A0A5K4FB24_SCHMA Loading...

WD repeat domain phosphoinositide-interacting protein 3

AlphaFold DB (A0A5K4FDA9), UniProt , Accession A0A5K4FB24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 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	93.8	Very high	87.3	Confident	35 Å²	35	46.5 Å²	46.5	17%	0.172	28%	0.28	C	S	.	.				0	126.6	0	172.7	-171.8	74.6	0	0	107.3	G19 F20 Y24 S290 I385 C386 A387	M1-G19 CarbonylContact O-C 3.57Å; M1-G19 WeakPolarHBondContact O-CA 3.07Å; M1-F20 HydrophobicContact CE-CD2 3.13Å; M1-F20 HydrophobicContact CE-CE2 3.4Å; M1-F20 VanDerWaalsContact CE-CE2 3.4Å; M1-F20 HydrophobicContact CE-CG 4.07Å; M1-F20 PolarHBondContact N-O 3.14Å; M1-F20 PolarHBondContact O-N 3.13Å; M1-Y24 HydrophobicContact CB-CE1 4.45Å; M1-S290 WeakPolarHBondContact SD-CB 3.41Å; M1-I385 HydrophobicContact CE-CB 4.32Å; M1-C386 VanDerWaalsContact CE-O 3.29Å; M1-C386 WeakPolarHBondContact CE-O 2.84Å; M1-A387 HydrophobicContact CE-CB 3.75Å
2	C	96.7	Very high	86.5	Confident	35 Å²	35	56.1 Å²	56.1	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166	-166.5	61.9	0	0	0	0	113.7	F17 V18	C2-F17 HydrophobicContact CB-CD2 4.46Å; C2-F17 HydrophobicContact CB-CE1 4.48Å; C2-F17 HydrophobicContact CB-CE2 3.36Å; C2-F17 HydrophobicContact CB-CZ 3.37Å; C2-V18 CarbonylContact C-O 3.55Å; C2-V18 VanDerWaalsContact CA-O 3.29Å; C2-V18 WeakPolarHBondContact CA-O 3.37Å; C2-V18 WeakPolarHBondContact CB-O 3.42Å
3	M	95	Very high	86.3	Confident	19 Å²	19	53.5 Å²	53.5	9%	0.094	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.9	166.8	63	-179.3	177.5	0	0	110.4	V5 V18 K383 I385 A401	M3-V5 HydrophobicContact CE-CG2 4.43Å; M3-V5 HydrophobicContact CG-CG2 4.36Å; M3-V18 HydrophobicContact CE-CB 3.77Å; M3-V18 HydrophobicContact CE-CG1 4.31Å; M3-V18 HydrophobicContact CE-CG2 3.84Å; M3-V18 HydrophobicContact CG-CB 4.16Å; M3-V18 PolarHBondContact N-O 3.43Å; M3-V18 PolarHBondContact O-N 3.17Å; M3-K383 HydrophobicContact SD-CB 4.26Å; M3-I385 HydrophobicContact CB-CG2 3.92Å; M3-I385 HydrophobicContact CE-CG1 4.48Å; M3-I385 HydrophobicContact CG-CD1 4.47Å; M3-I385 HydrophobicContact CG-CG2 4.01Å; M3-I385 HydrophobicContact SD-CG2 4.03Å; M3-A401 HydrophobicContact CE-CB 3.95Å; M3-A401 HydrophobicContact SD-CB 4.45Å
4	R	94.8	Very high	86.6	Confident	93 Å²	93	51.4 Å²	51.4	35%	0.351	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.3	161.7	-73	-173.4	173.7	96.8	-6.3	108.9	F17 G60 Y61 R108	R4-F17 HydrophobicContact CG-CD2 4.32Å; R4-G60 PolarHBondContact NE-O 2.72Å; R4-Y61 HydrophobicContact CG-CD2 4.35Å; R4-Y61 VanDerWaalsContact NH2-CG 3.3Å; R4-R108 PolarHBondContact NH1-O 2.9Å; R4-R108 PolarHBondContact NH2-O 3.47Å
5	V	93	Very high	87.2	Confident	8 Å²	8	48 Å²	48	5%	0.048	29%	0.29	C	S	.	.			trans	-115.7	118.9	-178.5	-176.8	0	0	0	0	107.1	M3 D9 I15 L16 V18 A401	M3-V5 HydrophobicContact CE-CG2 4.43Å; M3-V5 HydrophobicContact CG-CG2 4.36Å; V5-D9 HydrophobicContact CG1-CB 4.22Å; V5-I15 HydrophobicContact CB-CG2 4.16Å; V5-I15 HydrophobicContact CG2-CG2 3.86Å; V5-L16 PolarHBondContact N-O 2.96Å; V5-V18 HydrophobicContact CG2-CG2 4.49Å; V5-A401 HydrophobicContact CB-CB 4.44Å; V5-A401 HydrophobicContact CG1-CB 3.83Å; V5-A401 HydrophobicContact CG2-CB 3.71Å
6	S	87.1	Confident	87.7	Confident	43 Å²	43	45.5 Å²	45.5	30%	0.301	28%	0.275	S	S	.	.			trans	-71.7	153.9	171.2	57.2	0	0	0	0	109.3	T8 D9 S10	S6-T8 PolarHBondContact O-N 2.92Å; S6-T8 PolarHBondContact OG-OG1 2.73Å; S6-D9 PolarHBondContact O-N 3Å; S6-D9 WeakPolarHBondContact OG-CB 3.41Å; S6-D9 PolarHBondContact OG-N 2.97Å; S6-D9 PolarHBondContact OG-OD1 2.94Å; S6-D9 VanDerWaalsContact OG-OD1 3.13Å; S6-D9 PolarHBondContact OG-OD2 3.07Å; S6-S10 PolarHBondContact O-N 2.83Å
7	P	79.6	Confident	88.3	Confident	65 Å²	65	42.9 Å²	42.9	42%	0.422	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.3	176	-28.6	36	0	0	0	114	S10	P7-S10 PolarHBondContact O-OG 3.07Å; P7-S10 VanDerWaalsContact O-OG 3.13Å
8	T	81.5	Confident	88.8	Confident	120 Å²	120	40.6 Å²	40.6	74%	0.736	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.8	176.3	57.4	0	0	0	0	114	S6	S6-T8 PolarHBondContact O-N 2.92Å; S6-T8 PolarHBondContact OG-OG1 2.73Å
9	D	82.6	Confident	89.3	Confident	44 Å²	44	38.6 Å²	38.6	24%	0.235	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-7.7	-173.2	-67.6	9.6	0	0	0	111.8	V5 S6 G11 F382 K383	V5-D9 HydrophobicContact CG1-CB 4.22Å; S6-D9 PolarHBondContact O-N 3Å; S6-D9 WeakPolarHBondContact OG-CB 3.41Å; S6-D9 PolarHBondContact OG-N 2.97Å; S6-D9 PolarHBondContact OG-OD1 2.94Å; S6-D9 VanDerWaalsContact OG-OD1 3.13Å; S6-D9 PolarHBondContact OG-OD2 3.07Å; D9-G11 VanDerWaalsContact C-N 3.34Å; D9-G11 PolarHBondContact O-N 3.11Å; D9-F382 VanDerWaalsContact O-CD1 3.29Å; D9-F382 WeakPolarHBondContact O-CD1 3.44Å; D9-K383 IonicContact OD2-NZ 3.69Å; D9-K383 PolarHBondContact OD2-NZ 2.89Å
10	S	77.3	Confident	89.7	Confident	6 Å²	6	37.2 Å²	37.2	4%	0.042	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.9	-172.6	71.7	0	0	0	0	114.2	S6 P7 N12 S13 I15	S6-S10 PolarHBondContact O-N 2.83Å; P7-S10 PolarHBondContact O-OG 3.07Å; P7-S10 VanDerWaalsContact O-OG 3.13Å; S10-N12 PolarHBondContact O-N 3.42Å; S10-S13 WeakPolarHBondContact CB-OG 3.19Å; S10-S13 WeakPolarHBondContact O-CB 3.23Å; S10-S13 PolarHBondContact O-N 2.86Å; S10-S13 PolarHBondContact O-OG 3.41Å; S10-I15 WeakPolarHBondContact CB-O 3.38Å
11	G	78.4	Confident	90.1	Very high	43 Å²	43	35.6 Å²	35.6	44%	0.443	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	31.7	-175.5	0	0	0	0	0	113.4	D9 S13	D9-G11 VanDerWaalsContact C-N 3.34Å; D9-G11 PolarHBondContact O-N 3.11Å; G11-S13 PolarHBondContact O-N 2.91Å
12	N	78.4	Confident	90.3	Very high	162 Å²	162	35.1 Å²	35.1	87%	0.866	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	16.1	-173.2	-58.1	-28.1	0	0	0	115.2	S10 G14	S10-N12 PolarHBondContact O-N 3.42Å; N12-G14 PolarHBondContact O-N 3Å
13	S	83.4	Confident	90.2	Very high	22 Å²	22	36.6 Å²	36.6	15%	0.154	22%	0.217	C	C	.	.	S	Bend	trans	-72.3	-10	179.5	64.3	0	0	0	0	114.8	S10 G11 I15 A401	S10-S13 WeakPolarHBondContact CB-OG 3.19Å; S10-S13 WeakPolarHBondContact O-CB 3.23Å; S10-S13 PolarHBondContact O-N 2.86Å; S10-S13 PolarHBondContact O-OG 3.41Å; G11-S13 PolarHBondContact O-N 2.91Å; S13-I15 PolarHBondContact O-N 3.41Å; S13-I15 WeakPolarHBondContact OG-CB 3.16Å; S13-I15 VanDerWaalsContact OG-CG1 3.32Å; S13-I15 WeakPolarHBondContact OG-CG1 3.19Å; S13-I15 PolarHBondContact OG-N 3.47Å; S13-A401 PolarHBondContact OG-O 3.36Å
14	G	90.8	Very high	90.4	Very high	24 Å²	24	36.8 Å²	36.8	25%	0.247	22%	0.217	C	C	.	.			trans	71.3	2.1	-172.2	0	0	0	0	0	114.2	N12 M31 Q32	N12-G14 PolarHBondContact O-N 3Å; G14-M31 WeakPolarHBondContact O-CA 3.4Å; G14-Q32 PolarHBondContact O-N 3.47Å
15	I	95.3	Very high	90.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.5	176.1	-63.7	174.1	0	0	0	110.3	V5 S10 S13 V18 V29 F424 L425	V5-I15 HydrophobicContact CB-CG2 4.16Å; V5-I15 HydrophobicContact CG2-CG2 3.86Å; S10-I15 WeakPolarHBondContact CB-O 3.38Å; S13-I15 PolarHBondContact O-N 3.41Å; S13-I15 WeakPolarHBondContact OG-CB 3.16Å; S13-I15 VanDerWaalsContact OG-CG1 3.32Å; S13-I15 WeakPolarHBondContact OG-CG1 3.19Å; S13-I15 PolarHBondContact OG-N 3.47Å; I15-V18 HydrophobicContact CG2-CG2 3.6Å; I15-V29 HydrophobicContact CD1-CG1 4.28Å; I15-V29 HydrophobicContact CG1-CG1 3.91Å; I15-V29 HydrophobicContact CG2-CG1 4.14Å; I15-F424 HydrophobicContact CD1-CE2 3.95Å; I15-F424 HydrophobicContact CD1-CZ 3.91Å; I15-L425 HydrophobicContact CD1-CD1 3.89Å; I15-L425 HydrophobicContact CD1-CD2 4.45Å; I15-L425 HydrophobicContact CD1-CG 4.38Å; I15-L425 HydrophobicContact CG1-CD1 4.06Å
16	L	95.7	Very high	90.8	Very high	8 Å²	8	32 Å²	32	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-22.9	174	-63.9	175.8	0	0	0	112.5	V5 G30 Q32 V59 G76	V5-L16 PolarHBondContact N-O 2.96Å; L16-G30 PolarHBondContact N-O 2.82Å; L16-Q32 HydrophobicContact CD1-CG 4.4Å; L16-Q32 HydrophobicContact CD2-CG 4.5Å; L16-Q32 HydrophobicContact CG-CG 4.39Å; L16-V59 WeakPolarHBondContact CB-O 3.3Å; L16-G76 WeakPolarHBondContact CD1-O 3.37Å
17	F	97	Very high	91.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	142.6	-176.5	173.8	-91.3	0	0	0	110.9	C2 R4 A28 V29 G30 Y61 M62	C2-F17 HydrophobicContact CB-CD2 4.46Å; C2-F17 HydrophobicContact CB-CE1 4.48Å; C2-F17 HydrophobicContact CB-CE2 3.36Å; C2-F17 HydrophobicContact CB-CZ 3.37Å; R4-F17 HydrophobicContact CG-CD2 4.32Å; F17-A28 HydrophobicContact CE1-CB 4.47Å; F17-V29 CarbonylContact O-C 3.51Å; F17-V29 VanDerWaalsContact O-CA 3.28Å; F17-V29 WeakPolarHBondContact O-CA 3.33Å; F17-G30 PolarHBondContact N-O 3.25Å; F17-G30 VanDerWaalsContact N-O 3.15Å; F17-G30 PolarHBondContact O-N 2.99Å; F17-Y61 AromaticContact CD2-CD2 3.75Å; F17-Y61 HydrophobicContact CD2-CD2 3.75Å; F17-Y61 HydrophobicContact CD2-CE2 4.21Å; F17-Y61 HydrophobicContact CD2-CG 4.26Å; F17-Y61 AromaticContact CE2-CD2 3.48Å; F17-Y61 HydrophobicContact CE2-CD2 3.48Å; F17-Y61 VanDerWaalsContact CE2-CD2 3.48Å; F17-Y61 AromaticContact CE2-CE2 3.48Å; F17-Y61 HydrophobicContact CE2-CE2 3.48Å; F17-Y61 VanDerWaalsContact CE2-CE2 3.48Å; F17-Y61 HydrophobicContact CE2-CG 4.1Å; F17-Y61 AromaticContact CE2-CZ 3.99Å; F17-Y61 HydrophobicContact CZ-CD2 4.48Å; F17-Y61 HydrophobicContact CZ-CE2 4.31Å; F17-M62 HydrophobicContact CD1-CB 3.88Å; F17-M62 HydrophobicContact CD1-CG 4.14Å; F17-M62 HydrophobicContact CE1-CB 3.67Å; F17-M62 HydrophobicContact CE1-CG 4.43Å; F17-M62 WeakPolarHBondContact CE1-O 3.3Å; F17-M62 HydrophobicContact CZ-CB 4.37Å; F17-M62 WeakPolarHBondContact CZ-O 3.49Å
18	V	97.8	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.7	167.4	-174.6	0	0	0	0	108.9	C2 M3 V5 I15 A28 I385 L399	C2-V18 CarbonylContact C-O 3.55Å; C2-V18 VanDerWaalsContact CA-O 3.29Å; C2-V18 WeakPolarHBondContact CA-O 3.37Å; C2-V18 WeakPolarHBondContact CB-O 3.42Å; M3-V18 HydrophobicContact CE-CB 3.77Å; M3-V18 HydrophobicContact CE-CG1 4.31Å; M3-V18 HydrophobicContact CE-CG2 3.84Å; M3-V18 HydrophobicContact CG-CB 4.16Å; M3-V18 PolarHBondContact N-O 3.43Å; M3-V18 PolarHBondContact O-N 3.17Å; V5-V18 HydrophobicContact CG2-CG2 4.49Å; I15-V18 HydrophobicContact CG2-CG2 3.6Å; V18-A28 WeakPolarHBondContact CA-O 3.34Å; V18-I385 HydrophobicContact CG1-CD1 4.24Å; V18-L399 HydrophobicContact CG1-CB 3.82Å; V18-L399 HydrophobicContact CG1-CD1 3.79Å; V18-L399 HydrophobicContact CG1-CG 4.44Å
19	G	98.2	Very high	93	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	138.4	178.5	0	0	0	0	0	114.4	M1 F27 A28	M1-G19 CarbonylContact O-C 3.57Å; M1-G19 WeakPolarHBondContact O-CA 3.07Å; G19-F27 CarbonylContact O-C 3.52Å; G19-F27 WeakPolarHBondContact O-CA 3.47Å; G19-F27 WeakPolarHBondContact O-CB 3.08Å; G19-A28 PolarHBondContact N-O 2.78Å; G19-A28 PolarHBondContact O-N 2.67Å
20	F	98.5	Very high	93.6	Very high	10 Å²	10	19.1 Å²	19.1	4%	0.044	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	146.2	169	-64.7	-91.2	0	0	0	110.8	M1 Y24 C26 F27 C40 I385 A387 I397 L399	M1-F20 HydrophobicContact CE-CD2 3.13Å; M1-F20 HydrophobicContact CE-CE2 3.4Å; M1-F20 VanDerWaalsContact CE-CE2 3.4Å; M1-F20 HydrophobicContact CE-CG 4.07Å; M1-F20 PolarHBondContact N-O 3.14Å; M1-F20 PolarHBondContact O-N 3.13Å; F20-Y24 HydrophobicContact CB-CD1 3.83Å; F20-Y24 HydrophobicContact CG-CD1 4.28Å; F20-C26 WeakPolarHBondContact CA-O 3.44Å; F20-F27 HydrophobicContact CD1-CB 4.29Å; F20-C40 VanDerWaalsContact CD1-SG 3.57Å; F20-I385 HydrophobicContact CD2-CD1 3.74Å; F20-I385 HydrophobicContact CD2-CG1 4.26Å; F20-I385 HydrophobicContact CE2-CB 4.49Å; F20-I385 HydrophobicContact CE2-CD1 3.85Å; F20-I385 HydrophobicContact CE2-CG1 3.85Å; F20-A387 HydrophobicContact CD1-CB 4.13Å; F20-A387 HydrophobicContact CD2-CB 4.14Å; F20-A387 HydrophobicContact CE1-CB 3.9Å; F20-A387 HydrophobicContact CE2-CB 3.87Å; F20-A387 HydrophobicContact CG-CB 4.23Å; F20-A387 HydrophobicContact CZ-CB 3.75Å; F20-I397 HydrophobicContact CE1-CB 4.37Å; F20-I397 HydrophobicContact CE1-CG2 4.08Å; F20-I397 HydrophobicContact CZ-CB 4.35Å; F20-I397 HydrophobicContact CZ-CG2 4.09Å; F20-L399 HydrophobicContact CD1-CD1 4.25Å; F20-L399 HydrophobicContact CD2-CD1 4.11Å; F20-L399 HydrophobicContact CE1-CD1 3.77Å; F20-L399 HydrophobicContact CE1-CG 4.25Å; F20-L399 HydrophobicContact CE2-CD1 3.65Å; F20-L399 HydrophobicContact CE2-CG 4.04Å; F20-L399 HydrophobicContact CG-CD1 4.42Å; F20-L399 HydrophobicContact CZ-CD1 3.46Å; F20-L399 VanDerWaalsContact CZ-CD1 3.46Å; F20-L399 HydrophobicContact CZ-CG 3.64Å
21	N	97.9	Very high	94.4	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	12%	0.12	C	C	.	.			trans	-67.6	-178.1	164	77.2	-20.9	0	0	0	111.1	D23 Y24 G25 C26 M64 F66	N21-D23 VanDerWaalsContact C-N 3.34Å; N21-D23 PolarHBondContact ND2-OD1 3.29Å; N21-D23 PolarHBondContact O-N 3.27Å; N21-D23 PolarHBondContact OD1-OD1 3.02Å; N21-Y24 PolarHBondContact O-N 2.87Å; N21-Y24 WeakPolarHBondContact OD1-CA 3.08Å; N21-Y24 PolarHBondContact OD1-N 3.37Å; N21-Y24 VanDerWaalsContact OD1-N 3.13Å; N21-G25 PolarHBondContact OD1-N 2.81Å; N21-C26 HydrophobicContact CB-CB 4.46Å; N21-C26 PolarHBondContact N-O 3.16Å; N21-C26 PolarHBondContact OD1-N 3.01Å; N21-C26 PolarHBondContact OD1-O 3.23Å; N21-M64 HydrophobicContact CB-CB 3.88Å; N21-M64 HydrophobicContact CB-CE 4.39Å; N21-M64 HydrophobicContact CB-CG 4.44Å; N21-M64 HydrophobicContact CB-SD 3.87Å; N21-F66 PolarHBondContact ND2-O 3.27Å
22	Q	97	Very high	95	Very high	25 Å²	25	19.5 Å²	19.5	12%	0.117	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-26.9	-167.3	-61.1	90.5	-26	0	0	114.4	M64 F66 Q154	Q22-M64 PolarHBondContact NE2-O 3.21Å; Q22-M64 PolarHBondContact OE1-O 2.77Å; Q22-F66 HydrophobicContact CB-CD1 4.18Å; Q22-F66 HydrophobicContact CB-CE1 3.87Å; Q22-F66 HydrophobicContact CB-CZ 4.18Å; Q22-Q154 HydrophobicContact CB-CG 3.85Å; Q22-Q154 HydrophobicContact CG-CG 3.66Å
23	D	96	Very high	95.6	Very high	66 Å²	66	14.6 Å²	14.6	35%	0.353	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	5.4	-179.8	65.8	0.3	0	0	0	113.7	N21 G25 F66	N21-D23 VanDerWaalsContact C-N 3.34Å; N21-D23 PolarHBondContact ND2-OD1 3.29Å; N21-D23 PolarHBondContact O-N 3.27Å; N21-D23 PolarHBondContact OD1-OD1 3.02Å; D23-G25 PolarHBondContact O-N 2.89Å; D23-G25 VanDerWaalsContact O-N 3.16Å; D23-G25 PolarHBondContact OD1-N 2.92Å; D23-F66 HydrophobicContact CB-CE1 4.46Å
24	Y	97.9	Very high	96.1	Very high	23 Å²	23	13.6 Å²	13.6	9%	0.09	8%	0.075	C	C	.	.	S	Bend	trans	58.8	19	-175.9	-42.1	-43.7	0	0	0	114.1	M1 F20 N21 C40 F293 A387	M1-Y24 HydrophobicContact CB-CE1 4.45Å; F20-Y24 HydrophobicContact CB-CD1 3.83Å; F20-Y24 HydrophobicContact CG-CD1 4.28Å; N21-Y24 PolarHBondContact O-N 2.87Å; N21-Y24 WeakPolarHBondContact OD1-CA 3.08Å; N21-Y24 PolarHBondContact OD1-N 3.37Å; N21-Y24 VanDerWaalsContact OD1-N 3.13Å; Y24-C40 WeakPolarHBondContact O-CB 3.46Å; Y24-C40 PolarHBondContact O-SG 3.43Å; Y24-F293 WeakPolarHBondContact CE2-O 3.32Å; Y24-A387 HydrophobicContact CD1-CB 3.86Å; Y24-A387 HydrophobicContact CD2-CB 3.91Å; Y24-A387 HydrophobicContact CE1-CB 4.31Å; Y24-A387 HydrophobicContact CE2-CB 4.36Å; Y24-A387 HydrophobicContact CG-CB 3.64Å
25	G	97.8	Very high	96.3	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	6%	0.063	C	C	.	.	S	Bend	trans	-79.5	-26.1	175.5	0	0	0	0	0	113.3	N21 D23 N39 C40 R67	N21-G25 PolarHBondContact OD1-N 2.81Å; D23-G25 PolarHBondContact O-N 2.89Å; D23-G25 VanDerWaalsContact O-N 3.16Å; D23-G25 PolarHBondContact OD1-N 2.92Å; G25-N39 PolarHBondContact O-OD1 2.94Å; G25-C40 WeakPolarHBondContact O-CB 3.32Å; G25-C40 PolarHBondContact O-N 2.94Å; G25-R67 PolarHBondContact O-NH2 3.04Å
26	C	98.2	Very high	96.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.8	178.4	-62.8	0	0	0	0	111.4	F20 N21 F38 C40 M64	F20-C26 WeakPolarHBondContact CA-O 3.44Å; N21-C26 HydrophobicContact CB-CB 4.46Å; N21-C26 PolarHBondContact N-O 3.16Å; N21-C26 PolarHBondContact OD1-N 3.01Å; N21-C26 PolarHBondContact OD1-O 3.23Å; C26-F38 CarbonylContact C-O 3.57Å; C26-F38 WeakPolarHBondContact CA-O 3.45Å; C26-F38 VanDerWaalsContact CB-O 3.27Å; C26-F38 WeakPolarHBondContact CB-O 3.35Å; C26-C40 VanDerWaalsContact CA-SG 3.59Å; C26-M64 HydrophobicContact CB-CE 3.6Å; C26-M64 HydrophobicContact CB-SD 4.02Å
27	F	98.4	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150	166.8	68.4	-85	0	0	0	111.6	G19 F20 V29 F38 L43 L399 Y405 F424	G19-F27 CarbonylContact O-C 3.52Å; G19-F27 WeakPolarHBondContact O-CA 3.47Å; G19-F27 WeakPolarHBondContact O-CB 3.08Å; F20-F27 HydrophobicContact CD1-CB 4.29Å; F27-V29 HydrophobicContact CD2-CG2 3.85Å; F27-V29 HydrophobicContact CE2-CG2 3.82Å; F27-F38 HydrophobicContact CD1-CB 3.77Å; F27-F38 HydrophobicContact CD2-CB 4.28Å; F27-F38 AromaticContact CD2-CD2 3.99Å; F27-F38 HydrophobicContact CD2-CD2 3.99Å; F27-F38 HydrophobicContact CD2-CG 4.48Å; F27-F38 HydrophobicContact CE1-CB 3.31Å; F27-F38 HydrophobicContact CE1-CD2 4.43Å; F27-F38 HydrophobicContact CE1-CG 4Å; F27-F38 HydrophobicContact CE2-CB 3.84Å; F27-F38 AromaticContact CE2-CD2 3.37Å; F27-F38 HydrophobicContact CE2-CD2 3.37Å; F27-F38 HydrophobicContact CE2-CE2 4.06Å; F27-F38 AromaticContact CE2-CG 3.74Å; F27-F38 HydrophobicContact CE2-CG 3.74Å; F27-F38 HydrophobicContact CG-CB 4.26Å; F27-F38 HydrophobicContact CZ-CB 3.35Å; F27-F38 HydrophobicContact CZ-CD1 4.18Å; F27-F38 AromaticContact CZ-CD2 3.65Å; F27-F38 HydrophobicContact CZ-CD2 3.65Å; F27-F38 HydrophobicContact CZ-CE2 4.47Å; F27-F38 AromaticContact CZ-CG 3.48Å; F27-F38 HydrophobicContact CZ-CG 3.48Å; F27-F38 VanDerWaalsContact CZ-CG 3.48Å; F27-F38 PolarHBondContact N-O 3Å; F27-F38 PolarHBondContact O-N 2.82Å; F27-L43 HydrophobicContact CE1-CD1 3.64Å; F27-L43 HydrophobicContact CZ-CD1 3.71Å; F27-L399 HydrophobicContact CB-CD1 3.57Å; F27-L399 HydrophobicContact CD1-CD1 4.03Å; F27-L399 HydrophobicContact CD1-CD2 4.22Å; F27-L399 HydrophobicContact CD2-CD1 3.7Å; F27-L399 HydrophobicContact CD2-CD2 4.28Å; F27-L399 HydrophobicContact CE1-CD2 4.02Å; F27-L399 HydrophobicContact CE2-CD1 4.34Å; F27-L399 HydrophobicContact CE2-CD2 4.1Å; F27-L399 HydrophobicContact CG-CD1 3.5Å; F27-L399 HydrophobicContact CG-CD2 4.32Å; F27-L399 HydrophobicContact CZ-CD2 3.96Å; F27-Y405 HydrophobicContact CE1-CD2 4.46Å; F27-F424 HydrophobicContact CE2-CD1 4.23Å; F27-F424 HydrophobicContact CE2-CD2 4.25Å; F27-F424 HydrophobicContact CE2-CE1 4.37Å; F27-F424 HydrophobicContact CE2-CE2 4.42Å; F27-F424 HydrophobicContact CE2-CG 4.16Å; F27-F424 HydrophobicContact CE2-CZ 4.46Å; F27-F424 HydrophobicContact CZ-CB 4.36Å; F27-F424 HydrophobicContact CZ-CD1 4.27Å; F27-F424 HydrophobicContact CZ-CG 4.18Å
28	A	98.2	Very high	96.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145	176.9	0	0	0	0	0	110.3	F17 V18 G19 R36 I37 M62 M64	F17-A28 HydrophobicContact CE1-CB 4.47Å; V18-A28 WeakPolarHBondContact CA-O 3.34Å; G19-A28 PolarHBondContact N-O 2.78Å; G19-A28 PolarHBondContact O-N 2.67Å; A28-R36 WeakPolarHBondContact CA-O 3.38Å; A28-I37 HydrophobicContact CB-CD1 3.46Å; A28-I37 VanDerWaalsContact CB-CD1 3.46Å; A28-M62 HydrophobicContact CB-CB 4.19Å; A28-M62 HydrophobicContact CB-CE 4.12Å; A28-M62 HydrophobicContact CB-SD 3.98Å; A28-M64 HydrophobicContact CB-CG 3.96Å; A28-M64 HydrophobicContact CB-SD 3.91Å
29	V	97.6	Very high	96.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.7	176.8	-175.3	0	0	0	0	108.1	I15 F17 F27 M31 F35 R36 F38 F424	I15-V29 HydrophobicContact CD1-CG1 4.28Å; I15-V29 HydrophobicContact CG1-CG1 3.91Å; I15-V29 HydrophobicContact CG2-CG1 4.14Å; F17-V29 CarbonylContact O-C 3.51Å; F17-V29 VanDerWaalsContact O-CA 3.28Å; F17-V29 WeakPolarHBondContact O-CA 3.33Å; F27-V29 HydrophobicContact CD2-CG2 3.85Å; F27-V29 HydrophobicContact CE2-CG2 3.82Å; V29-M31 HydrophobicContact CG1-CG 4Å; V29-F35 CarbonylContact O-C 3.53Å; V29-F35 WeakPolarHBondContact O-CA 3.39Å; V29-F35 WeakPolarHBondContact O-CB 3.45Å; V29-R36 HydrophobicContact CB-CB 4.48Å; V29-R36 PolarHBondContact N-O 2.94Å; V29-R36 PolarHBondContact O-N 2.86Å; V29-F38 HydrophobicContact CB-CE2 4.49Å; V29-F38 HydrophobicContact CG2-CD2 4.14Å; V29-F38 HydrophobicContact CG2-CE2 3.87Å; V29-F424 HydrophobicContact CG1-CE2 4.22Å; V29-F424 HydrophobicContact CG2-CD2 4.28Å; V29-F424 HydrophobicContact CG2-CE2 3.63Å; V29-F424 HydrophobicContact CG2-CZ 4.14Å
30	G	96.3	Very high	96.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.2	170.8	0	0	0	0	0	109.9	L16 F17 V59	L16-G30 PolarHBondContact N-O 2.82Å; F17-G30 PolarHBondContact N-O 3.25Å; F17-G30 VanDerWaalsContact N-O 3.15Å; F17-G30 PolarHBondContact O-N 2.99Å; G30-V59 CarbonylContact C-O 3.6Å; G30-V59 VanDerWaalsContact CA-O 3.3Å; G30-V59 WeakPolarHBondContact CA-O 3.38Å
31	M	94.3	Very high	96.3	Very high	15 Å²	15	14.5 Å²	14.5	7%	0.074	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	169	-171.8	-56.5	-176	72.9	0	0	111	G14 V29 N33 G34 R36 G58 V59 L425	G14-M31 WeakPolarHBondContact O-CA 3.4Å; V29-M31 HydrophobicContact CG1-CG 4Å; M31-N33 PolarHBondContact O-N 3.3Å; M31-G34 WeakPolarHBondContact CA-O 3.47Å; M31-G34 WeakPolarHBondContact CB-O 3.3Å; M31-G34 PolarHBondContact N-O 3.23Å; M31-R36 HydrophobicContact SD-CG 3.88Å; M31-G58 CarbonylContact O-C 3.53Å; M31-G58 WeakPolarHBondContact O-CA 3.29Å; M31-V59 PolarHBondContact O-N 2.85Å; M31-L425 HydrophobicContact CE-CD2 3.97Å; M31-L425 HydrophobicContact SD-CD2 4.38Å
32	Q	91.3	Very high	96.2	Very high	41 Å²	41	18.8 Å²	18.8	19%	0.192	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.9	178.3	-68.7	-74.5	6.1	0	0	114.5	G14 L16 G58 G77	G14-Q32 PolarHBondContact O-N 3.47Å; L16-Q32 HydrophobicContact CD1-CG 4.4Å; L16-Q32 HydrophobicContact CD2-CG 4.5Å; L16-Q32 HydrophobicContact CG-CG 4.39Å; Q32-G58 VanDerWaalsContact O-CA 3.22Å; Q32-G58 WeakPolarHBondContact O-CA 3.4Å; Q32-G58 PolarHBondContact O-N 3.46Å; Q32-G77 VanDerWaalsContact OE1-CA 3.23Å
33	N	90.3	Very high	96.2	Very high	60 Å²	60	19.1 Å²	19.1	32%	0.321	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	3.1	-176.9	65.5	-25.6	0	0	0	114	M31 E50 F51 T57	M31-N33 PolarHBondContact O-N 3.3Å; N33-E50 PolarHBondContact ND2-OE1 3.19Å; N33-E50 PolarHBondContact ND2-OE2 2.86Å; N33-E50 WeakPolarHBondContact O-CA 3.34Å; N33-F51 PolarHBondContact O-N 3.35Å; N33-T57 PolarHBondContact O-OG1 3.46Å
34	G	93.5	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-140	-177.2	0	0	0	0	0	112.9	M31 Y49 V59	M31-G34 WeakPolarHBondContact CA-O 3.47Å; M31-G34 WeakPolarHBondContact CB-O 3.3Å; M31-G34 PolarHBondContact N-O 3.23Å; G34-Y49 CarbonylContact C-O 3.56Å; G34-Y49 WeakPolarHBondContact CA-O 3.37Å; G34-V59 WeakPolarHBondContact O-CB 3.47Å; G34-V59 WeakPolarHBondContact O-CG2 3.32Å
35	F	95.1	Very high	96.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	164.1	-177.6	64.3	-93	0	0	0	113.5	V29 I37 E47 Y49 F51 V59 M62 L71 I73 W90	V29-F35 CarbonylContact O-C 3.53Å; V29-F35 WeakPolarHBondContact O-CA 3.39Å; V29-F35 WeakPolarHBondContact O-CB 3.45Å; F35-I37 HydrophobicContact CD2-CD1 4.34Å; F35-I37 HydrophobicContact CD2-CG1 4.22Å; F35-I37 HydrophobicContact CE2-CG1 4.34Å; F35-E47 HydrophobicContact CE2-CG 4.37Å; F35-Y49 AromaticContact CE1-CD1 3.88Å; F35-Y49 HydrophobicContact CE1-CD1 3.88Å; F35-Y49 HydrophobicContact CE1-CG 4Å; F35-Y49 VanDerWaalsContact CZ-CB 3.45Å; F35-Y49 HydrophobicContact CZ-CD1 4.35Å; F35-Y49 HydrophobicContact CZ-CG 4.01Å; F35-Y49 PolarHBondContact N-O 2.97Å; F35-Y49 PolarHBondContact O-N 3.29Å; F35-F51 HydrophobicContact CD1-CE2 4.06Å; F35-F51 HydrophobicContact CD1-CZ 4.38Å; F35-F51 HydrophobicContact CE1-CE2 4.2Å; F35-F51 HydrophobicContact CE1-CZ 4.16Å; F35-V59 HydrophobicContact CB-CG2 4.43Å; F35-V59 HydrophobicContact CD1-CG2 4.31Å; F35-M62 HydrophobicContact CB-CE 3.52Å; F35-M62 HydrophobicContact CB-SD 3.44Å; F35-M62 WeakPolarHBondContact CB-SD 3.29Å; F35-M62 HydrophobicContact CD1-CE 4.22Å; F35-M62 HydrophobicContact CD2-CE 3.56Å; F35-M62 HydrophobicContact CE2-CE 4.32Å; F35-M62 HydrophobicContact CG-CE 3.5Å; F35-M62 VanDerWaalsContact CG-CE 3.5Å; F35-M62 HydrophobicContact CG-SD 4.13Å; F35-L71 HydrophobicContact CD2-CD1 4.29Å; F35-L71 HydrophobicContact CE2-CD1 3.69Å; F35-L71 HydrophobicContact CZ-CD1 3.92Å; F35-I73 HydrophobicContact CD1-CD1 4.29Å; F35-I73 HydrophobicContact CE1-CD1 4.14Å; F35-W90 AromaticContact CZ-NE1 3.63Å
36	R	96.5	Very high	95.9	Very high	20 Å²	20	27.3 Å²	27.3	8%	0.075	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.7	172.6	-61.1	-178.5	-175.6	-162.7	6.9	110.5	A28 V29 M31 F38 E47 R48 L425	A28-R36 WeakPolarHBondContact CA-O 3.38Å; V29-R36 HydrophobicContact CB-CB 4.48Å; V29-R36 PolarHBondContact N-O 2.94Å; V29-R36 PolarHBondContact O-N 2.86Å; M31-R36 HydrophobicContact SD-CG 3.88Å; R36-F38 HydrophobicContact CB-CD2 4.3Å; R36-F38 HydrophobicContact CB-CE2 3.45Å; R36-F38 VanDerWaalsContact CB-CE2 3.45Å; R36-F38 HydrophobicContact CB-CZ 3.9Å; R36-F38 HydrophobicContact CG-CE2 4.48Å; R36-E47 CarbonylContact C-O 3.57Å; R36-E47 VanDerWaalsContact CA-O 3.29Å; R36-E47 WeakPolarHBondContact CA-O 3.18Å; R36-R48 HydrophobicContact CG-CB 4.32Å; R36-R48 HydrophobicContact CG-CG 4.18Å; R36-L425 PolarHBondContact NH1-O 2.8Å; R36-L425 VanDerWaalsContact NH1-O 3.14Å
37	I	97.4	Very high	95.7	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.7	174.5	-53.4	-63.1	0	0	0	108.6	A28 F35 L46 E47 M62 M64 L71	A28-I37 HydrophobicContact CB-CD1 3.46Å; A28-I37 VanDerWaalsContact CB-CD1 3.46Å; F35-I37 HydrophobicContact CD2-CD1 4.34Å; F35-I37 HydrophobicContact CD2-CG1 4.22Å; F35-I37 HydrophobicContact CE2-CG1 4.34Å; I37-L46 HydrophobicContact CG2-CB 4.42Å; I37-L46 HydrophobicContact CG2-CD1 4.36Å; I37-L46 PolarHBondContact O-N 2.84Å; I37-E47 HydrophobicContact CB-CB 4.02Å; I37-E47 HydrophobicContact CG1-CB 4.15Å; I37-E47 PolarHBondContact N-O 2.82Å; I37-E47 PolarHBondContact O-N 3.42Å; I37-M62 HydrophobicContact CD1-CE 3.86Å; I37-M64 HydrophobicContact CD1-CE 4.45Å; I37-M64 HydrophobicContact CD1-CG 4.37Å; I37-M64 HydrophobicContact CD1-SD 4.22Å; I37-M64 HydrophobicContact CG2-CE 3.57Å; I37-M64 HydrophobicContact CG2-SD 4.22Å; I37-L71 HydrophobicContact CD1-CD1 4.36Å; I37-L71 HydrophobicContact CD1-CD2 4.32Å
38	F	97.8	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.3	-179.1	-61.3	-96.8	0	0	0	111.1	C26 F27 V29 R36 L43 K44 Q45 F424 F427	C26-F38 CarbonylContact C-O 3.57Å; C26-F38 WeakPolarHBondContact CA-O 3.45Å; C26-F38 VanDerWaalsContact CB-O 3.27Å; C26-F38 WeakPolarHBondContact CB-O 3.35Å; F27-F38 HydrophobicContact CD1-CB 3.77Å; F27-F38 HydrophobicContact CD2-CB 4.28Å; F27-F38 AromaticContact CD2-CD2 3.99Å; F27-F38 HydrophobicContact CD2-CD2 3.99Å; F27-F38 HydrophobicContact CD2-CG 4.48Å; F27-F38 HydrophobicContact CE1-CB 3.31Å; F27-F38 HydrophobicContact CE1-CD2 4.43Å; F27-F38 HydrophobicContact CE1-CG 4Å; F27-F38 HydrophobicContact CE2-CB 3.84Å; F27-F38 AromaticContact CE2-CD2 3.37Å; F27-F38 HydrophobicContact CE2-CD2 3.37Å; F27-F38 HydrophobicContact CE2-CE2 4.06Å; F27-F38 AromaticContact CE2-CG 3.74Å; F27-F38 HydrophobicContact CE2-CG 3.74Å; F27-F38 HydrophobicContact CG-CB 4.26Å; F27-F38 HydrophobicContact CZ-CB 3.35Å; F27-F38 HydrophobicContact CZ-CD1 4.18Å; F27-F38 AromaticContact CZ-CD2 3.65Å; F27-F38 HydrophobicContact CZ-CD2 3.65Å; F27-F38 HydrophobicContact CZ-CE2 4.47Å; F27-F38 AromaticContact CZ-CG 3.48Å; F27-F38 HydrophobicContact CZ-CG 3.48Å; F27-F38 VanDerWaalsContact CZ-CG 3.48Å; F27-F38 PolarHBondContact N-O 3Å; F27-F38 PolarHBondContact O-N 2.82Å; V29-F38 HydrophobicContact CB-CE2 4.49Å; V29-F38 HydrophobicContact CG2-CD2 4.14Å; V29-F38 HydrophobicContact CG2-CE2 3.87Å; R36-F38 HydrophobicContact CB-CD2 4.3Å; R36-F38 HydrophobicContact CB-CE2 3.45Å; R36-F38 VanDerWaalsContact CB-CE2 3.45Å; R36-F38 HydrophobicContact CB-CZ 3.9Å; R36-F38 HydrophobicContact CG-CE2 4.48Å; F38-L43 HydrophobicContact CB-CD1 4.39Å; F38-L43 HydrophobicContact CD1-CD1 4.27Å; F38-K44 CarbonylContact C-O 3.58Å; F38-K44 VanDerWaalsContact CA-O 3.23Å; F38-K44 WeakPolarHBondContact CA-O 3.31Å; F38-Q45 HydrophobicContact CD1-CB 3.81Å; F38-Q45 HydrophobicContact CD1-CG 4.18Å; F38-Q45 HydrophobicContact CE1-CB 3.65Å; F38-Q45 HydrophobicContact CE1-CG 3.79Å; F38-Q45 HydrophobicContact CZ-CG 4.2Å; F38-F424 HydrophobicContact CE1-CB 4.23Å; F38-F424 WeakPolarHBondContact CE1-O 3.38Å; F38-F424 HydrophobicContact CE2-CD2 4.06Å; F38-F424 HydrophobicContact CZ-CB 4.36Å; F38-F424 HydrophobicContact CZ-CD2 4.04Å; F38-F424 VanDerWaalsContact CZ-O 3.23Å; F38-F424 WeakPolarHBondContact CZ-O 3.36Å; F38-F427 AromaticContact CE1-CD2 3.96Å; F38-F427 HydrophobicContact CE1-CD2 3.96Å; F38-F427 HydrophobicContact CE1-CE2 4.26Å
