonicContact NZ-OE1 2.78Å; K579-E581 PolarHBondContact NZ-OE1 2.85Å; K579-E581 PolarHBondContact O-N 3.12Å
580	F	36.3	Very low	33	Very low	177 Å²	177	142.2 Å²	142.2	78%	0.776	70%	0.699	S	S	*	*			trans	-66.7	93.4	169.9	-68.2	-83.3	0	0	0	110.8	V578 T582	V578-F580 HydrophobicContact CB-CD2 4.47Å; V578-F580 HydrophobicContact CB-CE2 4Å; V578-F580 HydrophobicContact CB-CZ 4.41Å; V578-F580 HydrophobicContact CG1-CD2 4.12Å; V578-F580 HydrophobicContact CG1-CE1 4.23Å; V578-F580 HydrophobicContact CG1-CE2 3.78Å; V578-F580 HydrophobicContact CG1-CG 4.49Å; V578-F580 HydrophobicContact CG1-CZ 3.84Å; V578-F580 VanDerWaalsContact O-CD2 3.24Å; V578-F580 WeakPolarHBondContact O-CD2 3.44Å; V578-F580 PolarHBondContact O-N 3.47Å; F580-T582 PolarHBondContact O-N 3.32Å
581	E	31.7	Very low	32.7	Very low	138 Å²	138	145.2 Å²	145.2	65%	0.645	72%	0.715	S	S	*	*			trans	-71.6	112.8	162.3	-70.2	-170.7	167.5	0	0	108.7	K579 I583	K579-E581 HydrophobicContact CD-CG 4.18Å; K579-E581 WeakPolarHBondContact CE-OE1 3.26Å; K579-E581 HydrophobicContact CG-CG 4.49Å; K579-E581 IonicContact NZ-OE1 2.78Å; K579-E581 PolarHBondContact NZ-OE1 2.85Å; K579-E581 PolarHBondContact O-N 3.12Å; E581-I583 PolarHBondContact O-N 3.29Å; E581-I583 VanDerWaalsContact O-N 3.12Å
582	T	29.9	Very low	32.2	Very low	133 Å²	133	145.8 Å²	145.8	82%	0.816	73%	0.73	S	S	*	*			trans	-64.8	112.2	179.8	37.1	0	0	0	0	110.2	F580 S584	F580-T582 PolarHBondContact O-N 3.32Å; T582-S584 PolarHBondContact O-N 3.31Å
583	I	30.2	Very low	31.5	Very low	165 Å²	165	150.7 Å²	150.7	85%	0.846	75%	0.75	S	S	*	*			trans	-70.5	83.2	179.2	-48.4	177.9	0	0	0	109.1	E581 M585	E581-I583 PolarHBondContact O-N 3.29Å; E581-I583 VanDerWaalsContact O-N 3.12Å; I583-M585 PolarHBondContact O-N 3.48Å; I583-M585 VanDerWaalsContact O-N 3.12Å
584	S	27.8	Very low	31.7	Very low	103 Å²	103	150.3 Å²	150.3	72%	0.72	76%	0.757	S	S	*	*			trans	-61.7	113.4	174.1	-176.9	0	0	0	0	109.5	T582 K586	T582-S584 PolarHBondContact O-N 3.31Å; S584-K586 PolarHBondContact O-N 3.06Å
585	M	27.2	Very low	31.1	Very low	185 Å²	185	149.9 Å²	149.9	91%	0.911	77%	0.766	S	S	*	*			trans	-68.5	80.8	171.5	-79.7	-163.4	173.1	0	0	110.3	I583 Q587	I583-M585 PolarHBondContact O-N 3.48Å; I583-M585 VanDerWaalsContact O-N 3.12Å; M585-Q587 VanDerWaalsContact C-N 3.3Å; M585-Q587 PolarHBondContact O-N 2.87Å
586	K	26.7	Very low	30.6	Very low	173 Å²	173	149.9 Å²	149.9	75%	0.752	77%	0.766	S	S	*	*			trans	-74.2	86.4	171.9	-169.7	168	-171.4	166.9	0	109.8	S584 R588	S584-K586 PolarHBondContact O-N 3.06Å; K586-R588 PolarHBondContact O-N 2.63Å; K586-R588 VanDerWaalsContact O-N 3.16Å
