A0A5K4FAH1_SCHMA Loading...

Leishmanolysin-like peptidase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	N	49.1	Very low	81.4	Confident	218 Å²	218	101.9 Å²	101.9	100%	1.166	51%	0.51	S	S	*	.				0	113.5	0	-84	-0.3	0	0	0	110.9
2	R	63	Low	81.7	Confident	245 Å²	245	109.7 Å²	109.7	93%	0.925	53%	0.529	S	S	*	.			trans	-72.2	139.7	161.9	-72.2	-178.7	177.4	176.3	-0.6	107.7
3	S	75.7	Confident	82.4	Confident	95 Å²	95	108.4 Å²	108.4	66%	0.664	52%	0.515	S	S	*	.			trans	-71.9	139.3	167.6	-176.7	0	0	0	0	108.4	V5	S3-V5 WeakPolarHBondContact OG-CB 3.37Å; S3-V5 VanDerWaalsContact OG-CG2 3.29Å; S3-V5 WeakPolarHBondContact OG-CG2 3.11Å; S3-V5 PolarHBondContact OG-N 3.21Å
4	Y	83.4	Confident	83.2	Confident	147 Å²	147	100.8 Å²	100.8	58%	0.576	48%	0.48	S	S	*	.			trans	-104.2	9.6	172.8	55.7	-92	0	0	0	111.8	F7	Y4-F7 HydrophobicContact CD2-CB 4.06Å; Y4-F7 WeakPolarHBondContact CD2-O 2.98Å; Y4-F7 VanDerWaalsContact CE2-O 3.29Å; Y4-F7 WeakPolarHBondContact CE2-O 3Å; Y4-F7 WeakPolarHBondContact O-CA 3.46Å; Y4-F7 VanDerWaalsContact O-CB 3.29Å; Y4-F7 WeakPolarHBondContact O-CB 3.28Å; Y4-F7 WeakPolarHBondContact O-CD2 3.44Å; Y4-F7 PolarHBondContact O-N 3.04Å
5	V	87.8	Confident	84.1	Confident	60 Å²	60	96.4 Å²	96.4	36%	0.364	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	131.5	172.2	174.8	0	0	0	0	109	S3 R17 L68	S3-V5 WeakPolarHBondContact OG-CB 3.37Å; S3-V5 VanDerWaalsContact OG-CG2 3.29Å; S3-V5 WeakPolarHBondContact OG-CG2 3.11Å; S3-V5 PolarHBondContact OG-N 3.21Å; V5-R17 WeakPolarHBondContact CG1-O 3.22Å; V5-L68 HydrophobicContact CG1-CD1 4.16Å
6	P	90	Very high	84.8	Confident	49 Å²	49	91.6 Å²	91.6	32%	0.318	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.6	5	18.8	37.9	-37.5	0	0	0	116.2	R17 T67 L68	P6-R17 HydrophobicContact CB-CG 4.32Å; P6-T67 HydrophobicContact CG-CG2 4.31Å; P6-T67 CarbonylContact O-C 3.6Å; P6-T67 WeakPolarHBondContact O-CA 3.47Å; P6-L68 PolarHBondContact O-N 2.82Å
7	F	92.2	Very high	85.4	Confident	101 Å²	101	91.4 Å²	91.4	44%	0.443	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-66.3	149.6	177.9	-54.3	-70.6	0	0	0	111.7	Y4 C65 P66 T67	Y4-F7 HydrophobicContact CD2-CB 4.06Å; Y4-F7 WeakPolarHBondContact CD2-O 2.98Å; Y4-F7 VanDerWaalsContact CE2-O 3.29Å; Y4-F7 WeakPolarHBondContact CE2-O 3Å; Y4-F7 WeakPolarHBondContact O-CA 3.46Å; Y4-F7 VanDerWaalsContact O-CB 3.29Å; Y4-F7 WeakPolarHBondContact O-CB 3.28Å; Y4-F7 WeakPolarHBondContact O-CD2 3.44Å; Y4-F7 PolarHBondContact O-N 3.04Å; F7-C65 HydrophobicContact CD1-CB 4.25Å; F7-C65 WeakPolarHBondContact CD1-SG 3.32Å; F7-C65 HydrophobicContact CE1-CB 4Å; F7-C65 WeakPolarHBondContact CE1-SG 3.49Å; F7-P66 WeakPolarHBondContact CA-O 3.42Å; F7-T67 HydrophobicContact CD1-CG2 3.78Å; F7-T67 HydrophobicContact CE1-CG2 4.11Å
8	C	92.4	Very high	85.9	Confident	19 Å²	19	90.4 Å²	90.4	13%	0.128	43%	0.433	C	S	.	.			trans	-158.1	163.7	-174.7	60.5	0	0	0	0	112.6	C25 P66 T67 L68	C8-C25 HydrophobicContact CB-CB 3.68Å; C8-C25 WeakPolarHBondContact CB-SG 3.49Å; C8-C25 PolarHBondContact O-SG 2.92Å; C8-C25 WeakPolarHBondContact SG-CA 3.34Å; C8-C25 WeakPolarHBondContact SG-CB 3.3Å; C8-C25 CovalentContact SG-SG 2.03Å; C8-C25 PolarHBondContact SG-SG 3.33Å; C8-P66 PolarHBondContact N-O 3.3Å; C8-P66 WeakPolarHBondContact O-CB 3.41Å; C8-T67 PolarHBondContact SG-O 2.69Å; C8-L68 HydrophobicContact CB-CD2 3.9Å; C8-L68 HydrophobicContact CB-CG 4.25Å
9	D	88.9	Confident	86.4	Confident	95 Å²	95	86.7 Å²	86.7	51%	0.508	42%	0.419	S	S	.	.			trans	-138.6	-4.2	-179.4	59.5	-17.8	0	0	0	113.3
10	V	87.6	Confident	86.9	Confident	49 Å²	49	87.8 Å²	87.8	30%	0.297	42%	0.419	S	S	.	.			trans	-110.7	109.9	-179.5	-174.5	0	0	0	0	111.1	R13 C25	V10-R13 HydrophobicContact CB-CB 4.42Å; V10-R13 HydrophobicContact CG1-CB 3.93Å; V10-C25 WeakPolarHBondContact O-CB 3.38Å
11	I	85.6	Confident	87.4	Confident	43 Å²	43	83.7 Å²	83.7	22%	0.221	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-67.6	163.1	172.5	59.5	166.7	0	0	0	112.5	R13 I27 F46	I11-R13 PolarHBondContact O-N 3.23Å; I11-I27 HydrophobicContact CG2-CB 4.08Å; I11-I27 HydrophobicContact CG2-CD1 4.05Å; I11-I27 HydrophobicContact CG2-CG1 4.4Å; I11-F46 HydrophobicContact CB-CD1 4.19Å; I11-F46 HydrophobicContact CB-CE1 3.63Å; I11-F46 HydrophobicContact CB-CZ 4.21Å; I11-F46 HydrophobicContact CD1-CB 4.29Å; I11-F46 HydrophobicContact CD1-CD1 3.07Å; I11-F46 HydrophobicContact CD1-CD2 4.19Å; I11-F46 HydrophobicContact CD1-CE1 3.35Å; I11-F46 HydrophobicContact CD1-CE2 4.37Å; I11-F46 HydrophobicContact CD1-CG 3.55Å; I11-F46 HydrophobicContact CD1-CZ 3.98Å; I11-F46 HydrophobicContact CG1-CD1 3.27Å; I11-F46 HydrophobicContact CG1-CE1 3.24Å; I11-F46 HydrophobicContact CG1-CG 4.25Å; I11-F46 HydrophobicContact CG1-CZ 4.15Å; I11-F46 HydrophobicContact CG2-CD1 4.06Å; I11-F46 HydrophobicContact CG2-CE1 3.08Å; I11-F46 HydrophobicContact CG2-CE2 4.33Å; I11-F46 HydrophobicContact CG2-CZ 3.24Å
12	R	84.2	Confident	89.7	Confident	195 Å²	195	73.3 Å²	73.3	74%	0.736	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-0.6	174.6	-57.7	-179.9	-177.9	-175.9	0.7	114.3	N130	R12-N130 WeakPolarHBondContact O-CB 3.19Å
13	R	91.1	Very high	91.3	Very high	93 Å²	93	61.6 Å²	61.6	35%	0.351	30%	0.3	S	S	.	.			trans	-88.1	109.8	170.7	-173.4	178.6	-71.7	164.2	2.4	109.4	V10 I11 T24 N130 Q132	V10-R13 HydrophobicContact CB-CB 4.42Å; V10-R13 HydrophobicContact CG1-CB 3.93Å; I11-R13 PolarHBondContact O-N 3.23Å; R13-T24 WeakPolarHBondContact O-CA 3.25Å; R13-N130 CarbonylContact C-O 3.58Å; R13-N130 WeakPolarHBondContact CA-O 3.41Å; R13-Q132 HydrophobicContact CG-CG 4.18Å
14	A	94.6	Very high	92.2	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.8	170.3	0	0	0	0	0	108.9	Y22 G23 T24 L74 N130 V131 Q132 G133	A14-Y22 HydrophobicContact CB-CD2 4.19Å; A14-G23 CarbonylContact C-O 3.47Å; A14-G23 VanDerWaalsContact CA-O 3.28Å; A14-G23 WeakPolarHBondContact CA-O 3.43Å; A14-T24 HydrophobicContact CB-CG2 3.95Å; A14-L74 HydrophobicContact CB-CD2 4.17Å; A14-N130 PolarHBondContact N-O 3.38Å; A14-V131 HydrophobicContact CB-CG1 4.5Å; A14-V131 HydrophobicContact CB-CG2 4.4Å; A14-Q132 CarbonylContact O-C 3.46Å; A14-Q132 WeakPolarHBondContact O-CA 2.97Å; A14-Q132 WeakPolarHBondContact O-CB 3.48Å; A14-Q132 PolarHBondContact O-N 3.18Å; A14-G133 PolarHBondContact O-N 2.89Å
15	T	95.5	Very high	92.7	Very high	35 Å²	35	52.2 Å²	52.2	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.9	178.9	-171.7	0	0	0	0	110.7	R17 Y22 G23 L68	T15-R17 PolarHBondContact O-N 2.68Å; T15-R17 VanDerWaalsContact O-N 3.13Å; T15-Y22 CarbonylContact O-C 3.49Å; T15-Y22 WeakPolarHBondContact O-CA 3.4Å; T15-Y22 VanDerWaalsContact O-CB 3.28Å; T15-Y22 WeakPolarHBondContact O-CB 3.35Å; T15-G23 PolarHBondContact N-O 3.3Å; T15-G23 PolarHBondContact O-N 2.85Å; T15-L68 HydrophobicContact CG2-CD1 3.57Å; T15-L68 HydrophobicContact CG2-CD2 3.77Å; T15-L68 HydrophobicContact CG2-CG 4.34Å
16	C	95.9	Very high	92.9	Very high	20 Å²	20	50.4 Å²	50.4	14%	0.135	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	117.9	176.1	-63.1	0	0	0	0	110.4	C110	C16-C110 WeakPolarHBondContact CA-SG 3.22Å; C16-C110 HydrophobicContact CB-CB 3.79Å; C16-C110 WeakPolarHBondContact CB-SG 3.01Å; C16-C110 VanDerWaalsContact SG-C 3.56Å; C16-C110 WeakPolarHBondContact SG-CB 3.47Å; C16-C110 CovalentContact SG-SG 2.04Å; C16-C110 PolarHBondContact SG-SG 2.66Å
17	R	95	Very high	93.1	Very high	88 Å²	88	48.9 Å²	48.9	33%	0.332	23%	0.233	S	C	.	.	S	Bend	trans	-83.9	-35.7	175.8	174.8	-175.5	174.4	-152.9	-1.2	110.9	V5 P6 T15 S21 L68	V5-R17 WeakPolarHBondContact CG1-O 3.22Å; P6-R17 HydrophobicContact CB-CG 4.32Å; T15-R17 PolarHBondContact O-N 2.68Å; T15-R17 VanDerWaalsContact O-N 3.13Å; R17-S21 PolarHBondContact N-O 3.3Å; R17-L68 HydrophobicContact CB-CB 4.1Å; R17-L68 HydrophobicContact CB-CD1 3.93Å; R17-L68 WeakPolarHBondContact CD-O 3.26Å; R17-L68 HydrophobicContact CG-CB 4.01Å; R17-L68 HydrophobicContact CG-CD1 4.38Å; R17-L68 PolarHBondContact NE-O 2.97Å
18	D	94.3	Very high	93.1	Very high	73 Å²	73	47.9 Å²	47.9	39%	0.39	23%	0.232	S	C	.	.	S	Bend	trans	-151	-167.6	172.7	59.2	60.6	0	0	0	108.8	Y20 S21	D18-Y20 PolarHBondContact O-N 3.15Å; D18-Y20 VanDerWaalsContact OD1-C 3.31Å; D18-Y20 VanDerWaalsContact OD1-CA 3.32Å; D18-Y20 WeakPolarHBondContact OD1-CA 3.49Å; D18-Y20 PolarHBondContact OD1-N 2.75Å; D18-S21 VanDerWaalsContact CG-OG 3.27Å; D18-S21 PolarHBondContact N-O 2.74Å; D18-S21 PolarHBondContact OD1-N 2.03Å; D18-S21 PolarHBondContact OD1-OG 2.92Å; D18-S21 PolarHBondContact OD2-OG 3.2Å
19	A	95.1	Very high	93.1	Very high	21 Å²	21	52.3 Å²	52.3	17%	0.174	25%	0.246	C	C	.	.	S	Bend	trans	-66	-21.7	179.9	0	0	0	0	0	113.7	M109 C110 M186 F187	A19-M109 CarbonylContact O-C 3.57Å; A19-M109 VanDerWaalsContact O-CA 3.3Å; A19-M109 WeakPolarHBondContact O-CA 3.38Å; A19-M109 VanDerWaalsContact O-CB 3.32Å; A19-M109 WeakPolarHBondContact O-CB 3.42Å; A19-C110 PolarHBondContact O-N 3.43Å; A19-M186 HydrophobicContact CB-CE 3.89Å; A19-F187 HydrophobicContact CB-CE1 3.97Å; A19-F187 HydrophobicContact CB-CZ 3.85Å
20	Y	97	Very high	93.3	Very high	107 Å²	107	50 Å²	50	42%	0.42	23%	0.231	S	C	.	.	S	Bend	trans	-127.2	2.1	-168	-51.2	-67.2	0	0	0	113.5	D18 C84 T85 F187	D18-Y20 PolarHBondContact O-N 3.15Å; D18-Y20 VanDerWaalsContact OD1-C 3.31Å; D18-Y20 VanDerWaalsContact OD1-CA 3.32Å; D18-Y20 WeakPolarHBondContact OD1-CA 3.49Å; D18-Y20 PolarHBondContact OD1-N 2.75Å; Y20-C84 WeakPolarHBondContact O-CB 2.97Å; Y20-C84 PolarHBondContact O-N 3.35Å; Y20-C84 PolarHBondContact O-SG 2.94Å; Y20-T85 HydrophobicContact CD1-CG2 3.95Å; Y20-T85 HydrophobicContact CG-CG2 4.39Å; Y20-F187 HydrophobicContact CE1-CD1 4.43Å; Y20-F187 HydrophobicContact CE1-CE1 4.02Å
21	S	97.1	Very high	93.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-146.2	148.9	175.9	79.5	0	0	0	0	112.9	R17 D18 S82	R17-S21 PolarHBondContact N-O 3.3Å; D18-S21 VanDerWaalsContact CG-OG 3.27Å; D18-S21 PolarHBondContact N-O 2.74Å; D18-S21 PolarHBondContact OD1-N 2.03Å; D18-S21 PolarHBondContact OD1-OG 2.92Å; D18-S21 PolarHBondContact OD2-OG 3.2Å; S21-S82 WeakPolarHBondContact CA-O 2.91Å; S21-S82 WeakPolarHBondContact CB-O 3.01Å
22	Y	97	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	165.8	163.7	63.7	-89.6	0	0	0	110.8	A14 T15 V71 L74 S82 Q102 C135	A14-Y22 HydrophobicContact CB-CD2 4.19Å; T15-Y22 CarbonylContact O-C 3.49Å; T15-Y22 WeakPolarHBondContact O-CA 3.4Å; T15-Y22 VanDerWaalsContact O-CB 3.28Å; T15-Y22 WeakPolarHBondContact O-CB 3.35Å; Y22-V71 HydrophobicContact CD2-CG2 4.15Å; Y22-V71 HydrophobicContact CE2-CB 4.05Å; Y22-V71 HydrophobicContact CE2-CG2 4.05Å; Y22-L74 HydrophobicContact CE2-CD1 4.13Å; Y22-L74 HydrophobicContact CE2-CD2 3.83Å; Y22-L74 HydrophobicContact CE2-CG 3.91Å; Y22-L74 WeakPolarHBondContact OH-CG 3.02Å; Y22-S82 VanDerWaalsContact CD2-CB 3.44Å; Y22-S82 VanDerWaalsContact CE1-CA 3.47Å; Y22-S82 VanDerWaalsContact CZ-CA 3.49Å; Y22-S82 VanDerWaalsContact CZ-CB 3.45Å; Y22-S82 PolarHBondContact N-O 3.02Å; Y22-S82 VanDerWaalsContact N-O 3.14Å; Y22-S82 WeakPolarHBondContact O-CB 3.14Å; Y22-S82 PolarHBondContact O-OG 3.06Å; Y22-Q102 PolarHBondContact OH-NE2 2.88Å; Y22-C135 VanDerWaalsContact CE1-SG 3.57Å
23	G	96.1	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	163.1	179.2	0	0	0	0	0	112.4	A14 T15 Y69	A14-G23 CarbonylContact C-O 3.47Å; A14-G23 VanDerWaalsContact CA-O 3.28Å; A14-G23 WeakPolarHBondContact CA-O 3.43Å; T15-G23 PolarHBondContact N-O 3.3Å; T15-G23 PolarHBondContact O-N 2.85Å; G23-Y69 CarbonylContact C-O 3.56Å; G23-Y69 WeakPolarHBondContact CA-O 3.46Å
24	T	94.8	Very high	94.9	Very high	37 Å²	37	47.7 Å²	47.7	23%	0.227	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.5	171.3	49	0	0	0	0	109.9	R13 A14 S26 L68 Y69 V71	R13-T24 WeakPolarHBondContact O-CA 3.25Å; A14-T24 HydrophobicContact CB-CG2 3.95Å; T24-S26 PolarHBondContact O-N 2.88Å; T24-L68 WeakPolarHBondContact O-CA 3.04Å; T24-Y69 PolarHBondContact N-O 3.31Å; T24-Y69 PolarHBondContact O-N 2.7Å; T24-V71 HydrophobicContact CG2-CG2 3.76Å
25	C	94.2	Very high	94.9	Very high	7 Å²	7	50 Å²	50	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.5	175.1	-159.6	0	0	0	0	110.9	C8 V10 L68	C8-C25 HydrophobicContact CB-CB 3.68Å; C8-C25 WeakPolarHBondContact CB-SG 3.49Å; C8-C25 PolarHBondContact O-SG 2.92Å; C8-C25 WeakPolarHBondContact SG-CA 3.34Å; C8-C25 WeakPolarHBondContact SG-CB 3.3Å; C8-C25 CovalentContact SG-SG 2.03Å; C8-C25 PolarHBondContact SG-SG 3.33Å; V10-C25 WeakPolarHBondContact O-CB 3.38Å; C25-L68 HydrophobicContact CB-CD2 4.45Å
26	S	92.7	Very high	94.9	Very high	23 Å²	23	54.4 Å²	54.4	16%	0.161	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.9	175.4	172.9	0	0	0	0	109.1	T24 E58 T67	T24-S26 PolarHBondContact O-N 2.88Å; S26-E58 VanDerWaalsContact CB-CD 3.46Å; S26-E58 WeakPolarHBondContact CB-OE2 3.11Å; S26-E58 VanDerWaalsContact O-OE2 3.1Å; S26-E58 WeakPolarHBondContact OG-CB 3.39Å; S26-E58 WeakPolarHBondContact OG-CG 3.21Å; S26-E58 PolarHBondContact OG-OE2 2.82Å; S26-T67 PolarHBondContact N-O 3.41Å; S26-T67 VanDerWaalsContact N-O 3.11Å
27	I	93.2	Very high	94.9	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.082	30%	0.301	C	S	.	.			trans	-136.5	126.2	179.7	-65	164.3	0	0	0	106	I11 F41 P45 F46 F55 G56 P66	I11-I27 HydrophobicContact CG2-CB 4.08Å; I11-I27 HydrophobicContact CG2-CD1 4.05Å; I11-I27 HydrophobicContact CG2-CG1 4.4Å; I27-F41 HydrophobicContact CD1-CE1 4.05Å; I27-F41 HydrophobicContact CD1-CZ 3.58Å; I27-F41 HydrophobicContact CG1-CZ 3.85Å; I27-F41 HydrophobicContact CG2-CE2 3.99Å; I27-F41 HydrophobicContact CG2-CZ 3.87Å; I27-P45 HydrophobicContact CG2-CG 4.18Å; I27-F46 HydrophobicContact CB-CZ 3.74Å; I27-F46 HydrophobicContact CD1-CE1 4.27Å; I27-F46 HydrophobicContact CD1-CZ 4.11Å; I27-F46 HydrophobicContact CG2-CE2 4.04Å; I27-F46 HydrophobicContact CG2-CZ 3.56Å; I27-F55 HydrophobicContact CG2-CB 4.46Å; I27-F55 HydrophobicContact CG2-CD1 4.32Å; I27-G56 CarbonylContact C-O 3.5Å; I27-G56 WeakPolarHBondContact CA-O 3.36Å; I27-P66 HydrophobicContact CD1-CB 4.33Å; I27-P66 HydrophobicContact CG1-CB 3.66Å; I27-P66 HydrophobicContact CG1-CG 4.03Å
28	L	92.4	Very high	94.9	Very high	81 Å²	81	57.3 Å²	57.3	42%	0.424	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156.8	-179.5	-57	-174.8	0	0	0	110.3	Y30 F55 G56 E58	L28-Y30 HydrophobicContact CB-CE2 4.11Å; L28-F55 WeakPolarHBondContact O-CA 3.31Å; L28-G56 PolarHBondContact N-O 2.97Å; L28-G56 PolarHBondContact O-N 2.92Å; L28-E58 HydrophobicContact CD1-CB 3.62Å; L28-E58 HydrophobicContact CG-CB 3.95Å
