A0A077Z1V7_TRITR Loading...

Kelch 4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1V7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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	40.9	Very low	73.2	Confident	240 Å²	240	109.1 Å²	109.1	100%	1.182	59%	0.593	S	S	*	*				0	119.5	0	-73.3	176.8	-173.3	0	0	106.9
2	S	53.8	Low	75	Confident	66 Å²	66	101.8 Å²	101.8	46%	0.462	56%	0.555	S	S	.	*			trans	-87.2	111.1	177.2	-139.6	0	0	0	0	107.6	T4 P53	S2-T4 PolarHBondContact O-N 3.37Å; S2-P53 WeakPolarHBondContact OG-CB 3.32Å; S2-P53 WeakPolarHBondContact OG-CG 3.46Å
3	T	55.7	Low	76.6	Confident	92 Å²	92	102.7 Å²	102.7	56%	0.564	55%	0.553	S	S	*	*			trans	-84.4	108.7	-178.2	42.6	0	0	0	0	109.9	F5	T3-F5 WeakPolarHBondContact O-CD2 3.42Å; T3-F5 WeakPolarHBondContact O-CE2 3.43Å; T3-F5 WeakPolarHBondContact OG1-CE2 3.26Å
4	T	66.6	Low	78	Confident	74 Å²	74	99.1 Å²	99.1	45%	0.454	53%	0.531	S	S	.	.			trans	-79.6	133.7	164.5	20.8	0	0	0	0	109.5	S2 I50 L52 P53	S2-T4 PolarHBondContact O-N 3.37Å; T4-I50 HydrophobicContact CG2-CD1 3.97Å; T4-L52 HydrophobicContact CG2-CD2 4.1Å; T4-P53 HydrophobicContact CG2-CG 4.43Å
5	F	75.1	Confident	79.3	Confident	128 Å²	128	97.8 Å²	97.8	56%	0.561	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.9	-179.8	-63.3	-82.5	0	0	0	110.2	T3 C7 I50 I51	T3-F5 WeakPolarHBondContact O-CD2 3.42Å; T3-F5 WeakPolarHBondContact O-CE2 3.43Å; T3-F5 WeakPolarHBondContact OG1-CE2 3.26Å; F5-C7 PolarHBondContact O-N 2.83Å; F5-I50 VanDerWaalsContact O-CA 3.23Å; F5-I50 WeakPolarHBondContact O-CA 3.36Å; F5-I51 PolarHBondContact O-N 3.27Å
6	L	78.9	Confident	80.5	Confident	144 Å²	144	92 Å²	92	75%	0.754	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	131	163.7	-111.2	140.2	0	0	0	109	H48	L6-H48 HydrophobicContact CD2-CB 3.98Å
7	C	81.1	Confident	81.5	Confident	35 Å²	35	90.5 Å²	90.5	24%	0.236	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	169.5	179	67.5	0	0	0	0	111.4	F5 W49 I51	F5-C7 PolarHBondContact O-N 2.83Å; C7-W49 PolarHBondContact N-O 3.46Å; C7-W49 WeakPolarHBondContact SG-CB 3.39Å; C7-I51 HydrophobicContact CB-CD1 4.27Å; C7-I51 HydrophobicContact CB-CG1 4.1Å
8	R	85.1	Confident	82.4	Confident	229 Å²	229	86.4 Å²	86.4	86%	0.864	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-77.1	164.5	168.8	-66.7	-174.2	179.3	-166	-0.3	109.5
9	S	86.1	Confident	83	Confident	82 Å²	82	85 Å²	85	57%	0.573	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-48.7	128.3	168.2	-170.5	0	0	0	0	109.9	A11	S9-A11 PolarHBondContact O-N 2.63Å
10	P	88.7	Confident	83.6	Confident	21 Å²	21	83.5 Å²	83.5	14%	0.136	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-70.4	127.2	-176.6	28.8	-34.2	0	0	0	109.9	V12 L26 F41 W49	P10-V12 VanDerWaalsContact C-N 3.33Å; P10-V12 HydrophobicContact CB-CG2 4.05Å; P10-V12 PolarHBondContact O-N 3.34Å; P10-L26 HydrophobicContact CG-CD1 3.83Å; P10-F41 HydrophobicContact CB-CD1 3.91Å; P10-F41 HydrophobicContact CB-CD2 4.06Å; P10-F41 HydrophobicContact CB-CE1 3.74Å; P10-F41 HydrophobicContact CB-CE2 3.89Å; P10-F41 HydrophobicContact CB-CG 4.07Å; P10-F41 HydrophobicContact CB-CZ 3.74Å; P10-F41 HydrophobicContact CG-CB 4.4Å; P10-F41 HydrophobicContact CG-CD1 4.07Å; P10-F41 HydrophobicContact CG-CD2 4.15Å; P10-F41 HydrophobicContact CG-CE1 4.42Å; P10-F41 HydrophobicContact CG-CE2 4.48Å; P10-F41 HydrophobicContact CG-CG 3.94Å; P10-W49 HydrophobicContact CG-CE3 4.26Å; P10-W49 HydrophobicContact CG-CH2 4.43Å; P10-W49 HydrophobicContact CG-CZ3 4.17Å
11	A	92.9	Very high	83.9	Confident	89 Å²	89	82.6 Å²	82.6	74%	0.736	47%	0.466	S	S	*	.			trans	-90.3	72.1	176.9	0	0	0	0	0	109.5	S9	S9-A11 PolarHBondContact O-N 2.63Å
12	V	95	Very high	86.2	Confident	22 Å²	22	75.2 Å²	75.2	13%	0.133	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.8	-178	-65.6	0	0	0	0	111.4	P10 F15 A30 R31 I37	P10-V12 VanDerWaalsContact C-N 3.33Å; P10-V12 HydrophobicContact CB-CG2 4.05Å; P10-V12 PolarHBondContact O-N 3.34Å; V12-F15 HydrophobicContact CG2-CB 4.37Å; V12-F15 HydrophobicContact CG2-CD1 3.83Å; V12-F15 HydrophobicContact CG2-CG 4.42Å; V12-F15 VanDerWaalsContact O-CD1 3.29Å; V12-F15 WeakPolarHBondContact O-CD1 3.39Å; V12-F15 VanDerWaalsContact O-CE1 3.26Å; V12-F15 WeakPolarHBondContact O-CE1 3.44Å; V12-A30 CarbonylContact C-O 3.52Å; V12-A30 WeakPolarHBondContact CA-O 3.43Å; V12-R31 HydrophobicContact CG1-CG 3.94Å; V12-I37 HydrophobicContact CG1-CD1 3.68Å; V12-I37 HydrophobicContact CG1-CG1 4.24Å
13	E	95.9	Very high	88.2	Confident	113 Å²	113	74.2 Å²	74.2	53%	0.528	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	166.7	173.6	59.2	171.2	-140.5	0	0	111	F15 G29 A30	E13-F15 PolarHBondContact O-N 2.86Å; E13-G29 CarbonylContact O-C 3.56Å; E13-G29 WeakPolarHBondContact O-CA 3.42Å; E13-A30 HydrophobicContact CG-CB 4.23Å; E13-A30 PolarHBondContact N-O 3.48Å; E13-A30 PolarHBondContact O-N 3.37Å
14	Q	96.5	Very high	90.1	Very high	52 Å²	52	72.3 Å²	72.3	24%	0.243	41%	0.41	C	S	.	.	S	Bend	trans	58	21	175	-49	174.5	34.3	0	0	114.3	V63 E64	Q14-V63 HydrophobicContact CB-CB 3.87Å; Q14-V63 HydrophobicContact CB-CG1 4.19Å; Q14-E64 HydrophobicContact CB-CG 4.04Å; Q14-E64 HydrophobicContact CG-CG 4.49Å; Q14-E64 PolarHBondContact O-N 2.78Å
15	F	97.5	Very high	91.6	Very high	80 Å²	80	69 Å²	69	35%	0.351	39%	0.39	S	S	.	.			trans	-72.2	153.9	176	54.5	-97.7	0	0	0	110.9	V12 E13 L26	V12-F15 HydrophobicContact CG2-CB 4.37Å; V12-F15 HydrophobicContact CG2-CD1 3.83Å; V12-F15 HydrophobicContact CG2-CG 4.42Å; V12-F15 VanDerWaalsContact O-CD1 3.29Å; V12-F15 WeakPolarHBondContact O-CD1 3.39Å; V12-F15 VanDerWaalsContact O-CE1 3.26Å; V12-F15 WeakPolarHBondContact O-CE1 3.44Å; E13-F15 PolarHBondContact O-N 2.86Å; F15-L26 HydrophobicContact CD2-CB 4.24Å; F15-L26 HydrophobicContact CD2-CD1 4.21Å; F15-L26 HydrophobicContact CD2-CD2 3.52Å; F15-L26 HydrophobicContact CD2-CG 4.2Å; F15-L26 HydrophobicContact CE2-CD1 4.09Å; F15-L26 HydrophobicContact CE2-CD2 3.39Å; F15-L26 HydrophobicContact CE2-CG 4.28Å; F15-L26 HydrophobicContact CZ-CD1 4.3Å; F15-L26 HydrophobicContact CZ-CD2 4.3Å
16	A	98.2	Very high	92.6	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	144.6	168.4	0	0	0	0	0	109.5	L26 F27 A65 L67 L76	A16-L26 CarbonylContact O-C 3.55Å; A16-L26 VanDerWaalsContact O-CA 3.3Å; A16-L26 WeakPolarHBondContact O-CA 3.35Å; A16-F27 PolarHBondContact N-O 3.06Å; A16-F27 PolarHBondContact O-N 2.66Å; A16-A65 HydrophobicContact CB-CB 4.21Å; A16-A65 VanDerWaalsContact CB-O 3.3Å; A16-A65 WeakPolarHBondContact CB-O 3.4Å; A16-L67 HydrophobicContact CB-CB 3.56Å; A16-L76 HydrophobicContact CB-CD1 4.25Å
17	S	97.4	Very high	93.6	Very high	66 Å²	66	56.7 Å²	56.7	46%	0.462	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.8	-178.8	71.4	0	0	0	0	113.6	Y25	S17-Y25 WeakPolarHBondContact CA-O 3.39Å
18	C	97.5	Very high	94.4	Very high	18 Å²	18	55 Å²	55	12%	0.122	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	174.7	169.7	71	0	0	0	0	110.8	Y25 L67	C18-Y25 PolarHBondContact N-O 3.09Å; C18-Y25 VanDerWaalsContact N-O 3.09Å; C18-Y25 PolarHBondContact O-N 3.46Å; C18-L67 HydrophobicContact CB-CD2 4.36Å; C18-L67 HydrophobicContact CB-CG 4.26Å
19	S	95.2	Very high	95	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	139.4	175.2	179.9	0	0	0	0	111.3	G21 H23 C69	S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact OG-N 3.43Å; S19-G21 VanDerWaalsContact OG-N 3.13Å; S19-H23 WeakPolarHBondContact CA-O 3.38Å; S19-H23 VanDerWaalsContact CB-O 3.31Å; S19-H23 WeakPolarHBondContact CB-O 3.31Å; S19-H23 PolarHBondContact OG-O 3.29Å; S19-C69 PolarHBondContact O-SG 2.85Å
20	D	93.4	Very high	95.5	Very high	55 Å²	55	40.4 Å²	40.4	29%	0.294	25%	0.252	S	S	.	.			trans	-89.3	9.1	172.8	65.8	13.6	0	0	0	112.9	T22 H23 Y25	D20-T22 VanDerWaalsContact C-N 3.29Å; D20-T22 PolarHBondContact O-N 2.99Å; D20-T22 WeakPolarHBondContact OD1-CA 3.26Å; D20-T22 PolarHBondContact OD1-N 3.47Å; D20-H23 PolarHBondContact N-O 2.9Å; D20-H23 PolarHBondContact OD1-N 3.02Å; D20-H23 IonicContact OD1-ND1 3.37Å; D20-H23 IonicContact OD2-ND1 3.96Å; D20-Y25 HydrophobicContact CB-CE2 4.16Å; D20-Y25 WeakPolarHBondContact OD2-CE2 3.3Å; D20-Y25 PolarHBondContact OD2-OH 3.31Å
21	G	89.9	Confident	95.9	Very high	65 Å²	65	44.5 Å²	44.5	67%	0.67	27%	0.265	S	S	*	.	S	Bend	trans	86.8	-15.8	-175.5	0	0	0	0	0	114.8	S19	S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact OG-N 3.43Å; S19-G21 VanDerWaalsContact OG-N 3.13Å
22	T	90.9	Very high	95.9	Very high	85 Å²	85	50.6 Å²	50.6	52%	0.521	28%	0.275	S	S	.	.	S	Bend	trans	-112.1	-35.6	176.3	-51.6	0	0	0	0	111.7	D20	D20-T22 VanDerWaalsContact C-N 3.29Å; D20-T22 PolarHBondContact O-N 2.99Å; D20-T22 WeakPolarHBondContact OD1-CA 3.26Å; D20-T22 PolarHBondContact OD1-N 3.47Å
23	H	94.8	Very high	95.9	Very high	45 Å²	45	54.9 Å²	54.9	21%	0.208	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.4	-179.2	-58.4	99.6	0	0	0	110.7	S19 D20 Y25 Q42 F43	S19-H23 WeakPolarHBondContact CA-O 3.38Å; S19-H23 VanDerWaalsContact CB-O 3.31Å; S19-H23 WeakPolarHBondContact CB-O 3.31Å; S19-H23 PolarHBondContact OG-O 3.29Å; D20-H23 PolarHBondContact N-O 2.9Å; D20-H23 PolarHBondContact OD1-N 3.02Å; D20-H23 IonicContact OD1-ND1 3.37Å; D20-H23 IonicContact OD2-ND1 3.96Å; H23-Y25 HydrophobicContact CB-CE1 4.23Å; H23-Y25 HydrophobicContact CB-CE2 3.92Å; H23-Q42 HydrophobicContact CB-CG 3.97Å; H23-Q42 PolarHBondContact CD2-NE2 3.13Å; H23-Q42 PolarHBondContact NE2-NE2 3.39Å; H23-F43 VanDerWaalsContact CA-O 3.31Å; H23-F43 WeakPolarHBondContact CA-O 3.39Å
24	T	95.6	Very high	95.7	Very high	51 Å²	51	51.8 Å²	51.8	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.6	168.1	-57	0	0	0	0	108.7	L26 Q42 F43	T24-L26 HydrophobicContact CG2-CD2 4.37Å; T24-Q42 CarbonylContact O-C 3.57Å; T24-Q42 WeakPolarHBondContact O-CA 3.3Å; T24-F43 PolarHBondContact N-O 2.86Å; T24-F43 PolarHBondContact O-N 3.07Å
25	Y	97.3	Very high	95.7	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.6	-179.7	-55.2	-83	0	0	0	109.9	S17 C18 D20 H23 F41 Q42 L52 L74 L95	S17-Y25 WeakPolarHBondContact CA-O 3.39Å; C18-Y25 PolarHBondContact N-O 3.09Å; C18-Y25 VanDerWaalsContact N-O 3.09Å; C18-Y25 PolarHBondContact O-N 3.46Å; D20-Y25 HydrophobicContact CB-CE2 4.16Å; D20-Y25 WeakPolarHBondContact OD2-CE2 3.3Å; D20-Y25 PolarHBondContact OD2-OH 3.31Å; H23-Y25 HydrophobicContact CB-CE1 4.23Å; H23-Y25 HydrophobicContact CB-CE2 3.92Å; Y25-F41 CarbonylContact C-O 3.59Å; Y25-F41 VanDerWaalsContact CA-O 3.26Å; Y25-F41 WeakPolarHBondContact CA-O 3.5Å; Y25-Q42 HydrophobicContact CD1-CB 3.98Å; Y25-Q42 HydrophobicContact CD1-CG 4.08Å; Y25-Q42 HydrophobicContact CE1-CB 4.03Å; Y25-Q42 HydrophobicContact CE1-CG 3.71Å; Y25-L52 HydrophobicContact CD1-CD1 4.08Å; Y25-L52 HydrophobicContact CE1-CD1 4.03Å; Y25-L74 HydrophobicContact CD1-CD1 3.87Å; Y25-L74 HydrophobicContact CD2-CD1 4.36Å; Y25-L74 HydrophobicContact CD2-CD2 3.7Å; Y25-L74 HydrophobicContact CE1-CD1 4.44Å; Y25-L74 HydrophobicContact CE2-CD2 3.95Å; Y25-L74 HydrophobicContact CG-CD1 3.81Å; Y25-L74 HydrophobicContact CG-CD2 4.02Å; Y25-L95 HydrophobicContact CD1-CD2 4.34Å; Y25-L95 HydrophobicContact CE1-CD2 3.56Å; Y25-L95 HydrophobicContact CE2-CD1 4.43Å
26	L	97.8	Very high	95.7	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.3	172.6	-52.4	-177.1	0	0	0	109.2	P10 F15 A16 T24 L40 F41 W49	P10-L26 HydrophobicContact CG-CD1 3.83Å; F15-L26 HydrophobicContact CD2-CB 4.24Å; F15-L26 HydrophobicContact CD2-CD1 4.21Å; F15-L26 HydrophobicContact CD2-CD2 3.52Å; F15-L26 HydrophobicContact CD2-CG 4.2Å; F15-L26 HydrophobicContact CE2-CD1 4.09Å; F15-L26 HydrophobicContact CE2-CD2 3.39Å; F15-L26 HydrophobicContact CE2-CG 4.28Å; F15-L26 HydrophobicContact CZ-CD1 4.3Å; F15-L26 HydrophobicContact CZ-CD2 4.3Å; A16-L26 CarbonylContact O-C 3.55Å; A16-L26 VanDerWaalsContact O-CA 3.3Å; A16-L26 WeakPolarHBondContact O-CA 3.35Å; T24-L26 HydrophobicContact CG2-CD2 4.37Å; L26-L40 CarbonylContact O-C 3.46Å; L26-L40 WeakPolarHBondContact O-CA 3.19Å; L26-F41 HydrophobicContact CB-CB 4.21Å; L26-F41 HydrophobicContact CB-CD2 4.31Å; L26-F41 PolarHBondContact N-O 2.74Å; L26-F41 PolarHBondContact O-N 2.68Å; L26-W49 HydrophobicContact CD1-CH2 3.5Å; L26-W49 VanDerWaalsContact CD1-CH2 3.5Å; L26-W49 HydrophobicContact CD1-CZ3 3.68Å; L26-W49 HydrophobicContact CG-CH2 3.99Å; L26-W49 HydrophobicContact CG-CZ3 3.92Å
27	F	98.4	Very high	95.7	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134	174.8	-176.5	-92	0	0	0	111.6	A16 N38 E39 L40 P59 R62 L67 L76 W100	A16-F27 PolarHBondContact N-O 3.06Å; A16-F27 PolarHBondContact O-N 2.66Å; F27-N38 HydrophobicContact CE2-CB 4.4Å; F27-N38 WeakPolarHBondContact CE2-O 3.36Å; F27-N38 HydrophobicContact CZ-CB 3.87Å; F27-E39 WeakPolarHBondContact CA-O 3.4Å; F27-L40 HydrophobicContact CB-CD1 4.15Å; F27-L40 HydrophobicContact CD2-CB 4.09Å; F27-L40 HydrophobicContact CD2-CD1 4.24Å; F27-P59 HydrophobicContact CE1-CB 4.18Å; F27-P59 HydrophobicContact CE1-CG 4.41Å; F27-P59 HydrophobicContact CE2-CG 4.16Å; F27-P59 HydrophobicContact CZ-CB 3.68Å; F27-P59 HydrophobicContact CZ-CG 3.71Å; F27-R62 HydrophobicContact CD1-CG 4.44Å; F27-R62 HydrophobicContact CE1-CG 3.88Å; F27-L67 HydrophobicContact CB-CD2 4.3Å; F27-L76 HydrophobicContact CB-CD1 4.36Å; F27-L76 HydrophobicContact CD1-CD1 3.59Å; F27-L76 HydrophobicContact CD1-CD2 3.52Å; F27-L76 HydrophobicContact CD1-CG 4.21Å; F27-L76 HydrophobicContact CE1-CD1 4.25Å; F27-L76 HydrophobicContact CE1-CD2 3.34Å; F27-L76 HydrophobicContact CE1-CG 4.44Å; F27-L76 HydrophobicContact CG-CD1 4.15Å; F27-L76 HydrophobicContact CG-CD2 4.2Å; F27-L76 HydrophobicContact CZ-CD2 3.88Å; F27-W100 AromaticContact CD2-CH2 3.87Å; F27-W100 HydrophobicContact CD2-CH2 3.87Å; F27-W100 AromaticContact CD2-CZ2 3.51Å; F27-W100 HydrophobicContact CD2-CZ2 3.51Å; F27-W100 HydrophobicContact CE2-CH2 4.01Å; F27-W100 AromaticContact CE2-CZ2 3.5Å; F27-W100 HydrophobicContact CE2-CZ2 3.5Å; F27-W100 VanDerWaalsContact CE2-CZ2 3.5Å; F27-W100 HydrophobicContact CG-CH2 4.46Å
28	G	98.2	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.			trans	64.9	-144.7	173.3	0	0	0	0	0	113.2	I37 E39	G28-I37 WeakPolarHBondContact CA-O 3.47Å; G28-I37 WeakPolarHBondContact O-CD1 3.28Å; G28-E39 PolarHBondContact N-O 3.07Å; G28-E39 VanDerWaalsContact N-O 3.1Å
29	G	97.8	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.			trans	100.7	179.1	-172.6	0	0	0	0	0	113.1	E13 F36 I37 R62	E13-G29 CarbonylContact O-C 3.56Å; E13-G29 WeakPolarHBondContact O-CA 3.42Å; G29-F36 WeakPolarHBondContact O-CA 3.3Å; G29-I37 VanDerWaalsContact O-CG1 3.3Å; G29-I37 WeakPolarHBondContact O-CG1 3.49Å; G29-I37 PolarHBondContact O-N 3.2Å; G29-R62 PolarHBondContact N-O 3.34Å
30	A	97.3	Very high	95.8	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.033	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	177.7	0	0	0	0	0	110.7	V12 E13 F36 V63	V12-A30 CarbonylContact C-O 3.52Å; V12-A30 WeakPolarHBondContact CA-O 3.43Å; E13-A30 HydrophobicContact CG-CB 4.23Å; E13-A30 PolarHBondContact N-O 3.48Å; E13-A30 PolarHBondContact O-N 3.37Å; A30-F36 HydrophobicContact CB-CD1 3.84Å; A30-F36 HydrophobicContact CB-CE1 3.98Å; A30-V63 HydrophobicContact CB-CG1 3.89Å
31	R	95.8	Very high	95.9	Very high	107 Å²	107	46.9 Å²	46.9	40%	0.404	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	167.9	169	-67	-178.3	-177.7	167.5	10.3	110.3	V12 D33 G34 T35 I37 E39	V12-R31 HydrophobicContact CG1-CG 3.94Å; R31-D33 WeakPolarHBondContact CB-OD1 3.13Å; R31-D33 PolarHBondContact O-N 3.12Å; R31-D33 VanDerWaalsContact O-N 3.16Å; R31-G34 WeakPolarHBondContact O-CA 3.42Å; R31-G34 PolarHBondContact O-N 3.33Å; R31-T35 PolarHBondContact N-O 3.02Å; R31-I37 HydrophobicContact CG-CG2 4.1Å; R31-I37 VanDerWaalsContact NE-CG2 3.34Å; R31-E39 IonicContact NH2-OE1 2.99Å; R31-E39 PolarHBondContact NH2-OE1 3.09Å; R31-E39 IonicContact NH2-OE2 3.13Å; R31-E39 PolarHBondContact NH2-OE2 3.27Å; R31-E39 VanDerWaalsContact NH2-OE2 3.13Å
32	F	93.4	Very high	96.3	Very high	216 Å²	216	45 Å²	45	95%	0.947	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.1	178.4	-175.8	-97.8	0	0	0	114.1	G34	F32-G34 PolarHBondContact O-N 3.04Å
