A0A077Z907_TRITR Loading...

CwfJ C 2 and CwfJ C 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z907, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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	25.2	Very low	31.4	Very low	227 Å²	227	66.4 Å²	66.4	100%	1.118	31%	0.314	S	S	*	.				0	105	0	-74.6	175.3	164.7	0	0	106.9
2	S	24.2	Very low	31.1	Very low	50 Å²	50	63.8 Å²	63.8	35%	0.35	32%	0.318	S	S	.	.			trans	166.3	141.1	154.2	57.6	0	0	0	0	108.9	E127	S2-E127 VanDerWaalsContact CB-OE2 3.29Å; S2-E127 WeakPolarHBondContact CB-OE2 3.46Å; S2-E127 PolarHBondContact OG-OE2 2.64Å
3	W	30.2	Very low	31.3	Very low	96 Å²	96	62.8 Å²	62.8	36%	0.364	31%	0.314	S	S	.	.			trans	-123.1	143.5	-164.6	-69.6	70.2	0	0	0	109.8	E31 P132	W3-E31 HydrophobicContact CH2-CG 3.86Å; W3-E31 VanDerWaalsContact CH2-OE1 3.29Å; W3-E31 WeakPolarHBondContact CH2-OE1 3.32Å; W3-E31 HydrophobicContact CZ2-CG 3.95Å; W3-E31 WeakPolarHBondContact CZ2-OE1 3.37Å; W3-E31 HydrophobicContact CZ3-CG 4.14Å; W3-P132 VanDerWaalsContact CD1-CB 3.42Å; W3-P132 HydrophobicContact CG-CB 4.18Å
4	W	25.9	Very low	31.1	Very low	16 Å²	16	74.6 Å²	74.6	6%	0.061	35%	0.352	C	S	.	.			trans	-114.1	136	173.1	-61	88.9	0	0	0	110.1	L29 S108 I124 E127	W4-L29 HydrophobicContact CB-CD1 3.78Å; W4-L29 HydrophobicContact CB-CG 4.12Å; W4-L29 HydrophobicContact CG-CD1 3.84Å; W4-S108 WeakPolarHBondContact CH2-OG 3.45Å; W4-S108 VanDerWaalsContact CZ3-CB 3.44Å; W4-I124 HydrophobicContact CE3-CD1 4.36Å; W4-I124 HydrophobicContact CZ3-CB 4.49Å; W4-I124 HydrophobicContact CZ3-CD1 3.87Å; W4-E127 HydrophobicContact CH2-CG 4.09Å; W4-E127 VanDerWaalsContact CZ2-CD 3.5Å; W4-E127 HydrophobicContact CZ2-CG 4.09Å; W4-E127 WeakPolarHBondContact CZ2-OE1 3.28Å
5	S	33.6	Very low	31	Very low	25 Å²	25	86.9 Å²	86.9	18%	0.175	39%	0.394	C	S	.	.			trans	-138.5	108.1	156.5	-89.7	0	0	0	0	108.4	C26 F110	S5-C26 PolarHBondContact OG-SG 2.83Å; S5-F110 WeakPolarHBondContact O-CD2 3.46Å; S5-F110 WeakPolarHBondContact O-CE2 3.48Å
6	L	39.6	Very low	31	Very low	4 Å²	4	84.7 Å²	84.7	2%	0.021	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-95	117.8	162.9	-132.6	70.7	0	0	0	105.5	L8 V27 I103 Y109	L6-L8 HydrophobicContact CB-CG 4.36Å; L6-L8 HydrophobicContact CD2-CD1 3.39Å; L6-L8 HydrophobicContact CD2-CD2 4.35Å; L6-L8 HydrophobicContact CD2-CG 3.63Å; L6-L8 HydrophobicContact CG-CD1 4.26Å; L6-L8 HydrophobicContact CG-CG 3.97Å; L6-L8 PolarHBondContact O-N 2.61Å; L6-V27 HydrophobicContact CB-CB 4.06Å; L6-V27 HydrophobicContact CB-CG2 4.09Å; L6-V27 VanDerWaalsContact O-CB 3.3Å; L6-V27 WeakPolarHBondContact O-CB 3.3Å; L6-V27 VanDerWaalsContact O-CG2 3.28Å; L6-V27 WeakPolarHBondContact O-CG2 3.48Å; L6-V27 PolarHBondContact O-N 3.48Å; L6-I103 HydrophobicContact