29	R	93.1	Very high	94.9	Very high	112 Å²	112	57.9 Å²	57.9	42%	0.423	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.1	165.3	-172.2	-179.6	64.5	85.8	-0.5	108.6	F54 F55	R29-F54 CarbonylContact C-O 3.56Å; R29-F54 WeakPolarHBondContact CA-O 3.35Å; R29-F54 HydrophobicContact CG-CB 4.25Å; R29-F55 HydrophobicContact CB-CD1 3.98Å; R29-F55 HydrophobicContact CB-CE1 3.71Å; R29-F55 HydrophobicContact CB-CZ 4.31Å; R29-F55 HydrophobicContact CG-CD1 4.33Å; R29-F55 HydrophobicContact CG-CE1 3.97Å; R29-F55 HydrophobicContact CG-CE2 4.49Å; R29-F55 HydrophobicContact CG-CZ 4.07Å
30	Y	93.9	Very high	94.7	Very high	46 Å²	46	61.5 Å²	61.5	18%	0.18	30%	0.3	C	S	.	.			trans	-82.9	156.6	177.2	-68.5	-86.2	0	0	0	111.5	L28 T32 V34 F54 G57 Y64	L28-Y30 HydrophobicContact CB-CE2 4.11Å; Y30-T32 VanDerWaalsContact CB-O 3.24Å; Y30-T32 WeakPolarHBondContact CB-O 3.07Å; Y30-V34 HydrophobicContact CD2-CG2 3.71Å; Y30-V34 HydrophobicContact CE2-CG2 4.26Å; Y30-V34 HydrophobicContact CG-CG2 4.33Å; Y30-F54 PolarHBondContact N-O 2.98Å; Y30-G57 PolarHBondContact OH-O 2.82Å; Y30-Y64 HydrophobicContact CE1-CD1 4.16Å; Y30-Y64 AromaticContact CE1-CE1 3.78Å; Y30-Y64 HydrophobicContact CE1-CE1 3.78Å; Y30-Y64 AromaticContact CE2-CD1 3.92Å; Y30-Y64 HydrophobicContact CE2-CD1 3.92Å; Y30-Y64 HydrophobicContact CE2-CE1 4.35Å; Y30-Y64 AromaticContact CZ-CD1 3.54Å; Y30-Y64 AromaticContact CZ-CE1 3.65Å; Y30-Y64 WeakPolarHBondContact OH-CD1 2.73Å
31	H	94.5	Very high	94.4	Very high	173 Å²	173	58 Å²	58	80%	0.801	29%	0.287	S	S	*	.	S	Bend	trans	-75.8	-31.6	174.6	-67.4	-70.2	0	0	0	112.2
32	T	95.1	Very high	94	Very high	98 Å²	98	64.3 Å²	64.3	60%	0.601	33%	0.326	S	S	*	.	S	Bend	trans	-110.8	154.6	174.9	52.9	0	0	0	0	109.9	Y30 V34	Y30-T32 VanDerWaalsContact CB-O 3.24Å; Y30-T32 WeakPolarHBondContact CB-O 3.07Å; T32-V34 PolarHBondContact O-N 2.77Å
33	P	95.4	Very high	93.5	Very high	57 Å²	57	72.3 Å²	72.3	37%	0.37	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-56.9	138.8	173.1	-23.1	34.1	0	0	0	111.1	R53 F54	P33-R53 CarbonylContact C-O 3.53Å; P33-R53 WeakPolarHBondContact CA-O 3.38Å; P33-R53 HydrophobicContact CB-CB 4.32Å; P33-F54 HydrophobicContact CG-CD1 4.4Å; P33-F54 HydrophobicContact CG-CE1 3.77Å; P33-F54 HydrophobicContact CG-CE2 4.47Å; P33-F54 HydrophobicContact CG-CZ 3.81Å
34	V	95.7	Very high	92.7	Very high	4 Å²	4	74.9 Å²	74.9	2%	0.024	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.2	169.4	179.7	0	0	0	0	108.5	Y30 T32 D38 R39 R53 Y64	Y30-V34 HydrophobicContact CD2-CG2 3.71Å; Y30-V34 HydrophobicContact CE2-CG2 4.26Å; Y30-V34 HydrophobicContact CG-CG2 4.33Å; T32-V34 PolarHBondContact O-N 2.77Å; V34-D38 HydrophobicContact CG1-CB 3.71Å; V34-D38 WeakPolarHBondContact CG1-O 3.32Å; V34-R39 HydrophobicContact CB-CG 4.26Å; V34-R39 HydrophobicContact CG1-CG 4.49Å; V34-R39 VanDerWaalsContact O-CZ 3.25Å; V34-R39 PolarHBondContact O-NE 2.91Å; V34-R39 PolarHBondContact O-NH2 2.61Å; V34-R53 PolarHBondContact N-O 2.83Å; V34-Y64 HydrophobicContact CG1-CD2 3.91Å; V34-Y64 HydrophobicContact CG1-CG 3.96Å
35	P	95.3	Very high	91.9	Very high	51 Å²	51	73.6 Å²	73.6	33%	0.331	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-48.6	148.3	174	-28.4	36.5	0	0	0	112.2	E37 D38 R39 Y64	P35-E37 VanDerWaalsContact C-N 3.28Å; P35-E37 HydrophobicContact CB-CG 4.06Å; P35-E37 PolarHBondContact O-N 3.48Å; P35-D38 HydrophobicContact CB-CB 4.27Å; P35-D38 PolarHBondContact O-N 2.04Å; P35-D38 VanDerWaalsContact O-N 3.08Å; P35-R39 WeakPolarHBondContact O-CG 3.3Å; P35-R39 PolarHBondContact O-N 3.47Å; P35-Y64 HydrophobicContact CG-CE2 4.44Å
36	I	95.3	Very high	91.3	Very high	127 Å²	127	77.4 Å²	77.4	65%	0.651	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66.7	-34.2	-169.4	-172.4	163.8	0	0	0	112.3	D38	I36-D38 PolarHBondContact O-N 3.24Å
37	E	95	Very high	90.7	Very high	142 Å²	142	79.7 Å²	79.7	66%	0.664	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.3	174	53.2	-92.3	-126.8	0	0	113.4	P35	P35-E37 VanDerWaalsContact C-N 3.28Å; P35-E37 HydrophobicContact CB-CG 4.06Å; P35-E37 PolarHBondContact O-N 3.48Å
38	D	95.6	Very high	90.1	Very high	26 Å²	26	81 Å²	81	14%	0.139	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-109.9	13.3	-171.1	-63.8	-11.5	0	0	0	112.4	V34 P35 I36 F40 D63 Y64	V34-D38 HydrophobicContact CG1-CB 3.71Å; V34-D38 WeakPolarHBondContact CG1-O 3.32Å; P35-D38 HydrophobicContact CB-CB 4.27Å; P35-D38 PolarHBondContact O-N 2.04Å; P35-D38 VanDerWaalsContact O-N 3.08Å; I36-D38 PolarHBondContact O-N 3.24Å; D38-F40 WeakPolarHBondContact O-CD2 3.43Å; D38-F40 WeakPolarHBondContact O-CE2 3.46Å; D38-D63 VanDerWaalsContact CB-O 3.28Å; D38-D63 WeakPolarHBondContact CB-O 3.21Å; D38-Y64 HydrophobicContact CB-CD2 4.01Å
39	R	93.7	Very high	89.7	Confident	86 Å²	86	89.3 Å²	89.3	33%	0.325	45%	0.445	S	S	.	.			trans	-90.5	113.4	-179.8	-76.2	170.3	-166.3	169	10.2	111.5	V34 P35	V34-R39 HydrophobicContact CB-CG 4.26Å; V34-R39 HydrophobicContact CG1-CG 4.49Å; V34-R39 VanDerWaalsContact O-CZ 3.25Å; V34-R39 PolarHBondContact O-NE 2.91Å; V34-R39 PolarHBondContact O-NH2 2.61Å; P35-R39 WeakPolarHBondContact O-CG 3.3Å; P35-R39 PolarHBondContact O-N 3.47Å
40	F	92	Very high	89.5	Confident	97 Å²	97	89.9 Å²	89.9	43%	0.425	45%	0.448	S	S	.	.			trans	-103.1	-10.9	179.2	-56	-78.6	0	0	0	114.7	D38 D63 C65	D38-F40 WeakPolarHBondContact O-CD2 3.43Å; D38-F40 WeakPolarHBondContact O-CE2 3.46Å; F40-D63 VanDerWaalsContact CE2-O 3.27Å; F40-D63 WeakPolarHBondContact CE2-O 3.32Å; F40-C65 HydrophobicContact CD2-CB 4.29Å; F40-C65 HydrophobicContact CE1-CB 4.4Å; F40-C65 HydrophobicContact CE2-CB 3.66Å; F40-C65 HydrophobicContact CZ-CB 3.73Å
41	F	90.8	Very high	89.5	Confident	33 Å²	33	90.4 Å²	90.4	15%	0.145	45%	0.454	C	S	.	.			trans	-102.1	121.6	-176.5	-63.7	-74.2	0	0	0	111.8	I27 P45 P52 F55 P66	I27-F41 HydrophobicContact CD1-CE1 4.05Å; I27-F41 HydrophobicContact CD1-CZ 3.58Å; I27-F41 HydrophobicContact CG1-CZ 3.85Å; I27-F41 HydrophobicContact CG2-CE2 3.99Å; I27-F41 HydrophobicContact CG2-CZ 3.87Å; F41-P45 HydrophobicContact CD1-CB 4.12Å; F41-P45 HydrophobicContact CD1-CG 4.21Å; F41-P45 HydrophobicContact CE1-CB 4Å; F41-P45 HydrophobicContact CE1-CG 4.28Å; F41-P45 HydrophobicContact CG-CG 4.34Å; F41-P45 HydrophobicContact CZ-CB 4.5Å; F41-P45 HydrophobicContact CZ-CG 4.47Å; F41-P52 HydrophobicContact CB-CB 4.11Å; F41-F55 HydrophobicContact CD2-CB 3.76Å; F41-F55 WeakPolarHBondContact CD2-O 3.49Å; F41-F55 HydrophobicContact CE2-CB 4.09Å; F41-F55 HydrophobicContact CG-CB 4.43Å; F41-P66 HydrophobicContact CE2-CG 3.68Å; F41-P66 HydrophobicContact CZ-CB 4.46Å; F41-P66 HydrophobicContact CZ-CG 3.52Å
42	T	87.3	Confident	89.4	Confident	135 Å²	135	83.7 Å²	83.7	83%	0.828	43%	0.425	S	S	*	.	S	Bend	trans	-90.8	-18.7	171.4	55.1	0	0	0	0	112.8
43	K	87.1	Confident	89.4	Confident	168 Å²	168	84.4 Å²	84.4	73%	0.73	42%	0.417	S	S	*	.	S	Bend	trans	-130	153.7	175.3	-65.1	-176.1	179.9	-179.3	0	108.9	P45	K43-P45 WeakPolarHBondContact O-CD 3.23Å
44	D	80.3	Confident	89.4	Confident	53 Å²	53	84.3 Å²	84.3	28%	0.283	41%	0.411	S	S	.	.			trans	-59.3	127.5	177	71.4	-82.1	0	0	0	109.3	G47 T48 Y50 F55	D44-G47 WeakPolarHBondContact OD2-CA 3.27Å; D44-G47 PolarHBondContact OD2-N 3.35Å; D44-T48 PolarHBondContact OD2-N 2.72Å; D44-T48 VanDerWaalsContact OD2-O 3.09Å; D44-Y50 VanDerWaalsContact CB-O 3.22Å; D44-Y50 WeakPolarHBondContact CB-O 3.36Å; D44-F55 HydrophobicContact CB-CE2 4.48Å
45	P	77.5	Confident	89.4	Confident	11 Å²	11	84.3 Å²	84.3	7%	0.071	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-70.6	140.1	169.8	32.8	-34.2	0	0	0	107.5	I27 F41 K43 F55	I27-P45 HydrophobicContact CG2-CG 4.18Å; F41-P45 HydrophobicContact CD1-CB 4.12Å; F41-P45 HydrophobicContact CD1-CG 4.21Å; F41-P45 HydrophobicContact CE1-CB 4Å; F41-P45 HydrophobicContact CE1-CG 4.28Å; F41-P45 HydrophobicContact CG-CG 4.34Å; F41-P45 HydrophobicContact CZ-CB 4.5Å; F41-P45 HydrophobicContact CZ-CG 4.47Å; K43-P45 WeakPolarHBondContact O-CD 3.23Å; P45-F55 VanDerWaalsContact CD-CD2 3.43Å; P45-F55 VanDerWaalsContact CD-CG 3.45Å; P45-F55 HydrophobicContact CG-CB 3.56Å; P45-F55 HydrophobicContact CG-CD1 3.34Å; P45-F55 HydrophobicContact CG-CD2 3.85Å; P45-F55 HydrophobicContact CG-CE1 3.83Å; P45-F55 HydrophobicContact CG-CE2 4.28Å; P45-F55 HydrophobicContact CG-CG 3.3Å; P45-F55 HydrophobicContact CG-CZ 4.26Å
46	F	80.8	Confident	89.4	Confident	86 Å²	86	81.9 Å²	81.9	38%	0.377	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	82.3	8.3	174.5	-26.1	-48.9	0	0	0	117.6	I11 I27 T48 F55	I11-F46 HydrophobicContact CB-CD1 4.19Å; I11-F46 HydrophobicContact CB-CE1 3.63Å; I11-F46 HydrophobicContact CB-CZ 4.21Å; I11-F46 HydrophobicContact CD1-CB 4.29Å; I11-F46 HydrophobicContact CD1-CD1 3.07Å; I11-F46 HydrophobicContact CD1-CD2 4.19Å; I11-F46 HydrophobicContact CD1-CE1 3.35Å; I11-F46 HydrophobicContact CD1-CE2 4.37Å; I11-F46 HydrophobicContact CD1-CG 3.55Å; I11-F46 HydrophobicContact CD1-CZ 3.98Å; I11-F46 HydrophobicContact CG1-CD1 3.27Å; I11-F46 HydrophobicContact CG1-CE1 3.24Å; I11-F46 HydrophobicContact CG1-CG 4.25Å; I11-F46 HydrophobicContact CG1-CZ 4.15Å; I11-F46 HydrophobicContact CG2-CD1 4.06Å; I11-F46 HydrophobicContact CG2-CE1 3.08Å; I11-F46 HydrophobicContact CG2-CE2 4.33Å; I11-F46 HydrophobicContact CG2-CZ 3.24Å; I27-F46 HydrophobicContact CB-CZ 3.74Å; I27-F46 HydrophobicContact CD1-CE1 4.27Å; I27-F46 HydrophobicContact CD1-CZ 4.11Å; I27-F46 HydrophobicContact CG2-CE2 4.04Å; I27-F46 HydrophobicContact CG2-CZ 3.56Å; F46-T48 HydrophobicContact CB-CG2 3.91Å; F46-T48 HydrophobicContact CD2-CG2 4.39Å; F46-T48 PolarHBondContact O-N 2.8Å; F46-F55 HydrophobicContact CD2-CE1 4.07Å; F46-F55 HydrophobicContact CE2-CD1 4.1Å; F46-F55 AromaticContact CE2-CE1 3.88Å; F46-F55 HydrophobicContact CE2-CE1 3.88Å
47	G	79.9	Confident	89.4	Confident	72 Å²	72	75.9 Å²	75.9	74%	0.742	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	63	32.6	178.8	0	0	0	0	0	112.3	D44	D44-G47 WeakPolarHBondContact OD2-CA 3.27Å; D44-G47 PolarHBondContact OD2-N 3.35Å
48	T	82	Confident	89.3	Confident	43 Å²	43	71 Å²	71	26%	0.264	34%	0.341	S	S	.	.			trans	-81.3	173	175	76.7	0	0	0	0	110.8	D44 F46 Y50 F55	D44-T48 PolarHBondContact OD2-N 2.72Å; D44-T48 VanDerWaalsContact OD2-O 3.09Å; F46-T48 HydrophobicContact CB-CG2 3.91Å; F46-T48 HydrophobicContact CD2-CG2 4.39Å; F46-T48 PolarHBondContact O-N 2.8Å; T48-Y50 VanDerWaalsContact C-N 3.31Å; T48-Y50 HydrophobicContact CG2-CD2 4.46Å; T48-Y50 PolarHBondContact OG1-N 3.06Å; T48-F55 HydrophobicContact CG2-CZ 4.48Å
49	R	84.3	Confident	89.1	Confident	256 Å²	256	72 Å²	72	97%	0.966	35%	0.347	S	S	*	.	S	Bend	trans	-88.6	3.1	172.7	-62.8	-176	-179.6	179.3	-0.3	113.4
50	Y	88.7	Confident	89	Confident	124 Å²	124	71 Å²	71	49%	0.486	35%	0.351	S	S	.	.	S	Bend	trans	-87.1	146	-174.3	-61.2	-71	0	0	0	111.1	D44 T48 F55	D44-Y50 VanDerWaalsContact CB-O 3.22Å; D44-Y50 WeakPolarHBondContact CB-O 3.36Å; T48-Y50 VanDerWaalsContact C-N 3.31Å; T48-Y50 HydrophobicContact CG2-CD2 4.46Å; T48-Y50 PolarHBondContact OG1-N 3.06Å; Y50-F55 HydrophobicContact CD2-CZ 4.46Å
51	D	93.1	Very high	89	Confident	56 Å²	56	75.5 Å²	75.5	30%	0.299	37%	0.371	S	S	.	.			trans	-65.9	136.4	178.9	179.9	-51.8	0	0	0	111	R53 F54	D51-R53 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 WeakPolarHBondContact OD1-CB 3.36Å; D51-R53 WeakPolarHBondContact OD1-CG 3.39Å; D51-R53 IonicContact OD1-CZ 3.89Å; D51-R53 PolarHBondContact OD1-N 3.45Å; D51-R53 IonicContact OD1-NE 3.85Å; D51-R53 PolarHBondContact OD1-NE 2.81Å; D51-R53 IonicContact OD2-CZ 2.89Å; D51-R53 IonicContact OD2-NE 2.66Å; D51-R53 PolarHBondContact OD2-NE 3.22Å; D51-R53 IonicContact OD2-NH2 2.74Å; D51-R53 PolarHBondContact OD2-NH2 2.89Å; D51-F54 HydrophobicContact CB-CD2 3.86Å; D51-F54 HydrophobicContact CB-CE2 3.99Å; D51-F54 PolarHBondContact O-N 3.09Å; D51-F54 VanDerWaalsContact O-N 3.14Å
52	P	93.3	Very high	89.2	Confident	32 Å²	32	77.3 Å²	77.3	21%	0.208	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-57.5	-24.4	-177.9	20.3	-32.5	0	0	0	114.4	F41 F54 F55	F41-P52 HydrophobicContact CB-CB 4.11Å; P52-F54 PolarHBondContact O-N 2.87Å; P52-F54 VanDerWaalsContact O-N 3.09Å; P52-F55 PolarHBondContact O-N 2.85Å
53	R	95.2	Very high	89.5	Confident	114 Å²	114	75.5 Å²	75.5	43%	0.43	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-63.2	-15.2	178.8	-63.4	177.6	-69.8	165.8	-1.7	113.6	P33 V34 D51	P33-R53 CarbonylContact C-O 3.53Å; P33-R53 WeakPolarHBondContact CA-O 3.38Å; P33-R53 HydrophobicContact CB-CB 4.32Å; V34-R53 PolarHBondContact N-O 2.83Å; D51-R53 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 WeakPolarHBondContact OD1-CB 3.36Å; D51-R53 WeakPolarHBondContact OD1-CG 3.39Å; D51-R53 IonicContact OD1-CZ 3.89Å; D51-R53 PolarHBondContact OD1-N 3.45Å; D51-R53 IonicContact OD1-NE 3.85Å; D51-R53 PolarHBondContact OD1-NE 2.81Å; D51-R53 IonicContact OD2-CZ 2.89Å; D51-R53 IonicContact OD2-NE 2.66Å; D51-R53 PolarHBondContact OD2-NE 3.22Å; D51-R53 IonicContact OD2-NH2 2.74Å; D51-R53 PolarHBondContact OD2-NH2 2.89Å
54	F	95.3	Very high	89.9	Confident	54 Å²	54	70.2 Å²	70.2	24%	0.237	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-93.1	3	177.1	-65.3	-89.1	0	0	0	113.2	R29 Y30 P33 D51 P52	R29-F54 CarbonylContact C-O 3.56Å; R29-F54 WeakPolarHBondContact CA-O 3.35Å; R29-F54 HydrophobicContact CG-CB 4.25Å; Y30-F54 PolarHBondContact N-O 2.98Å; P33-F54 HydrophobicContact CG-CD1 4.4Å; P33-F54 HydrophobicContact CG-CE1 3.77Å; P33-F54 HydrophobicContact CG-CE2 4.47Å; P33-F54 HydrophobicContact CG-CZ 3.81Å; D51-F54 HydrophobicContact CB-CD2 3.86Å; D51-F54 HydrophobicContact CB-CE2 3.99Å; D51-F54 PolarHBondContact O-N 3.09Å; D51-F54 VanDerWaalsContact O-N 3.14Å; P52-F54 PolarHBondContact O-N 2.87Å; P52-F54 VanDerWaalsContact O-N 3.09Å
