A0A077ZM77_TRITR Loading...

Lustrin cystein and Kunitz BPTI domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	69.1	Low	232 Å²	232	136 Å²	136	100%	1.143	76%	0.764	S	S	*	*				0	113	0	-74.4	-174.1	168.9	0	0	107.9
2	T	57.9	Low	69.9	Low	72 Å²	72	133.3 Å²	133.3	44%	0.442	74%	0.744	S	S	.	*			trans	-106.4	66	-179.4	44.9	0	0	0	0	110.2	G47 L48	T2-G47 PolarHBondContact OG1-O 3.41Å; T2-L48 HydrophobicContact CG2-CD2 3.97Å
3	T	68.4	Low	71.1	Confident	114 Å²	114	129.4 Å²	129.4	70%	0.699	72%	0.721	S	S	*	*			trans	-102.1	89.2	167	29.1	0	0	0	0	108
4	L	75.5	Confident	72.5	Confident	143 Å²	143	121.8 Å²	121.8	75%	0.749	68%	0.681	S	S	*	*			trans	-108.7	140.1	177.2	-68.6	170.1	0	0	0	109.6	C6	L4-C6 PolarHBondContact O-N 3.33Å
5	C	79.1	Confident	73.8	Confident	139 Å²	139	113.9 Å²	113.9	94%	0.939	64%	0.637	S	S	*	*			trans	-69.1	123.5	170.3	-63.5	0	0	0	0	109.5
6	C	79.1	Confident	74.9	Confident	104 Å²	104	113.6 Å²	113.6	70%	0.703	63%	0.629	S	S	*	*			trans	-111.4	150.8	174.1	-61.6	0	0	0	0	109.7	L4	L4-C6 PolarHBondContact O-N 3.33Å
7	P	77.2	Confident	75.9	Confident	126 Å²	126	107.9 Å²	107.9	82%	0.818	60%	0.596	S	S	*	*			trans	-59.1	139.8	170.5	-16.9	29.4	0	0	0	110.1	E9	P7-E9 PolarHBondContact O-N 3.47Å
8	K	75.6	Confident	77	Confident	162 Å²	162	108 Å²	108	70%	0.704	60%	0.6	S	S	*	*			trans	-63.2	134	174.9	-68.2	-162.2	170.8	-161.3	0	110.6	G10 E52	K8-G10 VanDerWaalsContact C-N 3.29Å; K8-G10 PolarHBondContact O-N 3.4Å; K8-E52 WeakPolarHBondContact CD-OE1 3.18Å; K8-E52 WeakPolarHBondContact CE-OE1 3.36Å; K8-E52 WeakPolarHBondContact CG-OE1 3.45Å; K8-E52 IonicContact NZ-OE1 3.57Å
9	E	65.2	Low	78	Confident	142 Å²	142	105.7 Å²	105.7	66%	0.664	58%	0.584	S	S	*	*			trans	-76.9	80.2	177.8	-111.8	171.6	175.1	0	0	109.9	P7	P7-E9 PolarHBondContact O-N 3.47Å
10	G	64.8	Low	78.9	Confident	56 Å²	56	102.6 Å²	102.6	58%	0.577	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.5	-171.2	179	0	0	0	0	0	114.6	K8 I12	K8-G10 VanDerWaalsContact C-N 3.29Å; K8-G10 PolarHBondContact O-N 3.4Å; G10-I12 PolarHBondContact O-N 3.25Å
11	E	70.7	Confident	79.7	Confident	206 Å²	206	100.7 Å²	100.7	96%	0.963	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	12.1	175.6	-80.6	-170.5	152.6	0	0	113.2	N13	E11-N13 PolarHBondContact O-N 3.23Å
12	I	78.3	Confident	82	Confident	103 Å²	103	90.4 Å²	90.4	53%	0.528	51%	0.513	S	S	.	.			trans	-74.8	115.7	-179.7	-58.5	175.6	0	0	0	108.2	G10 C14 H16 Q17	G10-I12 PolarHBondContact O-N 3.25Å; I12-C14 PolarHBondContact O-N 3.26Å; I12-H16 HydrophobicContact CG2-CB 4.01Å; I12-Q17 HydrophobicContact CG2-CG 4.04Å; I12-Q17 PolarHBondContact O-NE2 3.5Å
13	N	85.7	Confident	83.7	Confident	83 Å²	83	90.8 Å²	90.8	44%	0.444	51%	0.512	S	S	.	.			trans	-46.1	131	173.2	-176	-47.5	0	0	0	109.6	E11 C15 H16 Q17	E11-N13 PolarHBondContact O-N 3.23Å; N13-C15 PolarHBondContact O-N 2.94Å; N13-C15 VanDerWaalsContact O-N 3.08Å; N13-C15 WeakPolarHBondContact OD1-CB 3.36Å; N13-C15 PolarHBondContact OD1-N 3.37Å; N13-C15 PolarHBondContact OD1-SG 2.87Å; N13-C15 VanDerWaalsContact OD1-SG 3.33Å; N13-H16 WeakPolarHBondContact O-CA 3.4Å; N13-H16 WeakPolarHBondContact O-CB 3.17Å; N13-H16 PolarHBondContact O-N 3Å; N13-Q17 PolarHBondContact O-N 3.37Å
14	C	90.5	Very high	84.9	Confident	23 Å²	23	86.2 Å²	86.2	16%	0.155	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-52.8	-35.1	-177.7	57.3	0	0	0	0	112.6	I12 H16 Q17 E52 N53	I12-C14 PolarHBondContact O-N 3.26Å; C14-H16 PolarHBondContact O-N 2.92Å; C14-H16 VanDerWaalsContact O-N 3.16Å; C14-Q17 WeakPolarHBondContact O-CB 3.43Å; C14-Q17 PolarHBondContact O-N 3.16Å; C14-E52 HydrophobicContact CB-CB 3.37Å; C14-N53 VanDerWaalsContact O-CB 3.23Å; C14-N53 WeakPolarHBondContact O-CB 2.9Å
15	C	91.5	Very high	85.7	Confident	4 Å²	4	87.1 Å²	87.1	3%	0.027	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-70.3	-9.5	178.1	-51.6	0	0	0	0	113.7	N13 F33 H64 C65	N13-C15 PolarHBondContact O-N 2.94Å; N13-C15 VanDerWaalsContact O-N 3.08Å; N13-C15 WeakPolarHBondContact OD1-CB 3.36Å; N13-C15 PolarHBondContact OD1-N 3.37Å; N13-C15 PolarHBondContact OD1-SG 2.87Å; N13-C15 VanDerWaalsContact OD1-SG 3.33Å; C15-F33 HydrophobicContact CB-CD1 4.25Å; C15-F33 VanDerWaalsContact O-CD1 3.3Å; C15-F33 WeakPolarHBondContact O-CD1 3.31Å; C15-H64 PolarHBondContact SG-O 2.95Å; C15-C65 VanDerWaalsContact CA-SG 3.51Å; C15-C65 HydrophobicContact CB-CB 3.48Å; C15-C65 VanDerWaalsContact CB-CB 3.48Å; C15-C65 WeakPolarHBondContact CB-SG 3.43Å; C15-C65 WeakPolarHBondContact SG-CA 3.5Å; C15-C65 WeakPolarHBondContact SG-CB 3.38Å; C15-C65 CovalentContact SG-SG 2.03Å; C15-C65 PolarHBondContact SG-SG 3.18Å
16	H	91.6	Very high	86.3	Confident	109 Å²	109	85.2 Å²	85.2	51%	0.505	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-104.1	-2.1	172.7	-60.1	175.9	0	0	0	113.8	I12 N13 C14 Q35	I12-H16 HydrophobicContact CG2-CB 4.01Å; N13-H16 WeakPolarHBondContact O-CA 3.4Å; N13-H16 WeakPolarHBondContact O-CB 3.17Å; N13-H16 PolarHBondContact O-N 3Å; C14-H16 PolarHBondContact O-N 2.92Å; C14-H16 VanDerWaalsContact O-N 3.16Å; H16-Q35 PolarHBondContact CD2-NE2 3.14Å
17	Q	92.9	Very high	87.1	Confident	17 Å²	17	86.6 Å²	86.6	8%	0.079	47%	0.47	C	S	.	.	S	Bend	trans	-79.5	147.8	174.1	-59.5	172.1	4.5	0	0	109.8	I12 N13 C14 E52 N53	I12-Q17 HydrophobicContact CG2-CG 4.04Å; I12-Q17 PolarHBondContact O-NE2 3.5Å; N13-Q17 PolarHBondContact O-N 3.37Å; C14-Q17 WeakPolarHBondContact O-CB 3.43Å; C14-Q17 PolarHBondContact O-N 3.16Å; Q17-E52 PolarHBondContact NE2-OE2 3.5Å; Q17-N53 HydrophobicContact CB-CB 4.19Å; Q17-N53 PolarHBondContact O-ND2 2.94Å
18	V	94.7	Very high	87.9	Confident	109 Å²	109	81.5 Å²	81.5	66%	0.661	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-66.8	159.4	175.8	-64.3	0	0	0	0	111.5	V20 N51	V18-V20 HydrophobicContact CG2-CG2 4.12Å; V18-V20 PolarHBondContact O-N 3.06Å; V18-N51 PolarHBondContact O-ND2 3.01Å
19	Q	95.7	Very high	88.9	Confident	64 Å²	64	78.2 Å²	78.2	30%	0.299	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-68.7	129.3	171.6	-178.8	-85.4	-49.4	0	0	110.6	T21 Y32 F43	Q19-T21 PolarHBondContact NE2-OG1 2.96Å; Q19-Y32 HydrophobicContact CB-CD1 4.25Å; Q19-Y32 HydrophobicContact CB-CD2 3.62Å; Q19-Y32 HydrophobicContact CB-CE1 4.34Å; Q19-Y32 HydrophobicContact CB-CE2 3.74Å; Q19-Y32 HydrophobicContact CB-CG 3.88Å; Q19-Y32 HydrophobicContact CG-CD1 3.73Å; Q19-Y32 HydrophobicContact CG-CD2 4.04Å; Q19-Y32 HydrophobicContact CG-CE1 3.9Å; Q19-Y32 HydrophobicContact CG-CE2 4.22Å; Q19-Y32 HydrophobicContact CG-CG 3.78Å; Q19-F43 HydrophobicContact CG-CB 4.26Å; Q19-F43 HydrophobicContact CG-CD1 4.2Å; Q19-F43 HydrophobicContact CG-CD2 3.99Å; Q19-F43 HydrophobicContact CG-CE1 4.49Å; Q19-F43 HydrophobicContact CG-CE2 4.28Å; Q19-F43 HydrophobicContact CG-CG 3.89Å; Q19-F43 VanDerWaalsContact NE2-CE2 3.28Å
20	V	96.3	Very high	90.4	Very high	43 Å²	43	73 Å²	73	26%	0.261	40%	0.401	S	S	.	.			trans	-123.1	110.8	177.5	179.9	0	0	0	0	111.1	V18 G22 F43 K49 N51	V18-V20 HydrophobicContact CG2-CG2 4.12Å; V18-V20 PolarHBondContact O-N 3.06Å; V20-G22 PolarHBondContact O-N 3.01Å; V20-F43 WeakPolarHBondContact O-CE2 2.98Å; V20-K49 VanDerWaalsContact CG1-O 3.31Å; V20-K49 WeakPolarHBondContact CG1-O 3.29Å; V20-N51 HydrophobicContact CG2-CB 4.42Å; V20-N51 VanDerWaalsContact CG2-ND2 3.34Å; V20-N51 WeakPolarHBondContact CG2-ND2 3.43Å
21	T	96.9	Very high	91.9	Very high	63 Å²	63	72.9 Å²	72.9	39%	0.387	38%	0.383	S	S	.	.			trans	-63.7	-27.9	177.9	-63.7	0	0	0	0	112.1	Q19 Y45 R46	Q19-T21 PolarHBondContact NE2-OG1 2.96Å; T21-Y45 VanDerWaalsContact O-CD2 3.28Å; T21-Y45 WeakPolarHBondContact O-CD2 2.96Å; T21-R46 HydrophobicContact CG2-CG 3.84Å; T21-R46 WeakPolarHBondContact O-CB 3.43Å; T21-R46 PolarHBondContact O-N 2.82Å
22	G	94.3	Very high	93.1	Very high	17 Å²	17	65 Å²	65	18%	0.175	35%	0.345	C	S	.	.			trans	72.7	-161.8	-179.4	0	0	0	0	0	113.4	V20 L48	V20-G22 PolarHBondContact O-N 3.01Å; G22-L48 CarbonylContact C-O 3.46Å; G22-L48 WeakPolarHBondContact CA-O 3.25Å
23	I	94	Very high	93.9	Very high	79 Å²	79	60.8 Å²	60.8	41%	0.405	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-127.7	170.5	179.1	68.2	172.4	0	0	0	110.5	R46 L48 K49	I23-R46 CarbonylContact O-C 3.52Å; I23-R46 VanDerWaalsContact O-CB 3.26Å; I23-R46 WeakPolarHBondContact O-CB 3.26Å; I23-L48 HydrophobicContact CG1-CB 3.87Å; I23-L48 PolarHBondContact N-O 3.05Å; I23-L48 WeakPolarHBondContact O-CB 3.31Å; I23-L48 PolarHBondContact O-N 3.47Å; I23-K49 HydrophobicContact CD1-CD 3.71Å; I23-K49 HydrophobicContact CD1-CG 4.04Å; I23-K49 HydrophobicContact CG1-CB 4.24Å; I23-K49 HydrophobicContact CG1-CD 4.17Å; I23-K49 HydrophobicContact CG1-CG 4.06Å
24	G	92.8	Very high	94.2	Very high	19 Å²	19	57.7 Å²	57.7	20%	0.196	31%	0.307	C	S	.	.	S	Bend	trans	113.8	-176.8	-179.5	0	0	0	0	0	112.8	R46	G24-R46 CarbonylContact C-O 3.47Å; G24-R46 WeakPolarHBondContact CA-O 3Å; G24-R46 PolarHBondContact O-NE 3.34Å; G24-R46 PolarHBondContact O-NH2 3.29Å
25	N	93.3	Very high	94.1	Very high	162 Å²	162	60.9 Å²	60.9	87%	0.866	32%	0.319	S	S	*	.	S	Bend	trans	-111.1	6	-176.1	-63.3	-15.2	0	0	0	112.4
26	E	91.9	Very high	93.8	Very high	99 Å²	99	66.3 Å²	66.3	46%	0.463	35%	0.352	S	S	.	.			trans	-78.6	155.3	173.9	-157.5	178.6	153.4	0	0	109.9	S28 R46	E26-S28 WeakPolarHBondContact CG-OG 3.29Å; E26-S28 PolarHBondContact OE1-OG 3.48Å; E26-R46 WeakPolarHBondContact CB-O 3.33Å; E26-R46 PolarHBondContact N-O 3.35Å; E26-R46 VanDerWaalsContact O-CA 3.28Å; E26-R46 WeakPolarHBondContact O-CA 3.49Å
27	L	94.5	Very high	93.5	Very high	133 Å²	133	64.5 Å²	64.5	70%	0.696	35%	0.346	S	S	*	.			trans	-132.9	88.7	169.2	-75.3	172.6	0	0	0	107.8	F44	L27-F44 HydrophobicContact CD2-CB 4.15Å
28	S	94.4	Very high	93	Very high	18 Å²	18	67.3 Å²	67.3	13%	0.126	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.1	178.9	-22.6	0	0	0	0	109.3	E26 R30 F44 Y45	E26-S28 WeakPolarHBondContact CG-OG 3.29Å; E26-S28 PolarHBondContact OE1-OG 3.48Å; S28-R30 PolarHBondContact O-N 2.93Å; S28-F44 WeakPolarHBondContact O-CA 2.97Å; S28-Y45 PolarHBondContact N-O 2.81Å; S28-Y45 PolarHBondContact O-N 2.78Å
29	L	97.2	Very high	92.6	Very high	94 Å²	94	62.1 Å²	62.1	49%	0.492	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.2	169.5	-174.8	70.4	0	0	0	108.8	F42 F44	L29-F42 HydrophobicContact CD1-CB 3.8Å; L29-F42 HydrophobicContact CD1-CD2 3.6Å; L29-F42 HydrophobicContact CD1-CG 3.97Å; L29-F44 HydrophobicContact CD1-CE1 4.22Å; L29-F44 HydrophobicContact CD1-CZ 4.42Å
30	R	96.8	Very high	92.4	Very high	32 Å²	32	59.1 Å²	59.1	12%	0.121	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.8	-179.9	-66.8	-62.3	-168.4	129	-4.5	110.2	S28 F42 F43 Y45 N54 F55	S28-R30 PolarHBondContact O-N 2.93Å; R30-F42 CarbonylContact O-C 3.6Å; R30-F42 WeakPolarHBondContact O-CA 2.75Å; R30-F43 HydrophobicContact CB-CD1 3.95Å; R30-F43 HydrophobicContact CB-CE1 3.51Å; R30-F43 HydrophobicContact CB-CZ 3.94Å; R30-F43 PolarHBondContact N-O 3.19Å; R30-F43 PolarHBondContact O-N 2.85Å; R30-Y45 HydrophobicContact CG-CG 4.46Å; R30-N54 WeakPolarHBondContact CB-OD1 3.18Å; R30-N54 WeakPolarHBondContact CD-OD1 3.49Å; R30-N54 WeakPolarHBondContact CG-OD1 3.46Å; R30-N54 PolarHBondContact NH1-OD1 2.82Å; R30-F55 CarbonylContact C-O 3.42Å; R30-F55 WeakPolarHBondContact CA-O 3.4Å; R30-F55 WeakPolarHBondContact CD-O 2.96Å