33	D	94.5	Very high	96.5	Very high	113 Å²	113	43.3 Å²	43.3	60%	0.604	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	3.3	175.7	64.6	3.8	0	0	0	113.7	R31 T35	R31-D33 WeakPolarHBondContact CB-OD1 3.13Å; R31-D33 PolarHBondContact O-N 3.12Å; R31-D33 VanDerWaalsContact O-N 3.16Å; D33-T35 VanDerWaalsContact C-N 3.3Å; D33-T35 VanDerWaalsContact CG-OG1 3.23Å; D33-T35 WeakPolarHBondContact OD1-CB 3.38Å; D33-T35 PolarHBondContact OD1-N 3.03Å; D33-T35 PolarHBondContact OD1-OG1 2.89Å; D33-T35 PolarHBondContact OD2-OG1 3.16Å
34	G	92.4	Very high	96.2	Very high	48 Å²	48	41.8 Å²	41.8	50%	0.495	22%	0.215	S	C	.	.	S	Bend	trans	83.3	-1.3	-176.7	0	0	0	0	0	114.3	R31 F32 F36	R31-G34 WeakPolarHBondContact O-CA 3.42Å; R31-G34 PolarHBondContact O-N 3.33Å; F32-G34 PolarHBondContact O-N 3.04Å; G34-F36 WeakPolarHBondContact O-CD1 3.42Å; G34-F36 PolarHBondContact O-N 3.43Å
35	T	96.5	Very high	95.8	Very high	65 Å²	65	45.5 Å²	45.5	40%	0.399	23%	0.232	S	C	.	.			trans	-68.7	121.1	179	-56.2	0	0	0	0	110.3	R31 D33	R31-T35 PolarHBondContact N-O 3.02Å; D33-T35 VanDerWaalsContact C-N 3.3Å; D33-T35 VanDerWaalsContact CG-OG1 3.23Å; D33-T35 WeakPolarHBondContact OD1-CB 3.38Å; D33-T35 PolarHBondContact OD1-N 3.03Å; D33-T35 PolarHBondContact OD1-OG1 2.89Å; D33-T35 PolarHBondContact OD2-OG1 3.16Å
36	F	97.6	Very high	95.2	Very high	47 Å²	47	52.6 Å²	52.6	21%	0.206	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-75.4	142.9	171.7	-71.1	12	0	0	0	109.7	G29 A30 G34 P61 V63 G81 P82	G29-F36 WeakPolarHBondContact O-CA 3.3Å; A30-F36 HydrophobicContact CB-CD1 3.84Å; A30-F36 HydrophobicContact CB-CE1 3.98Å; G34-F36 WeakPolarHBondContact O-CD1 3.42Å; G34-F36 PolarHBondContact O-N 3.43Å; F36-P61 HydrophobicContact CB-CB 3.9Å; F36-P61 WeakPolarHBondContact O-CB 3.31Å; F36-V63 HydrophobicContact CD1-CG1 3.76Å; F36-V63 HydrophobicContact CD2-CG1 4.02Å; F36-V63 HydrophobicContact CD2-CG2 4.43Å; F36-V63 HydrophobicContact CE1-CG1 3.63Å; F36-V63 HydrophobicContact CE1-CG2 4.35Å; F36-V63 HydrophobicContact CE2-CB 4.35Å; F36-V63 HydrophobicContact CE2-CG1 3.9Å; F36-V63 HydrophobicContact CE2-CG2 3.65Å; F36-V63 HydrophobicContact CG-CG1 3.96Å; F36-V63 HydrophobicContact CZ-CB 4.32Å; F36-V63 HydrophobicContact CZ-CG1 3.7Å; F36-V63 HydrophobicContact CZ-CG2 3.6Å; F36-G81 WeakPolarHBondContact CE2-O 3.31Å; F36-P82 HydrophobicContact CB-CG 4.23Å; F36-P82 HydrophobicContact CD2-CB 4.24Å; F36-P82 HydrophobicContact CD2-CG 4.14Å
37	I	97.7	Very high	94.6	Very high	6 Å²	6	60.5 Å²	60.5	3%	0.031	30%	0.299	C	S	.	.			trans	-122.3	166	178.6	58	152.2	0	0	0	112.1	V12 G28 G29 R31 E39 F41 P61 R62	V12-I37 HydrophobicContact CG1-CD1 3.68Å; V12-I37 HydrophobicContact CG1-CG1 4.24Å; G28-I37 WeakPolarHBondContact CA-O 3.47Å; G28-I37 WeakPolarHBondContact O-CD1 3.28Å; G29-I37 VanDerWaalsContact O-CG1 3.3Å; G29-I37 WeakPolarHBondContact O-CG1 3.49Å; G29-I37 PolarHBondContact O-N 3.2Å; R31-I37 HydrophobicContact CG-CG2 4.1Å; R31-I37 VanDerWaalsContact NE-CG2 3.34Å; I37-E39 WeakPolarHBondContact CB-OE2 3.34Å; I37-E39 HydrophobicContact CD1-CB 4.32Å; I37-E39 WeakPolarHBondContact CD1-OE2 3.33Å; I37-E39 WeakPolarHBondContact CG2-OE2 3.24Å; I37-F41 HydrophobicContact CD1-CE2 3.68Å; I37-F41 HydrophobicContact CD1-CZ 4.05Å; I37-P61 VanDerWaalsContact O-CA 3.25Å; I37-P61 WeakPolarHBondContact O-CA 3.22Å; I37-R62 PolarHBondContact O-N 3.08Å
38	N	97.8	Very high	94.2	Very high	45 Å²	45	63 Å²	63	24%	0.241	31%	0.311	C	S	.	.			trans	-129.4	21.7	173.8	63.3	-22.3	0	0	0	112.6	F27 P59 P61	F27-N38 HydrophobicContact CE2-CB 4.4Å; F27-N38 WeakPolarHBondContact CE2-O 3.36Å; F27-N38 HydrophobicContact CZ-CB 3.87Å; N38-P59 VanDerWaalsContact CB-O 3.28Å; N38-P59 WeakPolarHBondContact CB-O 3.45Å; N38-P59 PolarHBondContact ND2-O 3.07Å; N38-P61 HydrophobicContact CB-CB 4.43Å; N38-P61 HydrophobicContact CB-CG 4.12Å
39	E	97	Very high	93.9	Very high	53 Å²	53	65 Å²	65	25%	0.248	32%	0.318	C	S	.	.			trans	-70.7	142.3	175.8	-67.8	107.8	-168.4	0	0	110.5	F27 G28 R31 I37 F41 I51	F27-E39 WeakPolarHBondContact CA-O 3.4Å; G28-E39 PolarHBondContact N-O 3.07Å; G28-E39 VanDerWaalsContact N-O 3.1Å; R31-E39 IonicContact NH2-OE1 2.99Å; R31-E39 PolarHBondContact NH2-OE1 3.09Å; R31-E39 IonicContact NH2-OE2 3.13Å; R31-E39 PolarHBondContact NH2-OE2 3.27Å; R31-E39 VanDerWaalsContact NH2-OE2 3.13Å; I37-E39 WeakPolarHBondContact CB-OE2 3.34Å; I37-E39 HydrophobicContact CD1-CB 4.32Å; I37-E39 WeakPolarHBondContact CD1-OE2 3.33Å; I37-E39 WeakPolarHBondContact CG2-OE2 3.24Å; E39-F41 HydrophobicContact CB-CD2 4.38Å; E39-F41 HydrophobicContact CB-CE1 4.33Å; E39-F41 HydrophobicContact CB-CE2 3.63Å; E39-F41 HydrophobicContact CB-CZ 3.59Å; E39-F41 HydrophobicContact CG-CZ 4.39Å; E39-I51 HydrophobicContact CB-CG2 4.46Å
40	L	97.5	Very high	93.8	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112	169.8	-179.6	63.2	0	0	0	108.1	L26 F27 L52 L74 Y93 W100	L26-L40 CarbonylContact O-C 3.46Å; L26-L40 WeakPolarHBondContact O-CA 3.19Å; F27-L40 HydrophobicContact CB-CD1 4.15Å; F27-L40 HydrophobicContact CD2-CB 4.09Å; F27-L40 HydrophobicContact CD2-CD1 4.24Å; L40-L52 HydrophobicContact CB-CB 4.19Å; L40-L52 HydrophobicContact CD2-CB 3.84Å; L40-L52 HydrophobicContact CD2-CD1 3.56Å; L40-L52 HydrophobicContact CD2-CG 4.34Å; L40-L52 HydrophobicContact CG-CB 3.99Å; L40-L52 HydrophobicContact CG-CD1 3.91Å; L40-L52 HydrophobicContact CG-CG 4.47Å; L40-L52 PolarHBondContact O-N 2.8Å; L40-L74 HydrophobicContact CD1-CD1 3.9Å; L40-L74 HydrophobicContact CD2-CD1 3.95Å; L40-Y93 HydrophobicContact CD2-CD1 3.7Å; L40-Y93 HydrophobicContact CD2-CD2 4.06Å; L40-Y93 HydrophobicContact CD2-CE1 3.72Å; L40-Y93 HydrophobicContact CD2-CE2 4.06Å; L40-Y93 HydrophobicContact CD2-CG 3.85Å; L40-W100 HydrophobicContact CB-CZ2 4.18Å; L40-W100 HydrophobicContact CD1-CZ2 4.36Å; L40-W100 HydrophobicContact CD2-CZ2 3.84Å; L40-W100 HydrophobicContact CG-CZ2 4.35Å
41	F	96.8	Very high	93.7	Very high	12 Å²	12	68.6 Å²	68.6	5%	0.053	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	143.1	175.6	-55.3	-88.8	0	0	0	109.9	P10 Y25 L26 I37 E39 W49 I50 I51	P10-F41 HydrophobicContact CB-CD1 3.91Å; P10-F41 HydrophobicContact CB-CD2 4.06Å; P10-F41 HydrophobicContact CB-CE1 3.74Å; P10-F41 HydrophobicContact CB-CE2 3.89Å; P10-F41 HydrophobicContact CB-CG 4.07Å; P10-F41 HydrophobicContact CB-CZ 3.74Å; P10-F41 HydrophobicContact CG-CB 4.4Å; P10-F41 HydrophobicContact CG-CD1 4.07Å; P10-F41 HydrophobicContact CG-CD2 4.15Å; P10-F41 HydrophobicContact CG-CE1 4.42Å; P10-F41 HydrophobicContact CG-CE2 4.48Å; P10-F41 HydrophobicContact CG-CG 3.94Å; Y25-F41 CarbonylContact C-O 3.59Å; Y25-F41 VanDerWaalsContact CA-O 3.26Å; Y25-F41 WeakPolarHBondContact CA-O 3.5Å; L26-F41 HydrophobicContact CB-CB 4.21Å; L26-F41 HydrophobicContact CB-CD2 4.31Å; L26-F41 PolarHBondContact N-O 2.74Å; L26-F41 PolarHBondContact O-N 2.68Å; I37-F41 HydrophobicContact CD1-CE2 3.68Å; I37-F41 HydrophobicContact CD1-CZ 4.05Å; E39-F41 HydrophobicContact CB-CD2 4.38Å; E39-F41 HydrophobicContact CB-CE1 4.33Å; E39-F41 HydrophobicContact CB-CE2 3.63Å; E39-F41 HydrophobicContact CB-CZ 3.59Å; E39-F41 HydrophobicContact CG-CZ 4.39Å; F41-W49 HydrophobicContact CB-CE3 3.88Å; F41-W49 HydrophobicContact CB-CZ3 3.93Å; F41-I50 WeakPolarHBondContact CA-O 3.38Å; F41-I51 HydrophobicContact CD1-CG1 3.86Å; F41-I51 HydrophobicContact CE1-CD1 3.99Å; F41-I51 HydrophobicContact CE1-CG1 3.76Å
42	Q	96.4	Very high	93.7	Very high	25 Å²	25	63.9 Å²	63.9	12%	0.117	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.8	169.1	174.9	-174.2	-35.4	0	0	108.5	H23 T24 Y25 W49 I50 L52	H23-Q42 HydrophobicContact CB-CG 3.97Å; H23-Q42 PolarHBondContact CD2-NE2 3.13Å; H23-Q42 PolarHBondContact NE2-NE2 3.39Å; T24-Q42 CarbonylContact O-C 3.57Å; T24-Q42 WeakPolarHBondContact O-CA 3.3Å; Y25-Q42 HydrophobicContact CD1-CB 3.98Å; Y25-Q42 HydrophobicContact CD1-CG 4.08Å; Y25-Q42 HydrophobicContact CE1-CB 4.03Å; Y25-Q42 HydrophobicContact CE1-CG 3.71Å; Q42-W49 WeakPolarHBondContact O-CA 3.44Å; Q42-I50 HydrophobicContact CB-CD1 4.28Å; Q42-I50 HydrophobicContact CB-CG1 3.78Å; Q42-I50 HydrophobicContact CG-CD1 4.45Å; Q42-I50 HydrophobicContact CG-CG1 4.32Å; Q42-I50 PolarHBondContact N-O 2.83Å; Q42-I50 PolarHBondContact O-N 2.95Å; Q42-L52 HydrophobicContact CB-CD1 4.02Å; Q42-L52 HydrophobicContact CB-CG 4.01Å
43	F	95.8	Very high	93.8	Very high	51 Å²	51	54.3 Å²	54.3	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.3	169.4	-178.7	-109.6	0	0	0	109.8	H23 T24 H48 W49	H23-F43 VanDerWaalsContact CA-O 3.31Å; H23-F43 WeakPolarHBondContact CA-O 3.39Å; T24-F43 PolarHBondContact N-O 2.86Å; T24-F43 PolarHBondContact O-N 3.07Å; F43-H48 WeakPolarHBondContact CD2-O 3.01Å; F43-W49 HydrophobicContact CB-CD2 3.93Å; F43-W49 HydrophobicContact CB-CE3 3.73Å; F43-W49 HydrophobicContact CB-CH2 3.66Å; F43-W49 HydrophobicContact CB-CZ2 3.86Å; F43-W49 HydrophobicContact CB-CZ3 3.6Å; F43-W49 AromaticContact CD2-CD1 3.8Å; F43-W49 AromaticContact CD2-CD2 3.78Å; F43-W49 HydrophobicContact CD2-CD2 3.78Å; F43-W49 AromaticContact CD2-CE2 3.43Å; F43-W49 VanDerWaalsContact CD2-CE2 3.43Å; F43-W49 HydrophobicContact CD2-CE3 4.44Å; F43-W49 HydrophobicContact CD2-CG 4.01Å; F43-W49 AromaticContact CD2-CZ2 3.86Å; F43-W49 HydrophobicContact CD2-CZ2 3.86Å; F43-W49 AromaticContact CD2-NE1 3.45Å; F43-W49 AromaticContact CE2-NE1 3.82Å; F43-W49 HydrophobicContact CG-CD2 4.29Å; F43-W49 AromaticContact CG-CE2 3.98Å; F43-W49 HydrophobicContact CG-CH2 4.27Å; F43-W49 AromaticContact CG-CZ2 3.97Å; F43-W49 HydrophobicContact CG-CZ2 3.97Å
44	S	89.5	Confident	93.7	Very high	12 Å²	12	52.2 Å²	52.2	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.1	169.8	172.6	0	0	0	0	110.8	E46 K47 H48	S44-E46 PolarHBondContact O-N 3.23Å; S44-E46 VanDerWaalsContact O-N 3.08Å; S44-E46 PolarHBondContact OG-N 3.45Å; S44-K47 PolarHBondContact O-N 2.87Å; S44-H48 WeakPolarHBondContact CB-NE2 3.04Å; S44-H48 PolarHBondContact N-O 2.97Å; S44-H48 VanDerWaalsContact N-O 3.07Å
45	L	85.9	Confident	93.8	Very high	130 Å²	130	52 Å²	52	68%	0.681	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.1	172.2	-64	178.1	0	0	0	113.3	K47	L45-K47 PolarHBondContact O-N 3.31Å; L45-K47 VanDerWaalsContact O-N 3.16Å
46	E	85.3	Confident	93.7	Very high	154 Å²	154	51.7 Å²	51.7	72%	0.72	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	12.9	167.8	-63.8	179.4	179.6	0	0	113.4	S44 H48	S44-E46 PolarHBondContact O-N 3.23Å; S44-E46 VanDerWaalsContact O-N 3.08Å; S44-E46 PolarHBondContact OG-N 3.45Å; E46-H48 PolarHBondContact O-N 2.95Å; E46-H48 IonicContact OE2-CE1 3.2Å; E46-H48 PolarHBondContact OE2-CE1 2.91Å; E46-H48 IonicContact OE2-ND1 3.44Å
47	K	85.2	Confident	93.7	Very high	178 Å²	178	52.2 Å²	52.2	77%	0.774	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	31.8	171.6	-52.6	-179.5	-179	177.8	0	114.8	S44 L45	S44-K47 PolarHBondContact O-N 2.87Å; L45-K47 PolarHBondContact O-N 3.31Å; L45-K47 VanDerWaalsContact O-N 3.16Å
48	H	88.8	Confident	93.7	Very high	55 Å²	55	54.1 Å²	54.1	26%	0.255	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.1	173.3	59.6	-98.1	0	0	0	111.3	L6 F43 S44 E46	L6-H48 HydrophobicContact CD2-CB 3.98Å; F43-H48 WeakPolarHBondContact CD2-O 3.01Å; S44-H48 WeakPolarHBondContact CB-NE2 3.04Å; S44-H48 PolarHBondContact N-O 2.97Å; S44-H48 VanDerWaalsContact N-O 3.07Å; E46-H48 PolarHBondContact O-N 2.95Å; E46-H48 IonicContact OE2-CE1 3.2Å; E46-H48 PolarHBondContact OE2-CE1 2.91Å; E46-H48 IonicContact OE2-ND1 3.44Å
49	W	93.7	Very high	93.7	Very high	41 Å²	41	52 Å²	52	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139	169.8	-70.2	91.5	0	0	0	109.1	C7 P10 L26 F41 Q42 F43	C7-W49 PolarHBondContact N-O 3.46Å; C7-W49 WeakPolarHBondContact SG-CB 3.39Å; P10-W49 HydrophobicContact CG-CE3 4.26Å; P10-W49 HydrophobicContact CG-CH2 4.43Å; P10-W49 HydrophobicContact CG-CZ3 4.17Å; L26-W49 HydrophobicContact CD1-CH2 3.5Å; L26-W49 VanDerWaalsContact CD1-CH2 3.5Å; L26-W49 HydrophobicContact CD1-CZ3 3.68Å; L26-W49 HydrophobicContact CG-CH2 3.99Å; L26-W49 HydrophobicContact CG-CZ3 3.92Å; F41-W49 HydrophobicContact CB-CE3 3.88Å; F41-W49 HydrophobicContact CB-CZ3 3.93Å; Q42-W49 WeakPolarHBondContact O-CA 3.44Å; F43-W49 HydrophobicContact CB-CD2 3.93Å; F43-W49 HydrophobicContact CB-CE3 3.73Å; F43-W49 HydrophobicContact CB-CH2 3.66Å; F43-W49 HydrophobicContact CB-CZ2 3.86Å; F43-W49 HydrophobicContact CB-CZ3 3.6Å; F43-W49 AromaticContact CD2-CD1 3.8Å; F43-W49 AromaticContact CD2-CD2 3.78Å; F43-W49 HydrophobicContact CD2-CD2 3.78Å; F43-W49 AromaticContact CD2-CE2 3.43Å; F43-W49 VanDerWaalsContact CD2-CE2 3.43Å; F43-W49 HydrophobicContact CD2-CE3 4.44Å; F43-W49 HydrophobicContact CD2-CG 4.01Å; F43-W49 AromaticContact CD2-CZ2 3.86Å; F43-W49 HydrophobicContact CD2-CZ2 3.86Å; F43-W49 AromaticContact CD2-NE1 3.45Å; F43-W49 AromaticContact CE2-NE1 3.82Å; F43-W49 HydrophobicContact CG-CD2 4.29Å; F43-W49 AromaticContact CG-CE2 3.98Å; F43-W49 HydrophobicContact CG-CH2 4.27Å; F43-W49 AromaticContact CG-CZ2 3.97Å; F43-W49 HydrophobicContact CG-CZ2 3.97Å
50	I	94.6	Very high	93.7	Very high	26 Å²	26	56.1 Å²	56.1	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.2	167.5	62.3	177.1	0	0	0	110.1	T4 F5 F41 Q42 L52	T4-I50 HydrophobicContact CG2-CD1 3.97Å; F5-I50 VanDerWaalsContact O-CA 3.23Å; F5-I50 WeakPolarHBondContact O-CA 3.36Å; F41-I50 WeakPolarHBondContact CA-O 3.38Å; Q42-I50 HydrophobicContact CB-CD1 4.28Å; Q42-I50 HydrophobicContact CB-CG1 3.78Å; Q42-I50 HydrophobicContact CG-CD1 4.45Å; Q42-I50 HydrophobicContact CG-CG1 4.32Å; Q42-I50 PolarHBondContact N-O 2.83Å; Q42-I50 PolarHBondContact O-N 2.95Å; I50-L52 HydrophobicContact CD1-CD2 4.17Å
51	I	95.4	Very high	93.7	Very high	53 Å²	53	57.9 Å²	57.9	27%	0.272	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.3	166	-57.4	178.5	0	0	0	107.6	F5 C7 E39 F41	F5-I51 PolarHBondContact O-N 3.27Å; C7-I51 HydrophobicContact CB-CD1 4.27Å; C7-I51 HydrophobicContact CB-CG1 4.1Å; E39-I51 HydrophobicContact CB-CG2 4.46Å; F41-I51 HydrophobicContact CD1-CG1 3.86Å; F41-I51 HydrophobicContact CE1-CD1 3.99Å; F41-I51 HydrophobicContact CE1-CG1 3.76Å
52	L	96	Very high	93.8	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.2	174.5	-75.7	179.2	0	0	0	110.8	T4 Y25 L40 Q42 I50 A54 Y93 L95	T4-L52 HydrophobicContact CG2-CD2 4.1Å; Y25-L52 HydrophobicContact CD1-CD1 4.08Å; Y25-L52 HydrophobicContact CE1-CD1 4.03Å; L40-L52 HydrophobicContact CB-CB 4.19Å; L40-L52 HydrophobicContact CD2-CB 3.84Å; L40-L52 HydrophobicContact CD2-CD1 3.56Å; L40-L52 HydrophobicContact CD2-CG 4.34Å; L40-L52 HydrophobicContact CG-CB 3.99Å; L40-L52 HydrophobicContact CG-CD1 3.91Å; L40-L52 HydrophobicContact CG-CG 4.47Å; L40-L52 PolarHBondContact O-N 2.8Å; Q42-L52 HydrophobicContact CB-CD1 4.02Å; Q42-L52 HydrophobicContact CB-CG 4.01Å; I50-L52 HydrophobicContact CD1-CD2 4.17Å; L52-A54 PolarHBondContact O-N 3.18Å; L52-Y93 HydrophobicContact CD1-CE1 4.03Å; L52-L95 HydrophobicContact CD1-CD2 4.07Å
53	P	95	Very high	93.9	Very high	15 Å²	15	56.2 Å²	56.2	10%	0.097	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61	132.6	-175.7	-24.5	34.6	0	0	0	113.4	S2 T4 S55 Y93 N98	S2-P53 WeakPolarHBondContact OG-CB 3.32Å; S2-P53 WeakPolarHBondContact OG-CG 3.46Å; T4-P53 HydrophobicContact CG2-CG 4.43Å; P53-S55 PolarHBondContact O-N 2.77Å; P53-Y93 WeakPolarHBondContact O-CE2 3.48Å; P53-Y93 PolarHBondContact O-OH 3.09Å; P53-N98 HydrophobicContact CB-CB 4.3Å; P53-N98 HydrophobicContact CG-CB 4.04Å
54	A	92.3	Very high	94	Very high	70 Å²	70	54.9 Å²	54.9	58%	0.579	30%	0.303	S	S	*	.			trans	-90	80.1	172.8	0	0	0	0	0	110.3	L52 T58	L52-A54 PolarHBondContact O-N 3.18Å; A54-T58 HydrophobicContact CB-CG2 3.95Å
55	S	94.3	Very high	94.4	Very high	43 Å²	43	54.9 Å²	54.9	30%	0.301	30%	0.304	S	S	.	.			trans	-118.4	158.3	178.3	84.8	0	0	0	0	112.1	P53 N98 V99 W100	P53-S55 PolarHBondContact O-N 2.77Å; S55-N98 PolarHBondContact OG-O 2.82Å; S55-V99 WeakPolarHBondContact OG-CA 3.48Å; S55-W100 WeakPolarHBondContact O-CB 3.4Å; S55-W100 PolarHBondContact O-N 2.79Å
56	G	95.7	Very high	95	Very high	59 Å²	59	49 Å²	49	61%	0.608	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	78.8	-138	-177.8	0	0	0	0	0	112.8	T58	G56-T58 VanDerWaalsContact C-N 3.33Å; G56-T58 PolarHBondContact O-N 2.77Å; G56-T58 VanDerWaalsContact O-N 3.15Å
57	S	96.5	Very high	95.6	Very high	57 Å²	57	42.2 Å²	42.2	40%	0.399	24%	0.242	S	C	.	.	S	Bend	trans	-87.9	69.6	-179.2	-59.5	0	0	0	0	111.2	Y91 W100	S57-Y91 WeakPolarHBondContact O-CD1 3.47Å; S57-Y91 WeakPolarHBondContact O-CE1 3.38Å; S57-W100 PolarHBondContact N-O 2.81Å; S57-W100 WeakPolarHBondContact O-CB 3.3Å