55	F	95	Very high	90.6	Very high	5 Å²	5	68.6 Å²	68.6	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.2	-178.9	-66	-90	0	0	0	112	I27 L28 R29 F41 D44 P45 F46 T48 Y50 P52	I27-F55 HydrophobicContact CG2-CB 4.46Å; I27-F55 HydrophobicContact CG2-CD1 4.32Å; L28-F55 WeakPolarHBondContact O-CA 3.31Å; R29-F55 HydrophobicContact CB-CD1 3.98Å; R29-F55 HydrophobicContact CB-CE1 3.71Å; R29-F55 HydrophobicContact CB-CZ 4.31Å; R29-F55 HydrophobicContact CG-CD1 4.33Å; R29-F55 HydrophobicContact CG-CE1 3.97Å; R29-F55 HydrophobicContact CG-CE2 4.49Å; R29-F55 HydrophobicContact CG-CZ 4.07Å; F41-F55 HydrophobicContact CD2-CB 3.76Å; F41-F55 WeakPolarHBondContact CD2-O 3.49Å; F41-F55 HydrophobicContact CE2-CB 4.09Å; F41-F55 HydrophobicContact CG-CB 4.43Å; D44-F55 HydrophobicContact CB-CE2 4.48Å; P45-F55 VanDerWaalsContact CD-CD2 3.43Å; P45-F55 VanDerWaalsContact CD-CG 3.45Å; P45-F55 HydrophobicContact CG-CB 3.56Å; P45-F55 HydrophobicContact CG-CD1 3.34Å; P45-F55 HydrophobicContact CG-CD2 3.85Å; P45-F55 HydrophobicContact CG-CE1 3.83Å; P45-F55 HydrophobicContact CG-CE2 4.28Å; P45-F55 HydrophobicContact CG-CG 3.3Å; P45-F55 HydrophobicContact CG-CZ 4.26Å; F46-F55 HydrophobicContact CD2-CE1 4.07Å; F46-F55 HydrophobicContact CE2-CD1 4.1Å; F46-F55 AromaticContact CE2-CE1 3.88Å; F46-F55 HydrophobicContact CE2-CE1 3.88Å; T48-F55 HydrophobicContact CG2-CZ 4.48Å; Y50-F55 HydrophobicContact CD2-CZ 4.46Å; P52-F55 PolarHBondContact O-N 2.85Å
56	G	94.9	Very high	91.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	169.9	178.6	0	0	0	0	0	110.6	I27 L28	I27-G56 CarbonylContact C-O 3.5Å; I27-G56 WeakPolarHBondContact CA-O 3.36Å; L28-G56 PolarHBondContact N-O 2.97Å; L28-G56 PolarHBondContact O-N 2.92Å
57	G	94.8	Very high	92.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.			trans	-65.6	157.7	166.2	0	0	0	0	0	111.3	Y30 D59 Y64	Y30-G57 PolarHBondContact OH-O 2.82Å; G57-D59 VanDerWaalsContact C-N 3.29Å; G57-D59 PolarHBondContact O-N 2.94Å; G57-Y64 WeakPolarHBondContact CA-O 3.2Å; G57-Y64 PolarHBondContact N-O 3.31Å
58	E	92.6	Very high	92.8	Very high	41 Å²	41	61.4 Å²	61.4	19%	0.192	28%	0.281	C	S	.	.	S	Bend	trans	-69.1	-20.4	-172.5	72.2	-71.9	177.2	0	0	115.5	S26 L28 K62	S26-E58 VanDerWaalsContact CB-CD 3.46Å; S26-E58 WeakPolarHBondContact CB-OE2 3.11Å; S26-E58 VanDerWaalsContact O-OE2 3.1Å; S26-E58 WeakPolarHBondContact OG-CB 3.39Å; S26-E58 WeakPolarHBondContact OG-CG 3.21Å; S26-E58 PolarHBondContact OG-OE2 2.82Å; L28-E58 HydrophobicContact CD1-CB 3.62Å; L28-E58 HydrophobicContact CG-CB 3.95Å; E58-K62 IonicContact OE1-NZ 3.95Å
59	D	92.5	Very high	93.3	Very high	46 Å²	46	63.8 Å²	63.8	25%	0.246	29%	0.286	C	S	.	.			trans	-106.8	109.6	-166.7	-170.1	-11.4	0	0	0	111.1	G57 F61 K62 Y64	G57-D59 VanDerWaalsContact C-N 3.29Å; G57-D59 PolarHBondContact O-N 2.94Å; D59-F61 PolarHBondContact O-N 2.85Å; D59-F61 WeakPolarHBondContact OD1-CB 3.48Å; D59-F61 PolarHBondContact OD1-N 2.97Å; D59-K62 HydrophobicContact CB-CB 4.2Å; D59-K62 HydrophobicContact CB-CD 3.89Å; D59-K62 HydrophobicContact CB-CG 3.96Å; D59-K62 PolarHBondContact O-N 2.87Å; D59-K62 WeakPolarHBondContact OD2-CE 3.46Å; D59-K62 IonicContact OD2-NZ 3.07Å; D59-Y64 PolarHBondContact O-N 2.87Å
60	P	91.5	Very high	93.7	Very high	65 Å²	65	56.4 Å²	56.4	42%	0.422	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-66.3	-20.7	177.9	28.3	-35	0	0	0	112.9	K62 D63 Y64	P60-K62 PolarHBondContact O-N 3.37Å; P60-D63 PolarHBondContact O-N 3.09Å; P60-Y64 HydrophobicContact CB-CE1 3.96Å; P60-Y64 HydrophobicContact CB-CE2 4.27Å
61	F	93	Very high	93.9	Very high	191 Å²	191	51.5 Å²	51.5	84%	0.838	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-80.3	-6.2	174.7	-62.6	-74.8	0	0	0	113.2	D59 D63	D59-F61 PolarHBondContact O-N 2.85Å; D59-F61 WeakPolarHBondContact OD1-CB 3.48Å; D59-F61 PolarHBondContact OD1-N 2.97Å; F61-D63 VanDerWaalsContact C-N 3.35Å
62	K	93.2	Very high	93.8	Very high	71 Å²	71	57 Å²	57	31%	0.309	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-102.8	21.2	167.2	-60.4	177.9	-166.2	149.7	0	111	E58 D59 P60 Y64 C65 T67	E58-K62 IonicContact OE1-NZ 3.95Å; D59-K62 HydrophobicContact CB-CB 4.2Å; D59-K62 HydrophobicContact CB-CD 3.89Å; D59-K62 HydrophobicContact CB-CG 3.96Å; D59-K62 PolarHBondContact O-N 2.87Å; D59-K62 WeakPolarHBondContact OD2-CE 3.46Å; D59-K62 IonicContact OD2-NZ 3.07Å; P60-K62 PolarHBondContact O-N 3.37Å; K62-Y64 PolarHBondContact O-N 3.43Å; K62-Y64 VanDerWaalsContact O-N 3.14Å; K62-C65 WeakPolarHBondContact O-CB 3.46Å; K62-C65 PolarHBondContact O-N 2.82Å; K62-T67 HydrophobicContact CD-CG2 4.03Å; K62-T67 PolarHBondContact NZ-OG1 3.44Å
63	D	95.6	Very high	93.7	Very high	97 Å²	97	56.2 Å²	56.2	52%	0.519	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.6	-177.6	-51.9	-37.7	0	0	0	111.1	D38 F40 P60 F61 C65	D38-D63 VanDerWaalsContact CB-O 3.28Å; D38-D63 WeakPolarHBondContact CB-O 3.21Å; F40-D63 VanDerWaalsContact CE2-O 3.27Å; F40-D63 WeakPolarHBondContact CE2-O 3.32Å; P60-D63 PolarHBondContact O-N 3.09Å; F61-D63 VanDerWaalsContact C-N 3.35Å; D63-C65 PolarHBondContact O-N 2.75Å
64	Y	95	Very high	93.4	Very high	57 Å²	57	51.7 Å²	51.7	22%	0.224	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	23.5	-174.5	-53.1	-84.1	0	0	0	114.5	Y30 V34 P35 D38 G57 D59 P60 K62 P66	Y30-Y64 HydrophobicContact CE1-CD1 4.16Å; Y30-Y64 AromaticContact CE1-CE1 3.78Å; Y30-Y64 HydrophobicContact CE1-CE1 3.78Å; Y30-Y64 AromaticContact CE2-CD1 3.92Å; Y30-Y64 HydrophobicContact CE2-CD1 3.92Å; Y30-Y64 HydrophobicContact CE2-CE1 4.35Å; Y30-Y64 AromaticContact CZ-CD1 3.54Å; Y30-Y64 AromaticContact CZ-CE1 3.65Å; Y30-Y64 WeakPolarHBondContact OH-CD1 2.73Å; V34-Y64 HydrophobicContact CG1-CD2 3.91Å; V34-Y64 HydrophobicContact CG1-CG 3.96Å; P35-Y64 HydrophobicContact CG-CE2 4.44Å; D38-Y64 HydrophobicContact CB-CD2 4.01Å; G57-Y64 WeakPolarHBondContact CA-O 3.2Å; G57-Y64 PolarHBondContact N-O 3.31Å; D59-Y64 PolarHBondContact O-N 2.87Å; P60-Y64 HydrophobicContact CB-CE1 3.96Å; P60-Y64 HydrophobicContact CB-CE2 4.27Å; K62-Y64 PolarHBondContact O-N 3.43Å; K62-Y64 VanDerWaalsContact O-N 3.14Å; Y64-P66 WeakPolarHBondContact O-CD 3.03Å
65	C	94.4	Very high	92.9	Very high	20 Å²	20	51.9 Å²	51.9	14%	0.135	26%	0.262	C	S	.	.			trans	-74.5	120.7	174.6	-159.6	0	0	0	0	110	F7 F40 K62 D63 T67	F7-C65 HydrophobicContact CD1-CB 4.25Å; F7-C65 WeakPolarHBondContact CD1-SG 3.32Å; F7-C65 HydrophobicContact CE1-CB 4Å; F7-C65 WeakPolarHBondContact CE1-SG 3.49Å; F40-C65 HydrophobicContact CD2-CB 4.29Å; F40-C65 HydrophobicContact CE1-CB 4.4Å; F40-C65 HydrophobicContact CE2-CB 3.66Å; F40-C65 HydrophobicContact CZ-CB 3.73Å; K62-C65 WeakPolarHBondContact O-CB 3.46Å; K62-C65 PolarHBondContact O-N 2.82Å; D63-C65 PolarHBondContact O-N 2.75Å; C65-T67 PolarHBondContact O-N 3.17Å
66	P	94.3	Very high	92.4	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.026	30%	0.304	C	S	.	.			trans	-65.2	133.1	-177.9	-16.9	27.5	0	0	0	112.6	F7 C8 I27 F41 Y64	F7-P66 WeakPolarHBondContact CA-O 3.42Å; C8-P66 PolarHBondContact N-O 3.3Å; C8-P66 WeakPolarHBondContact O-CB 3.41Å; I27-P66 HydrophobicContact CD1-CB 4.33Å; I27-P66 HydrophobicContact CG1-CB 3.66Å; I27-P66 HydrophobicContact CG1-CG 4.03Å; F41-P66 HydrophobicContact CE2-CG 3.68Å; F41-P66 HydrophobicContact CZ-CB 4.46Å; F41-P66 HydrophobicContact CZ-CG 3.52Å; Y64-P66 WeakPolarHBondContact O-CD 3.03Å
67	T	94.8	Very high	92.3	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160.9	178.7	58.4	0	0	0	0	112.2	P6 F7 C8 S26 K62 C65 Y69	P6-T67 HydrophobicContact CG-CG2 4.31Å; P6-T67 CarbonylContact O-C 3.6Å; P6-T67 WeakPolarHBondContact O-CA 3.47Å; F7-T67 HydrophobicContact CD1-CG2 3.78Å; F7-T67 HydrophobicContact CE1-CG2 4.11Å; C8-T67 PolarHBondContact SG-O 2.69Å; S26-T67 PolarHBondContact N-O 3.41Å; S26-T67 VanDerWaalsContact N-O 3.11Å; K62-T67 HydrophobicContact CD-CG2 4.03Å; K62-T67 PolarHBondContact NZ-OG1 3.44Å; C65-T67 PolarHBondContact O-N 3.17Å; T67-Y69 PolarHBondContact O-N 3.28Å
68	L	95.3	Very high	92.3	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	117.8	171.3	-64.1	175.9	0	0	0	109.7	V5 P6 C8 T15 R17 T24 C25	V5-L68 HydrophobicContact CG1-CD1 4.16Å; P6-L68 PolarHBondContact O-N 2.82Å; C8-L68 HydrophobicContact CB-CD2 3.9Å; C8-L68 HydrophobicContact CB-CG 4.25Å; T15-L68 HydrophobicContact CG2-CD1 3.57Å; T15-L68 HydrophobicContact CG2-CD2 3.77Å; T15-L68 HydrophobicContact CG2-CG 4.34Å; R17-L68 HydrophobicContact CB-CB 4.1Å; R17-L68 HydrophobicContact CB-CD1 3.93Å; R17-L68 WeakPolarHBondContact CD-O 3.26Å; R17-L68 HydrophobicContact CG-CB 4.01Å; R17-L68 HydrophobicContact CG-CD1 4.38Å; R17-L68 PolarHBondContact NE-O 2.97Å; T24-L68 WeakPolarHBondContact O-CA 3.04Å; C25-L68 HydrophobicContact CB-CD2 4.45Å
69	Y	93.1	Very high	92.5	Very high	94 Å²	94	62.9 Å²	62.9	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	153.8	175.2	-166.9	-98.6	0	0	0	110.8	G23 T24 T67	G23-Y69 CarbonylContact C-O 3.56Å; G23-Y69 WeakPolarHBondContact CA-O 3.46Å; T24-Y69 PolarHBondContact N-O 3.31Å; T24-Y69 PolarHBondContact O-N 2.7Å; T67-Y69 PolarHBondContact O-N 3.28Å
70	Y	92.1	Very high	92.8	Very high	101 Å²	101	60.7 Å²	60.7	40%	0.396	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-68.5	153.8	179.5	69.9	-95.1	0	0	0	111.6	S82 F83	Y70-S82 WeakPolarHBondContact CA-OG 3.29Å; Y70-F83 HydrophobicContact CG-CE2 4.08Å
71	V	92	Very high	93	Very high	21 Å²	21	59 Å²	59	13%	0.127	31%	0.306	C	S	.	.			trans	-109.2	132.7	179.7	-165.5	0	0	0	0	108.9	Y22 T24 G73 T81 S82	Y22-V71 HydrophobicContact CD2-CG2 4.15Å; Y22-V71 HydrophobicContact CE2-CB 4.05Å; Y22-V71 HydrophobicContact CE2-CG2 4.05Å; T24-V71 HydrophobicContact CG2-CG2 3.76Å; V71-G73 VanDerWaalsContact C-N 3.29Å; V71-G73 WeakPolarHBondContact CG1-O 3.46Å; V71-T81 CarbonylContact O-C 3.41Å; V71-T81 VanDerWaalsContact O-CA 3.25Å; V71-T81 WeakPolarHBondContact O-CA 3.49Å; V71-S82 PolarHBondContact N-OG 2.92Å; V71-S82 PolarHBondContact O-N 2.85Å
72	K	92.1	Very high	93.2	Very high	170 Å²	170	50 Å²	50	74%	0.739	27%	0.266	S	S	*	.	S	Bend	trans	-74.3	-19.4	177.6	-170	177	176.6	-175.7	0	113.2
73	G	90	Very high	93.5	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	27%	0.268	C	S	.	.			trans	-179.9	150.4	179.8	0	0	0	0	0	111.8	V71 Y78 A80	V71-G73 VanDerWaalsContact C-N 3.29Å; V71-G73 WeakPolarHBondContact CG1-O 3.46Å; G73-Y78 VanDerWaalsContact CA-O 3.28Å; G73-Y78 WeakPolarHBondContact CA-O 3.13Å; G73-A80 WeakPolarHBondContact CA-O 3.49Å
74	L	89.2	Confident	93.6	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.105	24%	0.243	C	C	.	.	S	Bend	trans	-92.5	97.4	170.5	-71.9	179.6	0	0	0	109.8	A14 Y22 Y78 Y100 V131	A14-L74 HydrophobicContact CB-CD2 4.17Å; Y22-L74 HydrophobicContact CE2-CD1 4.13Å; Y22-L74 HydrophobicContact CE2-CD2 3.83Å; Y22-L74 HydrophobicContact CE2-CG 3.91Å; Y22-L74 WeakPolarHBondContact OH-CG 3.02Å; L74-Y78 HydrophobicContact CB-CD1 4.47Å; L74-Y78 WeakPolarHBondContact O-CB 3.35Å; L74-Y100 HydrophobicContact CB-CD2 4.34Å; L74-Y100 HydrophobicContact CB-CE2 4.26Å; L74-Y100 HydrophobicContact CD1-CD2 3.73Å; L74-Y100 HydrophobicContact CD1-CE2 3.97Å; L74-Y100 HydrophobicContact CD1-CG 4.34Å; L74-V131 HydrophobicContact CD1-CG1 3.98Å; L74-V131 HydrophobicContact CD2-CG2 3.99Å
75	G	85.6	Confident	93.8	Very high	58 Å²	58	45.9 Å²	45.9	60%	0.598	25%	0.25	S	S	*	.	S	Bend	trans	103.4	-176.3	-174.2	0	0	0	0	0	112.2
76	S	84.9	Confident	93.9	Very high	128 Å²	128	48.7 Å²	48.7	90%	0.895	26%	0.261	S	S	*	.	S	Bend	trans	-84.6	-26.7	-174.9	50.6	0	0	0	0	113.9
77	D	91.7	Very high	94.1	Very high	50 Å²	50	56.2 Å²	56.2	27%	0.267	29%	0.294	S	S	.	.	S	Bend	trans	-104.6	-20	-172.1	63.1	-44.4	0	0	0	114	G96 T97 R99	D77-G96 VanDerWaalsContact O-CA 3.3Å; D77-G96 WeakPolarHBondContact O-CA 3.34Å; D77-T97 WeakPolarHBondContact OD2-CB 3.47Å; D77-T97 PolarHBondContact OD2-N 3.02Å; D77-T97 PolarHBondContact OD2-OG1 2.04Å; D77-R99 IonicContact OD1-NH1 2.98Å; D77-R99 PolarHBondContact OD1-NH1 2.94Å; D77-R99 VanDerWaalsContact OD1-NH1 3.16Å
78	Y	95.7	Very high	94.2	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.027	32%	0.317	C	S	.	.			trans	-84.1	119.2	-175.4	-172.9	-107.4	0	0	0	112.3	G73 L74 A80 S93 N98 Y104	G73-Y78 VanDerWaalsContact CA-O 3.28Å; G73-Y78 WeakPolarHBondContact CA-O 3.13Å; L74-Y78 HydrophobicContact CB-CD1 4.47Å; L74-Y78 WeakPolarHBondContact O-CB 3.35Å; Y78-A80 HydrophobicContact CD1-CB 4.4Å; Y78-A80 HydrophobicContact CE1-CB 3.58Å; Y78-A80 HydrophobicContact CE2-CB 4.47Å; Y78-S93 WeakPolarHBondContact OH-CB 3.34Å; Y78-N98 HydrophobicContact CD2-CB 4.16Å; Y78-N98 HydrophobicContact CE2-CB 3.6Å; Y78-Y104 WeakPolarHBondContact OH-CE2 3.02Å; Y78-Y104 PolarHBondContact OH-OH 3.2Å
79	E	97.1	Very high	94.3	Very high	92 Å²	92	61 Å²	61	43%	0.43	32%	0.316	S	S	.	.			trans	-93.8	-11	-170.2	-66.5	-172.1	-156.1	0	0	115.6	L92 K95	E79-L92 HydrophobicContact CB-CB 4.24Å; E79-L92 HydrophobicContact CB-CD2 4.16Å; E79-K95 HydrophobicContact CB-CB 4.08Å; E79-K95 HydrophobicContact CB-CD 4.4Å; E79-K95 HydrophobicContact CG-CB 3.98Å; E79-K95 HydrophobicContact CG-CD 4.26Å; E79-K95 PolarHBondContact N-O 3.08Å; E79-K95 WeakPolarHBondContact OE1-CD 3.16Å; E79-K95 WeakPolarHBondContact OE2-CD 3.35Å; E79-K95 IonicContact OE2-NZ 3.86Å; E79-K95 PolarHBondContact OE2-NZ 3.16Å
80	A	97.7	Very high	94.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.			trans	-74.4	134.8	-179.5	0	0	0	0	0	111.6	G73 Y78 N89 L92 Y104	G73-A80 WeakPolarHBondContact CA-O 3.49Å; Y78-A80 HydrophobicContact CD1-CB 4.4Å; Y78-A80 HydrophobicContact CE1-CB 3.58Å; Y78-A80 HydrophobicContact CE2-CB 4.47Å; A80-N89 HydrophobicContact CB-CB 4.11Å; A80-L92 HydrophobicContact CB-CB 4.09Å; A80-Y104 HydrophobicContact CB-CE1 4.43Å; A80-Y104 HydrophobicContact CB-CE2 3.91Å
81	T	97.3	Very high	94.8	Very high	30 Å²	30	58.2 Å²	58.2	18%	0.184	32%	0.322	C	S	.	.			trans	-79.3	172	-179.9	68.8	0	0	0	0	111.9	V71 F83 N89 Y104	V71-T81 CarbonylContact O-C 3.41Å; V71-T81 VanDerWaalsContact O-CA 3.25Å; V71-T81 WeakPolarHBondContact O-CA 3.49Å; T81-F83 PolarHBondContact O-N 3.39Å; T81-F83 VanDerWaalsContact O-N 3.13Å; T81-N89 PolarHBondContact N-OD1 2.9Å; T81-N89 PolarHBondContact O-ND2 3Å; T81-N89 VanDerWaalsContact O-ND2 3.1Å; T81-N89 PolarHBondContact OG1-ND2 3.31Å; T81-N89 PolarHBondContact OG1-OD1 2.85Å; T81-N89 VanDerWaalsContact OG1-OD1 3.13Å; T81-Y104 WeakPolarHBondContact O-CE1 2.98Å
82	S	97.2	Very high	95.1	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-75.9	6.4	-177.2	69.1	0	0	0	0	116.7	S21 Y22 Y70 V71	S21-S82 WeakPolarHBondContact CA-O 2.91Å; S21-S82 WeakPolarHBondContact CB-O 3.01Å; Y22-S82 VanDerWaalsContact CD2-CB 3.44Å; Y22-S82 VanDerWaalsContact CE1-CA 3.47Å; Y22-S82 VanDerWaalsContact CZ-CA 3.49Å; Y22-S82 VanDerWaalsContact CZ-CB 3.45Å; Y22-S82 PolarHBondContact N-O 3.02Å; Y22-S82 VanDerWaalsContact N-O 3.14Å; Y22-S82 WeakPolarHBondContact O-CB 3.14Å; Y22-S82 PolarHBondContact O-OG 3.06Å; Y70-S82 WeakPolarHBondContact CA-OG 3.29Å; V71-S82 PolarHBondContact N-OG 2.92Å; V71-S82 PolarHBondContact O-N 2.85Å