31	W	97	Very high	92.3	Very high	53 Å²	53	61.9 Å²	61.9	20%	0.201	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.3	177.4	-65.4	80	0	0	0	110.5	C40 R41 F42 N54 F55 S57 K58 C61	W31-C40 HydrophobicContact CE3-CB 4.27Å; W31-C40 WeakPolarHBondContact CZ3-O 3.17Å; W31-R41 CarbonylContact C-O 3.19Å; W31-R41 VanDerWaalsContact CA-O 3.26Å; W31-R41 WeakPolarHBondContact CA-O 3.11Å; W31-F42 HydrophobicContact CD2-CB 4.26Å; W31-F42 HydrophobicContact CE3-CB 4.34Å; W31-F42 HydrophobicContact CH2-CB 4.42Å; W31-F42 HydrophobicContact CZ2-CB 4.33Å; W31-F42 HydrophobicContact CZ3-CB 4.42Å; W31-N54 CarbonylContact O-C 3.5Å; W31-N54 WeakPolarHBondContact O-CA 3.33Å; W31-F55 HydrophobicContact CB-CB 4.3Å; W31-F55 PolarHBondContact N-O 3Å; W31-F55 WeakPolarHBondContact O-CD2 3.5Å; W31-F55 PolarHBondContact O-N 2.96Å; W31-S57 VanDerWaalsContact CD1-CA 3.47Å; W31-S57 VanDerWaalsContact CG-C 3.49Å; W31-K58 HydrophobicContact CD2-CB 3.72Å; W31-K58 HydrophobicContact CD2-CG 4.4Å; W31-K58 HydrophobicContact CE3-CB 3.69Å; W31-K58 HydrophobicContact CE3-CD 4.34Å; W31-K58 HydrophobicContact CE3-CG 3.86Å; W31-K58 HydrophobicContact CG-CB 4.44Å; W31-K58 HydrophobicContact CH2-CB 3.82Å; W31-K58 HydrophobicContact CH2-CD 3.86Å; W31-K58 HydrophobicContact CH2-CG 4.13Å; W31-K58 HydrophobicContact CZ2-CB 3.83Å; W31-K58 HydrophobicContact CZ3-CB 3.75Å; W31-K58 HydrophobicContact CZ3-CD 3.67Å; W31-K58 HydrophobicContact CZ3-CG 3.72Å; W31-C61 HydrophobicContact CB-CB 3.96Å
32	Y	96	Very high	92.3	Very high	41 Å²	41	64.9 Å²	64.9	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.7	173.1	78.6	-80.4	0	0	0	109.2	Q19 D34 C40 R41 F43 N53 C61	Q19-Y32 HydrophobicContact CB-CD1 4.25Å; Q19-Y32 HydrophobicContact CB-CD2 3.62Å; Q19-Y32 HydrophobicContact CB-CE1 4.34Å; Q19-Y32 HydrophobicContact CB-CE2 3.74Å; Q19-Y32 HydrophobicContact CB-CG 3.88Å; Q19-Y32 HydrophobicContact CG-CD1 3.73Å; Q19-Y32 HydrophobicContact CG-CD2 4.04Å; Q19-Y32 HydrophobicContact CG-CE1 3.9Å; Q19-Y32 HydrophobicContact CG-CE2 4.22Å; Q19-Y32 HydrophobicContact CG-CG 3.78Å; Y32-D34 HydrophobicContact CE2-CB 3.9Å; Y32-C40 CarbonylContact O-C 3.44Å; Y32-C40 VanDerWaalsContact O-CA 3.32Å; Y32-C40 WeakPolarHBondContact O-CA 3.34Å; Y32-R41 HydrophobicContact CD1-CB 4.23Å; Y32-R41 VanDerWaalsContact CD1-O 3.27Å; Y32-R41 WeakPolarHBondContact CD1-O 3.45Å; Y32-R41 HydrophobicContact CE1-CB 3.65Å; Y32-R41 PolarHBondContact N-O 2.86Å; Y32-R41 PolarHBondContact O-N 2.75Å; Y32-F43 HydrophobicContact CD1-CB 4.19Å; Y32-F43 AromaticContact CD1-CD1 3.64Å; Y32-F43 HydrophobicContact CD1-CD1 3.64Å; Y32-F43 HydrophobicContact CD1-CE1 4.35Å; Y32-F43 HydrophobicContact CD1-CG 4.19Å; Y32-F43 HydrophobicContact CE1-CB 4.29Å; Y32-F43 HydrophobicContact CG-CD1 4.29Å; Y32-N53 WeakPolarHBondContact CA-OD1 2.94Å; Y32-N53 WeakPolarHBondContact CB-O 3.36Å; Y32-C61 VanDerWaalsContact C-SG 3.51Å
33	F	93.8	Very high	92.4	Very high	14 Å²	14	64.8 Å²	64.8	6%	0.061	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.8	173.2	-172.6	-102.3	0	0	0	110.1	C15 Q35 H38 N53 C65 F66	C15-F33 HydrophobicContact CB-CD1 4.25Å; C15-F33 VanDerWaalsContact O-CD1 3.3Å; C15-F33 WeakPolarHBondContact O-CD1 3.31Å; F33-Q35 HydrophobicContact CD1-CG 4.24Å; F33-Q35 HydrophobicContact CE1-CG 4.41Å; F33-H38 HydrophobicContact CZ-CB 4.11Å; F33-H38 AromaticContact CZ-ND1 3.84Å; F33-N53 PolarHBondContact N-OD1 2.84Å; F33-N53 PolarHBondContact O-ND2 3.37Å; F33-C65 HydrophobicContact CB-CB 3.58Å; F33-C65 HydrophobicContact CD1-CB 4.18Å; F33-C65 HydrophobicContact CD2-CB 3.4Å; F33-C65 HydrophobicContact CE2-CB 4.06Å; F33-C65 HydrophobicContact CG-CB 3.45Å; F33-C65 VanDerWaalsContact CG-CB 3.45Å; F33-F66 HydrophobicContact CE2-CD1 4.05Å; F33-F66 HydrophobicContact CE2-CD2 4.43Å; F33-F66 AromaticContact CE2-CE1 3.89Å; F33-F66 HydrophobicContact CE2-CE1 3.89Å; F33-F66 HydrophobicContact CE2-CE2 4.24Å; F33-F66 HydrophobicContact CE2-CG 4.36Å; F33-F66 HydrophobicContact CE2-CZ 4.02Å
34	D	92.5	Very high	92.6	Very high	19 Å²	19	66.4 Å²	66.4	10%	0.102	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.4	170.9	-170.6	-26.5	0	0	0	108.8	Y32 T36 H38 T39 R41	Y32-D34 HydrophobicContact CE2-CB 3.9Å; D34-T36 PolarHBondContact O-N 2.57Å; D34-T36 WeakPolarHBondContact OD1-CB 3.45Å; D34-T36 PolarHBondContact OD1-N 2.81Å; D34-T36 PolarHBondContact OD1-OG1 3.37Å; D34-T36 VanDerWaalsContact OD1-OG1 3.1Å; D34-H38 WeakPolarHBondContact O-CA 3.31Å; D34-H38 PolarHBondContact O-N 2.83Å; D34-T39 WeakPolarHBondContact CB-O 3.2Å; D34-T39 PolarHBondContact N-O 3.26Å; D34-T39 PolarHBondContact O-N 2.03Å; D34-T39 VanDerWaalsContact O-N 3.16Å; D34-R41 HydrophobicContact CB-CG 4.31Å; D34-R41 WeakPolarHBondContact OD2-CD 3.42Å; D34-R41 IonicContact OD2-CZ 3.26Å; D34-R41 IonicContact OD2-NE 2.86Å; D34-R41 IonicContact OD2-NH1 3.38Å; D34-R41 PolarHBondContact OD2-NH1 2.84Å
35	Q	87.2	Confident	92.8	Very high	90 Å²	90	67 Å²	67	42%	0.421	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	-179.9	-60.7	-164.1	-61.5	0	0	113.4	H16 F33 H38	H16-Q35 PolarHBondContact CD2-NE2 3.14Å; F33-Q35 HydrophobicContact CD1-CG 4.24Å; F33-Q35 HydrophobicContact CE1-CG 4.41Å; Q35-H38 PolarHBondContact O-CE1 3.4Å
36	T	87.2	Confident	92.9	Very high	118 Å²	118	64.2 Å²	64.2	72%	0.724	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-49.8	-176.5	-44.7	0	0	0	0	109.9	D34	D34-T36 PolarHBondContact O-N 2.57Å; D34-T36 WeakPolarHBondContact OD1-CB 3.45Å; D34-T36 PolarHBondContact OD1-N 2.81Å; D34-T36 PolarHBondContact OD1-OG1 3.37Å; D34-T36 VanDerWaalsContact OD1-OG1 3.1Å
37	D	83.4	Confident	92.8	Very high	71 Å²	71	59.7 Å²	59.7	38%	0.38	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.4	-177.4	-68.2	-48.5	0	0	0	112.3	T39 R41	D37-T39 VanDerWaalsContact C-N 3.32Å; D37-T39 HydrophobicContact CB-CG2 4.37Å; D37-T39 WeakPolarHBondContact O-CG2 3.49Å; D37-T39 PolarHBondContact O-N 2.63Å; D37-R41 IonicContact OD2-CZ 3.52Å; D37-R41 IonicContact OD2-NH1 3.78Å; D37-R41 PolarHBondContact OD2-NH1 2.75Å; D37-R41 IonicContact OD2-NH2 2.74Å; D37-R41 PolarHBondContact OD2-NH2 3.44Å
38	H	82.9	Confident	92.7	Very high	75 Å²	75	57 Å²	57	35%	0.347	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	52.7	-170.2	-66.1	-68.9	0	0	0	111	F33 D34 Q35 F66 Y125	F33-H38 HydrophobicContact CZ-CB 4.11Å; F33-H38 AromaticContact CZ-ND1 3.84Å; D34-H38 WeakPolarHBondContact O-CA 3.31Å; D34-H38 PolarHBondContact O-N 2.83Å; Q35-H38 PolarHBondContact O-CE1 3.4Å; H38-F66 WeakPolarHBondContact O-CE1 3.25Å; H38-F66 WeakPolarHBondContact O-CZ 3.29Å; H38-Y125 HydrophobicContact CB-CD1 3.64Å; H38-Y125 HydrophobicContact CB-CE1 4.44Å; H38-Y125 HydrophobicContact CB-CG 4.12Å; H38-Y125 AromaticContact CD2-CD1 3.53Å; H38-Y125 AromaticContact CD2-CE1 3.48Å; H38-Y125 VanDerWaalsContact CD2-CE1 3.48Å; H38-Y125 WeakPolarHBondContact CD2-CE1 3.33Å; H38-Y125 AromaticContact CG-CD1 3.69Å; H38-Y125 AromaticContact NE2-CE1 3.95Å
39	T	86	Confident	92.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.2	-175.9	57.3	0	0	0	0	111.9	D34 D37 D127	D34-T39 WeakPolarHBondContact CB-O 3.2Å; D34-T39 PolarHBondContact N-O 3.26Å; D34-T39 PolarHBondContact O-N 2.03Å; D34-T39 VanDerWaalsContact O-N 3.16Å; D37-T39 VanDerWaalsContact C-N 3.32Å; D37-T39 HydrophobicContact CB-CG2 4.37Å; D37-T39 WeakPolarHBondContact O-CG2 3.49Å; D37-T39 PolarHBondContact O-N 2.63Å; T39-D127 WeakPolarHBondContact CB-OD1 3.48Å; T39-D127 WeakPolarHBondContact CG2-OD1 3.32Å
40	C	91.6	Very high	92.2	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.5	172.1	-74.4	0	0	0	0	109.2	W31 Y32 K58 C61 E62	W31-C40 HydrophobicContact CE3-CB 4.27Å; W31-C40 WeakPolarHBondContact CZ3-O 3.17Å; Y32-C40 CarbonylContact O-C 3.44Å; Y32-C40 VanDerWaalsContact O-CA 3.32Å; Y32-C40 WeakPolarHBondContact O-CA 3.34Å; C40-K58 HydrophobicContact CB-CG 4.15Å; C40-C61 HydrophobicContact CB-CB 3.78Å; C40-C61 WeakPolarHBondContact CB-SG 3.34Å; C40-C61 WeakPolarHBondContact SG-CB 3.48Å; C40-C61 CovalentContact SG-SG 2.04Å; C40-C61 PolarHBondContact SG-SG 3.4Å; C40-E62 HydrophobicContact CB-CG 3.97Å; C40-E62 PolarHBondContact SG-N 3.48Å
41	R	94.4	Very high	92.1	Very high	100 Å²	100	60.3 Å²	60.3	38%	0.377	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	153.8	-179.1	-69.2	-173.1	163.9	166.6	-4.4	110.8	W31 Y32 D34 D37	W31-R41 CarbonylContact C-O 3.19Å; W31-R41 VanDerWaalsContact CA-O 3.26Å; W31-R41 WeakPolarHBondContact CA-O 3.11Å; Y32-R41 HydrophobicContact CD1-CB 4.23Å; Y32-R41 VanDerWaalsContact CD1-O 3.27Å; Y32-R41 WeakPolarHBondContact CD1-O 3.45Å; Y32-R41 HydrophobicContact CE1-CB 3.65Å; Y32-R41 PolarHBondContact N-O 2.86Å; Y32-R41 PolarHBondContact O-N 2.75Å; D34-R41 HydrophobicContact CB-CG 4.31Å; D34-R41 WeakPolarHBondContact OD2-CD 3.42Å; D34-R41 IonicContact OD2-CZ 3.26Å; D34-R41 IonicContact OD2-NE 2.86Å; D34-R41 IonicContact OD2-NH1 3.38Å; D34-R41 PolarHBondContact OD2-NH1 2.84Å; D37-R41 IonicContact OD2-CZ 3.52Å; D37-R41 IonicContact OD2-NH1 3.78Å; D37-R41 PolarHBondContact OD2-NH1 2.75Å; D37-R41 IonicContact OD2-NH2 2.74Å; D37-R41 PolarHBondContact OD2-NH2 3.44Å
42	F	96.7	Very high	91.9	Very high	127 Å²	127	60.8 Å²	60.8	56%	0.557	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	153	176.6	72.9	-93.8	0	0	0	111.7	L29 R30 W31	L29-F42 HydrophobicContact CD1-CB 3.8Å; L29-F42 HydrophobicContact CD1-CD2 3.6Å; L29-F42 HydrophobicContact CD1-CG 3.97Å; R30-F42 CarbonylContact O-C 3.6Å; R30-F42 WeakPolarHBondContact O-CA 2.75Å; W31-F42 HydrophobicContact CD2-CB 4.26Å; W31-F42 HydrophobicContact CE3-CB 4.34Å; W31-F42 HydrophobicContact CH2-CB 4.42Å; W31-F42 HydrophobicContact CZ2-CB 4.33Å; W31-F42 HydrophobicContact CZ3-CB 4.42Å
43	F	97.5	Very high	91.8	Very high	15 Å²	15	58.9 Å²	58.9	7%	0.066	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	166.5	170.1	77.5	-73.4	0	0	0	110.3	Q19 V20 R30 Y32 Y45 N54	Q19-F43 HydrophobicContact CG-CB 4.26Å; Q19-F43 HydrophobicContact CG-CD1 4.2Å; Q19-F43 HydrophobicContact CG-CD2 3.99Å; Q19-F43 HydrophobicContact CG-CE1 4.49Å; Q19-F43 HydrophobicContact CG-CE2 4.28Å; Q19-F43 HydrophobicContact CG-CG 3.89Å; Q19-F43 VanDerWaalsContact NE2-CE2 3.28Å; V20-F43 WeakPolarHBondContact O-CE2 2.98Å; R30-F43 HydrophobicContact CB-CD1 3.95Å; R30-F43 HydrophobicContact CB-CE1 3.51Å; R30-F43 HydrophobicContact CB-CZ 3.94Å; R30-F43 PolarHBondContact N-O 3.19Å; R30-F43 PolarHBondContact O-N 2.85Å; Y32-F43 HydrophobicContact CD1-CB 4.19Å; Y32-F43 AromaticContact CD1-CD1 3.64Å; Y32-F43 HydrophobicContact CD1-CD1 3.64Å; Y32-F43 HydrophobicContact CD1-CE1 4.35Å; Y32-F43 HydrophobicContact CD1-CG 4.19Å; Y32-F43 HydrophobicContact CE1-CB 4.29Å; Y32-F43 HydrophobicContact CG-CD1 4.29Å; F43-Y45 HydrophobicContact CE2-CD2 4.43Å; F43-N54 HydrophobicContact CE1-CB 4.5Å; F43-N54 HydrophobicContact CZ-CB 4.15Å
44	F	97.4	Very high	91.9	Very high	113 Å²	113	59.4 Å²	59.4	50%	0.496	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.8	173.7	-70.4	-73.3	0	0	0	110.5	L27 S28 L29	L27-F44 HydrophobicContact CD2-CB 4.15Å; S28-F44 WeakPolarHBondContact O-CA 2.97Å; L29-F44 HydrophobicContact CD1-CE1 4.22Å; L29-F44 HydrophobicContact CD1-CZ 4.42Å
45	Y	96.3	Very high	92	Very high	32 Å²	32	58.9 Å²	58.9	13%	0.125	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.7	174.8	176.7	-125.4	0	0	0	110.9	T21 S28 R30 F43 G47 L48 K49 G50 N54	T21-Y45 VanDerWaalsContact O-CD2 3.28Å; T21-Y45 WeakPolarHBondContact O-CD2 2.96Å; S28-Y45 PolarHBondContact N-O 2.81Å; S28-Y45 PolarHBondContact O-N 2.78Å; R30-Y45 HydrophobicContact CG-CG 4.46Å; F43-Y45 HydrophobicContact CE2-CD2 4.43Å; Y45-G47 VanDerWaalsContact C-N 3.32Å; Y45-G47 WeakPolarHBondContact CE1-O 3.08Å; Y45-G47 PolarHBondContact O-N 3.41Å; Y45-G47 PolarHBondContact OH-O 3.03Å; Y45-G47 VanDerWaalsContact OH-O 3.09Å; Y45-L48 WeakPolarHBondContact OH-CA 3.34Å; Y45-L48 PolarHBondContact OH-N 3.35Å; Y45-L48 VanDerWaalsContact OH-N 3.13Å; Y45-K49 PolarHBondContact OH-N 3.11Å; Y45-G50 PolarHBondContact OH-N 3.2Å; Y45-N54 VanDerWaalsContact CG-ND2 3.34Å
46	R	95.6	Very high	92.3	Very high	102 Å²	102	61 Å²	61	39%	0.385	29%	0.289	S	S	.	.			trans	-84.7	-0.7	-176	-68.5	-174.1	67.5	-174.9	5.6	115.6	T21 I23 G24 E26	T21-R46 HydrophobicContact CG2-CG 3.84Å; T21-R46 WeakPolarHBondContact O-CB 3.43Å; T21-R46 PolarHBondContact O-N 2.82Å; I23-R46 CarbonylContact O-C 3.52Å; I23-R46 VanDerWaalsContact O-CB 3.26Å; I23-R46 WeakPolarHBondContact O-CB 3.26Å; G24-R46 CarbonylContact C-O 3.47Å; G24-R46 WeakPolarHBondContact CA-O 3Å; G24-R46 PolarHBondContact O-NE 3.34Å; G24-R46 PolarHBondContact O-NH2 3.29Å; E26-R46 WeakPolarHBondContact CB-O 3.33Å; E26-R46 PolarHBondContact N-O 3.35Å; E26-R46 VanDerWaalsContact O-CA 3.28Å; E26-R46 WeakPolarHBondContact O-CA 3.49Å