39	N	97.4	Very high	95.3	Very high	21 Å²	21	36.6 Å²	36.6	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.5	157.7	-164.2	53.4	0	0	0	108.6	G25 P42 L43 K44 L46 R67	G25-N39 PolarHBondContact O-OD1 2.94Å; N39-P42 PolarHBondContact ND2-O 3.39Å; N39-L43 WeakPolarHBondContact O-CA 3.29Å; N39-K44 HydrophobicContact CB-CB 4.22Å; N39-K44 PolarHBondContact N-O 2.81Å; N39-K44 PolarHBondContact O-N 2.81Å; N39-L46 HydrophobicContact CB-CD1 4.17Å; N39-L46 HydrophobicContact CB-CD2 4.26Å; N39-L46 HydrophobicContact CB-CG 4.24Å; N39-R67 PolarHBondContact OD1-NH1 3.32Å; N39-R67 PolarHBondContact OD1-NH2 3.45Å
40	C	97.1	Very high	95.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-53.8	-178.8	-74.9	0	0	0	0	112.5	F20 Y24 G25 C26 L43 Y405	F20-C40 VanDerWaalsContact CD1-SG 3.57Å; Y24-C40 WeakPolarHBondContact O-CB 3.46Å; Y24-C40 PolarHBondContact O-SG 3.43Å; G25-C40 WeakPolarHBondContact O-CB 3.32Å; G25-C40 PolarHBondContact O-N 2.94Å; C26-C40 VanDerWaalsContact CA-SG 3.59Å; C40-L43 PolarHBondContact O-N 2.83Å; C40-Y405 WeakPolarHBondContact O-CE2 3.42Å; C40-Y405 PolarHBondContact O-OH 3.13Å
41	D	95.9	Very high	94.7	Very high	16 Å²	16	41.9 Å²	41.9	9%	0.086	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.5	108.3	-171.5	-167.4	10.1	0	0	0	109.8	S389 V391 K407	D41-S389 PolarHBondContact OD2-OG 2.79Å; D41-V391 HydrophobicContact CB-CG2 4.05Å; D41-V391 WeakPolarHBondContact OD2-CG2 3.46Å; D41-K407 VanDerWaalsContact CG-NZ 3.27Å; D41-K407 IonicContact OD1-NZ 2.71Å; D41-K407 PolarHBondContact OD1-NZ 2.74Å; D41-K407 WeakPolarHBondContact OD2-CE 3.39Å; D41-K407 IonicContact OD2-NZ 2.73Å; D41-K407 PolarHBondContact OD2-NZ 3.15Å
42	P	95.8	Very high	94.3	Very high	94 Å²	94	45.1 Å²	45.1	61%	0.61	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	cis	-67.4	147.9	-1.9	30	-35.9	0	0	0	112.4	N39 K44	N39-P42 PolarHBondContact ND2-O 3.39Å; P42-K44 PolarHBondContact O-N 3.42Å
43	L	96.7	Very high	93.7	Very high	33 Å²	33	50.7 Å²	50.7	17%	0.173	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	120.6	176.5	178.6	64.9	0	0	0	110.1	F27 F38 N39 C40 Y405 V422 F424 F427	F27-L43 HydrophobicContact CE1-CD1 3.64Å; F27-L43 HydrophobicContact CZ-CD1 3.71Å; F38-L43 HydrophobicContact CB-CD1 4.39Å; F38-L43 HydrophobicContact CD1-CD1 4.27Å; N39-L43 WeakPolarHBondContact O-CA 3.29Å; C40-L43 PolarHBondContact O-N 2.83Å; L43-Y405 HydrophobicContact CB-CE1 4.37Å; L43-Y405 HydrophobicContact CB-CE2 4.35Å; L43-Y405 HydrophobicContact CD1-CD2 3.94Å; L43-Y405 HydrophobicContact CD1-CE2 4.11Å; L43-Y405 HydrophobicContact CD1-CG 4.43Å; L43-Y405 HydrophobicContact CD2-CD1 3.9Å; L43-Y405 HydrophobicContact CD2-CD2 4.17Å; L43-Y405 HydrophobicContact CD2-CE1 4.33Å; L43-Y405 HydrophobicContact CD2-CG 3.84Å; L43-V422 HydrophobicContact CD2-CB 3.91Å; L43-V422 HydrophobicContact CD2-CG1 3.88Å; L43-V422 HydrophobicContact CD2-CG2 4.36Å; L43-F424 HydrophobicContact CD1-CB 4.48Å; L43-F424 HydrophobicContact CD2-CB 4.45Å; L43-F427 HydrophobicContact CD2-CE2 3.81Å; L43-F427 HydrophobicContact CD2-CZ 3.77Å; L43-F427 HydrophobicContact CG-CE2 3.97Å; L43-F427 HydrophobicContact CG-CZ 3.85Å
44	K	95.5	Very high	93.1	Very high	136 Å²	136	57.2 Å²	57.2	59%	0.591	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.9	132	177.3	180	176.1	179.4	176.5	0	110.2	F38 N39 P42 L46	F38-K44 CarbonylContact C-O 3.58Å; F38-K44 VanDerWaalsContact CA-O 3.23Å; F38-K44 WeakPolarHBondContact CA-O 3.31Å; N39-K44 HydrophobicContact CB-CB 4.22Å; N39-K44 PolarHBondContact N-O 2.81Å; N39-K44 PolarHBondContact O-N 2.81Å; P42-K44 PolarHBondContact O-N 3.42Å; K44-L46 PolarHBondContact O-N 3.01Å
45	Q	96.2	Very high	92.1	Very high	37 Å²	37	61.9 Å²	61.9	17%	0.173	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.3	169.9	-167.9	170.7	-86.7	0	0	109.4	F38	F38-Q45 HydrophobicContact CD1-CB 3.81Å; F38-Q45 HydrophobicContact CD1-CG 4.18Å; F38-Q45 HydrophobicContact CE1-CB 3.65Å; F38-Q45 HydrophobicContact CE1-CG 3.79Å; F38-Q45 HydrophobicContact CZ-CG 4.2Å
46	L	94.8	Very high	90.6	Very high	89 Å²	89	62 Å²	62	47%	0.466	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-37.9	179.2	-62.2	178.4	0	0	0	111.5	I37 N39 K44	I37-L46 HydrophobicContact CG2-CB 4.42Å; I37-L46 HydrophobicContact CG2-CD1 4.36Å; I37-L46 PolarHBondContact O-N 2.84Å; N39-L46 HydrophobicContact CB-CD1 4.17Å; N39-L46 HydrophobicContact CB-CD2 4.26Å; N39-L46 HydrophobicContact CB-CG 4.24Å; K44-L46 PolarHBondContact O-N 3.01Å
47	E	94.4	Very high	89.3	Confident	53 Å²	53	61.6 Å²	61.6	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.2	-177.2	-167.4	174.5	172.4	0	0	109.7	F35 R36 I37	F35-E47 HydrophobicContact CE2-CG 4.37Å; R36-E47 CarbonylContact C-O 3.57Å; R36-E47 VanDerWaalsContact CA-O 3.29Å; R36-E47 WeakPolarHBondContact CA-O 3.18Å; I37-E47 HydrophobicContact CB-CB 4.02Å; I37-E47 HydrophobicContact CG1-CB 4.15Å; I37-E47 PolarHBondContact N-O 2.82Å; I37-E47 PolarHBondContact O-N 3.42Å
48	R	94.2	Very high	88.9	Confident	96 Å²	96	61.2 Å²	61.2	36%	0.362	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.5	167.3	174.4	179.4	-179.2	-175.8	0.1	106.5	R36 E50 D429	R36-R48 HydrophobicContact CG-CB 4.32Å; R36-R48 HydrophobicContact CG-CG 4.18Å; R48-E50 HydrophobicContact CG-CG 4.49Å; R48-E50 IonicContact CZ-OE1 2.69Å; R48-E50 IonicContact NE-OE1 3.22Å; R48-E50 PolarHBondContact NE-OE1 2.82Å; R48-E50 IonicContact NH2-OE1 3.41Å; R48-E50 PolarHBondContact NH2-OE1 2.82Å; R48-D429 IonicContact NH1-OD2 3.21Å; R48-D429 PolarHBondContact NH1-OD2 2.88Å
49	Y	93.6	Very high	88.8	Confident	48 Å²	48	61.2 Å²	61.2	19%	0.188	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.2	176.5	-166.8	-89.4	0	0	0	108.9	G34 F35 F51 W90 Q95	G34-Y49 CarbonylContact C-O 3.56Å; G34-Y49 WeakPolarHBondContact CA-O 3.37Å; F35-Y49 AromaticContact CE1-CD1 3.88Å; F35-Y49 HydrophobicContact CE1-CD1 3.88Å; F35-Y49 HydrophobicContact CE1-CG 4Å; F35-Y49 VanDerWaalsContact CZ-CB 3.45Å; F35-Y49 HydrophobicContact CZ-CD1 4.35Å; F35-Y49 HydrophobicContact CZ-CG 4.01Å; F35-Y49 PolarHBondContact N-O 2.97Å; F35-Y49 PolarHBondContact O-N 3.29Å; Y49-F51 HydrophobicContact CD1-CD1 4.21Å; Y49-F51 AromaticContact CD1-CD2 3.91Å; Y49-F51 HydrophobicContact CD1-CD2 3.91Å; Y49-F51 HydrophobicContact CD1-CE1 4.15Å; Y49-F51 AromaticContact CD1-CE2 3.86Å; Y49-F51 HydrophobicContact CD1-CE2 3.86Å; Y49-F51 HydrophobicContact CD1-CG 4.1Å; Y49-F51 AromaticContact CD1-CZ 3.98Å; Y49-F51 HydrophobicContact CD1-CZ 3.98Å; Y49-F51 HydrophobicContact CE1-CB 4.45Å; Y49-F51 AromaticContact CE1-CD1 3.53Å; Y49-F51 HydrophobicContact CE1-CD1 3.53Å; Y49-F51 HydrophobicContact CE1-CD2 4.01Å; Y49-F51 AromaticContact CE1-CE1 3.68Å; Y49-F51 HydrophobicContact CE1-CE1 3.68Å; Y49-F51 HydrophobicContact CE1-CE2 4.16Å; Y49-F51 AromaticContact CE1-CG 3.71Å; Y49-F51 HydrophobicContact CE1-CG 3.71Å; Y49-F51 HydrophobicContact CE1-CZ 4Å; Y49-W90 HydrophobicContact CD1-CH2 4.13Å; Y49-W90 AromaticContact CD1-CZ2 3.97Å; Y49-W90 HydrophobicContact CD1-CZ2 3.97Å; Y49-W90 AromaticContact CD2-CZ2 3.99Å; Y49-W90 HydrophobicContact CD2-CZ2 3.99Å; Y49-W90 AromaticContact CE1-CH2 3.46Å; Y49-W90 HydrophobicContact CE1-CH2 3.46Å; Y49-W90 VanDerWaalsContact CE1-CH2 3.46Å; Y49-W90 AromaticContact CE1-CZ2 3.72Å; Y49-W90 HydrophobicContact CE1-CZ2 3.72Å; Y49-W90 HydrophobicContact CE1-CZ3 4.43Å; Y49-W90 HydrophobicContact CE2-CH2 4.01Å; Y49-W90 AromaticContact CE2-CZ2 3.74Å; Y49-W90 HydrophobicContact CE2-CZ2 3.74Å; Y49-W90 HydrophobicContact CG-CZ2 4.1Å; Y49-W90 AromaticContact CZ-CH2 3.4Å; Y49-W90 AromaticContact CZ-CZ2 3.6Å; Y49-Q95 HydrophobicContact CE2-CB 3.99Å; Y49-Q95 HydrophobicContact CE2-CG 4.17Å
50	E	92.1	Very high	88.7	Confident	88 Å²	88	60.7 Å²	60.7	41%	0.411	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.7	174.5	-61.9	-171.9	179.3	0	0	107.5	N33 R48	N33-E50 PolarHBondContact ND2-OE1 3.19Å; N33-E50 PolarHBondContact ND2-OE2 2.86Å; N33-E50 WeakPolarHBondContact O-CA 3.34Å; R48-E50 HydrophobicContact CG-CG 4.49Å; R48-E50 IonicContact CZ-OE1 2.69Å; R48-E50 IonicContact NE-OE1 3.22Å; R48-E50 PolarHBondContact NE-OE1 2.82Å; R48-E50 IonicContact NH2-OE1 3.41Å; R48-E50 PolarHBondContact NH2-OE1 2.82Å
51	F	89.6	Confident	88.7	Confident	22 Å²	22	60.8 Å²	60.8	10%	0.096	29%	0.293	C	S	.	.			trans	-88.8	160.4	176.6	-47.5	-114.7	0	0	0	110.1	N33 F35 Y49 T57 V59 W90 F97	N33-F51 PolarHBondContact O-N 3.35Å; F35-F51 HydrophobicContact CD1-CE2 4.06Å; F35-F51 HydrophobicContact CD1-CZ 4.38Å; F35-F51 HydrophobicContact CE1-CE2 4.2Å; F35-F51 HydrophobicContact CE1-CZ 4.16Å; Y49-F51 HydrophobicContact CD1-CD1 4.21Å; Y49-F51 AromaticContact CD1-CD2 3.91Å; Y49-F51 HydrophobicContact CD1-CD2 3.91Å; Y49-F51 HydrophobicContact CD1-CE1 4.15Å; Y49-F51 AromaticContact CD1-CE2 3.86Å; Y49-F51 HydrophobicContact CD1-CE2 3.86Å; Y49-F51 HydrophobicContact CD1-CG 4.1Å; Y49-F51 AromaticContact CD1-CZ 3.98Å; Y49-F51 HydrophobicContact CD1-CZ 3.98Å; Y49-F51 HydrophobicContact CE1-CB 4.45Å; Y49-F51 AromaticContact CE1-CD1 3.53Å; Y49-F51 HydrophobicContact CE1-CD1 3.53Å; Y49-F51 HydrophobicContact CE1-CD2 4.01Å; Y49-F51 AromaticContact CE1-CE1 3.68Å; Y49-F51 HydrophobicContact CE1-CE1 3.68Å; Y49-F51 HydrophobicContact CE1-CE2 4.16Å; Y49-F51 AromaticContact CE1-CG 3.71Å; Y49-F51 HydrophobicContact CE1-CG 3.71Å; Y49-F51 HydrophobicContact CE1-CZ 4Å; F51-T57 HydrophobicContact CB-CG2 3.22Å; F51-T57 WeakPolarHBondContact CB-OG1 3.34Å; F51-T57 HydrophobicContact CD1-CG2 3.48Å; F51-T57 VanDerWaalsContact CD1-CG2 3.48Å; F51-T57 HydrophobicContact CD2-CG2 3.77Å; F51-T57 WeakPolarHBondContact CD2-OG1 3.34Å; F51-T57 HydrophobicContact CE1-CG2 4.19Å; F51-T57 HydrophobicContact CE2-CG2 4.42Å; F51-T57 HydrophobicContact CG-CG2 3.22Å; F51-T57 WeakPolarHBondContact CG-OG1 3.43Å; F51-V59 HydrophobicContact CE2-CG2 4.05Å; F51-W90 HydrophobicContact CE1-CE3 4.34Å; F51-W90 HydrophobicContact CE1-CH2 4Å; F51-W90 AromaticContact CE1-CZ3 3.69Å; F51-W90 HydrophobicContact CE1-CZ3 3.69Å; F51-W90 HydrophobicContact CZ-CZ3 4.26Å; F51-F97 AromaticContact CE1-CE2 3.84Å; F51-F97 HydrophobicContact CE1-CE2 3.84Å; F51-F97 AromaticContact CE1-CZ 3.76Å; F51-F97 HydrophobicContact CE1-CZ 3.76Å; F51-F97 AromaticContact CZ-CZ 3.98Å; F51-F97 HydrophobicContact CZ-CZ 3.98Å
52	D	84.9	Confident	88.8	Confident	84 Å²	84	60.1 Å²	60.1	45%	0.449	29%	0.289	S	S	.	.			trans	-59.4	141.8	175.8	-165.8	-66.6	0	0	0	110.6	R54 D55 G56	D52-R54 PolarHBondContact O-N 3Å; D52-R54 VanDerWaalsContact O-N 3.11Å; D52-R54 VanDerWaalsContact OD1-CB 3.23Å; D52-R54 WeakPolarHBondContact OD1-CB 3.35Å; D52-R54 VanDerWaalsContact OD1-CG 3.26Å; D52-R54 WeakPolarHBondContact OD1-CG 3.48Å; D52-R54 PolarHBondContact OD1-N 2.87Å; D52-D55 PolarHBondContact O-N 2.83Å; D52-G56 PolarHBondContact O-N 3.44Å
53	I	79.3	Confident	88.9	Confident	157 Å²	157	56.7 Å²	56.7	81%	0.805	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.5	177.1	-163.1	164.1	0	0	0	112.3
54	R	78.1	Confident	88.9	Confident	198 Å²	198	55.8 Å²	55.8	75%	0.747	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-37.5	175.5	-64.6	177.5	-174.3	-142.2	1.9	111.5	D52 G56 R81	D52-R54 PolarHBondContact O-N 3Å; D52-R54 VanDerWaalsContact O-N 3.11Å; D52-R54 VanDerWaalsContact OD1-CB 3.23Å; D52-R54 WeakPolarHBondContact OD1-CB 3.35Å; D52-R54 VanDerWaalsContact OD1-CG 3.26Å; D52-R54 WeakPolarHBondContact OD1-CG 3.48Å; D52-R54 PolarHBondContact OD1-N 2.87Å; R54-G56 VanDerWaalsContact C-N 3.33Å; R54-R81 PolarHBondContact O-NE 2.96Å; R54-R81 PolarHBondContact O-NH2 3.2Å
55	D	71.9	Confident	89	Confident	98 Å²	98	49.5 Å²	49.5	52%	0.524	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-27.7	-179.1	-62.9	-25.8	0	0	0	111.6	D52 T57 R81	D52-D55 PolarHBondContact O-N 2.83Å; D55-T57 HydrophobicContact CB-CG2 3.88Å; D55-R81 VanDerWaalsContact O-CB 3.3Å; D55-R81 WeakPolarHBondContact O-CB 3.38Å; D55-R81 WeakPolarHBondContact O-CD 3.41Å; D55-R81 WeakPolarHBondContact O-CG 3.42Å; D55-R81 PolarHBondContact O-NE 2.64Å
56	G	63.8	Low	89.1	Confident	5 Å²	5	50.2 Å²	50.2	5%	0.052	24%	0.235	C	C	.	.			trans	55	103	174.8	0	0	0	0	0	113.6	D52 R54 H79 R81	D52-G56 PolarHBondContact O-N 3.44Å; R54-G56 VanDerWaalsContact C-N 3.33Å; G56-H79 CarbonylContact C-O 3.53Å; G56-H79 WeakPolarHBondContact CA-O 3.27Å; G56-R81 WeakPolarHBondContact O-CB 3.32Å; G56-R81 PolarHBondContact O-N 2.81Å
57	T	68.4	Low	89.1	Confident	10 Å²	10	52.4 Å²	52.4	6%	0.061	24%	0.238	C	C	.	.			trans	-145.1	31.8	-154.7	59.5	0	0	0	0	113.8	N33 F51 D55 V59 H79	N33-T57 PolarHBondContact O-OG1 3.46Å; F51-T57 HydrophobicContact CB-CG2 3.22Å; F51-T57 WeakPolarHBondContact CB-OG1 3.34Å; F51-T57 HydrophobicContact CD1-CG2 3.48Å; F51-T57 VanDerWaalsContact CD1-CG2 3.48Å; F51-T57 HydrophobicContact CD2-CG2 3.77Å; F51-T57 WeakPolarHBondContact CD2-OG1 3.34Å; F51-T57 HydrophobicContact CE1-CG2 4.19Å; F51-T57 HydrophobicContact CE2-CG2 4.42Å; F51-T57 HydrophobicContact CG-CG2 3.22Å; F51-T57 WeakPolarHBondContact CG-OG1 3.43Å; D55-T57 HydrophobicContact CB-CG2 3.88Å; T57-V59 VanDerWaalsContact O-CG2 3.24Å; T57-V59 WeakPolarHBondContact O-CG2 3.36Å; T57-V59 PolarHBondContact O-N 3.48Å; T57-H79 PolarHBondContact N-O 3.03Å
58	G	90.3	Very high	89.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.24	C	C	.	.			trans	-48.8	122.8	171.2	0	0	0	0	0	109.8	M31 Q32 G75 G76 S80	M31-G58 CarbonylContact O-C 3.53Å; M31-G58 WeakPolarHBondContact O-CA 3.29Å; Q32-G58 VanDerWaalsContact O-CA 3.22Å; Q32-G58 WeakPolarHBondContact O-CA 3.4Å; Q32-G58 PolarHBondContact O-N 3.46Å; G58-G75 CarbonylContact O-C 3.6Å; G58-G75 WeakPolarHBondContact O-CA 3.46Å; G58-G76 CarbonylContact C-O 3.56Å; G58-G76 WeakPolarHBondContact CA-O 3.24Å; G58-G76 PolarHBondContact O-N 2.81Å; G58-S80 PolarHBondContact O-OG 3.39Å
59	V	94.8	Very high	89.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	99	-175.1	177.1	0	0	0	0	107.7	L16 G30 M31 G34 F35 F51 T57 M62 I73	L16-V59 WeakPolarHBondContact CB-O 3.3Å; G30-V59 CarbonylContact C-O 3.6Å; G30-V59 VanDerWaalsContact CA-O 3.3Å; G30-V59 WeakPolarHBondContact CA-O 3.38Å; M31-V59 PolarHBondContact O-N 2.85Å; G34-V59 WeakPolarHBondContact O-CB 3.47Å; G34-V59 WeakPolarHBondContact O-CG2 3.32Å; F35-V59 HydrophobicContact CB-CG2 4.43Å; F35-V59 HydrophobicContact CD1-CG2 4.31Å; F51-V59 HydrophobicContact CE2-CG2 4.05Å; T57-V59 VanDerWaalsContact O-CG2 3.24Å; T57-V59 WeakPolarHBondContact O-CG2 3.36Å; T57-V59 PolarHBondContact O-N 3.48Å; V59-M62 HydrophobicContact CG1-CG 3.31Å; V59-M62 HydrophobicContact CG1-SD 3.8Å; V59-I73 HydrophobicContact CG1-CG2 4.1Å; V59-I73 HydrophobicContact CG2-CG2 4.39Å
60	G	95	Very high	89.4	Confident	9 Å²	9	49.9 Å²	49.9	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-13.7	-175.4	0	0	0	0	0	114.6	R4 L74	R4-G60 PolarHBondContact NE-O 2.72Å; G60-L74 PolarHBondContact N-O 3.18Å
61	Y	97.2	Very high	89.7	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	141.3	177.8	-172.2	-87.5	0	0	0	110.8	R4 F17 E63 L74 I110 R111	R4-Y61 HydrophobicContact CG-CD2 4.35Å; R4-Y61 VanDerWaalsContact NH2-CG 3.3Å; F17-Y61 AromaticContact CD2-CD2 3.75Å; F17-Y61 HydrophobicContact CD2-CD2 3.75Å; F17-Y61 HydrophobicContact CD2-CE2 4.21Å; F17-Y61 HydrophobicContact CD2-CG 4.26Å; F17-Y61 AromaticContact CE2-CD2 3.48Å; F17-Y61 HydrophobicContact CE2-CD2 3.48Å; F17-Y61 VanDerWaalsContact CE2-CD2 3.48Å; F17-Y61 AromaticContact CE2-CE2 3.48Å; F17-Y61 HydrophobicContact CE2-CE2 3.48Å; F17-Y61 VanDerWaalsContact CE2-CE2 3.48Å; F17-Y61 HydrophobicContact CE2-CG 4.1Å; F17-Y61 AromaticContact CE2-CZ 3.99Å; F17-Y61 HydrophobicContact CZ-CD2 4.48Å; F17-Y61 HydrophobicContact CZ-CE2 4.31Å; Y61-E63 HydrophobicContact CE1-CB 4.22Å; Y61-E63 PolarHBondContact OH-OE2 3.31Å; Y61-L74 HydrophobicContact CD1-CD1 4.02Å; Y61-L74 HydrophobicContact CD1-CG 4.15Å; Y61-L74 HydrophobicContact CG-CD1 4.01Å; Y61-L74 HydrophobicContact CG-CG 4.37Å; Y61-L74 PolarHBondContact N-O 2.87Å; Y61-L74 PolarHBondContact O-N 2.92Å; Y61-I110 HydrophobicContact CD1-CG2 3.95Å; Y61-I110 HydrophobicContact CE1-CG2 3.95Å; Y61-I110 WeakPolarHBondContact CE1-O 3.34Å; Y61-R111 VanDerWaalsContact CZ-NH1 3.34Å; Y61-R111 VanDerWaalsContact OH-CZ 3.26Å; Y61-R111 PolarHBondContact OH-NH1 3.25Å
62	M	97.4	Very high	90.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.5	174.2	-58.3	178.2	73.8	0	0	112.1	F17 A28 F35 I37 V59 L71 G72	F17-M62 HydrophobicContact CD1-CB 3.88Å; F17-M62 HydrophobicContact CD1-CG 4.14Å; F17-M62 HydrophobicContact CE1-CB 3.67Å; F17-M62 HydrophobicContact CE1-CG 4.43Å; F17-M62 WeakPolarHBondContact CE1-O 3.3Å; F17-M62 HydrophobicContact CZ-CB 4.37Å; F17-M62 WeakPolarHBondContact CZ-O 3.49Å; A28-M62 HydrophobicContact CB-CB 4.19Å; A28-M62 HydrophobicContact CB-CE 4.12Å; A28-M62 HydrophobicContact CB-SD 3.98Å; F35-M62 HydrophobicContact CB-CE 3.52Å; F35-M62 HydrophobicContact CB-SD 3.44Å; F35-M62 WeakPolarHBondContact CB-SD 3.29Å; F35-M62 HydrophobicContact CD1-CE 4.22Å; F35-M62 HydrophobicContact CD2-CE 3.56Å; F35-M62 HydrophobicContact CE2-CE 4.32Å; F35-M62 HydrophobicContact CG-CE 3.5Å; F35-M62 VanDerWaalsContact CG-CE 3.5Å; F35-M62 HydrophobicContact CG-SD 4.13Å; I37-M62 HydrophobicContact CD1-CE 3.86Å; V59-M62 HydrophobicContact CG1-CG 3.31Å; V59-M62 HydrophobicContact CG1-SD 3.8Å; M62-L71 HydrophobicContact CE-CD1 3.9Å; M62-G72 CarbonylContact C-O 3.55Å; M62-G72 VanDerWaalsContact CA-O 3.25Å; M62-G72 WeakPolarHBondContact CA-O 3.06Å
63	E	98	Very high	90.7	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.5	167.1	-175.2	76.3	176.3	0	0	108.8	Y61 L71 G72 I110 R111 L112	Y61-E63 HydrophobicContact CE1-CB 4.22Å; Y61-E63 PolarHBondContact OH-OE2 3.31Å; E63-L71 CarbonylContact O-C 3.6Å; E63-L71 WeakPolarHBondContact O-CA 3.49Å; E63-G72 PolarHBondContact N-O 2.98Å; E63-G72 PolarHBondContact O-N 3.36Å; E63-I110 HydrophobicContact CB-CG2 4.12Å; E63-R111 WeakPolarHBondContact OE1-CD 3.18Å; E63-L112 HydrophobicContact CB-CG 4.45Å; E63-L112 HydrophobicContact CG-CB 4.21Å; E63-L112 HydrophobicContact CG-CD1 4.4Å; E63-L112 HydrophobicContact CG-CG 3.98Å
64	M	98.3	Very high	91.5	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.069	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	147.1	168.8	-60.9	178.1	70.5	0	0	109.7	N21 Q22 C26 A28 I37 L71	N21-M64 HydrophobicContact CB-CB 3.88Å; N21-M64 HydrophobicContact CB-CE 4.39Å; N21-M64 HydrophobicContact CB-CG 4.44Å; N21-M64 HydrophobicContact CB-SD 3.87Å; Q22-M64 PolarHBondContact NE2-O 3.21Å; Q22-M64 PolarHBondContact OE1-O 2.77Å; C26-M64 HydrophobicContact CB-CE 3.6Å; C26-M64 HydrophobicContact CB-SD 4.02Å; A28-M64 HydrophobicContact CB-CG 3.96Å; A28-M64 HydrophobicContact CB-SD 3.91Å; I37-M64 HydrophobicContact CD1-CE 4.45Å; I37-M64 HydrophobicContact CD1-CG 4.37Å; I37-M64 HydrophobicContact CD1-SD 4.22Å; I37-M64 HydrophobicContact CG2-CE 3.57Å; I37-M64 HydrophobicContact CG2-SD 4.22Å; M64-L71 HydrophobicContact CB-CD2 4.31Å; M64-L71 HydrophobicContact CG-CD2 3.88Å
65	L	97.2	Very high	92.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	13%	0.132	C	C	.	.			trans	-102.2	93.6	162.2	-179.4	61.5	0	0	0	109.3	R67 T68 L70 L112 F130	L65-R67 PolarHBondContact O-N 2.99Å; L65-T68 WeakPolarHBondContact CB-OG1 3.31Å; L65-T68 HydrophobicContact CG-CG2 4.37Å; L65-T68 WeakPolarHBondContact O-CB 3.45Å; L65-T68 VanDerWaalsContact O-CG2 3.32Å; L65-T68 WeakPolarHBondContact O-CG2 3.46Å; L65-T68 PolarHBondContact O-N 2.77Å; L65-T68 PolarHBondContact O-OG1 3.39Å; L65-L70 PolarHBondContact N-O 3.41Å; L65-L112 HydrophobicContact CB-CB 4.14Å; L65-L112 HydrophobicContact CB-CD1 4.08Å; L65-L112 HydrophobicContact CD1-CB 4.08Å; L65-F130 HydrophobicContact CD2-CE2 4.11Å
66	F	96.7	Very high	93.2	Very high	52 Å²	52	21.5 Å²	21.5	23%	0.228	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-118.3	-172.5	-71.3	-79.6	0	0	0	112.3	N21 Q22 D23 H114 Q154	N21-F66 PolarHBondContact ND2-O 3.27Å; Q22-F66 HydrophobicContact CB-CD1 4.18Å; Q22-F66 HydrophobicContact CB-CE1 3.87Å; Q22-F66 HydrophobicContact CB-CZ 4.18Å; D23-F66 HydrophobicContact CB-CE1 4.46Å; F66-H114 AromaticContact CD2-NE2 3.35Å; F66-H114 WeakPolarHBondContact CD2-NE2 3.32Å; F66-H114 AromaticContact CE2-NE2 3.65Å; F66-Q154 HydrophobicContact CE2-CB 3.9Å; F66-Q154 HydrophobicContact CE2-CG 4.02Å; F66-Q154 HydrophobicContact CZ-CB 3.52Å; F66-Q154 HydrophobicContact CZ-CG 3.8Å
67	R	96	Very high	94.3	Very high	136 Å²	136	23 Å²	23	51%	0.513	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	27	173.1	-62.7	-173.1	178.6	-120.7	-1.7	111.3	G25 N39 L65	G25-R67 PolarHBondContact O-NH2 3.04Å; N39-R67 PolarHBondContact OD1-NH1 3.32Å; N39-R67 PolarHBondContact OD1-NH2 3.45Å; L65-R67 PolarHBondContact O-N 2.99Å
68	T	96.4	Very high	95	Very high	49 Å²	49	28.1 Å²	28.1	30%	0.301	16%	0.158	S	C	.	.	S	Bend	trans	-75.6	169	171.4	70.9	0	0	0	0	110.2	L65 L70	L65-T68 WeakPolarHBondContact CB-OG1 3.31Å; L65-T68 HydrophobicContact CG-CG2 4.37Å; L65-T68 WeakPolarHBondContact O-CB 3.45Å; L65-T68 VanDerWaalsContact O-CG2 3.32Å; L65-T68 WeakPolarHBondContact O-CG2 3.46Å; L65-T68 PolarHBondContact O-N 2.77Å; L65-T68 PolarHBondContact O-OG1 3.39Å; T68-L70 PolarHBondContact O-N 2.89Å; T68-L70 PolarHBondContact OG1-N 2.73Å
69	N	94.8	Very high	94.3	Very high	58 Å²	58	34.3 Å²	34.3	31%	0.31	19%	0.187	S	C	.	.	S	Bend	trans	-77.3	3.2	172.7	60.8	-56.1	0	0	0	113.6	D91 G92 I93	N69-D91 VanDerWaalsContact ND2-CG 3.27Å; N69-D91 PolarHBondContact ND2-OD1 2.89Å; N69-D91 CarbonylContact O-C 3.56Å; N69-G92 PolarHBondContact O-N 3.08Å; N69-I93 HydrophobicContact CB-CD1 3.93Å; N69-I93 HydrophobicContact CB-CG1 3.71Å
70	L	97.1	Very high	93.7	Very high	36 Å²	36	36 Å²	36	19%	0.188	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126	-177	-65.2	174.8	0	0	0	111.4	L65 T68 W90 D91 F130	L65-L70 PolarHBondContact N-O 3.41Å; T68-L70 PolarHBondContact O-N 2.89Å; T68-L70 PolarHBondContact OG1-N 2.73Å; L70-W90 WeakPolarHBondContact CA-O 3.41Å; L70-D91 HydrophobicContact CD2-CB 4.35Å; L70-F130 HydrophobicContact CD1-CE1 3.98Å; L70-F130 HydrophobicContact CD1-CZ 3.73Å
71	L	97.6	Very high	93.2	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	176.9	-52.4	174.9	0	0	0	110	F35 I37 M62 E63 M64 I73 L89 W90	F35-L71 HydrophobicContact CD2-CD1 4.29Å; F35-L71 HydrophobicContact CE2-CD1 3.69Å; F35-L71 HydrophobicContact CZ-CD1 3.92Å; I37-L71 HydrophobicContact CD1-CD1 4.36Å; I37-L71 HydrophobicContact CD1-CD2 4.32Å; M62-L71 HydrophobicContact CE-CD1 3.9Å; E63-L71 CarbonylContact O-C 3.6Å; E63-L71 WeakPolarHBondContact O-CA 3.49Å; M64-L71 HydrophobicContact CB-CD2 4.31Å; M64-L71 HydrophobicContact CG-CD2 3.88Å; L71-I73 HydrophobicContact CB-CD1 4.5Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-L89 CarbonylContact O-C 3.5Å; L71-L89 WeakPolarHBondContact O-CA 3.45Å; L71-W90 HydrophobicContact CB-CB 4.24Å; L71-W90 PolarHBondContact N-O 2.66Å; L71-W90 PolarHBondContact O-N 3.22Å
72	G	98.1	Very high	92.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.5	164.8	0	0	0	0	0	109.6	M62 E63 C88	M62-G72 CarbonylContact C-O 3.55Å; M62-G72 VanDerWaalsContact CA-O 3.25Å; M62-G72 WeakPolarHBondContact CA-O 3.06Å; E63-G72 PolarHBondContact N-O 2.98Å; E63-G72 PolarHBondContact O-N 3.36Å; G72-C88 CarbonylContact C-O 3.6Å; G72-C88 WeakPolarHBondContact CA-O 3.13Å
73	I	97.3	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.8	-174.6	-66.2	-175	0	0	0	110	F35 V59 L71 L82 C88 W90 F97	F35-I73 HydrophobicContact CD1-CD1 4.29Å; F35-I73 HydrophobicContact CE1-CD1 4.14Å; V59-I73 HydrophobicContact CG1-CG2 4.1Å; V59-I73 HydrophobicContact CG2-CG2 4.39Å; L71-I73 HydrophobicContact CB-CD1 4.5Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; I73-L82 HydrophobicContact CG2-CD1 3.84Å; I73-C88 PolarHBondContact N-O 3.29Å; I73-C88 PolarHBondContact O-N 2.83Å; I73-W90 HydrophobicContact CD1-CB 3.64Å; I73-W90 HydrophobicContact CD1-CG 4.04Å; I73-W90 HydrophobicContact CG1-CB 4.28Å; I73-F97 HydrophobicContact CB-CE1 4.38Å; I73-F97 HydrophobicContact CD1-CE1 4.3Å; I73-F97 HydrophobicContact CG2-CE1 4.33Å
74	L	96.7	Very high	92.4	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.6	164.5	-45.2	176.3	0	0	0	109.7	G60 Y61 A87 V107 I110	G60-L74 PolarHBondContact N-O 3.18Å; Y61-L74 HydrophobicContact CD1-CD1 4.02Å; Y61-L74 HydrophobicContact CD1-CG 4.15Å; Y61-L74 HydrophobicContact CG-CD1 4.01Å; Y61-L74 HydrophobicContact CG-CG 4.37Å; Y61-L74 PolarHBondContact N-O 2.87Å; Y61-L74 PolarHBondContact O-N 2.92Å; L74-A87 HydrophobicContact CD2-CB 3.59Å; L74-V107 HydrophobicContact CD1-CB 4.35Å; L74-V107 HydrophobicContact CD1-CG1 3.82Å; L74-V107 HydrophobicContact CD2-CB 4.13Å; L74-V107 HydrophobicContact CD2-CG1 3.68Å; L74-V107 HydrophobicContact CG-CG1 4.45Å; L74-I110 HydrophobicContact CD2-CG2 4.3Å; L74-I110 HydrophobicContact CG-CG2 4.35Å
75	G	94.1	Very high	92.3	Very high	21 Å²	21	51.9 Å²	51.9	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	152.5	172.3	0	0	0	0	0	113.7	G58 S80	G58-G75 CarbonylContact O-C 3.6Å; G58-G75 WeakPolarHBondContact O-CA 3.46Å; G75-S80 WeakPolarHBondContact CA-OG 3.41Å
76	G	91.5	Very high	92.3	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	28%	0.28	C	S	.	.			trans	-176.4	176.7	168.4	0	0	0	0	0	112.9	L16 G58 S80	L16-G76 WeakPolarHBondContact CD1-O 3.37Å; G58-G76 CarbonylContact C-O 3.56Å; G58-G76 WeakPolarHBondContact CA-O 3.24Å; G58-G76 PolarHBondContact O-N 2.81Å; G76-S80 PolarHBondContact N-OG 3.43Å; G76-S80 VanDerWaalsContact N-OG 3.12Å; G76-S80 WeakPolarHBondContact O-CB 3.28Å
77	G	86.9	Confident	92.4	Very high	36 Å²	36	49.7 Å²	49.7	37%	0.371	27%	0.27	S	S	.	.	S	Bend	trans	83.4	-169.2	-175	0	0	0	0	0	113.2	Q32	Q32-G77 VanDerWaalsContact OE1-CA 3.23Å
78	N	83.6	Confident	92.4	Very high	117 Å²	117	43.2 Å²	43.2	63%	0.626	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.2	-166.3	-63.2	-10.4	0	0	0	113.1
79	H	75.1	Confident	92.4	Very high	131 Å²	131	41.1 Å²	41.1	61%	0.606	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.5	18.6	-171.6	-59.1	-62.9	0	0	0	113	G56 T57 R81	G56-H79 CarbonylContact C-O 3.53Å; G56-H79 WeakPolarHBondContact CA-O 3.27Å; T57-H79 PolarHBondContact N-O 3.03Å; H79-R81 PolarHBondContact O-N 3.43Å
80	S	82	Confident	92.5	Very high	35 Å²	35	38.6 Å²	38.6	25%	0.245	22%	0.219	C	C	.	.			trans	-71.5	127.9	177.6	-152.6	0	0	0	0	111.5	G58 G75 G76	G58-S80 PolarHBondContact O-OG 3.39Å; G75-S80 WeakPolarHBondContact CA-OG 3.41Å; G76-S80 PolarHBondContact N-OG 3.43Å; G76-S80 VanDerWaalsContact N-OG 3.12Å; G76-S80 WeakPolarHBondContact O-CB 3.28Å
81	R	84.9	Confident	92.5	Very high	172 Å²	172	37.5 Å²	37.5	65%	0.649	21%	0.213	S	C	*	.			trans	-97.3	-10.1	168.7	-62.2	-162.7	-164.6	-95.2	2.9	113.3	R54 D55 G56 H79 P83	R54-R81 PolarHBondContact O-NE 2.96Å; R54-R81 PolarHBondContact O-NH2 3.2Å; D55-R81 VanDerWaalsContact O-CB 3.3Å; D55-R81 WeakPolarHBondContact O-CB 3.38Å; D55-R81 WeakPolarHBondContact O-CD 3.41Å; D55-R81 WeakPolarHBondContact O-CG 3.42Å; D55-R81 PolarHBondContact O-NE 2.64Å; G56-R81 WeakPolarHBondContact O-CB 3.32Å; G56-R81 PolarHBondContact O-N 2.81Å; H79-R81 PolarHBondContact O-N 3.43Å; R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.37Å
82	L	89.1	Confident	92.3	Very high	27 Å²	27	38 Å²	38	14%	0.141	22%	0.22	C	C	.	.	S	Bend	trans	-67.6	117.1	170.7	-69.2	179.6	0	0	0	108.7	I73 F97	I73-L82 HydrophobicContact CG2-CD1 3.84Å; L82-F97 HydrophobicContact CD1-CE1 4.29Å; L82-F97 HydrophobicContact CD1-CZ 3.98Å; L82-F97 HydrophobicContact CD2-CE2 4.39Å; L82-F97 HydrophobicContact CD2-CZ 4.24Å
83	P	92.8	Very high	92.1	Very high	66 Å²	66	44.4 Å²	44.4	43%	0.429	25%	0.252	S	S	.	.			trans	-61.1	144.8	-178.3	-22.9	34.3	0	0	0	111.9	R81 N85 V86	R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.37Å; P83-N85 VanDerWaalsContact CB-OD1 3.31Å; P83-N85 WeakPolarHBondContact CB-OD1 3.41Å; P83-N85 PolarHBondContact O-N 2.71Å; P83-V86 HydrophobicContact CB-CB 4.45Å; P83-V86 HydrophobicContact CB-CG2 3.92Å; P83-V86 HydrophobicContact CG-CG2 4.06Å; P83-V86 PolarHBondContact O-N 3.41Å