83	F	98.1	Very high	95.3	Very high	78 Å²	78	51.4 Å²	51.4	34%	0.342	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-89.3	108.6	176.5	-67.6	-79.9	0	0	0	111.5	Y70 T81 T85 H86 N89 Y104	Y70-F83 HydrophobicContact CG-CE2 4.08Å; T81-F83 PolarHBondContact O-N 3.39Å; T81-F83 VanDerWaalsContact O-N 3.13Å; F83-T85 VanDerWaalsContact C-N 3.32Å; F83-T85 PolarHBondContact O-N 2.04Å; F83-H86 HydrophobicContact CB-CB 3.9Å; F83-H86 PolarHBondContact O-N 2.82Å; F83-N89 PolarHBondContact O-ND2 2.9Å; F83-Y104 WeakPolarHBondContact O-CD1 3.15Å
84	C	98.5	Very high	95.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.2	-170.5	-55.1	0	0	0	0	113.3	Y20 Y104 G105 S108 M109 C135	Y20-C84 WeakPolarHBondContact O-CB 2.97Å; Y20-C84 PolarHBondContact O-N 3.35Å; Y20-C84 PolarHBondContact O-SG 2.94Å; C84-Y104 WeakPolarHBondContact O-CA 3.35Å; C84-Y104 WeakPolarHBondContact O-CD1 3.49Å; C84-G105 PolarHBondContact O-N 3.34Å; C84-G105 VanDerWaalsContact O-N 3.17Å; C84-S108 WeakPolarHBondContact O-CB 3.19Å; C84-M109 VanDerWaalsContact SG-C 3.54Å; C84-C135 WeakPolarHBondContact CA-SG 3.08Å; C84-C135 HydrophobicContact CB-CB 3.58Å; C84-C135 WeakPolarHBondContact CB-SG 3.49Å; C84-C135 PolarHBondContact N-SG 3.41Å; C84-C135 VanDerWaalsContact N-SG 3.44Å; C84-C135 WeakPolarHBondContact SG-CA 3.13Å; C84-C135 WeakPolarHBondContact SG-CB 3.43Å; C84-C135 CovalentContact SG-SG 2.04Å; C84-C135 PolarHBondContact SG-SG 3.44Å
85	T	98.2	Very high	95.9	Very high	62 Å²	62	61.6 Å²	61.6	38%	0.38	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.9	-175.3	58.4	0	0	0	0	114.5	Y20 F83 K87 G105 S108	Y20-T85 HydrophobicContact CD1-CG2 3.95Å; Y20-T85 HydrophobicContact CG-CG2 4.39Å; F83-T85 VanDerWaalsContact C-N 3.32Å; F83-T85 PolarHBondContact O-N 2.04Å; T85-K87 PolarHBondContact O-N 3.2Å; T85-G105 WeakPolarHBondContact CA-O 3.44Å; T85-S108 VanDerWaalsContact CG2-O 3.25Å; T85-S108 WeakPolarHBondContact CG2-O 3.12Å
86	H	97.6	Very high	96.3	Very high	79 Å²	79	60.9 Å²	60.9	37%	0.366	33%	0.328	S	S	.	.			trans	-72.2	124.1	-176.8	-159.5	-95.6	0	0	0	111.3	F83 E88 N89	F83-H86 HydrophobicContact CB-CB 3.9Å; F83-H86 PolarHBondContact O-N 2.82Å; H86-E88 VanDerWaalsContact C-N 3.26Å; H86-E88 VanDerWaalsContact CE1-CD 3.45Å; H86-E88 IonicContact CE1-OE1 2.9Å; H86-E88 IonicContact CE1-OE2 3.95Å; H86-E88 PolarHBondContact CE1-OE2 3.27Å; H86-E88 IonicContact ND1-OE2 3.33Å; H86-E88 PolarHBondContact O-N 3.35Å; H86-N89 WeakPolarHBondContact O-CB 3.24Å; H86-N89 PolarHBondContact O-N 3.45Å; H86-N89 VanDerWaalsContact O-N 3.07Å
87	K	97.6	Very high	96.8	Very high	162 Å²	162	57 Å²	57	70%	0.704	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.6	-173.9	66.1	-179.5	-179.6	177.9	0	113.7	T85 N89 I90	T85-K87 PolarHBondContact O-N 3.2Å; K87-N89 PolarHBondContact O-N 3.37Å; K87-I90 WeakPolarHBondContact O-CB 3.47Å; K87-I90 WeakPolarHBondContact O-CG1 3.29Å; K87-I90 PolarHBondContact O-N 2.8Å
88	E	97.3	Very high	97	Very high	113 Å²	113	55.3 Å²	55.3	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-29.7	-179	-64.4	175.4	-178.5	0	0	112.1	H86 I90 A91 L92	H86-E88 VanDerWaalsContact C-N 3.26Å; H86-E88 VanDerWaalsContact CE1-CD 3.45Å; H86-E88 IonicContact CE1-OE1 2.9Å; H86-E88 IonicContact CE1-OE2 3.95Å; H86-E88 PolarHBondContact CE1-OE2 3.27Å; H86-E88 IonicContact ND1-OE2 3.33Å; H86-E88 PolarHBondContact O-N 3.35Å; E88-I90 PolarHBondContact O-N 3.11Å; E88-I90 VanDerWaalsContact O-N 3.16Å; E88-A91 PolarHBondContact O-N 2.89Å; E88-A91 VanDerWaalsContact O-N 3.14Å; E88-L92 HydrophobicContact CB-CD1 4.42Å; E88-L92 WeakPolarHBondContact O-CG 3.31Å; E88-L92 PolarHBondContact O-N 2.76Å
89	N	98	Very high	97	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-16.8	178.6	-74	-18.7	0	0	0	112.7	A80 T81 F83 H86 K87 S93 Y104	A80-N89 HydrophobicContact CB-CB 4.11Å; T81-N89 PolarHBondContact N-OD1 2.9Å; T81-N89 PolarHBondContact O-ND2 3Å; T81-N89 VanDerWaalsContact O-ND2 3.1Å; T81-N89 PolarHBondContact OG1-ND2 3.31Å; T81-N89 PolarHBondContact OG1-OD1 2.85Å; T81-N89 VanDerWaalsContact OG1-OD1 3.13Å; F83-N89 PolarHBondContact O-ND2 2.9Å; H86-N89 WeakPolarHBondContact O-CB 3.24Å; H86-N89 PolarHBondContact O-N 3.45Å; H86-N89 VanDerWaalsContact O-N 3.07Å; K87-N89 PolarHBondContact O-N 3.37Å; N89-S93 WeakPolarHBondContact O-CB 3.3Å; N89-S93 PolarHBondContact O-N 2.79Å; N89-S93 PolarHBondContact O-OG 3.47Å; N89-Y104 HydrophobicContact CB-CD1 3.32Å; N89-Y104 HydrophobicContact CB-CD2 4.17Å; N89-Y104 HydrophobicContact CB-CE1 3.77Å; N89-Y104 HydrophobicContact CB-CG 3.54Å
90	I	97.6	Very high	97	Very high	71 Å²	71	54.9 Å²	54.9	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-55.3	170.8	-59.9	173.9	0	0	0	109	K87 E88 S93 H94 Y104	K87-I90 WeakPolarHBondContact O-CB 3.47Å; K87-I90 WeakPolarHBondContact O-CG1 3.29Å; K87-I90 PolarHBondContact O-N 2.8Å; E88-I90 PolarHBondContact O-N 3.11Å; E88-I90 VanDerWaalsContact O-N 3.16Å; I90-S93 PolarHBondContact O-OG 2.89Å; I90-H94 PolarHBondContact O-CD2 2.67Å; I90-H94 PolarHBondContact O-NE2 3.39Å; I90-Y104 WeakPolarHBondContact CG1-O 3.36Å
91	A	97.7	Very high	97	Very high	65 Å²	65	54.9 Å²	54.9	54%	0.537	28%	0.284	S	S	.	.	H	α-helix	trans	-69.8	-43	179.4	0	0	0	0	0	112.3	E88 S93 H94	E88-A91 PolarHBondContact O-N 2.89Å; E88-A91 VanDerWaalsContact O-N 3.14Å; A91-S93 PolarHBondContact O-N 3.07Å; A91-H94 PolarHBondContact O-N 3.36Å
92	L	97.6	Very high	97	Very high	36 Å²	36	53.6 Å²	53.6	19%	0.188	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-27.4	-179.5	-62.3	173.5	0	0	0	112.6	E79 A80 E88 H94 K95	E79-L92 HydrophobicContact CB-CB 4.24Å; E79-L92 HydrophobicContact CB-CD2 4.16Å; A80-L92 HydrophobicContact CB-CB 4.09Å; E88-L92 HydrophobicContact CB-CD1 4.42Å; E88-L92 WeakPolarHBondContact O-CG 3.31Å; E88-L92 PolarHBondContact O-N 2.76Å; L92-H94 PolarHBondContact O-N 3.19Å; L92-H94 VanDerWaalsContact O-N 3.15Å; L92-K95 HydrophobicContact CD2-CD 4.08Å; L92-K95 WeakPolarHBondContact O-CB 3.43Å; L92-K95 PolarHBondContact O-N 3.14Å
93	S	96.4	Very high	97.1	Very high	12 Å²	12	54.4 Å²	54.4	8%	0.084	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.5	177.7	72.5	0	0	0	0	114.2	Y78 N89 I90 A91	Y78-S93 WeakPolarHBondContact OH-CB 3.34Å; N89-S93 WeakPolarHBondContact O-CB 3.3Å; N89-S93 PolarHBondContact O-N 2.79Å; N89-S93 PolarHBondContact O-OG 3.47Å; I90-S93 PolarHBondContact O-OG 2.89Å; A91-S93 PolarHBondContact O-N 3.07Å
94	H	95.6	Very high	97.1	Very high	152 Å²	152	50.9 Å²	50.9	70%	0.704	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.4	173.3	-61	-67.7	0	0	0	113.3	I90 A91 L92	I90-H94 PolarHBondContact O-CD2 2.67Å; I90-H94 PolarHBondContact O-NE2 3.39Å; A91-H94 PolarHBondContact O-N 3.36Å; L92-H94 PolarHBondContact O-N 3.19Å; L92-H94 VanDerWaalsContact O-N 3.15Å
95	K	96.2	Very high	97	Very high	97 Å²	97	51 Å²	51	42%	0.422	27%	0.266	S	S	.	.	S	Bend	trans	-98.4	120.4	176.6	-60.8	-175.6	-178.6	-175.4	0	110	E79 L92	E79-K95 HydrophobicContact CB-CB 4.08Å; E79-K95 HydrophobicContact CB-CD 4.4Å; E79-K95 HydrophobicContact CG-CB 3.98Å; E79-K95 HydrophobicContact CG-CD 4.26Å; E79-K95 PolarHBondContact N-O 3.08Å; E79-K95 WeakPolarHBondContact OE1-CD 3.16Å; E79-K95 WeakPolarHBondContact OE2-CD 3.35Å; E79-K95 IonicContact OE2-NZ 3.86Å; E79-K95 PolarHBondContact OE2-NZ 3.16Å; L92-K95 HydrophobicContact CD2-CD 4.08Å; L92-K95 WeakPolarHBondContact O-CB 3.43Å; L92-K95 PolarHBondContact O-N 3.14Å
96	G	94.7	Very high	96.9	Very high	44 Å²	44	53.4 Å²	53.4	45%	0.454	28%	0.283	S	S	.	.	S	Bend	trans	77	-169.9	-172.6	0	0	0	0	0	113.9	D77 N98	D77-G96 VanDerWaalsContact O-CA 3.3Å; D77-G96 WeakPolarHBondContact O-CA 3.34Å; G96-N98 PolarHBondContact O-N 3.2Å
97	T	94.7	Very high	96.8	Very high	45 Å²	45	54.6 Å²	54.6	28%	0.276	29%	0.292	S	S	.	.			trans	-90.9	106.5	-171.7	-46.5	0	0	0	0	111.3	D77 R99 Y119	D77-T97 WeakPolarHBondContact OD2-CB 3.47Å; D77-T97 PolarHBondContact OD2-N 3.02Å; D77-T97 PolarHBondContact OD2-OG1 2.04Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 HydrophobicContact CG2-CG 3.66Å; T97-R99 PolarHBondContact O-N 3.13Å; T97-Y119 HydrophobicContact CG2-CE1 4.3Å
98	N	95.9	Very high	96.9	Very high	16 Å²	16	46.9 Å²	46.9	9%	0.086	26%	0.259	C	S	.	.			trans	-77.2	69.8	174.8	-169.5	-3.1	0	0	0	112.1	Y78 G96 Y100 Y101 Q102	Y78-N98 HydrophobicContact CD2-CB 4.16Å; Y78-N98 HydrophobicContact CE2-CB 3.6Å; G96-N98 PolarHBondContact O-N 3.2Å; N98-Y100 VanDerWaalsContact C-N 3.25Å; N98-Y100 PolarHBondContact O-N 3.13Å; N98-Y101 WeakPolarHBondContact O-CD1 3.49Å; N98-Y101 PolarHBondContact O-N 2.97Å; N98-Y101 VanDerWaalsContact O-N 3.14Å; N98-Y101 PolarHBondContact OD1-N 2.75Å; N98-Q102 PolarHBondContact ND2-N 2.92Å; N98-Q102 PolarHBondContact ND2-O 2.68Å; N98-Q102 PolarHBondContact OD1-N 3.44Å
99	R	96.1	Very high	96.9	Very high	70 Å²	70	41.6 Å²	41.6	26%	0.264	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.3	-174.8	-65	-176.5	-178.2	81.9	3.1	114.1	D77 T97 Y119 L127 L175	D77-R99 IonicContact OD1-NH1 2.98Å; D77-R99 PolarHBondContact OD1-NH1 2.94Å; D77-R99 VanDerWaalsContact OD1-NH1 3.16Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 HydrophobicContact CG2-CG 3.66Å; T97-R99 PolarHBondContact O-N 3.13Å; R99-Y119 HydrophobicContact CB-CD1 4.34Å; R99-Y119 HydrophobicContact CB-CD2 4.42Å; R99-Y119 HydrophobicContact CB-CG 4.11Å; R99-Y119 HydrophobicContact CG-CD1 3.95Å; R99-Y119 HydrophobicContact CG-CE1 4.18Å; R99-Y119 HydrophobicContact CG-CG 4.24Å; R99-Y119 WeakPolarHBondContact O-CD2 3.33Å; R99-L127 HydrophobicContact CB-CD1 4.37Å; R99-L127 HydrophobicContact CB-CD2 4Å; R99-L175 WeakPolarHBondContact O-CD1 3.18Å
100	Y	96.8	Very high	96.9	Very high	20 Å²	20	41.9 Å²	41.9	8%	0.078	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	5.6	-179.9	-64.9	-84.4	0	0	0	113.5	L74 N98 Q102 H113 W117 L127 V131 H136	L74-Y100 HydrophobicContact CB-CD2 4.34Å; L74-Y100 HydrophobicContact CB-CE2 4.26Å; L74-Y100 HydrophobicContact CD1-CD2 3.73Å; L74-Y100 HydrophobicContact CD1-CE2 3.97Å; L74-Y100 HydrophobicContact CD1-CG 4.34Å; N98-Y100 VanDerWaalsContact C-N 3.25Å; N98-Y100 PolarHBondContact O-N 3.13Å; Y100-Q102 PolarHBondContact O-N 3.14Å; Y100-Q102 VanDerWaalsContact O-N 3.16Å; Y100-H113 AromaticContact CD1-CE1 3.66Å; Y100-W117 AromaticContact CD1-CE3 3.81Å; Y100-W117 HydrophobicContact CD1-CE3 3.81Å; Y100-W117 HydrophobicContact CD1-CZ3 4.1Å; Y100-W117 HydrophobicContact CE1-CE3 4.45Å; Y100-L127 HydrophobicContact CD1-CD1 3.77Å; Y100-L127 HydrophobicContact CE1-CB 3.96Å; Y100-L127 HydrophobicContact CE1-CD1 3.52Å; Y100-L127 HydrophobicContact CE1-CG 4.35Å; Y100-L127 HydrophobicContact CE2-CD1 4.4Å; Y100-L127 HydrophobicContact CG-CD1 4.32Å; Y100-L127 PolarHBondContact OH-O 2.85Å; Y100-V131 HydrophobicContact CD1-CG1 4.18Å; Y100-V131 HydrophobicContact CE1-CB 3.73Å; Y100-V131 HydrophobicContact CE1-CG1 3.69Å; Y100-V131 HydrophobicContact CE1-CG2 4.25Å; Y100-V131 HydrophobicContact CE2-CB 4.46Å; Y100-V131 HydrophobicContact CE2-CG1 4.37Å; Y100-V131 HydrophobicContact CE2-CG2 4.13Å; Y100-V131 WeakPolarHBondContact OH-CB 3.41Å; Y100-V131 WeakPolarHBondContact OH-CG2 3.35Å; Y100-H136 PolarHBondContact O-CE1 3.27Å; Y100-H136 VanDerWaalsContact O-CE1 3.27Å
101	Y	97.6	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.219	C	C	.	.			trans	52.3	37.9	-178.3	-73.5	10.1	0	0	0	113	N98 Y119 H136 F150 K151 V168 D170 T173 R174 L175	N98-Y101 WeakPolarHBondContact O-CD1 3.49Å; N98-Y101 PolarHBondContact O-N 2.97Å; N98-Y101 VanDerWaalsContact O-N 3.14Å; N98-Y101 PolarHBondContact OD1-N 2.75Å; Y101-Y119 HydrophobicContact CE1-CD2 4.18Å; Y101-Y119 AromaticContact CE1-CE2 3.75Å; Y101-Y119 HydrophobicContact CE1-CE2 3.75Å; Y101-H136 PolarHBondContact O-CE1 2.88Å; Y101-H136 PolarHBondContact O-ND1 3.1Å; Y101-F150 HydrophobicContact CD2-CB 4.1Å; Y101-F150 WeakPolarHBondContact O-CA 3.2Å; Y101-K151 HydrophobicContact CD1-CD 3.72Å; Y101-K151 HydrophobicContact CD1-CG 4.14Å; Y101-K151 HydrophobicContact CD2-CB 4.48Å; Y101-K151 HydrophobicContact CD2-CD 4.28Å; Y101-K151 HydrophobicContact CD2-CG 4.29Å; Y101-K151 HydrophobicContact CE1-CD 3.93Å; Y101-K151 HydrophobicContact CG-CD 3.91Å; Y101-K151 HydrophobicContact CG-CG 3.87Å; Y101-K151 PolarHBondContact O-N 3.21Å; Y101-V168 HydrophobicContact CD2-CG2 3.79Å; Y101-V168 HydrophobicContact CE2-CG2 3.9Å; Y101-D170 HydrophobicContact CE1-CB 4.31Å; Y101-D170 HydrophobicContact CE2-CB 3.82Å; Y101-D170 PolarHBondContact OH-N 2.78Å; Y101-T173 WeakPolarHBondContact OH-CB 3.47Å; Y101-T173 PolarHBondContact OH-O 3.24Å; Y101-T173 PolarHBondContact OH-OG1 2.86Å; Y101-R174 PolarHBondContact OH-N 3.38Å; Y101-L175 HydrophobicContact CD1-CB 4.44Å; Y101-L175 HydrophobicContact CD1-CD2 4.37Å; Y101-L175 HydrophobicContact CD2-CB 3.87Å; Y101-L175 HydrophobicContact CD2-CD2 4.08Å; Y101-L175 HydrophobicContact CE1-CB 4.42Å; Y101-L175 HydrophobicContact CE2-CB 3.77Å; Y101-L175 HydrophobicContact CG-CB 4.19Å; Y101-L175 HydrophobicContact CG-CD2 3.81Å
102	Q	97.9	Very high	96.9	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	21%	0.21	C	C	.	.			trans	-65	142.3	-178.2	-56.2	-162.6	83.5	0	0	110.6	Y22 N98 Y100 Y104 C135	Y22-Q102 PolarHBondContact OH-NE2 2.88Å; N98-Q102 PolarHBondContact ND2-N 2.92Å; N98-Q102 PolarHBondContact ND2-O 2.68Å; N98-Q102 PolarHBondContact OD1-N 3.44Å; Y100-Q102 PolarHBondContact O-N 3.14Å; Y100-Q102 VanDerWaalsContact O-N 3.16Å; Q102-Y104 HydrophobicContact CB-CE2 3.62Å; Q102-Y104 VanDerWaalsContact CD-OH 3.27Å; Q102-Y104 PolarHBondContact NE2-OH 3.26Å; Q102-Y104 VanDerWaalsContact NE2-OH 3.17Å; Q102-Y104 PolarHBondContact OE1-OH 3.17Å; Q102-C135 CarbonylContact C-O 3.55Å; Q102-C135 WeakPolarHBondContact CA-O 3.49Å; Q102-C135 WeakPolarHBondContact CB-O 3.5Å
103	T	98.3	Very high	96.9	Very high	18 Å²	18	37 Å²	37	11%	0.11	20%	0.203	C	C	.	.			trans	-133	132.8	177.6	55.5	0	0	0	0	110.8	S108 C135 H136 K137 Y149	T103-S108 WeakPolarHBondContact O-CB 3.11Å; T103-S108 PolarHBondContact O-OG 3.27Å; T103-C135 PolarHBondContact N-O 3.36Å; T103-H136 CarbonylContact O-C 3.59Å; T103-H136 WeakPolarHBondContact O-CA 3.11Å; T103-H136 WeakPolarHBondContact OG1-CA 3.41Å; T103-K137 PolarHBondContact O-N 2.91Å; T103-K137 PolarHBondContact OG1-N 3.14Å; T103-Y149 PolarHBondContact OG1-O 2.9Å