47	G	91	Very high	92.6	Very high	4 Å²	4	57.1 Å²	57.1	4%	0.041	27%	0.267	C	S	.	.	S	Bend	trans	101.6	-24	173.5	0	0	0	0	0	114.8	T2 Y45	T2-G47 PolarHBondContact OG1-O 3.41Å; Y45-G47 VanDerWaalsContact C-N 3.32Å; Y45-G47 WeakPolarHBondContact CE1-O 3.08Å; Y45-G47 PolarHBondContact O-N 3.41Å; Y45-G47 PolarHBondContact OH-O 3.03Å; Y45-G47 VanDerWaalsContact OH-O 3.09Å
48	L	91.9	Very high	92.9	Very high	76 Å²	76	56.3 Å²	56.3	40%	0.398	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-133.9	154.4	-179	-61.2	169.3	0	0	0	112.9	T2 G22 I23 Y45 G50	T2-L48 HydrophobicContact CG2-CD2 3.97Å; G22-L48 CarbonylContact C-O 3.46Å; G22-L48 WeakPolarHBondContact CA-O 3.25Å; I23-L48 HydrophobicContact CG1-CB 3.87Å; I23-L48 PolarHBondContact N-O 3.05Å; I23-L48 WeakPolarHBondContact O-CB 3.31Å; I23-L48 PolarHBondContact O-N 3.47Å; Y45-L48 WeakPolarHBondContact OH-CA 3.34Å; Y45-L48 PolarHBondContact OH-N 3.35Å; Y45-L48 VanDerWaalsContact OH-N 3.13Å; L48-G50 VanDerWaalsContact C-N 3.29Å; L48-G50 PolarHBondContact O-N 3.32Å
49	K	90.4	Very high	92.9	Very high	163 Å²	163	58.6 Å²	58.6	71%	0.709	27%	0.271	S	S	*	.	S	Bend	trans	53.6	39.1	174.8	-57.3	-165.3	177.8	-172.1	0	114.5	V20 I23 Y45	V20-K49 VanDerWaalsContact CG1-O 3.31Å; V20-K49 WeakPolarHBondContact CG1-O 3.29Å; I23-K49 HydrophobicContact CD1-CD 3.71Å; I23-K49 HydrophobicContact CD1-CG 4.04Å; I23-K49 HydrophobicContact CG1-CB 4.24Å; I23-K49 HydrophobicContact CG1-CD 4.17Å; I23-K49 HydrophobicContact CG1-CG 4.06Å; Y45-K49 PolarHBondContact OH-N 3.11Å
50	G	91.5	Very high	93	Very high	26 Å²	26	61.9 Å²	61.9	27%	0.268	29%	0.287	S	S	.	.			trans	-79.2	-168.8	162.2	0	0	0	0	0	111.2	Y45 L48	Y45-G50 PolarHBondContact OH-N 3.2Å; L48-G50 VanDerWaalsContact C-N 3.29Å; L48-G50 PolarHBondContact O-N 3.32Å
51	N	93	Very high	93	Very high	26 Å²	26	61.8 Å²	61.8	14%	0.139	29%	0.286	C	S	.	.			trans	-128.2	-170.4	171	65.2	5.8	0	0	0	110.6	V18 V20 N53 N54	V18-N51 PolarHBondContact O-ND2 3.01Å; V20-N51 HydrophobicContact CG2-CB 4.42Å; V20-N51 VanDerWaalsContact CG2-ND2 3.34Å; V20-N51 WeakPolarHBondContact CG2-ND2 3.43Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 2.78Å; N51-N53 PolarHBondContact OD1-N 3.21Å; N51-N54 WeakPolarHBondContact O-CB 3.15Å
52	E	92.7	Very high	92.5	Very high	63 Å²	63	58.5 Å²	58.5	29%	0.294	28%	0.275	S	S	.	.	S	Bend	trans	-77.4	-13.9	-174.9	-62.8	176.2	107.7	0	0	113.3	K8 C14 Q17 N54	K8-E52 WeakPolarHBondContact CD-OE1 3.18Å; K8-E52 WeakPolarHBondContact CE-OE1 3.36Å; K8-E52 WeakPolarHBondContact CG-OE1 3.45Å; K8-E52 IonicContact NZ-OE1 3.57Å; C14-E52 HydrophobicContact CB-CB 3.37Å; Q17-E52 PolarHBondContact NE2-OE2 3.5Å; E52-N54 PolarHBondContact O-N 3.49Å
53	N	94.9	Very high	91.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	27%	0.274	C	S	.	.	S	Bend	trans	-77.1	55.5	171.1	-159	1.2	0	0	0	111.2	C14 Q17 Y32 F33 N51 F55	C14-N53 VanDerWaalsContact O-CB 3.23Å; C14-N53 WeakPolarHBondContact O-CB 2.9Å; Q17-N53 HydrophobicContact CB-CB 4.19Å; Q17-N53 PolarHBondContact O-ND2 2.94Å; Y32-N53 WeakPolarHBondContact CA-OD1 2.94Å; Y32-N53 WeakPolarHBondContact CB-O 3.36Å; F33-N53 PolarHBondContact N-OD1 2.84Å; F33-N53 PolarHBondContact O-ND2 3.37Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 2.78Å; N51-N53 PolarHBondContact OD1-N 3.21Å; N53-F55 WeakPolarHBondContact OD1-CE2 3.31Å
54	N	95.1	Very high	91	Very high	25 Å²	25	62 Å²	62	13%	0.134	29%	0.293	C	S	.	.			trans	-150.7	101.2	-173.1	-176.7	-30.2	0	0	0	110.1	R30 W31 F43 Y45 N51 E52	R30-N54 WeakPolarHBondContact CB-OD1 3.18Å; R30-N54 WeakPolarHBondContact CD-OD1 3.49Å; R30-N54 WeakPolarHBondContact CG-OD1 3.46Å; R30-N54 PolarHBondContact NH1-OD1 2.82Å; W31-N54 CarbonylContact O-C 3.5Å; W31-N54 WeakPolarHBondContact O-CA 3.33Å; F43-N54 HydrophobicContact CE1-CB 4.5Å; F43-N54 HydrophobicContact CZ-CB 4.15Å; Y45-N54 VanDerWaalsContact CG-ND2 3.34Å; N51-N54 WeakPolarHBondContact O-CB 3.15Å; E52-N54 PolarHBondContact O-N 3.49Å
55	F	94.9	Very high	90.5	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.035	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-113.7	151.7	-174.4	-52.1	-81.8	0	0	0	110.8	R30 W31 N53 E60 C61 H64 C65	R30-F55 CarbonylContact C-O 3.42Å; R30-F55 WeakPolarHBondContact CA-O 3.4Å; R30-F55 WeakPolarHBondContact CD-O 2.96Å; W31-F55 HydrophobicContact CB-CB 4.3Å; W31-F55 PolarHBondContact N-O 3Å; W31-F55 WeakPolarHBondContact O-CD2 3.5Å; W31-F55 PolarHBondContact O-N 2.96Å; N53-F55 WeakPolarHBondContact OD1-CE2 3.31Å; F55-E60 HydrophobicContact CB-CB 4.17Å; F55-E60 HydrophobicContact CB-CG 4.16Å; F55-E60 HydrophobicContact CD1-CG 3.91Å; F55-E60 HydrophobicContact CG-CG 4.46Å; F55-C61 HydrophobicContact CB-CB 3.82Å; F55-C61 VanDerWaalsContact CD2-CA 3.42Å; F55-C61 HydrophobicContact CD2-CB 3.33Å; F55-C61 HydrophobicContact CE2-CB 4.01Å; F55-C61 VanDerWaalsContact CG-CA 3.41Å; F55-C61 HydrophobicContact CG-CB 3.67Å; F55-H64 HydrophobicContact CD1-CB 4.44Å; F55-H64 HydrophobicContact CE1-CB 3.57Å; F55-H64 AromaticContact CE1-CD2 3.93Å; F55-H64 AromaticContact CE1-CG 3.73Å; F55-H64 HydrophobicContact CZ-CB 3.86Å; F55-C65 WeakPolarHBondContact CZ-SG 3.19Å
56	F	93.7	Very high	89.5	Confident	133 Å²	133	56.7 Å²	56.7	58%	0.583	27%	0.272	S	S	*	.	S	Bend	trans	-74.1	-31.8	179.7	-76.1	-85.7	0	0	0	112.7	E60	F56-E60 WeakPolarHBondContact CB-OE2 3.33Å; F56-E60 PolarHBondContact N-OE2 3.43Å
57	S	93.2	Very high	88.1	Confident	37 Å²	37	53.2 Å²	53.2	26%	0.259	27%	0.268	S	S	.	.	S	Bend	trans	-133.5	163.9	178.7	89.7	0	0	0	0	112.8	W31 E59 E60 C61	W31-S57 VanDerWaalsContact CD1-CA 3.47Å; W31-S57 VanDerWaalsContact CG-C 3.49Å; S57-E59 VanDerWaalsContact C-N 3.29Å; S57-E59 WeakPolarHBondContact CB-OE2 3.02Å; S57-E59 PolarHBondContact O-N 3.23Å; S57-E59 PolarHBondContact OG-N 2.8Å; S57-E59 PolarHBondContact OG-OE2 3.16Å; S57-E60 PolarHBondContact O-N 3.39Å; S57-E60 PolarHBondContact OG-N 2.78Å; S57-E60 VanDerWaalsContact OG-N 3.15Å; S57-C61 PolarHBondContact O-N 2.86Å; S57-C61 VanDerWaalsContact O-N 3.16Å
58	K	90.1	Very high	87	Confident	54 Å²	54	53.6 Å²	53.6	24%	0.235	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-47.8	172.4	-175	171.3	178.7	160.7	0	109.2	W31 C40 E60 C61 E62 D127	W31-K58 HydrophobicContact CD2-CB 3.72Å; W31-K58 HydrophobicContact CD2-CG 4.4Å; W31-K58 HydrophobicContact CE3-CB 3.69Å; W31-K58 HydrophobicContact CE3-CD 4.34Å; W31-K58 HydrophobicContact CE3-CG 3.86Å; W31-K58 HydrophobicContact CG-CB 4.44Å; W31-K58 HydrophobicContact CH2-CB 3.82Å; W31-K58 HydrophobicContact CH2-CD 3.86Å; W31-K58 HydrophobicContact CH2-CG 4.13Å; W31-K58 HydrophobicContact CZ2-CB 3.83Å; W31-K58 HydrophobicContact CZ3-CB 3.75Å; W31-K58 HydrophobicContact CZ3-CD 3.67Å; W31-K58 HydrophobicContact CZ3-CG 3.72Å; C40-K58 HydrophobicContact CB-CG 4.15Å; K58-E60 VanDerWaalsContact C-N 3.31Å; K58-E60 PolarHBondContact O-N 2.69Å; K58-C61 WeakPolarHBondContact O-CB 3.37Å; K58-C61 PolarHBondContact O-N 3.47Å; K58-E62 WeakPolarHBondContact CE-OE1 3.43Å; K58-E62 HydrophobicContact CG-CG 3.99Å; K58-E62 VanDerWaalsContact O-CB 3.31Å; K58-E62 WeakPolarHBondContact O-CB 3.46Å; K58-E62 WeakPolarHBondContact O-CG 3.36Å; K58-E62 PolarHBondContact O-N 3.02Å; K58-D127 IonicContact NZ-OD2 2.99Å; K58-D127 PolarHBondContact NZ-OD2 3.42Å
59	E	83.9	Confident	86	Confident	124 Å²	124	50.5 Å²	50.5	58%	0.579	25%	0.254	S	S	*	.	H	α-helix	trans	-60	-38	-178.1	-60.1	72.2	-157	0	0	112.7	S57 E62 H63	S57-E59 VanDerWaalsContact C-N 3.29Å; S57-E59 WeakPolarHBondContact CB-OE2 3.02Å; S57-E59 PolarHBondContact O-N 3.23Å; S57-E59 PolarHBondContact OG-N 2.8Å; S57-E59 PolarHBondContact OG-OE2 3.16Å; E59-E62 PolarHBondContact O-N 3.12Å; E59-H63 WeakPolarHBondContact O-CB 3.46Å; E59-H63 PolarHBondContact O-N 2.84Å
60	E	88	Confident	85.2	Confident	68 Å²	68	43 Å²	43	32%	0.318	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-49.6	176.6	-174.6	-171.4	-175.5	0	0	111.2	F55 F56 S57 K58 E62 H63 H64	F55-E60 HydrophobicContact CB-CB 4.17Å; F55-E60 HydrophobicContact CB-CG 4.16Å; F55-E60 HydrophobicContact CD1-CG 3.91Å; F55-E60 HydrophobicContact CG-CG 4.46Å; F56-E60 WeakPolarHBondContact CB-OE2 3.33Å; F56-E60 PolarHBondContact N-OE2 3.43Å; S57-E60 PolarHBondContact O-N 3.39Å; S57-E60 PolarHBondContact OG-N 2.78Å; S57-E60 VanDerWaalsContact OG-N 3.15Å; K58-E60 VanDerWaalsContact C-N 3.31Å; K58-E60 PolarHBondContact O-N 2.69Å; E60-E62 PolarHBondContact O-N 2.96Å; E60-H63 PolarHBondContact O-N 2.86Å; E60-H64 PolarHBondContact O-CD2 2.86Å; E60-H64 PolarHBondContact O-N 3.23Å
61	C	91.8	Very high	83.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54	-45.7	172.8	172.1	0	0	0	0	110.5	W31 Y32 C40 F55 S57 K58 H63 H64 C65	W31-C61 HydrophobicContact CB-CB 3.96Å; Y32-C61 VanDerWaalsContact C-SG 3.51Å; C40-C61 HydrophobicContact CB-CB 3.78Å; C40-C61 WeakPolarHBondContact CB-SG 3.34Å; C40-C61 WeakPolarHBondContact SG-CB 3.48Å; C40-C61 CovalentContact SG-SG 2.04Å; C40-C61 PolarHBondContact SG-SG 3.4Å; F55-C61 HydrophobicContact CB-CB 3.82Å; F55-C61 VanDerWaalsContact CD2-CA 3.42Å; F55-C61 HydrophobicContact CD2-CB 3.33Å; F55-C61 HydrophobicContact CE2-CB 4.01Å; F55-C61 VanDerWaalsContact CG-CA 3.41Å; F55-C61 HydrophobicContact CG-CB 3.67Å; S57-C61 PolarHBondContact O-N 2.86Å; S57-C61 VanDerWaalsContact O-N 3.16Å; K58-C61 WeakPolarHBondContact O-CB 3.37Å; K58-C61 PolarHBondContact O-N 3.47Å; C61-H63 PolarHBondContact O-N 3.34Å; C61-H64 PolarHBondContact O-N 3.38Å; C61-C65 VanDerWaalsContact O-CB 3.24Å; C61-C65 WeakPolarHBondContact O-CB 3.48Å; C61-C65 PolarHBondContact O-N 3.17Å
62	E	83.2	Confident	82.1	Confident	31 Å²	31	47.3 Å²	47.3	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-41.3	-177	-73.4	-172.2	149.7	0	0	112.1	C40 K58 E59 E60 H64 F66 K150	C40-E62 HydrophobicContact CB-CG 3.97Å; C40-E62 PolarHBondContact SG-N 3.48Å; K58-E62 WeakPolarHBondContact CE-OE1 3.43Å; K58-E62 HydrophobicContact CG-CG 3.99Å; K58-E62 VanDerWaalsContact O-CB 3.31Å; K58-E62 WeakPolarHBondContact O-CB 3.46Å; K58-E62 WeakPolarHBondContact O-CG 3.36Å; K58-E62 PolarHBondContact O-N 3.02Å; E59-E62 PolarHBondContact O-N 3.12Å; E60-E62 PolarHBondContact O-N 2.96Å; E62-H64 VanDerWaalsContact C-N 3.31Å; E62-H64 PolarHBondContact O-N 3.43Å; E62-F66 HydrophobicContact CB-CD2 3.78Å; E62-F66 HydrophobicContact CB-CE2 4.38Å; E62-F66 HydrophobicContact CG-CD2 3.67Å; E62-F66 HydrophobicContact CG-CE2 3.75Å; E62-F66 WeakPolarHBondContact O-CA 3.31Å; E62-F66 WeakPolarHBondContact O-CB 3.18Å; E62-F66 PolarHBondContact O-N 2.8Å; E62-F66 VanDerWaalsContact O-O 3.12Å; E62-K150 VanDerWaalsContact CG-NZ 3.25Å; E62-K150 IonicContact OE1-NZ 2.74Å; E62-K150 PolarHBondContact OE1-NZ 2.76Å; E62-K150 IonicContact OE2-NZ 3.43Å; E62-K150 PolarHBondContact OE2-NZ 3.46Å
63	H	78.4	Confident	80.2	Confident	115 Å²	115	51.6 Å²	51.6	53%	0.532	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-38.5	177.6	-179.3	-87.4	0	0	0	112.3	E59 E60 C61 R82	E59-H63 WeakPolarHBondContact O-CB 3.46Å; E59-H63 PolarHBondContact O-N 2.84Å; E60-H63 PolarHBondContact O-N 2.86Å; C61-H63 PolarHBondContact O-N 3.34Å; H63-R82 PolarHBondContact CD2-NH1 2.92Å; H63-R82 VanDerWaalsContact CD2-NH1 3.3Å; H63-R82 PolarHBondContact NE2-NH1 3.38Å
64	H	84.3	Confident	78.1	Confident	102 Å²	102	54 Å²	54	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-77.7	-39.1	179.5	-87.5	-81.2	0	0	0	113	C15 F55 E60 C61 E62	C15-H64 PolarHBondContact SG-O 2.95Å; F55-H64 HydrophobicContact CD1-CB 4.44Å; F55-H64 HydrophobicContact CE1-CB 3.57Å; F55-H64 AromaticContact CE1-CD2 3.93Å; F55-H64 AromaticContact CE1-CG 3.73Å; F55-H64 HydrophobicContact CZ-CB 3.86Å; E60-H64 PolarHBondContact O-CD2 2.86Å; E60-H64 PolarHBondContact O-N 3.23Å; C61-H64 PolarHBondContact O-N 3.38Å; E62-H64 VanDerWaalsContact C-N 3.31Å; E62-H64 PolarHBondContact O-N 3.43Å