84	S	94.3	Very high	92	Very high	71 Å²	71	48.8 Å²	48.8	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.7	-176.9	58.9	0	0	0	0	114.2	D106 V107	S84-D106 WeakPolarHBondContact CB-OD1 3.45Å; S84-D106 CarbonylContact O-C 3.6Å; S84-D106 WeakPolarHBondContact O-CA 3.23Å; S84-D106 PolarHBondContact OG-OD1 3.27Å; S84-V107 PolarHBondContact O-N 3.39Å
85	N	96.7	Very high	91.8	Very high	47 Å²	47	53.8 Å²	53.8	25%	0.251	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	7.5	178.8	71.9	-42.2	0	0	0	113.6	P83 C103	P83-N85 VanDerWaalsContact CB-OD1 3.31Å; P83-N85 WeakPolarHBondContact CB-OD1 3.41Å; P83-N85 PolarHBondContact O-N 2.71Å; N85-C103 PolarHBondContact ND2-O 3.06Å; N85-C103 PolarHBondContact O-N 3.23Å
86	V	96.9	Very high	91.8	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.6	179.4	-179.4	0	0	0	0	109.9	P83 E100 T102	P83-V86 HydrophobicContact CB-CB 4.45Å; P83-V86 HydrophobicContact CB-CG2 3.92Å; P83-V86 HydrophobicContact CG-CG2 4.06Å; P83-V86 PolarHBondContact O-N 3.41Å; V86-E100 HydrophobicContact CG1-CB 4Å; V86-E100 HydrophobicContact CG1-CG 4.39Å; V86-T102 HydrophobicContact CG2-CG2 4.17Å
87	A	97.7	Very high	91.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.9	169	0	0	0	0	0	110.3	L74 I101 V107 I110 I119	L74-A87 HydrophobicContact CD2-CB 3.59Å; A87-I101 PolarHBondContact N-O 3.01Å; A87-I101 PolarHBondContact O-N 2.85Å; A87-V107 HydrophobicContact CB-CG1 4.26Å; A87-V107 HydrophobicContact CB-CG2 4.42Å; A87-I110 HydrophobicContact CB-CD1 4.22Å; A87-I119 HydrophobicContact CB-CD1 3.6Å
88	C	96.5	Very high	92.3	Very high	1 Å²	1	60 Å²	60	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148.1	-175	-52.3	0	0	0	0	111.4	G72 I73 F97 L99	G72-C88 CarbonylContact C-O 3.6Å; G72-C88 WeakPolarHBondContact CA-O 3.13Å; I73-C88 PolarHBondContact N-O 3.29Å; I73-C88 PolarHBondContact O-N 2.83Å; C88-F97 HydrophobicContact CB-CD1 3.5Å; C88-F97 HydrophobicContact CB-CE1 3.81Å; C88-F97 HydrophobicContact CB-CG 4.41Å; C88-L99 CarbonylContact C-O 3.56Å; C88-L99 VanDerWaalsContact CA-O 3.29Å; C88-L99 WeakPolarHBondContact CA-O 3.1Å
89	L	97.4	Very high	93	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.6	159.5	-63.6	-175.4	0	0	0	109.7	L71 F97 V98 L99 I110 L112 I117 F130	L71-L89 CarbonylContact O-C 3.5Å; L71-L89 WeakPolarHBondContact O-CA 3.45Å; L89-F97 CarbonylContact O-C 3.58Å; L89-F97 WeakPolarHBondContact O-CA 3.41Å; L89-V98 HydrophobicContact CB-CG2 3.97Å; L89-V98 PolarHBondContact O-N 3Å; L89-L99 HydrophobicContact CB-CB 4.04Å; L89-L99 HydrophobicContact CD1-CB 4.19Å; L89-L99 HydrophobicContact CD1-CD2 3.66Å; L89-L99 HydrophobicContact CG-CB 4.2Å; L89-L99 HydrophobicContact CG-CD2 4.05Å; L89-L99 PolarHBondContact N-O 2.82Å; L89-I110 HydrophobicContact CD2-CD1 4.06Å; L89-L112 HydrophobicContact CD2-CD1 4.08Å; L89-L112 HydrophobicContact CD2-CD2 3.75Å; L89-I117 HydrophobicContact CD1-CD1 3.83Å; L89-F130 HydrophobicContact CD1-CE1 3.64Å; L89-F130 HydrophobicContact CD1-CZ 3.66Å
90	W	96.4	Very high	94	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.2	173.1	175.8	-91.5	0	0	0	110	F35 Y49 F51 L70 L71 I73 Q95 Q96 F97	F35-W90 AromaticContact CZ-NE1 3.63Å; Y49-W90 HydrophobicContact CD1-CH2 4.13Å; Y49-W90 AromaticContact CD1-CZ2 3.97Å; Y49-W90 HydrophobicContact CD1-CZ2 3.97Å; Y49-W90 AromaticContact CD2-CZ2 3.99Å; Y49-W90 HydrophobicContact CD2-CZ2 3.99Å; Y49-W90 AromaticContact CE1-CH2 3.46Å; Y49-W90 HydrophobicContact CE1-CH2 3.46Å; Y49-W90 VanDerWaalsContact CE1-CH2 3.46Å; Y49-W90 AromaticContact CE1-CZ2 3.72Å; Y49-W90 HydrophobicContact CE1-CZ2 3.72Å; Y49-W90 HydrophobicContact CE1-CZ3 4.43Å; Y49-W90 HydrophobicContact CE2-CH2 4.01Å; Y49-W90 AromaticContact CE2-CZ2 3.74Å; Y49-W90 HydrophobicContact CE2-CZ2 3.74Å; Y49-W90 HydrophobicContact CG-CZ2 4.1Å; Y49-W90 AromaticContact CZ-CH2 3.4Å; Y49-W90 AromaticContact CZ-CZ2 3.6Å; F51-W90 HydrophobicContact CE1-CE3 4.34Å; F51-W90 HydrophobicContact CE1-CH2 4Å; F51-W90 AromaticContact CE1-CZ3 3.69Å; F51-W90 HydrophobicContact CE1-CZ3 3.69Å; F51-W90 HydrophobicContact CZ-CZ3 4.26Å; L70-W90 WeakPolarHBondContact CA-O 3.41Å; L71-W90 HydrophobicContact CB-CB 4.24Å; L71-W90 PolarHBondContact N-O 2.66Å; L71-W90 PolarHBondContact O-N 3.22Å; I73-W90 HydrophobicContact CD1-CB 3.64Å; I73-W90 HydrophobicContact CD1-CG 4.04Å; I73-W90 HydrophobicContact CG1-CB 4.28Å; W90-Q95 HydrophobicContact CH2-CB 4.33Å; W90-Q95 WeakPolarHBondContact CH2-O 3.12Å; W90-Q95 HydrophobicContact CZ2-CB 3.9Å; W90-Q96 VanDerWaalsContact CZ3-CA 3.46Å; W90-F97 HydrophobicContact CB-CD1 4.37Å; W90-F97 HydrophobicContact CB-CE1 4.46Å; W90-F97 AromaticContact CE3-CD1 3.82Å; W90-F97 HydrophobicContact CE3-CD1 3.82Å; W90-F97 HydrophobicContact CE3-CD2 4.17Å; W90-F97 AromaticContact CE3-CE1 3.79Å; W90-F97 HydrophobicContact CE3-CE1 3.79Å; W90-F97 HydrophobicContact CE3-CE2 4.13Å; W90-F97 HydrophobicContact CE3-CG 4.02Å; W90-F97 AromaticContact CE3-CZ 3.94Å; W90-F97 HydrophobicContact CE3-CZ 3.94Å; W90-F97 HydrophobicContact CZ3-CD2 4.16Å; W90-F97 HydrophobicContact CZ3-CE1 4.5Å; W90-F97 HydrophobicContact CZ3-CE2 4.04Å; W90-F97 HydrophobicContact CZ3-CG 4.44Å; W90-F97 HydrophobicContact CZ3-CZ 4.22Å
91	D	96.5	Very high	94.7	Very high	14 Å²	14	54 Å²	54	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109	171.8	-178.8	-26.6	0	0	0	108.9	N69 L70 I93 K94 Q95 Q96 V98	N69-D91 VanDerWaalsContact ND2-CG 3.27Å; N69-D91 PolarHBondContact ND2-OD1 2.89Å; N69-D91 CarbonylContact O-C 3.56Å; L70-D91 HydrophobicContact CD2-CB 4.35Å; D91-I93 PolarHBondContact O-N 2.92Å; D91-I93 WeakPolarHBondContact OD1-CA 3.34Å; D91-I93 WeakPolarHBondContact OD1-CB 3.42Å; D91-I93 PolarHBondContact OD1-N 2.85Å; D91-K94 HydrophobicContact CB-CB 4.15Å; D91-K94 HydrophobicContact CB-CD 4.49Å; D91-K94 HydrophobicContact CB-CG 4.45Å; D91-K94 CarbonylContact O-C 3.52Å; D91-K94 PolarHBondContact O-N 2.95Å; D91-K94 PolarHBondContact OD1-N 3.02Å; D91-K94 VanDerWaalsContact OD1-N 3.08Å; D91-K94 WeakPolarHBondContact OD2-CD 3.49Å; D91-K94 WeakPolarHBondContact OD2-CE 3.45Å; D91-K94 WeakPolarHBondContact OD2-CG 3.4Å; D91-Q95 WeakPolarHBondContact O-CA 3.46Å; D91-Q95 PolarHBondContact O-N 2.88Å; D91-Q96 PolarHBondContact N-O 3.4Å; D91-Q96 PolarHBondContact O-N 2.84Å; D91-V98 HydrophobicContact CB-CB 4.49Å; D91-V98 HydrophobicContact CB-CG1 3.5Å; D91-V98 HydrophobicContact CB-CG2 4.15Å
92	G	94.2	Very high	95.3	Very high	16 Å²	16	50.2 Å²	50.2	17%	0.165	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.8	-179.1	0	0	0	0	0	114.7	N69	N69-G92 PolarHBondContact O-N 3.08Å
93	I	94.2	Very high	95.7	Very high	134 Å²	134	49.4 Å²	49.4	69%	0.687	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-44.7	172.4	-67.1	170.4	0	0	0	109.6	N69 D91 Q95	N69-I93 HydrophobicContact CB-CD1 3.93Å; N69-I93 HydrophobicContact CB-CG1 3.71Å; D91-I93 PolarHBondContact O-N 2.92Å; D91-I93 WeakPolarHBondContact OD1-CA 3.34Å; D91-I93 WeakPolarHBondContact OD1-CB 3.42Å; D91-I93 PolarHBondContact OD1-N 2.85Å; I93-Q95 VanDerWaalsContact C-N 3.34Å
94	K	94.9	Very high	95.7	Very high	91 Å²	91	51.1 Å²	51.1	40%	0.396	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.8	-179.7	-61.8	-179.4	-172.9	174.3	0	113.5	D91 Q96 V98	D91-K94 HydrophobicContact CB-CB 4.15Å; D91-K94 HydrophobicContact CB-CD 4.49Å; D91-K94 HydrophobicContact CB-CG 4.45Å; D91-K94 CarbonylContact O-C 3.52Å; D91-K94 PolarHBondContact O-N 2.95Å; D91-K94 PolarHBondContact OD1-N 3.02Å; D91-K94 VanDerWaalsContact OD1-N 3.08Å; D91-K94 WeakPolarHBondContact OD2-CD 3.49Å; D91-K94 WeakPolarHBondContact OD2-CE 3.45Å; D91-K94 WeakPolarHBondContact OD2-CG 3.4Å; K94-Q96 VanDerWaalsContact C-N 3.31Å; K94-Q96 HydrophobicContact CB-CG 3.78Å; K94-Q96 PolarHBondContact O-N 2.64Å; K94-V98 HydrophobicContact CD-CG1 4.34Å
95	Q	93	Very high	95.8	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	49.3	-172.9	-62.5	-172.3	-3.1	0	0	113	Y49 W90 D91 I93	Y49-Q95 HydrophobicContact CE2-CB 3.99Å; Y49-Q95 HydrophobicContact CE2-CG 4.17Å; W90-Q95 HydrophobicContact CH2-CB 4.33Å; W90-Q95 WeakPolarHBondContact CH2-O 3.12Å; W90-Q95 HydrophobicContact CZ2-CB 3.9Å; D91-Q95 WeakPolarHBondContact O-CA 3.46Å; D91-Q95 PolarHBondContact O-N 2.88Å; I93-Q95 VanDerWaalsContact C-N 3.34Å
96	Q	93.3	Very high	95.8	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.7	179	68.9	-177.1	8.9	0	0	111.9	W90 D91 K94 V98	W90-Q96 VanDerWaalsContact CZ3-CA 3.46Å; D91-Q96 PolarHBondContact N-O 3.4Å; D91-Q96 PolarHBondContact O-N 2.84Å; K94-Q96 VanDerWaalsContact C-N 3.31Å; K94-Q96 HydrophobicContact CB-CG 3.78Å; K94-Q96 PolarHBondContact O-N 2.64Å; Q96-V98 HydrophobicContact CG-CG1 4.09Å; Q96-V98 PolarHBondContact O-N 2.93Å
97	F	93.6	Very high	95.9	Very high	59 Å²	59	51.4 Å²	51.4	26%	0.259	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.7	166.1	-61.8	-70.5	0	0	0	109.9	F51 I73 L82 C88 L89 W90	F51-F97 AromaticContact CE1-CE2 3.84Å; F51-F97 HydrophobicContact CE1-CE2 3.84Å; F51-F97 AromaticContact CE1-CZ 3.76Å; F51-F97 HydrophobicContact CE1-CZ 3.76Å; F51-F97 AromaticContact CZ-CZ 3.98Å; F51-F97 HydrophobicContact CZ-CZ 3.98Å; I73-F97 HydrophobicContact CB-CE1 4.38Å; I73-F97 HydrophobicContact CD1-CE1 4.3Å; I73-F97 HydrophobicContact CG2-CE1 4.33Å; L82-F97 HydrophobicContact CD1-CE1 4.29Å; L82-F97 HydrophobicContact CD1-CZ 3.98Å; L82-F97 HydrophobicContact CD2-CE2 4.39Å; L82-F97 HydrophobicContact CD2-CZ 4.24Å; C88-F97 HydrophobicContact CB-CD1 3.5Å; C88-F97 HydrophobicContact CB-CE1 3.81Å; C88-F97 HydrophobicContact CB-CG 4.41Å; L89-F97 CarbonylContact O-C 3.58Å; L89-F97 WeakPolarHBondContact O-CA 3.41Å; W90-F97 HydrophobicContact CB-CD1 4.37Å; W90-F97 HydrophobicContact CB-CE1 4.46Å; W90-F97 AromaticContact CE3-CD1 3.82Å; W90-F97 HydrophobicContact CE3-CD1 3.82Å; W90-F97 HydrophobicContact CE3-CD2 4.17Å; W90-F97 AromaticContact CE3-CE1 3.79Å; W90-F97 HydrophobicContact CE3-CE1 3.79Å; W90-F97 HydrophobicContact CE3-CE2 4.13Å; W90-F97 HydrophobicContact CE3-CG 4.02Å; W90-F97 AromaticContact CE3-CZ 3.94Å; W90-F97 HydrophobicContact CE3-CZ 3.94Å; W90-F97 HydrophobicContact CZ3-CD2 4.16Å; W90-F97 HydrophobicContact CZ3-CE1 4.5Å; W90-F97 HydrophobicContact CZ3-CE2 4.04Å; W90-F97 HydrophobicContact CZ3-CG 4.44Å; W90-F97 HydrophobicContact CZ3-CZ 4.22Å
98	V	96.2	Very high	95.9	Very high	48 Å²	48	55.2 Å²	55.2	29%	0.291	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-12.6	-177.6	-67.2	0	0	0	0	113.3	L89 D91 K94 Q96	L89-V98 HydrophobicContact CB-CG2 3.97Å; L89-V98 PolarHBondContact O-N 3Å; D91-V98 HydrophobicContact CB-CB 4.49Å; D91-V98 HydrophobicContact CB-CG1 3.5Å; D91-V98 HydrophobicContact CB-CG2 4.15Å; K94-V98 HydrophobicContact CD-CG1 4.34Å; Q96-V98 HydrophobicContact CG-CG1 4.09Å; Q96-V98 PolarHBondContact O-N 2.93Å
99	L	96.8	Very high	96	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.126	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	141.4	178.2	177.2	68.1	0	0	0	110	C88 L89 I101 I117 P134	C88-L99 CarbonylContact C-O 3.56Å; C88-L99 VanDerWaalsContact CA-O 3.29Å; C88-L99 WeakPolarHBondContact CA-O 3.1Å; L89-L99 HydrophobicContact CB-CB 4.04Å; L89-L99 HydrophobicContact CD1-CB 4.19Å; L89-L99 HydrophobicContact CD1-CD2 3.66Å; L89-L99 HydrophobicContact CG-CB 4.2Å; L89-L99 HydrophobicContact CG-CD2 4.05Å; L89-L99 PolarHBondContact N-O 2.82Å; L99-I101 HydrophobicContact CD2-CD1 4.22Å; L99-I101 HydrophobicContact CD2-CG1 4.22Å; L99-I101 HydrophobicContact CG-CG1 4.27Å; L99-I117 HydrophobicContact CD2-CD1 3.63Å; L99-P134 HydrophobicContact CD1-CG 3.6Å; L99-P134 HydrophobicContact CD2-CG 3.42Å; L99-P134 VanDerWaalsContact CD2-CG 3.42Å; L99-P134 HydrophobicContact CG-CG 4.08Å
100	E	96.2	Very high	96	Very high	116 Å²	116	55 Å²	55	54%	0.542	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.4	170.6	-61.8	-173.3	166.8	0	0	109.6	V86	V86-E100 HydrophobicContact CG1-CB 4Å; V86-E100 HydrophobicContact CG1-CG 4.39Å
101	I	97.7	Very high	96.1	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.077	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	104.3	174.9	-56.6	179.3	0	0	0	108.3	A87 L99 I117 I119 Y128 P134	A87-I101 PolarHBondContact N-O 3.01Å; A87-I101 PolarHBondContact O-N 2.85Å; L99-I101 HydrophobicContact CD2-CD1 4.22Å; L99-I101 HydrophobicContact CD2-CG1 4.22Å; L99-I101 HydrophobicContact CG-CG1 4.27Å; I101-I117 HydrophobicContact CD1-CD1 4.28Å; I101-I117 HydrophobicContact CD1-CG2 3.98Å; I101-I119 HydrophobicContact CD1-CD1 4.44Å; I101-I119 HydrophobicContact CD1-CG1 4.44Å; I101-I119 HydrophobicContact CG2-CG1 4.4Å; I101-Y128 HydrophobicContact CD1-CD2 4.43Å; I101-Y128 HydrophobicContact CD1-CG 4.43Å; I101-Y128 HydrophobicContact CG2-CE1 4.36Å; I101-Y128 HydrophobicContact CG2-CE2 4.28Å; I101-P134 HydrophobicContact CD1-CB 4.29Å; I101-P134 HydrophobicContact CD1-CG 4.12Å; I101-P134 HydrophobicContact CG1-CG 4.35Å
102	T	97.3	Very high	96.1	Very high	93 Å²	93	55.5 Å²	55.5	57%	0.571	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	129.5	176.8	-53.7	0	0	0	0	111	V86	V86-T102 HydrophobicContact CG2-CG2 4.17Å
103	C	97.1	Very high	96.2	Very high	10 Å²	10	55.1 Å²	55.1	7%	0.068	29%	0.29	C	S	.	.			trans	-111.3	162.8	179.5	-66.1	0	0	0	0	111.7	N85 T105 V107 L121	N85-C103 PolarHBondContact ND2-O 3.06Å; N85-C103 PolarHBondContact O-N 3.23Å; C103-T105 VanDerWaalsContact C-N 3.26Å; C103-T105 PolarHBondContact O-N 2.95Å; C103-V107 HydrophobicContact CB-CG2 4.11Å; C103-L121 HydrophobicContact CB-CD1 4.48Å; C103-L121 HydrophobicContact CB-CD2 3.8Å
104	A	93.8	Very high	96	Very high	103 Å²	103	51.9 Å²	51.9	85%	0.851	27%	0.271	S	S	*	.	S	Bend	trans	-72	-18.8	177.7	0	0	0	0	0	113.7
105	T	96	Very high	95.9	Very high	70 Å²	70	47.8 Å²	47.8	43%	0.429	25%	0.254	S	S	.	.	S	Bend	trans	-138.9	169.2	179.2	67.3	0	0	0	0	110	C103 V107	C103-T105 VanDerWaalsContact C-N 3.26Å; C103-T105 PolarHBondContact O-N 2.95Å; T105-V107 PolarHBondContact O-N 2.7Å
106	D	96.4	Very high	96	Very high	54 Å²	54	43.6 Å²	43.6	29%	0.289	23%	0.233	S	C	.	.			trans	-47.3	134.6	172.5	-69.4	-7.2	0	0	0	113.4	S84 R108	S84-D106 WeakPolarHBondContact CB-OD1 3.45Å; S84-D106 CarbonylContact O-C 3.6Å; S84-D106 WeakPolarHBondContact O-CA 3.23Å; S84-D106 PolarHBondContact OG-OD1 3.27Å; D106-R108 IonicContact OD2-CZ 3.91Å; D106-R108 IonicContact OD2-NH1 3.55Å; D106-R108 IonicContact OD2-NH2 2.82Å; D106-R108 PolarHBondContact OD2-NH2 2.76Å
107	V	98.1	Very high	96.2	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.055	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.9	172.6	-177	0	0	0	0	109.1	L74 S84 A87 C103 T105 G109 I119 L121	L74-V107 HydrophobicContact CD1-CB 4.35Å; L74-V107 HydrophobicContact CD1-CG1 3.82Å; L74-V107 HydrophobicContact CD2-CB 4.13Å; L74-V107 HydrophobicContact CD2-CG1 3.68Å; L74-V107 HydrophobicContact CG-CG1 4.45Å; S84-V107 PolarHBondContact O-N 3.39Å; A87-V107 HydrophobicContact CB-CG1 4.26Å; A87-V107 HydrophobicContact CB-CG2 4.42Å; C103-V107 HydrophobicContact CB-CG2 4.11Å; T105-V107 PolarHBondContact O-N 2.7Å; V107-G109 WeakPolarHBondContact CG1-O 3.37Å; V107-I119 HydrophobicContact CG1-CG2 3.84Å; V107-I119 HydrophobicContact CG2-CG2 4.08Å; V107-L121 HydrophobicContact CG2-CD2 3.98Å
108	R	97.8	Very high	96.4	Very high	81 Å²	81	36 Å²	36	31%	0.306	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-9.3	177.5	-58.9	-57.8	178.3	-162.5	-10.3	113.1	R4 D106 I120 V122	R4-R108 PolarHBondContact NH1-O 2.9Å; R4-R108 PolarHBondContact NH2-O 3.47Å; D106-R108 IonicContact OD2-CZ 3.91Å; D106-R108 IonicContact OD2-NH1 3.55Å; D106-R108 IonicContact OD2-NH2 2.82Å; D106-R108 PolarHBondContact OD2-NH2 2.76Å; R108-I120 WeakPolarHBondContact CA-O 3.34Å; R108-I120 PolarHBondContact N-O 2.79Å; R108-V122 HydrophobicContact CG-CG2 3.66Å
109	G	98.1	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	156.5	172.6	0	0	0	0	0	112.3	V107 I120	V107-G109 WeakPolarHBondContact CG1-O 3.37Å; G109-I120 PolarHBondContact N-O 3.1Å; G109-I120 VanDerWaalsContact O-CD1 3.3Å; G109-I120 WeakPolarHBondContact O-CD1 3.46Å; G109-I120 PolarHBondContact O-N 3.39Å
110	I	98.4	Very high	96.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.4	164.5	-179.1	163.2	0	0	0	107.2	Y61 E63 L74 A87 L89 L112 I117 I118 I119	Y61-I110 HydrophobicContact CD1-CG2 3.95Å; Y61-I110 HydrophobicContact CE1-CG2 3.95Å; Y61-I110 WeakPolarHBondContact CE1-O 3.34Å; E63-I110 HydrophobicContact CB-CG2 4.12Å; L74-I110 HydrophobicContact CD2-CG2 4.3Å; L74-I110 HydrophobicContact CG-CG2 4.35Å; A87-I110 HydrophobicContact CB-CD1 4.22Å; L89-I110 HydrophobicContact CD2-CD1 4.06Å; I110-L112 HydrophobicContact CD1-CD2 4.06Å; I110-L112 HydrophobicContact CG1-CD2 4Å; I110-I117 HydrophobicContact CD1-CG2 3.98Å; I110-I117 HydrophobicContact CG1-CG2 4.24Å; I110-I118 CarbonylContact C-O 3.58Å; I110-I118 WeakPolarHBondContact CA-O 3.47Å; I110-I119 HydrophobicContact CB-CD1 4.26Å; I110-I119 HydrophobicContact CD1-CD1 3.93Å; I110-I119 HydrophobicContact CG1-CD1 3.94Å
111	R	98.2	Very high	96.7	Very high	28 Å²	28	27.5 Å²	27.5	11%	0.106	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.6	168.4	-62.5	-71	-176.6	-79.1	1.6	108.7	Y61 E63 I118 I120 G148 C150 V152	Y61-R111 VanDerWaalsContact CZ-NH1 3.34Å; Y61-R111 VanDerWaalsContact OH-CZ 3.26Å; Y61-R111 PolarHBondContact OH-NH1 3.25Å; E63-R111 WeakPolarHBondContact OE1-CD 3.18Å; R111-I118 HydrophobicContact CB-CB 4.11Å; R111-I118 PolarHBondContact N-O 2.78Å; R111-I118 PolarHBondContact O-N 3.36Å; R111-I120 HydrophobicContact CG-CD1 3.93Å; R111-G148 PolarHBondContact NH2-O 3.32Å; R111-C150 HydrophobicContact CG-CB 4.31Å; R111-C150 PolarHBondContact NE-O 3.43Å; R111-C150 PolarHBondContact NH2-O 3.45Å; R111-V152 HydrophobicContact CB-CB 4.49Å; R111-V152 HydrophobicContact CB-CG2 3.58Å; R111-V152 HydrophobicContact CG-CG2 4.13Å
112	L	97.3	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.3	-178	-58.2	179.9	0	0	0	110.4	E63 L65 L89 I110 I117 F130 Q154	E63-L112 HydrophobicContact CB-CG 4.45Å; E63-L112 HydrophobicContact CG-CB 4.21Å; E63-L112 HydrophobicContact CG-CD1 4.4Å; E63-L112 HydrophobicContact CG-CG 3.98Å; L65-L112 HydrophobicContact CB-CB 4.14Å; L65-L112 HydrophobicContact CB-CD1 4.08Å; L65-L112 HydrophobicContact CD1-CB 4.08Å; L89-L112 HydrophobicContact CD2-CD1 4.08Å; L89-L112 HydrophobicContact CD2-CD2 3.75Å; I110-L112 HydrophobicContact CD1-CD2 4.06Å; I110-L112 HydrophobicContact CG1-CD2 4Å; L112-I117 HydrophobicContact CD2-CB 4.5Å; L112-I117 HydrophobicContact CD2-CG1 4.18Å; L112-I117 HydrophobicContact CD2-CG2 4.15Å; L112-F130 HydrophobicContact CD2-CE2 4.13Å; L112-Q154 PolarHBondContact O-NE2 2.81Å
113	R	95	Very high	96.7	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159	162.2	-171.2	174.2	-179.6	-117.5	5.4	106.4	D115 R116 F130 V152 C153 S155 V156	R113-D115 VanDerWaalsContact CD-OD1 3.31Å; R113-D115 WeakPolarHBondContact CD-OD1 3.49Å; R113-D115 VanDerWaalsContact CG-OD1 3.32Å; R113-D115 WeakPolarHBondContact CG-OD1 3.3Å; R113-D115 IonicContact CZ-OD1 3.56Å; R113-D115 IonicContact CZ-OD2 2.84Å; R113-D115 IonicContact NE-OD1 2.84Å; R113-D115 IonicContact NH1-OD1 2.86Å; R113-D115 PolarHBondContact NH1-OD1 2.8Å; R113-D115 IonicContact NH1-OD2 2.8Å; R113-D115 PolarHBondContact NH1-OD2 3.22Å; R113-D115 PolarHBondContact O-N 3.29Å; R113-R116 HydrophobicContact CB-CB 4.34Å; R113-R116 PolarHBondContact N-O 3.31Å; R113-R116 PolarHBondContact O-N 3.2Å; R113-F130 WeakPolarHBondContact O-CD2 3.48Å; R113-V152 HydrophobicContact CB-CG1 3.98Å; R113-V152 HydrophobicContact CG-CG1 4.43Å; R113-C153 PolarHBondContact NE-O 2.73Å; R113-S155 PolarHBondContact NH2-O 2.82Å; R113-V156 PolarHBondContact NH2-O 3.25Å
114	H	91.6	Very high	96.8	Very high	66 Å²	66	28.2 Å²	28.2	31%	0.306	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.2	-178.5	-74.9	-72.2	0	0	0	115	F66	F66-H114 AromaticContact CD2-NE2 3.35Å; F66-H114 WeakPolarHBondContact CD2-NE2 3.32Å; F66-H114 AromaticContact CE2-NE2 3.65Å
115	D	92.3	Very high	97	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.032	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-2.8	-176.5	64.4	-18.3	0	0	0	114.1	R113 F130	R113-D115 VanDerWaalsContact CD-OD1 3.31Å; R113-D115 WeakPolarHBondContact CD-OD1 3.49Å; R113-D115 VanDerWaalsContact CG-OD1 3.32Å; R113-D115 WeakPolarHBondContact CG-OD1 3.3Å; R113-D115 IonicContact CZ-OD1 3.56Å; R113-D115 IonicContact CZ-OD2 2.84Å; R113-D115 IonicContact NE-OD1 2.84Å; R113-D115 IonicContact NH1-OD1 2.86Å; R113-D115 PolarHBondContact NH1-OD1 2.8Å; R113-D115 IonicContact NH1-OD2 2.8Å; R113-D115 PolarHBondContact NH1-OD2 3.22Å; R113-D115 PolarHBondContact O-N 3.29Å; D115-F130 VanDerWaalsContact C-CB 3.47Å; D115-F130 PolarHBondContact O-N 2.94Å
116	R	95.2	Very high	97.1	Very high	24 Å²	24	21.7 Å²	21.7	9%	0.091	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.8	-175	-58.5	-65.6	179.1	-94.8	-2.2	112.6	R113 I118 V127 Y128 I137 G177	R113-R116 HydrophobicContact CB-CB 4.34Å; R113-R116 PolarHBondContact N-O 3.31Å; R113-R116 PolarHBondContact O-N 3.2Å; R116-I118 HydrophobicContact CB-CD1 3.81Å; R116-V127 HydrophobicContact CB-CG1 4.16Å; R116-V127 HydrophobicContact CG-CG1 4.33Å; R116-Y128 WeakPolarHBondContact CA-O 3.02Å; R116-I137 VanDerWaalsContact NE-CD1 3.29Å; R116-G177 PolarHBondContact NH2-O 3.39Å
117	I	97.7	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.2	167.7	-56.8	166.2	0	0	0	107.3	L89 L99 I101 I110 L112 I119 Y128 F130 P134	L89-I117 HydrophobicContact CD1-CD1 3.83Å; L99-I117 HydrophobicContact CD2-CD1 3.63Å; I101-I117 HydrophobicContact CD1-CD1 4.28Å; I101-I117 HydrophobicContact CD1-CG2 3.98Å; I110-I117 HydrophobicContact CD1-CG2 3.98Å; I110-I117 HydrophobicContact CG1-CG2 4.24Å; L112-I117 HydrophobicContact CD2-CB 4.5Å; L112-I117 HydrophobicContact CD2-CG1 4.18Å; L112-I117 HydrophobicContact CD2-CG2 4.15Å; I117-I119 HydrophobicContact CG2-CD1 3.91Å; I117-I119 HydrophobicContact CG2-CG1 4.42Å; I117-Y128 PolarHBondContact N-O 2.85Å; I117-Y128 PolarHBondContact O-N 3.03Å; I117-F130 HydrophobicContact CD1-CD1 4.28Å; I117-F130 HydrophobicContact CD1-CD2 4.41Å; I117-F130 HydrophobicContact CD1-CE1 4.49Å; I117-F130 HydrophobicContact CD1-CG 4.23Å; I117-F130 HydrophobicContact CG1-CB 4.35Å; I117-F130 HydrophobicContact CG1-CD1 4.43Å; I117-F130 HydrophobicContact CG1-CD2 3.7Å; I117-F130 HydrophobicContact CG1-CE2 4.03Å; I117-F130 HydrophobicContact CG1-CG 3.93Å; I117-F130 HydrophobicContact CG1-CZ 4.49Å; I117-P134 HydrophobicContact CD1-CG 4.47Å
118	I	98.2	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.4	-180	-58.1	74	0	0	0	107.8	I110 R111 R116 I120 V125 K126 V127 V152 V161	I110-I118 CarbonylContact C-O 3.58Å; I110-I118 WeakPolarHBondContact CA-O 3.47Å; R111-I118 HydrophobicContact CB-CB 4.11Å; R111-I118 PolarHBondContact N-O 2.78Å; R111-I118 PolarHBondContact O-N 3.36Å; R116-I118 HydrophobicContact CB-CD1 3.81Å; I118-I120 HydrophobicContact CG2-CD1 4.16Å; I118-V125 HydrophobicContact CG2-CG1 3.71Å; I118-K126 CarbonylContact C-O 3.58Å; I118-K126 WeakPolarHBondContact CA-O 3.04Å; I118-V127 HydrophobicContact CB-CG2 4.44Å; I118-V127 HydrophobicContact CG1-CG1 4.13Å; I118-V127 HydrophobicContact CG1-CG2 3.93Å; I118-V127 HydrophobicContact CG2-CG2 4.15Å; I118-V152 HydrophobicContact CB-CG2 4.37Å; I118-V152 HydrophobicContact CD1-CG1 4.18Å; I118-V152 HydrophobicContact CD1-CG2 3.73Å; I118-V152 HydrophobicContact CG1-CG2 3.83Å; I118-V161 HydrophobicContact CG1-CG2 4.45Å; I118-V161 HydrophobicContact CG2-CG1 4.48Å
119	I	98.6	Very high	96.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.1	176.8	-56.3	-56.3	0	0	0	109.2	A87 I101 V107 I110 I117 L121 V125 K126 Y128	A87-I119 HydrophobicContact CB-CD1 3.6Å; I101-I119 HydrophobicContact CD1-CD1 4.44Å; I101-I119 HydrophobicContact CD1-CG1 4.44Å; I101-I119 HydrophobicContact CG2-CG1 4.4Å; V107-I119 HydrophobicContact CG1-CG2 3.84Å; V107-I119 HydrophobicContact CG2-CG2 4.08Å; I110-I119 HydrophobicContact CB-CD1 4.26Å; I110-I119 HydrophobicContact CD1-CD1 3.93Å; I110-I119 HydrophobicContact CG1-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CD1 3.91Å; I117-I119 HydrophobicContact CG2-CG1 4.42Å; I119-L121 HydrophobicContact CG2-CD2 3.95Å; I119-V125 WeakPolarHBondContact O-CA 3.49Å; I119-K126 HydrophobicContact CB-CB 4.47Å; I119-K126 PolarHBondContact N-O 2.74Å; I119-K126 PolarHBondContact O-N 3.41Å; I119-Y128 HydrophobicContact CB-CE2 4.19Å; I119-Y128 HydrophobicContact CG1-CD2 4.03Å; I119-Y128 HydrophobicContact CG1-CE2 3.77Å
120	I	98.6	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.5	-179.8	-55.8	84.5	0	0	0	108.1	R108 G109 R111 I118 V125 N145 C150	R108-I120 WeakPolarHBondContact CA-O 3.34Å; R108-I120 PolarHBondContact N-O 2.79Å; G109-I120 PolarHBondContact N-O 3.1Å; G109-I120 VanDerWaalsContact O-CD1 3.3Å; G109-I120 WeakPolarHBondContact O-CD1 3.46Å; G109-I120 PolarHBondContact O-N 3.39Å; R111-I120 HydrophobicContact CG-CD1 3.93Å; I118-I120 HydrophobicContact CG2-CD1 4.16Å; I120-V125 HydrophobicContact CG1-CG2 4.44Å; I120-V125 HydrophobicContact CG2-CG2 4.32Å; I120-N145 WeakPolarHBondContact CG2-ND2 3.44Å; I120-C150 HydrophobicContact CD1-CB 3.78Å; I120-C150 HydrophobicContact CG1-CB 3.42Å; I120-C150 VanDerWaalsContact CG1-CB 3.42Å
121	L	98.4	Very high	96.5	Very high	9 Å²	9	20.8 Å²	20.8	5%	0.047	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	177	171.5	-52.5	-176.3	0	0	0	109.6	C103 V107 I119 N123 A124 K126	C103-L121 HydrophobicContact CB-CD1 4.48Å; C103-L121 HydrophobicContact CB-CD2 3.8Å; V107-L121 HydrophobicContact CG2-CD2 3.98Å; I119-L121 HydrophobicContact CG2-CD2 3.95Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.37Å; L121-A124 WeakPolarHBondContact CA-O 3.32Å; L121-A124 HydrophobicContact CB-CB 4.38Å; L121-A124 WeakPolarHBondContact CB-O 3.46Å; L121-A124 HydrophobicContact CD1-CB 4.36Å; L121-A124 PolarHBondContact N-O 2.85Å; L121-K126 HydrophobicContact CD1-CD 4.47Å
122	V	96.8	Very high	96.2	Very high	32 Å²	32	22.5 Å²	22.5	19%	0.194	12%	0.12	C	C	.	.	S	Bend	trans	-61.7	-39.4	176.9	-179.3	0	0	0	0	111.8	R108 N145	R108-V122 HydrophobicContact CG-CG2 3.66Å; V122-N145 WeakPolarHBondContact O-CA 3.45Å; V122-N145 WeakPolarHBondContact O-CB 3.31Å; V122-N145 PolarHBondContact O-N 3.46Å
123	N	97.5	Very high	96.1	Very high	92 Å²	92	26.6 Å²	26.6	49%	0.492	15%	0.149	S	C	.	.	S	Bend	trans	-125.3	11.8	-173.2	-65	-25	0	0	0	113.5	L121 N141 T142	L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.37Å; N123-N141 CarbonylContact O-C 3.54Å; N123-N141 WeakPolarHBondContact O-CA 3.26Å; N123-T142 WeakPolarHBondContact CA-OG1 3.41Å; N123-T142 PolarHBondContact O-N 2.9Å; N123-T142 PolarHBondContact O-OG1 3.3Å
124	A	98.1	Very high	96.2	Very high	9 Å²	9	27.6 Å²	27.6	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.8	-178.7	0	0	0	0	0	112	L121 S140 T142	L121-A124 WeakPolarHBondContact CA-O 3.32Å; L121-A124 HydrophobicContact CB-CB 4.38Å; L121-A124 WeakPolarHBondContact CB-O 3.46Å; L121-A124 HydrophobicContact CD1-CB 4.36Å; L121-A124 PolarHBondContact N-O 2.85Å; A124-S140 CarbonylContact C-O 3.55Å; A124-S140 VanDerWaalsContact CA-O 3.3Å; A124-S140 WeakPolarHBondContact CA-O 3.24Å; A124-T142 PolarHBondContact N-OG1 3.05Å
125	V	98.3	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.8	166.7	173.4	0	0	0	0	108	I118 I119 I120 V127 E139 S140 T142 F163	I118-V125 HydrophobicContact CG2-CG1 3.71Å; I119-V125 WeakPolarHBondContact O-CA 3.49Å; I120-V125 HydrophobicContact CG1-CG2 4.44Å; I120-V125 HydrophobicContact CG2-CG2 4.32Å; V125-V127 HydrophobicContact CG1-CG2 4.48Å; V125-E139 WeakPolarHBondContact O-CA 3.25Å; V125-S140 PolarHBondContact N-O 2.71Å; V125-S140 PolarHBondContact O-N 2.84Å; V125-T142 HydrophobicContact CG2-CG2 3.93Å; V125-F163 HydrophobicContact CB-CD1 4.46Å; V125-F163 HydrophobicContact CB-CD2 4.29Å; V125-F163 HydrophobicContact CB-CE2 4.42Å; V125-F163 HydrophobicContact CB-CG 4.32Å; V125-F163 HydrophobicContact CG1-CD1 4.28Å; V125-F163 HydrophobicContact CG1-CE1 4.44Å; V125-F163 HydrophobicContact CG2-CB 3.95Å; V125-F163 HydrophobicContact CG2-CD1 4.37Å; V125-F163 HydrophobicContact CG2-CD2 3.87Å; V125-F163 HydrophobicContact CG2-CE2 4.47Å; V125-F163 HydrophobicContact CG2-CG 3.82Å