58	T	97	Very high	96.2	Very high	46 Å²	46	34.3 Å²	34.3	28%	0.282	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-60.8	130.3	-175.9	-51.9	0	0	0	0	111.7	A54 G56	A54-T58 HydrophobicContact CB-CG2 3.95Å; G56-T58 VanDerWaalsContact C-N 3.33Å; G56-T58 PolarHBondContact O-N 2.77Å; G56-T58 VanDerWaalsContact O-N 3.15Å
59	P	97.9	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.6	146.9	174.9	-10.7	20.7	0	0	0	111.5	F27 N38 L76 Y91 W100	F27-P59 HydrophobicContact CE1-CB 4.18Å; F27-P59 HydrophobicContact CE1-CG 4.41Å; F27-P59 HydrophobicContact CE2-CG 4.16Å; F27-P59 HydrophobicContact CZ-CB 3.68Å; F27-P59 HydrophobicContact CZ-CG 3.71Å; N38-P59 VanDerWaalsContact CB-O 3.28Å; N38-P59 WeakPolarHBondContact CB-O 3.45Å; N38-P59 PolarHBondContact ND2-O 3.07Å; P59-L76 HydrophobicContact CB-CD2 3.83Å; P59-L76 HydrophobicContact CG-CD2 3.67Å; P59-Y91 HydrophobicContact CB-CD1 4.29Å; P59-Y91 HydrophobicContact CB-CD2 4.06Å; P59-Y91 HydrophobicContact CB-CE1 4.09Å; P59-Y91 HydrophobicContact CB-CE2 3.82Å; P59-Y91 HydrophobicContact CB-CG 4.3Å; P59-Y91 HydrophobicContact CG-CD1 3.78Å; P59-Y91 HydrophobicContact CG-CD2 3.99Å; P59-Y91 HydrophobicContact CG-CE1 4.04Å; P59-Y91 HydrophobicContact CG-CE2 4.21Å; P59-Y91 HydrophobicContact CG-CG 3.78Å; P59-W100 VanDerWaalsContact CD-CD2 3.42Å; P59-W100 HydrophobicContact CG-CD2 3.85Å; P59-W100 HydrophobicContact CG-CE3 3.71Å; P59-W100 HydrophobicContact CG-CG 4.49Å; P59-W100 HydrophobicContact CG-CH2 4.23Å; P59-W100 HydrophobicContact CG-CZ2 4.37Å; P59-W100 HydrophobicContact CG-CZ3 3.89Å
60	K	97.4	Very high	96.8	Very high	141 Å²	141	31.3 Å²	31.3	61%	0.613	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-63.7	155.8	172.8	-56.5	-178.7	-173.3	176.5	0	111.5	R62	K60-R62 PolarHBondContact O-N 2.7Å; K60-R62 PolarHBondContact O-NE 2.85Å
61	P	98.4	Very high	96.6	Very high	39 Å²	39	36.1 Å²	36.1	25%	0.253	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-51.4	137	171.4	-27.7	35.9	0	0	0	112.3	F36 I37 N38 P82	F36-P61 HydrophobicContact CB-CB 3.9Å; F36-P61 WeakPolarHBondContact O-CB 3.31Å; I37-P61 VanDerWaalsContact O-CA 3.25Å; I37-P61 WeakPolarHBondContact O-CA 3.22Å; N38-P61 HydrophobicContact CB-CB 4.43Å; N38-P61 HydrophobicContact CB-CG 4.12Å; P61-P82 HydrophobicContact CB-CG 4.02Å; P61-P82 VanDerWaalsContact O-CD 3.3Å; P61-P82 WeakPolarHBondContact O-CD 3.48Å
62	R	98.3	Very high	96.6	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	24%	0.235	C	C	.	.			trans	-162.1	157	-175.2	63.2	-172.5	71.7	-158.4	-1.6	113	F27 G29 I37 K60 A65 G78 V80 L87 D89	F27-R62 HydrophobicContact CD1-CG 4.44Å; F27-R62 HydrophobicContact CE1-CG 3.88Å; G29-R62 PolarHBondContact N-O 3.34Å; I37-R62 PolarHBondContact O-N 3.08Å; K60-R62 PolarHBondContact O-N 2.7Å; K60-R62 PolarHBondContact O-NE 2.85Å; R62-A65 HydrophobicContact CG-CB 4.17Å; R62-G78 WeakPolarHBondContact CD-O 3.18Å; R62-G78 PolarHBondContact NH1-O 2.99Å; R62-V80 WeakPolarHBondContact CA-O 3.26Å; R62-V80 VanDerWaalsContact CB-O 3.31Å; R62-V80 WeakPolarHBondContact CB-O 3.22Å; R62-L87 HydrophobicContact CB-CD1 4.3Å; R62-D89 IonicContact CZ-OD1 2.71Å; R62-D89 IonicContact CZ-OD2 3.66Å; R62-D89 IonicContact NH1-OD1 2.75Å; R62-D89 PolarHBondContact NH1-OD1 2.86Å; R62-D89 IonicContact NH1-OD2 3.52Å; R62-D89 IonicContact NH2-OD1 3.56Å; R62-D89 IonicContact NH2-OD2 3.57Å; R62-D89 PolarHBondContact NH2-OD2 3.09Å
63	V	98.4	Very high	96.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-117.6	164.3	170.8	-61.7	0	0	0	0	110.6	Q14 A30 F36 A65 G79 V80	Q14-V63 HydrophobicContact CB-CB 3.87Å; Q14-V63 HydrophobicContact CB-CG1 4.19Å; A30-V63 HydrophobicContact CB-CG1 3.89Å; F36-V63 HydrophobicContact CD1-CG1 3.76Å; F36-V63 HydrophobicContact CD2-CG1 4.02Å; F36-V63 HydrophobicContact CD2-CG2 4.43Å; F36-V63 HydrophobicContact CE1-CG1 3.63Å; F36-V63 HydrophobicContact CE1-CG2 4.35Å; F36-V63 HydrophobicContact CE2-CB 4.35Å; F36-V63 HydrophobicContact CE2-CG1 3.9Å; F36-V63 HydrophobicContact CE2-CG2 3.65Å; F36-V63 HydrophobicContact CG-CG1 3.96Å; F36-V63 HydrophobicContact CZ-CB 4.32Å; F36-V63 HydrophobicContact CZ-CG1 3.7Å; F36-V63 HydrophobicContact CZ-CG2 3.6Å; V63-A65 PolarHBondContact O-N 2.97Å; V63-G79 CarbonylContact O-C 3.56Å; V63-G79 VanDerWaalsContact O-CA 3.28Å; V63-G79 WeakPolarHBondContact O-CA 3.3Å; V63-V80 HydrophobicContact CG2-CB 3.81Å; V63-V80 HydrophobicContact CG2-CG2 4.36Å; V63-V80 PolarHBondContact N-O 3.24Å; V63-V80 VanDerWaalsContact N-O 3.07Å; V63-V80 PolarHBondContact O-N 2.83Å
64	E	97.4	Very high	96.9	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.112	24%	0.238	C	C	.	.	S	Bend	trans	57.6	21.5	168.3	-55.7	177	136.7	0	0	114.2	Q14 R115 L116	Q14-E64 HydrophobicContact CB-CG 4.04Å; Q14-E64 HydrophobicContact CG-CG 4.49Å; Q14-E64 PolarHBondContact O-N 2.78Å; E64-R115 HydrophobicContact CB-CB 3.96Å; E64-R115 IonicContact OE1-NH1 3.76Å; E64-R115 WeakPolarHBondContact OE2-CD 3.19Å; E64-R115 IonicContact OE2-CZ 3.54Å; E64-R115 IonicContact OE2-NE 3.62Å; E64-R115 IonicContact OE2-NH1 2.75Å; E64-R115 PolarHBondContact OE2-NH1 2.87Å; E64-L116 HydrophobicContact CB-CD2 3.74Å; E64-L116 HydrophobicContact CB-CG 4.07Å; E64-L116 HydrophobicContact CG-CD2 3.87Å; E64-L116 HydrophobicContact CG-CG 4.4Å; E64-L116 PolarHBondContact O-N 2.84Å
65	A	98.3	Very high	97.1	Very high	11 Å²	11	35.1 Å²	35.1	9%	0.091	22%	0.215	C	C	.	.			trans	-73.2	168.2	173.5	0	0	0	0	0	110.7	A16 R62 V63 L76 G78	A16-A65 HydrophobicContact CB-CB 4.21Å; A16-A65 VanDerWaalsContact CB-O 3.3Å; A16-A65 WeakPolarHBondContact CB-O 3.4Å; R62-A65 HydrophobicContact CG-CB 4.17Å; V63-A65 PolarHBondContact O-N 2.97Å; A65-L76 HydrophobicContact CB-CD1 3.85Å; A65-G78 WeakPolarHBondContact CB-O 3.47Å
66	S	98.5	Very high	97.3	Very high	8 Å²	8	33 Å²	33	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.7	177.2	-59.6	0	0	0	0	110.5	L76 F77	S66-L76 CarbonylContact O-C 3.54Å; S66-L76 WeakPolarHBondContact O-CA 3.3Å; S66-F77 PolarHBondContact N-O 2.86Å; S66-F77 PolarHBondContact O-N 2.84Å
67	L	98.7	Very high	97.5	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.2	179.6	-171.7	75	0	0	0	109.6	A16 C18 F27 L74 Y75 L76	A16-L67 HydrophobicContact CB-CB 3.56Å; C18-L67 HydrophobicContact CB-CD2 4.36Å; C18-L67 HydrophobicContact CB-CG 4.26Å; F27-L67 HydrophobicContact CB-CD2 4.3Å; L67-L74 HydrophobicContact CD1-CB 4.29Å; L67-Y75 CarbonylContact C-O 3.58Å; L67-Y75 WeakPolarHBondContact CA-O 3.49Å; L67-Y75 WeakPolarHBondContact CD1-O 3.34Å; L67-L76 HydrophobicContact CB-CD1 4.44Å; L67-L76 HydrophobicContact CD1-CB 4.04Å; L67-L76 HydrophobicContact CD1-CD1 4.03Å
68	T	98.3	Very high	97.5	Very high	12 Å²	12	27.5 Å²	27.5	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	172.8	171.2	-162.8	0	0	0	0	109.8	L74 Y75 F119 T120 A121 I126	T68-L74 CarbonylContact O-C 3.55Å; T68-L74 WeakPolarHBondContact O-CA 3.36Å; T68-Y75 PolarHBondContact N-O 2.81Å; T68-Y75 PolarHBondContact O-N 3.17Å; T68-F119 HydrophobicContact CG2-CD1 3.74Å; T68-F119 HydrophobicContact CG2-CE1 3.55Å; T68-F119 HydrophobicContact CG2-CZ 4.36Å; T68-T120 WeakPolarHBondContact OG1-CA 3.27Å; T68-A121 HydrophobicContact CG2-CB 3.7Å; T68-A121 PolarHBondContact OG1-N 2.89Å; T68-I126 HydrophobicContact CG2-CG2 4.38Å
69	C	97.4	Very high	97.6	Very high	24 Å²	24	25.3 Å²	25.3	16%	0.162	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.1	177.4	60.6	0	0	0	0	110.5	S19 T73 L74	S19-C69 PolarHBondContact O-SG 2.85Å; C69-T73 WeakPolarHBondContact CA-O 3.42Å; C69-L74 HydrophobicContact CB-CD2 3.63Å
70	S	96.5	Very high	97.5	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	127.3	168.7	-173	0	0	0	0	108.8	S72 T73 S122	S70-S72 PolarHBondContact O-N 2.89Å; S70-T73 PolarHBondContact N-O 2.82Å; S70-T73 PolarHBondContact O-N 2.91Å; S70-S122 WeakPolarHBondContact CB-O 3.38Å; S70-S122 PolarHBondContact OG-O 3.39Å
71	N	92	Very high	97.5	Very high	128 Å²	128	19 Å²	19	68%	0.684	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	-125.6	-172.1	-54.1	-48.3	0	0	0	110.8	T73	N71-T73 VanDerWaalsContact C-N 3.35Å
72	S	95	Very high	97.4	Very high	65 Å²	65	21.4 Å²	21.4	46%	0.455	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	27	177.9	-53.3	0	0	0	0	113.2	S70 L95	S70-S72 PolarHBondContact O-N 2.89Å; S72-L95 VanDerWaalsContact O-CB 3.31Å; S72-L95 WeakPolarHBondContact O-CB 3.32Å; S72-L95 PolarHBondContact O-N 2.81Å
73	T	97.5	Very high	97.2	Very high	33 Å²	33	27.4 Å²	27.4	20%	0.202	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.5	-176.6	-53	0	0	0	0	110.7	C69 S70 N71 Y75 Y93	C69-T73 WeakPolarHBondContact CA-O 3.42Å; S70-T73 PolarHBondContact N-O 2.82Å; S70-T73 PolarHBondContact O-N 2.91Å; N71-T73 VanDerWaalsContact C-N 3.35Å; T73-Y75 HydrophobicContact CG2-CD2 4.25Å; T73-Y75 HydrophobicContact CG2-CE1 3.97Å; T73-Y75 HydrophobicContact CG2-CE2 3.63Å; T73-Y75 VanDerWaalsContact CG2-CZ 3.48Å; T73-Y93 VanDerWaalsContact CA-O 3.3Å; T73-Y93 WeakPolarHBondContact CA-O 3.37Å
74	L	98.4	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	147.8	166.5	-48.4	-179.5	0	0	0	109.5	Y25 L40 L67 T68 C69 S92 Y93 L95	Y25-L74 HydrophobicContact CD1-CD1 3.87Å; Y25-L74 HydrophobicContact CD2-CD1 4.36Å; Y25-L74 HydrophobicContact CD2-CD2 3.7Å; Y25-L74 HydrophobicContact CE1-CD1 4.44Å; Y25-L74 HydrophobicContact CE2-CD2 3.95Å; Y25-L74 HydrophobicContact CG-CD1 3.81Å; Y25-L74 HydrophobicContact CG-CD2 4.02Å; L40-L74 HydrophobicContact CD1-CD1 3.9Å; L40-L74 HydrophobicContact CD2-CD1 3.95Å; L67-L74 HydrophobicContact CD1-CB 4.29Å; T68-L74 CarbonylContact O-C 3.55Å; T68-L74 WeakPolarHBondContact O-CA 3.36Å; C69-L74 HydrophobicContact CB-CD2 3.63Å; L74-S92 CarbonylContact O-C 3.56Å; L74-S92 WeakPolarHBondContact O-CA 3.46Å; L74-Y93 HydrophobicContact CD1-CD1 4.41Å; L74-Y93 PolarHBondContact N-O 2.79Å; L74-Y93 PolarHBondContact O-N 2.91Å; L74-L95 HydrophobicContact CD1-CD2 4.11Å; L74-L95 HydrophobicContact CD2-CD1 4.02Å; L74-L95 HydrophobicContact CD2-CD2 4.5Å; L74-L95 HydrophobicContact CD2-CG 4.5Å; L74-L95 HydrophobicContact CG-CD1 4.25Å; L74-L95 HydrophobicContact CG-CD2 4.09Å; L74-L95 HydrophobicContact CG-CG 4.19Å
75	Y	98.3	Very high	96.7	Very high	26 Å²	26	29.4 Å²	29.4	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.6	173.9	-63.5	-87.5	0	0	0	110	L67 T68 T73 Y91 L103 I126 F160	L67-Y75 CarbonylContact C-O 3.58Å; L67-Y75 WeakPolarHBondContact CA-O 3.49Å; L67-Y75 WeakPolarHBondContact CD1-O 3.34Å; T68-Y75 PolarHBondContact N-O 2.81Å; T68-Y75 PolarHBondContact O-N 3.17Å; T73-Y75 HydrophobicContact CG2-CD2 4.25Å; T73-Y75 HydrophobicContact CG2-CE1 3.97Å; T73-Y75 HydrophobicContact CG2-CE2 3.63Å; T73-Y75 VanDerWaalsContact CG2-CZ 3.48Å; Y75-Y91 VanDerWaalsContact CA-O 3.3Å; Y75-Y91 WeakPolarHBondContact CA-O 3.42Å; Y75-L103 HydrophobicContact CE1-CD1 4.39Å; Y75-I126 HydrophobicContact CD1-CD1 3.5Å; Y75-I126 VanDerWaalsContact CD1-CD1 3.5Å; Y75-I126 HydrophobicContact CD2-CD1 4.11Å; Y75-I126 HydrophobicContact CD2-CG1 4.41Å; Y75-I126 HydrophobicContact CE1-CD1 4.09Å; Y75-I126 HydrophobicContact CG-CD1 3.49Å; Y75-I126 VanDerWaalsContact CG-CD1 3.49Å; Y75-I126 HydrophobicContact CG-CG1 4.24Å; Y75-F160 HydrophobicContact CD2-CE1 4.48Å; Y75-F160 HydrophobicContact CE1-CD1 4.37Å; Y75-F160 AromaticContact CE1-CE1 3.8Å; Y75-F160 HydrophobicContact CE1-CE1 3.8Å; Y75-F160 AromaticContact CE2-CE1 3.77Å; Y75-F160 HydrophobicContact CE2-CE1 3.77Å; Y75-F160 AromaticContact CE2-CZ 3.79Å; Y75-F160 HydrophobicContact CE2-CZ 3.79Å; Y75-F160 AromaticContact CZ-CE1 3.36Å; Y75-F160 AromaticContact CZ-CZ 3.83Å; Y75-F160 WeakPolarHBondContact OH-CE1 3.23Å
76	L	98.6	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.3	-178.4	178.9	78.1	0	0	0	109.3	A16 F27 P59 A65 S66 L67 L90 Y91 W100	A16-L76 HydrophobicContact CB-CD1 4.25Å; F27-L76 HydrophobicContact CB-CD1 4.36Å; F27-L76 HydrophobicContact CD1-CD1 3.59Å; F27-L76 HydrophobicContact CD1-CD2 3.52Å; F27-L76 HydrophobicContact CD1-CG 4.21Å; F27-L76 HydrophobicContact CE1-CD1 4.25Å; F27-L76 HydrophobicContact CE1-CD2 3.34Å; F27-L76 HydrophobicContact CE1-CG 4.44Å; F27-L76 HydrophobicContact CG-CD1 4.15Å; F27-L76 HydrophobicContact CG-CD2 4.2Å; F27-L76 HydrophobicContact CZ-CD2 3.88Å; P59-L76 HydrophobicContact CB-CD2 3.83Å; P59-L76 HydrophobicContact CG-CD2 3.67Å; A65-L76 HydrophobicContact CB-CD1 3.85Å; S66-L76 CarbonylContact O-C 3.54Å; S66-L76 WeakPolarHBondContact O-CA 3.3Å; L67-L76 HydrophobicContact CB-CD1 4.44Å; L67-L76 HydrophobicContact CD1-CB 4.04Å; L67-L76 HydrophobicContact CD1-CD1 4.03Å; L76-L90 WeakPolarHBondContact O-CA 3.49Å; L76-Y91 HydrophobicContact CD2-CD2 4.39Å; L76-Y91 PolarHBondContact N-O 3.03Å; L76-Y91 PolarHBondContact O-N 2.84Å; L76-W100 HydrophobicContact CB-CH2 4.37Å; L76-W100 HydrophobicContact CB-CZ3 4.12Å; L76-W100 HydrophobicContact CD2-CH2 4.34Å; L76-W100 HydrophobicContact CD2-CZ3 4.37Å
77	F	98.2	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.4	178.6	-176.7	-92.9	0	0	0	112.6	S66 N88 D89 L90 P111 R114 F119 L128 W165	S66-F77 PolarHBondContact N-O 2.86Å; S66-F77 PolarHBondContact O-N 2.84Å; F77-N88 HydrophobicContact CE2-CB 4.35Å; F77-N88 VanDerWaalsContact CE2-O 3.23Å; F77-N88 WeakPolarHBondContact CE2-O 3.35Å; F77-N88 HydrophobicContact CZ-CB 3.95Å; F77-D89 WeakPolarHBondContact CA-O 3.4Å; F77-L90 HydrophobicContact CB-CD1 4.07Å; F77-L90 HydrophobicContact CD2-CB 4.12Å; F77-L90 HydrophobicContact CD2-CD1 4.08Å; F77-P111 HydrophobicContact CE1-CB 4.39Å; F77-P111 HydrophobicContact CE2-CG 4.43Å; F77-P111 HydrophobicContact CZ-CB 3.81Å; F77-P111 HydrophobicContact CZ-CG 4.03Å; F77-R114 HydrophobicContact CE1-CG 3.71Å; F77-F119 HydrophobicContact CB-CE1 4.24Å; F77-F119 HydrophobicContact CB-CE2 3.85Å; F77-F119 HydrophobicContact CB-CZ 3.59Å; F77-F119 HydrophobicContact CG-CE2 4.39Å; F77-L128 HydrophobicContact CD1-CD1 3.24Å; F77-L128 HydrophobicContact CE1-CD1 3.35Å; F77-L128 HydrophobicContact CG-CD1 3.98Å; F77-L128 HydrophobicContact CZ-CD1 4.16Å; F77-W165 HydrophobicContact CD2-CZ2 4.03Å; F77-W165 HydrophobicContact CE2-CZ2 4.08Å
78	G	97.6	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	-144.8	166.4	0	0	0	0	0	115.2	R62 A65 L87 D89	R62-G78 WeakPolarHBondContact CD-O 3.18Å; R62-G78 PolarHBondContact NH1-O 2.99Å; A65-G78 WeakPolarHBondContact CB-O 3.47Å; G78-L87 WeakPolarHBondContact CA-O 3.38Å; G78-D89 PolarHBondContact N-O 3.21Å
79	G	97.8	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.1	-165.8	-175.2	0	0	0	0	0	113.3	V63 L87 R114	V63-G79 CarbonylContact O-C 3.56Å; V63-G79 VanDerWaalsContact O-CA 3.28Å; V63-G79 WeakPolarHBondContact O-CA 3.3Å; G79-L87 PolarHBondContact O-N 3.14Å; G79-R114 PolarHBondContact N-O 3.3Å
80	V	97.3	Very high	96.4	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.7	-179.8	-171.8	0	0	0	0	110.1	R62 V63 S85 L86 R115	R62-V80 WeakPolarHBondContact CA-O 3.26Å; R62-V80 VanDerWaalsContact CB-O 3.31Å; R62-V80 WeakPolarHBondContact CB-O 3.22Å; V63-V80 HydrophobicContact CG2-CB 3.81Å; V63-V80 HydrophobicContact CG2-CG2 4.36Å; V63-V80 PolarHBondContact N-O 3.24Å; V63-V80 VanDerWaalsContact N-O 3.07Å; V63-V80 PolarHBondContact O-N 2.83Å; V80-S85 CarbonylContact C-O 3.58Å; V80-S85 WeakPolarHBondContact CA-O 3.4Å; V80-L86 HydrophobicContact CG2-CD2 3.9Å; V80-R115 HydrophobicContact CG2-CB 4.11Å; V80-R115 HydrophobicContact CG2-CG 4.38Å
81	G	97.2	Very high	96.4	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	21%	0.206	C	C	.	.			trans	-77.3	169.3	174.2	0	0	0	0	0	113.3	F36 D83 G84 S85	F36-G81 WeakPolarHBondContact CE2-O 3.31Å; G81-D83 PolarHBondContact O-N 3.35Å; G81-G84 WeakPolarHBondContact O-CA 3.45Å; G81-G84 PolarHBondContact O-N 3.01Å; G81-S85 PolarHBondContact N-O 3.12Å
82	P	95.5	Very high	96.7	Very high	88 Å²	88	29.8 Å²	29.8	57%	0.571	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.1	-177.3	-19.9	35.1	0	0	0	113.7	F36 P61	F36-P82 HydrophobicContact CB-CG 4.23Å; F36-P82 HydrophobicContact CD2-CB 4.24Å; F36-P82 HydrophobicContact CD2-CG 4.14Å; P61-P82 HydrophobicContact CB-CG 4.02Å; P61-P82 VanDerWaalsContact O-CD 3.3Å; P61-P82 WeakPolarHBondContact O-CD 3.48Å