65	C	87.2	Confident	76.1	Confident	16 Å²	16	56.7 Å²	56.7	11%	0.108	29%	0.294	C	S	.	.	H	α-helix	trans	-111.8	-29.5	-165.3	-61.6	0	0	0	0	115.7	C15 F33 F55 C61 G67	C15-C65 VanDerWaalsContact CA-SG 3.51Å; C15-C65 HydrophobicContact CB-CB 3.48Å; C15-C65 VanDerWaalsContact CB-CB 3.48Å; C15-C65 WeakPolarHBondContact CB-SG 3.43Å; C15-C65 WeakPolarHBondContact SG-CA 3.5Å; C15-C65 WeakPolarHBondContact SG-CB 3.38Å; C15-C65 CovalentContact SG-SG 2.03Å; C15-C65 PolarHBondContact SG-SG 3.18Å; F33-C65 HydrophobicContact CB-CB 3.58Å; F33-C65 HydrophobicContact CD1-CB 4.18Å; F33-C65 HydrophobicContact CD2-CB 3.4Å; F33-C65 HydrophobicContact CE2-CB 4.06Å; F33-C65 HydrophobicContact CG-CB 3.45Å; F33-C65 VanDerWaalsContact CG-CB 3.45Å; F55-C65 WeakPolarHBondContact CZ-SG 3.19Å; C61-C65 VanDerWaalsContact O-CB 3.24Å; C61-C65 WeakPolarHBondContact O-CB 3.48Å; C61-C65 PolarHBondContact O-N 3.17Å; C65-G67 VanDerWaalsContact C-N 3.32Å; C65-G67 PolarHBondContact O-N 2.81Å; C65-G67 VanDerWaalsContact O-N 3.1Å
66	F	73.8	Confident	73.9	Confident	16 Å²	16	58 Å²	58	7%	0.07	30%	0.301	C	S	.	.	S	Bend	trans	-77.2	100.6	155.6	-64.3	-74.1	0	0	0	106	F33 H38 E62 K150	F33-F66 HydrophobicContact CE2-CD1 4.05Å; F33-F66 HydrophobicContact CE2-CD2 4.43Å; F33-F66 AromaticContact CE2-CE1 3.89Å; F33-F66 HydrophobicContact CE2-CE1 3.89Å; F33-F66 HydrophobicContact CE2-CE2 4.24Å; F33-F66 HydrophobicContact CE2-CG 4.36Å; F33-F66 HydrophobicContact CE2-CZ 4.02Å; H38-F66 WeakPolarHBondContact O-CE1 3.25Å; H38-F66 WeakPolarHBondContact O-CZ 3.29Å; E62-F66 HydrophobicContact CB-CD2 3.78Å; E62-F66 HydrophobicContact CB-CE2 4.38Å; E62-F66 HydrophobicContact CG-CD2 3.67Å; E62-F66 HydrophobicContact CG-CE2 3.75Å; E62-F66 WeakPolarHBondContact O-CA 3.31Å; E62-F66 WeakPolarHBondContact O-CB 3.18Å; E62-F66 PolarHBondContact O-N 2.8Å; E62-F66 VanDerWaalsContact O-O 3.12Å; F66-K150 HydrophobicContact CB-CD 3.97Å; F66-K150 HydrophobicContact CD1-CD 4.03Å; F66-K150 HydrophobicContact CD2-CD 3.84Å; F66-K150 VanDerWaalsContact CD2-NZ 3.31Å; F66-K150 HydrophobicContact CE1-CD 4.37Å; F66-K150 HydrophobicContact CE2-CD 4.26Å; F66-K150 HydrophobicContact CG-CD 3.69Å; F66-K150 HydrophobicContact CZ-CD 4.45Å
67	G	67.2	Low	71.6	Confident	30 Å²	30	58.6 Å²	58.6	31%	0.309	32%	0.316	S	S	.	.			trans	-53.3	-177.4	168.9	0	0	0	0	0	111.6	C65	C65-G67 VanDerWaalsContact C-N 3.32Å; C65-G67 PolarHBondContact O-N 2.81Å; C65-G67 VanDerWaalsContact O-N 3.1Å
68	D	67.9	Low	69.6	Low	11 Å²	11	62.4 Å²	62.4	6%	0.059	33%	0.332	C	S	.	.			trans	-34.9	127	179.8	-168.9	-0.1	0	0	0	112.3	C70 H75	D68-C70 CarbonylContact C-O 3.53Å; D68-C70 HydrophobicContact CB-CB 4.49Å; D68-C70 WeakPolarHBondContact CB-O 3.39Å; D68-C70 VanDerWaalsContact CG-CB 3.5Å; D68-C70 CarbonylContact O-C 3.58Å; D68-C70 PolarHBondContact O-N 3.36Å; D68-C70 PolarHBondContact OD1-N 3.47Å; D68-C70 VanDerWaalsContact OD1-N 3.08Å; D68-C70 PolarHBondContact OD1-SG 2.78Å; D68-C70 WeakPolarHBondContact OD2-CB 3.4Å; D68-H75 IonicContact OD1-CE1 2.61Å; D68-H75 PolarHBondContact OD1-CE1 3.49Å; D68-H75 IonicContact OD1-ND1 2.76Å; D68-H75 IonicContact OD1-NE2 2.96Å; D68-H75 IonicContact OD2-CD2 3.24Å; D68-H75 PolarHBondContact OD2-CD2 2.02Å; D68-H75 IonicContact OD2-CE1 3.11Å; D68-H75 PolarHBondContact OD2-CE1 3.05Å; D68-H75 IonicContact OD2-CG 3.11Å; D68-H75 IonicContact OD2-ND1 3.76Å; D68-H75 PolarHBondContact OD2-ND1 2.84Å; D68-H75 IonicContact OD2-NE2 3.69Å; D68-H75 PolarHBondContact OD2-NE2 3.42Å
69	P	70.5	Confident	67.5	Low	11 Å²	11	69.1 Å²	69.1	7%	0.071	36%	0.362	C	S	.	.	S	Bend	trans	-50.9	-22.3	169.8	-26.5	32.8	0	0	0	112.3	V107 R151	P69-V107 HydrophobicContact CB-CG2 3.72Å; P69-V107 HydrophobicContact CG-CG2 3.83Å; P69-R151 WeakPolarHBondContact O-CA 3.26Å
70	C	74.5	Confident	66.1	Low	5 Å²	5	72.1 Å²	72.1	3%	0.034	38%	0.376	C	S	.	.	S	Bend	trans	-80.7	139.7	167.9	-36.5	0	0	0	0	111.9	D68 N72 C109	D68-C70 CarbonylContact C-O 3.53Å; D68-C70 HydrophobicContact CB-CB 4.49Å; D68-C70 WeakPolarHBondContact CB-O 3.39Å; D68-C70 VanDerWaalsContact CG-CB 3.5Å; D68-C70 CarbonylContact O-C 3.58Å; D68-C70 PolarHBondContact O-N 3.36Å; D68-C70 PolarHBondContact OD1-N 3.47Å; D68-C70 VanDerWaalsContact OD1-N 3.08Å; D68-C70 PolarHBondContact OD1-SG 2.78Å; D68-C70 WeakPolarHBondContact OD2-CB 3.4Å; C70-N72 PolarHBondContact O-N 3.35Å; C70-C109 VanDerWaalsContact CA-SG 3.57Å; C70-C109 HydrophobicContact CB-CB 3.75Å; C70-C109 WeakPolarHBondContact CB-SG 3.45Å; C70-C109 WeakPolarHBondContact SG-CA 3.49Å; C70-C109 WeakPolarHBondContact SG-CB 3.31Å; C70-C109 CovalentContact SG-SG 2.02Å; C70-C109 PolarHBondContact SG-SG 3.02Å
71	T	62.7	Low	64.7	Low	55 Å²	55	73.4 Å²	73.4	34%	0.337	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.1	-170	57.3	0	0	0	0	115.2	R151 G152 H154	T71-R151 HydrophobicContact CG2-CB 4.17Å; T71-G152 WeakPolarHBondContact CG2-O 3.36Å; T71-H154 WeakPolarHBondContact CB-NE2 3.44Å; T71-H154 VanDerWaalsContact CG2-NE2 3.34Å; T71-H154 WeakPolarHBondContact CG2-NE2 3.41Å; T71-H154 PolarHBondContact N-NE2 2.75Å; T71-H154 PolarHBondContact OG1-CD2 3.03Å; T71-H154 PolarHBondContact OG1-NE2 2.96Å
72	N	57.1	Low	64	Low	89 Å²	89	77.5 Å²	77.5	48%	0.476	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	39.7	-161.3	-68.3	2.7	0	0	0	114.8	C70 S74	C70-N72 PolarHBondContact O-N 3.35Å; N72-S74 WeakPolarHBondContact O-CB 3.17Å; N72-S74 PolarHBondContact O-N 3.16Å; N72-S74 PolarHBondContact O-OG 3Å
73	D	51.1	Low	64.2	Low	152 Å²	152	78.9 Å²	78.9	81%	0.813	42%	0.415	S	S	*	.	S	Bend	trans	50.3	12.5	179.5	-68.6	-32.7	0	0	0	114.9	H75	D73-H75 VanDerWaalsContact C-N 3.27Å; D73-H75 PolarHBondContact O-N 3.11Å; D73-H75 VanDerWaalsContact O-N 3.16Å
74	S	50.8	Low	64.7	Low	51 Å²	51	78.6 Å²	78.6	36%	0.357	41%	0.413	S	S	.	.			trans	-102.4	64.7	-168.8	-64.9	0	0	0	0	107	N72 T110	N72-S74 WeakPolarHBondContact O-CB 3.17Å; N72-S74 PolarHBondContact O-N 3.16Å; N72-S74 PolarHBondContact O-OG 3Å; S74-T110 WeakPolarHBondContact CB-OG1 3.35Å; S74-T110 WeakPolarHBondContact O-CG2 3.03Å; S74-T110 PolarHBondContact O-OG1 3.08Å
75	H	54.5	Low	65	Low	82 Å²	82	74.3 Å²	74.3	38%	0.38	39%	0.394	S	S	.	.			trans	-56.7	152.3	152	-78.8	-59.5	0	0	0	108.7	D68 D73 T77	D68-H75 IonicContact OD1-CE1 2.61Å; D68-H75 PolarHBondContact OD1-CE1 3.49Å; D68-H75 IonicContact OD1-ND1 2.76Å; D68-H75 IonicContact OD1-NE2 2.96Å; D68-H75 IonicContact OD2-CD2 3.24Å; D68-H75 PolarHBondContact OD2-CD2 2.02Å; D68-H75 IonicContact OD2-CE1 3.11Å; D68-H75 PolarHBondContact OD2-CE1 3.05Å; D68-H75 IonicContact OD2-CG 3.11Å; D68-H75 IonicContact OD2-ND1 3.76Å; D68-H75 PolarHBondContact OD2-ND1 2.84Å; D68-H75 IonicContact OD2-NE2 3.69Å; D68-H75 PolarHBondContact OD2-NE2 3.42Å; D73-H75 VanDerWaalsContact C-N 3.27Å; D73-H75 PolarHBondContact O-N 3.11Å; D73-H75 VanDerWaalsContact O-N 3.16Å; H75-T77 PolarHBondContact O-N 2.9Å; H75-T77 VanDerWaalsContact O-N 3.12Å
76	N	47.7	Very low	65.1	Low	35 Å²	35	78.9 Å²	78.9	19%	0.187	42%	0.421	C	S	.	.			trans	-45.3	125	156.1	-153.9	-13.4	0	0	0	106.7	I78 F95	N76-I78 CarbonylContact O-C 3.48Å; N76-I78 PolarHBondContact O-N 2.03Å; N76-F95 HydrophobicContact CB-CE1 3.66Å; N76-F95 HydrophobicContact CB-CZ 3.68Å; N76-F95 WeakPolarHBondContact OD1-CZ 3.22Å
77	T	46.3	Very low	65.7	Low	147 Å²	147	80.1 Å²	80.1	90%	0.902	43%	0.432	S	S	*	.	S	Bend	trans	-62.2	16.9	173.7	29.5	0	0	0	0	113.1	H75 K79	H75-T77 PolarHBondContact O-N 2.9Å; H75-T77 VanDerWaalsContact O-N 3.12Å; T77-K79 PolarHBondContact O-N 3.24Å
78	I	51.2	Low	66.5	Low	116 Å²	116	81.4 Å²	81.4	60%	0.595	43%	0.432	S	S	*	.	S	Bend	trans	-89.6	89.2	161	-47.8	176	0	0	0	105.6	N76 E80	N76-I78 CarbonylContact O-C 3.48Å; N76-I78 PolarHBondContact O-N 2.03Å; I78-E80 PolarHBondContact O-N 3.11Å; I78-E80 VanDerWaalsContact O-N 3.12Å
79	K	45.9	Very low	67.4	Low	195 Å²	195	92 Å²	92	85%	0.848	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.6	121.5	167.8	-74.5	177.2	173.4	-179.9	0	108.8	T77	T77-K79 PolarHBondContact O-N 3.24Å
80	E	53.4	Low	68.4	Low	188 Å²	188	95.1 Å²	95.1	88%	0.879	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	10.4	162	-62.7	-179.2	148.2	0	0	122	I78	I78-E80 PolarHBondContact O-N 3.11Å; I78-E80 VanDerWaalsContact O-N 3.12Å
81	S	60.3	Low	69	Low	95 Å²	95	95.8 Å²	95.8	66%	0.664	49%	0.492	S	S	*	.			trans	-145.9	107.4	169.3	-67.2	0	0	0	0	115.3	I83	S81-I83 PolarHBondContact O-N 2.04Å; S81-I83 VanDerWaalsContact O-N 3.1Å
82	R	76.9	Confident	70.3	Confident	86 Å²	86	95.6 Å²	95.6	33%	0.325	49%	0.492	S	S	.	.			trans	-62.3	105.6	165.1	-72.1	-179.6	-178.3	147.2	-3.2	108.9	H63 K84 V107	H63-R82 PolarHBondContact CD2-NH1 2.92Å; H63-R82 VanDerWaalsContact CD2-NH1 3.3Å; H63-R82 PolarHBondContact NE2-NH1 3.38Å; R82-K84 PolarHBondContact O-N 3.26Å; R82-V107 HydrophobicContact CB-CG1 4.04Å
83	I	86.8	Confident	71.5	Confident	60 Å²	60	96.8 Å²	96.8	31%	0.308	51%	0.507	S	S	.	.			trans	-71.1	124.5	177.7	-58.2	173	0	0	0	108.7	S81 P92 V107 C108	S81-I83 PolarHBondContact O-N 2.04Å; S81-I83 VanDerWaalsContact O-N 3.1Å; I83-P92 HydrophobicContact CD1-CG 3.74Å; I83-V107 CarbonylContact O-C 3.57Å; I83-V107 WeakPolarHBondContact O-CA 2.98Å; I83-V107 WeakPolarHBondContact O-CB 3.2Å; I83-C108 HydrophobicContact CB-CB 4.07Å; I83-C108 HydrophobicContact CG2-CB 4.34Å; I83-C108 PolarHBondContact O-N 3.24Å
84	K	89.6	Confident	72.8	Confident	108 Å²	108	97.6 Å²	97.6	47%	0.47	51%	0.506	S	S	.	.	B	Isolated β-bridge	trans	-78.7	149	174.4	-63.1	-66.6	173.2	-166.7	0	110.7	R82 P103 S104 T106 V107	R82-K84 PolarHBondContact O-N 3.26Å; K84-P103 WeakPolarHBondContact CD-O 2.99Å; K84-P103 WeakPolarHBondContact CE-O 3.44Å; K84-P103 PolarHBondContact NZ-O 2.8Å; K84-S104 PolarHBondContact NZ-O 3.47Å; K84-T106 WeakPolarHBondContact CD-O 2.93Å; K84-V107 HydrophobicContact CD-CG1 4.13Å
85	C	90.1	Very high	74.4	Confident	13 Å²	13	96.6 Å²	96.6	9%	0.088	50%	0.495	C	S	.	.			trans	-148.2	166.1	179.9	59.6	0	0	0	0	111.4	D90 C97 T106 C108	C85-D90 HydrophobicContact CB-CB 3.86Å; C85-C97 VanDerWaalsContact C-SG 3.59Å; C85-C97 HydrophobicContact CB-CB 3.77Å; C85-C97 WeakPolarHBondContact CB-SG 3.49Å; C85-C97 WeakPolarHBondContact SG-CA 3.3Å; C85-C97 WeakPolarHBondContact SG-CB 2.9Å; C85-C97 CovalentContact SG-SG 2.03Å; C85-C97 PolarHBondContact SG-SG 3.38Å; C85-T106 WeakPolarHBondContact O-CG2 3.1Å; C85-C108 VanDerWaalsContact CB-SG 3.6Å
86	T	89	Confident	75.7	Confident	111 Å²	111	92.8 Å²	92.8	68%	0.681	48%	0.477	S	S	*	.	S	Bend	trans	-120.7	-24.4	167.3	63.3	0	0	0	0	111.6	D90	T86-D90 WeakPolarHBondContact CA-OD2 3.4Å; T86-D90 PolarHBondContact N-OD2 2.76Å; T86-D90 PolarHBondContact OG1-OD2 3.1Å
87	S	86.4	Confident	77.5	Confident	43 Å²	43	91.6 Å²	91.6	30%	0.301	47%	0.472	S	S	.	.	S	Bend	trans	-148.3	167.9	175.8	74.6	0	0	0	0	111.3	R89 D90 C97	S87-R89 PolarHBondContact O-N 2.74Å; S87-R89 PolarHBondContact OG-N 3.47Å; S87-D90 PolarHBondContact N-OD2 2.77Å; S87-D90 PolarHBondContact O-N 2.61Å; S87-C97 WeakPolarHBondContact O-CB 2.9Å
88	D	83.9	Confident	79.4	Confident	56 Å²	56	84.9 Å²	84.9	30%	0.299	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-55.2	-22.5	175.7	-75.8	-7	0	0	0	113.8	D90 C91 Y96 C97 K116	D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 2.71Å; D88-C91 PolarHBondContact O-N 3.06Å; D88-Y96 WeakPolarHBondContact OD1-CA 2.99Å; D88-Y96 WeakPolarHBondContact OD1-CB 3.34Å; D88-C97 PolarHBondContact OD1-N 2.71Å; D88-K116 IonicContact OD2-NZ 2.63Å; D88-K116 PolarHBondContact OD2-NZ 3.49Å
89	R	87.4	Confident	80.9	Confident	233 Å²	233	81.3 Å²	81.3	88%	0.879	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-72.6	-22.8	-179.5	-59.1	179.8	-175.9	178.7	1.7	113	S87 C91	S87-R89 PolarHBondContact O-N 2.74Å; S87-R89 PolarHBondContact OG-N 3.47Å; R89-C91 PolarHBondContact O-N 2.87Å
90	D	91.2	Very high	82.7	Confident	78 Å²	78	72.2 Å²	72.2	42%	0.417	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-81.6	-7.8	179.2	-50.2	-37.9	0	0	0	111.4	C85 T86 S87 D88	C85-D90 HydrophobicContact CB-CB 3.86Å; T86-D90 WeakPolarHBondContact CA-OD2 3.4Å; T86-D90 PolarHBondContact N-OD2 2.76Å; T86-D90 PolarHBondContact OG1-OD2 3.1Å; S87-D90 PolarHBondContact N-OD2 2.77Å; S87-D90 PolarHBondContact O-N 2.61Å; D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 2.71Å