104	Y	98.2	Very high	96.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.016	22%	0.222	C	C	.	.			trans	-118.7	150.2	-169.8	-62.4	-96.6	0	0	0	112.5	Y78 A80 T81 F83 C84 N89 I90 Q102 S108 C135 K137	Y78-Y104 WeakPolarHBondContact OH-CE2 3.02Å; Y78-Y104 PolarHBondContact OH-OH 3.2Å; A80-Y104 HydrophobicContact CB-CE1 4.43Å; A80-Y104 HydrophobicContact CB-CE2 3.91Å; T81-Y104 WeakPolarHBondContact O-CE1 2.98Å; F83-Y104 WeakPolarHBondContact O-CD1 3.15Å; C84-Y104 WeakPolarHBondContact O-CA 3.35Å; C84-Y104 WeakPolarHBondContact O-CD1 3.49Å; N89-Y104 HydrophobicContact CB-CD1 3.32Å; N89-Y104 HydrophobicContact CB-CD2 4.17Å; N89-Y104 HydrophobicContact CB-CE1 3.77Å; N89-Y104 HydrophobicContact CB-CG 3.54Å; I90-Y104 WeakPolarHBondContact CG1-O 3.36Å; Q102-Y104 HydrophobicContact CB-CE2 3.62Å; Q102-Y104 VanDerWaalsContact CD-OH 3.27Å; Q102-Y104 PolarHBondContact NE2-OH 3.26Å; Q102-Y104 VanDerWaalsContact NE2-OH 3.17Å; Q102-Y104 PolarHBondContact OE1-OH 3.17Å; Y104-S108 WeakPolarHBondContact CA-OG 3.47Å; Y104-C135 HydrophobicContact CD1-CB 4.06Å; Y104-C135 HydrophobicContact CE1-CB 3.6Å; Y104-K137 WeakPolarHBondContact O-CE 3.5Å; Y104-K137 PolarHBondContact O-NZ 2.83Å
105	G	97	Very high	96.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	153.2	-177.8	176.6	0	0	0	0	0	112.5	C84 T85 N107 S108	C84-G105 PolarHBondContact O-N 3.34Å; C84-G105 VanDerWaalsContact O-N 3.17Å; T85-G105 WeakPolarHBondContact CA-O 3.44Å; G105-N107 PolarHBondContact O-N 3.47Å; G105-S108 PolarHBondContact N-OG 3.14Å; G105-S108 VanDerWaalsContact N-OG 3.09Å; G105-S108 VanDerWaalsContact O-CB 3.31Å; G105-S108 WeakPolarHBondContact O-CB 3.41Å; G105-S108 PolarHBondContact O-N 3.36Å
106	P	96.4	Very high	96.7	Very high	114 Å²	114	35.9 Å²	35.9	74%	0.74	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.8	-174.1	-27.4	35.3	0	0	0	114.5
107	N	96.3	Very high	96.8	Very high	104 Å²	104	33.9 Å²	33.9	56%	0.556	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	28.9	177.7	-59	-24.3	0	0	0	112.1	G105 K137 H138	G105-N107 PolarHBondContact O-N 3.47Å; N107-K137 CarbonylContact O-C 3.54Å; N107-K137 WeakPolarHBondContact O-CA 3.47Å; N107-H138 PolarHBondContact O-CE1 2.86Å; N107-H138 PolarHBondContact O-N 2.84Å; N107-H138 PolarHBondContact O-ND1 3.16Å
108	S	98.3	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.2	175	-71.3	0	0	0	0	111.8	C84 T85 T103 Y104 G105 H136 K137	C84-S108 WeakPolarHBondContact O-CB 3.19Å; T85-S108 VanDerWaalsContact CG2-O 3.25Å; T85-S108 WeakPolarHBondContact CG2-O 3.12Å; T103-S108 WeakPolarHBondContact O-CB 3.11Å; T103-S108 PolarHBondContact O-OG 3.27Å; Y104-S108 WeakPolarHBondContact CA-OG 3.47Å; G105-S108 PolarHBondContact N-OG 3.14Å; G105-S108 VanDerWaalsContact N-OG 3.09Å; G105-S108 VanDerWaalsContact O-CB 3.31Å; G105-S108 WeakPolarHBondContact O-CB 3.41Å; G105-S108 PolarHBondContact O-N 3.36Å; S108-H136 WeakPolarHBondContact CA-O 3.46Å; S108-K137 WeakPolarHBondContact OG-CA 3.43Å; S108-K137 WeakPolarHBondContact OG-CG 3.34Å; S108-K137 PolarHBondContact OG-N 3.26Å
109	M	97.8	Very high	97	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.3	-176.4	60.8	172.5	-74.9	0	0	110.5	A19 C84 V111 C135 H136 H138 L148 P182 F187	A19-M109 CarbonylContact O-C 3.57Å; A19-M109 VanDerWaalsContact O-CA 3.3Å; A19-M109 WeakPolarHBondContact O-CA 3.38Å; A19-M109 VanDerWaalsContact O-CB 3.32Å; A19-M109 WeakPolarHBondContact O-CB 3.42Å; C84-M109 VanDerWaalsContact SG-C 3.54Å; M109-V111 HydrophobicContact CG-CG2 4.38Å; M109-C135 WeakPolarHBondContact O-CA 2.91Å; M109-H136 PolarHBondContact N-O 2.91Å; M109-H136 PolarHBondContact O-N 2.98Å; M109-H138 HydrophobicContact CG-CB 4.49Å; M109-H138 HydrophobicContact SD-CB 4.18Å; M109-L148 HydrophobicContact CG-CD2 4.31Å; M109-L148 HydrophobicContact SD-CD2 4.08Å; M109-P182 HydrophobicContact CE-CB 3.22Å; M109-P182 HydrophobicContact CE-CG 3.47Å; M109-P182 VanDerWaalsContact CE-CG 3.47Å; M109-P182 HydrophobicContact SD-CB 4.31Å; M109-P182 HydrophobicContact SD-CG 4Å; M109-F187 HydrophobicContact CB-CD1 4.27Å; M109-F187 HydrophobicContact CB-CE1 3.71Å; M109-F187 HydrophobicContact CB-CZ 4.18Å; M109-F187 HydrophobicContact CE-CD2 4.01Å; M109-F187 HydrophobicContact CE-CE1 4.01Å; M109-F187 HydrophobicContact CE-CE2 3.43Å; M109-F187 VanDerWaalsContact CE-CE2 3.43Å; M109-F187 HydrophobicContact CE-CZ 3.42Å; M109-F187 VanDerWaalsContact CE-CZ 3.42Å; M109-F187 HydrophobicContact CG-CE1 4.44Å; M109-F187 HydrophobicContact SD-CD1 3.95Å; M109-F187 HydrophobicContact SD-CD2 3.92Å; M109-F187 HydrophobicContact SD-CE1 3.9Å; M109-F187 HydrophobicContact SD-CE2 3.92Å; M109-F187 HydrophobicContact SD-CG 3.95Å; M109-F187 HydrophobicContact SD-CZ 3.9Å
110	C	98	Very high	97.1	Very high	7 Å²	7	31.7 Å²	31.7	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.5	170	-171.3	0	0	0	0	110.1	C16 A19 S134	C16-C110 WeakPolarHBondContact CA-SG 3.22Å; C16-C110 HydrophobicContact CB-CB 3.79Å; C16-C110 WeakPolarHBondContact CB-SG 3.01Å; C16-C110 VanDerWaalsContact SG-C 3.56Å; C16-C110 WeakPolarHBondContact SG-CB 3.47Å; C16-C110 CovalentContact SG-SG 2.04Å; C16-C110 PolarHBondContact SG-SG 2.66Å; A19-C110 PolarHBondContact O-N 3.43Å; C110-S134 WeakPolarHBondContact CA-O 3.44Å
111	V	98	Very high	97	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.8	176.9	-178.4	0	0	0	0	109	M109 H113 G133 S134 H136 L148 I179	M109-V111 HydrophobicContact CG-CG2 4.38Å; V111-H113 PolarHBondContact O-CD2 3.02Å; V111-G133 WeakPolarHBondContact O-CA 3.43Å; V111-S134 PolarHBondContact N-O 2.98Å; V111-S134 PolarHBondContact O-N 3.31Å; V111-H136 HydrophobicContact CG2-CB 3.83Å; V111-L148 HydrophobicContact CG1-CD1 3.89Å; V111-L148 HydrophobicContact CG2-CD1 3.83Å; V111-L148 HydrophobicContact CG2-CD2 3.69Å; V111-L148 HydrophobicContact CG2-CG 4.33Å; V111-I179 HydrophobicContact CG1-CB 3.84Å; V111-I179 HydrophobicContact CG1-CD1 4.19Å; V111-I179 HydrophobicContact CG1-CG2 3.51Å
112	T	97.4	Very high	97	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.362	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.9	178.4	-55.8	0	0	0	0	110.9	Q132 I179 V180	T112-Q132 CarbonylContact C-O 3.55Å; T112-Q132 WeakPolarHBondContact CA-O 3.43Å; T112-I179 CarbonylContact O-C 3.5Å; T112-I179 WeakPolarHBondContact O-CA 3.03Å; T112-V180 HydrophobicContact CG2-CB 4.38Å; T112-V180 HydrophobicContact CG2-CG2 4.34Å; T112-V180 PolarHBondContact O-N 2.87Å
113	H	97.1	Very high	96.9	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	161.5	175.8	-52.9	-174.2	0	0	0	110.5	Y100 V111 W117 V131 Q132 S134	Y100-H113 AromaticContact CD1-CE1 3.66Å; V111-H113 PolarHBondContact O-CD2 3.02Å; H113-W117 HydrophobicContact CB-CZ2 3.74Å; H113-W117 AromaticContact CD2-CH2 3.35Å; H113-W117 WeakPolarHBondContact CD2-CH2 3.38Å; H113-W117 AromaticContact CD2-CZ2 3.3Å; H113-W117 WeakPolarHBondContact CD2-CZ2 3.24Å; H113-W117 AromaticContact CE1-CE3 3.78Å; H113-W117 AromaticContact CE1-CH2 3.43Å; H113-W117 VanDerWaalsContact CE1-CH2 3.43Å; H113-W117 WeakPolarHBondContact CE1-CH2 3.45Å; H113-W117 AromaticContact CE1-CZ2 3.75Å; H113-W117 AromaticContact CE1-CZ3 3.44Å; H113-W117 VanDerWaalsContact CE1-CZ3 3.44Å; H113-W117 WeakPolarHBondContact CE1-CZ3 3.16Å; H113-W117 AromaticContact CG-CE2 3.59Å; H113-W117 AromaticContact CG-CH2 3.71Å; H113-W117 AromaticContact CG-CZ2 3.27Å; H113-W117 AromaticContact ND1-CD2 3.81Å; H113-W117 AromaticContact ND1-CE2 3.59Å; H113-W117 AromaticContact ND1-CE3 3.98Å; H113-W117 AromaticContact ND1-CH2 3.78Å; H113-W117 AromaticContact ND1-CZ2 3.59Å; H113-W117 AromaticContact ND1-CZ3 3.97Å; H113-W117 AromaticContact NE2-CH2 3.16Å; H113-W117 WeakPolarHBondContact NE2-CH2 3.39Å; H113-W117 AromaticContact NE2-CZ2 3.6Å; H113-W117 AromaticContact NE2-CZ3 3.6Å; H113-V131 PolarHBondContact ND1-O 3.41Å; H113-Q132 PolarHBondContact N-O 2.74Å; H113-S134 PolarHBondContact CE1-OG 3.15Å; H113-S134 WeakPolarHBondContact NE2-CB 3.25Å; H113-S134 PolarHBondContact NE2-OG 3.46Å
114	R	95.3	Very high	96.9	Very high	128 Å²	128	54.4 Å²	54.4	48%	0.483	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.1	167.6	-176.4	164.1	173.6	-121.4	7	109.4	E178 V180	R114-E178 HydrophobicContact CB-CB 4.27Å; R114-E178 HydrophobicContact CB-CG 4.28Å; R114-E178 WeakPolarHBondContact CD-OE1 3.18Å; R114-E178 WeakPolarHBondContact CG-OE1 3.28Å; R114-E178 IonicContact CZ-OE1 3.32Å; R114-E178 PolarHBondContact N-O 2.85Å; R114-E178 IonicContact NE-OE1 3.39Å; R114-E178 PolarHBondContact NE-OE1 3.13Å; R114-E178 IonicContact NH1-OE1 2.67Å; R114-E178 PolarHBondContact NH1-OE1 2.84Å; R114-E178 IonicContact NH1-OE2 3.64Å; R114-V180 HydrophobicContact CB-CG2 4.19Å
115	G	93.4	Very high	96.8	Very high	47 Å²	47	58.3 Å²	58.3	49%	0.485	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.8	-169.1	-178.7	0	0	0	0	0	113.8
116	D	94.8	Very high	96.7	Very high	63 Å²	63	62.1 Å²	62.1	34%	0.337	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.9	175.9	-173.8	22.1	0	0	0	111.3	S126 L127 G128 E129	D116-S126 PolarHBondContact OD1-OG 2.88Å; D116-S126 WeakPolarHBondContact OD2-CB 3.44Å; D116-S126 PolarHBondContact OD2-OG 3.47Å; D116-L127 PolarHBondContact OD1-N 3.22Å; D116-G128 VanDerWaalsContact OD1-CA 3.27Å; D116-G128 WeakPolarHBondContact OD1-CA 3.46Å; D116-G128 PolarHBondContact OD1-N 2.78Å; D116-E129 HydrophobicContact CB-CG 4.22Å
117	W	97.2	Very high	96.7	Very high	2 Å²	2	58 Å²	58	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.2	177.3	-73.4	17.6	0	0	0	110.1	Y100 H113 L127 F150 F166 L175 N176 G177 E178 I179	Y100-W117 AromaticContact CD1-CE3 3.81Å; Y100-W117 HydrophobicContact CD1-CE3 3.81Å; Y100-W117 HydrophobicContact CD1-CZ3 4.1Å; Y100-W117 HydrophobicContact CE1-CE3 4.45Å; H113-W117 HydrophobicContact CB-CZ2 3.74Å; H113-W117 AromaticContact CD2-CH2 3.35Å; H113-W117 WeakPolarHBondContact CD2-CH2 3.38Å; H113-W117 AromaticContact CD2-CZ2 3.3Å; H113-W117 WeakPolarHBondContact CD2-CZ2 3.24Å; H113-W117 AromaticContact CE1-CE3 3.78Å; H113-W117 AromaticContact CE1-CH2 3.43Å; H113-W117 VanDerWaalsContact CE1-CH2 3.43Å; H113-W117 WeakPolarHBondContact CE1-CH2 3.45Å; H113-W117 AromaticContact CE1-CZ2 3.75Å; H113-W117 AromaticContact CE1-CZ3 3.44Å; H113-W117 VanDerWaalsContact CE1-CZ3 3.44Å; H113-W117 WeakPolarHBondContact CE1-CZ3 3.16Å; H113-W117 AromaticContact CG-CE2 3.59Å; H113-W117 AromaticContact CG-CH2 3.71Å; H113-W117 AromaticContact CG-CZ2 3.27Å; H113-W117 AromaticContact ND1-CD2 3.81Å; H113-W117 AromaticContact ND1-CE2 3.59Å; H113-W117 AromaticContact ND1-CE3 3.98Å; H113-W117 AromaticContact ND1-CH2 3.78Å; H113-W117 AromaticContact ND1-CZ2 3.59Å; H113-W117 AromaticContact ND1-CZ3 3.97Å; H113-W117 AromaticContact NE2-CH2 3.16Å; H113-W117 WeakPolarHBondContact NE2-CH2 3.39Å; H113-W117 AromaticContact NE2-CZ2 3.6Å; H113-W117 AromaticContact NE2-CZ3 3.6Å; W117-L127 HydrophobicContact CB-CB 4.31Å; W117-L127 HydrophobicContact CB-CD1 4.03Å; W117-L127 HydrophobicContact CB-CG 4.47Å; W117-L127 WeakPolarHBondContact O-CB 3.42Å; W117-L127 PolarHBondContact O-N 2.94Å; W117-F150 AromaticContact CH2-CE1 3.68Å; W117-F150 HydrophobicContact CH2-CE1 3.68Å; W117-F150 HydrophobicContact CH2-CZ 4.21Å; W117-F150 AromaticContact CZ3-CE1 3.89Å; W117-F150 HydrophobicContact CZ3-CE1 3.89Å; W117-F166 HydrophobicContact CD2-CZ 4.06Å; W117-F166 AromaticContact CE2-CE1 3.98Å; W117-F166 AromaticContact CE2-CZ 3.91Å; W117-F166 AromaticContact CE3-CZ 3.99Å; W117-F166 HydrophobicContact CE3-CZ 3.99Å; W117-F166 HydrophobicContact CH2-CE1 4.01Å; W117-F166 AromaticContact CH2-CZ 3.68Å; W117-F166 HydrophobicContact CH2-CZ 3.68Å; W117-F166 AromaticContact CZ2-CE1 3.68Å; W117-F166 HydrophobicContact CZ2-CE1 3.68Å; W117-F166 AromaticContact CZ2-CZ 3.74Å; W117-F166 HydrophobicContact CZ2-CZ 3.74Å; W117-F166 AromaticContact CZ3-CZ 3.81Å; W117-F166 HydrophobicContact CZ3-CZ 3.81Å; W117-L175 HydrophobicContact CE3-CD1 4.13Å; W117-L175 HydrophobicContact CE3-CD2 4.08Å; W117-L175 HydrophobicContact CE3-CG 4.36Å; W117-L175 HydrophobicContact CZ3-CD2 4.08Å; W117-N176 CarbonylContact C-O 3.6Å; W117-N176 WeakPolarHBondContact CA-O 3.11Å; W117-G177 VanDerWaalsContact CD1-CA 3.45Å; W117-E178 PolarHBondContact NE1-O 2.72Å; W117-I179 HydrophobicContact CH2-CG2 3.85Å; W117-I179 HydrophobicContact CZ2-CG2 3.49Å; W117-I179 VanDerWaalsContact CZ2-CG2 3.49Å
118	T	98.2	Very high	96.4	Very high	40 Å²	40	54.2 Å²	54.2	25%	0.245	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.5	178.3	-55.1	0	0	0	0	110.4	V124 Y125 L175 N176	T118-V124 HydrophobicContact CG2-CG1 3.4Å; T118-V124 VanDerWaalsContact CG2-CG1 3.4Å; T118-Y125 CarbonylContact C-O 3.53Å; T118-Y125 WeakPolarHBondContact CA-O 3.44Å; T118-L175 WeakPolarHBondContact O-CA 3.29Å; T118-N176 PolarHBondContact N-O 2.81Å; T118-N176 PolarHBondContact O-N 2.74Å
119	Y	97.6	Very high	96	Very high	12 Å²	12	60.3 Å²	60.3	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.9	170.4	174.6	-101.4	0	0	0	109.1	T97 R99 Y101 D121 Y125 T173 R174	T97-Y119 HydrophobicContact CG2-CE1 4.3Å; R99-Y119 HydrophobicContact CB-CD1 4.34Å; R99-Y119 HydrophobicContact CB-CD2 4.42Å; R99-Y119 HydrophobicContact CB-CG 4.11Å; R99-Y119 HydrophobicContact CG-CD1 3.95Å; R99-Y119 HydrophobicContact CG-CE1 4.18Å; R99-Y119 HydrophobicContact CG-CG 4.24Å; R99-Y119 WeakPolarHBondContact O-CD2 3.33Å; Y101-Y119 HydrophobicContact CE1-CD2 4.18Å; Y101-Y119 AromaticContact CE1-CE2 3.75Å; Y101-Y119 HydrophobicContact CE1-CE2 3.75Å; Y119-D121 HydrophobicContact CE1-CB 4.14Å; Y119-D121 WeakPolarHBondContact CE1-OD2 3.49Å; Y119-Y125 AromaticContact CD1-CD2 3.94Å; Y119-Y125 HydrophobicContact CD1-CD2 3.94Å; Y119-Y125 HydrophobicContact CE1-CD2 4.5Å; Y119-Y125 PolarHBondContact N-O 3.21Å; Y119-Y125 WeakPolarHBondContact O-CA 3.29Å; Y119-Y125 WeakPolarHBondContact O-CB 3.2Å; Y119-Y125 PolarHBondContact O-N 3.02Å; Y119-T173 HydrophobicContact CE2-CG2 4.43Å; Y119-T173 VanDerWaalsContact OH-CG2 3.28Å; Y119-T173 WeakPolarHBondContact OH-CG2 3.49Å; Y119-R174 CarbonylContact C-O 3.59Å; Y119-R174 WeakPolarHBondContact CA-O 3.35Å