83	D	94.1	Very high	96.9	Very high	128 Å²	128	26.7 Å²	26.7	68%	0.684	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	1.2	172.8	62.1	-6.3	0	0	0	113	G81 S85	G81-D83 PolarHBondContact O-N 3.35Å; D83-S85 VanDerWaalsContact C-N 3.29Å; D83-S85 VanDerWaalsContact CG-OG 3.31Å; D83-S85 VanDerWaalsContact OD1-CB 3.29Å; D83-S85 WeakPolarHBondContact OD1-CB 3.43Å; D83-S85 PolarHBondContact OD1-N 3.45Å; D83-S85 PolarHBondContact OD1-OG 2.91Å; D83-S85 PolarHBondContact OD2-OG 2.88Å
84	G	92.5	Very high	96.8	Very high	22 Å²	22	26.5 Å²	26.5	23%	0.227	15%	0.154	C	C	.	.	S	Bend	trans	78.8	7.8	-177.4	0	0	0	0	0	114.2	G81 H144	G81-G84 WeakPolarHBondContact O-CA 3.45Å; G81-G84 PolarHBondContact O-N 3.01Å; G84-H144 WeakPolarHBondContact CA-NE2 3.3Å; G84-H144 PolarHBondContact O-NE2 3.21Å
85	S	94.4	Very high	96.7	Very high	44 Å²	44	28 Å²	28	31%	0.308	16%	0.161	S	C	.	.			trans	-75.5	139.7	176	64.7	0	0	0	0	111.6	V80 G81 D83	V80-S85 CarbonylContact C-O 3.58Å; V80-S85 WeakPolarHBondContact CA-O 3.4Å; G81-S85 PolarHBondContact N-O 3.12Å; D83-S85 VanDerWaalsContact C-N 3.29Å; D83-S85 VanDerWaalsContact CG-OG 3.31Å; D83-S85 VanDerWaalsContact OD1-CB 3.29Å; D83-S85 WeakPolarHBondContact OD1-CB 3.43Å; D83-S85 PolarHBondContact OD1-N 3.45Å; D83-S85 PolarHBondContact OD1-OG 2.91Å; D83-S85 PolarHBondContact OD2-OG 2.88Å
86	L	96.4	Very high	96.5	Very high	44 Å²	44	31.9 Å²	31.9	23%	0.23	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145	166.4	-71.2	169.9	0	0	0	109.8	V80 P113 R115 V133	V80-L86 HydrophobicContact CG2-CD2 3.9Å; L86-P113 HydrophobicContact CB-CB 3.64Å; L86-P113 WeakPolarHBondContact O-CB 3.24Å; L86-R115 HydrophobicContact CD2-CB 3.9Å; L86-R115 HydrophobicContact CD2-CG 3.74Å; L86-V133 VanDerWaalsContact CD1-O 3.26Å; L86-V133 WeakPolarHBondContact CD1-O 3.17Å
87	L	96.5	Very high	96.4	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.131	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	155.5	-177.5	-54.1	174.4	0	0	0	110.8	R62 G78 G79 P113 R114	R62-L87 HydrophobicContact CB-CD1 4.3Å; G78-L87 WeakPolarHBondContact CA-O 3.38Å; G79-L87 PolarHBondContact O-N 3.14Å; L87-P113 WeakPolarHBondContact O-CA 3.5Å; L87-R114 PolarHBondContact O-N 2.79Å
88	N	96.2	Very high	96.3	Very high	65 Å²	65	42.6 Å²	42.6	35%	0.348	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	19.3	171.7	63.6	-19.4	0	0	0	113	F77 P111 P113	F77-N88 HydrophobicContact CE2-CB 4.35Å; F77-N88 VanDerWaalsContact CE2-O 3.23Å; F77-N88 WeakPolarHBondContact CE2-O 3.35Å; F77-N88 HydrophobicContact CZ-CB 3.95Å; N88-P111 WeakPolarHBondContact CB-O 3.3Å; N88-P111 PolarHBondContact ND2-O 2.79Å; N88-P113 HydrophobicContact CB-CB 4.48Å; N88-P113 HydrophobicContact CB-CG 4.18Å
89	D	96.5	Very high	96.3	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.3	175.2	50.4	0.1	0	0	0	110.5	R62 F77 G78 Y91	R62-D89 IonicContact CZ-OD1 2.71Å; R62-D89 IonicContact CZ-OD2 3.66Å; R62-D89 IonicContact NH1-OD1 2.75Å; R62-D89 PolarHBondContact NH1-OD1 2.86Å; R62-D89 IonicContact NH1-OD2 3.52Å; R62-D89 IonicContact NH2-OD1 3.56Å; R62-D89 IonicContact NH2-OD2 3.57Å; R62-D89 PolarHBondContact NH2-OD2 3.09Å; F77-D89 WeakPolarHBondContact CA-O 3.4Å; G78-D89 PolarHBondContact N-O 3.21Å; D89-Y91 HydrophobicContact CB-CD2 4.49Å; D89-Y91 HydrophobicContact CB-CE2 3.74Å; D89-Y91 WeakPolarHBondContact OD2-CE2 3.35Å; D89-Y91 PolarHBondContact OD2-OH 3.04Å
90	L	97.6	Very high	96.3	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.4	175.5	-177.2	67.4	0	0	0	109	L76 F77 L103 V106 F119 I126 F158 W165	L76-L90 WeakPolarHBondContact O-CA 3.49Å; F77-L90 HydrophobicContact CB-CD1 4.07Å; F77-L90 HydrophobicContact CD2-CB 4.12Å; F77-L90 HydrophobicContact CD2-CD1 4.08Å; L90-L103 HydrophobicContact CD2-CB 4.44Å; L90-L103 HydrophobicContact CD2-CD1 3.69Å; L90-L103 HydrophobicContact CG-CB 4.49Å; L90-L103 HydrophobicContact CG-CD1 3.94Å; L90-L103 PolarHBondContact O-N 3.2Å; L90-V106 HydrophobicContact CD2-CG1 3.94Å; L90-F119 HydrophobicContact CD1-CZ 4.38Å; L90-I126 HydrophobicContact CD1-CD1 4.21Å; L90-I126 HydrophobicContact CD2-CD1 4.48Å; L90-F158 HydrophobicContact CD2-CD1 4.1Å; L90-F158 HydrophobicContact CD2-CD2 4.12Å; L90-F158 HydrophobicContact CD2-CE1 4.09Å; L90-F158 HydrophobicContact CD2-CE2 4.13Å; L90-F158 HydrophobicContact CD2-CG 4.1Å; L90-F158 HydrophobicContact CD2-CZ 4.09Å; L90-W165 HydrophobicContact CD1-CZ2 4.31Å; L90-W165 HydrophobicContact CD2-CZ2 3.93Å
91	Y	97.9	Very high	96.3	Very high	20 Å²	20	47.6 Å²	47.6	8%	0.078	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.5	173.6	-61.3	-103.2	0	0	0	111	S57 P59 Y75 L76 D89 I101 V102	S57-Y91 WeakPolarHBondContact O-CD1 3.47Å; S57-Y91 WeakPolarHBondContact O-CE1 3.38Å; P59-Y91 HydrophobicContact CB-CD1 4.29Å; P59-Y91 HydrophobicContact CB-CD2 4.06Å; P59-Y91 HydrophobicContact CB-CE1 4.09Å; P59-Y91 HydrophobicContact CB-CE2 3.82Å; P59-Y91 HydrophobicContact CB-CG 4.3Å; P59-Y91 HydrophobicContact CG-CD1 3.78Å; P59-Y91 HydrophobicContact CG-CD2 3.99Å; P59-Y91 HydrophobicContact CG-CE1 4.04Å; P59-Y91 HydrophobicContact CG-CE2 4.21Å; P59-Y91 HydrophobicContact CG-CG 3.78Å; Y75-Y91 VanDerWaalsContact CA-O 3.3Å; Y75-Y91 WeakPolarHBondContact CA-O 3.42Å; L76-Y91 HydrophobicContact CD2-CD2 4.39Å; L76-Y91 PolarHBondContact N-O 3.03Å; L76-Y91 PolarHBondContact O-N 2.84Å; D89-Y91 HydrophobicContact CB-CD2 4.49Å; D89-Y91 HydrophobicContact CB-CE2 3.74Å; D89-Y91 WeakPolarHBondContact OD2-CE2 3.35Å; D89-Y91 PolarHBondContact OD2-OH 3.04Å; Y91-I101 CarbonylContact C-O 3.54Å; Y91-I101 VanDerWaalsContact CA-O 3.3Å; Y91-I101 WeakPolarHBondContact CA-O 3.38Å; Y91-V102 HydrophobicContact CD1-CB 3.77Å; Y91-V102 HydrophobicContact CD1-CG2 4.31Å; Y91-V102 HydrophobicContact CE1-CB 3.6Å; Y91-V102 HydrophobicContact CE1-CG2 3.97Å
92	S	97.5	Very high	96.2	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148	161	60.5	0	0	0	0	111.4	L74 W100 I101	L74-S92 CarbonylContact O-C 3.56Å; L74-S92 WeakPolarHBondContact O-CA 3.46Å; S92-W100 WeakPolarHBondContact O-CA 3.25Å; S92-I101 PolarHBondContact N-O 2.81Å; S92-I101 PolarHBondContact O-N 2.87Å
93	Y	98.3	Very high	96.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.6	168.1	-169.5	-99.3	0	0	0	109.4	L40 L52 P53 T73 L74 L95 N98 V99 W100	L40-Y93 HydrophobicContact CD2-CD1 3.7Å; L40-Y93 HydrophobicContact CD2-CD2 4.06Å; L40-Y93 HydrophobicContact CD2-CE1 3.72Å; L40-Y93 HydrophobicContact CD2-CE2 4.06Å; L40-Y93 HydrophobicContact CD2-CG 3.85Å; L52-Y93 HydrophobicContact CD1-CE1 4.03Å; P53-Y93 WeakPolarHBondContact O-CE2 3.48Å; P53-Y93 PolarHBondContact O-OH 3.09Å; T73-Y93 VanDerWaalsContact CA-O 3.3Å; T73-Y93 WeakPolarHBondContact CA-O 3.37Å; L74-Y93 HydrophobicContact CD1-CD1 4.41Å; L74-Y93 PolarHBondContact N-O 2.79Å; L74-Y93 PolarHBondContact O-N 2.91Å; Y93-L95 HydrophobicContact CD1-CD2 3.92Å; Y93-L95 HydrophobicContact CD1-CG 4.36Å; Y93-L95 HydrophobicContact CE1-CD2 4.13Å; Y93-L95 PolarHBondContact O-N 2.84Å; Y93-N98 VanDerWaalsContact OH-CA 3.3Å; Y93-N98 WeakPolarHBondContact OH-CA 3.42Å; Y93-N98 WeakPolarHBondContact OH-CB 3.4Å; Y93-N98 PolarHBondContact OH-OD1 2.94Å; Y93-V99 WeakPolarHBondContact CA-O 3.06Å; Y93-W100 HydrophobicContact CD2-CB 4.38Å; Y93-W100 AromaticContact CD2-CD1 3.54Å; Y93-W100 AromaticContact CD2-CD2 3.44Å; Y93-W100 HydrophobicContact CD2-CD2 3.44Å; Y93-W100 VanDerWaalsContact CD2-CD2 3.44Å; Y93-W100 AromaticContact CD2-CE2 3.36Å; Y93-W100 HydrophobicContact CD2-CE3 4.08Å; Y93-W100 AromaticContact CD2-CG 3.56Å; Y93-W100 HydrophobicContact CD2-CG 3.56Å; Y93-W100 AromaticContact CD2-CZ2 3.97Å; Y93-W100 HydrophobicContact CD2-CZ2 3.97Å; Y93-W100 AromaticContact CD2-NE1 3.4Å; Y93-W100 AromaticContact CE2-CD1 3.6Å; Y93-W100 HydrophobicContact CE2-CD2 4.28Å; Y93-W100 AromaticContact CE2-CE2 3.95Å; Y93-W100 HydrophobicContact CE2-CG 4.08Å; Y93-W100 AromaticContact CE2-NE1 3.5Å; Y93-W100 HydrophobicContact CG-CD2 4.23Å; Y93-W100 HydrophobicContact CG-CE3 4.48Å; Y93-W100 HydrophobicContact CG-CZ2 4.31Å
94	D	97	Very high	95.1	Very high	30 Å²	30	45.4 Å²	45.4	16%	0.16	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.8	173.9	-178.1	-33.4	0	0	0	108.9	V96 R97 N98 V99	D94-V96 PolarHBondContact O-N 3.03Å; D94-V96 WeakPolarHBondContact OD1-CA 3.26Å; D94-V96 VanDerWaalsContact OD1-CB 3.32Å; D94-V96 WeakPolarHBondContact OD1-CB 3.4Å; D94-V96 PolarHBondContact OD1-N 3.42Å; D94-R97 HydrophobicContact CB-CB 4.19Å; D94-R97 PolarHBondContact O-N 2.93Å; D94-R97 PolarHBondContact OD1-N 3.04Å; D94-R97 VanDerWaalsContact OD2-CD 3.26Å; D94-R97 WeakPolarHBondContact OD2-CD 3.47Å; D94-R97 WeakPolarHBondContact OD2-CG 3.39Å; D94-R97 IonicContact OD2-NE 3.77Å; D94-R97 IonicContact OD2-NH1 3.81Å; D94-N98 VanDerWaalsContact O-CA 3.26Å; D94-N98 WeakPolarHBondContact O-CA 3.33Å; D94-N98 PolarHBondContact O-N 2.9Å; D94-V99 HydrophobicContact CB-CG1 4.12Å; D94-V99 PolarHBondContact N-O 2.82Å; D94-V99 PolarHBondContact O-N 2.92Å
95	L	95.8	Very high	93.9	Very high	30 Å²	30	51.9 Å²	51.9	16%	0.157	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.8	-178.4	-69.7	166.5	0	0	0	113	Y25 L52 S72 L74 Y93	Y25-L95 HydrophobicContact CD1-CD2 4.34Å; Y25-L95 HydrophobicContact CE1-CD2 3.56Å; Y25-L95 HydrophobicContact CE2-CD1 4.43Å; L52-L95 HydrophobicContact CD1-CD2 4.07Å; S72-L95 VanDerWaalsContact O-CB 3.31Å; S72-L95 WeakPolarHBondContact O-CB 3.32Å; S72-L95 PolarHBondContact O-N 2.81Å; L74-L95 HydrophobicContact CD1-CD2 4.11Å; L74-L95 HydrophobicContact CD2-CD1 4.02Å; L74-L95 HydrophobicContact CD2-CD2 4.5Å; L74-L95 HydrophobicContact CD2-CG 4.5Å; L74-L95 HydrophobicContact CG-CD1 4.25Å; L74-L95 HydrophobicContact CG-CD2 4.09Å; L74-L95 HydrophobicContact CG-CG 4.19Å; Y93-L95 HydrophobicContact CD1-CD2 3.92Å; Y93-L95 HydrophobicContact CD1-CG 4.36Å; Y93-L95 HydrophobicContact CE1-CD2 4.13Å; Y93-L95 PolarHBondContact O-N 2.84Å
96	V	95	Very high	92.9	Very high	109 Å²	109	51.4 Å²	51.4	66%	0.661	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-46.1	178.2	-177.4	0	0	0	0	109.9	D94	D94-V96 PolarHBondContact O-N 3.03Å; D94-V96 WeakPolarHBondContact OD1-CA 3.26Å; D94-V96 VanDerWaalsContact OD1-CB 3.32Å; D94-V96 WeakPolarHBondContact OD1-CB 3.4Å; D94-V96 PolarHBondContact OD1-N 3.42Å
97	R	95.7	Very high	92.3	Very high	187 Å²	187	54 Å²	54	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-14	-177.3	-63.5	-178.8	-178.8	157.6	-2.4	113.5	D94 V99	D94-R97 HydrophobicContact CB-CB 4.19Å; D94-R97 PolarHBondContact O-N 2.93Å; D94-R97 PolarHBondContact OD1-N 3.04Å; D94-R97 VanDerWaalsContact OD2-CD 3.26Å; D94-R97 WeakPolarHBondContact OD2-CD 3.47Å; D94-R97 WeakPolarHBondContact OD2-CG 3.39Å; D94-R97 IonicContact OD2-NE 3.77Å; D94-R97 IonicContact OD2-NH1 3.81Å; R97-V99 HydrophobicContact CB-CG1 3.91Å
98	N	96	Very high	92	Very high	37 Å²	37	55.4 Å²	55.4	20%	0.198	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	48.4	-175.4	-66.6	-70.4	0	0	0	112.9	P53 S55 Y93 D94	P53-N98 HydrophobicContact CB-CB 4.3Å; P53-N98 HydrophobicContact CG-CB 4.04Å; S55-N98 PolarHBondContact OG-O 2.82Å; Y93-N98 VanDerWaalsContact OH-CA 3.3Å; Y93-N98 WeakPolarHBondContact OH-CA 3.42Å; Y93-N98 WeakPolarHBondContact OH-CB 3.4Å; Y93-N98 PolarHBondContact OH-OD1 2.94Å; D94-N98 VanDerWaalsContact O-CA 3.26Å; D94-N98 WeakPolarHBondContact O-CA 3.33Å; D94-N98 PolarHBondContact O-N 2.9Å
99	V	97.2	Very high	91.8	Very high	35 Å²	35	57.2 Å²	57.2	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.8	-176	70.9	0	0	0	0	111.8	S55 Y93 D94 R97 I101	S55-V99 WeakPolarHBondContact OG-CA 3.48Å; Y93-V99 WeakPolarHBondContact CA-O 3.06Å; D94-V99 HydrophobicContact CB-CG1 4.12Å; D94-V99 PolarHBondContact N-O 2.82Å; D94-V99 PolarHBondContact O-N 2.92Å; R97-V99 HydrophobicContact CB-CG1 3.91Å; V99-I101 HydrophobicContact CG1-CD1 4.5Å; V99-I101 HydrophobicContact CG1-CG1 4.39Å
100	W	98.2	Very high	91.7	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.011	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.6	168.4	-74	101.9	0	0	0	110.8	F27 L40 S55 S57 P59 L76 S92 Y93	F27-W100 AromaticContact CD2-CH2 3.87Å; F27-W100 HydrophobicContact CD2-CH2 3.87Å; F27-W100 AromaticContact CD2-CZ2 3.51Å; F27-W100 HydrophobicContact CD2-CZ2 3.51Å; F27-W100 HydrophobicContact CE2-CH2 4.01Å; F27-W100 AromaticContact CE2-CZ2 3.5Å; F27-W100 HydrophobicContact CE2-CZ2 3.5Å; F27-W100 VanDerWaalsContact CE2-CZ2 3.5Å; F27-W100 HydrophobicContact CG-CH2 4.46Å; L40-W100 HydrophobicContact CB-CZ2 4.18Å; L40-W100 HydrophobicContact CD1-CZ2 4.36Å; L40-W100 HydrophobicContact CD2-CZ2 3.84Å; L40-W100 HydrophobicContact CG-CZ2 4.35Å; S55-W100 WeakPolarHBondContact O-CB 3.4Å; S55-W100 PolarHBondContact O-N 2.79Å; S57-W100 PolarHBondContact N-O 2.81Å; S57-W100 WeakPolarHBondContact O-CB 3.3Å; P59-W100 VanDerWaalsContact CD-CD2 3.42Å; P59-W100 HydrophobicContact CG-CD2 3.85Å; P59-W100 HydrophobicContact CG-CE3 3.71Å; P59-W100 HydrophobicContact CG-CG 4.49Å; P59-W100 HydrophobicContact CG-CH2 4.23Å; P59-W100 HydrophobicContact CG-CZ2 4.37Å; P59-W100 HydrophobicContact CG-CZ3 3.89Å; L76-W100 HydrophobicContact CB-CH2 4.37Å; L76-W100 HydrophobicContact CB-CZ3 4.12Å; L76-W100 HydrophobicContact CD2-CH2 4.34Å; L76-W100 HydrophobicContact CD2-CZ3 4.37Å; S92-W100 WeakPolarHBondContact O-CA 3.25Å; Y93-W100 HydrophobicContact CD2-CB 4.38Å; Y93-W100 AromaticContact CD2-CD1 3.54Å; Y93-W100 AromaticContact CD2-CD2 3.44Å; Y93-W100 HydrophobicContact CD2-CD2 3.44Å; Y93-W100 VanDerWaalsContact CD2-CD2 3.44Å; Y93-W100 AromaticContact CD2-CE2 3.36Å; Y93-W100 HydrophobicContact CD2-CE3 4.08Å; Y93-W100 AromaticContact CD2-CG 3.56Å; Y93-W100 HydrophobicContact CD2-CG 3.56Å; Y93-W100 AromaticContact CD2-CZ2 3.97Å; Y93-W100 HydrophobicContact CD2-CZ2 3.97Å; Y93-W100 AromaticContact CD2-NE1 3.4Å; Y93-W100 AromaticContact CE2-CD1 3.6Å; Y93-W100 HydrophobicContact CE2-CD2 4.28Å; Y93-W100 AromaticContact CE2-CE2 3.95Å; Y93-W100 HydrophobicContact CE2-CG 4.08Å; Y93-W100 AromaticContact CE2-NE1 3.5Å; Y93-W100 HydrophobicContact CG-CD2 4.23Å; Y93-W100 HydrophobicContact CG-CE3 4.48Å; Y93-W100 HydrophobicContact CG-CZ2 4.31Å
101	I	96.4	Very high	91.6	Very high	73 Å²	73	58 Å²	58	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126	174.1	-56	172.9	0	0	0	107.2	Y91 S92 V99 L103	Y91-I101 CarbonylContact C-O 3.54Å; Y91-I101 VanDerWaalsContact CA-O 3.3Å; Y91-I101 WeakPolarHBondContact CA-O 3.38Å; S92-I101 PolarHBondContact N-O 2.81Å; S92-I101 PolarHBondContact O-N 2.87Å; V99-I101 HydrophobicContact CG1-CD1 4.5Å; V99-I101 HydrophobicContact CG1-CG1 4.39Å; I101-L103 HydrophobicContact CG2-CD2 4.31Å
102	V	96.2	Very high	91.5	Very high	43 Å²	43	59.3 Å²	59.3	26%	0.261	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.4	167.7	54.1	0	0	0	0	108.7	Y91 C104	Y91-V102 HydrophobicContact CD1-CB 3.77Å; Y91-V102 HydrophobicContact CD1-CG2 4.31Å; Y91-V102 HydrophobicContact CE1-CB 3.6Å; Y91-V102 HydrophobicContact CE1-CG2 3.97Å; V102-C104 WeakPolarHBondContact CG1-SG 3.42Å; V102-C104 PolarHBondContact O-N 2.76Å
103	L	93.8	Very high	91.4	Very high	44 Å²	44	61.1 Å²	61.1	23%	0.23	34%	0.34	C	S	.	.			trans	-84.6	66	179	-60.9	-176.5	0	0	0	109.7	Y75 L90 I101 H105 V106 F158	Y75-L103 HydrophobicContact CE1-CD1 4.39Å; L90-L103 HydrophobicContact CD2-CB 4.44Å; L90-L103 HydrophobicContact CD2-CD1 3.69Å; L90-L103 HydrophobicContact CG-CB 4.49Å; L90-L103 HydrophobicContact CG-CD1 3.94Å; L90-L103 PolarHBondContact O-N 3.2Å; I101-L103 HydrophobicContact CG2-CD2 4.31Å; L103-H105 PolarHBondContact O-N 3.15Å; L103-H105 VanDerWaalsContact O-N 3.14Å; L103-V106 HydrophobicContact CB-CG1 4.03Å; L103-V106 WeakPolarHBondContact O-CG1 3.32Å; L103-V106 WeakPolarHBondContact O-CG2 3.34Å; L103-V106 PolarHBondContact O-N 2.8Å; L103-F158 HydrophobicContact CD1-CE1 4.22Å; L103-F158 HydrophobicContact CD1-CZ 4.22Å
104	C	72.2	Confident	91.4	Very high	87 Å²	87	61.1 Å²	61.1	59%	0.588	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.9	-172.4	-51.8	0	0	0	0	115	V102 V106	V102-C104 WeakPolarHBondContact CG1-SG 3.42Å; V102-C104 PolarHBondContact O-N 2.76Å; C104-V106 VanDerWaalsContact C-N 3.32Å
105	H	66.6	Low	91.4	Very high	157 Å²	157	60.8 Å²	60.8	73%	0.727	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	36.7	-175.5	-57.6	85	0	0	0	110.9	L103 N107	L103-H105 PolarHBondContact O-N 3.15Å; L103-H105 VanDerWaalsContact O-N 3.14Å; H105-N107 PolarHBondContact O-N 2.69Å; H105-N107 VanDerWaalsContact O-N 3.12Å; H105-N107 PolarHBondContact O-ND2 3.11Å