126	K	97.9	Very high	96.5	Very high	36 Å²	36	33.7 Å²	33.7	16%	0.157	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.7	178.2	-63.1	-170.4	-174.8	-119.7	0	109.6	I118 I119 L121 Y128 L136 F138 E139	I118-K126 CarbonylContact C-O 3.58Å; I118-K126 WeakPolarHBondContact CA-O 3.04Å; I119-K126 HydrophobicContact CB-CB 4.47Å; I119-K126 PolarHBondContact N-O 2.74Å; I119-K126 PolarHBondContact O-N 3.41Å; L121-K126 HydrophobicContact CD1-CD 4.47Å; K126-Y128 HydrophobicContact CB-CD2 4.38Å; K126-Y128 HydrophobicContact CB-CE2 3.56Å; K126-Y128 HydrophobicContact CD-CE2 4.41Å; K126-Y128 WeakPolarHBondContact CD-OH 3.38Å; K126-L136 HydrophobicContact CB-CD1 3.74Å; K126-L136 HydrophobicContact CD-CD1 4.25Å; K126-L136 HydrophobicContact CG-CD1 4.18Å; K126-F138 CarbonylContact C-O 3.51Å; K126-F138 WeakPolarHBondContact CA-O 2.94Å; K126-E139 VanDerWaalsContact CE-CD 3.5Å; K126-E139 WeakPolarHBondContact CE-OE1 3.38Å; K126-E139 HydrophobicContact CG-CB 4.4Å; K126-E139 HydrophobicContact CG-CG 4.03Å; K126-E139 IonicContact NZ-OE1 2.91Å; K126-E139 PolarHBondContact NZ-OE1 3.18Å; K126-E139 IonicContact NZ-OE2 3.75Å; K126-E139 PolarHBondContact NZ-OE2 2.72Å
127	V	97	Very high	96.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.6	178.7	-175.5	0	0	0	0	109.3	R116 I118 V125 I137 F138 I176	R116-V127 HydrophobicContact CB-CG1 4.16Å; R116-V127 HydrophobicContact CG-CG1 4.33Å; I118-V127 HydrophobicContact CB-CG2 4.44Å; I118-V127 HydrophobicContact CG1-CG1 4.13Å; I118-V127 HydrophobicContact CG1-CG2 3.93Å; I118-V127 HydrophobicContact CG2-CG2 4.15Å; V125-V127 HydrophobicContact CG1-CG2 4.48Å; V127-I137 HydrophobicContact CB-CG1 4.38Å; V127-I137 HydrophobicContact CG1-CD1 4.19Å; V127-I137 HydrophobicContact CG1-CG1 4.16Å; V127-I137 VanDerWaalsContact O-CG1 3.23Å; V127-I137 WeakPolarHBondContact O-CG1 3.32Å; V127-I137 PolarHBondContact O-N 3.38Å; V127-F138 HydrophobicContact CB-CB 4.17Å; V127-F138 HydrophobicContact CG2-CD1 4.06Å; V127-F138 PolarHBondContact N-O 3.44Å; V127-F138 PolarHBondContact O-N 3.19Å; V127-I176 HydrophobicContact CB-CD1 3.89Å; V127-I176 HydrophobicContact CG1-CD1 3.85Å; V127-I176 HydrophobicContact CG1-CG2 4.2Å; V127-I176 HydrophobicContact CG2-CD1 3.49Å; V127-I176 VanDerWaalsContact CG2-CD1 3.49Å
128	Y	97	Very high	96.3	Very high	27 Å²	27	38 Å²	38	11%	0.106	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.5	-176.8	-60.9	-100.6	0	0	0	110.8	I101 R116 I117 I119 K126 P134 Q135 L136	I101-Y128 HydrophobicContact CD1-CD2 4.43Å; I101-Y128 HydrophobicContact CD1-CG 4.43Å; I101-Y128 HydrophobicContact CG2-CE1 4.36Å; I101-Y128 HydrophobicContact CG2-CE2 4.28Å; R116-Y128 WeakPolarHBondContact CA-O 3.02Å; I117-Y128 PolarHBondContact N-O 2.85Å; I117-Y128 PolarHBondContact O-N 3.03Å; I119-Y128 HydrophobicContact CB-CE2 4.19Å; I119-Y128 HydrophobicContact CG1-CD2 4.03Å; I119-Y128 HydrophobicContact CG1-CE2 3.77Å; K126-Y128 HydrophobicContact CB-CD2 4.38Å; K126-Y128 HydrophobicContact CB-CE2 3.56Å; K126-Y128 HydrophobicContact CD-CE2 4.41Å; K126-Y128 WeakPolarHBondContact CD-OH 3.38Å; Y128-P134 HydrophobicContact CD1-CB 4.1Å; Y128-P134 HydrophobicContact CG-CB 4.35Å; Y128-Q135 CarbonylContact C-O 3.58Å; Y128-Q135 WeakPolarHBondContact CA-O 3.42Å; Y128-L136 HydrophobicContact CD1-CB 4.06Å; Y128-L136 HydrophobicContact CD1-CD1 4.37Å; Y128-L136 HydrophobicContact CD2-CD1 4.45Å; Y128-L136 HydrophobicContact CE1-CB 3.83Å; Y128-L136 HydrophobicContact CE1-CD1 3.98Å; Y128-L136 HydrophobicContact CE1-CG 4.5Å; Y128-L136 HydrophobicContact CE2-CD1 4.05Å
129	T	95.1	Very high	96.2	Very high	36 Å²	36	42.1 Å²	42.1	22%	0.221	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	148	163.3	59.6	0	0	0	0	110.6	S131 Q135 I137	T129-S131 PolarHBondContact O-N 3.34Å; T129-S131 PolarHBondContact OG1-OG 2.89Å; T129-Q135 HydrophobicContact CG2-CB 4.21Å; T129-Q135 PolarHBondContact N-O 3.06Å; T129-Q135 PolarHBondContact OG1-N 2.79Å; T129-I137 HydrophobicContact CG2-CG2 3.78Å
130	F	94.3	Very high	96.2	Very high	34 Å²	34	43.2 Å²	43.2	15%	0.149	24%	0.235	C	C	.	.	S	Bend	trans	-89.2	86.6	171.3	-152.4	-46.8	0	0	0	109.9	L65 L70 L89 L112 R113 D115 I117	L65-F130 HydrophobicContact CD2-CE2 4.11Å; L70-F130 HydrophobicContact CD1-CE1 3.98Å; L70-F130 HydrophobicContact CD1-CZ 3.73Å; L89-F130 HydrophobicContact CD1-CE1 3.64Å; L89-F130 HydrophobicContact CD1-CZ 3.66Å; L112-F130 HydrophobicContact CD2-CE2 4.13Å; R113-F130 WeakPolarHBondContact O-CD2 3.48Å; D115-F130 VanDerWaalsContact C-CB 3.47Å; D115-F130 PolarHBondContact O-N 2.94Å; I117-F130 HydrophobicContact CD1-CD1 4.28Å; I117-F130 HydrophobicContact CD1-CD2 4.41Å; I117-F130 HydrophobicContact CD1-CE1 4.49Å; I117-F130 HydrophobicContact CD1-CG 4.23Å; I117-F130 HydrophobicContact CG1-CB 4.35Å; I117-F130 HydrophobicContact CG1-CD1 4.43Å; I117-F130 HydrophobicContact CG1-CD2 3.7Å; I117-F130 HydrophobicContact CG1-CE2 4.03Å; I117-F130 HydrophobicContact CG1-CG 3.93Å; I117-F130 HydrophobicContact CG1-CZ 4.49Å
131	S	93.2	Very high	96.1	Very high	29 Å²	29	47.1 Å²	47.1	20%	0.203	26%	0.256	C	S	.	.	S	Bend	trans	-144.5	163.6	-178.7	52	0	0	0	0	110.7	T129 S133 P134	T129-S131 PolarHBondContact O-N 3.34Å; T129-S131 PolarHBondContact OG1-OG 2.89Å; S131-S133 PolarHBondContact O-N 2.96Å; S131-S133 VanDerWaalsContact O-N 3.16Å; S131-S133 PolarHBondContact OG-O 2.84Å; S131-P134 WeakPolarHBondContact O-CD 3.3Å; S131-P134 WeakPolarHBondContact O-CG 3.16Å
132	P	92	Very high	96.1	Very high	64 Å²	64	47.2 Å²	47.2	42%	0.416	26%	0.257	S	S	.	.	S	Bend	trans	-60	-24	175.3	-22.7	33.8	0	0	0	113.4	I218	P132-I218 HydrophobicContact CB-CD1 4Å; P132-I218 HydrophobicContact CG-CB 3.85Å; P132-I218 HydrophobicContact CG-CD1 3.52Å; P132-I218 HydrophobicContact CG-CG1 4.22Å; P132-I218 HydrophobicContact CG-CG2 4.01Å
133	S	95.2	Very high	96.1	Very high	86 Å²	86	46.8 Å²	46.8	60%	0.601	26%	0.255	S	S	*	.	S	Bend	trans	-122.8	84.1	170.3	-53.7	0	0	0	0	109.2	S131 Q135	S131-S133 PolarHBondContact O-N 2.96Å; S131-S133 VanDerWaalsContact O-N 3.16Å; S131-S133 PolarHBondContact OG-O 2.84Å; S133-Q135 PolarHBondContact O-N 2.64Å; S133-Q135 PolarHBondContact O-NE2 2.9Å
134	P	96.4	Very high	96.1	Very high	28 Å²	28	46.1 Å²	46.1	18%	0.182	26%	0.258	C	S	.	.			trans	-61.1	132.4	-175.6	-19.7	28.9	0	0	0	112.3	L99 I101 I117 Y128 S131	L99-P134 HydrophobicContact CD1-CG 3.6Å; L99-P134 HydrophobicContact CD2-CG 3.42Å; L99-P134 VanDerWaalsContact CD2-CG 3.42Å; L99-P134 HydrophobicContact CG-CG 4.08Å; I101-P134 HydrophobicContact CD1-CB 4.29Å; I101-P134 HydrophobicContact CD1-CG 4.12Å; I101-P134 HydrophobicContact CG1-CG 4.35Å; I117-P134 HydrophobicContact CD1-CG 4.47Å; Y128-P134 HydrophobicContact CD1-CB 4.1Å; Y128-P134 HydrophobicContact CG-CB 4.35Å; S131-P134 WeakPolarHBondContact O-CD 3.3Å; S131-P134 WeakPolarHBondContact O-CG 3.16Å
135	Q	95.8	Very high	96.1	Very high	121 Å²	121	45.9 Å²	45.9	57%	0.565	26%	0.255	S	S	*	.			trans	-104.4	132.5	174.7	-60.7	-58.4	-47.4	0	0	109.7	Y128 T129 S133 I137	Y128-Q135 CarbonylContact C-O 3.58Å; Y128-Q135 WeakPolarHBondContact CA-O 3.42Å; T129-Q135 HydrophobicContact CG2-CB 4.21Å; T129-Q135 PolarHBondContact N-O 3.06Å; T129-Q135 PolarHBondContact OG1-N 2.79Å; S133-Q135 PolarHBondContact O-N 2.64Å; S133-Q135 PolarHBondContact O-NE2 2.9Å; Q135-I137 PolarHBondContact O-N 2.89Å
136	L	95.8	Very high	95.9	Very high	80 Å²	80	49.4 Å²	49.4	42%	0.419	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120	174.1	-179.7	69.7	0	0	0	109.3	K126 Y128 F138 E139	K126-L136 HydrophobicContact CB-CD1 3.74Å; K126-L136 HydrophobicContact CD-CD1 4.25Å; K126-L136 HydrophobicContact CG-CD1 4.18Å; Y128-L136 HydrophobicContact CD1-CB 4.06Å; Y128-L136 HydrophobicContact CD1-CD1 4.37Å; Y128-L136 HydrophobicContact CD2-CD1 4.45Å; Y128-L136 HydrophobicContact CE1-CB 3.83Å; Y128-L136 HydrophobicContact CE1-CD1 3.98Å; Y128-L136 HydrophobicContact CE1-CG 4.5Å; Y128-L136 HydrophobicContact CE2-CD1 4.05Å; L136-F138 WeakPolarHBondContact CD1-O 3.39Å; L136-E139 HydrophobicContact CD2-CB 4.49Å
137	I	93.8	Very high	95.7	Very high	67 Å²	67	51.2 Å²	51.2	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-19	-178.4	60.2	167.2	0	0	0	113.2	R116 V127 T129 Q135 I176	R116-I137 VanDerWaalsContact NE-CD1 3.29Å; V127-I137 HydrophobicContact CB-CG1 4.38Å; V127-I137 HydrophobicContact CG1-CD1 4.19Å; V127-I137 HydrophobicContact CG1-CG1 4.16Å; V127-I137 VanDerWaalsContact O-CG1 3.23Å; V127-I137 WeakPolarHBondContact O-CG1 3.32Å; V127-I137 PolarHBondContact O-N 3.38Å; T129-I137 HydrophobicContact CG2-CG2 3.78Å; Q135-I137 PolarHBondContact O-N 2.89Å; I137-I176 HydrophobicContact CD1-CG2 3.63Å; I137-I176 HydrophobicContact CG1-CG2 4.47Å
138	F	95	Very high	95.8	Very high	46 Å²	46	51.2 Å²	51.2	20%	0.202	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.9	177.4	175.4	-92.7	0	0	0	110.8	K126 V127 L136 F163 V174 I176	K126-F138 CarbonylContact C-O 3.51Å; K126-F138 WeakPolarHBondContact CA-O 2.94Å; V127-F138 HydrophobicContact CB-CB 4.17Å; V127-F138 HydrophobicContact CG2-CD1 4.06Å; V127-F138 PolarHBondContact N-O 3.44Å; V127-F138 PolarHBondContact O-N 3.19Å; L136-F138 WeakPolarHBondContact CD1-O 3.39Å; F138-F163 HydrophobicContact CE1-CE1 4.37Å; F138-F163 HydrophobicContact CE1-CZ 4.07Å; F138-F163 HydrophobicContact CZ-CZ 4.39Å; F138-V174 HydrophobicContact CD2-CG1 4.32Å; F138-V174 HydrophobicContact CE1-CG1 4.27Å; F138-V174 HydrophobicContact CE1-CG2 4.24Å; F138-V174 HydrophobicContact CE2-CG1 3.87Å; F138-V174 HydrophobicContact CE2-CG2 4.49Å; F138-V174 HydrophobicContact CZ-CB 4.37Å; F138-V174 HydrophobicContact CZ-CG1 3.85Å; F138-V174 HydrophobicContact CZ-CG2 3.78Å; F138-I176 HydrophobicContact CB-CD1 4.3Å; F138-I176 HydrophobicContact CD1-CD1 4.1Å; F138-I176 HydrophobicContact CG-CD1 4.25Å
139	E	96.5	Very high	95.8	Very high	88 Å²	88	51 Å²	51	41%	0.411	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.1	172	177.1	164	-170.2	0	0	109.8	V125 K126 L136	V125-E139 WeakPolarHBondContact O-CA 3.25Å; K126-E139 VanDerWaalsContact CE-CD 3.5Å; K126-E139 WeakPolarHBondContact CE-OE1 3.38Å; K126-E139 HydrophobicContact CG-CB 4.4Å; K126-E139 HydrophobicContact CG-CG 4.03Å; K126-E139 IonicContact NZ-OE1 2.91Å; K126-E139 PolarHBondContact NZ-OE1 3.18Å; K126-E139 IonicContact NZ-OE2 3.75Å; K126-E139 PolarHBondContact NZ-OE2 2.72Å; L136-E139 HydrophobicContact CD2-CB 4.49Å
140	S	96.8	Very high	96	Very high	22 Å²	22	49.5 Å²	49.5	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.8	173.4	177	0	0	0	0	111.3	A124 V125	A124-S140 CarbonylContact C-O 3.55Å; A124-S140 VanDerWaalsContact CA-O 3.3Å; A124-S140 WeakPolarHBondContact CA-O 3.24Å; V125-S140 PolarHBondContact N-O 2.71Å; V125-S140 PolarHBondContact O-N 2.84Å
141	N	97.3	Very high	96.1	Very high	82 Å²	82	49.4 Å²	49.4	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	145.4	167.7	-62.3	-17.2	0	0	0	110.9	N123 R166	N123-N141 CarbonylContact O-C 3.54Å; N123-N141 WeakPolarHBondContact O-CA 3.26Å; N141-R166 WeakPolarHBondContact O-CG 3.49Å
142	T	97.8	Very high	96.3	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.074	28%	0.278	C	S	.	.			trans	-121.5	169	175.4	66.4	0	0	0	0	109.9	N123 A124 V125 F163 P164	N123-T142 WeakPolarHBondContact CA-OG1 3.41Å; N123-T142 PolarHBondContact O-N 2.9Å; N123-T142 PolarHBondContact O-OG1 3.3Å; A124-T142 PolarHBondContact N-OG1 3.05Å; V125-T142 HydrophobicContact CG2-CG2 3.93Å; T142-F163 HydrophobicContact CG2-CD2 3.68Å; T142-F163 HydrophobicContact CG2-CE2 4.07Å; T142-P164 WeakPolarHBondContact CB-O 3.23Å; T142-P164 VanDerWaalsContact CG2-O 3.23Å; T142-P164 WeakPolarHBondContact CG2-O 3.4Å
143	C	97.5	Very high	96.6	Very high	22 Å²	22	45.3 Å²	45.3	15%	0.149	26%	0.259	C	S	.	.	S	Bend	trans	-65.2	174.2	155.6	67.8	0	0	0	0	109.6	N145 G165	C143-N145 PolarHBondContact O-N 2.85Å; C143-N145 VanDerWaalsContact O-N 3.1Å; C143-G165 WeakPolarHBondContact CB-O 3.37Å; C143-G165 PolarHBondContact N-O 3Å; C143-G165 PolarHBondContact SG-O 2.97Å; C143-G165 VanDerWaalsContact SG-O 3.36Å
144	S	97.3	Very high	96.6	Very high	79 Å²	79	42.8 Å²	42.8	55%	0.552	24%	0.237	S	C	*	.			trans	-52.6	121	172.6	-175.6	0	0	0	0	110.7	P146	S144-P146 WeakPolarHBondContact O-CD 3.44Å
145	N	97.2	Very high	96.4	Very high	3 Å²	3	43 Å²	43	2%	0.016	24%	0.239	C	C	.	.			trans	-125.8	59.5	-176.1	-170.4	12.1	0	0	0	110.6	I120 V122 C143 S147 G148 L149	I120-N145 WeakPolarHBondContact CG2-ND2 3.44Å; V122-N145 WeakPolarHBondContact O-CA 3.45Å; V122-N145 WeakPolarHBondContact O-CB 3.31Å; V122-N145 PolarHBondContact O-N 3.46Å; C143-N145 PolarHBondContact O-N 2.85Å; C143-N145 VanDerWaalsContact O-N 3.1Å; N145-S147 PolarHBondContact O-N 2.97Å; N145-G148 PolarHBondContact O-N 2.89Å; N145-G148 PolarHBondContact OD1-N 2.65Å; N145-L149 PolarHBondContact ND2-N 3.2Å; N145-L149 PolarHBondContact ND2-O 2.91Å; N145-L149 WeakPolarHBondContact OD1-CB 3.27Å; N145-L149 PolarHBondContact OD1-N 3.23Å
146	P	95.4	Very high	96	Very high	74 Å²	74	40.2 Å²	40.2	48%	0.481	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	-173.7	27.3	-35.5	0	0	0	112.7	S144 G148	S144-P146 WeakPolarHBondContact O-CD 3.44Å; P146-G148 VanDerWaalsContact C-N 3.3Å; P146-G148 PolarHBondContact O-N 3.02Å
147	S	94.3	Very high	95.7	Very high	74 Å²	74	42 Å²	42	52%	0.517	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.4	177.7	-53.7	0	0	0	0	113.6	N145	N145-S147 PolarHBondContact O-N 2.97Å
148	G	97.2	Very high	95.6	Very high	1 Å²	1	39 Å²	39	1%	0.01	23%	0.225	C	C	.	.			trans	66.9	39.2	-178.3	0	0	0	0	0	113.4	R111 N145 P146 C150	R111-G148 PolarHBondContact NH2-O 3.32Å; N145-G148 PolarHBondContact O-N 2.89Å; N145-G148 PolarHBondContact OD1-N 2.65Å; P146-G148 VanDerWaalsContact C-N 3.3Å; P146-G148 PolarHBondContact O-N 3.02Å; G148-C150 PolarHBondContact O-N 2.76Å
149	L	98	Very high	95.6	Very high	24 Å²	24	36.9 Å²	36.9	13%	0.126	22%	0.216	C	C	.	.			trans	-64.3	116	178.7	-60.1	-177	0	0	0	110	N145 P164 L243 A244 I246	N145-L149 PolarHBondContact ND2-N 3.2Å; N145-L149 PolarHBondContact ND2-O 2.91Å; N145-L149 WeakPolarHBondContact OD1-CB 3.27Å; N145-L149 PolarHBondContact OD1-N 3.23Å; L149-P164 HydrophobicContact CB-CG 3.82Å; L149-P164 HydrophobicContact CD1-CG 4.26Å; L149-P164 WeakPolarHBondContact O-CD 3.42Å; L149-L243 HydrophobicContact CD1-CB 3.88Å; L149-L243 WeakPolarHBondContact CD1-O 3.44Å; L149-A244 WeakPolarHBondContact CD2-O 3.17Å; L149-I246 HydrophobicContact CB-CD1 4.04Å; L149-I246 HydrophobicContact CB-CG1 4.26Å
150	C	98.5	Very high	95.6	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.027	20%	0.197	C	C	.	.			trans	-160.4	142.1	171.1	-179.2	0	0	0	0	107.4	R111 I120 G148 V162 F163	R111-C150 HydrophobicContact CG-CB 4.31Å; R111-C150 PolarHBondContact NE-O 3.43Å; R111-C150 PolarHBondContact NH2-O 3.45Å; I120-C150 HydrophobicContact CD1-CB 3.78Å; I120-C150 HydrophobicContact CG1-CB 3.42Å; I120-C150 VanDerWaalsContact CG1-CB 3.42Å; G148-C150 PolarHBondContact O-N 2.76Å; C150-V162 CarbonylContact C-O 3.55Å; C150-V162 VanDerWaalsContact CA-O 3.32Å; C150-V162 WeakPolarHBondContact CA-O 3.5Å; C150-F163 HydrophobicContact CB-CB 4.43Å
151	Y	98.2	Very high	95.6	Very high	32 Å²	32	31.9 Å²	31.9	13%	0.125	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.4	171.2	-159.1	-73.5	0	0	0	109.3	V162 T247 L248	Y151-V162 PolarHBondContact N-O 3.06Å; Y151-V162 PolarHBondContact O-N 3.03Å; Y151-T247 WeakPolarHBondContact CE2-OG1 3.47Å; Y151-L248 HydrophobicContact CD1-CB 3.69Å; Y151-L248 HydrophobicContact CD1-CD1 3.93Å; Y151-L248 HydrophobicContact CD1-CG 3.87Å; Y151-L248 HydrophobicContact CE1-CB 3.77Å; Y151-L248 HydrophobicContact CE1-CG 4.46Å; Y151-L248 HydrophobicContact CG-CB 4.48Å; Y151-L248 HydrophobicContact CG-CG 4.5Å
152	V	97.2	Very high	95.7	Very high	6 Å²	6	28 Å²	28	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.7	-178.4	-179.6	0	0	0	0	108.1	R111 R113 I118 Q154 V161	R111-V152 HydrophobicContact CB-CB 4.49Å; R111-V152 HydrophobicContact CB-CG2 3.58Å; R111-V152 HydrophobicContact CG-CG2 4.13Å; R113-V152 HydrophobicContact CB-CG1 3.98Å; R113-V152 HydrophobicContact CG-CG1 4.43Å; I118-V152 HydrophobicContact CB-CG2 4.37Å; I118-V152 HydrophobicContact CD1-CG1 4.18Å; I118-V152 HydrophobicContact CD1-CG2 3.73Å; I118-V152 HydrophobicContact CG1-CG2 3.83Å; V152-Q154 PolarHBondContact O-N 3.07Å; V152-Q154 PolarHBondContact O-NE2 3.19Å; V152-V161 HydrophobicContact CG1-CG2 4.31Å; V152-V161 HydrophobicContact CG2-CG1 4.17Å; V152-V161 HydrophobicContact CG2-CG2 4.3Å
153	C	97	Very high	95.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	17%	0.166	C	C	.	.			trans	-66	131.5	172.1	-173.2	0	0	0	0	109.4	R113 S155 N158 L160 L248 D251 G252	R113-C153 PolarHBondContact NE-O 2.73Å; C153-S155 VanDerWaalsContact SG-CB 3.59Å; C153-S155 PolarHBondContact SG-N 2.93Å; C153-N158 VanDerWaalsContact CB-O 3.3Å; C153-N158 WeakPolarHBondContact CB-O 3.15Å; C153-N158 PolarHBondContact SG-O 3.29Å; C153-N158 VanDerWaalsContact SG-O 3.35Å; C153-L160 HydrophobicContact CB-CB 4.04Å; C153-L160 WeakPolarHBondContact CB-O 3.29Å; C153-L160 PolarHBondContact N-O 3.03Å; C153-L248 HydrophobicContact CB-CD1 3.83Å; C153-D251 VanDerWaalsContact SG-C 3.58Å; C153-G252 VanDerWaalsContact SG-CA 3.58Å
154	Q	94.8	Very high	95.8	Very high	32 Å²	32	26.5 Å²	26.5	15%	0.15	16%	0.16	C	C	.	.			trans	-93.7	-4.6	180	-57.7	-62.2	-33	0	0	113	Q22 F66 L112 V152 V156	Q22-Q154 HydrophobicContact CB-CG 3.85Å; Q22-Q154 HydrophobicContact CG-CG 3.66Å; F66-Q154 HydrophobicContact CE2-CB 3.9Å; F66-Q154 HydrophobicContact CE2-CG 4.02Å; F66-Q154 HydrophobicContact CZ-CB 3.52Å; F66-Q154 HydrophobicContact CZ-CG 3.8Å; L112-Q154 PolarHBondContact O-NE2 2.81Å; V152-Q154 PolarHBondContact O-N 3.07Å; V152-Q154 PolarHBondContact O-NE2 3.19Å; Q154-V156 PolarHBondContact O-N 3.11Å
155	S	93.1	Very high	95.8	Very high	32 Å²	32	22.8 Å²	22.8	22%	0.224	13%	0.134	C	C	.	.			trans	-61.3	136.6	174.2	-178.2	0	0	0	0	110.1	R113 C153 D157 N158	R113-S155 PolarHBondContact NH2-O 2.82Å; C153-S155 VanDerWaalsContact SG-CB 3.59Å; C153-S155 PolarHBondContact SG-N 2.93Å; S155-D157 VanDerWaalsContact C-N 3.34Å; S155-N158 CarbonylContact O-C 3.36Å; S155-N158 PolarHBondContact O-N 3.12Å
156	V	88.1	Confident	95.8	Very high	63 Å²	63	30.4 Å²	30.4	38%	0.382	16%	0.163	S	C	.	.	S	Bend	trans	-64.5	-43	-179	176	0	0	0	0	110.4	R113 Q154 N158 S225 T226	R113-V156 PolarHBondContact NH2-O 3.25Å; Q154-V156 PolarHBondContact O-N 3.11Å; V156-N158 VanDerWaalsContact C-N 3.32Å; V156-N158 PolarHBondContact O-N 3.01Å; V156-S225 VanDerWaalsContact CG1-C 3.43Å; V156-S225 WeakPolarHBondContact CG1-O 3.41Å; V156-T226 WeakPolarHBondContact O-CA 3.49Å; V156-T226 WeakPolarHBondContact O-CB 3.45Å; V156-T226 PolarHBondContact O-OG1 2.88Å
157	D	88.5	Confident	95.9	Very high	117 Å²	117	33 Å²	33	63%	0.626	16%	0.163	S	C	*	.	S	Bend	trans	-84.3	-7.3	-176.3	-56.9	-46.1	0	0	0	113.7	S155	S155-D157 VanDerWaalsContact C-N 3.34Å
158	N	92.7	Very high	96.1	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.159	C	C	.	.			trans	-130.8	79.3	-178.3	-171.8	8.5	0	0	0	110.9	C153 S155 V156 L160 H175 D251 G252	C153-N158 VanDerWaalsContact CB-O 3.3Å; C153-N158 WeakPolarHBondContact CB-O 3.15Å; C153-N158 PolarHBondContact SG-O 3.29Å; C153-N158 VanDerWaalsContact SG-O 3.35Å; S155-N158 CarbonylContact O-C 3.36Å; S155-N158 PolarHBondContact O-N 3.12Å; V156-N158 VanDerWaalsContact C-N 3.32Å; V156-N158 PolarHBondContact O-N 3.01Å; N158-L160 PolarHBondContact O-N 3.37Å; N158-L160 VanDerWaalsContact OD1-CB 3.29Å; N158-L160 WeakPolarHBondContact OD1-CB 3.48Å; N158-H175 PolarHBondContact OD1-CD2 3.45Å; N158-H175 PolarHBondContact OD1-NE2 2.97Å; N158-H175 VanDerWaalsContact OD1-NE2 3.15Å; N158-D251 PolarHBondContact ND2-O 3.13Å; N158-G252 WeakPolarHBondContact ND2-CA 3.29Å; N158-G252 PolarHBondContact ND2-O 3.4Å
159	P	93.9	Very high	96.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.013	16%	0.159	C	C	.	.			trans	-76	48.7	179.8	35.7	-40.1	0	0	0	112.3	I176 T226 A228	P159-I176 WeakPolarHBondContact CB-O 3.45Å; P159-I176 PolarHBondContact O-N 2.8Å; P159-T226 HydrophobicContact CB-CG2 4.44Å; P159-A228 HydrophobicContact CG-CB 3.77Å
160	L	96.7	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.9	-176.1	176.4	64	0	0	0	111.2	C153 N158 V162 L173 L248 T270	C153-L160 HydrophobicContact CB-CB 4.04Å; C153-L160 WeakPolarHBondContact CB-O 3.29Å; C153-L160 PolarHBondContact N-O 3.03Å; N158-L160 PolarHBondContact O-N 3.37Å; N158-L160 VanDerWaalsContact OD1-CB 3.29Å; N158-L160 WeakPolarHBondContact OD1-CB 3.48Å; L160-V162 HydrophobicContact CD1-CG1 4.03Å; L160-V162 HydrophobicContact CD2-CG1 4.03Å; L160-V162 HydrophobicContact CG-CG1 3.86Å; L160-L173 HydrophobicContact CD1-CB 3.94Å; L160-L173 HydrophobicContact CD1-CG 4.48Å; L160-L248 HydrophobicContact CD2-CD1 3.96Å; L160-L248 HydrophobicContact CD2-CD2 4.04Å; L160-L248 HydrophobicContact CG-CD1 4.14Å; L160-T270 HydrophobicContact CD2-CG2 3.82Å
161	V	97.7	Very high	96.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.7	170	-173.8	0	0	0	0	108.6	I118 V152 F163 V174 I176	I118-V161 HydrophobicContact CG1-CG2 4.45Å; I118-V161 HydrophobicContact CG2-CG1 4.48Å; V152-V161 HydrophobicContact CG1-CG2 4.31Å; V152-V161 HydrophobicContact CG2-CG1 4.17Å; V152-V161 HydrophobicContact CG2-CG2 4.3Å; V161-F163 HydrophobicContact CG1-CD1 4.07Å; V161-F163 HydrophobicContact CG1-CE1 4.43Å; V161-V174 PolarHBondContact N-O 3.19Å; V161-V174 PolarHBondContact O-N 3.21Å; V161-I176 HydrophobicContact CB-CD1 4.33Å; V161-I176 HydrophobicContact CG2-CD1 3.89Å; V161-I176 HydrophobicContact CG2-CG1 4.38Å
162	V	98.6	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.4	178.7	-58.5	0	0	0	0	111.8	C150 Y151 L160 V171 S172 L173 I246 L248 L255	C150-V162 CarbonylContact C-O 3.55Å; C150-V162 VanDerWaalsContact CA-O 3.32Å; C150-V162 WeakPolarHBondContact CA-O 3.5Å; Y151-V162 PolarHBondContact N-O 3.06Å; Y151-V162 PolarHBondContact O-N 3.03Å; L160-V162 HydrophobicContact CD1-CG1 4.03Å; L160-V162 HydrophobicContact CD2-CG1 4.03Å; L160-V162 HydrophobicContact CG-CG1 3.86Å; V162-V171 HydrophobicContact CB-CG1 4.14Å; V162-S172 VanDerWaalsContact CA-O 3.29Å; V162-S172 WeakPolarHBondContact CA-O 2.63Å; V162-L173 HydrophobicContact CG1-CB 4.45Å; V162-L173 HydrophobicContact CG1-CG 3.89Å; V162-I246 HydrophobicContact CG2-CD1 4.37Å; V162-I246 WeakPolarHBondContact O-CD1 3.22Å; V162-L248 HydrophobicContact CG1-CD1 4.24Å; V162-L248 HydrophobicContact CG1-CD2 4.16Å; V162-L248 HydrophobicContact CG1-CG 4.48Å; V162-L248 HydrophobicContact CG2-CD1 4.08Å; V162-L248 HydrophobicContact CG2-CD2 4.28Å; V162-L248 HydrophobicContact CG2-CG 3.94Å; V162-L255 HydrophobicContact CG2-CD1 4.05Å
163	F	98.6	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	164.1	-176.6	53.1	-89.4	0	0	0	110.9	V125 F138 T142 C150 V161 G165 S172 V174	V125-F163 HydrophobicContact CB-CD1 4.46Å; V125-F163 HydrophobicContact CB-CD2 4.29Å; V125-F163 HydrophobicContact CB-CE2 4.42Å; V125-F163 HydrophobicContact CB-CG 4.32Å; V125-F163 HydrophobicContact CG1-CD1 4.28Å; V125-F163 HydrophobicContact CG1-CE1 4.44Å; V125-F163 HydrophobicContact CG2-CB 3.95Å; V125-F163 HydrophobicContact CG2-CD1 4.37Å; V125-F163 HydrophobicContact CG2-CD2 3.87Å; V125-F163 HydrophobicContact CG2-CE2 4.47Å; V125-F163 HydrophobicContact CG2-CG 3.82Å; F138-F163 HydrophobicContact CE1-CE1 4.37Å; F138-F163 HydrophobicContact CE1-CZ 4.07Å; F138-F163 HydrophobicContact CZ-CZ 4.39Å; T142-F163 HydrophobicContact CG2-CD2 3.68Å; T142-F163 HydrophobicContact CG2-CE2 4.07Å; C150-F163 HydrophobicContact CB-CB 4.43Å; V161-F163 HydrophobicContact CG1-CD1 4.07Å; V161-F163 HydrophobicContact CG1-CE1 4.43Å; F163-G165 PolarHBondContact O-N 2.95Å; F163-S172 PolarHBondContact N-O 2.98Å; F163-S172 PolarHBondContact O-N 2.76Å; F163-V174 HydrophobicContact CE1-CB 4.45Å; F163-V174 HydrophobicContact CE1-CG2 3.77Å; F163-V174 HydrophobicContact CZ-CG2 3.85Å
164	P	98.5	Very high	96.2	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	131.6	174.5	-25.6	35.2	0	0	0	112.7	T142 L149 L243	T142-P164 WeakPolarHBondContact CB-O 3.23Å; T142-P164 VanDerWaalsContact CG2-O 3.23Å; T142-P164 WeakPolarHBondContact CG2-O 3.4Å; L149-P164 HydrophobicContact CB-CG 3.82Å; L149-P164 HydrophobicContact CD1-CG 4.26Å; L149-P164 WeakPolarHBondContact O-CD 3.42Å; P164-L243 HydrophobicContact CB-CD1 4.15Å; P164-L243 HydrophobicContact CG-CD1 4.17Å
165	G	98.1	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.			trans	-73.1	-173.1	174.8	0	0	0	0	0	112.7	C143 F163 R167 V170 S172	C143-G165 WeakPolarHBondContact CB-O 3.37Å; C143-G165 PolarHBondContact N-O 3Å; C143-G165 PolarHBondContact SG-O 2.97Å; C143-G165 VanDerWaalsContact SG-O 3.36Å; F163-G165 PolarHBondContact O-N 2.95Å; G165-R167 VanDerWaalsContact C-N 3.25Å; G165-R167 PolarHBondContact O-N 3.16Å; G165-V170 PolarHBondContact N-O 2.93Å; G165-S172 WeakPolarHBondContact CA-OG 3.28Å
166	R	97.5	Very high	96	Very high	163 Å²	163	29 Å²	29	62%	0.615	14%	0.139	S	C	*	.	S	Bend	trans	-69.6	-19.2	-178.4	-65.9	-175.1	-177.9	-158.8	1.4	114.3	N141	N141-R166 WeakPolarHBondContact O-CG 3.49Å
167	R	97.6	Very high	95.8	Very high	128 Å²	128	26 Å²	26	48%	0.483	12%	0.121	S	C	.	.	S	Bend	trans	-111.9	144	177.8	-68.4	-173.5	-69.2	101.9	-2.3	110.1	G165 G169 V170	G165-R167 VanDerWaalsContact C-N 3.25Å; G165-R167 PolarHBondContact O-N 3.16Å; R167-G169 PolarHBondContact O-N 2.77Å; R167-V170 HydrophobicContact CB-CG2 3.9Å; R167-V170 WeakPolarHBondContact O-CB 3.44Å; R167-V170 PolarHBondContact O-N 3.2Å
168	P	97.4	Very high	95.2	Very high	69 Å²	69	23 Å²	23	45%	0.448	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	138.1	172.4	-28.9	36.3	0	0	0	112.5	V170 P242	P168-V170 PolarHBondContact O-N 2.96Å; P168-P242 HydrophobicContact CB-CB 4.47Å; P168-P242 HydrophobicContact CB-CG 4.06Å
169	G	98	Very high	93.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-4.3	177.2	0	0	0	0	0	115.8	R167 A238 H239 N241	R167-G169 PolarHBondContact O-N 2.77Å; G169-A238 WeakPolarHBondContact O-CA 3.3Å; G169-A238 WeakPolarHBondContact O-CB 3.42Å; G169-A238 PolarHBondContact O-N 3.06Å; G169-H239 CarbonylContact C-O 3.49Å; G169-H239 VanDerWaalsContact CA-O 3.29Å; G169-H239 WeakPolarHBondContact CA-O 3.37Å; G169-H239 PolarHBondContact O-N 3.03Å; G169-N241 WeakPolarHBondContact CA-O 3.27Å; G169-N241 PolarHBondContact N-O 2.89Å
170	V	98.6	Very high	91.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.3	172.8	-179.9	0	0	0	0	110.2	G165 R167 P168 Q235 I236 I237 L243	G165-V170 PolarHBondContact N-O 2.93Å; R167-V170 HydrophobicContact CB-CG2 3.9Å; R167-V170 WeakPolarHBondContact O-CB 3.44Å; R167-V170 PolarHBondContact O-N 3.2Å; P168-V170 PolarHBondContact O-N 2.96Å; V170-Q235 HydrophobicContact CG1-CB 3.96Å; V170-Q235 HydrophobicContact CG1-CG 4.21Å; V170-I236 CarbonylContact C-O 3.58Å; V170-I236 VanDerWaalsContact CA-O 3.29Å; V170-I236 WeakPolarHBondContact CA-O 3.43Å; V170-I237 HydrophobicContact CG2-CG1 4.31Å; V170-L243 WeakPolarHBondContact O-CD1 3.49Å
171	V	98.7	Very high	88	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.5	168.9	-172.6	0	0	0	0	109.1	V162 L173 Q235 I236 A238 L243 I246 L255 T257	V162-V171 HydrophobicContact CB-CG1 4.14Å; V171-L173 HydrophobicContact CB-CD1 4.4Å; V171-L173 HydrophobicContact CG1-CD1 4.15Å; V171-Q235 CarbonylContact O-C 3.59Å; V171-Q235 VanDerWaalsContact O-CA 3.3Å; V171-Q235 WeakPolarHBondContact O-CA 3.46Å; V171-I236 PolarHBondContact N-O 2.63Å; V171-I236 PolarHBondContact O-N 2.77Å; V171-A238 HydrophobicContact CG2-CB 3.96Å; V171-L243 HydrophobicContact CG2-CD1 3.6Å; V171-L243 HydrophobicContact CG2-CD2 4.26Å; V171-I246 HydrophobicContact CG2-CG2 4.43Å; V171-L255 HydrophobicContact CB-CD2 4.36Å; V171-L255 HydrophobicContact CG1-CD2 3.91Å; V171-T257 HydrophobicContact CG2-CG2 3.9Å
172	S	98.4	Very high	84.6	Confident	5 Å²	5	43 Å²	43	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.2	167.9	-68.3	0	0	0	0	110.2	V162 F163 G165 R234	V162-S172 VanDerWaalsContact CA-O 3.29Å; V162-S172 WeakPolarHBondContact CA-O 2.63Å; F163-S172 PolarHBondContact N-O 2.98Å; F163-S172 PolarHBondContact O-N 2.76Å; G165-S172 WeakPolarHBondContact CA-OG 3.28Å; S172-R234 WeakPolarHBondContact CA-O 3.34Å