587	Q	29.9	Very low	30.1	Very low	194 Å²	194	153 Å²	153	91%	0.907	78%	0.776	S	S	*	*			trans	-48.2	118.8	171.6	-167.9	175.8	14.3	0	0	109.7	M585	M585-Q587 VanDerWaalsContact C-N 3.3Å; M585-Q587 PolarHBondContact O-N 2.87Å
588	R	27.7	Very low	30	Very low	226 Å²	226	154.5 Å²	154.5	85%	0.853	78%	0.78	S	S	*	*			trans	-130.9	132.5	-179.7	-149.1	173.1	-166.6	171.9	2	109.7	K586	K586-R588 PolarHBondContact O-N 2.63Å; K586-R588 VanDerWaalsContact O-N 3.16Å
589	T	29.8	Very low	29.5	Very low	137 Å²	137	154.9 Å²	154.9	84%	0.84	79%	0.794	S	S	*	*			trans	-75	149.3	-169.2	38.8	0	0	0	0	113
590	L	30.4	Very low	29.7	Very low	159 Å²	159	157.4 Å²	157.4	83%	0.832	80%	0.8	S	S	*	*			trans	-65.6	129.3	172.3	-175.2	77.3	0	0	0	110.7
591	N	29.4	Very low	29.2	Very low	146 Å²	146	160.6 Å²	160.6	78%	0.781	81%	0.807	S	S	*	*			trans	-179.7	156.4	135.9	-95	-22	0	0	0	115.2
592	S	28.4	Very low	29.4	Very low	107 Å²	107	159.2 Å²	159.2	75%	0.748	81%	0.81	S	S	*	*			trans	57.7	84.5	156.9	62.8	0	0	0	0	121.4
593	H	28.7	Very low	29.3	Very low	196 Å²	196	159.4 Å²	159.4	91%	0.907	81%	0.811	S	S	*	*			trans	66.9	160	130.2	-86.3	0.9	0	0	0	123.2
594	P	42.4	Very low	29.3	Very low	107 Å²	107	159.3 Å²	159.3	70%	0.695	81%	0.812	S	S	*	*			trans	-127.8	149.9	-155.5	40.6	-24.3	0	0	0	116.8
595	T	25.9	Very low	29.5	Very low	126 Å²	126	163.3 Å²	163.3	77%	0.773	82%	0.82	S	S	*	*			trans	-162.3	135.2	153.3	29.8	0	0	0	0	109.8
596	E	27.9	Very low	29.7	Very low	167 Å²	167	159.8 Å²	159.8	78%	0.78	81%	0.813	S	S	*	*			trans	51.9	152.2	138.3	-56.9	-165.4	147.7	0	0	121.4
597	L	28.1	Very low	30.2	Very low	141 Å²	141	160 Å²	160	74%	0.738	82%	0.817	S	S	*	*			cis	-153.3	171	-17.4	-116.1	169.8	0	0	0	108.6
598	W	28.5	Very low	30.4	Very low	218 Å²	218	162.2 Å²	162.2	83%	0.826	82%	0.817	S	S	*	*			trans	-75.3	138.6	-175.5	-73	72.4	0	0	0	113.9	R600	W598-R600 HydrophobicContact CE3-CB 4.48Å
599	A	27.4	Very low	30.6	Very low	109 Å²	109	159.1 Å²	159.1	90%	0.901	82%	0.816	S	S	*	*			trans	-131.5	86.7	162	0	0	0	0	0	110.3
600	R	29.3	Very low	30.8	Very low	198 Å²	198	160.5 Å²	160.5	75%	0.747	82%	0.818	S	S	*	*			trans	-99.5	128.8	-178.9	-171	-178.3	-170.9	178	2.7	110.1	W598	W598-R600 HydrophobicContact CE3-CB 4.48Å
601	R	25.3	Very low	30.9	Very low	245 Å²	245	160.8 Å²	160.8	93%	0.925	82%	0.819	S	S	*	*			trans	-138.2	152.9	154.8	-86.3	-158.9	175.9	-167.3	0.3	111.6
602	P	37.2	Very low	30.9	Very low	108 Å²	108	160 Å²	160	70%	0.701	82%	0.824	S	S	*	*			trans	-124.2	152	-157	38.9	-23.6	0	0	0	115.1
603	T	27.8	Very low	30.9	Very low	138 Å²	138	160.8 Å²	160.8	85%	0.847	83%	0.829	S	S	*	*			trans	-149.2	123.2	158.1	44.4	0	0	0	0	109.6