106	V	74.2	Confident	91.4	Very high	34 Å²	34	62 Å²	62	21%	0.206	34%	0.343	C	S	.	.			trans	-66.4	110.2	170	-82.8	0	0	0	0	108.8	L90 L103 C104 V110 F158	L90-V106 HydrophobicContact CD2-CG1 3.94Å; L103-V106 HydrophobicContact CB-CG1 4.03Å; L103-V106 WeakPolarHBondContact O-CG1 3.32Å; L103-V106 WeakPolarHBondContact O-CG2 3.34Å; L103-V106 PolarHBondContact O-N 2.8Å; C104-V106 VanDerWaalsContact C-N 3.32Å; V106-V110 HydrophobicContact CG2-CG2 4.42Å; V106-F158 HydrophobicContact CB-CE2 4.25Å; V106-F158 HydrophobicContact CG1-CD2 4.11Å; V106-F158 HydrophobicContact CG1-CE2 3.33Å; V106-F158 HydrophobicContact CG1-CZ 3.92Å
107	N	84.5	Confident	91.5	Very high	99 Å²	99	57.3 Å²	57.3	53%	0.529	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	172.5	177.6	-65.1	-56.3	0	0	0	110.8	H105 A163 S164 W165	H105-N107 PolarHBondContact O-N 2.69Å; H105-N107 VanDerWaalsContact O-N 3.12Å; H105-N107 PolarHBondContact O-ND2 3.11Å; N107-A163 PolarHBondContact N-O 3.26Å; N107-S164 CarbonylContact O-C 3.54Å; N107-S164 WeakPolarHBondContact O-CA 3.3Å; N107-S164 PolarHBondContact O-OG 3.21Å; N107-W165 PolarHBondContact O-N 3.08Å
108	G	89.6	Confident	91.6	Very high	54 Å²	54	48.5 Å²	48.5	56%	0.557	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	84.8	-153.4	171.2	0	0	0	0	0	114.1	V110 W165	G108-V110 PolarHBondContact O-N 2.97Å; G108-V110 VanDerWaalsContact O-N 3.11Å; G108-W165 WeakPolarHBondContact CA-O 3.31Å
109	L	92.9	Very high	91.7	Very high	104 Å²	104	47.6 Å²	47.6	55%	0.545	28%	0.276	S	S	.	.	S	Bend	trans	-85.2	81.2	-175.7	-68.6	175.3	0	0	0	110.1	W165 Q167	L109-W165 PolarHBondContact N-O 3.07Å; L109-W165 VanDerWaalsContact O-CB 3.25Å; L109-W165 WeakPolarHBondContact O-CB 3.3Å; L109-Q167 HydrophobicContact CD1-CB 3.96Å
110	V	93.9	Very high	91.8	Very high	59 Å²	59	46.5 Å²	46.5	36%	0.358	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-64.6	130.8	-178.8	-172.8	0	0	0	0	110	V106 G108	V106-V110 HydrophobicContact CG2-CG2 4.42Å; G108-V110 PolarHBondContact O-N 2.97Å; G108-V110 VanDerWaalsContact O-N 3.11Å
111	P	95.8	Very high	91.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-59.5	142.8	174.7	-16.9	26.5	0	0	0	111.3	F77 N88 F156 W165	F77-P111 HydrophobicContact CE1-CB 4.39Å; F77-P111 HydrophobicContact CE2-CG 4.43Å; F77-P111 HydrophobicContact CZ-CB 3.81Å; F77-P111 HydrophobicContact CZ-CG 4.03Å; N88-P111 WeakPolarHBondContact CB-O 3.3Å; N88-P111 PolarHBondContact ND2-O 2.79Å; P111-F156 HydrophobicContact CB-CD2 4Å; P111-F156 HydrophobicContact CB-CE1 4.41Å; P111-F156 HydrophobicContact CB-CE2 3.84Å; P111-F156 HydrophobicContact CB-CG 4.34Å; P111-F156 HydrophobicContact CB-CZ 4.08Å; P111-F156 HydrophobicContact CG-CB 4.16Å; P111-F156 HydrophobicContact CG-CD1 3.93Å; P111-F156 HydrophobicContact CG-CD2 3.86Å; P111-F156 HydrophobicContact CG-CE1 4.25Å; P111-F156 HydrophobicContact CG-CE2 4.16Å; P111-F156 HydrophobicContact CG-CG 3.73Å; P111-F156 HydrophobicContact CG-CZ 4.36Å; P111-W165 HydrophobicContact CG-CD2 4.02Å; P111-W165 HydrophobicContact CG-CE3 3.95Å; P111-W165 HydrophobicContact CG-CH2 4.28Å; P111-W165 HydrophobicContact CG-CZ2 4.34Å; P111-W165 HydrophobicContact CG-CZ3 4.09Å
112	S	95.5	Very high	91.7	Very high	47 Å²	47	43.8 Å²	43.8	33%	0.329	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-62.2	161.1	173.5	64.1	0	0	0	0	111.9	R114	S112-R114 WeakPolarHBondContact O-CG 3.5Å; S112-R114 PolarHBondContact O-N 2.76Å; S112-R114 PolarHBondContact O-NE 3.18Å; S112-R114 PolarHBondContact OG-NH2 2.84Å
113	P	96	Very high	91.7	Very high	51 Å²	51	48.5 Å²	48.5	33%	0.331	28%	0.275	S	S	.	.	S	Bend	trans	-49.4	129.5	170.7	-29	37.1	0	0	0	112.9	L86 L87 N88	L86-P113 HydrophobicContact CB-CB 3.64Å; L86-P113 WeakPolarHBondContact O-CB 3.24Å; L87-P113 WeakPolarHBondContact O-CA 3.5Å; N88-P113 HydrophobicContact CB-CB 4.48Å; N88-P113 HydrophobicContact CB-CG 4.18Å
114	R	96.7	Very high	91.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.289	C	S	.	.			trans	-162.7	163	-173	59.6	-174.5	70.1	-151.2	-1	113.6	F77 G79 L87 S112 C117 G130 D132 V133 E154	F77-R114 HydrophobicContact CE1-CG 3.71Å; G79-R114 PolarHBondContact N-O 3.3Å; L87-R114 PolarHBondContact O-N 2.79Å; S112-R114 WeakPolarHBondContact O-CG 3.5Å; S112-R114 PolarHBondContact O-N 2.76Å; S112-R114 PolarHBondContact O-NE 3.18Å; S112-R114 PolarHBondContact OG-NH2 2.84Å; R114-C117 WeakPolarHBondContact CD-SG 3.33Å; R114-C117 WeakPolarHBondContact CG-SG 3.3Å; R114-G130 PolarHBondContact NH1-O 2.87Å; R114-D132 VanDerWaalsContact CA-O 3.25Å; R114-D132 WeakPolarHBondContact CA-O 3.37Å; R114-V133 HydrophobicContact CB-CG1 4.04Å; R114-E154 IonicContact CZ-OE2 3.77Å; R114-E154 IonicContact NH1-OE2 3.97Å; R114-E154 PolarHBondContact NH1-OE2 2.97Å; R114-E154 IonicContact NH2-OE2 3.96Å; R114-E154 PolarHBondContact NH2-OE2 2.85Å
115	R	97	Very high	92.9	Very high	24 Å²	24	47.3 Å²	47.3	9%	0.091	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-132	169.9	175.2	62	169.8	170.8	-177.8	2.1	111.4	E64 V80 L86 C117 G131 D132 H144	E64-R115 HydrophobicContact CB-CB 3.96Å; E64-R115 IonicContact OE1-NH1 3.76Å; E64-R115 WeakPolarHBondContact OE2-CD 3.19Å; E64-R115 IonicContact OE2-CZ 3.54Å; E64-R115 IonicContact OE2-NE 3.62Å; E64-R115 IonicContact OE2-NH1 2.75Å; E64-R115 PolarHBondContact OE2-NH1 2.87Å; V80-R115 HydrophobicContact CG2-CB 4.11Å; V80-R115 HydrophobicContact CG2-CG 4.38Å; L86-R115 HydrophobicContact CD2-CB 3.9Å; L86-R115 HydrophobicContact CD2-CG 3.74Å; R115-C117 VanDerWaalsContact C-N 3.26Å; R115-C117 PolarHBondContact O-N 2.92Å; R115-G131 CarbonylContact O-C 3.53Å; R115-G131 WeakPolarHBondContact O-CA 3.18Å; R115-D132 HydrophobicContact CG-CB 3.88Å; R115-D132 IonicContact CZ-OD2 3.31Å; R115-D132 VanDerWaalsContact CZ-OD2 3.31Å; R115-D132 PolarHBondContact N-O 3.2Å; R115-D132 IonicContact NE-OD2 2.84Å; R115-D132 PolarHBondContact NE-OD2 2.71Å; R115-D132 IonicContact NH2-OD2 2.88Å; R115-D132 PolarHBondContact NH2-OD2 3.31Å; R115-D132 PolarHBondContact O-N 3.1Å; R115-H144 PolarHBondContact NH1-O 2.98Å; R115-H144 VanDerWaalsContact NH1-O 3.12Å; R115-H144 PolarHBondContact NH2-O 3.29Å
116	L	96.6	Very high	94.3	Very high	54 Å²	54	39.8 Å²	39.8	28%	0.283	23%	0.23	S	C	.	.	S	Bend	trans	53.7	40.8	171.3	-55.7	173.6	0	0	0	113.2	E64 C180 A181	E64-L116 HydrophobicContact CB-CD2 3.74Å; E64-L116 HydrophobicContact CB-CG 4.07Å; E64-L116 HydrophobicContact CG-CD2 3.87Å; E64-L116 HydrophobicContact CG-CG 4.4Å; E64-L116 PolarHBondContact O-N 2.84Å; L116-C180 HydrophobicContact CB-CB 4.35Å; L116-A181 HydrophobicContact CB-CB 4.47Å; L116-A181 PolarHBondContact O-N 2.87Å
117	C	97.3	Very high	95.4	Very high	12 Å²	12	38.6 Å²	38.6	8%	0.081	22%	0.222	C	C	.	.			trans	-83.5	151.6	-178.4	-48.6	0	0	0	0	111.3	R114 R115 F119 L128	R114-C117 WeakPolarHBondContact CD-SG 3.33Å; R114-C117 WeakPolarHBondContact CG-SG 3.3Å; R115-C117 VanDerWaalsContact C-N 3.26Å; R115-C117 PolarHBondContact O-N 2.92Å; C117-F119 PolarHBondContact O-N 3.46Å; C117-L128 HydrophobicContact CB-CD1 4.19Å; C117-L128 HydrophobicContact CB-CD2 4.38Å; C117-L128 HydrophobicContact CB-CG 4.02Å
118	G	97.6	Very high	96	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.6	159.2	0	0	0	0	0	108.7	L128 Y129 C182	G118-L128 CarbonylContact O-C 3.59Å; G118-L128 VanDerWaalsContact O-CA 3.31Å; G118-L128 WeakPolarHBondContact O-CA 3.31Å; G118-Y129 PolarHBondContact N-O 3.23Å; G118-Y129 PolarHBondContact O-N 2.96Å; G118-C182 PolarHBondContact N-SG 2.89Å
119	F	98.3	Very high	96.4	Very high	18 Å²	18	31.6 Å²	31.6	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.1	-172.8	-161.7	-119.1	0	0	0	112.3	T68 F77 L90 C117 I126 F127 L128 W165	T68-F119 HydrophobicContact CG2-CD1 3.74Å; T68-F119 HydrophobicContact CG2-CE1 3.55Å; T68-F119 HydrophobicContact CG2-CZ 4.36Å; F77-F119 HydrophobicContact CB-CE1 4.24Å; F77-F119 HydrophobicContact CB-CE2 3.85Å; F77-F119 HydrophobicContact CB-CZ 3.59Å; F77-F119 HydrophobicContact CG-CE2 4.39Å; L90-F119 HydrophobicContact CD1-CZ 4.38Å; C117-F119 PolarHBondContact O-N 3.46Å; F119-I126 HydrophobicContact CD2-CG2 3.94Å; F119-I126 HydrophobicContact CE1-CG2 4.09Å; F119-I126 HydrophobicContact CE2-CG2 3.25Å; F119-I126 HydrophobicContact CZ-CG2 3.35Å; F119-F127 WeakPolarHBondContact CA-O 3.29Å; F119-L128 HydrophobicContact CD2-CB 3.85Å; F119-L128 HydrophobicContact CD2-CD1 3.94Å; F119-L128 HydrophobicContact CD2-CG 4.12Å; F119-L128 HydrophobicContact CE2-CB 4.14Å; F119-L128 HydrophobicContact CE2-CD1 4.01Å; F119-W165 HydrophobicContact CE2-CH2 4.42Å
120	T	98.2	Very high	96.6	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.08	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.2	179.3	-166.9	0	0	0	0	110.7	T68 I126 F127 L184 W186	T68-T120 WeakPolarHBondContact OG1-CA 3.27Å; T120-I126 CarbonylContact O-C 3.57Å; T120-F127 HydrophobicContact CG2-CB 4.06Å; T120-F127 HydrophobicContact CG2-CD2 4.39Å; T120-F127 PolarHBondContact N-O 3.48Å; T120-F127 PolarHBondContact O-N 2.93Å; T120-L184 HydrophobicContact CG2-CD2 3.96Å; T120-L184 HydrophobicContact CG2-CG 3.83Å; T120-W186 HydrophobicContact CG2-CB 4.03Å; T120-W186 WeakPolarHBondContact OG1-CB 3.49Å; T120-W186 PolarHBondContact OG1-N 2.84Å
121	A	97.7	Very high	96.7	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.2	170.8	0	0	0	0	0	112.3	T68 A125 I126 W186	T68-A121 HydrophobicContact CG2-CB 3.7Å; T68-A121 PolarHBondContact OG1-N 2.89Å; A121-A125 CarbonylContact C-O 3.55Å; A121-A125 WeakPolarHBondContact CA-O 3.44Å; A121-I126 HydrophobicContact CB-CG1 4.36Å; A121-W186 VanDerWaalsContact O-CB 3.28Å; A121-W186 WeakPolarHBondContact O-CB 3.28Å
122	S	96.4	Very high	96.7	Very high	8 Å²	8	24.2 Å²	24.2	6%	0.056	13%	0.13	C	C	.	.			trans	-96.4	-174.1	157.2	77.4	0	0	0	0	109.3	S70 D124 A125	S70-S122 WeakPolarHBondContact CB-O 3.38Å; S70-S122 PolarHBondContact OG-O 3.39Å; S122-D124 PolarHBondContact O-N 3.16Å; S122-D124 PolarHBondContact OG-N 2.93Å; S122-D124 VanDerWaalsContact OG-N 3.09Å; S122-A125 PolarHBondContact N-O 3.48Å; S122-A125 PolarHBondContact OG-N 2.83Å; S122-A125 PolarHBondContact OG-O 3.42Å
123	K	95.1	Very high	96.7	Very high	143 Å²	143	24 Å²	24	62%	0.622	13%	0.127	S	C	*	.	S	Bend	trans	-67.3	-21.2	171.2	63.5	166.2	-162.9	176.3	0	113.8	F160	K123-F160 WeakPolarHBondContact O-CD2 3.12Å; K123-F160 WeakPolarHBondContact O-CE2 3.48Å
124	D	94.8	Very high	96.2	Very high	98 Å²	98	22.6 Å²	22.6	52%	0.524	12%	0.121	S	C	.	.	S	Bend	trans	-114.9	-21.3	-169.8	-55.5	-47.4	0	0	0	113.2	S122 F160	S122-D124 PolarHBondContact O-N 3.16Å; S122-D124 PolarHBondContact OG-N 2.93Å; S122-D124 VanDerWaalsContact OG-N 3.09Å; D124-F160 VanDerWaalsContact C-CE2 3.46Å; D124-F160 WeakPolarHBondContact O-CD2 3.29Å; D124-F160 WeakPolarHBondContact O-CG 3.5Å; D124-F160 PolarHBondContact O-N 3.19Å
125	A	95.7	Very high	95.1	Very high	7 Å²	7	27.5 Å²	27.5	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161	-174.3	0	0	0	0	0	113.2	A121 S122 F127 F158 T159	A121-A125 CarbonylContact C-O 3.55Å; A121-A125 WeakPolarHBondContact CA-O 3.44Å; S122-A125 PolarHBondContact N-O 3.48Å; S122-A125 PolarHBondContact OG-N 2.83Å; S122-A125 PolarHBondContact OG-O 3.42Å; A125-F127 HydrophobicContact CB-CE2 4.19Å; A125-F127 HydrophobicContact CB-CZ 4.17Å; A125-F158 CarbonylContact C-O 3.58Å; A125-F158 WeakPolarHBondContact CA-O 3.45Å; A125-F158 VanDerWaalsContact CB-O 3.3Å; A125-F158 WeakPolarHBondContact CB-O 3.2Å; A125-T159 HydrophobicContact CB-CG2 4.34Å
126	I	97.3	Very high	93	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147.6	164.6	-55	166.8	0	0	0	108.3	T68 Y75 L90 F119 T120 A121 S157 F158 F160	T68-I126 HydrophobicContact CG2-CG2 4.38Å; Y75-I126 HydrophobicContact CD1-CD1 3.5Å; Y75-I126 VanDerWaalsContact CD1-CD1 3.5Å; Y75-I126 HydrophobicContact CD2-CD1 4.11Å; Y75-I126 HydrophobicContact CD2-CG1 4.41Å; Y75-I126 HydrophobicContact CE1-CD1 4.09Å; Y75-I126 HydrophobicContact CG-CD1 3.49Å; Y75-I126 VanDerWaalsContact CG-CD1 3.49Å; Y75-I126 HydrophobicContact CG-CG1 4.24Å; L90-I126 HydrophobicContact CD1-CD1 4.21Å; L90-I126 HydrophobicContact CD2-CD1 4.48Å; F119-I126 HydrophobicContact CD2-CG2 3.94Å; F119-I126 HydrophobicContact CE1-CG2 4.09Å; F119-I126 HydrophobicContact CE2-CG2 3.25Å; F119-I126 HydrophobicContact CZ-CG2 3.35Å; T120-I126 CarbonylContact O-C 3.57Å; A121-I126 HydrophobicContact CB-CG1 4.36Å; I126-S157 CarbonylContact O-C 3.56Å; I126-S157 WeakPolarHBondContact O-CA 3.25Å; I126-F158 HydrophobicContact CB-CB 4.22Å; I126-F158 HydrophobicContact CD1-CD1 4.06Å; I126-F158 PolarHBondContact N-O 2.99Å; I126-F158 PolarHBondContact O-N 2.93Å; I126-F160 HydrophobicContact CD1-CE1 3.93Å; I126-F160 HydrophobicContact CG1-CE1 3.59Å; I126-F160 HydrophobicContact CG1-CZ 3.85Å
127	F	97.3	Very high	90.4	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.2	173.7	-61.5	-84.3	0	0	0	110	F119 T120 A125 F155 F156 I168 L184 W186 C191 Y210 P212	F119-F127 WeakPolarHBondContact CA-O 3.29Å; T120-F127 HydrophobicContact CG2-CB 4.06Å; T120-F127 HydrophobicContact CG2-CD2 4.39Å; T120-F127 PolarHBondContact N-O 3.48Å; T120-F127 PolarHBondContact O-N 2.93Å; A125-F127 HydrophobicContact CB-CE2 4.19Å; A125-F127 HydrophobicContact CB-CZ 4.17Å; F127-F155 HydrophobicContact CB-CE2 4.04Å; F127-F155 HydrophobicContact CB-CZ 4.43Å; F127-F155 HydrophobicContact CD1-CE2 4.31Å; F127-F155 HydrophobicContact CD1-CZ 4.07Å; F127-F156 WeakPolarHBondContact CA-O 3.38Å; F127-I168 HydrophobicContact CD1-CD1 3.91Å; F127-I168 HydrophobicContact CE1-CD1 4.05Å; F127-L184 HydrophobicContact CB-CD2 4.12Å; F127-W186 HydrophobicContact CD2-CE3 4.06Å; F127-W186 HydrophobicContact CD2-CZ3 4.17Å; F127-W186 AromaticContact CE2-CE3 3.7Å; F127-W186 HydrophobicContact CE2-CE3 3.7Å; F127-W186 HydrophobicContact CE2-CH2 4.17Å; F127-W186 AromaticContact CE2-CZ3 3.41Å; F127-W186 HydrophobicContact CE2-CZ3 3.41Å; F127-W186 VanDerWaalsContact CE2-CZ3 3.41Å; F127-W186 HydrophobicContact CZ-CE3 4.49Å; F127-W186 HydrophobicContact CZ-CH2 4.41Å; F127-W186 AromaticContact CZ-CZ3 3.8Å; F127-W186 HydrophobicContact CZ-CZ3 3.8Å; F127-C191 VanDerWaalsContact CD2-SG 3.52Å; F127-C191 WeakPolarHBondContact CG-SG 3.4Å; F127-Y210 AromaticContact CE1-CE1 3.99Å; F127-Y210 HydrophobicContact CE1-CE1 3.99Å; F127-P212 HydrophobicContact CE1-CG 4.29Å; F127-P212 HydrophobicContact CZ-CG 3.92Å
128	L	97.7	Very high	87.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.9	178.9	-178.4	150.3	0	0	0	109.6	F77 C117 G118 F119 F155 F156 W165	F77-L128 HydrophobicContact CD1-CD1 3.24Å; F77-L128 HydrophobicContact CE1-CD1 3.35Å; F77-L128 HydrophobicContact CG-CD1 3.98Å; F77-L128 HydrophobicContact CZ-CD1 4.16Å; C117-L128 HydrophobicContact CB-CD1 4.19Å; C117-L128 HydrophobicContact CB-CD2 4.38Å; C117-L128 HydrophobicContact CB-CG 4.02Å; G118-L128 CarbonylContact O-C 3.59Å; G118-L128 VanDerWaalsContact O-CA 3.31Å; G118-L128 WeakPolarHBondContact O-CA 3.31Å; F119-L128 HydrophobicContact CD2-CB 3.85Å; F119-L128 HydrophobicContact CD2-CD1 3.94Å; F119-L128 HydrophobicContact CD2-CG 4.12Å; F119-L128 HydrophobicContact CE2-CB 4.14Å; F119-L128 HydrophobicContact CE2-CD1 4.01Å; L128-F155 VanDerWaalsContact O-CD2 3.26Å; L128-F155 WeakPolarHBondContact O-CD2 3.23Å; L128-F156 HydrophobicContact CB-CB 4.4Å; L128-F156 HydrophobicContact CD2-CD2 3.89Å; L128-F156 PolarHBondContact N-O 2.87Å; L128-F156 PolarHBondContact O-N 3.04Å; L128-W165 HydrophobicContact CB-CH2 4.32Å; L128-W165 HydrophobicContact CB-CZ3 4.21Å