91	C	87.7	Confident	84.1	Confident	18 Å²	18	64.6 Å²	64.6	12%	0.122	35%	0.345	C	S	.	.	S	Bend	trans	-99.3	146	-175.2	-64.2	0	0	0	0	112.3	D88 R89 F95 Y96 C108	D88-C91 PolarHBondContact O-N 3.06Å; R89-C91 PolarHBondContact O-N 2.87Å; C91-F95 HydrophobicContact CB-CB 3.83Å; C91-Y96 VanDerWaalsContact SG-C 3.58Å; C91-C108 WeakPolarHBondContact CA-SG 3.11Å; C91-C108 HydrophobicContact CB-CB 3.75Å; C91-C108 WeakPolarHBondContact CB-SG 3.31Å; C91-C108 VanDerWaalsContact SG-CA 3.51Å; C91-C108 WeakPolarHBondContact SG-CB 3.2Å; C91-C108 CovalentContact SG-SG 2.04Å; C91-C108 PolarHBondContact SG-SG 2.96Å
92	P	88.2	Confident	85	Confident	52 Å²	52	61.5 Å²	61.5	34%	0.338	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-58.2	162.2	174.1	-21.4	31.9	0	0	0	112.6	I83 Q94 F95	I83-P92 HydrophobicContact CD1-CG 3.74Å; P92-Q94 PolarHBondContact O-N 3.47Å; P92-F95 HydrophobicContact CB-CD2 3.81Å; P92-F95 HydrophobicContact CB-CE2 4.3Å; P92-F95 HydrophobicContact CG-CD2 4.31Å; P92-F95 WeakPolarHBondContact O-CB 3.21Å; P92-F95 PolarHBondContact O-N 2.93Å
93	S	84	Confident	85.3	Confident	113 Å²	113	62.7 Å²	62.7	79%	0.79	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	136.3	173.1	-62.9	0	0	0	0	111.5	F95	S93-F95 VanDerWaalsContact C-N 3.26Å; S93-F95 VanDerWaalsContact O-CD2 3.31Å; S93-F95 WeakPolarHBondContact O-CD2 3.02Å; S93-F95 PolarHBondContact O-N 3.39Å
94	Q	78.6	Confident	84.9	Confident	170 Å²	170	63.2 Å²	63.2	79%	0.794	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	6.6	-173.6	-47.5	-176.5	8.6	0	0	115.9	P92 A111	P92-Q94 PolarHBondContact O-N 3.47Å; Q94-A111 WeakPolarHBondContact O-CB 3.48Å; Q94-A111 PolarHBondContact O-N 3.1Å
95	F	83.4	Confident	84.4	Confident	30 Å²	30	58.2 Å²	58.2	13%	0.132	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	168.8	170.4	-64.7	-104.3	0	0	0	110.5	N76 C91 P92 S93 C108 C109 T110	N76-F95 HydrophobicContact CB-CE1 3.66Å; N76-F95 HydrophobicContact CB-CZ 3.68Å; N76-F95 WeakPolarHBondContact OD1-CZ 3.22Å; C91-F95 HydrophobicContact CB-CB 3.83Å; P92-F95 HydrophobicContact CB-CD2 3.81Å; P92-F95 HydrophobicContact CB-CE2 4.3Å; P92-F95 HydrophobicContact CG-CD2 4.31Å; P92-F95 WeakPolarHBondContact O-CB 3.21Å; P92-F95 PolarHBondContact O-N 2.93Å; S93-F95 VanDerWaalsContact C-N 3.26Å; S93-F95 VanDerWaalsContact O-CD2 3.31Å; S93-F95 WeakPolarHBondContact O-CD2 3.02Å; S93-F95 PolarHBondContact O-N 3.39Å; F95-C108 HydrophobicContact CB-CB 4.3Å; F95-C108 HydrophobicContact CD1-CB 4.5Å; F95-C109 CarbonylContact C-O 3.33Å; F95-C109 WeakPolarHBondContact CA-O 3.35Å; F95-C109 WeakPolarHBondContact CB-O 3.42Å; F95-C109 VanDerWaalsContact CD1-C 3.45Å; F95-C109 WeakPolarHBondContact CD1-O 3.44Å; F95-T110 HydrophobicContact CD1-CG2 4.04Å; F95-T110 HydrophobicContact CE1-CG2 3.37Å; F95-T110 HydrophobicContact CZ-CG2 3.74Å
96	Y	82.5	Confident	84.2	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.2	169.3	74.9	-84.5	0	0	0	108.7	D88 C91 H98 C108 C109 T110 A111 H154 R155	D88-Y96 WeakPolarHBondContact OD1-CA 2.99Å; D88-Y96 WeakPolarHBondContact OD1-CB 3.34Å; C91-Y96 VanDerWaalsContact SG-C 3.58Å; Y96-H98 HydrophobicContact CE2-CB 3.82Å; Y96-H98 PolarHBondContact O-N 2.95Å; Y96-C108 CarbonylContact O-C 3.5Å; Y96-C108 VanDerWaalsContact O-CA 3.31Å; Y96-C108 WeakPolarHBondContact O-CA 3.17Å; Y96-C109 HydrophobicContact CD1-CB 4.2Å; Y96-C109 VanDerWaalsContact CD1-O 3.25Å; Y96-C109 WeakPolarHBondContact CD1-O 2.87Å; Y96-C109 HydrophobicContact CE1-CB 3.35Å; Y96-C109 WeakPolarHBondContact CE1-O 3.32Å; Y96-C109 HydrophobicContact CE2-CB 4.08Å; Y96-C109 PolarHBondContact N-O 2.79Å; Y96-C109 PolarHBondContact O-N 3.49Å; Y96-C109 WeakPolarHBondContact OH-CB 3.06Å; Y96-C109 PolarHBondContact OH-SG 3.16Å; Y96-C109 VanDerWaalsContact OH-SG 3.39Å; Y96-T110 WeakPolarHBondContact CE1-O 3.3Å; Y96-A111 HydrophobicContact CD1-CB 4.21Å; Y96-H154 WeakPolarHBondContact CD2-O 3.5Å; Y96-H154 HydrophobicContact CE1-CB 3.76Å; Y96-H154 HydrophobicContact CE2-CB 3.75Å; Y96-H154 WeakPolarHBondContact CE2-O 3.12Å; Y96-H154 AromaticContact CZ-CG 3.51Å; Y96-H154 AromaticContact CZ-ND1 3.79Å; Y96-H154 WeakPolarHBondContact OH-CB 3.33Å; Y96-H154 PolarHBondContact OH-CD2 2.8Å; Y96-H154 VanDerWaalsContact OH-CD2 3.23Å; Y96-H154 PolarHBondContact OH-CE1 3.29Å; Y96-H154 PolarHBondContact OH-ND1 2.98Å; Y96-H154 PolarHBondContact OH-NE2 2.88Å; Y96-R155 VanDerWaalsContact CB-NE 3.28Å; Y96-R155 HydrophobicContact CD1-CG 4.31Å; Y96-R155 HydrophobicContact CD2-CG 3.88Å; Y96-R155 HydrophobicContact CG-CG 3.83Å
97	C	85.5	Confident	84.1	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	108.4	178	-172.1	0	0	0	0	110.4	C85 S87 D88 I99	C85-C97 VanDerWaalsContact C-SG 3.59Å; C85-C97 HydrophobicContact CB-CB 3.77Å; C85-C97 WeakPolarHBondContact CB-SG 3.49Å; C85-C97 WeakPolarHBondContact SG-CA 3.3Å; C85-C97 WeakPolarHBondContact SG-CB 2.9Å; C85-C97 CovalentContact SG-SG 2.03Å; C85-C97 PolarHBondContact SG-SG 3.38Å; S87-C97 WeakPolarHBondContact O-CB 2.9Å; D88-C97 PolarHBondContact OD1-N 2.71Å; C97-I99 PolarHBondContact O-N 3.09Å
98	H	84.5	Confident	84.1	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	116.8	165.5	175.3	-90.9	0	0	0	108.3	Y96 G100 S105 T106 V107 C109 R151 H154	Y96-H98 HydrophobicContact CE2-CB 3.82Å; Y96-H98 PolarHBondContact O-N 2.95Å; H98-G100 PolarHBondContact O-N 2.8Å; H98-S105 PolarHBondContact ND1-O 3.12Å; H98-T106 CarbonylContact O-C 3.59Å; H98-T106 WeakPolarHBondContact O-CA 3.41Å; H98-T106 WeakPolarHBondContact O-CG2 3.44Å; H98-V107 WeakPolarHBondContact CB-O 3.35Å; H98-V107 PolarHBondContact N-O 2.8Å; H98-V107 PolarHBondContact O-N 3.38Å; H98-C109 HydrophobicContact CB-CB 4.47Å; H98-C109 VanDerWaalsContact CB-SG 3.56Å; H98-R151 PolarHBondContact NE2-O 3.38Å; H98-H154 AromaticContact CD2-CE1 3.74Å; H98-H154 AromaticContact CD2-ND1 3.49Å; H98-H154 PolarHBondContact CD2-ND1 2.84Å
99	I	84.4	Confident	84	Confident	41 Å²	41	49.2 Å²	49.2	21%	0.21	28%	0.275	C	S	.	.			trans	-96	95.2	176.1	-54.3	-172.8	0	0	0	108.9	C97 R132 L159	C97-I99 PolarHBondContact O-N 3.09Å; I99-R132 PolarHBondContact O-NH1 2.74Å; I99-R132 PolarHBondContact O-NH2 2.86Å; I99-L159 HydrophobicContact CD1-CD1 3.83Å; I99-L159 HydrophobicContact CD1-CG 4.15Å; I99-L159 HydrophobicContact CG2-CD1 4.04Å; I99-L159 HydrophobicContact CG2-CD2 4.01Å; I99-L159 HydrophobicContact CG2-CG 4.08Å
100	G	84	Confident	83.6	Confident	4 Å²	4	39.8 Å²	39.8	4%	0.041	24%	0.243	C	C	.	.			trans	-78.3	-165.6	173.7	0	0	0	0	0	112.4	H98 S105 T106 R132 G149	H98-G100 PolarHBondContact O-N 2.8Å; G100-S105 VanDerWaalsContact CA-OG 3.31Å; G100-S105 WeakPolarHBondContact CA-OG 3.4Å; G100-T106 PolarHBondContact N-OG1 3.31Å; G100-R132 PolarHBondContact O-NH2 2.7Å; G100-G149 CarbonylContact C-O 3.57Å; G100-G149 WeakPolarHBondContact CA-O 3.39Å
101	G	81.5	Confident	82.7	Confident	28 Å²	28	37.4 Å²	37.4	29%	0.289	24%	0.235	S	C	.	.	S	Bend	trans	-83	-26.7	-179.7	0	0	0	0	0	115.4	S105 E128 G149	G101-S105 PolarHBondContact N-OG 2.89Å; G101-E128 WeakPolarHBondContact CA-OE2 3.39Å; G101-G149 PolarHBondContact N-O 3.39Å
102	S	79.9	Confident	81.6	Confident	29 Å²	29	40.9 Å²	40.9	20%	0.203	26%	0.255	C	S	.	.	S	Bend	trans	-127.4	161.1	177.5	73	0	0	0	0	111.6	S104 S105 T106	S102-S104 PolarHBondContact O-N 3.46Å; S102-S104 VanDerWaalsContact O-N 3.1Å; S102-S104 PolarHBondContact OG-N 3.08Å; S102-S104 PolarHBondContact OG-OG 2.03Å; S102-S105 PolarHBondContact N-OG 3.1Å; S102-S105 CarbonylContact O-C 3.58Å; S102-S105 PolarHBondContact O-N 3.05Å; S102-S105 PolarHBondContact O-OG 2.9Å; S102-S105 PolarHBondContact OG-N 3.33Å; S102-S105 PolarHBondContact OG-OG 3.47Å; S102-T106 PolarHBondContact O-N 2.78Å; S102-T106 PolarHBondContact O-OG1 3.16Å
103	P	83.1	Confident	80.1	Confident	111 Å²	111	45.7 Å²	45.7	72%	0.721	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.1	171.9	-25.1	34.4	0	0	0	113.3	K84 S105	K84-P103 WeakPolarHBondContact CD-O 2.99Å; K84-P103 WeakPolarHBondContact CE-O 3.44Å; K84-P103 PolarHBondContact NZ-O 2.8Å; P103-S105 VanDerWaalsContact C-N 3.33Å
104	S	77.7	Confident	78.7	Confident	72 Å²	72	42.5 Å²	42.5	50%	0.503	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.6	177.1	64.8	0	0	0	0	112.4	K84 S102	K84-S104 PolarHBondContact NZ-O 3.47Å; S102-S104 PolarHBondContact O-N 3.46Å; S102-S104 VanDerWaalsContact O-N 3.1Å; S102-S104 PolarHBondContact OG-N 3.08Å; S102-S104 PolarHBondContact OG-OG 2.03Å
105	S	79.5	Confident	77.7	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.8	176.2	63.2	0	0	0	0	115.2	H98 G100 G101 S102 P103 G149	H98-S105 PolarHBondContact ND1-O 3.12Å; G100-S105 VanDerWaalsContact CA-OG 3.31Å; G100-S105 WeakPolarHBondContact CA-OG 3.4Å; G101-S105 PolarHBondContact N-OG 2.89Å; S102-S105 PolarHBondContact N-OG 3.1Å; S102-S105 CarbonylContact O-C 3.58Å; S102-S105 PolarHBondContact O-N 3.05Å; S102-S105 PolarHBondContact O-OG 2.9Å; S102-S105 PolarHBondContact OG-N 3.33Å; S102-S105 PolarHBondContact OG-OG 3.47Å; P103-S105 VanDerWaalsContact C-N 3.33Å; S105-G149 PolarHBondContact OG-O 2.94Å
106	T	86.4	Confident	76.9	Confident	19 Å²	19	37.3 Å²	37.3	12%	0.117	25%	0.253	C	S	.	.			trans	-90.8	107.2	175.4	-60.6	0	0	0	0	111.1	K84 C85 H98 G100 S102	K84-T106 WeakPolarHBondContact CD-O 2.93Å; C85-T106 WeakPolarHBondContact O-CG2 3.1Å; H98-T106 CarbonylContact O-C 3.59Å; H98-T106 WeakPolarHBondContact O-CA 3.41Å; H98-T106 WeakPolarHBondContact O-CG2 3.44Å; G100-T106 PolarHBondContact N-OG1 3.31Å; S102-T106 PolarHBondContact O-N 2.78Å; S102-T106 PolarHBondContact O-OG1 3.16Å
107	V	86.2	Confident	76	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	158.1	-170.1	-65.4	0	0	0	0	112.3	P69 R82 I83 K84 H98	P69-V107 HydrophobicContact CB-CG2 3.72Å; P69-V107 HydrophobicContact CG-CG2 3.83Å; R82-V107 HydrophobicContact CB-CG1 4.04Å; I83-V107 CarbonylContact O-C 3.57Å; I83-V107 WeakPolarHBondContact O-CA 2.98Å; I83-V107 WeakPolarHBondContact O-CB 3.2Å; K84-V107 HydrophobicContact CD-CG1 4.13Å; H98-V107 WeakPolarHBondContact CB-O 3.35Å; H98-V107 PolarHBondContact N-O 2.8Å; H98-V107 PolarHBondContact O-N 3.38Å
108	C	87	Confident	75.2	Confident	12 Å²	12	43.2 Å²	43.2	8%	0.081	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.8	171.9	-62.3	0	0	0	0	111	I83 C85 C91 F95 Y96	I83-C108 HydrophobicContact CB-CB 4.07Å; I83-C108 HydrophobicContact CG2-CB 4.34Å; I83-C108 PolarHBondContact O-N 3.24Å; C85-C108 VanDerWaalsContact CB-SG 3.6Å; C91-C108 WeakPolarHBondContact CA-SG 3.11Å; C91-C108 HydrophobicContact CB-CB 3.75Å; C91-C108 WeakPolarHBondContact CB-SG 3.31Å; C91-C108 VanDerWaalsContact SG-CA 3.51Å; C91-C108 WeakPolarHBondContact SG-CB 3.2Å; C91-C108 CovalentContact SG-SG 2.04Å; C91-C108 PolarHBondContact SG-SG 2.96Å; F95-C108 HydrophobicContact CB-CB 4.3Å; F95-C108 HydrophobicContact CD1-CB 4.5Å; Y96-C108 CarbonylContact O-C 3.5Å; Y96-C108 VanDerWaalsContact O-CA 3.31Å; Y96-C108 WeakPolarHBondContact O-CA 3.17Å
109	C	82.1	Confident	74.5	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.6	-179.9	-70.6	0	0	0	0	110.2	C70 F95 Y96 H98 A111	C70-C109 VanDerWaalsContact CA-SG 3.57Å; C70-C109 HydrophobicContact CB-CB 3.75Å; C70-C109 WeakPolarHBondContact CB-SG 3.45Å; C70-C109 WeakPolarHBondContact SG-CA 3.49Å; C70-C109 WeakPolarHBondContact SG-CB 3.31Å; C70-C109 CovalentContact SG-SG 2.02Å; C70-C109 PolarHBondContact SG-SG 3.02Å; F95-C109 CarbonylContact C-O 3.33Å; F95-C109 WeakPolarHBondContact CA-O 3.35Å; F95-C109 WeakPolarHBondContact CB-O 3.42Å; F95-C109 VanDerWaalsContact CD1-C 3.45Å; F95-C109 WeakPolarHBondContact CD1-O 3.44Å; Y96-C109 HydrophobicContact CD1-CB 4.2Å; Y96-C109 VanDerWaalsContact CD1-O 3.25Å; Y96-C109 WeakPolarHBondContact CD1-O 2.87Å; Y96-C109 HydrophobicContact CE1-CB 3.35Å; Y96-C109 WeakPolarHBondContact CE1-O 3.32Å; Y96-C109 HydrophobicContact CE2-CB 4.08Å; Y96-C109 PolarHBondContact N-O 2.79Å; Y96-C109 PolarHBondContact O-N 3.49Å; Y96-C109 WeakPolarHBondContact OH-CB 3.06Å; Y96-C109 PolarHBondContact OH-SG 3.16Å; Y96-C109 VanDerWaalsContact OH-SG 3.39Å; H98-C109 HydrophobicContact CB-CB 4.47Å; H98-C109 VanDerWaalsContact CB-SG 3.56Å; C109-A111 PolarHBondContact O-N 3.24Å