173	L	98	Very high	81.3	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.7	177.4	-69.8	82.3	0	0	0	108.5	L160 V162 V171 R234 I236 L255 T270	L160-L173 HydrophobicContact CD1-CB 3.94Å; L160-L173 HydrophobicContact CD1-CG 4.48Å; V162-L173 HydrophobicContact CG1-CB 4.45Å; V162-L173 HydrophobicContact CG1-CG 3.89Å; V171-L173 HydrophobicContact CB-CD1 4.4Å; V171-L173 HydrophobicContact CG1-CD1 4.15Å; L173-R234 HydrophobicContact CB-CB 4.4Å; L173-R234 PolarHBondContact N-O 2.81Å; L173-R234 PolarHBondContact O-N 3.28Å; L173-I236 HydrophobicContact CD1-CB 4.36Å; L173-I236 HydrophobicContact CD1-CD1 3.75Å; L173-I236 HydrophobicContact CD1-CG1 3.78Å; L173-I236 HydrophobicContact CD2-CD1 4.13Å; L173-L255 HydrophobicContact CD1-CD2 4.35Å; L173-L255 HydrophobicContact CD2-CD2 4.49Å; L173-T270 HydrophobicContact CD2-CG2 4.16Å
174	V	96.6	Very high	77.9	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.6	-176.3	-172.5	0	0	0	0	109.7	F138 V161 F163 I176 P233	F138-V174 HydrophobicContact CD2-CG1 4.32Å; F138-V174 HydrophobicContact CE1-CG1 4.27Å; F138-V174 HydrophobicContact CE1-CG2 4.24Å; F138-V174 HydrophobicContact CE2-CG1 3.87Å; F138-V174 HydrophobicContact CE2-CG2 4.49Å; F138-V174 HydrophobicContact CZ-CB 4.37Å; F138-V174 HydrophobicContact CZ-CG1 3.85Å; F138-V174 HydrophobicContact CZ-CG2 3.78Å; V161-V174 PolarHBondContact N-O 3.19Å; V161-V174 PolarHBondContact O-N 3.21Å; F163-V174 HydrophobicContact CE1-CB 4.45Å; F163-V174 HydrophobicContact CE1-CG2 3.77Å; F163-V174 HydrophobicContact CZ-CG2 3.85Å; V174-I176 HydrophobicContact CB-CG1 4.4Å; V174-I176 HydrophobicContact CG1-CD1 4.16Å; V174-I176 HydrophobicContact CG1-CG1 3.7Å; V174-P233 HydrophobicContact CG2-CB 4.18Å; V174-P233 HydrophobicContact CG2-CG 4.47Å
175	H	94.2	Very high	74.6	Confident	32 Å²	32	61 Å²	61	15%	0.148	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.2	170.6	-69.6	77.5	0	0	0	109	N158 N230 M231 R234	N158-H175 PolarHBondContact OD1-CD2 3.45Å; N158-H175 PolarHBondContact OD1-NE2 2.97Å; N158-H175 VanDerWaalsContact OD1-NE2 3.15Å; H175-N230 PolarHBondContact O-OD1 3.39Å; H175-M231 HydrophobicContact CB-CB 3.98Å; H175-M231 HydrophobicContact CB-CG 4.1Å; H175-R234 PolarHBondContact CE1-NH2 2.98Å
176	I	89.8	Confident	71.3	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.041	38%	0.377	C	S	.	.			trans	-113.7	74.8	-176.4	-52.8	-180	0	0	0	108.5	V127 I137 F138 P159 V161 V174	V127-I176 HydrophobicContact CB-CD1 3.89Å; V127-I176 HydrophobicContact CG1-CD1 3.85Å; V127-I176 HydrophobicContact CG1-CG2 4.2Å; V127-I176 HydrophobicContact CG2-CD1 3.49Å; V127-I176 VanDerWaalsContact CG2-CD1 3.49Å; I137-I176 HydrophobicContact CD1-CG2 3.63Å; I137-I176 HydrophobicContact CG1-CG2 4.47Å; F138-I176 HydrophobicContact CB-CD1 4.3Å; F138-I176 HydrophobicContact CD1-CD1 4.1Å; F138-I176 HydrophobicContact CG-CD1 4.25Å; P159-I176 WeakPolarHBondContact CB-O 3.45Å; P159-I176 PolarHBondContact O-N 2.8Å; V161-I176 HydrophobicContact CB-CD1 4.33Å; V161-I176 HydrophobicContact CG2-CD1 3.89Å; V161-I176 HydrophobicContact CG2-CG1 4.38Å; V174-I176 HydrophobicContact CB-CG1 4.4Å; V174-I176 HydrophobicContact CG1-CD1 4.16Å; V174-I176 HydrophobicContact CG1-CG1 3.7Å
177	G	83.5	Confident	68.3	Low	1 Å²	1	67.3 Å²	67.3	1%	0.01	39%	0.385	C	S	.	.			trans	-79.5	-155.9	178	0	0	0	0	0	112.7	R116 A228 N230	R116-G177 PolarHBondContact NH2-O 3.39Å; G177-A228 CarbonylContact C-O 3.55Å; G177-A228 WeakPolarHBondContact CA-O 3.46Å; G177-N230 PolarHBondContact N-OD1 2.87Å
178	N	75.9	Confident	65.3	Low	54 Å²	54	68.5 Å²	68.5	29%	0.289	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-78.3	135.4	170.3	-83.6	8.9	0	0	0	110.8	G180 S224 A228	N178-G180 PolarHBondContact O-N 3.04Å; N178-S224 WeakPolarHBondContact ND2-CB 3.45Å; N178-S224 PolarHBondContact ND2-OG 3.22Å; N178-S224 WeakPolarHBondContact OD1-CB 3.07Å; N178-S224 PolarHBondContact OD1-OG 3.5Å; N178-A228 PolarHBondContact N-O 2.95Å
179	T	56.9	Low	62.5	Low	104 Å²	104	68.7 Å²	68.7	64%	0.638	41%	0.408	S	S	*	.			trans	-66.6	105.4	160.3	50.9	0	0	0	0	106.3	S181	T179-S181 PolarHBondContact O-N 2.84Å
180	G	44.2	Very low	59.6	Low	65 Å²	65	75.5 Å²	75.5	67%	0.67	44%	0.444	S	S	*	.			trans	-48.3	122.5	174.3	0	0	0	0	0	108.5	N178 N182	N178-G180 PolarHBondContact O-N 3.04Å; G180-N182 PolarHBondContact O-N 3.03Å
181	S	30.3	Very low	56.9	Low	106 Å²	106	81.9 Å²	81.9	74%	0.741	48%	0.478	S	S	*	.			trans	-52.5	113.8	162.9	-48.7	0	0	0	0	105.4	T179 V183	T179-S181 PolarHBondContact O-N 2.84Å; S181-V183 PolarHBondContact O-N 2.76Å
182	N	27.4	Very low	54.3	Low	157 Å²	157	88 Å²	88	84%	0.84	51%	0.511	S	S	*	.			trans	-61.7	84.5	155.7	-82.5	-24.8	0	0	0	105.4	G180 N184	G180-N182 PolarHBondContact O-N 3.03Å; N182-N184 PolarHBondContact O-N 2.83Å
183	V	30.1	Very low	51.5	Low	103 Å²	103	94.7 Å²	94.7	62%	0.624	55%	0.546	S	S	*	.			trans	-68.4	96.1	160.4	-179.7	0	0	0	0	103.7	S181 L185	S181-V183 PolarHBondContact O-N 2.76Å; V183-L185 HydrophobicContact CB-CD1 4.45Å; V183-L185 HydrophobicContact CG1-CD1 3.9Å; V183-L185 HydrophobicContact CG1-CG 4.06Å; V183-L185 PolarHBondContact O-N 2.87Å
184	N	25.4	Very low	48.9	Very low	144 Å²	144	100.7 Å²	100.7	77%	0.77	59%	0.588	S	S	*	*			trans	-59.5	91.1	155.8	-86.7	-12.3	0	0	0	106.5	N182 N186	N182-N184 PolarHBondContact O-N 2.83Å; N184-N186 PolarHBondContact O-N 3.21Å
185	L	30	Very low	46.1	Very low	133 Å²	133	104.1 Å²	104.1	70%	0.696	63%	0.625	S	S	*	*			trans	-67.3	80.9	156.4	-85.5	117.8	0	0	0	106.8	V183 N187	V183-L185 HydrophobicContact CB-CD1 4.45Å; V183-L185 HydrophobicContact CG1-CD1 3.9Å; V183-L185 HydrophobicContact CG1-CG 4.06Å; V183-L185 PolarHBondContact O-N 2.87Å; L185-N187 VanDerWaalsContact C-N 3.26Å; L185-N187 PolarHBondContact O-N 2.83Å; L185-N187 VanDerWaalsContact O-N 3.13Å
186	N	29.9	Very low	43.2	Very low	153 Å²	153	110.1 Å²	110.1	82%	0.818	66%	0.658	S	S	*	*			trans	-77.4	91.2	157.5	-109.8	4.3	0	0	0	107.1	N184 N188	N184-N186 PolarHBondContact O-N 3.21Å; N186-N188 PolarHBondContact O-N 2.96Å; N186-N188 VanDerWaalsContact O-N 3.14Å
187	N	32.9	Very low	40.9	Very low	144 Å²	144	117.8 Å²	117.8	77%	0.77	70%	0.697	S	S	*	*			trans	-58.7	106.8	158	-78.1	-24.8	0	0	0	108.4	L185	L185-N187 VanDerWaalsContact C-N 3.26Å; L185-N187 PolarHBondContact O-N 2.83Å; L185-N187 VanDerWaalsContact O-N 3.13Å
188	N	36	Very low	38.7	Very low	152 Å²	152	123.1 Å²	123.1	81%	0.813	73%	0.729	S	S	*	*			trans	-141	84.1	157.2	-143.8	14.7	0	0	0	105.3	N186	N186-N188 PolarHBondContact O-N 2.96Å; N186-N188 VanDerWaalsContact O-N 3.14Å
189	A	38.2	Very low	37.1	Very low	73 Å²	73	127 Å²	127	60%	0.603	75%	0.75	S	S	*	*				57.8	117.7	91.3	0	0	0	0	0	112.9
190	N	37	Very low	36.2	Very low	144 Å²	144	128.4 Å²	128.4	77%	0.77	75%	0.754	S	S	*	*			trans	101	95.3	152.5	-59.9	-14.7	0	0	0	118.8
191	N	41.8	Very low	35.9	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	76%	0.762	S	S	*	*				65.4	114.5	110.3	-83.7	0.7	0	0	0	119.8
192	N	43	Very low	36.5	Very low	129 Å²	129	132.9 Å²	132.9	69%	0.69	76%	0.763	S	S	*	*				120.9	121	122.5	-69.5	-12.9	0	0	0	117.5
193	N	41.4	Very low	36.9	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	76%	0.76	S	S	*	*			trans	76.5	103.2	138.7	-72.6	-8.9	0	0	0	121
194	S	42	Very low	37.1	Very low	126 Å²	126	133.4 Å²	133.4	88%	0.881	77%	0.767	S	S	*	*				31.8	124	118.4	-65.2	0	0	0	0	120.1
195	G	37.7	Very low	37.5	Very low	78 Å²	78	132 Å²	132	80%	0.804	76%	0.764	S	S	*	*			trans	176.1	101.7	156.8	0	0	0	0	0	113
196	N	34.8	Very low	37.7	Very low	159 Å²	159	131.2 Å²	131.2	85%	0.85	77%	0.765	S	S	*	*			trans	-48.7	155.3	168.2	-83.9	-28.7	0	0	0	113.4
197	I	40.7	Very low	37.9	Very low	169 Å²	169	130 Å²	130	87%	0.867	76%	0.758	S	S	*	*				177.4	129	121.1	-84.6	149.9	0	0	0	110.8
198	T	36.7	Very low	38.1	Very low	112 Å²	112	129.1 Å²	129.1	69%	0.687	75%	0.753	S	S	*	*			trans	-76.8	147.3	170.1	41.8	0	0	0	0	113.2
199	N	41.9	Very low	38	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	75%	0.75	S	S	*	*				154.3	137.3	123.7	-89.9	-12.1	0	0	0	116.9
200	N	39.2	Very low	37.8	Very low	133 Å²	133	133.3 Å²	133.3	71%	0.711	76%	0.764	S	S	*	*			trans	82.1	113.1	135.6	-64.2	-9.1	0	0	0	123.8
201	N	38.4	Very low	37.6	Very low	157 Å²	157	129.4 Å²	129.4	84%	0.84	76%	0.758	S	S	*	*				25.1	128	126.3	-75.3	-10.2	0	0	0	120.7
202	S	42.4	Very low	37	Very low	109 Å²	109	128.8 Å²	128.8	76%	0.762	76%	0.764	S	S	*	*				165.4	131.6	102.5	58.5	0	0	0	0	114.1
203	N	34.8	Very low	36.5	Very low	146 Å²	146	128.2 Å²	128.2	78%	0.781	77%	0.765	S	S	*	*			trans	18.9	131	145.7	-54.5	-18.8	0	0	0	121
204	T	35.6	Very low	36.1	Very low	124 Å²	124	128.4 Å²	128.4	76%	0.761	77%	0.766	S	S	*	*				161.2	131.5	97.8	47.1	0	0	0	0	114
205	T	33.4	Very low	35.5	Very low	116 Å²	116	128.7 Å²	128.7	71%	0.712	76%	0.763	S	S	*	*			trans	57.6	130	139.7	50.7	0	0	0	0	125.2
206	T	34.1	Very low	35.3	Very low	116 Å²	116	131 Å²	131	71%	0.712	76%	0.755	S	S	*	*				96.1	119.4	130	50.3	0	0	0	0	121.9
207	N	34.7	Very low	35	Very low	128 Å²	128	127.4 Å²	127.4	68%	0.684	74%	0.743	S	S	*	*				108.3	112.5	129.2	-74.4	-2.1	0	0	0	120.7
208	N	36.5	Very low	34.9	Very low	125 Å²	125	123.1 Å²	123.1	67%	0.668	72%	0.721	S	S	*	*				92.7	116	127.7	-63.2	-11.2	0	0	0	120.5
209	N	32.8	Very low	34.6	Very low	140 Å²	140	124.7 Å²	124.7	75%	0.749	73%	0.725	S	S	*	*			trans	70.7	114	130.6	-70.5	-12.2	0	0	0	119.3
210	I	35.4	Very low	34.3	Very low	173 Å²	173	124.6 Å²	124.6	89%	0.887	73%	0.73	S	S	*	*				154	122.8	118.1	-78	148.3	0	0	0	110.9
211	G	32.1	Very low	34.2	Very low	62 Å²	62	122.2 Å²	122.2	64%	0.639	72%	0.716	S	S	*	*			trans	72.3	85.3	146.1	0	0	0	0	0	118.4	T213	G211-T213 PolarHBondContact O-N 3.31Å
212	S	28.9	Very low	34.1	Very low	121 Å²	121	117.2 Å²	117.2	85%	0.846	69%	0.693	S	S	*	*			trans	-66.9	90.6	165	40.8	0	0	0	0	111.4
213	T	32.3	Very low	33.9	Very low	118 Å²	118	117.6 Å²	117.6	72%	0.724	69%	0.692	S	S	*	*			trans	-93	108.8	158.4	42.6	0	0	0	0	108	G211 T215	G211-T213 PolarHBondContact O-N 3.31Å; T213-T215 VanDerWaalsContact C-N 3.33Å; T213-T215 PolarHBondContact O-N 2.96Å; T213-T215 PolarHBondContact O-OG1 3.48Å
214	N	33.2	Very low	34.6	Very low	149 Å²	149	112.9 Å²	112.9	80%	0.797	67%	0.671	S	S	*	*			trans	-65.9	91.8	176.1	-83.4	-20.6	0	0	0	109.8	I216	N214-I216 VanDerWaalsContact C-N 3.35Å; N214-I216 PolarHBondContact O-N 2.86Å; N214-I216 VanDerWaalsContact O-N 3.11Å
215	T	30.4	Very low	35.4	Very low	132 Å²	132	109.1 Å²	109.1	81%	0.81	65%	0.65	S	S	*	*			trans	-79.1	86.3	170.3	-48.3	0	0	0	0	107.5	T213 S217	T213-T215 VanDerWaalsContact C-N 3.33Å; T213-T215 PolarHBondContact O-N 2.96Å; T213-T215 PolarHBondContact O-OG1 3.48Å; T215-S217 PolarHBondContact O-N 3.12Å
216	I	32.4	Very low	36.9	Very low	125 Å²	125	103.6 Å²	103.6	64%	0.641	62%	0.616	S	S	*	*			trans	-78.1	117.6	175.7	-65.3	172.8	0	0	0	108.6	N214 I218	N214-I216 VanDerWaalsContact C-N 3.35Å; N214-I216 PolarHBondContact O-N 2.86Å; N214-I216 VanDerWaalsContact O-N 3.11Å; I216-I218 PolarHBondContact O-N 2.88Å
217	S	30.2	Very low	38.4	Very low	85 Å²	85	105.3 Å²	105.3	59%	0.594	62%	0.621	S	S	*	*			trans	-54.2	111.5	-179	51.9	0	0	0	0	113.7	T215 N219	T215-S217 PolarHBondContact O-N 3.12Å; S217-N219 PolarHBondContact O-N 3.29Å
218	I	37.2	Very low	40.2	Very low	78 Å²	78	100.2 Å²	100.2	40%	0.4	60%	0.597	S	S	.	*			trans	-84.8	66.9	154.7	-58.5	170.6	0	0	0	106	P132 I216 I221	P132-I218 HydrophobicContact CB-CD1 4Å; P132-I218 HydrophobicContact CG-CB 3.85Å; P132-I218 HydrophobicContact CG-CD1 3.52Å; P132-I218 HydrophobicContact CG-CG1 4.22Å; P132-I218 HydrophobicContact CG-CG2 4.01Å; I216-I218 PolarHBondContact O-N 2.88Å; I218-I221 HydrophobicContact CG2-CD1 4.46Å; I218-I221 HydrophobicContact CG2-CG1 3.88Å; I218-I221 WeakPolarHBondContact O-CG1 3.33Å
219	N	31.7	Very low	42	Very low	146 Å²	146	99 Å²	99	78%	0.781	59%	0.594	S	S	*	*			trans	-99.9	20.1	179.3	-87.3	0.3	0	0	0	113.5	S217	S217-N219 PolarHBondContact O-N 3.29Å
220	T	34.9	Very low	44.3	Very low	134 Å²	134	96 Å²	96	82%	0.822	58%	0.578	S	S	*	*			trans	-116.7	49.5	159.9	-31.2	0	0	0	0	109.4	C222	T220-C222 PolarHBondContact O-N 2.97Å
221	I	37.8	Very low	46.5	Very low	82 Å²	82	92.6 Å²	92.6	42%	0.421	56%	0.559	S	S	.	*			trans	-66.9	114.4	162.1	-65.6	165.3	0	0	0	105.1	I218 P223	I218-I221 HydrophobicContact CG2-CD1 4.46Å; I218-I221 HydrophobicContact CG2-CG1 3.88Å; I218-I221 WeakPolarHBondContact O-CG1 3.33Å; I221-P223 WeakPolarHBondContact O-CD 3.05Å
222	C	35.4	Very low	49.1	Very low	53 Å²	53	94.4 Å²	94.4	36%	0.358	56%	0.56	S	S	.	*			trans	-47.8	116.3	177.5	-64.6	0	0	0	0	108.3	T220 S224	T220-C222 PolarHBondContact O-N 2.97Å; C222-S224 PolarHBondContact O-N 2.86Å
223	P	39.2	Very low	52.2	Low	116 Å²	116	92.7 Å²	92.7	75%	0.753	55%	0.546	S	S	*	.			trans	-53.9	123.1	169	23.5	-30.6	0	0	0	104.7	I221 S225	I221-P223 WeakPolarHBondContact O-CD 3.05Å; P223-S225 WeakPolarHBondContact O-CA 3.43Å; P223-S225 PolarHBondContact O-N 3.28Å
224	S	48.2	Very low	55.2	Low	47 Å²	47	90.3 Å²	90.3	33%	0.329	52%	0.523	S	S	.	.			trans	-31.2	104.5	-177.6	49.4	0	0	0	0	109.6	N178 C222 T226	N178-S224 WeakPolarHBondContact ND2-CB 3.45Å; N178-S224 PolarHBondContact ND2-OG 3.22Å; N178-S224 WeakPolarHBondContact OD1-CB 3.07Å; N178-S224 PolarHBondContact OD1-OG 3.5Å; C222-S224 PolarHBondContact O-N 2.86Å; S224-T226 PolarHBondContact O-N 3.36Å
225	S	53.7	Low	58.2	Low	45 Å²	45	88.3 Å²	88.3	32%	0.315	51%	0.509	S	S	.	.			trans	-66.1	-19.2	-165.9	53.2	0	0	0	0	110.8	V156 P223	V156-S225 VanDerWaalsContact CG1-C 3.43Å; V156-S225 WeakPolarHBondContact CG1-O 3.41Å; P223-S225 WeakPolarHBondContact O-CA 3.43Å; P223-S225 PolarHBondContact O-N 3.28Å
226	T	64.8	Low	61.5	Low	0 Å²	0	82.3 Å²	82.3	0%	0	47%	0.472	C	S	.	.			trans	-90.2	125.4	-175	-162	0	0	0	0	113.2	V156 P159 S224 A228	V156-T226 WeakPolarHBondContact O-CA 3.49Å; V156-T226 WeakPolarHBondContact O-CB 3.45Å; V156-T226 PolarHBondContact O-OG1 2.88Å; P159-T226 HydrophobicContact CB-CG2 4.44Å; S224-T226 PolarHBondContact O-N 3.36Å; T226-A228 WeakPolarHBondContact OG1-CB 3.29Å; T226-A228 PolarHBondContact OG1-N 3.25Å; T226-A228 VanDerWaalsContact OG1-N 3.17Å
227	N	64.4	Low	64.6	Low	152 Å²	152	82.1 Å²	82.1	81%	0.813	47%	0.471	S	S	*	.			trans	-81.9	0.2	162.4	-71	-31.6	0	0	0	112.1
228	A	73.1	Confident	67.9	Low	22 Å²	22	78 Å²	78	18%	0.182	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-71.9	145.8	-176.8	0	0	0	0	0	111.5	P159 G177 N178 T226	P159-A228 HydrophobicContact CG-CB 3.77Å; G177-A228 CarbonylContact C-O 3.55Å; G177-A228 WeakPolarHBondContact CA-O 3.46Å; N178-A228 PolarHBondContact N-O 2.95Å; T226-A228 WeakPolarHBondContact OG1-CB 3.29Å; T226-A228 PolarHBondContact OG1-N 3.25Å; T226-A228 VanDerWaalsContact OG1-N 3.17Å
229	T	73	Confident	70.8	Confident	99 Å²	99	74.8 Å²	74.8	61%	0.607	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-89.7	157.8	174	55.2	0	0	0	0	111
230	N	81.4	Confident	73.9	Confident	78 Å²	78	76.4 Å²	76.4	42%	0.417	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61.9	139.4	168.4	-66.5	-37.2	0	0	0	110.5	H175 G177	H175-N230 PolarHBondContact O-OD1 3.39Å; G177-N230 PolarHBondContact N-OD1 2.87Å
231	M	82.9	Confident	76.8	Confident	100 Å²	100	73.1 Å²	73.1	49%	0.493	41%	0.406	S	S	.	.			trans	-115	149.9	172.8	-64.8	-68.1	-72.6	0	0	109.5	H175	H175-M231 HydrophobicContact CB-CB 3.98Å; H175-M231 HydrophobicContact CB-CG 4.1Å
232	P	87	Confident	79.7	Confident	100 Å²	100	71.4 Å²	71.4	65%	0.649	40%	0.4	S	S	*	.			trans	-52.3	136.1	172.3	-25.8	34.3	0	0	0	111.2	R234	P232-R234 PolarHBondContact O-N 3.01Å
233	P	92.1	Very high	82.7	Confident	86 Å²	86	69.5 Å²	69.5	56%	0.558	39%	0.387	S	S	*	.			trans	-55.4	134.9	175.3	-27.7	35.7	0	0	0	111.8	V174	V174-P233 HydrophobicContact CG2-CB 4.18Å; V174-P233 HydrophobicContact CG2-CG 4.47Å
234	R	96	Very high	85.4	Confident	67 Å²	67	64.9 Å²	64.9	25%	0.253	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	159.2	176.9	-64.5	176.1	-61.8	161.4	10.7	110.4	S172 L173 H175 P232 T270 K271	S172-R234 WeakPolarHBondContact CA-O 3.34Å; L173-R234 HydrophobicContact CB-CB 4.4Å; L173-R234 PolarHBondContact N-O 2.81Å; L173-R234 PolarHBondContact O-N 3.28Å; H175-R234 PolarHBondContact CE1-NH2 2.98Å; P232-R234 PolarHBondContact O-N 3.01Å; R234-T270 PolarHBondContact NH1-O 3.33Å; R234-T270 PolarHBondContact NH2-O 2.97Å; R234-K271 PolarHBondContact NH1-O 3.47Å
235	Q	97.1	Very high	87.8	Confident	107 Å²	107	63.3 Å²	63.3	50%	0.5	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.3	179.7	-69	-174.8	-10	0	0	111.3	V170 V171	V170-Q235 HydrophobicContact CG1-CB 3.96Å; V170-Q235 HydrophobicContact CG1-CG 4.21Å; V171-Q235 CarbonylContact O-C 3.59Å; V171-Q235 VanDerWaalsContact O-CA 3.3Å; V171-Q235 WeakPolarHBondContact O-CA 3.46Å
236	I	98.4	Very high	89.9	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.3	171.7	-64.9	176	0	0	0	107.8	V170 V171 L173 A238 L255 F268 C273	V170-I236 CarbonylContact C-O 3.58Å; V170-I236 VanDerWaalsContact CA-O 3.29Å; V170-I236 WeakPolarHBondContact CA-O 3.43Å; V171-I236 PolarHBondContact N-O 2.63Å; V171-I236 PolarHBondContact O-N 2.77Å; L173-I236 HydrophobicContact CD1-CB 4.36Å; L173-I236 HydrophobicContact CD1-CD1 3.75Å; L173-I236 HydrophobicContact CD1-CG1 3.78Å; L173-I236 HydrophobicContact CD2-CD1 4.13Å; I236-A238 VanDerWaalsContact C-N 3.28Å; I236-A238 HydrophobicContact CG2-CB 4.07Å; I236-A238 PolarHBondContact O-N 3.06Å; I236-L255 HydrophobicContact CD1-CD2 4.09Å; I236-F268 HydrophobicContact CD1-CB 3.83Å; I236-F268 HydrophobicContact CD1-CD1 4.21Å; I236-F268 HydrophobicContact CD1-CG 4.02Å; I236-F268 HydrophobicContact CG2-CD1 3.57Å; I236-F268 HydrophobicContact CG2-CD2 4.21Å; I236-F268 HydrophobicContact CG2-CE1 3.42Å; I236-F268 VanDerWaalsContact CG2-CE1 3.42Å; I236-F268 HydrophobicContact CG2-CE2 4.08Å; I236-F268 HydrophobicContact CG2-CG 3.98Å; I236-F268 HydrophobicContact CG2-CZ 3.7Å; I236-C273 HydrophobicContact CD1-CB 4Å; I236-C273 HydrophobicContact CG1-CB 3.75Å
237	I	98.1	Very high	91.5	Very high	120 Å²	120	61.9 Å²	61.9	62%	0.615	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	84.5	168.5	-54.4	177	0	0	0	107	V170	V170-I237 HydrophobicContact CG2-CG1 4.31Å
238	A	98.4	Very high	93.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.			trans	-80.4	-38.6	-169.2	0	0	0	0	0	112.3	G169 V171 I236 T257 R266 F268	G169-A238 WeakPolarHBondContact O-CA 3.3Å; G169-A238 WeakPolarHBondContact O-CB 3.42Å; G169-A238 PolarHBondContact O-N 3.06Å; V171-A238 HydrophobicContact CG2-CB 3.96Å; I236-A238 VanDerWaalsContact C-N 3.28Å; I236-A238 HydrophobicContact CG2-CB 4.07Å; I236-A238 PolarHBondContact O-N 3.06Å; A238-T257 HydrophobicContact CB-CG2 4.33Å; A238-R266 WeakPolarHBondContact O-CD 3.23Å; A238-R266 PolarHBondContact O-NH1 2.75Å; A238-F268 HydrophobicContact CB-CE2 3.8Å; A238-F268 HydrophobicContact CB-CZ 3.95Å
239	H	98.3	Very high	94.3	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.046	29%	0.29	C	S	.	.			trans	-143.6	161.8	-177.5	-64	-94.1	0	0	0	111	G169 T257 S259	G169-H239 CarbonylContact C-O 3.49Å; G169-H239 VanDerWaalsContact CA-O 3.29Å; G169-H239 WeakPolarHBondContact CA-O 3.37Å; G169-H239 PolarHBondContact O-N 3.03Å; H239-T257 PolarHBondContact NE2-O 3.01Å; H239-T257 PolarHBondContact NE2-OG1 2.98Å; H239-S259 PolarHBondContact ND1-OG 3.34Å
240	E	96.8	Very high	95.4	Very high	179 Å²	179	57.8 Å²	57.8	84%	0.836	29%	0.294	S	S	*	.	S	Bend	trans	-80.4	-26.6	170.1	-66	174.9	173.2	0	0	112.2
241	N	97.1	Very high	96	Very high	65 Å²	65	57 Å²	57	35%	0.348	29%	0.29	S	S	.	.	S	Bend	trans	-100.9	157.9	-177.3	-69.5	-88.2	0	0	0	110.6	G169	G169-N241 WeakPolarHBondContact CA-O 3.27Å; G169-N241 PolarHBondContact N-O 2.89Å
242	P	97.7	Very high	96.7	Very high	46 Å²	46	52.2 Å²	52.2	30%	0.299	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-51.1	145.6	175.1	-22.4	29.8	0	0	0	112.5	P168 S259 Q260	P168-P242 HydrophobicContact CB-CB 4.47Å; P168-P242 HydrophobicContact CB-CG 4.06Å; P242-S259 CarbonylContact O-C 3.45Å; P242-S259 WeakPolarHBondContact O-CA 3.35Å; P242-S259 VanDerWaalsContact O-CB 3.31Å; P242-S259 WeakPolarHBondContact O-CB 3.2Å; P242-Q260 HydrophobicContact CB-CG 4.29Å; P242-Q260 PolarHBondContact O-N 2.81Å
243	L	98.3	Very high	97.2	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142	178.7	-63.8	169.1	0	0	0	110.3	L149 P164 V170 V171 I246	L149-L243 HydrophobicContact CD1-CB 3.88Å; L149-L243 WeakPolarHBondContact CD1-O 3.44Å; P164-L243 HydrophobicContact CB-CD1 4.15Å; P164-L243 HydrophobicContact CG-CD1 4.17Å; V170-L243 WeakPolarHBondContact O-CD1 3.49Å; V171-L243 HydrophobicContact CG2-CD1 3.6Å; V171-L243 HydrophobicContact CG2-CD2 4.26Å; L243-I246 HydrophobicContact CD1-CG2 4.06Å
244	A	97.1	Very high	97.5	Very high	19 Å²	19	50.7 Å²	50.7	16%	0.157	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-27.8	172.3	0	0	0	0	0	112.1	L149 A258 Q260	L149-A244 WeakPolarHBondContact CD2-O 3.17Å; A244-A258 PolarHBondContact N-O 2.71Å; A244-Q260 HydrophobicContact CB-CG 4.11Å
245	S	97.9	Very high	97.6	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.8	178.4	-166.7	0	0	0	0	111.2	T257 A258	S245-T257 WeakPolarHBondContact O-CA 3.2Å; S245-A258 PolarHBondContact N-O 2.81Å; S245-A258 VanDerWaalsContact N-O 3.13Å; S245-A258 PolarHBondContact O-N 2.82Å
246	I	98.2	Very high	97.7	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.067	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.7	173.6	61.8	179.7	0	0	0	108.4	L149 V162 V171 L243 A256 T257	L149-I246 HydrophobicContact CB-CD1 4.04Å; L149-I246 HydrophobicContact CB-CG1 4.26Å; V162-I246 HydrophobicContact CG2-CD1 4.37Å; V162-I246 WeakPolarHBondContact O-CD1 3.22Å; V171-I246 HydrophobicContact CG2-CG2 4.43Å; L243-I246 HydrophobicContact CD1-CG2 4.06Å; I246-A256 WeakPolarHBondContact CA-O 3.33Å; I246-T257 HydrophobicContact CG2-CG2 4.3Å
247	T	98.5	Very high	97.7	Very high	3 Å²	3	42 Å²	42	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.1	175.9	-163.1	0	0	0	0	110.2	Y151 A256 L291 F293	Y151-T247 WeakPolarHBondContact CE2-OG1 3.47Å; T247-A256 HydrophobicContact CG2-CB 3.8Å; T247-A256 PolarHBondContact N-O 3.33Å; T247-A256 PolarHBondContact O-N 2.9Å; T247-L291 HydrophobicContact CG2-CB 3.4Å; T247-L291 HydrophobicContact CG2-CD1 4.33Å; T247-L291 WeakPolarHBondContact CG2-O 2.95Å; T247-L291 PolarHBondContact OG1-O 2.91Å; T247-F293 HydrophobicContact CG2-CD2 4.08Å; T247-F293 HydrophobicContact CG2-CE2 3.9Å
248	L	98.5	Very high	97.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	154.5	169.2	-66.9	173.6	0	0	0	109.3	Y151 C153 L160 V162 L254 L255 T270	Y151-L248 HydrophobicContact CD1-CB 3.69Å; Y151-L248 HydrophobicContact CD1-CD1 3.93Å; Y151-L248 HydrophobicContact CD1-CG 3.87Å; Y151-L248 HydrophobicContact CE1-CB 3.77Å; Y151-L248 HydrophobicContact CE1-CG 4.46Å; Y151-L248 HydrophobicContact CG-CB 4.48Å; Y151-L248 HydrophobicContact CG-CG 4.5Å; C153-L248 HydrophobicContact CB-CD1 3.83Å; L160-L248 HydrophobicContact CD2-CD1 3.96Å; L160-L248 HydrophobicContact CD2-CD2 4.04Å; L160-L248 HydrophobicContact CG-CD1 4.14Å; V162-L248 HydrophobicContact CG1-CD1 4.24Å; V162-L248 HydrophobicContact CG1-CD2 4.16Å; V162-L248 HydrophobicContact CG1-CG 4.48Å; V162-L248 HydrophobicContact CG2-CD1 4.08Å; V162-L248 HydrophobicContact CG2-CD2 4.28Å; V162-L248 HydrophobicContact CG2-CG 3.94Å; L248-L254 VanDerWaalsContact CA-O 3.31Å; L248-L254 WeakPolarHBondContact CA-O 3.41Å; L248-L254 WeakPolarHBondContact CD2-O 3.49Å; L248-L255 HydrophobicContact CD2-CB 3.87Å; L248-L255 HydrophobicContact CD2-CD1 3.91Å; L248-L255 HydrophobicContact CD2-CG 4.46Å; L248-T270 HydrophobicContact CD2-CG2 3.87Å
249	N	97.8	Very high	97.7	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	18%	0.175	C	C	.	.			trans	-73.9	174.1	160.8	74.9	-32.9	0	0	0	110.6	D251 G252 Y253 L254 F293 S297	N249-D251 VanDerWaalsContact C-N 3.34Å; N249-D251 PolarHBondContact ND2-OD1 3.31Å; N249-D251 PolarHBondContact O-N 2.89Å; N249-D251 PolarHBondContact OD1-OD1 2.95Å; N249-G252 PolarHBondContact O-N 2.89Å; N249-G252 PolarHBondContact OD1-N 2.87Å; N249-Y253 PolarHBondContact OD1-N 2.79Å; N249-L254 HydrophobicContact CB-CB 4.08Å; N249-L254 PolarHBondContact N-O 2.69Å; N249-L254 PolarHBondContact OD1-N 2.91Å; N249-L254 PolarHBondContact OD1-O 3.48Å; N249-F293 HydrophobicContact CB-CB 4.07Å; N249-F293 HydrophobicContact CB-CD1 4.15Å; N249-F293 HydrophobicContact CB-CD2 3.67Å; N249-F293 HydrophobicContact CB-CE1 4.5Å; N249-F293 HydrophobicContact CB-CE2 4.06Å; N249-F293 HydrophobicContact CB-CG 3.71Å; N249-F293 HydrophobicContact CB-CZ 4.45Å; N249-S297 WeakPolarHBondContact CB-OG 3.17Å; N249-S297 PolarHBondContact ND2-OG 3.32Å
250	R	95.4	Very high	97.6	Very high	181 Å²	181	40.8 Å²	40.8	68%	0.683	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-42.6	-169.8	-175.4	179.1	180	-166.7	-0.4	114
251	D	95.4	Very high	97.6	Very high	61 Å²	61	37.2 Å²	37.2	33%	0.326	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.5	-178.7	60.3	21	0	0	0	113.5	C153 N158 N249 Y253	C153-D251 VanDerWaalsContact SG-C 3.58Å; N158-D251 PolarHBondContact ND2-O 3.13Å; N249-D251 VanDerWaalsContact C-N 3.34Å; N249-D251 PolarHBondContact ND2-OD1 3.31Å; N249-D251 PolarHBondContact O-N 2.89Å; N249-D251 PolarHBondContact OD1-OD1 2.95Å; D251-Y253 HydrophobicContact CB-CD2 3.8Å; D251-Y253 HydrophobicContact CB-CE2 3.97Å; D251-Y253 WeakPolarHBondContact OD1-CD2 3.08Å; D251-Y253 PolarHBondContact OD1-N 3.18Å; D251-Y253 WeakPolarHBondContact OD2-CD2 3.43Å
252	G	97	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	77.8	15	179.4	0	0	0	0	0	115.2	C153 N158 N249 T270	C153-G252 VanDerWaalsContact SG-CA 3.58Å; N158-G252 WeakPolarHBondContact ND2-CA 3.29Å; N158-G252 PolarHBondContact ND2-O 3.4Å; N249-G252 PolarHBondContact O-N 2.89Å; N249-G252 PolarHBondContact OD1-N 2.87Å; G252-T270 WeakPolarHBondContact O-CB 3.18Å; G252-T270 VanDerWaalsContact O-CG2 3.27Å; G252-T270 WeakPolarHBondContact O-CG2 3.31Å; G252-T270 PolarHBondContact O-OG1 2.79Å
253	Y	97.2	Very high	97.4	Very high	119 Å²	119	32.6 Å²	32.6	47%	0.467	15%	0.149	S	C	.	.			trans	-87.4	-18.7	178.1	-64.8	-55.5	0	0	0	114.5	N249 D251 T270	N249-Y253 PolarHBondContact OD1-N 2.79Å; D251-Y253 HydrophobicContact CB-CD2 3.8Å; D251-Y253 HydrophobicContact CB-CE2 3.97Å; D251-Y253 WeakPolarHBondContact OD1-CD2 3.08Å; D251-Y253 PolarHBondContact OD1-N 3.18Å; D251-Y253 WeakPolarHBondContact OD2-CD2 3.43Å; Y253-T270 VanDerWaalsContact CA-OG1 3.28Å; Y253-T270 WeakPolarHBondContact CA-OG1 3.22Å; Y253-T270 PolarHBondContact O-N 2.84Å; Y253-T270 PolarHBondContact O-OG1 3.13Å
254	L	98.2	Very high	97.3	Very high	34 Å²	34	33.2 Å²	33.2	18%	0.178	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.6	174.5	-56.4	-179.8	0	0	0	110.8	L248 N249 I267 F268 L276 F293	L248-L254 VanDerWaalsContact CA-O 3.31Å; L248-L254 WeakPolarHBondContact CA-O 3.41Å; L248-L254 WeakPolarHBondContact CD2-O 3.49Å; N249-L254 HydrophobicContact CB-CB 4.08Å; N249-L254 PolarHBondContact N-O 2.69Å; N249-L254 PolarHBondContact OD1-N 2.91Å; N249-L254 PolarHBondContact OD1-O 3.48Å; L254-I267 HydrophobicContact CB-CG2 4.23Å; L254-I267 HydrophobicContact CD2-CG2 4.42Å; L254-F268 WeakPolarHBondContact CA-O 3.43Å; L254-L276 HydrophobicContact CD2-CD1 3.44Å; L254-L276 VanDerWaalsContact CD2-CD1 3.44Å; L254-F293 HydrophobicContact CB-CE1 4.11Å; L254-F293 HydrophobicContact CB-CE2 4.46Å; L254-F293 HydrophobicContact CB-CZ 3.8Å; L254-F293 HydrophobicContact CD1-CE1 3.95Å; L254-F293 HydrophobicContact CD1-CZ 4.49Å
255	L	98.7	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.5	175.1	169.8	64.2	0	0	0	109.7	V162 V171 L173 I236 L248 T257 I267 F268 T270	V162-L255 HydrophobicContact CG2-CD1 4.05Å; V171-L255 HydrophobicContact CB-CD2 4.36Å; V171-L255 HydrophobicContact CG1-CD2 3.91Å; L173-L255 HydrophobicContact CD1-CD2 4.35Å; L173-L255 HydrophobicContact CD2-CD2 4.49Å; I236-L255 HydrophobicContact CD1-CD2 4.09Å; L248-L255 HydrophobicContact CD2-CB 3.87Å; L248-L255 HydrophobicContact CD2-CD1 3.91Å; L248-L255 HydrophobicContact CD2-CG 4.46Å; L255-T257 HydrophobicContact CD1-CG2 4.1Å; L255-T257 HydrophobicContact CD2-CG2 4.23Å; L255-T257 HydrophobicContact CG-CG2 3.85Å; L255-I267 CarbonylContact O-C 3.55Å; L255-I267 VanDerWaalsContact O-CA 3.27Å; L255-I267 WeakPolarHBondContact O-CA 3.42Å; L255-F268 HydrophobicContact CB-CB 4.49Å; L255-F268 PolarHBondContact N-O 3.4Å; L255-F268 PolarHBondContact O-N 2.95Å; L255-T270 HydrophobicContact CB-CG2 3.75Å