129	Y	96.9	Very high	84.8	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.4	175.2	-172	-92.2	0	0	0	111.5	G118 G153 F155 P176 P177 L179 L193	G118-Y129 PolarHBondContact N-O 3.23Å; G118-Y129 PolarHBondContact O-N 2.96Å; Y129-G153 WeakPolarHBondContact CE2-O 3.4Å; Y129-G153 PolarHBondContact OH-O 2.89Å; Y129-F155 HydrophobicContact CD2-CB 3.68Å; Y129-F155 AromaticContact CD2-CD2 3.76Å; Y129-F155 HydrophobicContact CD2-CD2 3.76Å; Y129-F155 AromaticContact CD2-CG 3.79Å; Y129-F155 HydrophobicContact CD2-CG 3.79Å; Y129-F155 HydrophobicContact CE2-CB 4.06Å; Y129-F155 HydrophobicContact CE2-CG 4.5Å; Y129-F155 HydrophobicContact CG-CD2 4.37Å; Y129-P176 HydrophobicContact CE1-CB 4.13Å; Y129-P176 HydrophobicContact CE1-CG 4.47Å; Y129-P176 HydrophobicContact CE2-CB 4.23Å; Y129-P176 HydrophobicContact CE2-CG 3.81Å; Y129-P176 VanDerWaalsContact OH-C 3.22Å; Y129-P176 VanDerWaalsContact OH-CB 3.29Å; Y129-P176 WeakPolarHBondContact OH-CB 3.41Å; Y129-P176 PolarHBondContact OH-O 2.84Å; Y129-P177 PolarHBondContact OH-O 3.44Å; Y129-L179 HydrophobicContact CE1-CB 4.35Å; Y129-L179 HydrophobicContact CE1-CD1 4.48Å; Y129-L193 HydrophobicContact CD1-CD1 3.73Å; Y129-L193 HydrophobicContact CD1-CD2 3.53Å; Y129-L193 HydrophobicContact CD1-CG 4.3Å; Y129-L193 HydrophobicContact CD2-CD2 4.42Å; Y129-L193 HydrophobicContact CE1-CD1 4.48Å; Y129-L193 HydrophobicContact CE1-CD2 3.54Å; Y129-L193 HydrophobicContact CE2-CD2 4.45Å; Y129-L193 HydrophobicContact CG-CD1 4.17Å; Y129-L193 HydrophobicContact CG-CD2 4.01Å
130	G	96.2	Very high	81.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.302	C	S	.	.			trans	57.9	-132.6	169.7	0	0	0	0	0	114.4	R114 S152 E154 L179	R114-G130 PolarHBondContact NH1-O 2.87Å; G130-S152 WeakPolarHBondContact CA-O 3.29Å; G130-E154 PolarHBondContact N-O 3.06Å; G130-L179 WeakPolarHBondContact CA-O 3.25Å
131	G	96.7	Very high	78.9	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.333	C	S	.	.			trans	97.8	162	-172	0	0	0	0	0	113.1	R115 S151 S152 L179	R115-G131 CarbonylContact O-C 3.53Å; R115-G131 WeakPolarHBondContact O-CA 3.18Å; G131-S151 CarbonylContact O-C 3.55Å; G131-S151 WeakPolarHBondContact O-CA 3.26Å; G131-S152 PolarHBondContact O-N 2.76Å; G131-L179 PolarHBondContact N-O 2.7Å
132	D	95.6	Very high	76.3	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.043	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-83.2	117.8	173.4	175.6	22.7	0	0	0	109.1	R114 R115 G134 S150 C180	R114-D132 VanDerWaalsContact CA-O 3.25Å; R114-D132 WeakPolarHBondContact CA-O 3.37Å; R115-D132 HydrophobicContact CG-CB 3.88Å; R115-D132 IonicContact CZ-OD2 3.31Å; R115-D132 VanDerWaalsContact CZ-OD2 3.31Å; R115-D132 PolarHBondContact N-O 3.2Å; R115-D132 IonicContact NE-OD2 2.84Å; R115-D132 PolarHBondContact NE-OD2 2.71Å; R115-D132 IonicContact NH2-OD2 2.88Å; R115-D132 PolarHBondContact NH2-OD2 3.31Å; R115-D132 PolarHBondContact O-N 3.1Å; D132-G134 PolarHBondContact OD1-N 2.99Å; D132-S150 WeakPolarHBondContact CA-O 3.26Å; D132-S150 WeakPolarHBondContact OD1-CA 3.22Å; D132-S150 PolarHBondContact OD1-N 3.23Å; D132-C180 HydrophobicContact CB-CB 4.04Å
133	V	95	Very high	73.8	Confident	43 Å²	43	63.9 Å²	63.9	26%	0.261	39%	0.388	S	S	.	.			trans	-94.9	2.5	-179.4	-63.2	0	0	0	0	112.7	L86 R114 S150	L86-V133 VanDerWaalsContact CD1-O 3.26Å; L86-V133 WeakPolarHBondContact CD1-O 3.17Å; R114-V133 HydrophobicContact CB-CG1 4.04Å; V133-S150 VanDerWaalsContact CG2-O 3.23Å; V133-S150 WeakPolarHBondContact CG2-O 3.38Å; V133-S150 PolarHBondContact N-O 3.02Å
134	G	87	Confident	71.7	Confident	21 Å²	21	60.9 Å²	60.9	22%	0.216	38%	0.375	C	S	.	.			trans	72.7	151.7	-176.5	0	0	0	0	0	112.9	D132 S150	D132-G134 PolarHBondContact OD1-N 2.99Å; G134-S150 WeakPolarHBondContact O-CB 3.06Å; G134-S150 PolarHBondContact O-OG 2.88Å
135	L	73.9	Confident	69.7	Low	104 Å²	104	62 Å²	62	55%	0.545	38%	0.376	S	S	.	.			trans	-79.4	133.6	168.8	-63.5	170.9	0	0	0	108.1	S137	L135-S137 PolarHBondContact O-N 2.82Å
136	N	52.2	Low	67.7	Low	177 Å²	177	73.1 Å²	73.1	95%	0.947	42%	0.416	S	S	*	.			trans	-64.5	69.2	172.7	-71.6	-26.5	0	0	0	110.9
137	S	42.5	Very low	66.2	Low	75 Å²	75	75.9 Å²	75.9	52%	0.524	44%	0.436	S	S	.	.			trans	-125.4	105.8	-172.8	-56.3	0	0	0	0	109.3	L135 S139	L135-S137 PolarHBondContact O-N 2.82Å; S137-S139 PolarHBondContact O-N 2.75Å
138	S	40.2	Very low	65.2	Low	133 Å²	133	80.6 Å²	80.6	93%	0.93	46%	0.461	S	S	*	.			trans	-59.8	30.5	166.6	-57.7	0	0	0	0	114.3
139	S	36.9	Very low	64.3	Low	91 Å²	91	81.2 Å²	81.2	64%	0.636	47%	0.465	S	S	*	.			trans	-100.4	89.2	177.9	52.2	0	0	0	0	109.7	S137 V141	S137-S139 PolarHBondContact O-N 2.75Å; S139-V141 PolarHBondContact O-N 2.93Å
140	T	34	Very low	63.9	Low	123 Å²	123	82.3 Å²	82.3	76%	0.755	47%	0.473	S	S	*	.			trans	0.4	111	141	-40.5	0	0	0	0	114.9
141	V	38.1	Very low	63.7	Low	120 Å²	120	82.6 Å²	82.6	73%	0.727	48%	0.476	S	S	*	.	S	Bend	trans	69.7	113.9	142	-174.8	0	0	0	0	117.2	S139	S139-V141 PolarHBondContact O-N 2.93Å
142	S	42.1	Very low	63.5	Low	107 Å²	107	83.3 Å²	83.3	75%	0.748	48%	0.48	S	S	*	.	S	Bend	trans	105.1	6	143.9	76.6	0	0	0	0	122.4
143	S	43.6	Very low	63.4	Low	78 Å²	78	84.5 Å²	84.5	55%	0.545	49%	0.494	S	S	.	.			trans	-120.9	37.5	176.3	61.8	0	0	0	0	115.5	F145 R146	S143-F145 PolarHBondContact O-N 2.9Å; S143-R146 PolarHBondContact O-N 3.38Å
144	H	51.2	Low	63.3	Low	79 Å²	79	85.4 Å²	85.4	37%	0.366	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.9	179.7	-75.1	71.9	0	0	0	116.2	G84 R115	G84-H144 WeakPolarHBondContact CA-NE2 3.3Å; G84-H144 PolarHBondContact O-NE2 3.21Å; R115-H144 PolarHBondContact NH1-O 2.98Å; R115-H144 VanDerWaalsContact NH1-O 3.12Å; R115-H144 PolarHBondContact NH2-O 3.29Å
145	F	54.2	Low	63.7	Low	123 Å²	123	85 Å²	85	54%	0.539	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-3.3	-171.8	-64.6	-72.9	0	0	0	115.6	S143	S143-F145 PolarHBondContact O-N 2.9Å
146	R	52.9	Low	64.7	Low	239 Å²	239	80.3 Å²	80.3	90%	0.902	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	-1.7	-175	-69.8	-169.3	-178.4	-139.1	1.4	115.5	S143	S143-R146 PolarHBondContact O-N 3.38Å
147	S	65.2	Low	66.8	Low	59 Å²	59	72.6 Å²	72.6	41%	0.413	42%	0.424	S	S	.	.	S	Bend	trans	-75.6	146	169.4	50.9	0	0	0	0	110.2
148	L	76.3	Confident	69.3	Low	107 Å²	107	69.3 Å²	69.3	56%	0.56	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-50.6	137.8	169.1	-77.2	167.9	0	0	0	109.8
149	P	79.7	Confident	71.9	Confident	13 Å²	13	64.9 Å²	64.9	8%	0.084	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-65.9	145.8	-177.8	27.6	-34.3	0	0	0	110.7	S151 C180 E197 N198 N199	P149-S151 VanDerWaalsContact C-N 3.34Å; P149-S151 PolarHBondContact O-N 3Å; P149-C180 WeakPolarHBondContact CB-SG 3.06Å; P149-E197 HydrophobicContact CG-CG 4.19Å; P149-N198 WeakPolarHBondContact CG-O 3.45Å; P149-N199 PolarHBondContact O-OD1 3.34Å; P149-N199 VanDerWaalsContact O-OD1 3.13Å
150	S	89	Confident	74.6	Confident	28 Å²	28	63 Å²	63	20%	0.196	35%	0.347	C	S	.	.			trans	-97	70.1	165.2	-160.3	0	0	0	0	108.3	D132 V133 G134	D132-S150 WeakPolarHBondContact CA-O 3.26Å; D132-S150 WeakPolarHBondContact OD1-CA 3.22Å; D132-S150 PolarHBondContact OD1-N 3.23Å; V133-S150 VanDerWaalsContact CG2-O 3.23Å; V133-S150 WeakPolarHBondContact CG2-O 3.38Å; V133-S150 PolarHBondContact N-O 3.02Å; G134-S150 WeakPolarHBondContact O-CB 3.06Å; G134-S150 PolarHBondContact O-OG 2.88Å
151	S	90.7	Very high	77.3	Confident	7 Å²	7	66.6 Å²	66.6	5%	0.049	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-68.1	135	-179.4	-49.7	0	0	0	0	111	G131 P149 P178 C180 E197 N199	G131-S151 CarbonylContact O-C 3.55Å; G131-S151 WeakPolarHBondContact O-CA 3.26Å; P149-S151 VanDerWaalsContact C-N 3.34Å; P149-S151 PolarHBondContact O-N 3Å; S151-P178 VanDerWaalsContact O-CB 3.23Å; S151-P178 WeakPolarHBondContact O-CB 3.19Å; S151-C180 PolarHBondContact OG-N 2.87Å; S151-C180 PolarHBondContact OG-SG 2.82Å; S151-C180 VanDerWaalsContact OG-SG 3.41Å; S151-E197 PolarHBondContact OG-O 3.27Å; S151-N199 VanDerWaalsContact CA-OD1 3.24Å; S151-N199 WeakPolarHBondContact CA-OD1 3.38Å; S151-N199 WeakPolarHBondContact CB-OD1 3.43Å; S151-N199 PolarHBondContact N-OD1 2.84Å; S151-N199 PolarHBondContact O-ND2 3.15Å; S151-N199 VanDerWaalsContact O-ND2 3.16Å; S151-N199 PolarHBondContact O-OD1 3.12Å; S151-N199 PolarHBondContact OG-OD1 3.29Å
152	S	92.8	Very high	79.9	Confident	14 Å²	14	63.6 Å²	63.6	10%	0.098	34%	0.343	C	S	.	.			trans	-92.5	149.2	171	175.3	0	0	0	0	111	G130 G131 E154 P178 L179	G130-S152 WeakPolarHBondContact CA-O 3.29Å; G131-S152 PolarHBondContact O-N 2.76Å; S152-E154 WeakPolarHBondContact OG-CB 3.33Å; S152-E154 WeakPolarHBondContact OG-CG 3.2Å; S152-E154 PolarHBondContact OG-N 3.18Å; S152-E154 PolarHBondContact OG-OE2 3.13Å; S152-P178 VanDerWaalsContact O-CA 3.3Å; S152-P178 WeakPolarHBondContact O-CA 3.34Å; S152-L179 PolarHBondContact O-N 3.02Å; S152-L179 VanDerWaalsContact O-N 3.08Å
153	G	92.8	Very high	82.3	Confident	33 Å²	33	60.4 Å²	60.4	34%	0.34	32%	0.324	S	S	.	.			trans	-102.2	8.1	169.9	0	0	0	0	0	113.1	Y129	Y129-G153 WeakPolarHBondContact CE2-O 3.4Å; Y129-G153 PolarHBondContact OH-O 2.89Å
154	E	94.3	Very high	84.7	Confident	63 Å²	63	57.7 Å²	57.7	29%	0.294	30%	0.304	S	S	.	.			trans	-71.7	141.2	-177.5	-61.7	164.6	118.9	0	0	111.3	R114 G130 S152 F156	R114-E154 IonicContact CZ-OE2 3.77Å; R114-E154 IonicContact NH1-OE2 3.97Å; R114-E154 PolarHBondContact NH1-OE2 2.97Å; R114-E154 IonicContact NH2-OE2 3.96Å; R114-E154 PolarHBondContact NH2-OE2 2.85Å; G130-E154 PolarHBondContact N-O 3.06Å; S152-E154 WeakPolarHBondContact OG-CB 3.33Å; S152-E154 WeakPolarHBondContact OG-CG 3.2Å; S152-E154 PolarHBondContact OG-N 3.18Å; S152-E154 PolarHBondContact OG-OE2 3.13Å; E154-F156 HydrophobicContact CB-CD2 4.16Å; E154-F156 HydrophobicContact CB-CE2 3.34Å; E154-F156 HydrophobicContact CB-CZ 3.81Å; E154-F156 HydrophobicContact CG-CE2 4.26Å; E154-F156 HydrophobicContact CG-CZ 4.33Å
155	F	95.2	Very high	86.8	Confident	12 Å²	12	54 Å²	54	5%	0.053	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.2	176.7	-169.2	-156.7	0	0	0	110.1	F127 L128 Y129 Q167 I168 L184 C191 Y210	F127-F155 HydrophobicContact CB-CE2 4.04Å; F127-F155 HydrophobicContact CB-CZ 4.43Å; F127-F155 HydrophobicContact CD1-CE2 4.31Å; F127-F155 HydrophobicContact CD1-CZ 4.07Å; L128-F155 VanDerWaalsContact O-CD2 3.26Å; L128-F155 WeakPolarHBondContact O-CD2 3.23Å; Y129-F155 HydrophobicContact CD2-CB 3.68Å; Y129-F155 AromaticContact CD2-CD2 3.76Å; Y129-F155 HydrophobicContact CD2-CD2 3.76Å; Y129-F155 AromaticContact CD2-CG 3.79Å; Y129-F155 HydrophobicContact CD2-CG 3.79Å; Y129-F155 HydrophobicContact CE2-CB 4.06Å; Y129-F155 HydrophobicContact CE2-CG 4.5Å; Y129-F155 HydrophobicContact CG-CD2 4.37Å; F155-Q167 CarbonylContact O-C 3.48Å; F155-Q167 WeakPolarHBondContact O-CA 3.05Å; F155-Q167 WeakPolarHBondContact O-CG 3.43Å; F155-I168 HydrophobicContact CB-CB 4.26Å; F155-I168 HydrophobicContact CD1-CB 3.68Å; F155-I168 HydrophobicContact CD1-CD1 3.82Å; F155-I168 HydrophobicContact CD1-CG1 4.36Å; F155-I168 HydrophobicContact CD1-CG2 3.64Å; F155-I168 HydrophobicContact CD2-CD1 4.43Å; F155-I168 HydrophobicContact CE1-CB 4.28Å; F155-I168 HydrophobicContact CE1-CD1 3.62Å; F155-I168 HydrophobicContact CE1-CG2 4.05Å; F155-I168 HydrophobicContact CE2-CD1 4.26Å; F155-I168 HydrophobicContact CG-CB 4.09Å; F155-I168 HydrophobicContact CG-CD1 4.21Å; F155-I168 HydrophobicContact CZ-CD1 3.85Å; F155-I168 PolarHBondContact O-N 2.95Å; F155-L184 HydrophobicContact CE2-CD2 4.35Å; F155-C191 HydrophobicContact CZ-CB 4.31Å; F155-Y210 AromaticContact CE1-CD1 3.52Å; F155-Y210 HydrophobicContact CE1-CD1 3.52Å; F155-Y210 AromaticContact CE1-CD2 3.97Å; F155-Y210 HydrophobicContact CE1-CD2 3.97Å; F155-Y210 HydrophobicContact CE1-CE1 4.03Å; F155-Y210 HydrophobicContact CE1-CE2 4.46Å; F155-Y210 AromaticContact CE1-CG 3.48Å; F155-Y210 HydrophobicContact CE1-CG 3.48Å; F155-Y210 VanDerWaalsContact CE1-CG 3.48Å; F155-Y210 AromaticContact CZ-CD1 3.77Å; F155-Y210 HydrophobicContact CZ-CD1 3.77Å; F155-Y210 HydrophobicContact CZ-CE1 4.35Å; F155-Y210 HydrophobicContact CZ-CG 4.1Å
156	F	95.4	Very high	88.7	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.022	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.8	-176	-61.5	-91.4	0	0	0	111.6	P111 F127 L128 E154 W165 K166 Q167	P111-F156 HydrophobicContact CB-CD2 4Å; P111-F156 HydrophobicContact CB-CE1 4.41Å; P111-F156 HydrophobicContact CB-CE2 3.84Å; P111-F156 HydrophobicContact CB-CG 4.34Å; P111-F156 HydrophobicContact CB-CZ 4.08Å; P111-F156 HydrophobicContact CG-CB 4.16Å; P111-F156 HydrophobicContact CG-CD1 3.93Å; P111-F156 HydrophobicContact CG-CD2 3.86Å; P111-F156 HydrophobicContact CG-CE1 4.25Å; P111-F156 HydrophobicContact CG-CE2 4.16Å; P111-F156 HydrophobicContact CG-CG 3.73Å; P111-F156 HydrophobicContact CG-CZ 4.36Å; F127-F156 WeakPolarHBondContact CA-O 3.38Å; L128-F156 HydrophobicContact CB-CB 4.4Å; L128-F156 HydrophobicContact CD2-CD2 3.89Å; L128-F156 PolarHBondContact N-O 2.87Å; L128-F156 PolarHBondContact O-N 3.04Å; E154-F156 HydrophobicContact CB-CD2 4.16Å; E154-F156 HydrophobicContact CB-CE2 3.34Å; E154-F156 HydrophobicContact CB-CZ 3.81Å; E154-F156 HydrophobicContact CG-CE2 4.26Å; E154-F156 HydrophobicContact CG-CZ 4.33Å; F156-W165 HydrophobicContact CB-CE3 3.75Å; F156-W165 HydrophobicContact CB-CZ3 3.8Å; F156-K166 CarbonylContact C-O 3.53Å; F156-K166 WeakPolarHBondContact CA-O 3.3Å; F156-Q167 HydrophobicContact CD1-CB 4.01Å; F156-Q167 HydrophobicContact CD1-CG 4.3Å; F156-Q167 HydrophobicContact CE1-CB 3.94Å; F156-Q167 HydrophobicContact CE1-CG 4.05Å; F156-Q167 HydrophobicContact CZ-CG 4.46Å
157	S	95.2	Very high	90.6	Very high	16 Å²	16	46.8 Å²	46.8	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.9	163.7	56.4	0	0	0	0	111.1	I126 W165 K166	I126-S157 CarbonylContact O-C 3.56Å; I126-S157 WeakPolarHBondContact O-CA 3.25Å; S157-W165 CarbonylContact O-C 3.56Å; S157-W165 WeakPolarHBondContact O-CA 3.47Å; S157-K166 PolarHBondContact N-O 2.83Å; S157-K166 PolarHBondContact O-N 2.87Å
158	F	95.8	Very high	91.8	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.2	168.8	178.4	-96.1	0	0	0	108.7	L90 L103 V106 A125 I126 F160 A163 W165	L90-F158 HydrophobicContact CD2-CD1 4.1Å; L90-F158 HydrophobicContact CD2-CD2 4.12Å; L90-F158 HydrophobicContact CD2-CE1 4.09Å; L90-F158 HydrophobicContact CD2-CE2 4.13Å; L90-F158 HydrophobicContact CD2-CG 4.1Å; L90-F158 HydrophobicContact CD2-CZ 4.09Å; L103-F158 HydrophobicContact CD1-CE1 4.22Å; L103-F158 HydrophobicContact CD1-CZ 4.22Å; V106-F158 HydrophobicContact CB-CE2 4.25Å; V106-F158 HydrophobicContact CG1-CD2 4.11Å; V106-F158 HydrophobicContact CG1-CE2 3.33Å; V106-F158 HydrophobicContact CG1-CZ 3.92Å; A125-F158 CarbonylContact C-O 3.58Å; A125-F158 WeakPolarHBondContact CA-O 3.45Å; A125-F158 VanDerWaalsContact CB-O 3.3Å; A125-F158 WeakPolarHBondContact CB-O 3.2Å; I126-F158 HydrophobicContact CB-CB 4.22Å; I126-F158 HydrophobicContact CD1-CD1 4.06Å; I126-F158 PolarHBondContact N-O 2.99Å; I126-F158 PolarHBondContact O-N 2.93Å; F158-F160 HydrophobicContact CD1-CD1 4.2Å; F158-F160 HydrophobicContact CD1-CE1 4.45Å; F158-F160 HydrophobicContact CE1-CD1 4.2Å; F158-A163 VanDerWaalsContact CZ-CA 3.49Å; F158-A163 HydrophobicContact CZ-CB 4.09Å; F158-W165 HydrophobicContact CB-CD2 3.71Å; F158-W165 HydrophobicContact CB-CE3 3.61Å; F158-W165 HydrophobicContact CB-CG 4.43Å; F158-W165 HydrophobicContact CB-CH2 3.86Å; F158-W165 HydrophobicContact CB-CZ2 3.95Å; F158-W165 HydrophobicContact CB-CZ3 3.69Å; F158-W165 AromaticContact CD2-CD1 3.76Å; F158-W165 AromaticContact CD2-CD2 3.92Å; F158-W165 HydrophobicContact CD2-CD2 3.92Å; F158-W165 AromaticContact CD2-CE2 3.83Å; F158-W165 AromaticContact CD2-CG 3.89Å; F158-W165 HydrophobicContact CD2-CG 3.89Å; F158-W165 HydrophobicContact CD2-CZ2 4.49Å; F158-W165 AromaticContact CD2-NE1 3.7Å; F158-W165 HydrophobicContact CG-CD2 4.28Å; F158-W165 HydrophobicContact CG-CZ2 4.42Å
159	T	94.4	Very high	92.2	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.5	179.2	57.8	0	0	0	0	110.7	A125 A162 A163 S164	A125-T159 HydrophobicContact CB-CG2 4.34Å; T159-A162 WeakPolarHBondContact OG1-CB 3.44Å; T159-A163 WeakPolarHBondContact O-CA 3.32Å; T159-A163 PolarHBondContact O-N 2.81Å; T159-S164 PolarHBondContact N-O 2.86Å
160	F	93.2	Very high	91.8	Very high	52 Å²	52	44.9 Å²	44.9	23%	0.228	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-38	-177.8	-58.5	-43.3	0	0	0	112.6	Y75 K123 D124 I126 F158	Y75-F160 HydrophobicContact CD2-CE1 4.48Å; Y75-F160 HydrophobicContact CE1-CD1 4.37Å; Y75-F160 AromaticContact CE1-CE1 3.8Å; Y75-F160 HydrophobicContact CE1-CE1 3.8Å; Y75-F160 AromaticContact CE2-CE1 3.77Å; Y75-F160 HydrophobicContact CE2-CE1 3.77Å; Y75-F160 AromaticContact CE2-CZ 3.79Å; Y75-F160 HydrophobicContact CE2-CZ 3.79Å; Y75-F160 AromaticContact CZ-CE1 3.36Å; Y75-F160 AromaticContact CZ-CZ 3.83Å; Y75-F160 WeakPolarHBondContact OH-CE1 3.23Å; K123-F160 WeakPolarHBondContact O-CD2 3.12Å; K123-F160 WeakPolarHBondContact O-CE2 3.48Å; D124-F160 VanDerWaalsContact C-CE2 3.46Å; D124-F160 WeakPolarHBondContact O-CD2 3.29Å; D124-F160 WeakPolarHBondContact O-CG 3.5Å; D124-F160 PolarHBondContact O-N 3.19Å; I126-F160 HydrophobicContact CD1-CE1 3.93Å; I126-F160 HydrophobicContact CG1-CE1 3.59Å; I126-F160 HydrophobicContact CG1-CZ 3.85Å; F158-F160 HydrophobicContact CD1-CD1 4.2Å; F158-F160 HydrophobicContact CD1-CE1 4.45Å; F158-F160 HydrophobicContact CE1-CD1 4.2Å