120	T	98.1	Very high	95.7	Very high	33 Å²	33	64.6 Å²	64.6	20%	0.202	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.3	179.6	-54	0	0	0	0	110	H123 V124 T173 R174	T120-H123 CarbonylContact C-O 3.53Å; T120-H123 WeakPolarHBondContact CA-O 3.43Å; T120-V124 HydrophobicContact CG2-CG2 3.92Å; T120-T173 CarbonylContact O-C 3.38Å; T120-T173 VanDerWaalsContact O-CA 3.24Å; T120-T173 WeakPolarHBondContact O-CA 3.27Å; T120-R174 PolarHBondContact N-O 3.47Å; T120-R174 PolarHBondContact O-N 3.08Å
121	D	95.3	Very high	95.6	Very high	55 Å²	55	65 Å²	65	29%	0.294	34%	0.337	S	S	.	.	S	Bend	trans	-123	-120.2	164.2	59.5	30.6	0	0	0	109.5	Y119 H123 Y125 T173	Y119-D121 HydrophobicContact CE1-CB 4.14Å; Y119-D121 WeakPolarHBondContact CE1-OD2 3.49Å; D121-H123 PolarHBondContact N-O 2.63Å; D121-H123 PolarHBondContact O-N 3.24Å; D121-H123 PolarHBondContact OD1-N 2.83Å; D121-Y125 WeakPolarHBondContact OD1-CE2 3.34Å; D121-T173 HydrophobicContact CB-CG2 4Å
122	R	95.9	Very high	95.4	Very high	237 Å²	237	67.7 Å²	67.7	89%	0.894	35%	0.35	S	S	*	.	S	Bend	trans	-65.1	-24.2	163.2	-61.8	-176	-176.7	179.6	1.4	112.4
123	H	96.4	Very high	95.4	Very high	119 Å²	119	64.9 Å²	64.9	55%	0.551	33%	0.332	S	S	*	.	S	Bend	trans	-126.7	163	175.3	-49.6	108.8	0	0	0	111	T120 D121 Y125	T120-H123 CarbonylContact C-O 3.53Å; T120-H123 WeakPolarHBondContact CA-O 3.43Å; D121-H123 PolarHBondContact N-O 2.63Å; D121-H123 PolarHBondContact O-N 3.24Å; D121-H123 PolarHBondContact OD1-N 2.83Å; H123-Y125 HydrophobicContact CB-CE2 3.81Å; H123-Y125 PolarHBondContact ND1-OH 2.71Å
124	V	97.4	Very high	95.4	Very high	106 Å²	106	64.4 Å²	64.4	64%	0.642	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.1	174.9	-176.8	0	0	0	0	108.7	T118 T120	T118-V124 HydrophobicContact CG2-CG1 3.4Å; T118-V124 VanDerWaalsContact CG2-CG1 3.4Å; T120-V124 HydrophobicContact CG2-CG2 3.92Å
125	Y	96.3	Very high	95.6	Very high	86 Å²	86	58.3 Å²	58.3	34%	0.337	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.6	179	-59.3	-86.7	0	0	0	110	T118 Y119 D121 H123	T118-Y125 CarbonylContact C-O 3.53Å; T118-Y125 WeakPolarHBondContact CA-O 3.44Å; Y119-Y125 AromaticContact CD1-CD2 3.94Å; Y119-Y125 HydrophobicContact CD1-CD2 3.94Å; Y119-Y125 HydrophobicContact CE1-CD2 4.5Å; Y119-Y125 PolarHBondContact N-O 3.21Å; Y119-Y125 WeakPolarHBondContact O-CA 3.29Å; Y119-Y125 WeakPolarHBondContact O-CB 3.2Å; Y119-Y125 PolarHBondContact O-N 3.02Å; D121-Y125 WeakPolarHBondContact OD1-CE2 3.34Å; H123-Y125 HydrophobicContact CB-CE2 3.81Å; H123-Y125 PolarHBondContact ND1-OH 2.71Å
126	S	96.6	Very high	95.8	Very high	82 Å²	82	56.1 Å²	56.1	57%	0.573	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	129.8	159.5	158.4	0	0	0	0	108.3	D116	D116-S126 PolarHBondContact OD1-OG 2.88Å; D116-S126 WeakPolarHBondContact OD2-CB 3.44Å; D116-S126 PolarHBondContact OD2-OG 3.47Å
127	L	94.5	Very high	96	Very high	27 Å²	27	57.2 Å²	57.2	14%	0.141	29%	0.286	C	S	.	.			trans	-89.3	-10.6	-176.4	-63.7	-172.3	0	0	0	112.8	R99 Y100 D116 W117 L175	R99-L127 HydrophobicContact CB-CD1 4.37Å; R99-L127 HydrophobicContact CB-CD2 4Å; Y100-L127 HydrophobicContact CD1-CD1 3.77Å; Y100-L127 HydrophobicContact CE1-CB 3.96Å; Y100-L127 HydrophobicContact CE1-CD1 3.52Å; Y100-L127 HydrophobicContact CE1-CG 4.35Å; Y100-L127 HydrophobicContact CE2-CD1 4.4Å; Y100-L127 HydrophobicContact CG-CD1 4.32Å; Y100-L127 PolarHBondContact OH-O 2.85Å; D116-L127 PolarHBondContact OD1-N 3.22Å; W117-L127 HydrophobicContact CB-CB 4.31Å; W117-L127 HydrophobicContact CB-CD1 4.03Å; W117-L127 HydrophobicContact CB-CG 4.47Å; W117-L127 WeakPolarHBondContact O-CB 3.42Å; W117-L127 PolarHBondContact O-N 2.94Å; L127-L175 HydrophobicContact CD1-CD1 3.95Å
128	G	90.6	Very high	96	Very high	25 Å²	25	58.2 Å²	58.2	26%	0.258	29%	0.291	S	S	.	.			trans	76.7	158.7	178.9	0	0	0	0	0	113.3	D116 N130	D116-G128 VanDerWaalsContact OD1-CA 3.27Å; D116-G128 WeakPolarHBondContact OD1-CA 3.46Å; D116-G128 PolarHBondContact OD1-N 2.78Å; G128-N130 PolarHBondContact O-N 2.81Å
129	E	90.3	Very high	95.9	Very high	128 Å²	128	61.4 Å²	61.4	60%	0.598	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	3.2	-178.1	-57.1	-173.7	159.1	0	0	114.2	D116 V131 Q132	D116-E129 HydrophobicContact CB-CG 4.22Å; E129-V131 VanDerWaalsContact C-N 3.35Å; E129-Q132 WeakPolarHBondContact O-CG 3.48Å; E129-Q132 PolarHBondContact O-NE2 3.3Å
130	N	92.2	Very high	95.9	Very high	90 Å²	90	63.2 Å²	63.2	48%	0.481	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-22	-178.5	-75.7	-31.2	0	0	0	112.2	R12 R13 A14 G128	R12-N130 WeakPolarHBondContact O-CB 3.19Å; R13-N130 CarbonylContact C-O 3.58Å; R13-N130 WeakPolarHBondContact CA-O 3.41Å; A14-N130 PolarHBondContact N-O 3.38Å; G128-N130 PolarHBondContact O-N 2.81Å
131	V	94.2	Very high	95.8	Very high	15 Å²	15	64.6 Å²	64.6	9%	0.091	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-99.6	115.2	171.3	-177.6	0	0	0	0	108.5	A14 L74 Y100 H113 E129	A14-V131 HydrophobicContact CB-CG1 4.5Å; A14-V131 HydrophobicContact CB-CG2 4.4Å; L74-V131 HydrophobicContact CD1-CG1 3.98Å; L74-V131 HydrophobicContact CD2-CG2 3.99Å; Y100-V131 HydrophobicContact CD1-CG1 4.18Å; Y100-V131 HydrophobicContact CE1-CB 3.73Å; Y100-V131 HydrophobicContact CE1-CG1 3.69Å; Y100-V131 HydrophobicContact CE1-CG2 4.25Å; Y100-V131 HydrophobicContact CE2-CB 4.46Å; Y100-V131 HydrophobicContact CE2-CG1 4.37Å; Y100-V131 HydrophobicContact CE2-CG2 4.13Å; Y100-V131 WeakPolarHBondContact OH-CB 3.41Å; Y100-V131 WeakPolarHBondContact OH-CG2 3.35Å; H113-V131 PolarHBondContact ND1-O 3.41Å; E129-V131 VanDerWaalsContact C-N 3.35Å
132	Q	95.3	Very high	95.6	Very high	58 Å²	58	74.5 Å²	74.5	27%	0.271	35%	0.353	S	S	.	.			trans	-121.4	2.3	-179.2	-60.2	-168.8	-8	0	0	112.5	R13 A14 T112 H113 E129	R13-Q132 HydrophobicContact CG-CG 4.18Å; A14-Q132 CarbonylContact O-C 3.46Å; A14-Q132 WeakPolarHBondContact O-CA 2.97Å; A14-Q132 WeakPolarHBondContact O-CB 3.48Å; A14-Q132 PolarHBondContact O-N 3.18Å; T112-Q132 CarbonylContact C-O 3.55Å; T112-Q132 WeakPolarHBondContact CA-O 3.43Å; H113-Q132 PolarHBondContact N-O 2.74Å; E129-Q132 WeakPolarHBondContact O-CG 3.48Å; E129-Q132 PolarHBondContact O-NE2 3.3Å
133	G	96.5	Very high	95.4	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	132.4	177.6	0	0	0	0	0	110.9	A14 V111	A14-G133 PolarHBondContact O-N 2.89Å; V111-G133 WeakPolarHBondContact O-CA 3.43Å
134	S	97.5	Very high	95.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.1	173.9	64.2	0	0	0	0	111.4	C110 V111 H113 H136	C110-S134 WeakPolarHBondContact CA-O 3.44Å; V111-S134 PolarHBondContact N-O 2.98Å; V111-S134 PolarHBondContact O-N 3.31Å; H113-S134 PolarHBondContact CE1-OG 3.15Å; H113-S134 WeakPolarHBondContact NE2-CB 3.25Å; H113-S134 PolarHBondContact NE2-OG 3.46Å; S134-H136 PolarHBondContact OG-CD2 2.82Å; S134-H136 PolarHBondContact OG-NE2 2.97Å
135	C	98.5	Very high	95	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129	-174.8	-68.2	0	0	0	0	113.2	Y22 C84 Q102 T103 Y104 M109	Y22-C135 VanDerWaalsContact CE1-SG 3.57Å; C84-C135 WeakPolarHBondContact CA-SG 3.08Å; C84-C135 HydrophobicContact CB-CB 3.58Å; C84-C135 WeakPolarHBondContact CB-SG 3.49Å; C84-C135 PolarHBondContact N-SG 3.41Å; C84-C135 VanDerWaalsContact N-SG 3.44Å; C84-C135 WeakPolarHBondContact SG-CA 3.13Å; C84-C135 WeakPolarHBondContact SG-CB 3.43Å; C84-C135 CovalentContact SG-SG 2.04Å; C84-C135 PolarHBondContact SG-SG 3.44Å; Q102-C135 CarbonylContact C-O 3.55Å; Q102-C135 WeakPolarHBondContact CA-O 3.49Å; Q102-C135 WeakPolarHBondContact CB-O 3.5Å; T103-C135 PolarHBondContact N-O 3.36Å; Y104-C135 HydrophobicContact CD1-CB 4.06Å; Y104-C135 HydrophobicContact CE1-CB 3.6Å; M109-C135 WeakPolarHBondContact O-CA 2.91Å
136	H	98.6	Very high	95.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.1	174.7	-61.6	-84.3	0	0	0	111.6	Y100 Y101 T103 S108 M109 V111 S134 L148 Y149 F150	Y100-H136 PolarHBondContact O-CE1 3.27Å; Y100-H136 VanDerWaalsContact O-CE1 3.27Å; Y101-H136 PolarHBondContact O-CE1 2.88Å; Y101-H136 PolarHBondContact O-ND1 3.1Å; T103-H136 CarbonylContact O-C 3.59Å; T103-H136 WeakPolarHBondContact O-CA 3.11Å; T103-H136 WeakPolarHBondContact OG1-CA 3.41Å; S108-H136 WeakPolarHBondContact CA-O 3.46Å; M109-H136 PolarHBondContact N-O 2.91Å; M109-H136 PolarHBondContact O-N 2.98Å; V111-H136 HydrophobicContact CG2-CB 3.83Å; S134-H136 PolarHBondContact OG-CD2 2.82Å; S134-H136 PolarHBondContact OG-NE2 2.97Å; H136-L148 HydrophobicContact CB-CD2 4.39Å; H136-Y149 PolarHBondContact ND1-O 3.48Å; H136-F150 AromaticContact CE1-CD1 3.24Å; H136-F150 WeakPolarHBondContact CE1-CD1 3.29Å; H136-F150 AromaticContact CE1-CE1 3.12Å; H136-F150 WeakPolarHBondContact CE1-CE1 3.34Å; H136-F150 AromaticContact CE1-CG 3.95Å; H136-F150 AromaticContact CE1-CZ 3.73Å; H136-F150 AromaticContact ND1-CD1 3.62Å; H136-F150 AromaticContact ND1-CE1 3.64Å; H136-F150 AromaticContact ND1-CG 3.85Å; H136-F150 AromaticContact ND1-CZ 3.88Å; H136-F150 AromaticContact NE2-CE1 3.49Å; H136-F150 WeakPolarHBondContact NE2-CE1 3.39Å; H136-F150 AromaticContact NE2-CZ 3.9Å
137	K	98.2	Very high	95.1	Very high	87 Å²	87	52.9 Å²	52.9	38%	0.378	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.6	166.1	-72.4	179.4	-175.8	176.5	0	108.8	T103 Y104 N107 S108 L148 Y149	T103-K137 PolarHBondContact O-N 2.91Å; T103-K137 PolarHBondContact OG1-N 3.14Å; Y104-K137 WeakPolarHBondContact O-CE 3.5Å; Y104-K137 PolarHBondContact O-NZ 2.83Å; N107-K137 CarbonylContact O-C 3.54Å; N107-K137 WeakPolarHBondContact O-CA 3.47Å; S108-K137 WeakPolarHBondContact OG-CA 3.43Å; S108-K137 WeakPolarHBondContact OG-CG 3.34Å; S108-K137 PolarHBondContact OG-N 3.26Å; K137-L148 CarbonylContact O-C 3.59Å; K137-L148 WeakPolarHBondContact O-CA 3.2Å; K137-Y149 HydrophobicContact CB-CD2 3.99Å; K137-Y149 HydrophobicContact CB-CG 4.38Å; K137-Y149 PolarHBondContact O-N 2.79Å
138	H	97.8	Very high	95.3	Very high	23 Å²	23	51.6 Å²	51.6	11%	0.106	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.2	170.1	73.8	-82.2	0	0	0	111.1	N107 M109 L146 S147 L148	N107-H138 PolarHBondContact O-CE1 2.86Å; N107-H138 PolarHBondContact O-N 2.84Å; N107-H138 PolarHBondContact O-ND1 3.16Å; M109-H138 HydrophobicContact CG-CB 4.49Å; M109-H138 HydrophobicContact SD-CB 4.18Å; H138-L146 HydrophobicContact CB-CD1 3.92Å; H138-L146 HydrophobicContact CB-CD2 4Å; H138-L146 HydrophobicContact CB-CG 3.99Å; H138-S147 CarbonylContact C-O 3.47Å; H138-S147 WeakPolarHBondContact CA-O 3.03Å; H138-L148 HydrophobicContact CB-CD2 3.95Å
139	K	97.2	Very high	95.7	Very high	106 Å²	106	53.7 Å²	53.7	46%	0.461	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.3	167.5	174.1	177.6	178.8	-177.3	0	109	L146 S147 Y149	K139-L146 WeakPolarHBondContact O-CA 3.47Å; K139-S147 PolarHBondContact N-O 2.89Å; K139-S147 PolarHBondContact O-N 3.41Å; K139-Y149 HydrophobicContact CB-CE2 3.73Å; K139-Y149 WeakPolarHBondContact CD-OH 3.28Å
140	C	96.4	Very high	96.1	Very high	51 Å²	51	47.6 Å²	47.6	35%	0.345	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.3	173.9	-60.8	0	0	0	0	110.4	C188	C140-C188 VanDerWaalsContact CA-SG 3.59Å; C140-C188 HydrophobicContact CB-CB 3.69Å; C140-C188 WeakPolarHBondContact CB-SG 3.08Å; C140-C188 WeakPolarHBondContact SG-CA 3.15Å; C140-C188 WeakPolarHBondContact SG-CB 3.19Å; C140-C188 CovalentContact SG-SG 2.03Å; C140-C188 PolarHBondContact SG-SG 3.09Å
141	H	95.4	Very high	96.2	Very high	62 Å²	62	45.8 Å²	45.8	29%	0.287	22%	0.216	S	C	.	.			trans	-109.5	158.9	177.8	-60	-68.1	0	0	0	111.2	D143 G144 T145 S147	H141-D143 WeakPolarHBondContact CB-OD1 3.5Å; H141-D143 PolarHBondContact O-N 3.46Å; H141-G144 PolarHBondContact O-N 3.11Å; H141-T145 PolarHBondContact CD2-OG1 3.27Å; H141-T145 VanDerWaalsContact CD2-OG1 3.3Å; H141-T145 PolarHBondContact N-O 2.81Å; H141-S147 WeakPolarHBondContact NE2-CB 3.28Å; H141-S147 PolarHBondContact NE2-OG 3.19Å
142	R	91.9	Very high	96.2	Very high	262 Å²	262	52 Å²	52	99%	0.989	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.3	-177.5	-66.7	-176.5	-178.4	177.8	0.5	113.1	G144	R142-G144 PolarHBondContact O-N 2.78Å
143	D	92.1	Very high	96.2	Very high	119 Å²	119	50.4 Å²	50.4	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	4.1	177.1	65.3	-5.3	0	0	0	113.4	H141 T145	H141-D143 WeakPolarHBondContact CB-OD1 3.5Å; H141-D143 PolarHBondContact O-N 3.46Å; D143-T145 VanDerWaalsContact C-N 3.34Å; D143-T145 WeakPolarHBondContact OD1-CB 2.93Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.39Å; D143-T145 PolarHBondContact OD1-N 3.24Å; D143-T145 PolarHBondContact OD1-OG1 2.03Å; D143-T145 PolarHBondContact OD2-OG1 3.43Å
144	G	91.2	Very high	96.3	Very high	26 Å²	26	53.6 Å²	53.6	27%	0.268	26%	0.263	S	S	.	.	S	Bend	trans	81.4	10.9	-178.4	0	0	0	0	0	114.1	H141 R142 I184	H141-G144 PolarHBondContact O-N 3.11Å; R142-G144 PolarHBondContact O-N 2.78Å; G144-I184 WeakPolarHBondContact O-CG2 3.47Å
145	T	94.6	Very high	96.3	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.16	27%	0.265	C	S	.	.			trans	-94.2	164.6	173.7	70.4	0	0	0	0	112.2	H141 D143 T158	H141-T145 PolarHBondContact CD2-OG1 3.27Å; H141-T145 VanDerWaalsContact CD2-OG1 3.3Å; H141-T145 PolarHBondContact N-O 2.81Å; D143-T145 VanDerWaalsContact C-N 3.34Å; D143-T145 WeakPolarHBondContact OD1-CB 2.93Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.39Å; D143-T145 PolarHBondContact OD1-N 3.24Å; D143-T145 PolarHBondContact OD1-OG1 2.03Å; D143-T145 PolarHBondContact OD2-OG1 3.43Å; T145-T158 HydrophobicContact CG2-CG2 3.99Å
146	L	96.8	Very high	96.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.2	178.1	178.4	150.6	0	0	0	109.6	H138 K139 L148 C157 P182 I184 F187	H138-L146 HydrophobicContact CB-CD1 3.92Å; H138-L146 HydrophobicContact CB-CD2 4Å; H138-L146 HydrophobicContact CB-CG 3.99Å; K139-L146 WeakPolarHBondContact O-CA 3.47Å; L146-L148 HydrophobicContact CD2-CD1 4.34Å; L146-L148 HydrophobicContact CD2-CD2 3.6Å; L146-L148 HydrophobicContact CD2-CG 3.56Å; L146-C157 HydrophobicContact CD2-CB 4.38Å; L146-C157 PolarHBondContact N-O 2.86Å; L146-C157 PolarHBondContact O-N 3.4Å; L146-P182 HydrophobicContact CD2-CG 4.28Å; L146-I184 HydrophobicContact CB-CD1 4.44Å; L146-I184 HydrophobicContact CB-CG1 4.07Å; L146-I184 HydrophobicContact CB-CG2 4.13Å; L146-F187 HydrophobicContact CD1-CB 4.17Å
147	S	98	Very high	96.3	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.8	167.1	-66.6	0	0	0	0	110.5	H138 K139 H141 N156	H138-S147 CarbonylContact C-O 3.47Å; H138-S147 WeakPolarHBondContact CA-O 3.03Å; K139-S147 PolarHBondContact N-O 2.89Å; K139-S147 PolarHBondContact O-N 3.41Å; H141-S147 WeakPolarHBondContact NE2-CB 3.28Å; H141-S147 PolarHBondContact NE2-OG 3.19Å; S147-N156 WeakPolarHBondContact CB-OD1 3.33Å; S147-N156 PolarHBondContact OG-OD1 3.46Å