CD2-CB 4.24Å; L6-I103 HydrophobicContact CD2-CD1 4.39Å; L6-I103 HydrophobicContact CD2-CG1 3.79Å; L6-I103 HydrophobicContact CD2-CG2 3.72Å; L6-Y109 HydrophobicContact CD1-CD1 4.1Å; L6-Y109 HydrophobicContact CD1-CD2 3.59Å; L6-Y109 HydrophobicContact CD1-CE1 3.94Å; L6-Y109 HydrophobicContact CD1-CE2 3.43Å; L6-Y109 VanDerWaalsContact CD1-CE2 3.43Å; L6-Y109 HydrophobicContact CD1-CG 3.93Å; L6-Y109 WeakPolarHBondContact CD1-O 3.37Å; L6-Y109 HydrophobicContact CD2-CE1 4.22Å; L6-Y109 HydrophobicContact CD2-CE2 4.21Å; L6-Y109 WeakPolarHBondContact CD2-OH 3.5Å; L6-Y109 HydrophobicContact CG-CD2 4.46Å; L6-Y109 HydrophobicContact CG-CE2 3.84Å
7	V	38.9	Very low	30.8	Very low	10 Å²	10	89.9 Å²	89.9	6%	0.061	43%	0.432	C	S	.	.			trans	-86.5	89	164.3	169.6	0	0	0	0	105.7	F25 A111 V112 H113	V7-F25 VanDerWaalsContact CA-O 3.25Å; V7-F25 WeakPolarHBondContact CA-O 3.08Å; V7-F25 WeakPolarHBondContact CB-O 3.01Å; V7-F25 VanDerWaalsContact CG1-O 3.24Å; V7-F25 WeakPolarHBondContact CG1-O 2.89Å; V7-F25 WeakPolarHBondContact CG2-O 3.39Å; V7-A111 WeakPolarHBondContact CA-O 3.43Å; V7-A111 WeakPolarHBondContact CB-O 3.44Å; V7-A111 PolarHBondContact N-O 2.75Å; V7-V112 HydrophobicContact CG2-CG2 4.35Å; V7-H113 PolarHBondContact O-CD2 3.37Å; V7-H113 VanDerWaalsContact O-CD2 3.23Å
8	L	36.1	Very low	30.9	Very low	10 Å²	10	95.1 Å²	95.1	5%	0.052	46%	0.461	C	S	.	.			trans	-92.7	135.9	174.5	-82.4	176	0	0	0	111.7	L6 V10 M101 N102 I103	L6-L8 HydrophobicContact CB-CG 4.36Å; L6-L8 HydrophobicContact CD2-CD1 3.39Å; L6-L8 HydrophobicContact CD2-CD2 4.35Å; L6-L8 HydrophobicContact CD2-CG 3.63Å; L6-L8 HydrophobicContact CG-CD1 4.26Å; L6-L8 HydrophobicContact CG-CG 3.97Å; L6-L8 PolarHBondContact O-N 2.61Å; L8-V10 PolarHBondContact O-N 3.1Å; L8-M101 WeakPolarHBondContact CD1-O 3.37Å; L8-N102 WeakPolarHBondContact CD1-O 3.28Å; L8-I103 HydrophobicContact CD1-CB 4.13Å; L8-I103 HydrophobicContact CD1-CG1 3.4Å; L8-I103 VanDerWaalsContact CD1-CG1 3.4Å
9	N	31.3	Very low	31	Very low	49 Å²	49	93.7 Å²	93.7	26%	0.262	48%	0.475	S	S	.	.			trans	-69.9	116.6	165.8	-174.9	-7.6	0	0	0	109.1	R11 G115	N9-R11 VanDerWaalsContact C-N 3.33Å; N9-R11 PolarHBondContact O-N 3.49Å; N9-G115 PolarHBondContact ND2-O 3.36Å
10	V	31.7	Very low	31.4	Very low	31 Å²	31	93.1 Å²	93.1	19%	0.188	49%	0.493	C	S	.	.			trans	-69	92.5	168.2	-174	0	0	0	0	107.7	L8 G12 I13 F25 I81	L8-V10 PolarHBondContact O-N 3.1Å; V10-G12 PolarHBondContact O-N 3.42Å; V10-I13 PolarHBondContact O-N 3.27Å; V10-F25 HydrophobicContact CG2-CD1 4.39Å; V10-I81 HydrophobicContact CG2-CD1 3.25Å; V10-I81 HydrophobicContact CG2-CG1 4.37Å
11	R	29.3	Very low	32	Very low	212 Å²	212	91.7 Å²	91.7	80%	0.8	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-1.3	174.2	-98.7	-179.9	166.4	164.1	-2.8	114.5	N9	N9-R11 VanDerWaalsContact C-N 3.33Å; N9-R11 PolarHBondContact O-N 3.49Å