161	E	91.7	Very high	90.6	Very high	199 Å²	199	46.9 Å²	46.9	93%	0.93	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-47.3	-179.8	-175.8	179.8	-176	0	0	112.2
162	A	91.5	Very high	89.5	Confident	56 Å²	56	53 Å²	53	46%	0.463	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.7	-177.6	0	0	0	0	0	113.7	T159 S164	T159-A162 WeakPolarHBondContact OG1-CB 3.44Å; A162-S164 PolarHBondContact O-N 2.98Å
163	A	93.1	Very high	88.3	Confident	41 Å²	41	55.9 Å²	55.9	34%	0.339	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	45.2	-170.8	0	0	0	0	0	112.6	N107 F158 T159	N107-A163 PolarHBondContact N-O 3.26Å; F158-A163 VanDerWaalsContact CZ-CA 3.49Å; F158-A163 HydrophobicContact CZ-CB 4.09Å; T159-A163 WeakPolarHBondContact O-CA 3.32Å; T159-A163 PolarHBondContact O-N 2.81Å
164	S	93.8	Very high	87.4	Confident	20 Å²	20	56.9 Å²	56.9	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137	-168.8	-175	0	0	0	0	111.9	N107 T159 A162	N107-S164 CarbonylContact O-C 3.54Å; N107-S164 WeakPolarHBondContact O-CA 3.3Å; N107-S164 PolarHBondContact O-OG 3.21Å; T159-S164 PolarHBondContact N-O 2.86Å; A162-S164 PolarHBondContact O-N 2.98Å
165	W	95.6	Very high	86.9	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.9	172.8	-73.9	104.5	0	0	0	111.3	F77 L90 N107 G108 L109 P111 F119 L128 F156 S157 F158	F77-W165 HydrophobicContact CD2-CZ2 4.03Å; F77-W165 HydrophobicContact CE2-CZ2 4.08Å; L90-W165 HydrophobicContact CD1-CZ2 4.31Å; L90-W165 HydrophobicContact CD2-CZ2 3.93Å; N107-W165 PolarHBondContact O-N 3.08Å; G108-W165 WeakPolarHBondContact CA-O 3.31Å; L109-W165 PolarHBondContact N-O 3.07Å; L109-W165 VanDerWaalsContact O-CB 3.25Å; L109-W165 WeakPolarHBondContact O-CB 3.3Å; P111-W165 HydrophobicContact CG-CD2 4.02Å; P111-W165 HydrophobicContact CG-CE3 3.95Å; P111-W165 HydrophobicContact CG-CH2 4.28Å; P111-W165 HydrophobicContact CG-CZ2 4.34Å; P111-W165 HydrophobicContact CG-CZ3 4.09Å; F119-W165 HydrophobicContact CE2-CH2 4.42Å; L128-W165 HydrophobicContact CB-CH2 4.32Å; L128-W165 HydrophobicContact CB-CZ3 4.21Å; F156-W165 HydrophobicContact CB-CE3 3.75Å; F156-W165 HydrophobicContact CB-CZ3 3.8Å; S157-W165 CarbonylContact O-C 3.56Å; S157-W165 WeakPolarHBondContact O-CA 3.47Å; F158-W165 HydrophobicContact CB-CD2 3.71Å; F158-W165 HydrophobicContact CB-CE3 3.61Å; F158-W165 HydrophobicContact CB-CG 4.43Å; F158-W165 HydrophobicContact CB-CH2 3.86Å; F158-W165 HydrophobicContact CB-CZ2 3.95Å; F158-W165 HydrophobicContact CB-CZ3 3.69Å; F158-W165 AromaticContact CD2-CD1 3.76Å; F158-W165 AromaticContact CD2-CD2 3.92Å; F158-W165 HydrophobicContact CD2-CD2 3.92Å; F158-W165 AromaticContact CD2-CE2 3.83Å; F158-W165 AromaticContact CD2-CG 3.89Å; F158-W165 HydrophobicContact CD2-CG 3.89Å; F158-W165 HydrophobicContact CD2-CZ2 4.49Å; F158-W165 AromaticContact CD2-NE1 3.7Å; F158-W165 HydrophobicContact CG-CD2 4.28Å; F158-W165 HydrophobicContact CG-CZ2 4.42Å
166	K	93.1	Very high	86.5	Confident	126 Å²	126	58.9 Å²	58.9	55%	0.548	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.3	169.3	-66.7	-177.2	179.9	177.6	0	109.1	F156 S157	F156-K166 CarbonylContact C-O 3.53Å; F156-K166 WeakPolarHBondContact CA-O 3.3Å; S157-K166 PolarHBondContact N-O 2.83Å; S157-K166 PolarHBondContact O-N 2.87Å
167	Q	92.7	Very high	86.3	Confident	85 Å²	85	61 Å²	61	40%	0.397	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.2	166.9	-167.7	173.7	-0.5	0	0	108.8	L109 F155 F156	L109-Q167 HydrophobicContact CD1-CB 3.96Å; F155-Q167 CarbonylContact O-C 3.48Å; F155-Q167 WeakPolarHBondContact O-CA 3.05Å; F155-Q167 WeakPolarHBondContact O-CG 3.43Å; F156-Q167 HydrophobicContact CD1-CB 4.01Å; F156-Q167 HydrophobicContact CD1-CG 4.3Å; F156-Q167 HydrophobicContact CE1-CB 3.94Å; F156-Q167 HydrophobicContact CE1-CG 4.05Å; F156-Q167 HydrophobicContact CZ-CG 4.46Å
168	I	91.5	Very high	86.2	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.062	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.6	172.5	-62.4	166.2	0	0	0	106.7	F127 F155 Y210	F127-I168 HydrophobicContact CD1-CD1 3.91Å; F127-I168 HydrophobicContact CE1-CD1 4.05Å; F155-I168 HydrophobicContact CB-CB 4.26Å; F155-I168 HydrophobicContact CD1-CB 3.68Å; F155-I168 HydrophobicContact CD1-CD1 3.82Å; F155-I168 HydrophobicContact CD1-CG1 4.36Å; F155-I168 HydrophobicContact CD1-CG2 3.64Å; F155-I168 HydrophobicContact CD2-CD1 4.43Å; F155-I168 HydrophobicContact CE1-CB 4.28Å; F155-I168 HydrophobicContact CE1-CD1 3.62Å; F155-I168 HydrophobicContact CE1-CG2 4.05Å; F155-I168 HydrophobicContact CE2-CD1 4.26Å; F155-I168 HydrophobicContact CG-CB 4.09Å; F155-I168 HydrophobicContact CG-CD1 4.21Å; F155-I168 HydrophobicContact CZ-CD1 3.85Å; F155-I168 PolarHBondContact O-N 2.95Å; I168-Y210 HydrophobicContact CD1-CD1 4.48Å; I168-Y210 HydrophobicContact CD1-CE1 3.75Å; I168-Y210 HydrophobicContact CG2-CD2 4.27Å; I168-Y210 HydrophobicContact CG2-CE2 3.59Å
169	T	83.9	Confident	86.1	Confident	108 Å²	108	62.7 Å²	62.7	66%	0.663	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-98.3	124.4	173.1	-38	0	0	0	0	108.9
170	C	72.4	Confident	86.2	Confident	18 Å²	18	60.9 Å²	60.9	12%	0.122	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-88.8	120.6	177.7	-76.4	0	0	0	0	108.4	E175	C170-E175 HydrophobicContact CB-CB 4.21Å; C170-E175 HydrophobicContact CB-CG 3.59Å; C170-E175 WeakPolarHBondContact CB-OE1 3.15Å; C170-E175 PolarHBondContact N-OE1 2.9Å; C170-E175 WeakPolarHBondContact O-CG 3.28Å
171	T	63.7	Low	86.2	Confident	70 Å²	70	61.1 Å²	61.1	43%	0.429	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-89.7	154.6	-179.3	56.8	0	0	0	0	111
172	N	67.2	Low	86.4	Confident	135 Å²	135	52.1 Å²	52.1	72%	0.722	33%	0.326	S	S	*	.	S	Bend	trans	80.6	23.8	171.9	-43.3	-49.1	0	0	0	117.5	C174	N172-C174 PolarHBondContact O-N 2.93Å; N172-C174 VanDerWaalsContact O-N 3.16Å
173	G	68.9	Low	86.6	Confident	75 Å²	75	53.3 Å²	53.3	77%	0.773	33%	0.327	S	S	*	.	S	Bend	trans	72.5	7.2	170.6	0	0	0	0	0	115	E175	G173-E175 PolarHBondContact O-N 2.93Å
174	C	72.8	Confident	86.7	Confident	54 Å²	54	51.9 Å²	51.9	37%	0.365	31%	0.314	S	S	.	.			trans	-88.1	19.4	172.9	-58.9	0	0	0	0	112.6	N172 V220	N172-C174 PolarHBondContact O-N 2.93Å; N172-C174 VanDerWaalsContact O-N 3.16Å; C174-V220 HydrophobicContact CB-CG2 3.75Å
175	E	83.1	Confident	86.9	Confident	103 Å²	103	55 Å²	55	48%	0.481	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-68.8	136.5	179.8	-45.5	-159.4	117.6	0	0	109.4	C170 G173	C170-E175 HydrophobicContact CB-CB 4.21Å; C170-E175 HydrophobicContact CB-CG 3.59Å; C170-E175 WeakPolarHBondContact CB-OE1 3.15Å; C170-E175 PolarHBondContact N-OE1 2.9Å; C170-E175 WeakPolarHBondContact O-CG 3.28Å; G173-E175 PolarHBondContact O-N 2.93Å
176	P	87.8	Confident	86.9	Confident	15 Å²	15	58.3 Å²	58.3	10%	0.097	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.8	150.9	170.2	-5.4	18.6	0	0	0	109.7	Y129 L193 F208	Y129-P176 HydrophobicContact CE1-CB 4.13Å; Y129-P176 HydrophobicContact CE1-CG 4.47Å; Y129-P176 HydrophobicContact CE2-CB 4.23Å; Y129-P176 HydrophobicContact CE2-CG 3.81Å; Y129-P176 VanDerWaalsContact OH-C 3.22Å; Y129-P176 VanDerWaalsContact OH-CB 3.29Å; Y129-P176 WeakPolarHBondContact OH-CB 3.41Å; Y129-P176 PolarHBondContact OH-O 2.84Å; P176-L193 HydrophobicContact CB-CD2 3.52Å; P176-L193 HydrophobicContact CG-CD2 3.61Å; P176-F208 HydrophobicContact CB-CB 4.37Å; P176-F208 HydrophobicContact CB-CD1 3.93Å; P176-F208 HydrophobicContact CB-CD2 3.66Å; P176-F208 HydrophobicContact CB-CE1 4.07Å; P176-F208 HydrophobicContact CB-CE2 3.79Å; P176-F208 HydrophobicContact CB-CG 3.73Å; P176-F208 HydrophobicContact CB-CZ 4.01Å; P176-F208 HydrophobicContact CG-CB 3.9Å; P176-F208 HydrophobicContact CG-CD1 3.94Å; P176-F208 HydrophobicContact CG-CD2 4.14Å; P176-F208 HydrophobicContact CG-CG 3.74Å
177	P	90.5	Very high	86.9	Confident	50 Å²	50	54.1 Å²	54.1	33%	0.325	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.3	164.3	175.7	29.8	-34.5	0	0	0	110.7	Y129 L179	Y129-P177 PolarHBondContact OH-O 3.44Å; P177-L179 HydrophobicContact CG-CD1 4.06Å; P177-L179 HydrophobicContact CG-CD2 4.26Å; P177-L179 HydrophobicContact CG-CG 4.09Å; P177-L179 VanDerWaalsContact O-CG 3.29Å; P177-L179 WeakPolarHBondContact O-CG 3.36Å; P177-L179 PolarHBondContact O-N 2.86Å
178	P	93.2	Very high	86.9	Confident	55 Å²	55	55 Å²	55	36%	0.357	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.3	122.2	169.4	-23.1	33.7	0	0	0	111.9	S151 S152	S151-P178 VanDerWaalsContact O-CB 3.23Å; S151-P178 WeakPolarHBondContact O-CB 3.19Å; S152-P178 VanDerWaalsContact O-CA 3.3Å; S152-P178 WeakPolarHBondContact O-CA 3.34Å
179	L	94.6	Very high	87	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	37%	0.372	C	S	.	.			trans	-139.7	137.2	-173.5	-66.5	165.6	0	0	0	111.9	Y129 G130 G131 S152 P177 C182 L193 G195 E197 N198 T204	Y129-L179 HydrophobicContact CE1-CB 4.35Å; Y129-L179 HydrophobicContact CE1-CD1 4.48Å; G130-L179 WeakPolarHBondContact CA-O 3.25Å; G131-L179 PolarHBondContact N-O 2.7Å; S152-L179 PolarHBondContact O-N 3.02Å; S152-L179 VanDerWaalsContact O-N 3.08Å; P177-L179 HydrophobicContact CG-CD1 4.06Å; P177-L179 HydrophobicContact CG-CD2 4.26Å; P177-L179 HydrophobicContact CG-CG 4.09Å; P177-L179 VanDerWaalsContact O-CG 3.29Å; P177-L179 WeakPolarHBondContact O-CG 3.36Å; P177-L179 PolarHBondContact O-N 2.86Å; L179-C182 HydrophobicContact CB-CB 4.22Å; L179-L193 HydrophobicContact CD1-CD2 4.39Å; L179-G195 WeakPolarHBondContact CD1-O 3.48Å; L179-E197 WeakPolarHBondContact CA-O 3.34Å; L179-N198 HydrophobicContact CD2-CB 4.18Å; L179-T204 HydrophobicContact CD2-CG2 3.71Å
180	C	95	Very high	87.4	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.014	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-110.1	167.1	160.7	67.6	0	0	0	0	110.5	L116 D132 P149 S151 C182 G196 E197	L116-C180 HydrophobicContact CB-CB 4.35Å; D132-C180 HydrophobicContact CB-CB 4.04Å; P149-C180 WeakPolarHBondContact CB-SG 3.06Å; S151-C180 PolarHBondContact OG-N 2.87Å; S151-C180 PolarHBondContact OG-SG 2.82Å; S151-C180 VanDerWaalsContact OG-SG 3.41Å; C180-C182 PolarHBondContact O-N 3.16Å; C180-G196 CarbonylContact O-C 3.57Å; C180-G196 VanDerWaalsContact O-CA 3.26Å; C180-G196 WeakPolarHBondContact O-CA 3.24Å; C180-E197 PolarHBondContact N-O 3.03Å; C180-E197 PolarHBondContact O-N 3.35Å
181	A	94.6	Very high	88.4	Confident	57 Å²	57	58.4 Å²	58.4	47%	0.471	35%	0.351	S	S	.	.	S	Bend	trans	53.3	26.1	-179.3	0	0	0	0	0	113.8	L116	L116-A181 HydrophobicContact CB-CB 4.47Å; L116-A181 PolarHBondContact O-N 2.87Å
182	C	94.9	Very high	89.8	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.061	34%	0.339	C	S	.	.			trans	-81.3	152.5	176.1	57.1	0	0	0	0	110.8	G118 L179 C180 L193 G195	G118-C182 PolarHBondContact N-SG 2.89Å; L179-C182 HydrophobicContact CB-CB 4.22Å; C180-C182 PolarHBondContact O-N 3.16Å; C182-L193 HydrophobicContact CB-CD1 3.71Å; C182-G195 WeakPolarHBondContact CB-O 3.18Å
183	T	95.8	Very high	91.1	Very high	81 Å²	81	50.4 Å²	50.4	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.2	172.9	-63.7	0	0	0	0	109.1	I185 L193 F194	T183-I185 HydrophobicContact CG2-CG2 3.95Å; T183-L193 CarbonylContact O-C 3.49Å; T183-L193 WeakPolarHBondContact O-CA 3.34Å; T183-F194 PolarHBondContact N-O 3.41Å; T183-F194 PolarHBondContact O-N 2.94Å
184	L	96.6	Very high	92.3	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.2	172.4	-173.5	69.5	0	0	0	108.5	T120 F127 F155 C191 V192 L193	T120-L184 HydrophobicContact CG2-CD2 3.96Å; T120-L184 HydrophobicContact CG2-CG 3.83Å; F127-L184 HydrophobicContact CB-CD2 4.12Å; F155-L184 HydrophobicContact CE2-CD2 4.35Å; L184-C191 HydrophobicContact CD1-CB 3.94Å; L184-V192 WeakPolarHBondContact CA-O 3.33Å; L184-L193 HydrophobicContact CB-CD1 4.37Å; L184-L193 HydrophobicContact CD1-CB 3.89Å; L184-L193 HydrophobicContact CD1-CD1 4.1Å
185	I	96.4	Very high	93.3	Very high	85 Å²	85	49.3 Å²	49.3	44%	0.436	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.7	178	62.6	170.9	0	0	0	111.1	T183 C191 V192	T183-I185 HydrophobicContact CG2-CG2 3.95Å; I185-C191 CarbonylContact O-C 3.43Å; I185-C191 WeakPolarHBondContact O-CA 3.48Å; I185-V192 HydrophobicContact CD1-CB 4.39Å; I185-V192 HydrophobicContact CG1-CB 3.85Å; I185-V192 PolarHBondContact N-O 3.36Å; I185-V192 PolarHBondContact O-N 3Å
186	W	96.2	Very high	93.8	Very high	71 Å²	71	45 Å²	45	27%	0.269	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.5	169.1	-179.3	-99.1	0	0	0	109.8	T120 A121 F127 N189 R190 P212	T120-W186 HydrophobicContact CG2-CB 4.03Å; T120-W186 WeakPolarHBondContact OG1-CB 3.49Å; T120-W186 PolarHBondContact OG1-N 2.84Å; A121-W186 VanDerWaalsContact O-CB 3.28Å; A121-W186 WeakPolarHBondContact O-CB 3.28Å; F127-W186 HydrophobicContact CD2-CE3 4.06Å; F127-W186 HydrophobicContact CD2-CZ3 4.17Å; F127-W186 AromaticContact CE2-CE3 3.7Å; F127-W186 HydrophobicContact CE2-CE3 3.7Å; F127-W186 HydrophobicContact CE2-CH2 4.17Å; F127-W186 AromaticContact CE2-CZ3 3.41Å; F127-W186 HydrophobicContact CE2-CZ3 3.41Å; F127-W186 VanDerWaalsContact CE2-CZ3 3.41Å; F127-W186 HydrophobicContact CZ-CE3 4.49Å; F127-W186 HydrophobicContact CZ-CH2 4.41Å; F127-W186 AromaticContact CZ-CZ3 3.8Å; F127-W186 HydrophobicContact CZ-CZ3 3.8Å; W186-N189 VanDerWaalsContact CZ2-CA 3.42Å; W186-N189 HydrophobicContact CZ2-CB 4.22Å; W186-R190 CarbonylContact C-O 3.6Å; W186-R190 WeakPolarHBondContact CA-O 3.49Å; W186-P212 HydrophobicContact CH2-CG 3.74Å; W186-P212 HydrophobicContact CZ3-CG 3.67Å
187	A	94.2	Very high	94	Very high	38 Å²	38	47.1 Å²	47.1	31%	0.314	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.3	179.5	0	0	0	0	0	110.8	N189 R190	A187-N189 VanDerWaalsContact C-N 3.3Å; A187-N189 PolarHBondContact O-N 3.27Å; A187-R190 PolarHBondContact N-O 2.84Å; A187-R190 WeakPolarHBondContact O-CB 3.44Å; A187-R190 PolarHBondContact O-N 2.9Å
188	C	92.3	Very high	94.1	Very high	105 Å²	105	46.4 Å²	46.4	71%	0.709	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	48.6	175.9	-61.3	0	0	0	0	113.2	R190	C188-R190 VanDerWaalsContact C-N 3.27Å; C188-R190 PolarHBondContact O-N 3.28Å
189	N	92.1	Very high	93.9	Very high	118 Å²	118	47 Å²	47	63%	0.631	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.8	-177.1	-63.3	-26.1	0	0	0	115.5	W186 A187 P212	W186-N189 VanDerWaalsContact CZ2-CA 3.42Å; W186-N189 HydrophobicContact CZ2-CB 4.22Å; A187-N189 VanDerWaalsContact C-N 3.3Å; A187-N189 PolarHBondContact O-N 3.27Å; N189-P212 WeakPolarHBondContact O-CD 3.35Å
190	R	92.5	Very high	93.7	Very high	90 Å²	90	53.3 Å²	53.3	34%	0.34	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.8	-179.9	-68.1	175.7	-78.3	-140.3	0.3	110.2	W186 A187 C188 Y210 N211	W186-R190 CarbonylContact C-O 3.6Å; W186-R190 WeakPolarHBondContact CA-O 3.49Å; A187-R190 PolarHBondContact N-O 2.84Å; A187-R190 WeakPolarHBondContact O-CB 3.44Å; A187-R190 PolarHBondContact O-N 2.9Å; C188-R190 VanDerWaalsContact C-N 3.27Å; C188-R190 PolarHBondContact O-N 3.28Å; R190-Y210 CarbonylContact C-O 3.59Å; R190-Y210 VanDerWaalsContact CA-O 3.24Å; R190-Y210 WeakPolarHBondContact CA-O 3.31Å; R190-Y210 WeakPolarHBondContact CB-O 3.43Å; R190-N211 HydrophobicContact CG-CB 4.11Å
191	C	94.1	Very high	93.2	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.7	162.2	-55.5	0	0	0	0	108.2	F127 F155 L184 I185 M209 Y210	F127-C191 VanDerWaalsContact CD2-SG 3.52Å; F127-C191 WeakPolarHBondContact CG-SG 3.4Å; F155-C191 HydrophobicContact CZ-CB 4.31Å; L184-C191 HydrophobicContact CD1-CB 3.94Å; I185-C191 CarbonylContact O-C 3.43Å; I185-C191 WeakPolarHBondContact O-CA 3.48Å; C191-M209 CarbonylContact O-C 3.47Å; C191-M209 VanDerWaalsContact O-CA 3.3Å; C191-M209 WeakPolarHBondContact O-CA 3.49Å; C191-Y210 HydrophobicContact CB-CD1 4.46Å; C191-Y210 PolarHBondContact N-O 3.33Å; C191-Y210 PolarHBondContact O-N 2.91Å