256	A	98.7	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	138.6	171.4	0	0	0	0	0	111	I246 T247 R266 I267 L291 F293 L300	I246-A256 WeakPolarHBondContact CA-O 3.33Å; T247-A256 HydrophobicContact CG2-CB 3.8Å; T247-A256 PolarHBondContact N-O 3.33Å; T247-A256 PolarHBondContact O-N 2.9Å; A256-R266 CarbonylContact C-O 3.59Å; A256-R266 WeakPolarHBondContact CA-O 3.29Å; A256-I267 HydrophobicContact CB-CG1 4.22Å; A256-L291 HydrophobicContact CB-CD1 4.26Å; A256-F293 HydrophobicContact CB-CE2 3.75Å; A256-F293 HydrophobicContact CB-CZ 3.67Å; A256-L300 HydrophobicContact CB-CD1 4.11Å; A256-L300 HydrophobicContact CB-CD2 4.1Å
257	T	98.7	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.4	-175.2	64.8	0	0	0	0	111.5	V171 A238 H239 S245 I246 L255 I265 R266 F268	V171-T257 HydrophobicContact CG2-CG2 3.9Å; A238-T257 HydrophobicContact CB-CG2 4.33Å; H239-T257 PolarHBondContact NE2-O 3.01Å; H239-T257 PolarHBondContact NE2-OG1 2.98Å; S245-T257 WeakPolarHBondContact O-CA 3.2Å; I246-T257 HydrophobicContact CG2-CG2 4.3Å; L255-T257 HydrophobicContact CD1-CG2 4.1Å; L255-T257 HydrophobicContact CD2-CG2 4.23Å; L255-T257 HydrophobicContact CG-CG2 3.85Å; T257-I265 WeakPolarHBondContact O-CA 3.23Å; T257-R266 PolarHBondContact N-O 3.21Å; T257-R266 PolarHBondContact O-N 3.35Å; T257-R266 PolarHBondContact OG1-O 2.79Å; T257-F268 HydrophobicContact CG2-CD2 4.46Å; T257-F268 HydrophobicContact CG2-CE2 4.46Å
258	A	98.5	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.6	168.6	0	0	0	0	0	110.4	A244 S245 I265 I288 L291	A244-A258 PolarHBondContact N-O 2.71Å; S245-A258 PolarHBondContact N-O 2.81Å; S245-A258 VanDerWaalsContact N-O 3.13Å; S245-A258 PolarHBondContact O-N 2.82Å; A258-I265 HydrophobicContact CB-CG1 4.35Å; A258-I288 HydrophobicContact CB-CB 4.01Å; A258-I288 HydrophobicContact CB-CG1 3.61Å; A258-I288 HydrophobicContact CB-CG2 4.29Å; A258-L291 HydrophobicContact CB-CD1 4.39Å
259	S	97.9	Very high	97.3	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	171.7	171.1	58.1	0	0	0	0	112.2	H239 P242 K261 G262	H239-S259 PolarHBondContact ND1-OG 3.34Å; P242-S259 CarbonylContact O-C 3.45Å; P242-S259 WeakPolarHBondContact O-CA 3.35Å; P242-S259 VanDerWaalsContact O-CB 3.31Å; P242-S259 WeakPolarHBondContact O-CB 3.2Å; S259-K261 PolarHBondContact O-N 2.8Å; S259-K261 VanDerWaalsContact O-N 3.17Å; S259-G262 VanDerWaalsContact O-CA 3.29Å; S259-G262 WeakPolarHBondContact O-CA 3.35Å; S259-G262 PolarHBondContact O-N 3.37Å
260	Q	96.4	Very high	97.3	Very high	97 Å²	97	34.6 Å²	34.6	45%	0.453	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	172.1	-70.5	178.9	-13.7	0	0	113.5	P242 A244 G262 Q285	P242-Q260 HydrophobicContact CB-CG 4.29Å; P242-Q260 PolarHBondContact O-N 2.81Å; A244-Q260 HydrophobicContact CB-CG 4.11Å; Q260-G262 VanDerWaalsContact C-N 3.32Å; Q260-Q285 PolarHBondContact O-NE2 3.28Å
261	K	96.3	Very high	97.3	Very high	104 Å²	104	34 Å²	34	45%	0.452	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-32	169.8	-169.2	175.5	-178.9	173.7	0	111.7	S259 T263 Q285	S259-K261 PolarHBondContact O-N 2.8Å; S259-K261 VanDerWaalsContact O-N 3.17Å; K261-T263 HydrophobicContact CG-CG2 4.24Å; K261-T263 PolarHBondContact O-N 3.39Å; K261-Q285 WeakPolarHBondContact O-CA 3.48Å; K261-Q285 WeakPolarHBondContact O-CG 3.38Å
262	G	96	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.164	C	C	.	.			trans	54.3	20.4	170.6	0	0	0	0	0	116.7	S259 Q260 R281 A286	S259-G262 VanDerWaalsContact O-CA 3.29Å; S259-G262 WeakPolarHBondContact O-CA 3.35Å; S259-G262 PolarHBondContact O-N 3.37Å; Q260-G262 VanDerWaalsContact C-N 3.32Å; G262-R281 PolarHBondContact O-NE 3.41Å; G262-R281 PolarHBondContact O-NH2 3.5Å; G262-A286 WeakPolarHBondContact CA-O 3.44Å
263	T	95.2	Very high	97.3	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.086	18%	0.175	C	C	.	.	S	Bend	trans	-84.9	-30.3	177.7	44.7	0	0	0	0	112.1	K261 R281	K261-T263 HydrophobicContact CG-CG2 4.24Å; K261-T263 PolarHBondContact O-N 3.39Å; T263-R281 PolarHBondContact O-N 3.18Å; T263-R281 VanDerWaalsContact O-N 3.09Å
264	L	96.4	Very high	97.3	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.136	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.5	-179.2	-63.6	176	0	0	0	110.2	E278 L279 R280	L264-E278 HydrophobicContact CB-CG 4.49Å; L264-E278 HydrophobicContact CD1-CG 4.27Å; L264-E278 HydrophobicContact CD2-CG 4.11Å; L264-L279 WeakPolarHBondContact CA-O 3.38Å; L264-R280 HydrophobicContact CD2-CB 4.29Å
265	I	97.8	Very high	97.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.4	171.1	-64.7	84.5	0	0	0	106.2	T257 A258 L279 R281 L291 L300 V302	T257-I265 WeakPolarHBondContact O-CA 3.23Å; A258-I265 HydrophobicContact CB-CG1 4.35Å; I265-L279 HydrophobicContact CB-CB 4.3Å; I265-L279 PolarHBondContact N-O 2.8Å; I265-L279 PolarHBondContact O-N 3.04Å; I265-R281 HydrophobicContact CD1-CB 3.52Å; I265-R281 HydrophobicContact CD1-CG 4.43Å; I265-L291 HydrophobicContact CG1-CD2 4.18Å; I265-L291 HydrophobicContact CG2-CD2 4.08Å; I265-L300 HydrophobicContact CG2-CD2 3.81Å; I265-V302 HydrophobicContact CD1-CG1 3.76Å; I265-V302 HydrophobicContact CD1-CG2 4.34Å; I265-V302 HydrophobicContact CG1-CG1 3.94Å; I265-V302 HydrophobicContact CG1-CG2 4.1Å
266	R	97.9	Very high	97.1	Very high	54 Å²	54	38.4 Å²	38.4	20%	0.204	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.5	-178	-71.8	176.7	175.8	144.8	0.5	110.1	A238 A256 T257 F268 L275 H277 E278	A238-R266 WeakPolarHBondContact O-CD 3.23Å; A238-R266 PolarHBondContact O-NH1 2.75Å; A256-R266 CarbonylContact C-O 3.59Å; A256-R266 WeakPolarHBondContact CA-O 3.29Å; T257-R266 PolarHBondContact N-O 3.21Å; T257-R266 PolarHBondContact O-N 3.35Å; T257-R266 PolarHBondContact OG1-O 2.79Å; R266-F268 HydrophobicContact CB-CD2 4.29Å; R266-F268 HydrophobicContact CB-CE2 3.44Å; R266-F268 VanDerWaalsContact CB-CE2 3.44Å; R266-F268 HydrophobicContact CB-CZ 3.85Å; R266-L275 HydrophobicContact CB-CD1 3.78Å; R266-L275 HydrophobicContact CG-CD1 3.95Å; R266-H277 CarbonylContact C-O 3.48Å; R266-H277 WeakPolarHBondContact CA-O 3.42Å; R266-E278 HydrophobicContact CG-CB 4.48Å; R266-E278 HydrophobicContact CG-CG 4.18Å; R266-E278 IonicContact CZ-OE2 2.79Å; R266-E278 IonicContact NE-OE2 3.03Å; R266-E278 PolarHBondContact NE-OE2 3.02Å; R266-E278 IonicContact NH2-OE2 2.75Å; R266-E278 PolarHBondContact NH2-OE2 3.02Å
267	I	98.2	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.2	176.5	-50.9	178.9	0	0	0	108	L254 L255 A256 L276 H277 L279 F293 L300 L314	L254-I267 HydrophobicContact CB-CG2 4.23Å; L254-I267 HydrophobicContact CD2-CG2 4.42Å; L255-I267 CarbonylContact O-C 3.55Å; L255-I267 VanDerWaalsContact O-CA 3.27Å; L255-I267 WeakPolarHBondContact O-CA 3.42Å; A256-I267 HydrophobicContact CB-CG1 4.22Å; I267-L276 WeakPolarHBondContact O-CA 3.48Å; I267-L276 WeakPolarHBondContact O-CB 3.49Å; I267-L276 PolarHBondContact O-N 2.84Å; I267-H277 HydrophobicContact CB-CB 3.97Å; I267-H277 HydrophobicContact CD1-CB 4Å; I267-H277 HydrophobicContact CG1-CB 4.1Å; I267-H277 PolarHBondContact N-O 2.7Å; I267-H277 PolarHBondContact O-N 3.38Å; I267-L279 HydrophobicContact CD1-CD1 3.87Å; I267-L279 HydrophobicContact CG1-CD1 4.43Å; I267-F293 HydrophobicContact CD1-CE1 4.43Å; I267-F293 HydrophobicContact CG2-CZ 4.23Å; I267-L300 HydrophobicContact CD1-CD2 3.92Å; I267-L300 HydrophobicContact CG1-CD2 4.3Å; I267-L314 HydrophobicContact CD1-CD1 3.69Å; I267-L314 HydrophobicContact CD1-CD2 3.35Å; I267-L314 HydrophobicContact CD1-CG 4.17Å
268	F	98.5	Very high	96.8	Very high	12 Å²	12	42.3 Å²	42.3	5%	0.053	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.6	180	-61.3	-95.2	0	0	0	110.6	I236 A238 L254 L255 T257 R266 T274 L275	I236-F268 HydrophobicContact CD1-CB 3.83Å; I236-F268 HydrophobicContact CD1-CD1 4.21Å; I236-F268 HydrophobicContact CD1-CG 4.02Å; I236-F268 HydrophobicContact CG2-CD1 3.57Å; I236-F268 HydrophobicContact CG2-CD2 4.21Å; I236-F268 HydrophobicContact CG2-CE1 3.42Å; I236-F268 VanDerWaalsContact CG2-CE1 3.42Å; I236-F268 HydrophobicContact CG2-CE2 4.08Å; I236-F268 HydrophobicContact CG2-CG 3.98Å; I236-F268 HydrophobicContact CG2-CZ 3.7Å; A238-F268 HydrophobicContact CB-CE2 3.8Å; A238-F268 HydrophobicContact CB-CZ 3.95Å; L254-F268 WeakPolarHBondContact CA-O 3.43Å; L255-F268 HydrophobicContact CB-CB 4.49Å; L255-F268 PolarHBondContact N-O 3.4Å; L255-F268 PolarHBondContact O-N 2.95Å; T257-F268 HydrophobicContact CG2-CD2 4.46Å; T257-F268 HydrophobicContact CG2-CE2 4.46Å; R266-F268 HydrophobicContact CB-CD2 4.29Å; R266-F268 HydrophobicContact CB-CE2 3.44Å; R266-F268 VanDerWaalsContact CB-CE2 3.44Å; R266-F268 HydrophobicContact CB-CZ 3.85Å; F268-T274 CarbonylContact C-O 3.56Å; F268-T274 WeakPolarHBondContact CA-O 3.42Å; F268-T274 WeakPolarHBondContact CB-O 3.3Å; F268-L275 HydrophobicContact CD1-CB 4.07Å; F268-L275 HydrophobicContact CD1-CD1 4.13Å; F268-L275 HydrophobicContact CE1-CB 3.87Å; F268-L275 HydrophobicContact CE1-CD1 3.69Å; F268-L275 HydrophobicContact CE1-CG 4.37Å; F268-L275 HydrophobicContact CE2-CD1 4.22Å; F268-L275 HydrophobicContact CZ-CD1 3.74Å
269	S	97.8	Very high	96.6	Very high	16 Å²	16	42.4 Å²	42.4	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.8	162.4	159.1	0	0	0	0	108	K271 D272 C273 T274	S269-K271 VanDerWaalsContact C-N 3.27Å; S269-K271 PolarHBondContact OG-N 2.83Å; S269-D272 WeakPolarHBondContact CB-OD1 3.43Å; S269-D272 PolarHBondContact OG-N 3.45Å; S269-D272 PolarHBondContact OG-OD1 3.37Å; S269-C273 WeakPolarHBondContact O-CA 3.33Å; S269-C273 PolarHBondContact O-N 2.94Å; S269-T274 PolarHBondContact N-O 2.87Å
270	T	97.3	Very high	96.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.7	174.2	68.8	0	0	0	0	111.6	L160 L173 R234 L248 G252 Y253 L255	L160-T270 HydrophobicContact CD2-CG2 3.82Å; L173-T270 HydrophobicContact CD2-CG2 4.16Å; R234-T270 PolarHBondContact NH1-O 3.33Å; R234-T270 PolarHBondContact NH2-O 2.97Å; L248-T270 HydrophobicContact CD2-CG2 3.87Å; G252-T270 WeakPolarHBondContact O-CB 3.18Å; G252-T270 VanDerWaalsContact O-CG2 3.27Å; G252-T270 WeakPolarHBondContact O-CG2 3.31Å; G252-T270 PolarHBondContact O-OG1 2.79Å; Y253-T270 VanDerWaalsContact CA-OG1 3.28Å; Y253-T270 WeakPolarHBondContact CA-OG1 3.22Å; Y253-T270 PolarHBondContact O-N 2.84Å; Y253-T270 PolarHBondContact O-OG1 3.13Å; L255-T270 HydrophobicContact CB-CG2 3.75Å
271	K	94.4	Very high	96.3	Very high	169 Å²	169	43.6 Å²	43.6	74%	0.735	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-47	179.7	-176.9	178.8	178.2	179.2	0	112.1	R234 S269	R234-K271 PolarHBondContact NH1-O 3.47Å; S269-K271 VanDerWaalsContact C-N 3.27Å; S269-K271 PolarHBondContact OG-N 2.83Å
272	D	95.6	Very high	95.9	Very high	95 Å²	95	39.5 Å²	39.5	51%	0.508	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	5.2	-174.4	62.1	4	0	0	0	113.4	S269 T274	S269-D272 WeakPolarHBondContact CB-OD1 3.43Å; S269-D272 PolarHBondContact OG-N 3.45Å; S269-D272 PolarHBondContact OG-OD1 3.37Å; D272-T274 HydrophobicContact CB-CG2 4.25Å; D272-T274 VanDerWaalsContact CG-CG2 3.47Å; D272-T274 PolarHBondContact O-N 2.82Å; D272-T274 WeakPolarHBondContact OD1-CB 2.98Å; D272-T274 WeakPolarHBondContact OD1-CG2 3.32Å; D272-T274 PolarHBondContact OD1-N 2.96Å; D272-T274 PolarHBondContact OD1-OG1 3.39Å; D272-T274 PolarHBondContact OD2-OG1 2.75Å
273	C	97.5	Very high	95.5	Very high	34 Å²	34	45.8 Å²	45.8	23%	0.23	24%	0.235	C	C	.	.			trans	62.3	20.5	178.3	-64	0	0	0	0	114.3	I236 S269	I236-C273 HydrophobicContact CD1-CB 4Å; I236-C273 HydrophobicContact CG1-CB 3.75Å; S269-C273 WeakPolarHBondContact O-CA 3.33Å; S269-C273 PolarHBondContact O-N 2.94Å
274	T	97.6	Very high	95.3	Very high	60 Å²	60	47.9 Å²	47.9	37%	0.368	25%	0.25	S	S	.	.			trans	-82.2	147.1	179.5	60.1	0	0	0	0	112.2	F268 S269 D272 L276	F268-T274 CarbonylContact C-O 3.56Å; F268-T274 WeakPolarHBondContact CA-O 3.42Å; F268-T274 WeakPolarHBondContact CB-O 3.3Å; S269-T274 PolarHBondContact N-O 2.87Å; D272-T274 HydrophobicContact CB-CG2 4.25Å; D272-T274 VanDerWaalsContact CG-CG2 3.47Å; D272-T274 PolarHBondContact O-N 2.82Å; D272-T274 WeakPolarHBondContact OD1-CB 2.98Å; D272-T274 WeakPolarHBondContact OD1-CG2 3.32Å; D272-T274 PolarHBondContact OD1-N 2.96Å; D272-T274 PolarHBondContact OD1-OG1 3.39Å; D272-T274 PolarHBondContact OD2-OG1 2.75Å; T274-L276 PolarHBondContact O-N 3.03Å
275	L	97.6	Very high	95.3	Very high	71 Å²	71	52.2 Å²	52.2	37%	0.372	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	117.1	172.4	178.4	67.6	0	0	0	109.2	R266 F268 H277	R266-L275 HydrophobicContact CB-CD1 3.78Å; R266-L275 HydrophobicContact CG-CD1 3.95Å; F268-L275 HydrophobicContact CD1-CB 4.07Å; F268-L275 HydrophobicContact CD1-CD1 4.13Å; F268-L275 HydrophobicContact CE1-CB 3.87Å; F268-L275 HydrophobicContact CE1-CD1 3.69Å; F268-L275 HydrophobicContact CE1-CG 4.37Å; F268-L275 HydrophobicContact CE2-CD1 4.22Å; F268-L275 HydrophobicContact CZ-CD1 3.74Å; L275-H277 WeakPolarHBondContact CD1-O 3.09Å
276	L	95.9	Very high	95.1	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-36.6	179.5	-66	179.9	0	0	0	113.3	L254 I267 T274 F368	L254-L276 HydrophobicContact CD2-CD1 3.44Å; L254-L276 VanDerWaalsContact CD2-CD1 3.44Å; I267-L276 WeakPolarHBondContact O-CA 3.48Å; I267-L276 WeakPolarHBondContact O-CB 3.49Å; I267-L276 PolarHBondContact O-N 2.84Å; T274-L276 PolarHBondContact O-N 3.03Å; L276-F368 VanDerWaalsContact O-CE1 3.28Å; L276-F368 WeakPolarHBondContact O-CE1 3.31Å; L276-F368 WeakPolarHBondContact O-CE2 3.22Å; L276-F368 WeakPolarHBondContact O-CZ 3.4Å
277	H	94.9	Very high	95	Very high	18 Å²	18	52.5 Å²	52.5	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.8	177.4	-59.2	-94.9	0	0	0	111.2	R266 I267 L275 L279 L314 F368	R266-H277 CarbonylContact C-O 3.48Å; R266-H277 WeakPolarHBondContact CA-O 3.42Å; I267-H277 HydrophobicContact CB-CB 3.97Å; I267-H277 HydrophobicContact CD1-CB 4Å; I267-H277 HydrophobicContact CG1-CB 4.1Å; I267-H277 PolarHBondContact N-O 2.7Å; I267-H277 PolarHBondContact O-N 3.38Å; L275-H277 WeakPolarHBondContact CD1-O 3.09Å; H277-L279 HydrophobicContact CB-CD2 4.19Å; H277-L279 HydrophobicContact CB-CG 4.31Å; H277-L314 PolarHBondContact CE1-O 3.33Å; H277-L314 VanDerWaalsContact CE1-O 3.31Å; H277-F368 HydrophobicContact CB-CD2 4.25Å; H277-F368 HydrophobicContact CB-CE2 4.45Å; H277-F368 HydrophobicContact CB-CG 4.36Å; H277-F368 AromaticContact CE1-CD1 3.66Å; H277-F368 AromaticContact CE1-CE1 3.58Å; H277-F368 AromaticContact ND1-CD1 3.09Å; H277-F368 WeakPolarHBondContact ND1-CD1 3.34Å; H277-F368 AromaticContact ND1-CE1 3.32Å; H277-F368 VanDerWaalsContact ND1-CE1 3.32Å; H277-F368 WeakPolarHBondContact ND1-CE1 3.29Å; H277-F368 AromaticContact ND1-CG 3.63Å
278	E	95.6	Very high	94.9	Very high	64 Å²	64	52.8 Å²	52.8	30%	0.299	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	108.7	165.4	-175.6	172.1	99.7	0	0	108.7	L264 R266	L264-E278 HydrophobicContact CB-CG 4.49Å; L264-E278 HydrophobicContact CD1-CG 4.27Å; L264-E278 HydrophobicContact CD2-CG 4.11Å; R266-E278 HydrophobicContact CG-CB 4.48Å; R266-E278 HydrophobicContact CG-CG 4.18Å; R266-E278 IonicContact CZ-OE2 2.79Å; R266-E278 IonicContact NE-OE2 3.03Å; R266-E278 PolarHBondContact NE-OE2 3.02Å; R266-E278 IonicContact NH2-OE2 2.75Å; R266-E278 PolarHBondContact NH2-OE2 3.02Å
279	L	94.8	Very high	94.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.7	-173.2	-53.2	174.5	0	0	0	109.5	L264 I265 I267 H277 L300 F312 L314	L264-L279 WeakPolarHBondContact CA-O 3.38Å; I265-L279 HydrophobicContact CB-CB 4.3Å; I265-L279 PolarHBondContact N-O 2.8Å; I265-L279 PolarHBondContact O-N 3.04Å; I267-L279 HydrophobicContact CD1-CD1 3.87Å; I267-L279 HydrophobicContact CG1-CD1 4.43Å; H277-L279 HydrophobicContact CB-CD2 4.19Å; H277-L279 HydrophobicContact CB-CG 4.31Å; L279-L300 HydrophobicContact CD1-CD2 3.91Å; L279-F312 HydrophobicContact CB-CD1 3.99Å; L279-F312 HydrophobicContact CB-CE1 3.94Å; L279-F312 HydrophobicContact CB-CG 4.35Å; L279-F312 HydrophobicContact CB-CZ 4.26Å; L279-F312 HydrophobicContact CD1-CB 3.75Å; L279-F312 HydrophobicContact CD1-CD1 4.11Å; L279-F312 HydrophobicContact CD1-CD2 4.07Å; L279-F312 HydrophobicContact CD1-CG 3.73Å; L279-F312 HydrophobicContact CD2-CB 4.37Å; L279-F312 HydrophobicContact CD2-CD1 3.99Å; L279-F312 HydrophobicContact CD2-CG 4.35Å; L279-F312 HydrophobicContact CG-CD1 4.25Å; L279-F312 HydrophobicContact CG-CG 4.37Å; L279-L314 HydrophobicContact CD1-CD2 4.11Å
280	R	94.2	Very high	94.8	Very high	108 Å²	108	52.8 Å²	52.8	41%	0.408	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.5	179.6	-179.9	165.1	-70.7	-80	1.8	110.2	L264 G282 T370	L264-R280 HydrophobicContact CD2-CB 4.29Å; R280-G282 PolarHBondContact NH1-O 2.96Å; R280-T370 WeakPolarHBondContact CB-O 3.37Å; R280-T370 PolarHBondContact N-O 3.2Å; R280-T370 VanDerWaalsContact N-O 3.1Å
281	R	92.4	Very high	94.8	Very high	21 Å²	21	52.8 Å²	52.8	8%	0.079	28%	0.279	C	S	.	.			trans	-70.1	-41.9	171.5	-176.8	-83.4	-55.8	156.4	4.7	111.6	G262 T263 I265 S284 A286 I288 V302	G262-R281 PolarHBondContact O-NE 3.41Å; G262-R281 PolarHBondContact O-NH2 3.5Å; T263-R281 PolarHBondContact O-N 3.18Å; T263-R281 VanDerWaalsContact O-N 3.09Å; I265-R281 HydrophobicContact CD1-CB 3.52Å; I265-R281 HydrophobicContact CD1-CG 4.43Å; R281-S284 PolarHBondContact NH1-O 3.15Å; R281-S284 PolarHBondContact NH2-O 2.8Å; R281-A286 VanDerWaalsContact CZ-CB 3.42Å; R281-I288 HydrophobicContact CG-CD1 4.4Å; R281-V302 HydrophobicContact CG-CG1 4.42Å
282	G	87.4	Confident	95	Very high	18 Å²	18	44.7 Å²	44.7	19%	0.186	24%	0.244	C	C	.	.			trans	-177.8	179.9	-179.1	0	0	0	0	0	113.5	R280	R280-G282 PolarHBondContact NH1-O 2.96Å
283	T	88.1	Confident	95.1	Very high	131 Å²	131	40.4 Å²	40.4	80%	0.804	22%	0.221	S	C	*	.	S	Bend	trans	-85.1	-40.7	177.7	50.4	0	0	0	0	112.2
284	S	92.4	Very high	95.1	Very high	59 Å²	59	39.2 Å²	39.2	41%	0.413	21%	0.212	S	C	.	.	S	Bend	trans	-82	152.6	179	58.9	0	0	0	0	112	R281	R281-S284 PolarHBondContact NH1-O 3.15Å; R281-S284 PolarHBondContact NH2-O 2.8Å
285	Q	95.4	Very high	95	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	22%	0.224	S	C	.	.			trans	-65.1	143.2	171.7	174.5	167.9	8.5	0	0	111.9	Q260 K261 R306	Q260-Q285 PolarHBondContact O-NE2 3.28Å; K261-Q285 WeakPolarHBondContact O-CA 3.48Å; K261-Q285 WeakPolarHBondContact O-CG 3.38Å; Q285-R306 PolarHBondContact O-NH2 2.92Å
286	A	94.7	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.			trans	-158.3	135.5	171.4	0	0	0	0	0	109.3	G262 R281 I288 E305 R306	G262-A286 WeakPolarHBondContact CA-O 3.44Å; R281-A286 VanDerWaalsContact CZ-CB 3.42Å; A286-I288 PolarHBondContact O-N 2.98Å; A286-E305 WeakPolarHBondContact CA-OE1 3.27Å; A286-E305 HydrophobicContact CB-CG 4.46Å; A286-R306 HydrophobicContact CB-CG 3.51Å
287	T	93.9	Very high	94.8	Very high	59 Å²	59	44 Å²	44	36%	0.362	23%	0.23	S	C	.	.			trans	-65.6	126.7	173.3	-50.9	0	0	0	0	110	S304 E305	T287-S304 CarbonylContact O-C 3.58Å; T287-S304 VanDerWaalsContact O-CA 3.22Å; T287-S304 WeakPolarHBondContact O-CA 3.23Å; T287-S304 WeakPolarHBondContact O-CB 3.29Å; T287-E305 VanDerWaalsContact CB-CD 3.42Å; T287-E305 WeakPolarHBondContact CB-OE2 3.36Å; T287-E305 VanDerWaalsContact N-CD 3.34Å; T287-E305 PolarHBondContact N-OE1 3.06Å; T287-E305 PolarHBondContact O-N 3.22Å; T287-E305 VanDerWaalsContact OG1-CD 3.27Å; T287-E305 PolarHBondContact OG1-OE1 2.74Å; T287-E305 VanDerWaalsContact OG1-OE1 3.12Å; T287-E305 PolarHBondContact OG1-OE2 3.03Å
288	I	97.2	Very high	94.8	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.6	173.2	-57.5	-50.4	0	0	0	108.4	A258 R281 A286 L291 V302 T303	A258-I288 HydrophobicContact CB-CB 4.01Å; A258-I288 HydrophobicContact CB-CG1 3.61Å; A258-I288 HydrophobicContact CB-CG2 4.29Å; R281-I288 HydrophobicContact CG-CD1 4.4Å; A286-I288 PolarHBondContact O-N 2.98Å; I288-L291 HydrophobicContact CG2-CD2 3.83Å; I288-L291 HydrophobicContact CG2-CG 3.94Å; I288-V302 HydrophobicContact CD1-CG1 3.89Å; I288-V302 HydrophobicContact CG2-CG1 4.25Å; I288-T303 CarbonylContact C-O 3.54Å; I288-T303 WeakPolarHBondContact CA-O 3.16Å; I288-T303 WeakPolarHBondContact CG2-O 3.41Å
289	T	96.2	Very high	94.7	Very high	28 Å²	28	43.6 Å²	43.6	17%	0.172	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-31.7	-179.1	56.8	0	0	0	0	112	T303 A384	T289-T303 PolarHBondContact N-O 2.74Å; T289-T303 WeakPolarHBondContact OG1-CB 3.39Å; T289-T303 WeakPolarHBondContact OG1-CG2 2.89Å; T289-T303 PolarHBondContact OG1-O 3.05Å; T289-A384 VanDerWaalsContact CB-O 3.26Å; T289-A384 WeakPolarHBondContact CB-O 3.28Å; T289-A384 PolarHBondContact OG1-O 3.3Å
290	S	97.6	Very high	94.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	151.5	176.1	48.9	0	0	0	0	113.2	M1 T303 I385 C386	M1-S290 WeakPolarHBondContact SD-CB 3.41Å; S290-T303 PolarHBondContact N-O 3.33Å; S290-T303 PolarHBondContact O-N 3.38Å; S290-T303 VanDerWaalsContact OG-CB 3.27Å; S290-T303 WeakPolarHBondContact OG-CB 3.37Å; S290-T303 PolarHBondContact OG-OG1 2.78Å; S290-I385 WeakPolarHBondContact OG-CA 3.34Å; S290-C386 PolarHBondContact OG-N 2.8Å
291	L	98.4	Very high	95	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.6	170.2	-64	175.1	0	0	0	106.9	T247 A256 A258 I265 I288 C301 V302	T247-L291 HydrophobicContact CG2-CB 3.4Å; T247-L291 HydrophobicContact CG2-CD1 4.33Å; T247-L291 WeakPolarHBondContact CG2-O 2.95Å; T247-L291 PolarHBondContact OG1-O 2.91Å; A256-L291 HydrophobicContact CB-CD1 4.26Å; A258-L291 HydrophobicContact CB-CD1 4.39Å; I265-L291 HydrophobicContact CG1-CD2 4.18Å; I265-L291 HydrophobicContact CG2-CD2 4.08Å; I288-L291 HydrophobicContact CG2-CD2 3.83Å; I288-L291 HydrophobicContact CG2-CG 3.94Å; L291-C301 WeakPolarHBondContact CA-O 3.46Å; L291-V302 HydrophobicContact CD2-CB 4.17Å; L291-V302 HydrophobicContact CD2-CG1 3.92Å; L291-V302 HydrophobicContact CD2-CG2 3.72Å
292	S	98.2	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.4	179	50.8	0	0	0	0	110.7	C301 C386 F388	S292-C301 PolarHBondContact N-O 3.09Å; S292-C301 PolarHBondContact O-N 2.89Å; S292-C301 WeakPolarHBondContact OG-CB 3.34Å; S292-C386 WeakPolarHBondContact CB-O 3.44Å; S292-C386 PolarHBondContact OG-O 3.14Å; S292-F388 WeakPolarHBondContact O-CE2 3.45Å
293	F	98.1	Very high	95.8	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.022	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	148.2	167.7	-71.9	-83.7	0	0	0	108.7	Y24 T247 N249 L254 A256 I267 L299 L300 L314	Y24-F293 WeakPolarHBondContact CE2-O 3.32Å; T247-F293 HydrophobicContact CG2-CD2 4.08Å; T247-F293 HydrophobicContact CG2-CE2 3.9Å; N249-F293 HydrophobicContact CB-CB 4.07Å; N249-F293 HydrophobicContact CB-CD1 4.15Å; N249-F293 HydrophobicContact CB-CD2 3.67Å; N249-F293 HydrophobicContact CB-CE1 4.5Å; N249-F293 HydrophobicContact CB-CE2 4.06Å; N249-F293 HydrophobicContact CB-CG 3.71Å; N249-F293 HydrophobicContact CB-CZ 4.45Å; L254-F293 HydrophobicContact CB-CE1 4.11Å; L254-F293 HydrophobicContact CB-CE2 4.46Å; L254-F293 HydrophobicContact CB-CZ 3.8Å; L254-F293 HydrophobicContact CD1-CE1 3.95Å; L254-F293 HydrophobicContact CD1-CZ 4.49Å; A256-F293 HydrophobicContact CB-CE2 3.75Å; A256-F293 HydrophobicContact CB-CZ 3.67Å; I267-F293 HydrophobicContact CD1-CE1 4.43Å; I267-F293 HydrophobicContact CG2-CZ 4.23Å; F293-L299 WeakPolarHBondContact CA-O 3.25Å; F293-L300 HydrophobicContact CD1-CD1 4Å; F293-L300 HydrophobicContact CD2-CD1 4.14Å; F293-L300 HydrophobicContact CE1-CD1 4.04Å; F293-L300 HydrophobicContact CE2-CD1 4.19Å; F293-L300 HydrophobicContact CG-CD1 4.06Å; F293-L300 HydrophobicContact CZ-CD1 4.14Å; F293-L314 HydrophobicContact CD1-CD1 3.92Å; F293-L314 HydrophobicContact CE1-CD1 3.58Å
294	N	96.5	Very high	96.1	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.048	16%	0.162	C	C	.	.			trans	-75.1	175.8	165.3	77.2	-31.6	0	0	0	110.6	D296 S297 D298 L299 F388	N294-D296 VanDerWaalsContact C-N 3.28Å; N294-D296 PolarHBondContact O-N 3.33Å; N294-S297 PolarHBondContact O-N 3.03Å; N294-S297 VanDerWaalsContact O-N 3.12Å; N294-S297 WeakPolarHBondContact OD1-CA 3.47Å; N294-S297 PolarHBondContact OD1-N 2.73Å; N294-D298 PolarHBondContact ND2-OD1 3.45Å; N294-D298 PolarHBondContact OD1-N 2.89Å; N294-D298 PolarHBondContact OD1-OD1 2.82Å; N294-D298 VanDerWaalsContact OD1-OD1 3.06Å; N294-L299 HydrophobicContact CB-CB 4.16Å; N294-L299 PolarHBondContact N-O 3.03Å; N294-L299 PolarHBondContact OD1-N 2.9Å; N294-L299 PolarHBondContact OD1-O 3.17Å; N294-F388 VanDerWaalsContact CA-CD2 3.46Å; N294-F388 HydrophobicContact CB-CB 4.25Å; N294-F388 HydrophobicContact CB-CD1 3.9Å; N294-F388 HydrophobicContact CB-CD2 3.56Å; N294-F388 HydrophobicContact CB-CE1 4.1Å; N294-F388 HydrophobicContact CB-CE2 3.76Å; N294-F388 HydrophobicContact CB-CG 3.63Å; N294-F388 HydrophobicContact CB-CZ 4.03Å
295	K	95	Very high	96	Very high	142 Å²	142	32 Å²	32	62%	0.617	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.7	-175.5	-174.3	177.9	178.2	-179.8	0	113.1	S297	K295-S297 VanDerWaalsContact C-N 3.32Å
296	D	94.5	Very high	95.8	Very high	115 Å²	115	33.7 Å²	33.7	62%	0.615	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.1	-176.6	-56.3	-44.7	0	0	0	112.8	N294 D298	N294-D296 VanDerWaalsContact C-N 3.28Å; N294-D296 PolarHBondContact O-N 3.33Å; D296-D298 PolarHBondContact O-N 3.3Å
297	S	95.5	Very high	95.4	Very high	18 Å²	18	34.7 Å²	34.7	13%	0.126	17%	0.174	C	C	.	.	S	Bend	trans	60.2	21.8	180	-49.9	0	0	0	0	114.8	N249 N294 K295	N249-S297 WeakPolarHBondContact CB-OG 3.17Å; N249-S297 PolarHBondContact ND2-OG 3.32Å; N294-S297 PolarHBondContact O-N 3.03Å; N294-S297 VanDerWaalsContact O-N 3.12Å; N294-S297 WeakPolarHBondContact OD1-CA 3.47Å; N294-S297 PolarHBondContact OD1-N 2.73Å; K295-S297 VanDerWaalsContact C-N 3.32Å
298	D	94	Very high	95.4	Very high	55 Å²	55	32.4 Å²	32.4	29%	0.294	16%	0.16	S	C	.	.	S	Bend	trans	-98.5	-12.3	176.8	70.3	-25.2	0	0	0	112.9	N294 D296 L314 T315	N294-D298 PolarHBondContact ND2-OD1 3.45Å; N294-D298 PolarHBondContact OD1-N 2.89Å; N294-D298 PolarHBondContact OD1-OD1 2.82Å; N294-D298 VanDerWaalsContact OD1-OD1 3.06Å; D296-D298 PolarHBondContact O-N 3.3Å; D298-L314 WeakPolarHBondContact O-CB 3.49Å; D298-L314 PolarHBondContact O-N 2.88Å; D298-T315 HydrophobicContact CB-CG2 3.72Å
299	L	95.3	Very high	95.3	Very high	20 Å²	20	32.1 Å²	32.1	11%	0.105	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143	171.5	-57.7	178.4	0	0	0	111.6	F293 N294 I311 F312 C313 F388 F410	F293-L299 WeakPolarHBondContact CA-O 3.25Å; N294-L299 HydrophobicContact CB-CB 4.16Å; N294-L299 PolarHBondContact N-O 3.03Å; N294-L299 PolarHBondContact OD1-N 2.9Å; N294-L299 PolarHBondContact OD1-O 3.17Å; L299-I311 HydrophobicContact CB-CG2 4.12Å; L299-I311 HydrophobicContact CD1-CG2 4.26Å; L299-I311 HydrophobicContact CD2-CG2 4.22Å; L299-I311 HydrophobicContact CG-CG2 4.45Å; L299-F312 CarbonylContact C-O 3.57Å; L299-F312 VanDerWaalsContact CA-O 3.31Å; L299-F312 WeakPolarHBondContact CA-O 3.29Å; L299-C313 HydrophobicContact CD2-CB 4.25Å; L299-F388 HydrophobicContact CB-CE1 4.11Å; L299-F388 HydrophobicContact CB-CE2 4.39Å; L299-F388 HydrophobicContact CB-CZ 3.64Å; L299-F388 HydrophobicContact CD1-CE1 3.99Å; L299-F388 HydrophobicContact CD1-CZ 4.36Å; L299-F410 HydrophobicContact CD1-CE2 4.12Å; L299-F410 HydrophobicContact CD1-CZ 4.08Å
300	L	97.5	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.2	169.1	-178.4	74	0	0	0	110.3	A256 I265 I267 L279 F293 V302 I311 F312 L314	A256-L300 HydrophobicContact CB-CD1 4.11Å; A256-L300 HydrophobicContact CB-CD2 4.1Å; I265-L300 HydrophobicContact CG2-CD2 3.81Å; I267-L300 HydrophobicContact CD1-CD2 3.92Å; I267-L300 HydrophobicContact CG1-CD2 4.3Å; L279-L300 HydrophobicContact CD1-CD2 3.91Å; F293-L300 HydrophobicContact CD1-CD1 4Å; F293-L300 HydrophobicContact CD2-CD1 4.14Å; F293-L300 HydrophobicContact CE1-CD1 4.04Å; F293-L300 HydrophobicContact CE2-CD1 4.19Å; F293-L300 HydrophobicContact CG-CD1 4.06Å; F293-L300 HydrophobicContact CZ-CD1 4.14Å; L300-V302 HydrophobicContact CD2-CG2 4.01Å; L300-V302 HydrophobicContact CG-CG2 4.14Å; L300-I311 WeakPolarHBondContact O-CA 3.46Å; L300-F312 PolarHBondContact N-O 2.95Å; L300-F312 PolarHBondContact O-N 2.93Å; L300-L314 HydrophobicContact CB-CD1 4.13Å; L300-L314 HydrophobicContact CB-CD2 4.33Å; L300-L314 HydrophobicContact CB-CG 4.44Å