110	T	78.4	Confident	74.3	Confident	34 Å²	34	49.2 Å²	49.2	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.9	176.3	49.1	0	0	0	0	110.6	S74 F95 Y96 V112	S74-T110 WeakPolarHBondContact CB-OG1 3.35Å; S74-T110 WeakPolarHBondContact O-CG2 3.03Å; S74-T110 PolarHBondContact O-OG1 3.08Å; F95-T110 HydrophobicContact CD1-CG2 4.04Å; F95-T110 HydrophobicContact CE1-CG2 3.37Å; F95-T110 HydrophobicContact CZ-CG2 3.74Å; Y96-T110 WeakPolarHBondContact CE1-O 3.3Å; T110-V112 PolarHBondContact O-N 3.04Å
111	A	71.7	Confident	74.3	Confident	29 Å²	29	51.1 Å²	51.1	24%	0.24	33%	0.328	C	S	.	.			trans	-78.6	115.7	175.9	0	0	0	0	0	109.6	Q94 Y96 C109	Q94-A111 WeakPolarHBondContact O-CB 3.48Å; Q94-A111 PolarHBondContact O-N 3.1Å; Y96-A111 HydrophobicContact CD1-CB 4.21Å; C109-A111 PolarHBondContact O-N 3.24Å
112	V	65.2	Low	74.4	Confident	91 Å²	91	51.3 Å²	51.3	55%	0.552	33%	0.326	S	S	*	.			trans	-66.6	144.2	166.7	-167	0	0	0	0	108.6	T110 G114	T110-V112 PolarHBondContact O-N 3.04Å; V112-G114 PolarHBondContact O-N 2.95Å
113	V	55.6	Low	74.7	Confident	153 Å²	153	54.9 Å²	54.9	93%	0.927	34%	0.34	S	S	*	.	S	Bend	trans	-60.8	103.7	176.9	-177.8	0	0	0	0	109.2
114	G	54.7	Low	74.7	Confident	45 Å²	45	50.3 Å²	50.3	46%	0.464	31%	0.313	S	S	.	.	S	Bend	trans	165.7	138	-177.8	0	0	0	0	0	112.1	V112	V112-G114 PolarHBondContact O-N 2.95Å
115	G	59	Low	74.8	Confident	37 Å²	37	51.2 Å²	51.2	38%	0.381	31%	0.306	S	S	.	.			trans	-65.6	141.9	-176.7	0	0	0	0	0	113.1	C117 F118	G115-C117 PolarHBondContact O-N 3.19Å; G115-F118 PolarHBondContact O-N 3.39Å
116	K	65.9	Low	74.6	Confident	54 Å²	54	51.2 Å²	51.2	24%	0.235	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-39	-171	-53.2	-154.2	179.1	178.7	0	115.3	D88 R155 N156 I167	D88-K116 IonicContact OD2-NZ 2.63Å; D88-K116 PolarHBondContact OD2-NZ 3.49Å; K116-R155 HydrophobicContact CB-CB 3.67Å; K116-R155 HydrophobicContact CD-CB 4.28Å; K116-R155 HydrophobicContact CG-CB 4.04Å; K116-R155 HydrophobicContact CG-CG 4.44Å; K116-R155 CarbonylContact O-C 3.54Å; K116-N156 PolarHBondContact O-N 3.24Å; K116-I167 HydrophobicContact CB-CG2 4.17Å; K116-I167 HydrophobicContact CD-CD1 3.68Å; K116-I167 HydrophobicContact CD-CG2 4Å; K116-I167 HydrophobicContact CG-CG2 4.3Å
117	C	64.8	Low	74.3	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.02	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.6	-167	-35.3	0	0	0	0	114.2	G115 Y135	G115-C117 PolarHBondContact O-N 3.19Å; C117-Y135 HydrophobicContact CB-CD1 3.77Å; C117-Y135 HydrophobicContact CB-CG 4.12Å
118	F	68.1	Low	74.2	Confident	133 Å²	133	56.9 Å²	56.9	58%	0.583	33%	0.334	S	S	*	.			trans	-97.6	-0.2	-175.9	-57.8	-65.7	0	0	0	112.5	G115	G115-F118 PolarHBondContact O-N 3.39Å
119	L	70.3	Confident	74.3	Confident	63 Å²	63	63.9 Å²	63.9	33%	0.33	37%	0.365	S	S	.	.	S	Bend	trans	-79.3	131.8	177.5	-65.3	178.2	0	0	0	109.9	V121 N153 N156	L119-V121 VanDerWaalsContact C-N 3.33Å; L119-V121 PolarHBondContact O-N 3.21Å; L119-N153 HydrophobicContact CB-CB 4.07Å; L119-N153 HydrophobicContact CD1-CB 4.42Å; L119-N156 HydrophobicContact CB-CB 4.44Å; L119-N156 PolarHBondContact O-ND2 3.38Å
120	P	79	Confident	74.7	Confident	110 Å²	110	65.8 Å²	65.8	71%	0.714	38%	0.375	S	S	*	.			trans	-59.5	24	-169.4	-30.7	35.2	0	0	0	122.1	N153	P120-N153 VanDerWaalsContact N-ND2 3.13Å
121	V	84.2	Confident	75.4	Confident	45 Å²	45	68.7 Å²	68.7	27%	0.273	39%	0.393	S	S	.	.			trans	50.5	126.9	-161.6	100.1	0	0	0	0	114.6	L119 Y134 F145 N153	L119-V121 VanDerWaalsContact C-N 3.33Å; L119-V121 PolarHBondContact O-N 3.21Å; V121-Y134 HydrophobicContact CB-CD2 3.96Å; V121-Y134 HydrophobicContact CB-CE2 4.34Å; V121-Y134 HydrophobicContact CB-CG 4.15Å; V121-Y134 HydrophobicContact CG2-CD1 4Å; V121-Y134 HydrophobicContact CG2-CD2 4.06Å; V121-Y134 HydrophobicContact CG2-CG 3.71Å; V121-F145 HydrophobicContact CG2-CB 3.96Å; V121-F145 HydrophobicContact CG2-CD1 3.73Å; V121-F145 HydrophobicContact CG2-CD2 3.27Å; V121-F145 HydrophobicContact CG2-CE1 3.93Å; V121-F145 HydrophobicContact CG2-CE2 3.5Å; V121-F145 HydrophobicContact CG2-CG 3.37Å; V121-F145 HydrophobicContact CG2-CZ 3.81Å; V121-N153 WeakPolarHBondContact CA-ND2 3.41Å; V121-N153 VanDerWaalsContact CA-OD1 3.29Å; V121-N153 WeakPolarHBondContact CA-OD1 3.43Å; V121-N153 PolarHBondContact N-ND2 3Å; V121-N153 PolarHBondContact N-OD1 3.3Å
122	A	83.4	Confident	76.4	Confident	31 Å²	31	67.8 Å²	67.8	26%	0.256	38%	0.383	S	S	.	.			trans	-139	119.8	172.2	0	0	0	0	0	108.2	G124 N153	A122-G124 PolarHBondContact O-N 3.3Å; A122-N153 HydrophobicContact CB-CB 3.99Å; A122-N153 PolarHBondContact N-ND2 3.23Å; A122-N153 PolarHBondContact N-OD1 2.81Å
123	E	87.3	Confident	77.6	Confident	104 Å²	104	66.6 Å²	66.6	49%	0.486	37%	0.369	S	S	.	.			trans	-58.1	-31.4	-179.8	-56.8	-172.6	174.3	0	0	110.5	L146 H147 R148	E123-L146 WeakPolarHBondContact CA-O 3.47Å; E123-L146 WeakPolarHBondContact CB-O 3.36Å; E123-L146 WeakPolarHBondContact CG-O 3.34Å; E123-H147 CarbonylContact O-C 3.55Å; E123-H147 WeakPolarHBondContact O-CA 3.39Å; E123-H147 PolarHBondContact O-ND1 3.48Å; E123-R148 PolarHBondContact O-N 2.81Å
124	G	82.4	Confident	79.2	Confident	16 Å²	16	61.1 Å²	61.1	17%	0.165	33%	0.332	C	S	.	.			trans	78.4	-156	-175.9	0	0	0	0	0	111.1	A122 R148 K150	A122-G124 PolarHBondContact O-N 3.3Å; G124-R148 WeakPolarHBondContact O-CD 3.37Å; G124-K150 CarbonylContact C-O 3.46Å; G124-K150 WeakPolarHBondContact CA-O 3.39Å
125	Y	79.2	Confident	80.9	Confident	91 Å²	91	59.6 Å²	59.6	36%	0.357	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-130.8	168.6	-178.3	-51.2	-84.1	0	0	0	110.6	H38 R148 K150 R151	H38-Y125 HydrophobicContact CB-CD1 3.64Å; H38-Y125 HydrophobicContact CB-CE1 4.44Å; H38-Y125 HydrophobicContact CB-CG 4.12Å; H38-Y125 AromaticContact CD2-CD1 3.53Å; H38-Y125 AromaticContact CD2-CE1 3.48Å; H38-Y125 VanDerWaalsContact CD2-CE1 3.48Å; H38-Y125 WeakPolarHBondContact CD2-CE1 3.33Å; H38-Y125 AromaticContact CG-CD1 3.69Å; H38-Y125 AromaticContact NE2-CE1 3.95Å; Y125-R148 VanDerWaalsContact C-CB 3.42Å; Y125-R148 CarbonylContact O-C 3.46Å; Y125-R148 VanDerWaalsContact O-C 3.3Å; Y125-R148 WeakPolarHBondContact O-CB 3.27Å; Y125-K150 PolarHBondContact N-O 2.76Å; Y125-K150 WeakPolarHBondContact O-CB 3.02Å; Y125-K150 PolarHBondContact O-N 3.28Å; Y125-K150 VanDerWaalsContact O-N 3.09Å; Y125-R151 HydrophobicContact CD2-CB 4.02Å; Y125-R151 HydrophobicContact CD2-CG 4.35Å; Y125-R151 HydrophobicContact CE2-CB 4.41Å
126	G	77	Confident	82.3	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	109.8	178.3	-173.7	0	0	0	0	0	112.9	R148	G126-R148 CarbonylContact C-O 3.51Å; G126-R148 WeakPolarHBondContact CA-O 3.02Å; G126-R148 PolarHBondContact O-NH1 3.34Å
127	D	79.5	Confident	83.2	Confident	76 Å²	76	58.9 Å²	58.9	41%	0.406	31%	0.306	S	S	.	.	S	Bend	trans	-98.6	-3.1	-175.8	-58.2	-52.3	0	0	0	113.4	T39 K58	T39-D127 WeakPolarHBondContact CB-OD1 3.48Å; T39-D127 WeakPolarHBondContact CG2-OD1 3.32Å; K58-D127 IonicContact NZ-OD2 2.99Å; K58-D127 PolarHBondContact NZ-OD2 3.42Å
128	E	83.3	Confident	84.2	Confident	64 Å²	64	67.1 Å²	67.1	30%	0.299	34%	0.343	S	S	.	.			trans	-74.7	149.4	-174.4	-57.8	-166.5	-154.2	0	0	111	G101 L130 R148	G101-E128 WeakPolarHBondContact CA-OE2 3.39Å; E128-L130 HydrophobicContact CB-CD1 4.19Å; E128-L130 HydrophobicContact CB-CD2 4.32Å; E128-L130 HydrophobicContact CB-CG 3.88Å; E128-L130 WeakPolarHBondContact OE2-CD1 3.32Å; E128-L130 WeakPolarHBondContact OE2-CD2 2.98Å; E128-R148 PolarHBondContact N-O 3.12Å; E128-R148 WeakPolarHBondContact O-CA 3.2Å
129	Q	90	Very high	85.2	Confident	159 Å²	159	64.5 Å²	64.5	74%	0.743	34%	0.338	S	S	*	.			trans	-118.3	72	177.3	-70	-169.1	44.3	0	0	109.2	L146	Q129-L146 HydrophobicContact CB-CD1 3.86Å; Q129-L146 HydrophobicContact CG-CD1 4.38Å
130	L	89.7	Confident	86	Confident	41 Å²	41	67.8 Å²	67.8	22%	0.215	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.2	-173.7	-53.2	169.8	0	0	0	110.1	E128 R132 H147	E128-L130 HydrophobicContact CB-CD1 4.19Å; E128-L130 HydrophobicContact CB-CD2 4.32Å; E128-L130 HydrophobicContact CB-CG 3.88Å; E128-L130 WeakPolarHBondContact OE2-CD1 3.32Å; E128-L130 WeakPolarHBondContact OE2-CD2 2.98Å; L130-R132 HydrophobicContact CB-CG 4.32Å; L130-R132 PolarHBondContact O-N 3.1Å; L130-H147 HydrophobicContact CB-CB 4.28Å; L130-H147 VanDerWaalsContact CB-O 3.3Å; L130-H147 WeakPolarHBondContact CB-O 3.16Å; L130-H147 PolarHBondContact N-O 3.4Å; L130-H147 PolarHBondContact O-N 2.8Å
131	T	93.6	Very high	86.5	Confident	96 Å²	96	65.5 Å²	65.5	59%	0.589	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	115.2	169.7	-58.9	0	0	0	0	109.5	L144	T131-L144 HydrophobicContact CG2-CD1 4.2Å; T131-L144 HydrophobicContact CG2-CD2 3.54Å; T131-L144 HydrophobicContact CG2-CG 4.32Å
132	R	91.9	Very high	86.9	Confident	9 Å²	9	64 Å²	64	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	165.8	-179.1	-65.6	-64.2	-177.1	91.3	-1.4	110.6	I99 G100 L130 L144 F145 H147 N157	I99-R132 PolarHBondContact O-NH1 2.74Å; I99-R132 PolarHBondContact O-NH2 2.86Å; G100-R132 PolarHBondContact O-NH2 2.7Å; L130-R132 HydrophobicContact CB-CG 4.32Å; L130-R132 PolarHBondContact O-N 3.1Å; R132-L144 CarbonylContact O-C 3.3Å; R132-L144 VanDerWaalsContact O-CA 3.25Å; R132-L144 WeakPolarHBondContact O-CA 3.2Å; R132-F145 HydrophobicContact CB-CD1 3.81Å; R132-F145 HydrophobicContact CB-CE1 3.32Å; R132-F145 HydrophobicContact CB-CZ 3.79Å; R132-F145 HydrophobicContact CG-CE1 4.44Å; R132-F145 PolarHBondContact N-O 3.31Å; R132-F145 WeakPolarHBondContact O-CD1 3.42Å; R132-F145 PolarHBondContact O-N 2.83Å; R132-H147 HydrophobicContact CB-CB 4.3Å; R132-H147 HydrophobicContact CG-CB 3.6Å; R132-N157 WeakPolarHBondContact CB-OD1 3.5Å; R132-N157 VanDerWaalsContact CD-OD1 3.31Å; R132-N157 WeakPolarHBondContact CD-OD1 3.36Å; R132-N157 WeakPolarHBondContact CG-OD1 3.11Å; R132-N157 PolarHBondContact NH1-OD1 2.86Å
133	W	91.8	Very high	87.3	Confident	67 Å²	67	68.8 Å²	68.8	25%	0.254	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.1	176.5	-64.4	79.8	0	0	0	110.3	C142 R143 L144 N157 F158 P161 C164	W133-C142 HydrophobicContact CE3-CB 4.03Å; W133-R143 CarbonylContact C-O 3.6Å; W133-R143 VanDerWaalsContact CA-O 3.29Å; W133-R143 WeakPolarHBondContact CA-O 3.44Å; W133-L144 HydrophobicContact CD2-CD2 3.6Å; W133-L144 HydrophobicContact CD2-CG 4.39Å; W133-L144 HydrophobicContact CE3-CD2 4.1Å; W133-L144 HydrophobicContact CE3-CG 4.42Å; W133-L144 HydrophobicContact CG-CD2 4.04Å; W133-L144 HydrophobicContact CH2-CD2 4.09Å; W133-L144 HydrophobicContact CH2-CG 4.16Å; W133-L144 HydrophobicContact CZ2-CD2 3.56Å; W133-L144 HydrophobicContact CZ2-CG 4.1Å; W133-L144 HydrophobicContact CZ3-CD2 4.33Å; W133-L144 HydrophobicContact CZ3-CG 4.32Å; W133-N157 CarbonylContact O-C 3.39Å; W133-N157 WeakPolarHBondContact O-CA 3.42Å; W133-F158 HydrophobicContact CB-CB 4.14Å; W133-F158 PolarHBondContact N-O 3.45Å; W133-F158 WeakPolarHBondContact O-CD2 3.43Å; W133-F158 PolarHBondContact O-N 3.27Å; W133-P161 HydrophobicContact CD2-CB 3.83Å; W133-P161 HydrophobicContact CD2-CG 4.45Å; W133-P161 HydrophobicContact CE3-CB 3.88Å; W133-P161 HydrophobicContact CH2-CB 3.99Å; W133-P161 HydrophobicContact CH2-CG 4.29Å; W133-P161 HydrophobicContact CZ2-CB 3.96Å; W133-P161 HydrophobicContact CZ2-CG 3.92Å; W133-P161 HydrophobicContact CZ3-CB 3.95Å; W133-C164 HydrophobicContact CB-CB 4.1Å