148	L	98.5	Very high	96.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.9	170.2	-66.5	166.7	0	0	0	109.3	M109 V111 H136 K137 H138 L146 F150 T154 V155 I179	M109-L148 HydrophobicContact CG-CD2 4.31Å; M109-L148 HydrophobicContact SD-CD2 4.08Å; V111-L148 HydrophobicContact CG1-CD1 3.89Å; V111-L148 HydrophobicContact CG2-CD1 3.83Å; V111-L148 HydrophobicContact CG2-CD2 3.69Å; V111-L148 HydrophobicContact CG2-CG 4.33Å; H136-L148 HydrophobicContact CB-CD2 4.39Å; K137-L148 CarbonylContact O-C 3.59Å; K137-L148 WeakPolarHBondContact O-CA 3.2Å; H138-L148 HydrophobicContact CB-CD2 3.95Å; L146-L148 HydrophobicContact CD2-CD1 4.34Å; L146-L148 HydrophobicContact CD2-CD2 3.6Å; L146-L148 HydrophobicContact CD2-CG 3.56Å; L148-F150 HydrophobicContact CB-CD2 4.42Å; L148-F150 HydrophobicContact CB-CE2 3.87Å; L148-T154 CarbonylContact O-C 3.55Å; L148-T154 VanDerWaalsContact O-CA 3.27Å; L148-T154 WeakPolarHBondContact O-CA 3.35Å; L148-V155 PolarHBondContact N-O 3.22Å; L148-V155 PolarHBondContact O-N 2.9Å; L148-I179 HydrophobicContact CD1-CD1 3.42Å; L148-I179 VanDerWaalsContact CD1-CD1 3.42Å
149	Y	98.3	Very high	96	Very high	69 Å²	69	64.5 Å²	64.5	27%	0.271	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.8	179.8	-70.8	-93.2	0	0	0	111.3	T103 H136 K137 K139 S153 T154	T103-Y149 PolarHBondContact OG1-O 2.9Å; H136-Y149 PolarHBondContact ND1-O 3.48Å; K137-Y149 HydrophobicContact CB-CD2 3.99Å; K137-Y149 HydrophobicContact CB-CG 4.38Å; K137-Y149 PolarHBondContact O-N 2.79Å; K139-Y149 HydrophobicContact CB-CE2 3.73Å; K139-Y149 WeakPolarHBondContact CD-OH 3.28Å; Y149-S153 WeakPolarHBondContact CA-O 3.17Å; Y149-T154 HydrophobicContact CD1-CG2 3.57Å; Y149-T154 HydrophobicContact CE1-CG2 3.48Å; Y149-T154 VanDerWaalsContact CE1-CG2 3.48Å; Y149-T154 HydrophobicContact CG-CG2 4.17Å
150	F	98.3	Very high	95.9	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	85.8	170.3	-71.2	-100.2	0	0	0	106.6	Y101 W117 H136 L148 D152 S153 V155 F166 V168 L175 I179	Y101-F150 HydrophobicContact CD2-CB 4.1Å; Y101-F150 WeakPolarHBondContact O-CA 3.2Å; W117-F150 AromaticContact CH2-CE1 3.68Å; W117-F150 HydrophobicContact CH2-CE1 3.68Å; W117-F150 HydrophobicContact CH2-CZ 4.21Å; W117-F150 AromaticContact CZ3-CE1 3.89Å; W117-F150 HydrophobicContact CZ3-CE1 3.89Å; H136-F150 AromaticContact CE1-CD1 3.24Å; H136-F150 WeakPolarHBondContact CE1-CD1 3.29Å; H136-F150 AromaticContact CE1-CE1 3.12Å; H136-F150 WeakPolarHBondContact CE1-CE1 3.34Å; H136-F150 AromaticContact CE1-CG 3.95Å; H136-F150 AromaticContact CE1-CZ 3.73Å; H136-F150 AromaticContact ND1-CD1 3.62Å; H136-F150 AromaticContact ND1-CE1 3.64Å; H136-F150 AromaticContact ND1-CG 3.85Å; H136-F150 AromaticContact ND1-CZ 3.88Å; H136-F150 AromaticContact NE2-CE1 3.49Å; H136-F150 WeakPolarHBondContact NE2-CE1 3.39Å; H136-F150 AromaticContact NE2-CZ 3.9Å; L148-F150 HydrophobicContact CB-CD2 4.42Å; L148-F150 HydrophobicContact CB-CE2 3.87Å; F150-D152 PolarHBondContact O-N 3.24Å; F150-S153 PolarHBondContact N-O 2.57Å; F150-S153 WeakPolarHBondContact O-CB 3.09Å; F150-S153 PolarHBondContact O-N 2.74Å; F150-S153 VanDerWaalsContact O-N 3.09Å; F150-V155 HydrophobicContact CD2-CB 4.05Å; F150-V155 HydrophobicContact CD2-CG2 3.5Å; F150-V155 VanDerWaalsContact CD2-CG2 3.5Å; F150-V155 HydrophobicContact CE2-CB 3.81Å; F150-V155 HydrophobicContact CE2-CG2 3.59Å; F150-V155 HydrophobicContact CG-CG2 4.35Å; F150-V155 HydrophobicContact CZ-CG2 4.49Å; F150-F166 HydrophobicContact CD1-CE2 4.04Å; F150-F166 HydrophobicContact CD1-CZ 4.21Å; F150-F166 HydrophobicContact CE1-CE1 4.27Å; F150-F166 HydrophobicContact CE1-CE2 4Å; F150-F166 AromaticContact CE1-CZ 3.71Å; F150-F166 HydrophobicContact CE1-CZ 3.71Å; F150-F166 HydrophobicContact CZ-CE1 4.28Å; F150-F166 HydrophobicContact CZ-CZ 4.16Å; F150-V168 HydrophobicContact CB-CG2 3.99Å; F150-L175 HydrophobicContact CD1-CD2 4.02Å; F150-I179 HydrophobicContact CZ-CG2 3.97Å
151	K	95.8	Very high	95.9	Very high	52 Å²	52	65.5 Å²	65.5	23%	0.226	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-123.1	-161.9	-61.5	-177.8	174	-178.9	0	111.1	Y101 S153 D170	Y101-K151 HydrophobicContact CD1-CD 3.72Å; Y101-K151 HydrophobicContact CD1-CG 4.14Å; Y101-K151 HydrophobicContact CD2-CB 4.48Å; Y101-K151 HydrophobicContact CD2-CD 4.28Å; Y101-K151 HydrophobicContact CD2-CG 4.29Å; Y101-K151 HydrophobicContact CE1-CD 3.93Å; Y101-K151 HydrophobicContact CG-CD 3.91Å; Y101-K151 HydrophobicContact CG-CG 3.87Å; Y101-K151 PolarHBondContact O-N 3.21Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-D170 HydrophobicContact CB-CB 4.3Å; K151-D170 HydrophobicContact CD-CB 3.6Å; K151-D170 WeakPolarHBondContact CD-OD2 3.18Å; K151-D170 WeakPolarHBondContact CE-OD2 3.28Å; K151-D170 IonicContact NZ-OD2 3.16Å; K151-D170 PolarHBondContact NZ-OD2 3.28Å
152	D	92.5	Very high	95.9	Very high	144 Å²	144	65.2 Å²	65.2	77%	0.77	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.3	-179.6	-68.3	-18.1	0	0	0	113.4	F150	F150-D152 PolarHBondContact O-N 3.24Å
153	S	97.3	Very high	96.2	Very high	26 Å²	26	55.5 Å²	55.5	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	157.8	177.1	-71.1	0	0	0	0	112	Y149 F150 K151 V168 T169	Y149-S153 WeakPolarHBondContact CA-O 3.17Å; F150-S153 PolarHBondContact N-O 2.57Å; F150-S153 WeakPolarHBondContact O-CB 3.09Å; F150-S153 PolarHBondContact O-N 2.74Å; F150-S153 VanDerWaalsContact O-N 3.09Å; K151-S153 VanDerWaalsContact C-N 3.3Å; S153-V168 VanDerWaalsContact CB-CB 3.44Å; S153-T169 PolarHBondContact OG-O 3.48Å
154	T	97.4	Very high	96.5	Very high	66 Å²	66	51.3 Å²	51.3	41%	0.405	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.7	178.2	55.1	0	0	0	0	112.2	L148 Y149	L148-T154 CarbonylContact O-C 3.55Å; L148-T154 VanDerWaalsContact O-CA 3.27Å; L148-T154 WeakPolarHBondContact O-CA 3.35Å; Y149-T154 HydrophobicContact CD1-CG2 3.57Å; Y149-T154 HydrophobicContact CE1-CG2 3.48Å; Y149-T154 VanDerWaalsContact CE1-CG2 3.48Å; Y149-T154 HydrophobicContact CG-CG2 4.17Å
155	V	98.1	Very high	96.8	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.6	172	-178.6	0	0	0	0	107.9	L148 F150 V164 F166 V168 I179	L148-V155 PolarHBondContact N-O 3.22Å; L148-V155 PolarHBondContact O-N 2.9Å; F150-V155 HydrophobicContact CD2-CB 4.05Å; F150-V155 HydrophobicContact CD2-CG2 3.5Å; F150-V155 VanDerWaalsContact CD2-CG2 3.5Å; F150-V155 HydrophobicContact CE2-CB 3.81Å; F150-V155 HydrophobicContact CE2-CG2 3.59Å; F150-V155 HydrophobicContact CG-CG2 4.35Å; F150-V155 HydrophobicContact CZ-CG2 4.49Å; V155-V164 HydrophobicContact CG1-CB 4.42Å; V155-V164 HydrophobicContact CG1-CG1 3.62Å; V155-F166 HydrophobicContact CB-CB 4.41Å; V155-F166 HydrophobicContact CG1-CB 4.02Å; V155-F166 HydrophobicContact CG1-CG 4.48Å; V155-F166 HydrophobicContact CG2-CB 3.45Å; V155-F166 VanDerWaalsContact CG2-CB 3.45Å; V155-F166 HydrophobicContact CG2-CD1 4.26Å; V155-F166 HydrophobicContact CG2-CD2 4.05Å; V155-F166 HydrophobicContact CG2-CG 3.66Å; V155-V168 HydrophobicContact CG2-CG1 4.15Å; V155-I179 HydrophobicContact CB-CD1 4.42Å; V155-I179 HydrophobicContact CG1-CD1 3.76Å; V155-I179 HydrophobicContact CG1-CG1 4.3Å
156	N	97.8	Very high	97	Very high	89 Å²	89	59 Å²	59	48%	0.476	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.7	-172.7	-65.3	-25.1	0	0	0	111.8	S147	S147-N156 WeakPolarHBondContact CB-OD1 3.33Å; S147-N156 PolarHBondContact OG-OD1 3.46Å
157	C	97.9	Very high	97.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.5	175.7	-81	0	0	0	0	109.9	L146 C181 I184	L146-C157 HydrophobicContact CD2-CB 4.38Å; L146-C157 PolarHBondContact N-O 2.86Å; L146-C157 PolarHBondContact O-N 3.4Å; C157-C181 WeakPolarHBondContact CA-SG 3.42Å; C157-C181 HydrophobicContact CB-CB 3.67Å; C157-C181 WeakPolarHBondContact CB-SG 3.41Å; C157-C181 WeakPolarHBondContact SG-CA 3.46Å; C157-C181 WeakPolarHBondContact SG-CB 3.05Å; C157-C181 CovalentContact SG-SG 2.04Å; C157-C181 PolarHBondContact SG-SG 2.77Å; C157-I184 HydrophobicContact CB-CD1 4.49Å; C157-I184 VanDerWaalsContact O-CD1 3.3Å; C157-I184 WeakPolarHBondContact O-CD1 3.48Å
158	T	95.3	Very high	97.1	Very high	100 Å²	100	64 Å²	64	61%	0.613	33%	0.331	S	S	*	.			trans	-105.7	-24.9	179.9	56.1	0	0	0	0	112.6	T145 I184	T145-T158 HydrophobicContact CG2-CG2 3.99Å; T158-I184 WeakPolarHBondContact O-CD1 3.24Å
159	K	95.1	Very high	97	Very high	143 Å²	143	67.5 Å²	67.5	62%	0.622	35%	0.353	S	S	*	.	S	Bend	trans	-150.8	144.8	-177.5	-173.8	176.2	-178.4	178.5	0	112	V162 C181	K159-V162 HydrophobicContact CB-CG2 3.81Å; K159-V162 HydrophobicContact CD-CG2 4.32Å; K159-V162 HydrophobicContact CG-CG2 4.2Å; K159-V162 PolarHBondContact O-N 2.95Å; K159-C181 WeakPolarHBondContact O-CB 3.46Å
160	K	95.3	Very high	96.9	Very high	136 Å²	136	66.1 Å²	66.1	59%	0.591	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	136	174.6	-178.2	-173.8	177.7	-178.9	0	111.7	V162 P182 N183	K160-V162 PolarHBondContact O-N 3.07Å; K160-P182 WeakPolarHBondContact CA-O 3.38Å; K160-N183 HydrophobicContact CD-CB 3.81Å; K160-N183 HydrophobicContact CG-CB 4.1Å
161	G	95.8	Very high	96.7	Very high	42 Å²	42	69.9 Å²	69.9	43%	0.433	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-3.4	170.9	0	0	0	0	0	114.5	P163 C181	G161-P163 WeakPolarHBondContact O-CD 3.5Å; G161-C181 PolarHBondContact N-O 3.45Å
162	V	96.8	Very high	96.7	Very high	56 Å²	56	72.9 Å²	72.9	34%	0.339	42%	0.416	S	S	.	.			trans	-73.7	124.6	176	175	0	0	0	0	109.1	K159 K160 V164 C181	K159-V162 HydrophobicContact CB-CG2 3.81Å; K159-V162 HydrophobicContact CD-CG2 4.32Å; K159-V162 HydrophobicContact CG-CG2 4.2Å; K159-V162 PolarHBondContact O-N 2.95Å; K160-V162 PolarHBondContact O-N 3.07Å; V162-V164 HydrophobicContact CG1-CG2 4.4Å; V162-C181 WeakPolarHBondContact O-CB 3.36Å; V162-C181 PolarHBondContact O-N 2.99Å; V162-C181 PolarHBondContact O-SG 2.86Å
163	P	97.7	Very high	96.9	Very high	58 Å²	58	66.9 Å²	66.9	38%	0.377	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134	170.4	-19.3	33.5	0	0	0	110.9	G161 E178 I179	G161-P163 WeakPolarHBondContact O-CD 3.5Å; P163-E178 HydrophobicContact CB-CG 4.16Å; P163-I179 CarbonylContact C-O 3.47Å; P163-I179 VanDerWaalsContact CA-O 3.23Å; P163-I179 WeakPolarHBondContact CA-O 3.27Å
164	V	98.1	Very high	96.9	Very high	32 Å²	32	71.7 Å²	71.7	19%	0.194	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	114.6	176.8	176.6	0	0	0	0	109	V155 V162 E178 I179 C181	V155-V164 HydrophobicContact CG1-CB 4.42Å; V155-V164 HydrophobicContact CG1-CG1 3.62Å; V162-V164 HydrophobicContact CG1-CG2 4.4Å; V164-E178 WeakPolarHBondContact O-CA 3.44Å; V164-I179 HydrophobicContact CB-CG1 4.14Å; V164-I179 PolarHBondContact N-O 2.79Å; V164-I179 PolarHBondContact O-N 3.29Å; V164-C181 WeakPolarHBondContact CG2-SG 3.39Å
165	R	98.2	Very high	97	Very high	201 Å²	201	68.6 Å²	68.6	76%	0.758	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.7	169.5	-67.2	-173.2	177.9	-166.1	-3.5	109.5	G177 E178	R165-G177 WeakPolarHBondContact CA-O 3.41Å; R165-E178 HydrophobicContact CG-CB 4.06Å; R165-E178 HydrophobicContact CG-CG 3.71Å; R165-E178 WeakPolarHBondContact CG-OE2 3.19Å; R165-E178 IonicContact CZ-OE2 3.53Å; R165-E178 IonicContact NE-OE2 3.79Å; R165-E178 PolarHBondContact NE-OE2 3.35Å; R165-E178 IonicContact NH2-OE2 3.41Å
166	F	98.3	Very high	97	Very high	12 Å²	12	71.5 Å²	71.5	5%	0.053	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.1	177.7	67.1	-87.5	0	0	0	111	W117 F150 V155 V168 L175 N176 G177 I179	W117-F166 HydrophobicContact CD2-CZ 4.06Å; W117-F166 AromaticContact CE2-CE1 3.98Å; W117-F166 AromaticContact CE2-CZ 3.91Å; W117-F166 AromaticContact CE3-CZ 3.99Å; W117-F166 HydrophobicContact CE3-CZ 3.99Å; W117-F166 HydrophobicContact CH2-CE1 4.01Å; W117-F166 AromaticContact CH2-CZ 3.68Å; W117-F166 HydrophobicContact CH2-CZ 3.68Å; W117-F166 AromaticContact CZ2-CE1 3.68Å; W117-F166 HydrophobicContact CZ2-CE1 3.68Å; W117-F166 AromaticContact CZ2-CZ 3.74Å; W117-F166 HydrophobicContact CZ2-CZ 3.74Å; W117-F166 AromaticContact CZ3-CZ 3.81Å; W117-F166 HydrophobicContact CZ3-CZ 3.81Å; F150-F166 HydrophobicContact CD1-CE2 4.04Å; F150-F166 HydrophobicContact CD1-CZ 4.21Å; F150-F166 HydrophobicContact CE1-CE1 4.27Å; F150-F166 HydrophobicContact CE1-CE2 4Å; F150-F166 AromaticContact CE1-CZ 3.71Å; F150-F166 HydrophobicContact CE1-CZ 3.71Å; F150-F166 HydrophobicContact CZ-CE1 4.28Å; F150-F166 HydrophobicContact CZ-CZ 4.16Å; V155-F166 HydrophobicContact CB-CB 4.41Å; V155-F166 HydrophobicContact CG1-CB 4.02Å; V155-F166 HydrophobicContact CG1-CG 4.48Å; V155-F166 HydrophobicContact CG2-CB 3.45Å; V155-F166 VanDerWaalsContact CG2-CB 3.45Å; V155-F166 HydrophobicContact CG2-CD1 4.26Å; V155-F166 HydrophobicContact CG2-CD2 4.05Å; V155-F166 HydrophobicContact CG2-CG 3.66Å; F166-V168 HydrophobicContact CD2-CG1 4.14Å; F166-V168 HydrophobicContact CD2-CG2 3.91Å; F166-V168 HydrophobicContact CE2-CG2 4.12Å; F166-L175 HydrophobicContact CE2-CD2 3.97Å; F166-L175 HydrophobicContact CE2-CG 3.88Å; F166-L175 HydrophobicContact CZ-CD2 4.34Å; F166-L175 HydrophobicContact CZ-CG 4.4Å; F166-N176 WeakPolarHBondContact O-CA 3.36Å; F166-N176 PolarHBondContact O-ND2 3.33Å; F166-G177 WeakPolarHBondContact CD1-O 3.28Å; F166-G177 VanDerWaalsContact CE1-C 3.4Å; F166-G177 PolarHBondContact N-O 3.22Å; F166-G177 PolarHBondContact O-N 3.22Å; F166-G177 VanDerWaalsContact O-N 3.11Å; F166-I179 HydrophobicContact CD1-CG1 4.48Å; F166-I179 HydrophobicContact CD1-CG2 4.5Å; F166-I179 HydrophobicContact CE1-CG2 3.91Å
167	N	98.1	Very high	97	Very high	100 Å²	100	67.6 Å²	67.6	54%	0.535	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	104	172.7	-175.1	-4	0	0	0	106.4	R174 L175	N167-R174 WeakPolarHBondContact OD1-CD 2.93Å; N167-R174 WeakPolarHBondContact OD1-CG 3.3Å; N167-L175 WeakPolarHBondContact CA-O 3.28Å
168	V	98.1	Very high	97	Very high	12 Å²	12	68.7 Å²	68.7	7%	0.073	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.2	-171	-65.9	0	0	0	0	110.9	Y101 F150 S153 V155 F166 R174 L175	Y101-V168 HydrophobicContact CD2-CG2 3.79Å; Y101-V168 HydrophobicContact CE2-CG2 3.9Å; F150-V168 HydrophobicContact CB-CG2 3.99Å; S153-V168 VanDerWaalsContact CB-CB 3.44Å; V155-V168 HydrophobicContact CG2-CG1 4.15Å; F166-V168 HydrophobicContact CD2-CG1 4.14Å; F166-V168 HydrophobicContact CD2-CG2 3.91Å; F166-V168 HydrophobicContact CE2-CG2 4.12Å; V168-R174 CarbonylContact O-C 3.49Å; V168-R174 WeakPolarHBondContact O-CA 3.46Å; V168-R174 WeakPolarHBondContact O-CG 3.48Å; V168-L175 HydrophobicContact CG2-CB 4.04Å; V168-L175 PolarHBondContact N-O 2.82Å; V168-L175 PolarHBondContact O-N 2.62Å