192	V	94.1	Very high	92.9	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.9	172.3	-173.1	0	0	0	0	107.4	L184 I185 T207 F208 M209	L184-V192 WeakPolarHBondContact CA-O 3.33Å; I185-V192 HydrophobicContact CD1-CB 4.39Å; I185-V192 HydrophobicContact CG1-CB 3.85Å; I185-V192 PolarHBondContact N-O 3.36Å; I185-V192 PolarHBondContact O-N 3Å; V192-T207 HydrophobicContact CG1-CG2 3.76Å; V192-F208 WeakPolarHBondContact CA-O 3.29Å; V192-M209 HydrophobicContact CG1-CG 4.35Å; V192-M209 HydrophobicContact CG2-CG 4.22Å; V192-M209 HydrophobicContact CG2-SD 4.33Å
193	L	93.8	Very high	92.7	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.5	176.7	178.4	73.2	0	0	0	108.6	Y129 P176 L179 C182 T183 L184 T207 F208	Y129-L193 HydrophobicContact CD1-CD1 3.73Å; Y129-L193 HydrophobicContact CD1-CD2 3.53Å; Y129-L193 HydrophobicContact CD1-CG 4.3Å; Y129-L193 HydrophobicContact CD2-CD2 4.42Å; Y129-L193 HydrophobicContact CE1-CD1 4.48Å; Y129-L193 HydrophobicContact CE1-CD2 3.54Å; Y129-L193 HydrophobicContact CE2-CD2 4.45Å; Y129-L193 HydrophobicContact CG-CD1 4.17Å; Y129-L193 HydrophobicContact CG-CD2 4.01Å; P176-L193 HydrophobicContact CB-CD2 3.52Å; P176-L193 HydrophobicContact CG-CD2 3.61Å; L179-L193 HydrophobicContact CD1-CD2 4.39Å; C182-L193 HydrophobicContact CB-CD1 3.71Å; T183-L193 CarbonylContact O-C 3.49Å; T183-L193 WeakPolarHBondContact O-CA 3.34Å; L184-L193 HydrophobicContact CB-CD1 4.37Å; L184-L193 HydrophobicContact CD1-CB 3.89Å; L184-L193 HydrophobicContact CD1-CD1 4.1Å; L193-T207 CarbonylContact O-C 3.58Å; L193-T207 WeakPolarHBondContact O-CA 3.43Å; L193-F208 HydrophobicContact CB-CB 4.26Å; L193-F208 HydrophobicContact CD2-CB 4.45Å; L193-F208 HydrophobicContact CD2-CD2 4.17Å; L193-F208 PolarHBondContact N-O 2.61Å; L193-F208 PolarHBondContact O-N 2.75Å
194	F	93.8	Very high	92.2	Very high	100 Å²	100	60 Å²	60	44%	0.439	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.2	178.1	-179	-101.5	0	0	0	111.7	T183 C205 T207	T183-F194 PolarHBondContact N-O 3.41Å; T183-F194 PolarHBondContact O-N 2.94Å; F194-C205 WeakPolarHBondContact CE2-O 2.93Å; F194-T207 WeakPolarHBondContact CD2-OG1 3.12Å
195	G	93.3	Very high	91.6	Very high	5 Å²	5	64 Å²	64	5%	0.052	35%	0.354	C	S	.	.			trans	60.3	-148.3	171	0	0	0	0	0	114.7	L179 C182 T204 S206	L179-G195 WeakPolarHBondContact CD1-O 3.48Å; C182-G195 WeakPolarHBondContact CB-O 3.18Å; G195-T204 VanDerWaalsContact C-OG1 3.24Å; G195-T204 WeakPolarHBondContact CA-O 3.5Å; G195-T204 WeakPolarHBondContact CA-OG1 3.49Å; G195-T204 PolarHBondContact O-OG1 3.13Å; G195-S206 PolarHBondContact N-O 3.18Å
196	G	93.6	Very high	91	Very high	13 Å²	13	62 Å²	62	13%	0.134	35%	0.348	C	S	.	.			trans	100	173.4	-172.4	0	0	0	0	0	113.1	C180 N203 T204	C180-G196 CarbonylContact O-C 3.57Å; C180-G196 VanDerWaalsContact O-CA 3.26Å; C180-G196 WeakPolarHBondContact O-CA 3.24Å; G196-N203 CarbonylContact O-C 3.59Å; G196-N203 WeakPolarHBondContact O-CA 3.23Å; G196-T204 PolarHBondContact O-N 3.46Å; G196-T204 PolarHBondContact O-OG1 3.16Å
197	E	93.4	Very high	90.7	Very high	60 Å²	60	60.6 Å²	60.6	28%	0.28	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-107	136.7	-177.3	-173.9	-178.3	175.8	0	0	110	P149 S151 L179 C180 G201 N202	P149-E197 HydrophobicContact CG-CG 4.19Å; S151-E197 PolarHBondContact OG-O 3.27Å; L179-E197 WeakPolarHBondContact CA-O 3.34Å; C180-E197 PolarHBondContact N-O 3.03Å; C180-E197 PolarHBondContact O-N 3.35Å; E197-G201 VanDerWaalsContact OE1-CA 3.31Å; E197-G201 WeakPolarHBondContact OE1-CA 3.23Å; E197-N202 WeakPolarHBondContact CA-O 3.44Å
198	N	91.5	Very high	90.5	Very high	34 Å²	34	59.9 Å²	59.9	18%	0.182	34%	0.337	C	S	.	.			trans	-96.6	176.6	177.6	69.1	22.9	0	0	0	112.5	P149 L179 L200 G201 N202	P149-N198 WeakPolarHBondContact CG-O 3.45Å; L179-N198 HydrophobicContact CD2-CB 4.18Å; N198-L200 PolarHBondContact O-N 2.84Å; N198-L200 WeakPolarHBondContact OD1-CA 3.49Å; N198-L200 WeakPolarHBondContact OD1-CB 2.99Å; N198-L200 PolarHBondContact OD1-N 2.88Å; N198-G201 PolarHBondContact O-N 3.43Å; N198-G201 PolarHBondContact OD1-N 2.69Å; N198-N202 PolarHBondContact N-O 2.92Å; N198-N202 PolarHBondContact OD1-N 2.88Å; N198-N202 PolarHBondContact OD1-O 3Å
199	N	89.8	Confident	90.4	Very high	68 Å²	68	57.9 Å²	57.9	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-4.2	-178.5	-66.4	-16.3	0	0	0	115.3	P149 S151	P149-N199 PolarHBondContact O-OD1 3.34Å; P149-N199 VanDerWaalsContact O-OD1 3.13Å; S151-N199 VanDerWaalsContact CA-OD1 3.24Å; S151-N199 WeakPolarHBondContact CA-OD1 3.38Å; S151-N199 WeakPolarHBondContact CB-OD1 3.43Å; S151-N199 PolarHBondContact N-OD1 2.84Å; S151-N199 PolarHBondContact O-ND2 3.15Å; S151-N199 VanDerWaalsContact O-ND2 3.16Å; S151-N199 PolarHBondContact O-OD1 3.12Å; S151-N199 PolarHBondContact OG-OD1 3.29Å
200	L	89.3	Confident	90.2	Very high	134 Å²	134	53.2 Å²	53.2	70%	0.702	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	0.2	172.2	-59.2	174.5	0	0	0	112.2	N198 N202	N198-L200 PolarHBondContact O-N 2.84Å; N198-L200 WeakPolarHBondContact OD1-CA 3.49Å; N198-L200 WeakPolarHBondContact OD1-CB 2.99Å; N198-L200 PolarHBondContact OD1-N 2.88Å; L200-N202 VanDerWaalsContact C-N 3.3Å
201	G	84.6	Confident	90	Very high	30 Å²	30	50.5 Å²	50.5	31%	0.309	28%	0.284	S	S	.	.	S	Bend	trans	77.2	14.7	-174	0	0	0	0	0	113.8	E197 N198	E197-G201 VanDerWaalsContact OE1-CA 3.31Å; E197-G201 WeakPolarHBondContact OE1-CA 3.23Å; N198-G201 PolarHBondContact O-N 3.43Å; N198-G201 PolarHBondContact OD1-N 2.69Å
202	N	89.5	Confident	89.4	Confident	91 Å²	91	52.5 Å²	52.5	49%	0.487	30%	0.297	S	S	.	.			trans	-95.1	133.4	180	-66.5	-39.9	0	0	0	110.6	E197 N198 L200	E197-N202 WeakPolarHBondContact CA-O 3.44Å; N198-N202 PolarHBondContact N-O 2.92Å; N198-N202 PolarHBondContact OD1-N 2.88Å; N198-N202 PolarHBondContact OD1-O 3Å; L200-N202 VanDerWaalsContact C-N 3.3Å
203	N	89.1	Confident	88.4	Confident	137 Å²	137	54.8 Å²	54.8	73%	0.733	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-73.1	141.4	169.6	-68.1	-32.7	0	0	0	110.9	G196	G196-N203 CarbonylContact O-C 3.59Å; G196-N203 WeakPolarHBondContact O-CA 3.23Å
204	T	86.7	Confident	87	Confident	30 Å²	30	61.6 Å²	61.6	18%	0.184	35%	0.352	C	S	.	.			trans	-106.6	152.2	175	72	0	0	0	0	110.6	L179 G195 G196	L179-T204 HydrophobicContact CD2-CG2 3.71Å; G195-T204 VanDerWaalsContact C-OG1 3.24Å; G195-T204 WeakPolarHBondContact CA-O 3.5Å; G195-T204 WeakPolarHBondContact CA-OG1 3.49Å; G195-T204 PolarHBondContact O-OG1 3.13Å; G196-T204 PolarHBondContact O-N 3.46Å; G196-T204 PolarHBondContact O-OG1 3.16Å
205	C	83.5	Confident	85.1	Confident	96 Å²	96	62 Å²	62	65%	0.649	36%	0.355	S	S	*	.			trans	-115.7	11.3	171.4	59.5	0	0	0	0	112.1	F194	F194-C205 WeakPolarHBondContact CE2-O 2.93Å
206	S	83.2	Confident	82.6	Confident	43 Å²	43	71.4 Å²	71.4	30%	0.301	40%	0.395	S	S	.	.			trans	-71.7	143.8	-177.9	-59.2	0	0	0	0	110.9	G195	G195-S206 PolarHBondContact N-O 3.18Å
207	T	89.8	Confident	79.7	Confident	42 Å²	42	80.2 Å²	80.2	26%	0.258	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.9	172.5	-52.9	0	0	0	0	109	V192 L193 F194	V192-T207 HydrophobicContact CG1-CG2 3.76Å; L193-T207 CarbonylContact O-C 3.58Å; L193-T207 WeakPolarHBondContact O-CA 3.43Å; F194-T207 WeakPolarHBondContact CD2-OG1 3.12Å
208	F	90.4	Very high	77.1	Confident	24 Å²	24	79.2 Å²	79.2	11%	0.105	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.3	174.2	-57.4	-96.3	0	0	0	109.4	P176 V192 L193	P176-F208 HydrophobicContact CB-CB 4.37Å; P176-F208 HydrophobicContact CB-CD1 3.93Å; P176-F208 HydrophobicContact CB-CD2 3.66Å; P176-F208 HydrophobicContact CB-CE1 4.07Å; P176-F208 HydrophobicContact CB-CE2 3.79Å; P176-F208 HydrophobicContact CB-CG 3.73Å; P176-F208 HydrophobicContact CB-CZ 4.01Å; P176-F208 HydrophobicContact CG-CB 3.9Å; P176-F208 HydrophobicContact CG-CD1 3.94Å; P176-F208 HydrophobicContact CG-CD2 4.14Å; P176-F208 HydrophobicContact CG-CG 3.74Å; V192-F208 WeakPolarHBondContact CA-O 3.29Å; L193-F208 HydrophobicContact CB-CB 4.26Å; L193-F208 HydrophobicContact CD2-CB 4.45Å; L193-F208 HydrophobicContact CD2-CD2 4.17Å; L193-F208 PolarHBondContact N-O 2.61Å; L193-F208 PolarHBondContact O-N 2.75Å
209	M	89.9	Confident	74.5	Confident	62 Å²	62	82.7 Å²	82.7	31%	0.305	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.5	175.8	-62.4	-162.3	-38.7	0	0	110.7	C191 V192 L218	C191-M209 CarbonylContact O-C 3.47Å; C191-M209 VanDerWaalsContact O-CA 3.3Å; C191-M209 WeakPolarHBondContact O-CA 3.49Å; V192-M209 HydrophobicContact CG1-CG 4.35Å; V192-M209 HydrophobicContact CG2-CG 4.22Å; V192-M209 HydrophobicContact CG2-SD 4.33Å; M209-L218 VanDerWaalsContact O-CD2 3.24Å; M209-L218 WeakPolarHBondContact O-CD2 3.26Å
210	Y	88.1	Confident	72.3	Confident	21 Å²	21	81.3 Å²	81.3	8%	0.082	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.5	169.1	170.8	-108.5	0	0	0	110.3	F127 F155 I168 R190 C191 P212 E215 L218	F127-Y210 AromaticContact CE1-CE1 3.99Å; F127-Y210 HydrophobicContact CE1-CE1 3.99Å; F155-Y210 AromaticContact CE1-CD1 3.52Å; F155-Y210 HydrophobicContact CE1-CD1 3.52Å; F155-Y210 AromaticContact CE1-CD2 3.97Å; F155-Y210 HydrophobicContact CE1-CD2 3.97Å; F155-Y210 HydrophobicContact CE1-CE1 4.03Å; F155-Y210 HydrophobicContact CE1-CE2 4.46Å; F155-Y210 AromaticContact CE1-CG 3.48Å; F155-Y210 HydrophobicContact CE1-CG 3.48Å; F155-Y210 VanDerWaalsContact CE1-CG 3.48Å; F155-Y210 AromaticContact CZ-CD1 3.77Å; F155-Y210 HydrophobicContact CZ-CD1 3.77Å; F155-Y210 HydrophobicContact CZ-CE1 4.35Å; F155-Y210 HydrophobicContact CZ-CG 4.1Å; I168-Y210 HydrophobicContact CD1-CD1 4.48Å; I168-Y210 HydrophobicContact CD1-CE1 3.75Å; I168-Y210 HydrophobicContact CG2-CD2 4.27Å; I168-Y210 HydrophobicContact CG2-CE2 3.59Å; R190-Y210 CarbonylContact C-O 3.59Å; R190-Y210 VanDerWaalsContact CA-O 3.24Å; R190-Y210 WeakPolarHBondContact CA-O 3.31Å; R190-Y210 WeakPolarHBondContact CB-O 3.43Å; C191-Y210 HydrophobicContact CB-CD1 4.46Å; C191-Y210 PolarHBondContact N-O 3.33Å; C191-Y210 PolarHBondContact O-N 2.91Å; Y210-P212 HydrophobicContact CD1-CG 3.93Å; Y210-P212 HydrophobicContact CE1-CB 4.08Å; Y210-P212 HydrophobicContact CE1-CG 3.57Å; Y210-E215 HydrophobicContact CE2-CG 4.27Å; Y210-E215 PolarHBondContact OH-OE1 3.41Å; Y210-L218 HydrophobicContact CD2-CD2 4.5Å
211	N	87.6	Confident	69.8	Low	32 Å²	32	81.7 Å²	81.7	17%	0.171	43%	0.431	C	S	.	.			trans	-116.8	100	179.9	-172	-23	0	0	0	110	R190 G213 R214	R190-N211 HydrophobicContact CG-CB 4.11Å; N211-G213 PolarHBondContact O-N 3.02Å; N211-R214 HydrophobicContact CB-CB 4.14Å; N211-R214 WeakPolarHBondContact ND2-CD 3.48Å; N211-R214 PolarHBondContact O-N 2.91Å; N211-R214 VanDerWaalsContact O-N 3.12Å
212	P	82.4	Confident	67.6	Low	43 Å²	43	88 Å²	88	28%	0.279	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130	176	-20.8	31.1	0	0	0	111.1	F127 W186 N189 Y210 R214	F127-P212 HydrophobicContact CE1-CG 4.29Å; F127-P212 HydrophobicContact CZ-CG 3.92Å; W186-P212 HydrophobicContact CH2-CG 3.74Å; W186-P212 HydrophobicContact CZ3-CG 3.67Å; N189-P212 WeakPolarHBondContact O-CD 3.35Å; Y210-P212 HydrophobicContact CD1-CG 3.93Å; Y210-P212 HydrophobicContact CE1-CB 4.08Å; Y210-P212 HydrophobicContact CE1-CG 3.57Å; P212-R214 VanDerWaalsContact C-N 3.33Å; P212-R214 PolarHBondContact O-N 3.06Å
213	G	74.1	Confident	65.1	Low	79 Å²	79	89.3 Å²	89.3	81%	0.814	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-7.8	-179.1	0	0	0	0	0	115.4	N211	N211-G213 PolarHBondContact O-N 3.02Å
214	R	63.7	Low	62.4	Low	150 Å²	150	89.7 Å²	89.7	57%	0.566	45%	0.454	S	S	*	.			trans	-111.1	30.3	168.5	-67.5	-159	-175.7	177.5	-2	113.1	N211 P212 K216 R217	N211-R214 HydrophobicContact CB-CB 4.14Å; N211-R214 WeakPolarHBondContact ND2-CD 3.48Å; N211-R214 PolarHBondContact O-N 2.91Å; N211-R214 VanDerWaalsContact O-N 3.12Å; P212-R214 VanDerWaalsContact C-N 3.33Å; P212-R214 PolarHBondContact O-N 3.06Å; R214-K216 PolarHBondContact O-N 3.47Å; R214-R217 CarbonylContact O-C 3.53Å; R214-R217 PolarHBondContact O-N 3.03Å
215	E	54.5	Low	59.7	Low	107 Å²	107	92.4 Å²	92.4	50%	0.5	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-15.4	-175.6	-61.6	-176.8	163.7	0	0	114.7	Y210	Y210-E215 HydrophobicContact CE2-CG 4.27Å; Y210-E215 PolarHBondContact OH-OE1 3.41Å
216	K	40	Very low	57	Low	203 Å²	203	97.2 Å²	97.2	88%	0.883	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.1	173.4	-65	-171.7	177.1	-177	0	116	R214	R214-K216 PolarHBondContact O-N 3.47Å
217	R	33.3	Very low	54.4	Low	198 Å²	198	104.3 Å²	104.3	75%	0.747	51%	0.505	S	S	*	.			trans	-148.4	91.5	176.1	-99	-174.8	175.4	173.7	-2.9	109.5	R214	R214-R217 CarbonylContact O-C 3.53Å; R214-R217 PolarHBondContact O-N 3.03Å
218	L	38	Very low	51.2	Low	39 Å²	39	109.4 Å²	109.4	20%	0.204	53%	0.53	C	S	.	.			trans	-86.6	103.3	164.6	-80.7	157.4	0	0	0	107.6	M209 Y210 V220	M209-L218 VanDerWaalsContact O-CD2 3.24Å; M209-L218 WeakPolarHBondContact O-CD2 3.26Å; Y210-L218 HydrophobicContact CD2-CD2 4.5Å; L218-V220 HydrophobicContact CB-CG2 4.29Å; L218-V220 PolarHBondContact O-N 2.97Å
219	D	37.4	Very low	48.1	Very low	108 Å²	108	114 Å²	114	58%	0.578	56%	0.562	S	S	*	*			trans	-74.3	87.2	161.4	-65.2	-42.4	0	0	0	106.5	E221	D219-E221 PolarHBondContact O-N 2.91Å; D219-E221 VanDerWaalsContact O-N 3.09Å
220	V	42.5	Very low	45.7	Very low	38 Å²	38	122.9 Å²	122.9	23%	0.23	61%	0.609	C	S	.	*			trans	-77.3	84.3	161.9	-176.4	0	0	0	0	105.8	C174 L218 F222	C174-V220 HydrophobicContact CB-CG2 3.75Å; L218-V220 HydrophobicContact CB-CG2 4.29Å; L218-V220 PolarHBondContact O-N 2.97Å; V220-F222 VanDerWaalsContact C-N 3.32Å; V220-F222 HydrophobicContact CG1-CD2 4.17Å; V220-F222 HydrophobicContact CG1-CE2 4.38Å; V220-F222 PolarHBondContact O-N 3.42Å
221	E	38.4	Very low	43.5	Very low	143 Å²	143	128 Å²	128	67%	0.668	64%	0.635	S	S	*	*			trans	-65.3	104.6	157.7	-79.6	-172.7	163.4	0	0	106	D219 L223	D219-E221 PolarHBondContact O-N 2.91Å; D219-E221 VanDerWaalsContact O-N 3.09Å; E221-L223 HydrophobicContact CB-CG 4.41Å; E221-L223 PolarHBondContact O-N 2.99Å
222	F	37.9	Very low	41.2	Very low	163 Å²	163	133 Å²	133	72%	0.715	66%	0.66	S	S	*	*			trans	-58.1	88.8	152.1	-95	-91.9	0	0	0	105.7	V220 Q224	V220-F222 VanDerWaalsContact C-N 3.32Å; V220-F222 HydrophobicContact CG1-CD2 4.17Å; V220-F222 HydrophobicContact CG1-CE2 4.38Å; V220-F222 PolarHBondContact O-N 3.42Å; F222-Q224 PolarHBondContact O-N 2.99Å
223	L	36.9	Very low	38.9	Very low	117 Å²	117	138 Å²	138	61%	0.613	68%	0.681	S	S	*	*			trans	-67.7	79.5	158.4	-74	166.3	0	0	0	104.7	E221 C225	E221-L223 HydrophobicContact CB-CG 4.41Å; E221-L223 PolarHBondContact O-N 2.99Å; L223-C225 PolarHBondContact O-N 2.95Å
224	Q	33	Very low	36.9	Very low	146 Å²	146	141.5 Å²	141.5	68%	0.682	67%	0.673	S	S	*	*			trans	-53.3	112.6	161.6	-140	174.4	4.7	0	0	103.7	F222 Y226	F222-Q224 PolarHBondContact O-N 2.99Å; Q224-Y226 VanDerWaalsContact O-CD2 3.3Å; Q224-Y226 WeakPolarHBondContact O-CD2 3.4Å; Q224-Y226 PolarHBondContact O-N 2.7Å
225	C	29	Very low	35.2	Very low	87 Å²	87	140.9 Å²	140.9	59%	0.588	68%	0.68	S	S	*	*			trans	-55.3	95.6	178.2	-65.8	0	0	0	0	107.3	L223 F227	L223-C225 PolarHBondContact O-N 2.95Å; C225-F227 PolarHBondContact O-N 3.47Å
226	Y	27.8	Very low	33.9	Very low	197 Å²	197	143.2 Å²	143.2	77%	0.773	69%	0.692	S	S	*	*			trans	-66.6	96.1	160.6	-71.9	-82.7	0	0	0	103.7	Q224 L228	Q224-Y226 VanDerWaalsContact O-CD2 3.3Å; Q224-Y226 WeakPolarHBondContact O-CD2 3.4Å; Q224-Y226 PolarHBondContact O-N 2.7Å; Y226-L228 PolarHBondContact O-N 3.43Å
227	F	27	Very low	33.4	Very low	192 Å²	192	138.9 Å²	138.9	84%	0.842	68%	0.678	S	S	*	*			trans	-55.5	94.5	153.6	-83	-87.7	0	0	0	105.2	C225 P229	C225-F227 PolarHBondContact O-N 3.47Å; F227-P229 WeakPolarHBondContact O-CD 3.47Å
228	L	22.4	Very low	33.5	Very low	149 Å²	149	134.4 Å²	134.4	78%	0.78	67%	0.673	S	S	*	*			trans	-62	119.7	157.6	-73.9	167.8	0	0	0	104.5	Y226 L230	Y226-L228 PolarHBondContact O-N 3.43Å; L228-L230 PolarHBondContact O-N 2.76Å
229	P	25.7	Very low	33.1	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	71%	0.712	S	S	*	*			trans	-59.2	131.5	169.3	4.1	6	0	0	0	107.1	F227	F227-P229 WeakPolarHBondContact O-CD 3.47Å
230	L	39.1	Very low	32.7	Very low	249 Å²	249	145.5 Å²	145.5	100%	1.304	72%	0.724	S	S	*	*			trans	-53.9	0	171	-76.8	163.1	0	0	0	111.3	L228	L228-L230 PolarHBondContact O-N 2.76Å

Retrieved 230 of 230 residues in 589.6 ms (Link to these results)

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