134	Y	89.3	Confident	87.7	Confident	37 Å²	37	68.2 Å²	68.2	15%	0.145	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.8	170.1	80	-74.9	0	0	0	109.3	V121 D136 C142 R143 F145 N156 C164	V121-Y134 HydrophobicContact CB-CD2 3.96Å; V121-Y134 HydrophobicContact CB-CE2 4.34Å; V121-Y134 HydrophobicContact CB-CG 4.15Å; V121-Y134 HydrophobicContact CG2-CD1 4Å; V121-Y134 HydrophobicContact CG2-CD2 4.06Å; V121-Y134 HydrophobicContact CG2-CG 3.71Å; Y134-D136 HydrophobicContact CD2-CB 4.4Å; Y134-D136 HydrophobicContact CE2-CB 3.61Å; Y134-D136 PolarHBondContact OH-OD2 2.77Å; Y134-C142 CarbonylContact O-C 3.53Å; Y134-C142 VanDerWaalsContact O-CA 3.31Å; Y134-C142 WeakPolarHBondContact O-CA 3.43Å; Y134-R143 HydrophobicContact CD1-CB 4.24Å; Y134-R143 VanDerWaalsContact CD1-O 3.26Å; Y134-R143 WeakPolarHBondContact CD1-O 3.5Å; Y134-R143 HydrophobicContact CE1-CB 3.63Å; Y134-R143 PolarHBondContact N-O 3.22Å; Y134-R143 PolarHBondContact O-N 3Å; Y134-F145 HydrophobicContact CD1-CB 3.79Å; Y134-F145 AromaticContact CD1-CD1 3.71Å; Y134-F145 HydrophobicContact CD1-CD1 3.71Å; Y134-F145 HydrophobicContact CD1-CG 4.05Å; Y134-F145 HydrophobicContact CE1-CB 4.02Å; Y134-F145 HydrophobicContact CG-CD1 4.17Å; Y134-N156 WeakPolarHBondContact CB-O 3.23Å; Y134-C164 VanDerWaalsContact C-SG 3.56Å
135	Y	88.7	Confident	88.2	Confident	14 Å²	14	68.7 Å²	68.7	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.5	171	-177.1	-98.5	0	0	0	109.3	C117 P137 Q140 N156 Y168	C117-Y135 HydrophobicContact CB-CD1 3.77Å; C117-Y135 HydrophobicContact CB-CG 4.12Å; Y135-P137 HydrophobicContact CE1-CB 4.1Å; Y135-P137 WeakPolarHBondContact O-CD 3.24Å; Y135-Q140 WeakPolarHBondContact OH-CA 3.31Å; Y135-N156 PolarHBondContact N-OD1 3.32Å; Y135-N156 PolarHBondContact O-ND2 3.49Å; Y135-Y168 HydrophobicContact CD2-CD2 4.41Å; Y135-Y168 AromaticContact CE2-CD2 3.51Å; Y135-Y168 HydrophobicContact CE2-CD2 3.51Å; Y135-Y168 HydrophobicContact CE2-CE2 4.02Å; Y135-Y168 HydrophobicContact CE2-CG 4.08Å; Y135-Y168 AromaticContact CZ-CD2 3.63Å; Y135-Y168 AromaticContact CZ-CE2 3.87Å; Y135-Y168 WeakPolarHBondContact OH-CD2 3.48Å; Y135-Y168 WeakPolarHBondContact OH-CE2 3.28Å
136	D	88.9	Confident	88.8	Confident	15 Å²	15	67.5 Å²	67.5	8%	0.08	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.2	174.5	-177.1	-20.2	0	0	0	108.9	Y134 H138 V139 Q140 S141 R143	Y134-D136 HydrophobicContact CD2-CB 4.4Å; Y134-D136 HydrophobicContact CE2-CB 3.61Å; Y134-D136 PolarHBondContact OH-OD2 2.77Å; D136-H138 PolarHBondContact O-N 3.33Å; D136-H138 WeakPolarHBondContact OD1-CB 3.12Å; D136-H138 IonicContact OD1-CD2 3.55Å; D136-H138 IonicContact OD1-CG 3.82Å; D136-H138 PolarHBondContact OD1-N 2.04Å; D136-V139 HydrophobicContact CB-CG2 3.55Å; D136-V139 PolarHBondContact O-N 2.85Å; D136-Q140 WeakPolarHBondContact O-CA 3.45Å; D136-Q140 PolarHBondContact O-N 2.98Å; D136-S141 PolarHBondContact N-O 2.79Å; D136-S141 PolarHBondContact O-N 2.81Å; D136-R143 HydrophobicContact CB-CG 4.32Å
137	P	84.1	Confident	89.3	Confident	61 Å²	61	67.4 Å²	67.4	40%	0.396	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19	-176.9	28.5	-34.8	0	0	0	113.3	Y135	Y135-P137 HydrophobicContact CE1-CB 4.1Å; Y135-P137 WeakPolarHBondContact O-CD 3.24Å
138	H	87	Confident	89.6	Confident	175 Å²	175	68.2 Å²	68.2	81%	0.81	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-37	179.5	-61	-70.3	0	0	0	111.9	D136	D136-H138 PolarHBondContact O-N 3.33Å; D136-H138 WeakPolarHBondContact OD1-CB 3.12Å; D136-H138 IonicContact OD1-CD2 3.55Å; D136-H138 IonicContact OD1-CG 3.82Å; D136-H138 PolarHBondContact OD1-N 2.04Å
139	V	89.6	Confident	89.4	Confident	78 Å²	78	65.1 Å²	65.1	47%	0.473	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-5.2	174.7	-60.2	0	0	0	0	113.2	D136 S141 R143	D136-V139 HydrophobicContact CB-CG2 3.55Å; D136-V139 PolarHBondContact O-N 2.85Å; V139-S141 PolarHBondContact O-N 2.99Å; V139-R143 HydrophobicContact CG2-CG 4.18Å
140	Q	87.2	Confident	88.7	Confident	132 Å²	132	58.5 Å²	58.5	62%	0.617	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36	-176.9	-57.5	-174.1	-41.1	0	0	113.7	Y135 D136	Y135-Q140 WeakPolarHBondContact OH-CA 3.31Å; D136-Q140 WeakPolarHBondContact O-CA 3.45Å; D136-Q140 PolarHBondContact O-N 2.98Å
141	S	89.2	Confident	88	Confident	62 Å²	62	60.4 Å²	60.4	43%	0.434	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.9	-174.6	-168.7	0	0	0	0	111.3	D136 V139	D136-S141 PolarHBondContact N-O 2.79Å; D136-S141 PolarHBondContact O-N 2.81Å; V139-S141 PolarHBondContact O-N 2.99Å
142	C	91.3	Very high	86.8	Confident	13 Å²	13	56.2 Å²	56.2	9%	0.088	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.8	176.1	-69.6	0	0	0	0	110.2	W133 Y134 C164 E165	W133-C142 HydrophobicContact CE3-CB 4.03Å; Y134-C142 CarbonylContact O-C 3.53Å; Y134-C142 VanDerWaalsContact O-CA 3.31Å; Y134-C142 WeakPolarHBondContact O-CA 3.43Å; C142-C164 HydrophobicContact CB-CB 3.8Å; C142-C164 WeakPolarHBondContact CB-SG 3.17Å; C142-C164 WeakPolarHBondContact SG-CB 3.38Å; C142-C164 CovalentContact SG-SG 2.03Å; C142-C164 PolarHBondContact SG-SG 3.28Å; C142-E165 HydrophobicContact CB-CG 4.45Å
143	R	93.2	Very high	85.5	Confident	132 Å²	132	56.9 Å²	56.9	50%	0.498	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	158.9	178.3	-66.3	-168.3	71.9	178.5	1.3	111.1	W133 Y134 D136 V139	W133-R143 CarbonylContact C-O 3.6Å; W133-R143 VanDerWaalsContact CA-O 3.29Å; W133-R143 WeakPolarHBondContact CA-O 3.44Å; Y134-R143 HydrophobicContact CD1-CB 4.24Å; Y134-R143 VanDerWaalsContact CD1-O 3.26Å; Y134-R143 WeakPolarHBondContact CD1-O 3.5Å; Y134-R143 HydrophobicContact CE1-CB 3.63Å; Y134-R143 PolarHBondContact N-O 3.22Å; Y134-R143 PolarHBondContact O-N 3Å; D136-R143 HydrophobicContact CB-CG 4.32Å; V139-R143 HydrophobicContact CG2-CG 4.18Å
144	L	94.2	Very high	84.2	Confident	93 Å²	93	54.7 Å²	54.7	49%	0.487	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145.2	173.4	-68.7	175.2	0	0	0	111.3	T131 R132 W133	T131-L144 HydrophobicContact CG2-CD1 4.2Å; T131-L144 HydrophobicContact CG2-CD2 3.54Å; T131-L144 HydrophobicContact CG2-CG 4.32Å; R132-L144 CarbonylContact O-C 3.3Å; R132-L144 VanDerWaalsContact O-CA 3.25Å; R132-L144 WeakPolarHBondContact O-CA 3.2Å; W133-L144 HydrophobicContact CD2-CD2 3.6Å; W133-L144 HydrophobicContact CD2-CG 4.39Å; W133-L144 HydrophobicContact CE3-CD2 4.1Å; W133-L144 HydrophobicContact CE3-CG 4.42Å; W133-L144 HydrophobicContact CG-CD2 4.04Å; W133-L144 HydrophobicContact CH2-CD2 4.09Å; W133-L144 HydrophobicContact CH2-CG 4.16Å; W133-L144 HydrophobicContact CZ2-CD2 3.56Å; W133-L144 HydrophobicContact CZ2-CG 4.1Å; W133-L144 HydrophobicContact CZ3-CD2 4.33Å; W133-L144 HydrophobicContact CZ3-CG 4.32Å
145	F	92.5	Very high	83.5	Confident	25 Å²	25	55.6 Å²	55.6	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.7	166	81.6	-74	0	0	0	110.9	V121 R132 Y134 H147 N157	V121-F145 HydrophobicContact CG2-CB 3.96Å; V121-F145 HydrophobicContact CG2-CD1 3.73Å; V121-F145 HydrophobicContact CG2-CD2 3.27Å; V121-F145 HydrophobicContact CG2-CE1 3.93Å; V121-F145 HydrophobicContact CG2-CE2 3.5Å; V121-F145 HydrophobicContact CG2-CG 3.37Å; V121-F145 HydrophobicContact CG2-CZ 3.81Å; R132-F145 HydrophobicContact CB-CD1 3.81Å; R132-F145 HydrophobicContact CB-CE1 3.32Å; R132-F145 HydrophobicContact CB-CZ 3.79Å; R132-F145 HydrophobicContact CG-CE1 4.44Å; R132-F145 PolarHBondContact N-O 3.31Å; R132-F145 WeakPolarHBondContact O-CD1 3.42Å; R132-F145 PolarHBondContact O-N 2.83Å; Y134-F145 HydrophobicContact CD1-CB 3.79Å; Y134-F145 AromaticContact CD1-CD1 3.71Å; Y134-F145 HydrophobicContact CD1-CD1 3.71Å; Y134-F145 HydrophobicContact CD1-CG 4.05Å; Y134-F145 HydrophobicContact CE1-CB 4.02Å; Y134-F145 HydrophobicContact CG-CD1 4.17Å; F145-H147 HydrophobicContact CE2-CB 3.91Å; F145-H147 HydrophobicContact CZ-CB 4.16Å; F145-N157 HydrophobicContact CE1-CB 4.25Å; F145-N157 HydrophobicContact CZ-CB 3.83Å
146	L	91.8	Very high	83.2	Confident	66 Å²	66	55 Å²	55	35%	0.346	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.5	177.1	-170.5	65.8	0	0	0	110.5	E123 Q129	E123-L146 WeakPolarHBondContact CA-O 3.47Å; E123-L146 WeakPolarHBondContact CB-O 3.36Å; E123-L146 WeakPolarHBondContact CG-O 3.34Å; Q129-L146 HydrophobicContact CB-CD1 3.86Å; Q129-L146 HydrophobicContact CG-CD1 4.38Å
147	H	88.7	Confident	83.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.3	172.3	-178.5	48.8	0	0	0	110.6	E123 L130 R132 F145 G149 R151 N157	E123-H147 CarbonylContact O-C 3.55Å; E123-H147 WeakPolarHBondContact O-CA 3.39Å; E123-H147 PolarHBondContact O-ND1 3.48Å; L130-H147 HydrophobicContact CB-CB 4.28Å; L130-H147 VanDerWaalsContact CB-O 3.3Å; L130-H147 WeakPolarHBondContact CB-O 3.16Å; L130-H147 PolarHBondContact N-O 3.4Å; L130-H147 PolarHBondContact O-N 2.8Å; R132-H147 HydrophobicContact CB-CB 4.3Å; R132-H147 HydrophobicContact CG-CB 3.6Å; F145-H147 HydrophobicContact CE2-CB 3.91Å; F145-H147 HydrophobicContact CZ-CB 4.16Å; H147-G149 VanDerWaalsContact C-N 3.25Å; H147-G149 WeakPolarHBondContact NE2-CA 3.31Å; H147-G149 PolarHBondContact NE2-N 3.48Å; H147-G149 PolarHBondContact O-N 3.33Å; H147-R151 PolarHBondContact CE1-O 2.74Å; H147-N157 PolarHBondContact CD2-ND2 3.15Å; H147-N157 VanDerWaalsContact CG-ND2 3.27Å
148	R	85.5	Confident	83.3	Confident	93 Å²	93	53.6 Å²	53.6	35%	0.351	25%	0.254	S	S	.	.			trans	-81.5	0.2	-177.2	-70.5	-173.3	151.9	-109.6	4.2	115.1	E123 G124 Y125 G126 E128	E123-R148 PolarHBondContact O-N 2.81Å; G124-R148 WeakPolarHBondContact O-CD 3.37Å; Y125-R148 VanDerWaalsContact C-CB 3.42Å; Y125-R148 CarbonylContact O-C 3.46Å; Y125-R148 VanDerWaalsContact O-C 3.3Å; Y125-R148 WeakPolarHBondContact O-CB 3.27Å; G126-R148 CarbonylContact C-O 3.51Å; G126-R148 WeakPolarHBondContact CA-O 3.02Å; G126-R148 PolarHBondContact O-NH1 3.34Å; E128-R148 PolarHBondContact N-O 3.12Å; E128-R148 WeakPolarHBondContact O-CA 3.2Å
149	G	79.4	Confident	83.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	96.3	-19.4	171.4	0	0	0	0	0	114.9	G100 G101 S105 H147	G100-G149 CarbonylContact C-O 3.57Å; G100-G149 WeakPolarHBondContact CA-O 3.39Å; G101-G149 PolarHBondContact N-O 3.39Å; S105-G149 PolarHBondContact OG-O 2.94Å; H147-G149 VanDerWaalsContact C-N 3.25Å; H147-G149 WeakPolarHBondContact NE2-CA 3.31Å; H147-G149 PolarHBondContact NE2-N 3.48Å; H147-G149 PolarHBondContact O-N 3.33Å
150	K	75.8	Confident	83.3	Confident	19 Å²	19	49.9 Å²	49.9	8%	0.083	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-133.6	150.1	179.4	-57.3	-178.4	-179.6	174.9	0	112	E62 F66 G124 Y125	E62-K150 VanDerWaalsContact CG-NZ 3.25Å; E62-K150 IonicContact OE1-NZ 2.74Å; E62-K150 PolarHBondContact OE1-NZ 2.76Å; E62-K150 IonicContact OE2-NZ 3.43Å; E62-K150 PolarHBondContact OE2-NZ 3.46Å; F66-K150 HydrophobicContact CB-CD 3.97Å; F66-K150 HydrophobicContact CD1-CD 4.03Å; F66-K150 HydrophobicContact CD2-CD 3.84Å; F66-K150 VanDerWaalsContact CD2-NZ 3.31Å; F66-K150 HydrophobicContact CE1-CD 4.37Å; F66-K150 HydrophobicContact CE2-CD 4.26Å; F66-K150 HydrophobicContact CG-CD 3.69Å; F66-K150 HydrophobicContact CZ-CD 4.45Å; G124-K150 CarbonylContact C-O 3.46Å; G124-K150 WeakPolarHBondContact CA-O 3.39Å; Y125-K150 PolarHBondContact N-O 2.76Å; Y125-K150 WeakPolarHBondContact O-CB 3.02Å; Y125-K150 PolarHBondContact O-N 3.28Å; Y125-K150 VanDerWaalsContact O-N 3.09Å
151	R	73.6	Confident	83.4	Confident	82 Å²	82	45.8 Å²	45.8	31%	0.309	22%	0.222	S	C	.	.			trans	52.5	-151.8	-174.6	-67.3	-177.1	163.1	-177.3	-4.9	111.2	P69 T71 H98 Y125 H147	P69-R151 WeakPolarHBondContact O-CA 3.26Å; T71-R151 HydrophobicContact CG2-CB 4.17Å; H98-R151 PolarHBondContact NE2-O 3.38Å; Y125-R151 HydrophobicContact CD2-CB 4.02Å; Y125-R151 HydrophobicContact CD2-CG 4.35Å; Y125-R151 HydrophobicContact CE2-CB 4.41Å; H147-R151 PolarHBondContact CE1-O 2.74Å
152	G	69.7	Low	83.4	Confident	7 Å²	7	48.3 Å²	48.3	7%	0.072	23%	0.23	C	C	.	.			trans	95.1	-178.9	-172.1	0	0	0	0	0	111.6	T71 H154	T71-G152 WeakPolarHBondContact CG2-O 3.36Å; G152-H154 PolarHBondContact O-CE1 3.46Å; G152-H154 PolarHBondContact O-ND1 2.78Å