169	T	97.2	Very high	97.2	Very high	73 Å²	73	64 Å²	64	45%	0.448	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.3	-178.2	52.8	0	0	0	0	111.2	S153 T173 R174	S153-T169 PolarHBondContact OG-O 3.48Å; T169-T173 VanDerWaalsContact CA-O 3.31Å; T169-T173 WeakPolarHBondContact CA-O 3.13Å; T169-R174 HydrophobicContact CG2-CB 4.16Å; T169-R174 HydrophobicContact CG2-CG 4.11Å
170	D	95.7	Very high	97.3	Very high	39 Å²	39	59.1 Å²	59.1	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	107.9	171.4	177.7	70.7	0	0	0	108.4	Y101 K151 S172 T173	Y101-D170 HydrophobicContact CE1-CB 4.31Å; Y101-D170 HydrophobicContact CE2-CB 3.82Å; Y101-D170 PolarHBondContact OH-N 2.78Å; K151-D170 HydrophobicContact CB-CB 4.3Å; K151-D170 HydrophobicContact CD-CB 3.6Å; K151-D170 WeakPolarHBondContact CD-OD2 3.18Å; K151-D170 WeakPolarHBondContact CE-OD2 3.28Å; K151-D170 IonicContact NZ-OD2 3.16Å; K151-D170 PolarHBondContact NZ-OD2 3.28Å; D170-S172 PolarHBondContact O-N 3.16Å; D170-T173 PolarHBondContact N-O 2.7Å; D170-T173 PolarHBondContact O-N 3.05Å; D170-T173 PolarHBondContact O-OG1 2.71Å
171	G	94.4	Very high	97.4	Very high	80 Å²	80	52.8 Å²	52.8	83%	0.825	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	-125	-168.7	0	0	0	0	0	112	T173	G171-T173 VanDerWaalsContact C-N 3.3Å
172	S	95.3	Very high	97.4	Very high	114 Å²	114	51.7 Å²	51.7	80%	0.797	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	1.5	177.3	58.4	0	0	0	0	114.1	D170	D170-S172 PolarHBondContact O-N 3.16Å
173	T	97.1	Very high	97.3	Very high	19 Å²	19	51.6 Å²	51.6	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	154.3	-176.3	69.7	0	0	0	0	110.7	Y101 Y119 T120 D121 T169 D170 G171	Y101-T173 WeakPolarHBondContact OH-CB 3.47Å; Y101-T173 PolarHBondContact OH-O 3.24Å; Y101-T173 PolarHBondContact OH-OG1 2.86Å; Y119-T173 HydrophobicContact CE2-CG2 4.43Å; Y119-T173 VanDerWaalsContact OH-CG2 3.28Å; Y119-T173 WeakPolarHBondContact OH-CG2 3.49Å; T120-T173 CarbonylContact O-C 3.38Å; T120-T173 VanDerWaalsContact O-CA 3.24Å; T120-T173 WeakPolarHBondContact O-CA 3.27Å; D121-T173 HydrophobicContact CB-CG2 4Å; T169-T173 VanDerWaalsContact CA-O 3.31Å; T169-T173 WeakPolarHBondContact CA-O 3.13Å; D170-T173 PolarHBondContact N-O 2.7Å; D170-T173 PolarHBondContact O-N 3.05Å; D170-T173 PolarHBondContact O-OG1 2.71Å; G171-T173 VanDerWaalsContact C-N 3.3Å
174	R	98.1	Very high	97.2	Very high	127 Å²	127	49.3 Å²	49.3	48%	0.479	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.4	-179.7	-177.5	-178.1	-64.6	150.5	5.5	110.5	Y101 Y119 T120 N167 V168 T169	Y101-R174 PolarHBondContact OH-N 3.38Å; Y119-R174 CarbonylContact C-O 3.59Å; Y119-R174 WeakPolarHBondContact CA-O 3.35Å; T120-R174 PolarHBondContact N-O 3.47Å; T120-R174 PolarHBondContact O-N 3.08Å; N167-R174 WeakPolarHBondContact OD1-CD 2.93Å; N167-R174 WeakPolarHBondContact OD1-CG 3.3Å; V168-R174 CarbonylContact O-C 3.49Å; V168-R174 WeakPolarHBondContact O-CA 3.46Å; V168-R174 WeakPolarHBondContact O-CG 3.48Å; T169-R174 HydrophobicContact CG2-CB 4.16Å; T169-R174 HydrophobicContact CG2-CG 4.11Å
175	L	98.4	Very high	96.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.3	171.6	-177.1	64.2	0	0	0	109.5	R99 Y101 W117 T118 L127 F150 F166 N167 V168	R99-L175 WeakPolarHBondContact O-CD1 3.18Å; Y101-L175 HydrophobicContact CD1-CB 4.44Å; Y101-L175 HydrophobicContact CD1-CD2 4.37Å; Y101-L175 HydrophobicContact CD2-CB 3.87Å; Y101-L175 HydrophobicContact CD2-CD2 4.08Å; Y101-L175 HydrophobicContact CE1-CB 4.42Å; Y101-L175 HydrophobicContact CE2-CB 3.77Å; Y101-L175 HydrophobicContact CG-CB 4.19Å; Y101-L175 HydrophobicContact CG-CD2 3.81Å; W117-L175 HydrophobicContact CE3-CD1 4.13Å; W117-L175 HydrophobicContact CE3-CD2 4.08Å; W117-L175 HydrophobicContact CE3-CG 4.36Å; W117-L175 HydrophobicContact CZ3-CD2 4.08Å; T118-L175 WeakPolarHBondContact O-CA 3.29Å; L127-L175 HydrophobicContact CD1-CD1 3.95Å; F150-L175 HydrophobicContact CD1-CD2 4.02Å; F166-L175 HydrophobicContact CE2-CD2 3.97Å; F166-L175 HydrophobicContact CE2-CG 3.88Å; F166-L175 HydrophobicContact CZ-CD2 4.34Å; F166-L175 HydrophobicContact CZ-CG 4.4Å; N167-L175 WeakPolarHBondContact CA-O 3.28Å; V168-L175 HydrophobicContact CG2-CB 4.04Å; V168-L175 PolarHBondContact N-O 2.82Å; V168-L175 PolarHBondContact O-N 2.62Å
176	N	98.3	Very high	96.6	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.2	173.8	175.9	-108.8	0	0	0	109.8	W117 T118 F166	W117-N176 CarbonylContact C-O 3.6Å; W117-N176 WeakPolarHBondContact CA-O 3.11Å; T118-N176 PolarHBondContact N-O 2.81Å; T118-N176 PolarHBondContact O-N 2.74Å; F166-N176 WeakPolarHBondContact O-CA 3.36Å; F166-N176 PolarHBondContact O-ND2 3.33Å
177	G	98	Very high	96.3	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	-170.6	179.9	0	0	0	0	0	112.4	W117 R165 F166	W117-G177 VanDerWaalsContact CD1-CA 3.45Å; R165-G177 WeakPolarHBondContact CA-O 3.41Å; F166-G177 WeakPolarHBondContact CD1-O 3.28Å; F166-G177 VanDerWaalsContact CE1-C 3.4Å; F166-G177 PolarHBondContact N-O 3.22Å; F166-G177 PolarHBondContact O-N 3.22Å; F166-G177 VanDerWaalsContact O-N 3.11Å
178	E	98.2	Very high	95.9	Very high	23 Å²	23	46 Å²	46	11%	0.107	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.3	174.3	-165.6	178.6	82.6	0	0	109.3	R114 W117 P163 V164 R165	R114-E178 HydrophobicContact CB-CB 4.27Å; R114-E178 HydrophobicContact CB-CG 4.28Å; R114-E178 WeakPolarHBondContact CD-OE1 3.18Å; R114-E178 WeakPolarHBondContact CG-OE1 3.28Å; R114-E178 IonicContact CZ-OE1 3.32Å; R114-E178 PolarHBondContact N-O 2.85Å; R114-E178 IonicContact NE-OE1 3.39Å; R114-E178 PolarHBondContact NE-OE1 3.13Å; R114-E178 IonicContact NH1-OE1 2.67Å; R114-E178 PolarHBondContact NH1-OE1 2.84Å; R114-E178 IonicContact NH1-OE2 3.64Å; W117-E178 PolarHBondContact NE1-O 2.72Å; P163-E178 HydrophobicContact CB-CG 4.16Å; V164-E178 WeakPolarHBondContact O-CA 3.44Å; R165-E178 HydrophobicContact CG-CB 4.06Å; R165-E178 HydrophobicContact CG-CG 3.71Å; R165-E178 WeakPolarHBondContact CG-OE2 3.19Å; R165-E178 IonicContact CZ-OE2 3.53Å; R165-E178 IonicContact NE-OE2 3.79Å; R165-E178 PolarHBondContact NE-OE2 3.35Å; R165-E178 IonicContact NH2-OE2 3.41Å
179	I	98.2	Very high	95.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	159.6	173.9	51.9	165.9	0	0	0	110.7	V111 T112 W117 L148 F150 V155 P163 V164 F166	V111-I179 HydrophobicContact CG1-CB 3.84Å; V111-I179 HydrophobicContact CG1-CD1 4.19Å; V111-I179 HydrophobicContact CG1-CG2 3.51Å; T112-I179 CarbonylContact O-C 3.5Å; T112-I179 WeakPolarHBondContact O-CA 3.03Å; W117-I179 HydrophobicContact CH2-CG2 3.85Å; W117-I179 HydrophobicContact CZ2-CG2 3.49Å; W117-I179 VanDerWaalsContact CZ2-CG2 3.49Å; L148-I179 HydrophobicContact CD1-CD1 3.42Å; L148-I179 VanDerWaalsContact CD1-CD1 3.42Å; F150-I179 HydrophobicContact CZ-CG2 3.97Å; V155-I179 HydrophobicContact CB-CD1 4.42Å; V155-I179 HydrophobicContact CG1-CD1 3.76Å; V155-I179 HydrophobicContact CG1-CG1 4.3Å; P163-I179 CarbonylContact C-O 3.47Å; P163-I179 VanDerWaalsContact CA-O 3.23Å; P163-I179 WeakPolarHBondContact CA-O 3.27Å; V164-I179 HydrophobicContact CB-CG1 4.14Å; V164-I179 PolarHBondContact N-O 2.79Å; V164-I179 PolarHBondContact O-N 3.29Å; F166-I179 HydrophobicContact CD1-CG1 4.48Å; F166-I179 HydrophobicContact CD1-CG2 4.5Å; F166-I179 HydrophobicContact CE1-CG2 3.91Å
180	V	97.8	Very high	93.5	Very high	42 Å²	42	55.8 Å²	55.8	26%	0.255	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.3	164.5	-176.9	0	0	0	0	108.5	T112 R114	T112-V180 HydrophobicContact CG2-CB 4.38Å; T112-V180 HydrophobicContact CG2-CG2 4.34Å; T112-V180 PolarHBondContact O-N 2.87Å; R114-V180 HydrophobicContact CB-CG2 4.19Å
181	C	97.8	Very high	91.5	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.02	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.9	133.8	-177.4	-78.8	0	0	0	0	112.3	C157 K159 G161 V162 V164	C157-C181 WeakPolarHBondContact CA-SG 3.42Å; C157-C181 HydrophobicContact CB-CB 3.67Å; C157-C181 WeakPolarHBondContact CB-SG 3.41Å; C157-C181 WeakPolarHBondContact SG-CA 3.46Å; C157-C181 WeakPolarHBondContact SG-CB 3.05Å; C157-C181 CovalentContact SG-SG 2.04Å; C157-C181 PolarHBondContact SG-SG 2.77Å; K159-C181 WeakPolarHBondContact O-CB 3.46Å; G161-C181 PolarHBondContact N-O 3.45Å; V162-C181 WeakPolarHBondContact O-CB 3.36Å; V162-C181 PolarHBondContact O-N 2.99Å; V162-C181 PolarHBondContact O-SG 2.86Å; V164-C181 WeakPolarHBondContact CG2-SG 3.39Å
182	P	96.5	Very high	89.2	Confident	18 Å²	18	67.5 Å²	67.5	12%	0.117	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-72.6	173.7	-177.8	31.6	-37	0	0	0	112.4	M109 L146 K160 I184 F187	M109-P182 HydrophobicContact CE-CB 3.22Å; M109-P182 HydrophobicContact CE-CG 3.47Å; M109-P182 VanDerWaalsContact CE-CG 3.47Å; M109-P182 HydrophobicContact SD-CB 4.31Å; M109-P182 HydrophobicContact SD-CG 4Å; L146-P182 HydrophobicContact CD2-CG 4.28Å; K160-P182 WeakPolarHBondContact CA-O 3.38Å; P182-I184 PolarHBondContact O-N 3.04Å; P182-F187 HydrophobicContact CB-CD2 4.3Å; P182-F187 HydrophobicContact CB-CE2 3.91Å
183	N	94.4	Very high	88.8	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.294	35%	0.348	S	S	.	.			trans	-70.1	95.7	170.6	-174.1	2.8	0	0	0	110.5	K160 N185 M186 F187	K160-N183 HydrophobicContact CD-CB 3.81Å; K160-N183 HydrophobicContact CG-CB 4.1Å; N183-N185 VanDerWaalsContact C-N 3.25Å; N183-N185 PolarHBondContact O-N 3.09Å; N183-N185 PolarHBondContact OD1-N 3.07Å; N183-M186 HydrophobicContact CB-CB 3.94Å; N183-M186 WeakPolarHBondContact O-CB 3.37Å; N183-M186 PolarHBondContact O-N 2.98Å; N183-F187 VanDerWaalsContact O-CD2 3.26Å; N183-F187 WeakPolarHBondContact O-CD2 3.33Å
184	I	94.6	Very high	88.4	Confident	9 Å²	9	67.6 Å²	67.6	5%	0.046	36%	0.36	C	S	.	.	H	α-helix	trans	-52.9	-43.7	-176.8	-60.1	172.3	0	0	0	111.5	G144 L146 C157 T158 P182 M186 F187 C188	G144-I184 WeakPolarHBondContact O-CG2 3.47Å; L146-I184 HydrophobicContact CB-CD1 4.44Å; L146-I184 HydrophobicContact CB-CG1 4.07Å; L146-I184 HydrophobicContact CB-CG2 4.13Å; C157-I184 HydrophobicContact CB-CD1 4.49Å; C157-I184 VanDerWaalsContact O-CD1 3.3Å; C157-I184 WeakPolarHBondContact O-CD1 3.48Å; T158-I184 WeakPolarHBondContact O-CD1 3.24Å; P182-I184 PolarHBondContact O-N 3.04Å; I184-M186 PolarHBondContact O-N 3.14Å; I184-M186 VanDerWaalsContact O-N 3.15Å; I184-F187 PolarHBondContact O-N 2.74Å; I184-C188 HydrophobicContact CG2-CB 3.95Å; I184-C188 WeakPolarHBondContact O-CB 3.22Å; I184-C188 PolarHBondContact O-N 2.86Å
185	N	92.2	Very high	87.9	Confident	119 Å²	119	64.3 Å²	64.3	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-19.1	-179.5	-64	-12.6	0	0	0	113.9	N183	N183-N185 VanDerWaalsContact C-N 3.25Å; N183-N185 PolarHBondContact O-N 3.09Å; N183-N185 PolarHBondContact OD1-N 3.07Å
186	M	91.7	Very high	87.3	Confident	116 Å²	116	68.1 Å²	68.1	57%	0.571	37%	0.374	S	S	*	.	H	α-helix	trans	-74.3	-32.3	175	-174.7	176.7	-176.3	0	0	111.9	A19 N183 I184	A19-M186 HydrophobicContact CB-CE 3.89Å; N183-M186 HydrophobicContact CB-CB 3.94Å; N183-M186 WeakPolarHBondContact O-CB 3.37Å; N183-M186 PolarHBondContact O-N 2.98Å; I184-M186 PolarHBondContact O-N 3.14Å; I184-M186 VanDerWaalsContact O-N 3.15Å
187	F	91.6	Very high	86.6	Confident	32 Å²	32	68.1 Å²	68.1	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-103.7	-34.5	-175.2	-61.5	-80	0	0	0	112.1	A19 Y20 M109 L146 P182 N183 I184	A19-F187 HydrophobicContact CB-CE1 3.97Å; A19-F187 HydrophobicContact CB-CZ 3.85Å; Y20-F187 HydrophobicContact CE1-CD1 4.43Å; Y20-F187 HydrophobicContact CE1-CE1 4.02Å; M109-F187 HydrophobicContact CB-CD1 4.27Å; M109-F187 HydrophobicContact CB-CE1 3.71Å; M109-F187 HydrophobicContact CB-CZ 4.18Å; M109-F187 HydrophobicContact CE-CD2 4.01Å; M109-F187 HydrophobicContact CE-CE1 4.01Å; M109-F187 HydrophobicContact CE-CE2 3.43Å; M109-F187 VanDerWaalsContact CE-CE2 3.43Å; M109-F187 HydrophobicContact CE-CZ 3.42Å; M109-F187 VanDerWaalsContact CE-CZ 3.42Å; M109-F187 HydrophobicContact CG-CE1 4.44Å; M109-F187 HydrophobicContact SD-CD1 3.95Å; M109-F187 HydrophobicContact SD-CD2 3.92Å; M109-F187 HydrophobicContact SD-CE1 3.9Å; M109-F187 HydrophobicContact SD-CE2 3.92Å; M109-F187 HydrophobicContact SD-CG 3.95Å; M109-F187 HydrophobicContact SD-CZ 3.9Å; L146-F187 HydrophobicContact CD1-CB 4.17Å; P182-F187 HydrophobicContact CB-CD2 4.3Å; P182-F187 HydrophobicContact CB-CE2 3.91Å; N183-F187 VanDerWaalsContact O-CD2 3.26Å; N183-F187 WeakPolarHBondContact O-CD2 3.33Å; I184-F187 PolarHBondContact O-N 2.74Å
188	C	91.6	Very high	85.8	Confident	8 Å²	8	72.1 Å²	72.1	5%	0.054	39%	0.394	C	S	.	.	S	Bend	trans	-101.7	114.4	179.5	-57.1	0	0	0	0	109.6	C140 I184 V190	C140-C188 VanDerWaalsContact CA-SG 3.59Å; C140-C188 HydrophobicContact CB-CB 3.69Å; C140-C188 WeakPolarHBondContact CB-SG 3.08Å; C140-C188 WeakPolarHBondContact SG-CA 3.15Å; C140-C188 WeakPolarHBondContact SG-CB 3.19Å; C140-C188 CovalentContact SG-SG 2.03Å; C140-C188 PolarHBondContact SG-SG 3.09Å; I184-C188 HydrophobicContact CG2-CB 3.95Å; I184-C188 WeakPolarHBondContact O-CB 3.22Å; I184-C188 PolarHBondContact O-N 2.86Å; C188-V190 VanDerWaalsContact C-N 3.28Å; C188-V190 PolarHBondContact O-N 3.24Å
189	K	80	Confident	84.9	Confident	204 Å²	204	75.6 Å²	75.6	89%	0.887	42%	0.415	S	S	*	.			trans	-68.2	93.1	163	-65.7	-175.9	-178.5	-178.3	0	107.4	K191	K189-K191 PolarHBondContact O-N 3.33Å
190	V	63.4	Low	83.9	Confident	88 Å²	88	81.5 Å²	81.5	53%	0.533	45%	0.447	S	S	.	.			trans	-65.1	108	165.4	-174.7	0	0	0	0	105.2	C188 A192	C188-V190 VanDerWaalsContact C-N 3.28Å; C188-V190 PolarHBondContact O-N 3.24Å; V190-A192 PolarHBondContact O-N 2.69Å
191	K	53.7	Low	82.8	Confident	195 Å²	195	84.8 Å²	84.8	85%	0.848	46%	0.463	S	S	*	.			trans	-63.4	119.8	166.1	-72.5	-172.7	176.4	-174.9	0	105.7	K189	K189-K191 PolarHBondContact O-N 3.33Å
192	A	45.6	Very low	81.4	Confident	170 Å²	170	92.2 Å²	92.2	100%	1.405	50%	0.503	S	S	*	.			trans	-58.9	0	166	0	0	0	0	0	110	V190	V190-A192 PolarHBondContact O-N 2.69Å

Retrieved 192 of 192 residues in 458.1 ms (Link to these results)

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