301	C	97.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.2	168.1	-173.7	0	0	0	0	110.3	L291 S292 H310 I311 F388 L396	L291-C301 WeakPolarHBondContact CA-O 3.46Å; S292-C301 PolarHBondContact N-O 3.09Å; S292-C301 PolarHBondContact O-N 2.89Å; S292-C301 WeakPolarHBondContact OG-CB 3.34Å; C301-H310 CarbonylContact C-O 3.57Å; C301-H310 WeakPolarHBondContact CA-O 3.38Å; C301-I311 HydrophobicContact CB-CG1 4.48Å; C301-F388 HydrophobicContact CB-CD2 4.49Å; C301-F388 HydrophobicContact CB-CE2 3.71Å; C301-F388 HydrophobicContact CB-CZ 3.92Å; C301-L396 HydrophobicContact CB-CD1 4.1Å; C301-L396 VanDerWaalsContact SG-CD1 3.58Å
302	V	97.9	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	115.6	178.8	-178.9	0	0	0	0	108.9	I265 R281 I288 L291 L300 A309 H310 F312	I265-V302 HydrophobicContact CD1-CG1 3.76Å; I265-V302 HydrophobicContact CD1-CG2 4.34Å; I265-V302 HydrophobicContact CG1-CG1 3.94Å; I265-V302 HydrophobicContact CG1-CG2 4.1Å; R281-V302 HydrophobicContact CG-CG1 4.42Å; I288-V302 HydrophobicContact CD1-CG1 3.89Å; I288-V302 HydrophobicContact CG2-CG1 4.25Å; L291-V302 HydrophobicContact CD2-CB 4.17Å; L291-V302 HydrophobicContact CD2-CG1 3.92Å; L291-V302 HydrophobicContact CD2-CG2 3.72Å; L300-V302 HydrophobicContact CD2-CG2 4.01Å; L300-V302 HydrophobicContact CG-CG2 4.14Å; V302-A309 CarbonylContact O-C 2.99Å; V302-A309 WeakPolarHBondContact O-CA 3.49Å; V302-H310 HydrophobicContact CB-CB 4.48Å; V302-H310 PolarHBondContact N-O 3.3Å; V302-H310 PolarHBondContact O-N 2.71Å; V302-F312 HydrophobicContact CB-CE2 4.13Å; V302-F312 HydrophobicContact CG2-CD2 3.85Å; V302-F312 HydrophobicContact CG2-CE2 3.72Å
303	T	97.5	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.2	176.5	-49.9	0	0	0	0	110.4	I288 T289 S290 L378 C386	I288-T303 CarbonylContact C-O 3.54Å; I288-T303 WeakPolarHBondContact CA-O 3.16Å; I288-T303 WeakPolarHBondContact CG2-O 3.41Å; T289-T303 PolarHBondContact N-O 2.74Å; T289-T303 WeakPolarHBondContact OG1-CB 3.39Å; T289-T303 WeakPolarHBondContact OG1-CG2 2.89Å; T289-T303 PolarHBondContact OG1-O 3.05Å; S290-T303 PolarHBondContact N-O 3.33Å; S290-T303 PolarHBondContact O-N 3.38Å; S290-T303 VanDerWaalsContact OG-CB 3.27Å; S290-T303 WeakPolarHBondContact OG-CB 3.37Å; S290-T303 PolarHBondContact OG-OG1 2.78Å; T303-L378 HydrophobicContact CG2-CD1 3.75Å; T303-C386 WeakPolarHBondContact OG1-CB 3.4Å; T303-C386 PolarHBondContact OG1-SG 2.84Å
304	S	94.6	Very high	94.4	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.028	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	166.3	178.1	71.5	0	0	0	0	112.1	T287 R306 G307 T308	T287-S304 CarbonylContact O-C 3.58Å; T287-S304 VanDerWaalsContact O-CA 3.22Å; T287-S304 WeakPolarHBondContact O-CA 3.23Å; T287-S304 WeakPolarHBondContact O-CB 3.29Å; S304-R306 PolarHBondContact O-N 3.12Å; S304-R306 PolarHBondContact OG-N 3.09Å; S304-G307 PolarHBondContact O-N 3.1Å; S304-T308 PolarHBondContact N-O 3.43Å
305	E	91.3	Very high	93.8	Very high	92 Å²	92	37.8 Å²	37.8	43%	0.43	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-5.5	174.4	73.5	-167.7	164.2	0	0	114.4	A286 T287 G307	A286-E305 WeakPolarHBondContact CA-OE1 3.27Å; A286-E305 HydrophobicContact CB-CG 4.46Å; T287-E305 VanDerWaalsContact CB-CD 3.42Å; T287-E305 WeakPolarHBondContact CB-OE2 3.36Å; T287-E305 VanDerWaalsContact N-CD 3.34Å; T287-E305 PolarHBondContact N-OE1 3.06Å; T287-E305 PolarHBondContact O-N 3.22Å; T287-E305 VanDerWaalsContact OG1-CD 3.27Å; T287-E305 PolarHBondContact OG1-OE1 2.74Å; T287-E305 VanDerWaalsContact OG1-OE1 3.12Å; T287-E305 PolarHBondContact OG1-OE2 3.03Å; E305-G307 PolarHBondContact O-N 2.96Å
306	R	89.6	Confident	92.3	Very high	151 Å²	151	38.3 Å²	38.3	57%	0.57	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	9.2	177.9	-63.7	-71.8	-172.6	168.9	-0.5	113.5	Q285 A286 S304 T308	Q285-R306 PolarHBondContact O-NH2 2.92Å; A286-R306 HydrophobicContact CB-CG 3.51Å; S304-R306 PolarHBondContact O-N 3.12Å; S304-R306 PolarHBondContact OG-N 3.09Å; R306-T308 VanDerWaalsContact C-N 3.29Å; R306-T308 PolarHBondContact O-N 3.26Å
307	G	87.6	Confident	90.3	Very high	21 Å²	21	39.1 Å²	39.1	22%	0.216	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	27.1	-179.2	0	0	0	0	0	113.3	S304 E305 L378	S304-G307 PolarHBondContact O-N 3.1Å; E305-G307 PolarHBondContact O-N 2.96Å; G307-L378 WeakPolarHBondContact O-CB 3.37Å; G307-L378 PolarHBondContact O-N 2.87Å
308	T	92.5	Very high	87.4	Confident	12 Å²	12	44 Å²	44	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.5	175.3	63.4	0	0	0	0	111.8	S304 R306 H310 C376	S304-T308 PolarHBondContact N-O 3.43Å; R306-T308 VanDerWaalsContact C-N 3.29Å; R306-T308 PolarHBondContact O-N 3.26Å; T308-H310 PolarHBondContact OG1-NE2 3.13Å; T308-H310 VanDerWaalsContact OG1-NE2 3.12Å; T308-C376 WeakPolarHBondContact CA-O 3.36Å
309	A	95.8	Very high	84.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.2	166.1	0	0	0	0	0	109.4	V302 C376 L378 L396	V302-A309 CarbonylContact O-C 2.99Å; V302-A309 WeakPolarHBondContact O-CA 3.49Å; A309-C376 HydrophobicContact CB-CB 4.26Å; A309-C376 PolarHBondContact N-O 2.98Å; A309-C376 PolarHBondContact O-N 2.91Å; A309-L378 HydrophobicContact CB-CD2 4.12Å; A309-L396 HydrophobicContact CB-CD2 4.01Å
310	H	95.1	Very high	81.3	Confident	9 Å²	9	54 Å²	54	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.6	-179.5	-70.8	-95.7	0	0	0	109.3	C301 V302 T308 F312 S372 V374	C301-H310 CarbonylContact C-O 3.57Å; C301-H310 WeakPolarHBondContact CA-O 3.38Å; V302-H310 HydrophobicContact CB-CB 4.48Å; V302-H310 PolarHBondContact N-O 3.3Å; V302-H310 PolarHBondContact O-N 2.71Å; T308-H310 PolarHBondContact OG1-NE2 3.13Å; T308-H310 VanDerWaalsContact OG1-NE2 3.12Å; H310-F312 HydrophobicContact CB-CD2 4.37Å; H310-F312 HydrophobicContact CB-CE2 3.63Å; H310-F312 HydrophobicContact CB-CZ 4.13Å; H310-S372 PolarHBondContact ND1-OG 2.89Å; H310-V374 WeakPolarHBondContact CA-O 3.4Å
311	I	95.5	Very high	77.9	Confident	2 Å²	2	60 Å²	60	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.8	175.1	-53.5	176.6	0	0	0	108.4	L299 L300 C301 S372 H373 V374 F388 F410	L299-I311 HydrophobicContact CB-CG2 4.12Å; L299-I311 HydrophobicContact CD1-CG2 4.26Å; L299-I311 HydrophobicContact CD2-CG2 4.22Å; L299-I311 HydrophobicContact CG-CG2 4.45Å; L300-I311 WeakPolarHBondContact O-CA 3.46Å; C301-I311 HydrophobicContact CB-CG1 4.48Å; I311-S372 CarbonylContact O-C 3.55Å; I311-H373 PolarHBondContact O-N 3.21Å; I311-V374 HydrophobicContact CB-CB 3.94Å; I311-V374 HydrophobicContact CB-CG2 4.22Å; I311-V374 HydrophobicContact CD1-CB 4.12Å; I311-V374 HydrophobicContact CD1-CG1 4.41Å; I311-V374 HydrophobicContact CD1-CG2 4.39Å; I311-V374 HydrophobicContact CG1-CB 4.22Å; I311-V374 PolarHBondContact N-O 3.49Å; I311-V374 PolarHBondContact O-N 3.17Å; I311-F388 HydrophobicContact CD1-CE1 4.37Å; I311-F388 HydrophobicContact CG2-CE1 4.35Å; I311-F388 HydrophobicContact CG2-CZ 4.06Å; I311-F410 HydrophobicContact CD1-CD1 3.59Å; I311-F410 HydrophobicContact CD1-CD2 4.19Å; I311-F410 HydrophobicContact CD1-CE1 3.59Å; I311-F410 HydrophobicContact CD1-CE2 4.2Å; I311-F410 HydrophobicContact CD1-CG 3.91Å; I311-F410 HydrophobicContact CD1-CZ 3.91Å
312	F	94.9	Very high	74.7	Confident	2 Å²	2	66 Å²	66	1%	0.009	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.8	177.9	-64.4	-92.5	0	0	0	110.2	L279 L299 L300 V302 H310	L279-F312 HydrophobicContact CB-CD1 3.99Å; L279-F312 HydrophobicContact CB-CE1 3.94Å; L279-F312 HydrophobicContact CB-CG 4.35Å; L279-F312 HydrophobicContact CB-CZ 4.26Å; L279-F312 HydrophobicContact CD1-CB 3.75Å; L279-F312 HydrophobicContact CD1-CD1 4.11Å; L279-F312 HydrophobicContact CD1-CD2 4.07Å; L279-F312 HydrophobicContact CD1-CG 3.73Å; L279-F312 HydrophobicContact CD2-CB 4.37Å; L279-F312 HydrophobicContact CD2-CD1 3.99Å; L279-F312 HydrophobicContact CD2-CG 4.35Å; L279-F312 HydrophobicContact CG-CD1 4.25Å; L279-F312 HydrophobicContact CG-CG 4.37Å; L299-F312 CarbonylContact C-O 3.57Å; L299-F312 VanDerWaalsContact CA-O 3.31Å; L299-F312 WeakPolarHBondContact CA-O 3.29Å; L300-F312 PolarHBondContact N-O 2.95Å; L300-F312 PolarHBondContact O-N 2.93Å; V302-F312 HydrophobicContact CB-CE2 4.13Å; V302-F312 HydrophobicContact CG2-CD2 3.85Å; V302-F312 HydrophobicContact CG2-CE2 3.72Å; H310-F312 HydrophobicContact CB-CD2 4.37Å; H310-F312 HydrophobicContact CB-CE2 3.63Å; H310-F312 HydrophobicContact CB-CZ 4.13Å
313	C	92.5	Very high	71.5	Confident	58 Å²	58	75.6 Å²	75.6	39%	0.392	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.2	170	-172.3	0	0	0	0	110.1	L299 T315	L299-C313 HydrophobicContact CD2-CB 4.25Å; C313-T315 PolarHBondContact SG-OG1 3.29Å
314	L	92.1	Very high	68.3	Low	14 Å²	14	81.8 Å²	81.8	7%	0.073	43%	0.433	C	S	.	.			trans	-109.8	-7.7	-175.8	-53	-173.6	0	0	0	113	I267 H277 L279 F293 D298 L300	I267-L314 HydrophobicContact CD1-CD1 3.69Å; I267-L314 HydrophobicContact CD1-CD2 3.35Å; I267-L314 HydrophobicContact CD1-CG 4.17Å; H277-L314 PolarHBondContact CE1-O 3.33Å; H277-L314 VanDerWaalsContact CE1-O 3.31Å; L279-L314 HydrophobicContact CD1-CD2 4.11Å; F293-L314 HydrophobicContact CD1-CD1 3.92Å; F293-L314 HydrophobicContact CE1-CD1 3.58Å; D298-L314 WeakPolarHBondContact O-CB 3.49Å; D298-L314 PolarHBondContact O-N 2.88Å; L300-L314 HydrophobicContact CB-CD1 4.13Å; L300-L314 HydrophobicContact CB-CD2 4.33Å; L300-L314 HydrophobicContact CB-CG 4.44Å
315	T	84.4	Confident	65.5	Low	78 Å²	78	89.4 Å²	89.4	48%	0.479	47%	0.472	S	S	.	.	S	Bend	trans	-66.5	137.7	173	60.6	0	0	0	0	109.9	D298 C313 D317	D298-T315 HydrophobicContact CB-CG2 3.72Å; C313-T315 PolarHBondContact SG-OG1 3.29Å; T315-D317 PolarHBondContact O-N 2.78Å
316	K	63.3	Low	62.9	Low	154 Å²	154	92.8 Å²	92.8	67%	0.67	49%	0.488	S	S	*	.			trans	-76.4	117	169.8	-71	-179.4	-179	176	0	107.4	S318	K316-S318 PolarHBondContact O-N 3.05Å; K316-S318 PolarHBondContact O-OG 2.89Å
317	D	51.1	Low	60.4	Low	131 Å²	131	92.9 Å²	92.9	70%	0.701	50%	0.498	S	S	*	.			trans	-54.3	105.6	164.9	-76.7	-27.4	0	0	0	108.2	T315 L319	T315-D317 PolarHBondContact O-N 2.78Å; D317-L319 PolarHBondContact O-N 2.83Å
318	S	35.3	Very low	57.9	Low	121 Å²	121	95.3 Å²	95.3	85%	0.846	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	19.6	179.4	-56.2	0	0	0	0	111.9	K316	K316-S318 PolarHBondContact O-N 3.05Å; K316-S318 PolarHBondContact O-OG 2.89Å
319	L	31.1	Very low	55.5	Low	157 Å²	157	99.9 Å²	99.9	82%	0.822	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	12.8	-163.8	-80.4	155.8	0	0	0	115.4	D317 N321	D317-L319 PolarHBondContact O-N 2.83Å; L319-N321 PolarHBondContact O-N 3.24Å
320	T	30	Very low	53	Low	129 Å²	129	105.8 Å²	105.8	79%	0.791	60%	0.597	S	S	*	*			trans	-95.5	73.4	164.5	53.5	0	0	0	0	110.9	P322	T320-P322 VanDerWaalsContact O-CD 3.3Å; T320-P322 WeakPolarHBondContact O-CD 3.36Å
321	N	25.6	Very low	50.2	Low	126 Å²	126	110.6 Å²	110.6	67%	0.674	63%	0.631	S	S	*	*			trans	-82.4	110	152.3	-119.6	-18.6	0	0	0	106.4	L319 R323	L319-N321 PolarHBondContact O-N 3.24Å; N321-R323 PolarHBondContact O-N 3.04Å
322	P	30.6	Very low	47.6	Very low	126 Å²	126	118.2 Å²	118.2	82%	0.818	67%	0.672	S	S	*	*			trans	-76.2	79.2	167.6	31.7	-30.1	0	0	0	107.5	T320	T320-P322 VanDerWaalsContact O-CD 3.3Å; T320-P322 WeakPolarHBondContact O-CD 3.36Å
323	R	30.9	Very low	45	Very low	200 Å²	200	122.7 Å²	122.7	76%	0.755	70%	0.704	S	S	*	*			trans	-136.8	83.7	170.9	-73.1	-168.7	-173.4	173.1	3.2	110.1	N321	N321-R323 PolarHBondContact O-N 3.04Å
324	N	31.6	Very low	42.7	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	72%	0.723	S	S	*	*				169.5	88	129	-91.7	-11.9	0	0	0	109.6	Q326	N324-Q326 VanDerWaalsContact C-N 3.34Å
325	I	34.8	Very low	40.3	Very low	165 Å²	165	131.6 Å²	131.6	85%	0.846	75%	0.754	S	S	*	*			trans	-90.5	87.8	142.7	-60.2	174.6	0	0	0	104.2	I327	I325-I327 HydrophobicContact CG2-CG1 4.31Å
326	Q	36.7	Very low	38.2	Very low	163 Å²	163	132.9 Å²	132.9	76%	0.762	77%	0.765	S	S	*	*			trans	-104.2	107.7	158.9	-86.9	-171.7	-17.6	0	0	106.6	N324 G328	N324-Q326 VanDerWaalsContact C-N 3.34Å; Q326-G328 VanDerWaalsContact C-N 3.33Å; Q326-G328 PolarHBondContact O-N 2.68Å; Q326-G328 VanDerWaalsContact O-N 3.08Å
327	I	37.2	Very low	37.4	Very low	153 Å²	153	131.7 Å²	131.7	79%	0.785	78%	0.777	S	S	*	*			trans	-68.9	97.2	163.7	-63.8	165	0	0	0	105.3	I325	I325-I327 HydrophobicContact CG2-CG1 4.31Å
328	G	34.8	Very low	36.9	Very low	71 Å²	71	128.6 Å²	128.6	73%	0.732	78%	0.776	S	S	*	*			trans	-99	91.9	174.9	0	0	0	0	0	109.8	Q326	Q326-G328 VanDerWaalsContact C-N 3.33Å; Q326-G328 PolarHBondContact O-N 2.68Å; Q326-G328 VanDerWaalsContact O-N 3.08Å
329	S	43.4	Very low	37.4	Very low	108 Å²	108	130 Å²	130	76%	0.755	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67	130.6	164.5	-46.2	0	0	0	0	109.1	S331	S329-S331 PolarHBondContact O-N 2.91Å
330	S	41.4	Very low	38.2	Very low	125 Å²	125	129.5 Å²	129.5	87%	0.874	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-55.7	125.8	-178.6	-49.8	0	0	0	0	112.9
331	S	37.8	Very low	39.1	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75.9	136	172.4	44.6	0	0	0	0	112.9	S329	S329-S331 PolarHBondContact O-N 2.91Å
332	N	39.7	Very low	39.9	Very low	163 Å²	163	128.2 Å²	128.2	87%	0.872	77%	0.767	S	S	*	*			trans	-170.3	133.6	149.1	-86.9	-19.5	0	0	0	104
333	S	42	Very low	40.6	Very low	96 Å²	96	129.1 Å²	129.1	67%	0.671	77%	0.77	S	S	*	*			cis	-177.8	137.9	8.9	44.5	0	0	0	0	107.7
334	I	43.5	Very low	41.1	Very low	158 Å²	158	124.8 Å²	124.8	81%	0.81	77%	0.771	S	S	*	*			trans	75.1	135.8	140	-58.4	163.9	0	0	0	121.9
335	S	41.5	Very low	41.8	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	78%	0.778	S	S	*	*			trans	79	111.5	160.4	65.9	0	0	0	0	117.5
336	S	40.4	Very low	42.1	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	78%	0.777	S	S	*	*				90.5	133.7	51.2	72.5	0	0	0	0	113.9
337	S	45.7	Very low	42.5	Very low	129 Å²	129	125.3 Å²	125.3	90%	0.902	78%	0.784	S	S	*	*			trans	84.9	133.4	179.7	72.8	0	0	0	0	115.3
338	G	41.1	Very low	42.6	Very low	66 Å²	66	123.3 Å²	123.3	68%	0.68	78%	0.783	S	S	*	*			cis	177.6	155.5	-2.4	0	0	0	0	0	110.3
339	N	45	Very low	43.2	Very low	150 Å²	150	125.6 Å²	125.6	80%	0.802	79%	0.785	S	S	*	*			trans	68	126	150.8	-71.5	-6.4	0	0	0	123.2
340	N	47.9	Very low	43	Very low	148 Å²	148	128.1 Å²	128.1	79%	0.791	79%	0.785	S	S	*	*			trans	50.8	145.8	130.9	-72.4	-10.1	0	0	0	120.1
341	S	48.8	Very low	42.8	Very low	87 Å²	87	128.4 Å²	128.4	61%	0.608	78%	0.775	S	S	*	*			cis	178	154.1	5.5	42.5	0	0	0	0	107.1
342	N	43.8	Very low	42.7	Very low	141 Å²	141	128.5 Å²	128.5	75%	0.754	77%	0.772	S	S	*	*			trans	56.9	123.6	151.2	-58.8	-14.7	0	0	0	120.2
343	T	44.2	Very low	42.4	Very low	144 Å²	144	130.3 Å²	130.3	88%	0.883	77%	0.772	S	S	*	*				163.4	140.7	102.9	42.3	0	0	0	0	112
344	S	41.3	Very low	42.2	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	77%	0.774	S	S	*	*			trans	-74.3	149.7	175.3	48.9	0	0	0	0	113.9
345	S	47.8	Very low	41.9	Very low	123 Å²	123	128.7 Å²	128.7	86%	0.86	78%	0.775	S	S	*	*				175.6	150.9	129.7	44.5	0	0	0	0	113.5
346	N	40.2	Very low	41.5	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	78%	0.779	S	S	*	*			trans	-70.2	153.7	-173.1	-63.3	-43.8	0	0	0	114.6
347	H	44.6	Very low	41.2	Very low	195 Å²	195	133.6 Å²	133.6	90%	0.903	79%	0.793	S	S	*	*			trans	-164.8	135.2	133.9	-98.7	-58.6	0	0	0	112.2
348	S	40.4	Very low	40.6	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	78%	0.784	S	S	*	*			trans	-127.4	-171.7	170.4	-61	0	0	0	0	107.6
349	P	47.7	Very low	40.1	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	80%	0.797	S	S	*	*				-129.2	170.4	-62.8	35.6	-20	0	0	0	111.8
350	H	38.1	Very low	39.3	Very low	161 Å²	161	130.2 Å²	130.2	75%	0.745	79%	0.792	S	S	*	*			trans	-168.1	121.9	158.2	-158.7	-110.7	0	0	0	115.6
351	L	36.4	Very low	38.6	Very low	130 Å²	130	133.1 Å²	133.1	68%	0.681	80%	0.798	S	S	*	*			trans	46.2	149	141.1	-82.3	73.2	0	0	0	121.5
352	T	37.5	Very low	37.6	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	81%	0.813	S	S	*	*			cis	-161.7	149	33.8	39.2	0	0	0	0	113.1
353	K	33.5	Very low	37	Very low	201 Å²	201	135.4 Å²	135.4	87%	0.874	81%	0.809	S	S	*	*			trans	30.6	139.8	138.1	-63.3	177.7	177.5	175	0	119.8
354	S	37.8	Very low	36.3	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	81%	0.806	S	S	*	*			cis	-174.1	150.2	40.4	48.2	0	0	0	0	113.7
355	S	36.1	Very low	35.8	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	81%	0.81	S	S	*	*			trans	57.2	127.1	141.5	64.5	0	0	0	0	123.3
356	G	34.3	Very low	35	Very low	78 Å²	78	141 Å²	141	80%	0.804	81%	0.807	S	S	*	*			trans	153	81.8	149	0	0	0	0	0	115.9	G358	G356-G358 PolarHBondContact O-N 3.46Å
357	F	33.6	Very low	34.7	Very low	230 Å²	230	138.3 Å²	138.3	100%	1.009	79%	0.792	S	S	*	*			trans	-69.4	122.9	164	-99.6	-96.8	0	0	0	109.6
358	G	32.4	Very low	34.8	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	76%	0.761	S	S	*	*			trans	-151.9	95.7	175.8	0	0	0	0	0	110.4	G356 G360	G356-G358 PolarHBondContact O-N 3.46Å; G358-G360 PolarHBondContact O-N 2.91Å
359	S	31	Very low	35.5	Very low	137 Å²	137	130.8 Å²	130.8	96%	0.958	75%	0.754	S	S	*	*			trans	-61.5	107.2	168.9	36.6	0	0	0	0	110.1
360	G	28.3	Very low	36.2	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	74%	0.737	S	S	*	*			trans	-141.1	109.8	-173.3	0	0	0	0	0	113.3	G358	G358-G360 PolarHBondContact O-N 2.91Å
361	K	33.2	Very low	37.8	Very low	209 Å²	209	125.1 Å²	125.1	91%	0.909	73%	0.729	S	S	*	*			trans	41.6	104.6	151.5	-76.5	175.1	173.3	173	0	118.3	S363	K361-S363 PolarHBondContact O-N 3.41Å
362	L	27.3	Very low	39.7	Very low	177 Å²	177	120.4 Å²	120.4	93%	0.927	71%	0.707	S	S	*	*			trans	-51.3	107.5	152.2	-86	137.7	0	0	0	110.3	L364	L362-L364 PolarHBondContact O-N 3.21Å
363	S	30.9	Very low	41.7	Very low	98 Å²	98	119.3 Å²	119.3	69%	0.685	69%	0.694	S	S	*	*			trans	-78.6	100.6	168.9	178.3	0	0	0	0	108.8	K361 R365	K361-S363 PolarHBondContact O-N 3.41Å; S363-R365 PolarHBondContact O-N 3.31Å
364	L	30.6	Very low	44.4	Very low	153 Å²	153	109.8 Å²	109.8	80%	0.801	65%	0.653	S	S	*	*			trans	-76.8	93.5	165.2	-78.8	163.6	0	0	0	108.3	L362	L362-L364 PolarHBondContact O-N 3.21Å
365	R	30.1	Very low	47.1	Very low	228 Å²	228	112.5 Å²	112.5	86%	0.86	65%	0.647	S	S	*	*			trans	-129.1	95.6	166.6	-78.3	-168.4	178.8	-172.7	0.8	110.4	S363	S363-R365 PolarHBondContact O-N 3.31Å
366	S	31.6	Very low	49.8	Very low	114 Å²	114	107.1 Å²	107.1	80%	0.797	61%	0.609	S	S	*	*			trans	159.2	85.9	135.7	-174.7	0	0	0	0	108
367	L	32.9	Very low	52.6	Low	94 Å²	94	108 Å²	108	49%	0.492	60%	0.599	S	S	.	*			trans	-136.8	100.5	179.5	-80.2	-175.7	0	0	0	106.6
368	F	47.9	Very low	55.5	Low	56 Å²	56	97.6 Å²	97.6	25%	0.246	55%	0.554	C	S	.	*			trans	86.9	143.4	156.1	-45.7	-63.6	0	0	0	119.9	L276 H277 T370	L276-F368 VanDerWaalsContact O-CE1 3.28Å; L276-F368 WeakPolarHBondContact O-CE1 3.31Å; L276-F368 WeakPolarHBondContact O-CE2 3.22Å; L276-F368 WeakPolarHBondContact O-CZ 3.4Å; H277-F368 HydrophobicContact CB-CD2 4.25Å; H277-F368 HydrophobicContact CB-CE2 4.45Å; H277-F368 HydrophobicContact CB-CG 4.36Å; H277-F368 AromaticContact CE1-CD1 3.66Å; H277-F368 AromaticContact CE1-CE1 3.58Å; H277-F368 AromaticContact ND1-CD1 3.09Å; H277-F368 WeakPolarHBondContact ND1-CD1 3.34Å; H277-F368 AromaticContact ND1-CE1 3.32Å; H277-F368 VanDerWaalsContact ND1-CE1 3.32Å; H277-F368 WeakPolarHBondContact ND1-CE1 3.29Å; H277-F368 AromaticContact ND1-CG 3.63Å; F368-T370 PolarHBondContact O-N 2.8Å; F368-T370 VanDerWaalsContact O-N 3.09Å
369	S	54.1	Low	58.4	Low	91 Å²	91	99 Å²	99	64%	0.636	54%	0.542	S	S	*	.			trans	-57.2	110.2	155.6	-178.9	0	0	0	0	107.3	T371	S369-T371 VanDerWaalsContact C-N 3.33Å
370	T	62.6	Low	61.3	Low	67 Å²	67	93.1 Å²	93.1	41%	0.411	50%	0.5	S	S	.	.			trans	-83.4	-14.9	-172.2	52.4	0	0	0	0	112.6	R280 F368	R280-T370 WeakPolarHBondContact CB-O 3.37Å; R280-T370 PolarHBondContact N-O 3.2Å; R280-T370 VanDerWaalsContact N-O 3.1Å; F368-T370 PolarHBondContact O-N 2.8Å; F368-T370 VanDerWaalsContact O-N 3.09Å
371	T	71.6	Confident	64.3	Low	95 Å²	95	100 Å²	100	58%	0.583	51%	0.511	S	S	*	.	S	Bend	trans	-100.5	143.6	-174.8	51	0	0	0	0	111.4	S369	S369-T371 VanDerWaalsContact C-N 3.33Å
372	S	76.7	Confident	67.1	Low	31 Å²	31	93.9 Å²	93.9	22%	0.217	49%	0.485	C	S	.	.			trans	-61.5	138.2	176.5	56.8	0	0	0	0	111.5	H310 I311	H310-S372 PolarHBondContact ND1-OG 2.89Å; I311-S372 CarbonylContact O-C 3.55Å
373	H	79.8	Confident	70.3	Confident	90 Å²	90	89.9 Å²	89.9	42%	0.417	46%	0.46	S	S	.	.	S	Bend	trans	-68	-40.1	174	-178	54.6	0	0	0	111.7	I311 A412	I311-H373 PolarHBondContact O-N 3.21Å; H373-A412 PolarHBondContact CE1-O 2.64Å; H373-A412 PolarHBondContact NE2-O 3.05Å; H373-A412 VanDerWaalsContact NE2-O 3.07Å
374	V	90.1	Very high	73.4	Confident	1 Å²	1	85.4 Å²	85.4	1%	0.006	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.9	177.4	-169.1	0	0	0	0	109.3	H310 I311 F410 V416	H310-V374 WeakPolarHBondContact CA-O 3.4Å; I311-V374 HydrophobicContact CB-CB 3.94Å; I311-V374 HydrophobicContact CB-CG2 4.22Å; I311-V374 HydrophobicContact CD1-CB 4.12Å; I311-V374 HydrophobicContact CD1-CG1 4.41Å; I311-V374 HydrophobicContact CD1-CG2 4.39Å; I311-V374 HydrophobicContact CG1-CB 4.22Å; I311-V374 PolarHBondContact N-O 3.49Å; I311-V374 PolarHBondContact O-N 3.17Å; V374-F410 HydrophobicContact CG1-CB 4.02Å; V374-F410 HydrophobicContact CG2-CD2 4.09Å; V374-V416 HydrophobicContact CG1-CG2 3.27Å
375	R	93.2	Very high	76.6	Confident	159 Å²	159	78.1 Å²	78.1	60%	0.6	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	114	170	-178.8	-179.4	-179.4	147.7	-0.5	109
376	C	92.9	Very high	79.8	Confident	4 Å²	4	67.2 Å²	67.2	3%	0.027	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.3	173.6	175.8	0	0	0	0	109	T308 A309 V416	T308-C376 WeakPolarHBondContact CA-O 3.36Å; A309-C376 HydrophobicContact CB-CB 4.26Å; A309-C376 PolarHBondContact N-O 2.98Å; A309-C376 PolarHBondContact O-N 2.91Å; C376-V416 HydrophobicContact CB-CG1 4.13Å; C376-V416 HydrophobicContact CB-CG2 4.26Å
377	V	94.3	Very high	83	Confident	97 Å²	97	61.8 Å²	61.8	59%	0.588	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.2	168.9	179.9	0	0	0	0	107.2
378	L	94.5	Very high	86.1	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.063	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-81.6	131.2	-178.3	-55.3	-175.6	0	0	0	109.3	T303 G307 A309 T380 A384 V398 Y408	T303-L378 HydrophobicContact CG2-CD1 3.75Å; G307-L378 WeakPolarHBondContact O-CB 3.37Å; G307-L378 PolarHBondContact O-N 2.87Å; A309-L378 HydrophobicContact CB-CD2 4.12Å; L378-T380 HydrophobicContact CB-CG2 4.18Å; L378-T380 PolarHBondContact O-N 3.07Å; L378-A384 HydrophobicContact CD1-CB 4.01Å; L378-V398 HydrophobicContact CD1-CG1 4.17Å; L378-V398 HydrophobicContact CD2-CG1 4.12Å; L378-V398 HydrophobicContact CD2-CG2 3.87Å; L378-Y408 HydrophobicContact CD2-CE2 4.43Å
379	E	93	Very high	88.5	Confident	98 Å²	98	55.3 Å²	55.3	46%	0.458	28%	0.28	S	S	.	.	S	Bend	trans	-84.5	32.7	-178.1	-63.6	173.3	-167.3	0	0	112.9	Y406 R418	E379-Y406 HydrophobicContact CB-CE1 3.84Å; E379-Y406 PolarHBondContact O-OH 3.28Å; E379-R418 IonicContact OE1-NH1 3.78Å; E379-R418 WeakPolarHBondContact OE2-CD 3.22Å; E379-R418 IonicContact OE2-CZ 3.53Å; E379-R418 IonicContact OE2-NE 3.8Å; E379-R418 IonicContact OE2-NH1 2.6Å; E379-R418 PolarHBondContact OE2-NH1 3.34Å
380	T	91.3	Very high	90.4	Very high	14 Å²	14	53.4 Å²	53.4	9%	0.086	27%	0.267	C	S	.	.			trans	-126.7	145.6	175.9	176.5	0	0	0	0	110.3	L378 F382 A384 S400 Y406	L378-T380 HydrophobicContact CB-CG2 4.18Å; L378-T380 PolarHBondContact O-N 3.07Å; T380-F382 PolarHBondContact OG1-N 2.93Å; T380-A384 HydrophobicContact CG2-CB 4.17Å; T380-S400 PolarHBondContact OG1-OG 3.27Å; T380-Y406 HydrophobicContact CG2-CE2 4.47Å
381	K	91.1	Very high	91.9	Very high	212 Å²	212	54.7 Å²	54.7	92%	0.922	27%	0.274	S	S	*	.	S	Bend	trans	-89.2	-11	172.2	-63	179	-177.6	174.8	0	112.4
382	F	93	Very high	93	Very high	81 Å²	81	52.1 Å²	52.1	36%	0.355	26%	0.26	S	S	.	.	S	Bend	trans	-92.7	163.6	-176.4	-60.8	-87.3	0	0	0	111.1	D9 T380 A384 A401 D402	D9-F382 VanDerWaalsContact O-CD1 3.29Å; D9-F382 WeakPolarHBondContact O-CD1 3.44Å; T380-F382 PolarHBondContact OG1-N 2.93Å; F382-A384 PolarHBondContact O-N 3.05Å; F382-A401 HydrophobicContact CB-CB 4.28Å; F382-D402 HydrophobicContact CB-CB 4.41Å; F382-D402 HydrophobicContact CD1-CB 4.23Å; F382-D402 HydrophobicContact CD2-CB 3.44Å; F382-D402 VanDerWaalsContact CD2-CB 3.44Å; F382-D402 VanDerWaalsContact CD2-CG 3.41Å; F382-D402 WeakPolarHBondContact CD2-OD2 3.27Å; F382-D402 HydrophobicContact CE1-CB 4.35Å; F382-D402 HydrophobicContact CE2-CB 3.58Å; F382-D402 HydrophobicContact CG-CB 3.78Å; F382-D402 HydrophobicContact CZ-CB 4.04Å
383	K	93.7	Very high	93.8	Very high	92 Å²	92	54.3 Å²	54.3	40%	0.4	27%	0.274	S	S	.	.			trans	-60.3	137.9	173.9	-72.1	172.5	-178.3	158.2	0	109.4	M3 D9 S400 A401	M3-K383 HydrophobicContact SD-CB 4.26Å; D9-K383 IonicContact OD2-NZ 3.69Å; D9-K383 PolarHBondContact OD2-NZ 2.89Å; K383-S400 WeakPolarHBondContact O-CA 3.36Å; K383-A401 WeakPolarHBondContact O-CB 3.49Å; K383-A401 PolarHBondContact O-N 2.92Å
384	A	96.6	Very high	94.6	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.1	-179.7	0	0	0	0	0	112	T289 L378 T380 F382 V398 L399	T289-A384 VanDerWaalsContact CB-O 3.26Å; T289-A384 WeakPolarHBondContact CB-O 3.28Å; T289-A384 PolarHBondContact OG1-O 3.3Å; L378-A384 HydrophobicContact CD1-CB 4.01Å; T380-A384 HydrophobicContact CG2-CB 4.17Å; F382-A384 PolarHBondContact O-N 3.05Å; A384-V398 HydrophobicContact CB-CG1 3.83Å; A384-L399 CarbonylContact C-O 3.55Å; A384-L399 WeakPolarHBondContact CA-O 3.26Å; A384-L399 WeakPolarHBondContact CB-O 3.36Å
385	I	97.8	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.9	169.9	56.1	172.9	0	0	0	109.7	M1 M3 V18 F20 S290 L399	M1-I385 HydrophobicContact CE-CB 4.32Å; M3-I385 HydrophobicContact CB-CG2 3.92Å; M3-I385 HydrophobicContact CE-CG1 4.48Å; M3-I385 HydrophobicContact CG-CD1 4.47Å; M3-I385 HydrophobicContact CG-CG2 4.01Å; M3-I385 HydrophobicContact SD-CG2 4.03Å; V18-I385 HydrophobicContact CG1-CD1 4.24Å; F20-I385 HydrophobicContact CD2-CD1 3.74Å; F20-I385 HydrophobicContact CD2-CG1 4.26Å; F20-I385 HydrophobicContact CE2-CB 4.49Å; F20-I385 HydrophobicContact CE2-CD1 3.85Å; F20-I385 HydrophobicContact CE2-CG1 3.85Å; S290-I385 WeakPolarHBondContact OG-CA 3.34Å; I385-L399 HydrophobicContact CG1-CB 4.07Å; I385-L399 PolarHBondContact N-O 2.87Å; I385-L399 PolarHBondContact O-N 2.87Å
386	C	98.1	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.5	-177.3	-51.7	0	0	0	0	112.2	M1 S290 S292 T303 L396 I397	M1-C386 VanDerWaalsContact CE-O 3.29Å; M1-C386 WeakPolarHBondContact CE-O 2.84Å; S290-C386 PolarHBondContact OG-N 2.8Å; S292-C386 WeakPolarHBondContact CB-O 3.44Å; S292-C386 PolarHBondContact OG-O 3.14Å; T303-C386 WeakPolarHBondContact OG1-CB 3.4Å; T303-C386 PolarHBondContact OG1-SG 2.84Å; C386-L396 HydrophobicContact CB-CD1 3.95Å; C386-L396 HydrophobicContact CB-CD2 4.13Å; C386-L396 HydrophobicContact CB-CG 4.12Å; C386-I397 VanDerWaalsContact CA-O 3.25Å; C386-I397 WeakPolarHBondContact CA-O 3.48Å
387	A	98.1	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.1	173.6	0	0	0	0	0	110.6	M1 F20 Y24 I397	M1-A387 HydrophobicContact CE-CB 3.75Å; F20-A387 HydrophobicContact CD1-CB 4.13Å; F20-A387 HydrophobicContact CD2-CB 4.14Å; F20-A387 HydrophobicContact CE1-CB 3.9Å; F20-A387 HydrophobicContact CE2-CB 3.87Å; F20-A387 HydrophobicContact CG-CB 4.23Å; F20-A387 HydrophobicContact CZ-CB 3.75Å; Y24-A387 HydrophobicContact CD1-CB 3.86Å; Y24-A387 HydrophobicContact CD2-CB 3.91Å; Y24-A387 HydrophobicContact CE1-CB 4.31Å; Y24-A387 HydrophobicContact CE2-CB 4.36Å; Y24-A387 HydrophobicContact CG-CB 3.64Å; A387-I397 PolarHBondContact N-O 3.23Å; A387-I397 PolarHBondContact O-N 2.85Å