604	N	28.7	Very low	31.2	Very low	163 Å²	163	159.4 Å²	159.4	87%	0.872	82%	0.816	S	S	*	*			trans	26.3	121.4	172.9	-84.2	15.9	0	0	0	120.7
605	E	33.7	Very low	30.5	Very low	187 Å²	187	159.8 Å²	159.8	87%	0.874	82%	0.821	S	S	*	*			trans	-90	129.3	157.6	-65.3	178.8	-179.8	0	0	110.2
606	S	31.4	Very low	30.8	Very low	111 Å²	111	159.2 Å²	159.2	78%	0.776	82%	0.823	S	S	*	*			trans	-155.6	-6.5	157.9	61.7	0	0	0	0	113.8
607	E	36.2	Very low	31.1	Very low	177 Å²	177	158 Å²	158	83%	0.827	82%	0.82	S	S	*	*	S	Bend	trans	-133.8	77.4	-177	-66.2	-172.2	165.7	0	0	112.1
608	R	33.7	Very low	31.2	Very low	241 Å²	241	157.9 Å²	157.9	91%	0.909	82%	0.82	S	S	*	*			trans	-165.8	154.1	155.2	-115.9	165.9	177.9	127.8	2	111.1
609	L	32.7	Very low	31.3	Very low	160 Å²	160	152 Å²	152	84%	0.838	81%	0.812	S	S	*	*			trans	69.7	130	-156.9	-50.1	167.7	0	0	0	110.4
610	L	33.7	Very low	31.4	Very low	167 Å²	167	156.2 Å²	156.2	87%	0.874	81%	0.813	S	S	*	*			cis	-115.5	125.5	14.4	-65.6	163.1	0	0	0	112.4
611	L	31.9	Very low	31.3	Very low	165 Å²	165	155.4 Å²	155.4	86%	0.864	82%	0.82	S	S	*	*			trans	-139.5	138	160	-89	173.3	0	0	0	108.6
612	C	31.1	Very low	31.6	Very low	129 Å²	129	149.6 Å²	149.6	87%	0.872	81%	0.812	S	S	*	*			trans	62.7	105	174.7	-59.1	0	0	0	0	117.8
613	S	27.7	Very low	31.2	Very low	124 Å²	124	155.6 Å²	155.6	87%	0.867	82%	0.822	S	S	*	*			trans	-143.3	74.3	148	64.8	0	0	0	0	111.4	S615	S613-S615 PolarHBondContact O-N 2.78Å
614	R	34.4	Very low	31.6	Very low	166 Å²	166	158.5 Å²	158.5	63%	0.626	82%	0.823	S	S	*	*			trans	-71.7	119.5	161	-73	174.6	92.6	151	12.1	107.9	D225	D225-R614 IonicContact OD1-NH1 3.63Å; D225-R614 IonicContact OD2-CZ 3.32Å; D225-R614 VanDerWaalsContact OD2-CZ 3.32Å; D225-R614 IonicContact OD2-NH1 2.67Å; D225-R614 PolarHBondContact OD2-NH1 2.58Å; D225-R614 IonicContact OD2-NH2 3.26Å; D225-R614 PolarHBondContact OD2-NH2 3.32Å
615	S	28.6	Very low	31.7	Very low	115 Å²	115	156.4 Å²	156.4	80%	0.804	82%	0.821	S	S	*	*			trans	-158.7	115.2	145.6	-160.9	0	0	0	0	110.3	S613	S613-S615 PolarHBondContact O-N 2.78Å
616	S	31.6	Very low	31.6	Very low	115 Å²	115	155 Å²	155	80%	0.804	82%	0.819	S	S	*	*			trans	-148.6	142.8	167.9	-179.9	0	0	0	0	105.4
617	I	34.2	Very low	31.6	Very low	142 Å²	142	155.1 Å²	155.1	73%	0.728	82%	0.821	S	S	*	*			trans	87.8	129	-152.6	-59	166	0	0	0	110.5
618	D	29.8	Very low	31.2	Very low	138 Å²	138	152.3 Å²	152.3	74%	0.738	82%	0.82	S	S	*	*			cis	-130.9	169.3	13.8	-140.5	-40.7	0	0	0	114.9
619	S	30.6	Very low	31.2	Very low	93 Å²	93	151 Å²	151	65%	0.65	82%	0.816	S	S	*	*			trans	-25.8	153.6	170.5	47.8	0	0	0	0	120.7	M621	S619-M621 PolarHBondContact O-N 2.58Å
620	Q	29.1	Very low	31	Very low	198 Å²	198	148 Å²	148	93%	0.925	81%	0.808	S	S	*	*			trans	-66.4	117.7	159.3	-65.4	179.9	4.9	0	0	110.3