153	N	64.6	Low	83.1	Confident	24 Å²	24	48.8 Å²	48.8	13%	0.128	24%	0.238	C	C	.	.			trans	-104.9	137	-171.1	65.1	10.1	0	0	0	111.5	L119 P120 V121 A122 R155	L119-N153 HydrophobicContact CB-CB 4.07Å; L119-N153 HydrophobicContact CD1-CB 4.42Å; P120-N153 VanDerWaalsContact N-ND2 3.13Å; V121-N153 WeakPolarHBondContact CA-ND2 3.41Å; V121-N153 VanDerWaalsContact CA-OD1 3.29Å; V121-N153 WeakPolarHBondContact CA-OD1 3.43Å; V121-N153 PolarHBondContact N-ND2 3Å; V121-N153 PolarHBondContact N-OD1 3.3Å; A122-N153 HydrophobicContact CB-CB 3.99Å; A122-N153 PolarHBondContact N-ND2 3.23Å; A122-N153 PolarHBondContact N-OD1 2.81Å; N153-R155 PolarHBondContact O-N 3.16Å
154	H	63.7	Low	82.8	Confident	21 Å²	21	42.5 Å²	42.5	10%	0.097	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn		-95	-1.5	-121.7	-89.5	-37.2	0	0	0	114.4	T71 Y96 H98 G152	T71-H154 WeakPolarHBondContact CB-NE2 3.44Å; T71-H154 VanDerWaalsContact CG2-NE2 3.34Å; T71-H154 WeakPolarHBondContact CG2-NE2 3.41Å; T71-H154 PolarHBondContact N-NE2 2.75Å; T71-H154 PolarHBondContact OG1-CD2 3.03Å; T71-H154 PolarHBondContact OG1-NE2 2.96Å; Y96-H154 WeakPolarHBondContact CD2-O 3.5Å; Y96-H154 HydrophobicContact CE1-CB 3.76Å; Y96-H154 HydrophobicContact CE2-CB 3.75Å; Y96-H154 WeakPolarHBondContact CE2-O 3.12Å; Y96-H154 AromaticContact CZ-CG 3.51Å; Y96-H154 AromaticContact CZ-ND1 3.79Å; Y96-H154 WeakPolarHBondContact OH-CB 3.33Å; Y96-H154 PolarHBondContact OH-CD2 2.8Å; Y96-H154 VanDerWaalsContact OH-CD2 3.23Å; Y96-H154 PolarHBondContact OH-CE1 3.29Å; Y96-H154 PolarHBondContact OH-ND1 2.98Å; Y96-H154 PolarHBondContact OH-NE2 2.88Å; H98-H154 AromaticContact CD2-CE1 3.74Å; H98-H154 AromaticContact CD2-ND1 3.49Å; H98-H154 PolarHBondContact CD2-ND1 2.84Å; G152-H154 PolarHBondContact O-CE1 3.46Å; G152-H154 PolarHBondContact O-ND1 2.78Å
155	R	74.8	Confident	82.4	Confident	55 Å²	55	42.6 Å²	42.6	21%	0.208	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-0.8	178.3	-63.7	-171.2	172.3	-174.8	-17.3	113.2	Y96 K116 N153 N157 F158	Y96-R155 VanDerWaalsContact CB-NE 3.28Å; Y96-R155 HydrophobicContact CD1-CG 4.31Å; Y96-R155 HydrophobicContact CD2-CG 3.88Å; Y96-R155 HydrophobicContact CG-CG 3.83Å; K116-R155 HydrophobicContact CB-CB 3.67Å; K116-R155 HydrophobicContact CD-CB 4.28Å; K116-R155 HydrophobicContact CG-CB 4.04Å; K116-R155 HydrophobicContact CG-CG 4.44Å; K116-R155 CarbonylContact O-C 3.54Å; N153-R155 PolarHBondContact O-N 3.16Å; R155-N157 VanDerWaalsContact C-N 3.33Å; R155-F158 WeakPolarHBondContact O-CE1 3.28Å; R155-F158 WeakPolarHBondContact O-CZ 3.15Å
156	N	83.3	Confident	81.6	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.011	23%	0.231	C	C	.	.	S	Bend	trans	-103.6	44.1	175	-154.7	14.6	0	0	0	110.6	K116 L119 Y134 Y135	K116-N156 PolarHBondContact O-N 3.24Å; L119-N156 HydrophobicContact CB-CB 4.44Å; L119-N156 PolarHBondContact O-ND2 3.38Å; Y134-N156 WeakPolarHBondContact CB-O 3.23Å; Y135-N156 PolarHBondContact N-OD1 3.32Å; Y135-N156 PolarHBondContact O-ND2 3.49Å
157	N	86	Confident	80.3	Confident	23 Å²	23	44.4 Å²	44.4	12%	0.123	23%	0.226	C	C	.	.			trans	-144	106.3	-178.9	179.3	-20.3	0	0	0	107.6	R132 W133 F145 H147 R155	R132-N157 WeakPolarHBondContact CB-OD1 3.5Å; R132-N157 VanDerWaalsContact CD-OD1 3.31Å; R132-N157 WeakPolarHBondContact CD-OD1 3.36Å; R132-N157 WeakPolarHBondContact CG-OD1 3.11Å; R132-N157 PolarHBondContact NH1-OD1 2.86Å; W133-N157 CarbonylContact O-C 3.39Å; W133-N157 WeakPolarHBondContact O-CA 3.42Å; F145-N157 HydrophobicContact CE1-CB 4.25Å; F145-N157 HydrophobicContact CZ-CB 3.83Å; H147-N157 PolarHBondContact CD2-ND2 3.15Å; H147-N157 VanDerWaalsContact CG-ND2 3.27Å; R155-N157 VanDerWaalsContact C-N 3.33Å
158	F	87.4	Confident	79	Confident	23 Å²	23	47.6 Å²	47.6	10%	0.101	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-121.4	143.9	-173.3	-53.5	-79.6	0	0	0	110.7	W133 R155 N160 C164 I167	W133-F158 HydrophobicContact CB-CB 4.14Å; W133-F158 PolarHBondContact N-O 3.45Å; W133-F158 WeakPolarHBondContact O-CD2 3.43Å; W133-F158 PolarHBondContact O-N 3.27Å; R155-F158 WeakPolarHBondContact O-CE1 3.28Å; R155-F158 WeakPolarHBondContact O-CZ 3.15Å; F158-N160 VanDerWaalsContact C-N 3.31Å; F158-N160 PolarHBondContact O-N 2.84Å; F158-C164 HydrophobicContact CB-CB 4.01Å; F158-C164 HydrophobicContact CD2-CB 3.42Å; F158-C164 VanDerWaalsContact CD2-CB 3.42Å; F158-C164 HydrophobicContact CE2-CB 4.01Å; F158-C164 HydrophobicContact CG-CB 3.78Å; F158-I167 HydrophobicContact CE1-CD1 3.48Å; F158-I167 VanDerWaalsContact CE1-CD1 3.48Å; F158-I167 HydrophobicContact CE1-CG1 4.44Å; F158-I167 HydrophobicContact CZ-CD1 3.96Å
159	L	88.3	Confident	77.6	Confident	98 Å²	98	46.9 Å²	46.9	51%	0.513	25%	0.247	S	C	.	.	S	Bend	trans	-71.5	-25	177.8	-71.1	171.7	0	0	0	113.2	I99	I99-L159 HydrophobicContact CD1-CD1 3.83Å; I99-L159 HydrophobicContact CD1-CG 4.15Å; I99-L159 HydrophobicContact CG2-CD1 4.04Å; I99-L159 HydrophobicContact CG2-CD2 4.01Å; I99-L159 HydrophobicContact CG2-CG 4.08Å
160	N	89.2	Confident	76.4	Confident	77 Å²	77	49.6 Å²	49.6	41%	0.412	28%	0.276	S	S	.	.	S	Bend	trans	-148.1	157.4	-174.6	63.1	66.3	0	0	0	110.7	F158 L162 G163 C164	F158-N160 VanDerWaalsContact C-N 3.31Å; F158-N160 PolarHBondContact O-N 2.84Å; N160-L162 VanDerWaalsContact C-N 3.31Å; N160-L162 PolarHBondContact O-N 2.8Å; N160-L162 PolarHBondContact OD1-N 2.88Å; N160-G163 PolarHBondContact O-N 3.3Å; N160-G163 PolarHBondContact OD1-N 3.3Å; N160-C164 PolarHBondContact O-N 2.9Å
161	P	90	Very high	75.2	Confident	46 Å²	46	53.2 Å²	53.2	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-36.3	-176.1	24.1	-31.4	0	0	0	111.6	W133 G163 C164 E165	W133-P161 HydrophobicContact CD2-CB 3.83Å; W133-P161 HydrophobicContact CD2-CG 4.45Å; W133-P161 HydrophobicContact CE3-CB 3.88Å; W133-P161 HydrophobicContact CH2-CB 3.99Å; W133-P161 HydrophobicContact CH2-CG 4.29Å; W133-P161 HydrophobicContact CZ2-CB 3.96Å; W133-P161 HydrophobicContact CZ2-CG 3.92Å; W133-P161 HydrophobicContact CZ3-CB 3.95Å; P161-G163 VanDerWaalsContact C-N 3.33Å; P161-G163 PolarHBondContact O-N 2.85Å; P161-C164 CarbonylContact O-C 3.48Å; P161-C164 WeakPolarHBondContact O-CA 3.44Å; P161-C164 WeakPolarHBondContact O-CB 3.15Å; P161-C164 PolarHBondContact O-N 3.35Å; P161-E165 WeakPolarHBondContact O-CB 3.42Å; P161-E165 WeakPolarHBondContact O-CG 3.4Å; P161-E165 PolarHBondContact O-N 3.48Å
162	L	88	Confident	73.7	Confident	115 Å²	115	56.1 Å²	56.1	60%	0.602	31%	0.309	S	S	*	.	H	α-helix	trans	-57.5	-45	177.1	-177.9	65.4	0	0	0	111.5	N160 C164 E165 T166	N160-L162 VanDerWaalsContact C-N 3.31Å; N160-L162 PolarHBondContact O-N 2.8Å; N160-L162 PolarHBondContact OD1-N 2.88Å; L162-C164 VanDerWaalsContact C-N 3.26Å; L162-C164 PolarHBondContact O-N 2.84Å; L162-E165 PolarHBondContact O-N 3.13Å; L162-T166 VanDerWaalsContact O-CB 3.31Å; L162-T166 WeakPolarHBondContact O-CB 3.37Å; L162-T166 PolarHBondContact O-N 3.09Å; L162-T166 PolarHBondContact O-OG1 3.19Å
163	G	84.7	Confident	71.9	Confident	24 Å²	24	68 Å²	68	25%	0.247	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-32.3	177.2	0	0	0	0	0	113	N160 P161	N160-G163 PolarHBondContact O-N 3.3Å; N160-G163 PolarHBondContact OD1-N 3.3Å; P161-G163 VanDerWaalsContact C-N 3.33Å; P161-G163 PolarHBondContact O-N 2.85Å
164	C	87.7	Confident	72.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-72.1	-45.5	173.7	178.5	0	0	0	0	111.8	W133 Y134 C142 F158 N160 P161 L162	W133-C164 HydrophobicContact CB-CB 4.1Å; Y134-C164 VanDerWaalsContact C-SG 3.56Å; C142-C164 HydrophobicContact CB-CB 3.8Å; C142-C164 WeakPolarHBondContact CB-SG 3.17Å; C142-C164 WeakPolarHBondContact SG-CB 3.38Å; C142-C164 CovalentContact SG-SG 2.03Å; C142-C164 PolarHBondContact SG-SG 3.28Å; F158-C164 HydrophobicContact CB-CB 4.01Å; F158-C164 HydrophobicContact CD2-CB 3.42Å; F158-C164 VanDerWaalsContact CD2-CB 3.42Å; F158-C164 HydrophobicContact CE2-CB 4.01Å; F158-C164 HydrophobicContact CG-CB 3.78Å; N160-C164 PolarHBondContact O-N 2.9Å; P161-C164 CarbonylContact O-C 3.48Å; P161-C164 WeakPolarHBondContact O-CA 3.44Å; P161-C164 WeakPolarHBondContact O-CB 3.15Å; P161-C164 PolarHBondContact O-N 3.35Å; L162-C164 VanDerWaalsContact C-N 3.26Å; L162-C164 PolarHBondContact O-N 2.84Å
165	E	85.5	Confident	72.7	Confident	94 Å²	94	72.8 Å²	72.8	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-72.4	-37.5	-177.5	-70	168.6	-171.8	0	0	113.1	C142 P161 L162 I167 Y168 S169	C142-E165 HydrophobicContact CB-CG 4.45Å; P161-E165 WeakPolarHBondContact O-CB 3.42Å; P161-E165 WeakPolarHBondContact O-CG 3.4Å; P161-E165 PolarHBondContact O-N 3.48Å; L162-E165 PolarHBondContact O-N 3.13Å; E165-I167 PolarHBondContact O-N 2.76Å; E165-I167 VanDerWaalsContact O-N 3.14Å; E165-Y168 WeakPolarHBondContact O-CA 3.38Å; E165-Y168 VanDerWaalsContact O-CB 3.29Å; E165-Y168 WeakPolarHBondContact O-CB 3.26Å; E165-Y168 PolarHBondContact O-N 3.38Å; E165-S169 PolarHBondContact O-N 2.97Å; E165-S169 PolarHBondContact O-OG 3.47Å
166	T	76	Confident	72.6	Confident	83 Å²	83	73.8 Å²	73.8	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-30.3	-176	-52.5	0	0	0	0	111.6	L162 G170	L162-T166 VanDerWaalsContact O-CB 3.31Å; L162-T166 WeakPolarHBondContact O-CB 3.37Å; L162-T166 PolarHBondContact O-N 3.09Å; L162-T166 PolarHBondContact O-OG1 3.19Å; T166-G170 PolarHBondContact O-N 3.29Å
167	I	63.9	Low	71.9	Confident	46 Å²	46	78.1 Å²	78.1	24%	0.236	42%	0.417	C	S	.	.	H	α-helix	trans	-79.1	-26.4	178.8	-56.3	-169.5	0	0	0	111.2	K116 F158 E165	K116-I167 HydrophobicContact CB-CG2 4.17Å; K116-I167 HydrophobicContact CD-CD1 3.68Å; K116-I167 HydrophobicContact CD-CG2 4Å; K116-I167 HydrophobicContact CG-CG2 4.3Å; F158-I167 HydrophobicContact CE1-CD1 3.48Å; F158-I167 VanDerWaalsContact CE1-CD1 3.48Å; F158-I167 HydrophobicContact CE1-CG1 4.44Å; F158-I167 HydrophobicContact CZ-CD1 3.96Å; E165-I167 PolarHBondContact O-N 2.76Å; E165-I167 VanDerWaalsContact O-N 3.14Å
168	Y	61.2	Low	71	Confident	68 Å²	68	81.5 Å²	81.5	27%	0.267	44%	0.435	S	S	.	.	H	α-helix	trans	-70.4	-43.9	171.3	174.9	-98.8	0	0	0	111.7	Y135 E165 G170 K171 Q172	Y135-Y168 HydrophobicContact CD2-CD2 4.41Å; Y135-Y168 AromaticContact CE2-CD2 3.51Å; Y135-Y168 HydrophobicContact CE2-CD2 3.51Å; Y135-Y168 HydrophobicContact CE2-CE2 4.02Å; Y135-Y168 HydrophobicContact CE2-CG 4.08Å; Y135-Y168 AromaticContact CZ-CD2 3.63Å; Y135-Y168 AromaticContact CZ-CE2 3.87Å; Y135-Y168 WeakPolarHBondContact OH-CD2 3.48Å; Y135-Y168 WeakPolarHBondContact OH-CE2 3.28Å; E165-Y168 WeakPolarHBondContact O-CA 3.38Å; E165-Y168 VanDerWaalsContact O-CB 3.29Å; E165-Y168 WeakPolarHBondContact O-CB 3.26Å; E165-Y168 PolarHBondContact O-N 3.38Å; Y168-G170 PolarHBondContact O-N 2.71Å; Y168-G170 VanDerWaalsContact O-N 3.16Å; Y168-K171 WeakPolarHBondContact O-CB 3.45Å; Y168-K171 PolarHBondContact O-N 3.01Å; Y168-Q172 PolarHBondContact OH-NE2 2.79Å
169	S	56.2	Low	70	Confident	77 Å²	77	85.4 Å²	85.4	54%	0.538	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-25.8	177.8	-59.3	0	0	0	0	113.3	E165 K171 Q172	E165-S169 PolarHBondContact O-N 2.97Å; E165-S169 PolarHBondContact O-OG 3.47Å; S169-K171 PolarHBondContact O-N 2.68Å; S169-Q172 PolarHBondContact O-N 3.33Å
170	G	54.4	Low	68.7	Low	58 Å²	58	84.5 Å²	84.5	60%	0.598	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.1	172.8	0	0	0	0	0	115.2	T166 Y168	T166-G170 PolarHBondContact O-N 3.29Å; Y168-G170 PolarHBondContact O-N 2.71Å; Y168-G170 VanDerWaalsContact O-N 3.16Å
171	K	51.2	Low	67.1	Low	94 Å²	94	85.1 Å²	85.1	41%	0.409	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-11.8	175.6	-71.4	-174.4	177.1	171.7	0	114.1	Y168 S169	Y168-K171 WeakPolarHBondContact O-CB 3.45Å; Y168-K171 PolarHBondContact O-N 3.01Å; S169-K171 PolarHBondContact O-N 2.68Å
172	Q	42.2	Very low	65.2	Low	144 Å²	144	88.3 Å²	88.3	67%	0.673	47%	0.47	S	S	*	.			trans	-95.1	12.4	177.2	-70.7	-164	-7.3	0	0	113.3	Y168 S169	Y168-Q172 PolarHBondContact OH-NE2 2.79Å; S169-Q172 PolarHBondContact O-N 3.33Å
173	K	31.1	Very low	63.1	Low	257 Å²	257	85.9 Å²	85.9	100%	1.117	46%	0.458	S	S	*	.			trans	-115.9	0	172.3	-98.9	-172.7	176.1	-176.9	0	111.3

Retrieved 173 of 173 residues in 33 ms (Link to these results)

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