388	F	97.9	Very high	95.6	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	145.6	168.6	-63.9	-88.2	0	0	0	110.2	S292 N294 L299 C301 I311 T395 F410	S292-F388 WeakPolarHBondContact O-CE2 3.45Å; N294-F388 VanDerWaalsContact CA-CD2 3.46Å; N294-F388 HydrophobicContact CB-CB 4.25Å; N294-F388 HydrophobicContact CB-CD1 3.9Å; N294-F388 HydrophobicContact CB-CD2 3.56Å; N294-F388 HydrophobicContact CB-CE1 4.1Å; N294-F388 HydrophobicContact CB-CE2 3.76Å; N294-F388 HydrophobicContact CB-CG 3.63Å; N294-F388 HydrophobicContact CB-CZ 4.03Å; L299-F388 HydrophobicContact CB-CE1 4.11Å; L299-F388 HydrophobicContact CB-CE2 4.39Å; L299-F388 HydrophobicContact CB-CZ 3.64Å; L299-F388 HydrophobicContact CD1-CE1 3.99Å; L299-F388 HydrophobicContact CD1-CZ 4.36Å; C301-F388 HydrophobicContact CB-CD2 4.49Å; C301-F388 HydrophobicContact CB-CE2 3.71Å; C301-F388 HydrophobicContact CB-CZ 3.92Å; I311-F388 HydrophobicContact CD1-CE1 4.37Å; I311-F388 HydrophobicContact CG2-CE1 4.35Å; I311-F388 HydrophobicContact CG2-CZ 4.06Å; F388-T395 CarbonylContact C-O 3.51Å; F388-T395 WeakPolarHBondContact CA-O 3.5Å; F388-F410 HydrophobicContact CD1-CE1 4.22Å; F388-F410 HydrophobicContact CD1-CZ 4.19Å; F388-F410 HydrophobicContact CE1-CE1 4.03Å; F388-F410 AromaticContact CE1-CZ 3.78Å; F388-F410 HydrophobicContact CE1-CZ 3.78Å
389	S	97.5	Very high	95.7	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.063	22%	0.218	C	C	.	.			trans	-63.8	136.2	171.1	176.3	0	0	0	0	110	D41 V391 S392 T395	D41-S389 PolarHBondContact OD2-OG 2.79Å; S389-V391 PolarHBondContact O-N 3.03Å; S389-V391 VanDerWaalsContact OG-CG2 3.23Å; S389-V391 WeakPolarHBondContact OG-CG2 3.38Å; S389-V391 PolarHBondContact OG-N 2.89Å; S389-S392 PolarHBondContact OG-N 3.26Å; S389-T395 PolarHBondContact N-O 2.92Å
390	S	93.9	Very high	95.9	Very high	51 Å²	51	37.1 Å²	37.1	36%	0.357	20%	0.197	S	C	.	.	S	Bend	trans	-69	-17.8	176.6	55.2	0	0	0	0	113.2
391	V	94.8	Very high	96	Very high	93 Å²	93	36.5 Å²	36.5	56%	0.564	19%	0.193	S	C	*	.	S	Bend	trans	-109.4	-13.1	-176.5	-62.1	0	0	0	0	113.8	D41 S389	D41-V391 HydrophobicContact CB-CG2 4.05Å; D41-V391 WeakPolarHBondContact OD2-CG2 3.46Å; S389-V391 PolarHBondContact O-N 3.03Å; S389-V391 VanDerWaalsContact OG-CG2 3.23Å; S389-V391 WeakPolarHBondContact OG-CG2 3.38Å; S389-V391 PolarHBondContact OG-N 2.89Å
392	S	95.2	Very high	96.2	Very high	42 Å²	42	27.9 Å²	27.9	29%	0.294	16%	0.157	S	C	.	.			trans	-143	115.4	-178.1	-63	0	0	0	0	111	S389 D394 T395	S389-S392 PolarHBondContact OG-N 3.26Å; S392-D394 VanDerWaalsContact C-N 3.3Å; S392-D394 PolarHBondContact O-N 3.16Å; S392-T395 WeakPolarHBondContact CB-OG1 3.47Å; S392-T395 PolarHBondContact O-N 2.89Å
393	P	93.9	Very high	96.3	Very high	77 Å²	77	24 Å²	24	50%	0.5	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.8	-172.6	25.2	-34	0	0	0	113.5	T395 F410	P393-T395 VanDerWaalsContact C-N 3.27Å; P393-T395 PolarHBondContact O-N 2.96Å; P393-F410 WeakPolarHBondContact O-CZ 3.37Å
394	D	95.1	Very high	96.3	Very high	89 Å²	89	19.9 Å²	19.9	48%	0.476	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	20.6	-177.5	-60.6	-41.3	0	0	0	113.5	S392 T409 F410	S392-D394 VanDerWaalsContact C-N 3.3Å; S392-D394 PolarHBondContact O-N 3.16Å; D394-T409 CarbonylContact O-C 3.52Å; D394-T409 VanDerWaalsContact O-CA 3.29Å; D394-T409 WeakPolarHBondContact O-CA 3.29Å; D394-F410 WeakPolarHBondContact CB-O 3.21Å; D394-F410 VanDerWaalsContact O-CD1 3.27Å; D394-F410 WeakPolarHBondContact O-CD1 3.35Å; D394-F410 WeakPolarHBondContact O-CE1 3.48Å; D394-F410 PolarHBondContact O-N 3.39Å
395	T	97.4	Very high	96.4	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.9	-176	-66.3	0	0	0	0	110.4	F388 S389 S392 P393 I397 K407 Y408	F388-T395 CarbonylContact C-O 3.51Å; F388-T395 WeakPolarHBondContact CA-O 3.5Å; S389-T395 PolarHBondContact N-O 2.92Å; S392-T395 WeakPolarHBondContact CB-OG1 3.47Å; S392-T395 PolarHBondContact O-N 2.89Å; P393-T395 VanDerWaalsContact C-N 3.27Å; P393-T395 PolarHBondContact O-N 2.96Å; T395-I397 HydrophobicContact CG2-CD1 3.89Å; T395-K407 HydrophobicContact CG2-CD 4.24Å; T395-K407 HydrophobicContact CG2-CG 3.69Å; T395-Y408 CarbonylContact C-O 3.54Å; T395-Y408 VanDerWaalsContact CA-O 3.29Å; T395-Y408 WeakPolarHBondContact CA-O 3.42Å
396	L	97.6	Very high	96.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.7	173.5	-169.5	71.9	0	0	0	110.3	C301 A309 C386 V398 Y408	C301-L396 HydrophobicContact CB-CD1 4.1Å; C301-L396 VanDerWaalsContact SG-CD1 3.58Å; A309-L396 HydrophobicContact CB-CD2 4.01Å; C386-L396 HydrophobicContact CB-CD1 3.95Å; C386-L396 HydrophobicContact CB-CD2 4.13Å; C386-L396 HydrophobicContact CB-CG 4.12Å; L396-V398 HydrophobicContact CD2-CG2 4.44Å; L396-Y408 PolarHBondContact N-O 3.5Å; L396-Y408 PolarHBondContact O-N 2.88Å
397	I	98.3	Very high	96.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.8	172.5	-54.6	-49.3	0	0	0	109.1	F20 C386 A387 T395 L399 Y405 Y406 K407	F20-I397 HydrophobicContact CE1-CB 4.37Å; F20-I397 HydrophobicContact CE1-CG2 4.08Å; F20-I397 HydrophobicContact CZ-CB 4.35Å; F20-I397 HydrophobicContact CZ-CG2 4.09Å; C386-I397 VanDerWaalsContact CA-O 3.25Å; C386-I397 WeakPolarHBondContact CA-O 3.48Å; A387-I397 PolarHBondContact N-O 3.23Å; A387-I397 PolarHBondContact O-N 2.85Å; T395-I397 HydrophobicContact CG2-CD1 3.89Å; I397-L399 HydrophobicContact CG2-CD2 4.33Å; I397-Y405 WeakPolarHBondContact CD1-OH 3.48Å; I397-Y405 HydrophobicContact CG2-CD2 4.06Å; I397-Y405 HydrophobicContact CG2-CE2 3.44Å; I397-Y405 VanDerWaalsContact CG2-CE2 3.44Å; I397-Y406 WeakPolarHBondContact CA-O 3.19Å; I397-K407 HydrophobicContact CD1-CB 4.1Å; I397-K407 HydrophobicContact CD1-CD 4.38Å; I397-K407 HydrophobicContact CD1-CG 3.84Å
398	V	98.1	Very high	96.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.8	179.8	-174.3	0	0	0	0	109	L378 A384 L396 Y405 Y406 Y408	L378-V398 HydrophobicContact CD1-CG1 4.17Å; L378-V398 HydrophobicContact CD2-CG1 4.12Å; L378-V398 HydrophobicContact CD2-CG2 3.87Å; A384-V398 HydrophobicContact CB-CG1 3.83Å; L396-V398 HydrophobicContact CD2-CG2 4.44Å; V398-Y405 WeakPolarHBondContact O-CA 3.43Å; V398-Y406 HydrophobicContact CB-CD2 4.25Å; V398-Y406 HydrophobicContact CG1-CD2 4.31Å; V398-Y406 PolarHBondContact N-O 3.03Å; V398-Y406 PolarHBondContact O-N 3.08Å; V398-Y408 HydrophobicContact CG2-CD2 3.75Å; V398-Y408 HydrophobicContact CG2-CE2 3.83Å
399	L	97.7	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.1	173.7	-54.3	175.5	0	0	0	108.9	V18 F20 F27 A384 I385 I397 Y405 F424	V18-L399 HydrophobicContact CG1-CB 3.82Å; V18-L399 HydrophobicContact CG1-CD1 3.79Å; V18-L399 HydrophobicContact CG1-CG 4.44Å; F20-L399 HydrophobicContact CD1-CD1 4.25Å; F20-L399 HydrophobicContact CD2-CD1 4.11Å; F20-L399 HydrophobicContact CE1-CD1 3.77Å; F20-L399 HydrophobicContact CE1-CG 4.25Å; F20-L399 HydrophobicContact CE2-CD1 3.65Å; F20-L399 HydrophobicContact CE2-CG 4.04Å; F20-L399 HydrophobicContact CG-CD1 4.42Å; F20-L399 HydrophobicContact CZ-CD1 3.46Å; F20-L399 VanDerWaalsContact CZ-CD1 3.46Å; F20-L399 HydrophobicContact CZ-CG 3.64Å; F27-L399 HydrophobicContact CB-CD1 3.57Å; F27-L399 HydrophobicContact CD1-CD1 4.03Å; F27-L399 HydrophobicContact CD1-CD2 4.22Å; F27-L399 HydrophobicContact CD2-CD1 3.7Å; F27-L399 HydrophobicContact CD2-CD2 4.28Å; F27-L399 HydrophobicContact CE1-CD2 4.02Å; F27-L399 HydrophobicContact CE2-CD1 4.34Å; F27-L399 HydrophobicContact CE2-CD2 4.1Å; F27-L399 HydrophobicContact CG-CD1 3.5Å; F27-L399 HydrophobicContact CG-CD2 4.32Å; F27-L399 HydrophobicContact CZ-CD2 3.96Å; A384-L399 CarbonylContact C-O 3.55Å; A384-L399 WeakPolarHBondContact CA-O 3.26Å; A384-L399 WeakPolarHBondContact CB-O 3.36Å; I385-L399 HydrophobicContact CG1-CB 4.07Å; I385-L399 PolarHBondContact N-O 2.87Å; I385-L399 PolarHBondContact O-N 2.87Å; I397-L399 HydrophobicContact CG2-CD2 4.33Å; L399-Y405 HydrophobicContact CD2-CD2 3.64Å; L399-Y405 HydrophobicContact CD2-CE2 4.4Å; L399-F424 HydrophobicContact CD2-CE1 4.45Å
400	S	95.9	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.9	-175.5	177.5	0	0	0	0	111.3	T380 K383 D402 G403 S404	T380-S400 PolarHBondContact OG1-OG 3.27Å; K383-S400 WeakPolarHBondContact O-CA 3.36Å; S400-D402 WeakPolarHBondContact CB-OD1 3.45Å; S400-D402 PolarHBondContact O-N 2.94Å; S400-D402 PolarHBondContact OG-OD1 2.65Å; S400-G403 PolarHBondContact O-N 3.2Å; S400-S404 WeakPolarHBondContact CB-O 3.05Å; S400-S404 PolarHBondContact N-O 2.77Å
401	A	94.6	Very high	96.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13	-172.4	0	0	0	0	0	114.6	M3 V5 S13 F382 K383	M3-A401 HydrophobicContact CE-CB 3.95Å; M3-A401 HydrophobicContact SD-CB 4.45Å; V5-A401 HydrophobicContact CB-CB 4.44Å; V5-A401 HydrophobicContact CG1-CB 3.83Å; V5-A401 HydrophobicContact CG2-CB 3.71Å; S13-A401 PolarHBondContact OG-O 3.36Å; F382-A401 HydrophobicContact CB-CB 4.28Å; K383-A401 WeakPolarHBondContact O-CB 3.49Å; K383-A401 PolarHBondContact O-N 2.92Å
402	D	93.9	Very high	95.7	Very high	31 Å²	31	25.2 Å²	25.2	17%	0.166	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.6	177.4	64.3	-28.9	0	0	0	114.2	F382 S400 S404	F382-D402 HydrophobicContact CB-CB 4.41Å; F382-D402 HydrophobicContact CD1-CB 4.23Å; F382-D402 HydrophobicContact CD2-CB 3.44Å; F382-D402 VanDerWaalsContact CD2-CB 3.44Å; F382-D402 VanDerWaalsContact CD2-CG 3.41Å; F382-D402 WeakPolarHBondContact CD2-OD2 3.27Å; F382-D402 HydrophobicContact CE1-CB 4.35Å; F382-D402 HydrophobicContact CE2-CB 3.58Å; F382-D402 HydrophobicContact CG-CB 3.78Å; F382-D402 HydrophobicContact CZ-CB 4.04Å; S400-D402 WeakPolarHBondContact CB-OD1 3.45Å; S400-D402 PolarHBondContact O-N 2.94Å; S400-D402 PolarHBondContact OG-OD1 2.65Å; D402-S404 WeakPolarHBondContact OD1-CB 3.19Å; D402-S404 PolarHBondContact OD1-N 2.86Å; D402-S404 PolarHBondContact OD1-OG 2.81Å; D402-S404 PolarHBondContact OD2-OG 3.02Å
403	G	95.2	Very high	95.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	101	-0.5	-174.1	0	0	0	0	0	114.1	S400 N423 F424	S400-G403 PolarHBondContact O-N 3.2Å; G403-N423 CarbonylContact O-C 3.59Å; G403-N423 WeakPolarHBondContact O-CA 3.36Å; G403-N423 PolarHBondContact O-OD1 3.44Å; G403-F424 VanDerWaalsContact CA-CZ 3.44Å; G403-F424 WeakPolarHBondContact O-CD1 3.41Å; G403-F424 WeakPolarHBondContact O-CE1 3.28Å; G403-F424 WeakPolarHBondContact O-CG 3.49Å; G403-F424 PolarHBondContact O-N 3Å
404	S	95.6	Very high	95	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.2	-178.8	-62.7	0	0	0	0	112.3	S400 D402 Y406	S400-S404 WeakPolarHBondContact CB-O 3.05Å; S400-S404 PolarHBondContact N-O 2.77Å; D402-S404 WeakPolarHBondContact OD1-CB 3.19Å; D402-S404 PolarHBondContact OD1-N 2.86Å; D402-S404 PolarHBondContact OD1-OG 2.81Å; D402-S404 PolarHBondContact OD2-OG 3.02Å; S404-Y406 VanDerWaalsContact CB-CE2 3.48Å
405	Y	97.6	Very high	94.9	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.4	168.6	172.3	-82.9	0	0	0	109.4	F27 C40 L43 I397 V398 L399 K407 T420 F421 V422	F27-Y405 HydrophobicContact CE1-CD2 4.46Å; C40-Y405 WeakPolarHBondContact O-CE2 3.42Å; C40-Y405 PolarHBondContact O-OH 3.13Å; L43-Y405 HydrophobicContact CB-CE1 4.37Å; L43-Y405 HydrophobicContact CB-CE2 4.35Å; L43-Y405 HydrophobicContact CD1-CD2 3.94Å; L43-Y405 HydrophobicContact CD1-CE2 4.11Å; L43-Y405 HydrophobicContact CD1-CG 4.43Å; L43-Y405 HydrophobicContact CD2-CD1 3.9Å; L43-Y405 HydrophobicContact CD2-CD2 4.17Å; L43-Y405 HydrophobicContact CD2-CE1 4.33Å; L43-Y405 HydrophobicContact CD2-CG 3.84Å; I397-Y405 WeakPolarHBondContact CD1-OH 3.48Å; I397-Y405 HydrophobicContact CG2-CD2 4.06Å; I397-Y405 HydrophobicContact CG2-CE2 3.44Å; I397-Y405 VanDerWaalsContact CG2-CE2 3.44Å; V398-Y405 WeakPolarHBondContact O-CA 3.43Å; L399-Y405 HydrophobicContact CD2-CD2 3.64Å; L399-Y405 HydrophobicContact CD2-CE2 4.4Å; Y405-K407 HydrophobicContact CE1-CB 4.01Å; Y405-T420 HydrophobicContact CE1-CG2 4.37Å; Y405-F421 WeakPolarHBondContact O-CA 3.34Å; Y405-V422 WeakPolarHBondContact CB-O 3.49Å; Y405-V422 PolarHBondContact N-O 3.26Å; Y405-V422 PolarHBondContact O-N 3.34Å
406	Y	97.8	Very high	94.9	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.9	169.8	-52.1	-104.9	0	0	0	110.9	E379 T380 I397 V398 S404 Y408 T420 F421	E379-Y406 HydrophobicContact CB-CE1 3.84Å; E379-Y406 PolarHBondContact O-OH 3.28Å; T380-Y406 HydrophobicContact CG2-CE2 4.47Å; I397-Y406 WeakPolarHBondContact CA-O 3.19Å; V398-Y406 HydrophobicContact CB-CD2 4.25Å; V398-Y406 HydrophobicContact CG1-CD2 4.31Å; V398-Y406 PolarHBondContact N-O 3.03Å; V398-Y406 PolarHBondContact O-N 3.08Å; S404-Y406 VanDerWaalsContact CB-CE2 3.48Å; Y406-Y408 HydrophobicContact CD1-CE2 4.24Å; Y406-Y408 AromaticContact CG-CE2 3.96Å; Y406-Y408 HydrophobicContact CG-CE2 3.96Å; Y406-T420 WeakPolarHBondContact CA-O 3.43Å; Y406-F421 HydrophobicContact CD1-CB 4.21Å; Y406-F421 AromaticContact CD1-CD2 3.69Å; Y406-F421 HydrophobicContact CD1-CD2 3.69Å; Y406-F421 HydrophobicContact CD1-CG 4.37Å; Y406-F421 HydrophobicContact CE1-CB 4.37Å; Y406-F421 AromaticContact CE1-CD2 3.25Å; Y406-F421 HydrophobicContact CE1-CD2 3.25Å; Y406-F421 AromaticContact CE1-CE2 3.81Å; Y406-F421 HydrophobicContact CE1-CE2 3.81Å; Y406-F421 HydrophobicContact CE1-CG 4.1Å; Y406-F421 HydrophobicContact CE2-CD2 4.15Å; Y406-F421 HydrophobicContact CE2-CE2 4.24Å; Y406-F421 HydrophobicContact CG-CD2 4.29Å; Y406-F421 AromaticContact CZ-CD2 3.5Å; Y406-F421 VanDerWaalsContact CZ-CD2 3.5Å; Y406-F421 AromaticContact CZ-CE2 3.59Å; Y406-F421 WeakPolarHBondContact OH-CE2 3.34Å
407	K	97.7	Very high	94.8	Very high	37 Å²	37	31.2 Å²	31.2	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.2	166.7	-176.8	173.8	177.4	165.1	0	108.1	D41 T395 I397 Y405 V419 T420	D41-K407 VanDerWaalsContact CG-NZ 3.27Å; D41-K407 IonicContact OD1-NZ 2.71Å; D41-K407 PolarHBondContact OD1-NZ 2.74Å; D41-K407 WeakPolarHBondContact OD2-CE 3.39Å; D41-K407 IonicContact OD2-NZ 2.73Å; D41-K407 PolarHBondContact OD2-NZ 3.15Å; T395-K407 HydrophobicContact CG2-CD 4.24Å; T395-K407 HydrophobicContact CG2-CG 3.69Å; I397-K407 HydrophobicContact CD1-CB 4.1Å; I397-K407 HydrophobicContact CD1-CD 4.38Å; I397-K407 HydrophobicContact CD1-CG 3.84Å; Y405-K407 HydrophobicContact CE1-CB 4.01Å; K407-V419 HydrophobicContact CB-CB 4.5Å; K407-V419 HydrophobicContact CD-CG1 4.42Å; K407-V419 HydrophobicContact CG-CB 4.26Å; K407-V419 PolarHBondContact O-N 3.12Å; K407-T420 PolarHBondContact N-O 2.99Å; K407-T420 PolarHBondContact O-N 3.31Å
408	Y	97.9	Very high	94.8	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.1	172.7	-66.6	-84.8	0	0	0	109.6	L378 T395 L396 V398 Y406 V416 T417 R418	L378-Y408 HydrophobicContact CD2-CE2 4.43Å; T395-Y408 CarbonylContact C-O 3.54Å; T395-Y408 VanDerWaalsContact CA-O 3.29Å; T395-Y408 WeakPolarHBondContact CA-O 3.42Å; L396-Y408 PolarHBondContact N-O 3.5Å; L396-Y408 PolarHBondContact O-N 2.88Å; V398-Y408 HydrophobicContact CG2-CD2 3.75Å; V398-Y408 HydrophobicContact CG2-CE2 3.83Å; Y406-Y408 HydrophobicContact CD1-CE2 4.24Å; Y406-Y408 AromaticContact CG-CE2 3.96Å; Y406-Y408 HydrophobicContact CG-CE2 3.96Å; Y408-V416 HydrophobicContact CD1-CG1 3.77Å; Y408-V416 HydrophobicContact CG-CG1 4.17Å; Y408-T417 CarbonylContact C-O 3.53Å; Y408-T417 VanDerWaalsContact CA-O 3.27Å; Y408-T417 WeakPolarHBondContact CA-O 3.3Å; Y408-R418 HydrophobicContact CD1-CB 3.83Å; Y408-R418 HydrophobicContact CD1-CG 4.26Å; Y408-R418 HydrophobicContact CE1-CB 3.58Å; Y408-R418 HydrophobicContact CE1-CG 3.85Å
409	T	97.3	Very high	94.7	Very high	46 Å²	46	40.9 Å²	40.9	28%	0.282	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	151.6	160.8	50.3	0	0	0	0	109.3	D394 V416 T417 V419	D394-T409 CarbonylContact O-C 3.52Å; D394-T409 VanDerWaalsContact O-CA 3.29Å; D394-T409 WeakPolarHBondContact O-CA 3.29Å; T409-V416 WeakPolarHBondContact O-CA 3.34Å; T409-T417 PolarHBondContact N-O 2.88Å; T409-T417 PolarHBondContact O-N 3.43Å; T409-T417 PolarHBondContact OG1-O 2.85Å; T409-V419 HydrophobicContact CG2-CG2 3.58Å
410	F	95.6	Very high	94.6	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.9	172.3	61.3	-90.6	0	0	0	110.7	L299 I311 V374 F388 P393 D394 T415 V416	L299-F410 HydrophobicContact CD1-CE2 4.12Å; L299-F410 HydrophobicContact CD1-CZ 4.08Å; I311-F410 HydrophobicContact CD1-CD1 3.59Å; I311-F410 HydrophobicContact CD1-CD2 4.19Å; I311-F410 HydrophobicContact CD1-CE1 3.59Å; I311-F410 HydrophobicContact CD1-CE2 4.2Å; I311-F410 HydrophobicContact CD1-CG 3.91Å; I311-F410 HydrophobicContact CD1-CZ 3.91Å; V374-F410 HydrophobicContact CG1-CB 4.02Å; V374-F410 HydrophobicContact CG2-CD2 4.09Å; F388-F410 HydrophobicContact CD1-CE1 4.22Å; F388-F410 HydrophobicContact CD1-CZ 4.19Å; F388-F410 HydrophobicContact CE1-CE1 4.03Å; F388-F410 AromaticContact CE1-CZ 3.78Å; F388-F410 HydrophobicContact CE1-CZ 3.78Å; P393-F410 WeakPolarHBondContact O-CZ 3.37Å; D394-F410 WeakPolarHBondContact CB-O 3.21Å; D394-F410 VanDerWaalsContact O-CD1 3.27Å; D394-F410 WeakPolarHBondContact O-CD1 3.35Å; D394-F410 WeakPolarHBondContact O-CE1 3.48Å; D394-F410 PolarHBondContact O-N 3.39Å; F410-T415 CarbonylContact C-O 2.89Å; F410-T415 WeakPolarHBondContact CA-O 3.27Å; F410-V416 HydrophobicContact CB-CG2 4.27Å
411	T	92.4	Very high	94.7	Very high	66 Å²	66	48.3 Å²	48.3	41%	0.405	27%	0.274	S	S	.	.			trans	-116.3	162.1	178.4	51.8	0	0	0	0	110.4	N413 G414 T415	T411-N413 PolarHBondContact O-N 3.04Å; T411-N413 PolarHBondContact OG1-OD1 3.27Å; T411-G414 PolarHBondContact O-N 3.49Å; T411-T415 PolarHBondContact N-O 3.25Å; T411-T415 VanDerWaalsContact OG1-CB 3.28Å; T411-T415 WeakPolarHBondContact OG1-CB 3.5Å; T411-T415 PolarHBondContact OG1-N 2.85Å; T411-T415 PolarHBondContact OG1-O 3.18Å
412	A	85.4	Confident	94.7	Very high	87 Å²	87	50.6 Å²	50.6	72%	0.719	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.4	176.9	0	0	0	0	0	114.6	H373	H373-A412 PolarHBondContact CE1-O 2.64Å; H373-A412 PolarHBondContact NE2-O 3.05Å; H373-A412 VanDerWaalsContact NE2-O 3.07Å
413	N	86.1	Confident	94.7	Very high	126 Å²	126	51.1 Å²	51.1	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	4.5	171.7	72.5	-1.7	0	0	0	113.1	T411 T415	T411-N413 PolarHBondContact O-N 3.04Å; T411-N413 PolarHBondContact OG1-OD1 3.27Å; N413-T415 WeakPolarHBondContact OD1-CB 3.45Å; N413-T415 PolarHBondContact OD1-N 2.55Å; N413-T415 VanDerWaalsContact OD1-N 3.14Å; N413-T415 PolarHBondContact OD1-OG1 2.83Å
414	G	88.7	Confident	94.7	Very high	24 Å²	24	51.1 Å²	51.1	25%	0.247	29%	0.291	C	S	.	.	S	Bend	trans	84.6	7.4	179.2	0	0	0	0	0	115.5	T411	T411-G414 PolarHBondContact O-N 3.49Å
415	T	92.9	Very high	94.5	Very high	73 Å²	73	52 Å²	52	45%	0.448	30%	0.295	S	S	.	.			trans	-71.9	136	173.9	-53.7	0	0	0	0	109.5	F410 T411 N413	F410-T415 CarbonylContact C-O 2.89Å; F410-T415 WeakPolarHBondContact CA-O 3.27Å; T411-T415 PolarHBondContact N-O 3.25Å; T411-T415 VanDerWaalsContact OG1-CB 3.28Å; T411-T415 WeakPolarHBondContact OG1-CB 3.5Å; T411-T415 PolarHBondContact OG1-N 2.85Å; T411-T415 PolarHBondContact OG1-O 3.18Å; N413-T415 WeakPolarHBondContact OD1-CB 3.45Å; N413-T415 PolarHBondContact OD1-N 2.55Å; N413-T415 VanDerWaalsContact OD1-N 3.14Å; N413-T415 PolarHBondContact OD1-OG1 2.83Å
416	V	96.5	Very high	94	Very high	43 Å²	43	56.4 Å²	56.4	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.8	178.2	-177.7	0	0	0	0	109	V374 C376 Y408 T409 F410	V374-V416 HydrophobicContact CG1-CG2 3.27Å; C376-V416 HydrophobicContact CB-CG1 4.13Å; C376-V416 HydrophobicContact CB-CG2 4.26Å; Y408-V416 HydrophobicContact CD1-CG1 3.77Å; Y408-V416 HydrophobicContact CG-CG1 4.17Å; T409-V416 WeakPolarHBondContact O-CA 3.34Å; F410-V416 HydrophobicContact CB-CG2 4.27Å
417	T	96.8	Very high	92.8	Very high	78 Å²	78	59.1 Å²	59.1	48%	0.479	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.1	179.3	-57.5	0	0	0	0	110.1	Y408 T409 V419	Y408-T417 CarbonylContact C-O 3.53Å; Y408-T417 VanDerWaalsContact CA-O 3.27Å; Y408-T417 WeakPolarHBondContact CA-O 3.3Å; T409-T417 PolarHBondContact N-O 2.88Å; T409-T417 PolarHBondContact O-N 3.43Å; T409-T417 PolarHBondContact OG1-O 2.85Å; T417-V419 PolarHBondContact O-N 2.83Å
418	R	97.2	Very high	90.9	Very high	128 Å²	128	66.1 Å²	66.1	48%	0.483	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	117	172.6	-169.9	-173.3	67.7	-167.6	-0.9	109.1	E379 Y408	E379-R418 IonicContact OE1-NH1 3.78Å; E379-R418 WeakPolarHBondContact OE2-CD 3.22Å; E379-R418 IonicContact OE2-CZ 3.53Å; E379-R418 IonicContact OE2-NE 3.8Å; E379-R418 IonicContact OE2-NH1 2.6Å; E379-R418 PolarHBondContact OE2-NH1 3.34Å; Y408-R418 HydrophobicContact CD1-CB 3.83Å; Y408-R418 HydrophobicContact CD1-CG 4.26Å; Y408-R418 HydrophobicContact CE1-CB 3.58Å; Y408-R418 HydrophobicContact CE1-CG 3.85Å
419	V	96.8	Very high	88.5	Confident	76 Å²	76	70.5 Å²	70.5	46%	0.461	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-38.7	177.8	179.6	0	0	0	0	111.3	K407 T409 T417	K407-V419 HydrophobicContact CB-CB 4.5Å; K407-V419 HydrophobicContact CD-CG1 4.42Å; K407-V419 HydrophobicContact CG-CB 4.26Å; K407-V419 PolarHBondContact O-N 3.12Å; T409-V419 HydrophobicContact CG2-CG2 3.58Å; T417-V419 PolarHBondContact O-N 2.83Å
420	T	95.9	Very high	86.1	Confident	51 Å²	51	75.7 Å²	75.7	31%	0.313	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.2	-175.2	-50	0	0	0	0	110.6	Y405 Y406 K407 V422	Y405-T420 HydrophobicContact CE1-CG2 4.37Å; Y406-T420 WeakPolarHBondContact CA-O 3.43Å; K407-T420 PolarHBondContact N-O 2.99Å; K407-T420 PolarHBondContact O-N 3.31Å; T420-V422 HydrophobicContact CG2-CG2 3.86Å
421	F	96.2	Very high	83.7	Confident	105 Å²	105	83 Å²	83	46%	0.461	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.4	165.2	165.5	-104.8	0	0	0	108.2	Y405 Y406	Y405-F421 WeakPolarHBondContact O-CA 3.34Å; Y406-F421 HydrophobicContact CD1-CB 4.21Å; Y406-F421 AromaticContact CD1-CD2 3.69Å; Y406-F421 HydrophobicContact CD1-CD2 3.69Å; Y406-F421 HydrophobicContact CD1-CG 4.37Å; Y406-F421 HydrophobicContact CE1-CB 4.37Å; Y406-F421 AromaticContact CE1-CD2 3.25Å; Y406-F421 HydrophobicContact CE1-CD2 3.25Å; Y406-F421 AromaticContact CE1-CE2 3.81Å; Y406-F421 HydrophobicContact CE1-CE2 3.81Å; Y406-F421 HydrophobicContact CE1-CG 4.1Å; Y406-F421 HydrophobicContact CE2-CD2 4.15Å; Y406-F421 HydrophobicContact CE2-CE2 4.24Å; Y406-F421 HydrophobicContact CG-CD2 4.29Å; Y406-F421 AromaticContact CZ-CD2 3.5Å; Y406-F421 VanDerWaalsContact CZ-CD2 3.5Å; Y406-F421 AromaticContact CZ-CE2 3.59Å; Y406-F421 WeakPolarHBondContact OH-CE2 3.34Å
422	V	95.3	Very high	81.2	Confident	48 Å²	48	86.1 Å²	86.1	29%	0.291	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.6	177.6	176	0	0	0	0	107.9	L43 Y405 T420 F427	L43-V422 HydrophobicContact CD2-CB 3.91Å; L43-V422 HydrophobicContact CD2-CG1 3.88Å; L43-V422 HydrophobicContact CD2-CG2 4.36Å; Y405-V422 WeakPolarHBondContact CB-O 3.49Å; Y405-V422 PolarHBondContact N-O 3.26Å; Y405-V422 PolarHBondContact O-N 3.34Å; T420-V422 HydrophobicContact CG2-CG2 3.86Å; V422-F427 HydrophobicContact CG1-CE2 4.24Å; V422-F427 HydrophobicContact CG1-CZ 4.19Å
423	N	95	Very high	78.8	Confident	43 Å²	43	88.3 Å²	88.3	23%	0.23	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	112.2	160.9	-175.5	-28.1	0	0	0	108.2	G403 L425 D426	G403-N423 CarbonylContact O-C 3.59Å; G403-N423 WeakPolarHBondContact O-CA 3.36Å; G403-N423 PolarHBondContact O-OD1 3.44Å; N423-L425 PolarHBondContact O-N 3.14Å; N423-L425 VanDerWaalsContact O-N 3.16Å; N423-L425 WeakPolarHBondContact OD1-CB 3.15Å; N423-L425 PolarHBondContact OD1-N 2.84Å; N423-D426 HydrophobicContact CB-CB 4.41Å; N423-D426 VanDerWaalsContact CB-OD2 3.3Å; N423-D426 WeakPolarHBondContact CB-OD2 3.29Å; N423-D426 PolarHBondContact O-N 2.55Å
424	F	93.9	Very high	76.4	Confident	0 Å²	0	95.8 Å²	95.8	0%	0	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-1.6	-174.5	61.4	-107.6	0	0	0	113.7	I15 F27 V29 F38 L43 L399 G403 F427	I15-F424 HydrophobicContact CD1-CE2 3.95Å; I15-F424 HydrophobicContact CD1-CZ 3.91Å; F27-F424 HydrophobicContact CE2-CD1 4.23Å; F27-F424 HydrophobicContact CE2-CD2 4.25Å; F27-F424 HydrophobicContact CE2-CE1 4.37Å; F27-F424 HydrophobicContact CE2-CE2 4.42Å; F27-F424 HydrophobicContact CE2-CG 4.16Å; F27-F424 HydrophobicContact CE2-CZ 4.46Å; F27-F424 HydrophobicContact CZ-CB 4.36Å; F27-F424 HydrophobicContact CZ-CD1 4.27Å; F27-F424 HydrophobicContact CZ-CG 4.18Å; V29-F424 HydrophobicContact CG1-CE2 4.22Å; V29-F424 HydrophobicContact CG2-CD2 4.28Å; V29-F424 HydrophobicContact CG2-CE2 3.63Å; V29-F424 HydrophobicContact CG2-CZ 4.14Å; F38-F424 HydrophobicContact CE1-CB 4.23Å; F38-F424 WeakPolarHBondContact CE1-O 3.38Å; F38-F424 HydrophobicContact CE2-CD2 4.06Å; F38-F424 HydrophobicContact CZ-CB 4.36Å; F38-F424 HydrophobicContact CZ-CD2 4.04Å; F38-F424 VanDerWaalsContact CZ-O 3.23Å; F38-F424 WeakPolarHBondContact CZ-O 3.36Å; L43-F424 HydrophobicContact CD1-CB 4.48Å; L43-F424 HydrophobicContact CD2-CB 4.45Å; L399-F424 HydrophobicContact CD2-CE1 4.45Å; G403-F424 VanDerWaalsContact CA-CZ 3.44Å; G403-F424 WeakPolarHBondContact O-CD1 3.41Å; G403-F424 WeakPolarHBondContact O-CE1 3.28Å; G403-F424 WeakPolarHBondContact O-CG 3.49Å; G403-F424 PolarHBondContact O-N 3Å; F424-F427 HydrophobicContact CB-CE2 4.19Å; F424-F427 WeakPolarHBondContact O-CD2 3.39Å
425	L	91.3	Very high	75.7	Confident	23 Å²	23	99.4 Å²	99.4	12%	0.12	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-22.4	171.7	-60.9	-178.4	0	0	0	112.9	I15 M31 R36 N423 F427	I15-L425 HydrophobicContact CD1-CD1 3.89Å; I15-L425 HydrophobicContact CD1-CD2 4.45Å; I15-L425 HydrophobicContact CD1-CG 4.38Å; I15-L425 HydrophobicContact CG1-CD1 4.06Å; M31-L425 HydrophobicContact CE-CD2 3.97Å; M31-L425 HydrophobicContact SD-CD2 4.38Å; R36-L425 PolarHBondContact NH1-O 2.8Å; R36-L425 VanDerWaalsContact NH1-O 3.14Å; N423-L425 PolarHBondContact O-N 3.14Å; N423-L425 VanDerWaalsContact O-N 3.16Å; N423-L425 WeakPolarHBondContact OD1-CB 3.15Å; N423-L425 PolarHBondContact OD1-N 2.84Å; L425-F427 PolarHBondContact O-N 3.41Å
426	D	88.1	Confident	74.8	Confident	97 Å²	97	100.8 Å²	100.8	52%	0.519	50%	0.502	S	S	.	.			trans	-80.1	5.9	-176	-66.3	-19.6	0	0	0	113.4	N423 Y428	N423-D426 HydrophobicContact CB-CB 4.41Å; N423-D426 VanDerWaalsContact CB-OD2 3.3Å; N423-D426 WeakPolarHBondContact CB-OD2 3.29Å; N423-D426 PolarHBondContact O-N 2.55Å; D426-Y428 WeakPolarHBondContact O-CD2 3.33Å; D426-Y428 PolarHBondContact O-N 3.39Å
427	F	71.7	Confident	73.6	Confident	70 Å²	70	104 Å²	104	31%	0.307	52%	0.516	S	S	.	.			trans	-66.2	88.2	164.8	-68.9	-77.6	0	0	0	108.4	F38 L43 V422 F424 L425	F38-F427 AromaticContact CE1-CD2 3.96Å; F38-F427 HydrophobicContact CE1-CD2 3.96Å; F38-F427 HydrophobicContact CE1-CE2 4.26Å; L43-F427 HydrophobicContact CD2-CE2 3.81Å; L43-F427 HydrophobicContact CD2-CZ 3.77Å; L43-F427 HydrophobicContact CG-CE2 3.97Å; L43-F427 HydrophobicContact CG-CZ 3.85Å; V422-F427 HydrophobicContact CG1-CE2 4.24Å; V422-F427 HydrophobicContact CG1-CZ 4.19Å; F424-F427 HydrophobicContact CB-CE2 4.19Å; F424-F427 WeakPolarHBondContact O-CD2 3.39Å; L425-F427 PolarHBondContact O-N 3.41Å
428	Y	57.5	Low	72.3	Confident	183 Å²	183	105.5 Å²	105.5	72%	0.718	52%	0.518	S	S	*	.			trans	-78.4	140.1	162.2	-70.5	-83.6	0	0	0	108.1	D426 D430	D426-Y428 WeakPolarHBondContact O-CD2 3.33Å; D426-Y428 PolarHBondContact O-N 3.39Å; Y428-D430 PolarHBondContact O-N 2.6Å
429	D	48.5	Very low	70.7	Confident	100 Å²	100	104.1 Å²	104.1	54%	0.535	52%	0.52	S	S	.	.			trans	-63.2	94.8	-178.1	-59.7	-59.7	0	0	0	109.7	R48 E431	R48-D429 IonicContact NH1-OD2 3.21Å; R48-D429 PolarHBondContact NH1-OD2 2.88Å; D429-E431 PolarHBondContact O-N 3.07Å
430	D	47.3	Very low	69	Low	154 Å²	154	106 Å²	106	82%	0.824	52%	0.524	S	S	*	.			trans	-71.6	21.9	165.9	-79	-25.2	0	0	0	111.8	Y428	Y428-D430 PolarHBondContact O-N 2.6Å
431	E	45.1	Very low	67	Low	167 Å²	167	109.9 Å²	109.9	78%	0.78	54%	0.539	S	S	*	.			trans	-116.3	48.6	-178.1	-72.9	-85.9	169.7	0	0	111	D429	D429-E431 PolarHBondContact O-N 3.07Å
432	T	38.5	Very low	64.8	Low	132 Å²	132	110.3 Å²	110.3	81%	0.81	55%	0.545	S	S	*	.			trans	-102.5	13.3	158.1	48.9	0	0	0	0	113.6
433	D	35	Very low	62.3	Low	133 Å²	133	115.5 Å²	115.5	71%	0.711	57%	0.567	S	S	*	*			trans	-106.8	82	171.6	-74.9	-19.3	0	0	0	109.7
434	F	35.3	Very low	59.3	Low	284 Å²	284	122.1 Å²	122.1	100%	1.246	60%	0.597	S	S	*	*			trans	-178.6	0	140.5	-91.7	-62.2	0	0	0	112.3

Retrieved 434 of 434 residues in 484.4 ms (Link to these results)

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