621	M	28.7	Very low	30.7	Very low	182 Å²	182	146.7 Å²	146.7	90%	0.897	80%	0.797	S	S	*	*			trans	-133.7	138.7	147.7	-126	-176	-170.6	0	0	110.7	S619	S619-M621 PolarHBondContact O-N 2.58Å
622	T	31.8	Very low	30.4	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	80%	0.798	S	S	*	*			trans	-55.1	135.7	-169.9	48.6	0	0	0	0	114.7
623	Y	27.7	Very low	30.3	Very low	234 Å²	234	151.4 Å²	151.4	92%	0.918	80%	0.798	S	S	*	*				-156.7	160.9	122.2	-112.4	-75.9	0	0	0	111.5
624	K	35.8	Very low	30.5	Very low	198 Å²	198	155.4 Å²	155.4	86%	0.861	82%	0.824	S	S	*	*			trans	-96.9	138.8	-177.8	-55.5	174.2	-178.9	177	0	111.9
625	S	31.3	Very low	30.3	Very low	119 Å²	119	154.9 Å²	154.9	83%	0.832	83%	0.834	S	S	*	*			trans	-167.4	156.8	137.5	51	0	0	0	0	111.3
626	D	30.7	Very low	30.4	Very low	157 Å²	157	157 Å²	157	84%	0.84	84%	0.836	S	S	*	*			trans	-79	162.7	-164.2	-58.7	-88.6	0	0	0	116.7
627	S	31.9	Very low	30.3	Very low	115 Å²	115	159.3 Å²	159.3	80%	0.804	84%	0.837	S	S	*	*			trans	65.6	90.8	140.5	-179.5	0	0	0	0	119.5
628	S	28.8	Very low	30.1	Very low	117 Å²	117	160.4 Å²	160.4	82%	0.818	84%	0.844	S	S	*	*				-148.5	128.2	127.4	61.1	0	0	0	0	111.8
629	R	32.8	Very low	30.1	Very low	215 Å²	215	161.8 Å²	161.8	81%	0.811	85%	0.85	S	S	*	*			trans	-95.2	122.4	167.3	171.3	178.1	172.3	167.8	-5.1	107.4	E631	R629-E631 IonicContact CZ-OE1 3.75Å; R629-E631 IonicContact NE-OE1 2.68Å; R629-E631 PolarHBondContact NE-OE1 3.29Å; R629-E631 IonicContact NH2-OE1 3.86Å; R629-E631 PolarHBondContact NH2-OE1 3.46Å
630	S	27.9	Very low	30	Very low	97 Å²	97	166.3 Å²	166.3	68%	0.678	86%	0.864	S	S	*	*			trans	-136.9	128.7	167.8	-67.5	0	0	0	0	108.1
631	E	28.7	Very low	30.1	Very low	139 Å²	139	164.1 Å²	164.1	65%	0.65	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-91.4	131.9	-175.6	-75	156.2	-163	0	0	110	R629	R629-E631 IonicContact CZ-OE1 3.75Å; R629-E631 IonicContact NE-OE1 2.68Å; R629-E631 PolarHBondContact NE-OE1 3.29Å; R629-E631 IonicContact NH2-OE1 3.86Å; R629-E631 PolarHBondContact NH2-OE1 3.46Å
632	Y	25.9	Very low	30.2	Very low	226 Å²	226	162.7 Å²	162.7	89%	0.886	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-87.3	123	173	-66	-90.5	0	0	0	109.3
633	L	28.1	Very low	30.1	Very low	167 Å²	167	166 Å²	166	87%	0.874	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-102.3	147.5	148.1	-80.9	111.2	0	0	0	108
634	C	31.4	Very low	30.3	Very low	208 Å²	208	159.8 Å²	159.8	100%	1.405	86%	0.86	S	S	*	*			trans	-71.8	0	-170.2	-53.3	0	0	0	0	113.7

Retrieved 634 of 634 residues in 606.2 ms (Link to these results)

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