12	G	26.9	Very low	33.3	Very low	35 Å²	35	88.7 Å²	88.7	36%	0.361	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.9	172.4	0	0	0	0	0	115.6	V10 R14	V10-G12 PolarHBondContact O-N 3.42Å; G12-R14 PolarHBondContact O-N 2.89Å
13	I	34.3	Very low	34.8	Very low	52 Å²	52	87.8 Å²	87.8	27%	0.267	46%	0.464	S	S	.	.	S	Bend	trans	-75	82.9	171.6	-55.9	178	0	0	0	108	V10 R15 F25 W172 Y175	V10-I13 PolarHBondContact O-N 3.27Å; I13-R15 PolarHBondContact O-N 2.92Å; I13-R15 VanDerWaalsContact O-N 3.12Å; I13-F25 HydrophobicContact CD1-CE2 4.49Å; I13-F25 HydrophobicContact CD1-CZ 4.17Å; I13-W172 HydrophobicContact CD1-CH2 3.89Å; I13-W172 HydrophobicContact CD1-CZ3 3.63Å; I13-W172 HydrophobicContact CG1-CH2 3.98Å; I13-W172 HydrophobicContact CG1-CZ3 4.16Å; I13-Y175 HydrophobicContact CG2-CD1 3.52Å; I13-Y175 HydrophobicContact CG2-CE1 4.05Å; I13-Y175 HydrophobicContact CG2-CG 4.13Å
14	R	28.5	Very low	35.9	Very low	227 Å²	227	84.6 Å²	84.6	86%	0.857	46%	0.456	S	S	*	.			trans	-51.3	119	174.5	-73.7	-172	179.2	-140.7	0.2	109.3	G12 G16	G12-R14 PolarHBondContact O-N 2.89Å; R14-G16 PolarHBondContact O-N 3.01Å
15	R	28.7	Very low	37.4	Very low	260 Å²	260	84.6 Å²	84.6	98%	0.981	46%	0.456	S	S	*	.			trans	14.3	89.4	154.9	-67	-176.5	-179.9	-168.1	-0.1	114.2	I13	I13-R15 PolarHBondContact O-N 2.92Å; I13-R15 VanDerWaalsContact O-N 3.12Å
16	G	31.1	Very low	38.8	Very low	51 Å²	51	83.9 Å²	83.9	53%	0.526	45%	0.452	S	S	.	.			trans	-138.9	128	164.7	0	0	0	0	0	107.7	R14	R14-G16 PolarHBondContact O-N 3.01Å
17	L	28.8	Very low	39.6	Very low	173 Å²	173	83.8 Å²	83.8	91%	0.906	45%	0.451	S	S	*	.			trans	-53.8	142.2	-170.8	-77.1	94.8	0	0	0	113.5	G19	L17-G19 PolarHBondContact O-N 3.16Å
18	L	32.5	Very low	40.6	Very low	183 Å²	183	84.2 Å²	84.2	96%	0.958	45%	0.454	S	S	*	.			trans	-25.5	115.8	156.2	-67.6	160.1	0	0	0	113.1
19	G	32.7	Very low	41.6	Very low	70 Å²	70	84.5 Å²	84.5	72%	0.722	46%	0.456	S	S	*	.			trans	-155	45	170.9	0	0	0	0	0	111.2	L17 S21	L17-G19 PolarHBondContact O-N 3.16Å; G19-S21 PolarHBondContact O-N 3.4Å; G19-S21 VanDerWaalsContact O-N 3.12Å
20	G	39.1	Very low	42.6	Very low	81 Å²	81	83 Å²	83	84%	0.835	45%	0.45	S	S	*	.	S	Bend	trans	78.9	-15.2	164.4	0	0	0	0	0	119.3	Q22	G20-Q22 PolarHBondContact O-N 2.85Å; G20-Q22 VanDerWaalsContact O-N 3.14Å
21	S	42.6	Very low	43.6	Very low	63 Å²	63	86.7 Å²	86.7	44%	0.441	46%	0.464	S	S	.	.			trans	-86.2	86.9	178.4	61.3	0	0	0	0	111.5	G19 F23	G19-S21 PolarHBondContact O-N 3.4Å; G19-S21 VanDerWaalsContact O-N 3.12Å; S21-F23 PolarHBondContact O-N 3.43Å
22	Q	53.2	Low	44.6	Very low	165 Å²	165	81 Å²	81	77%	0.771	45%	0.45	S	S	*	.			trans	-80.2	104.5	168.9	-65.6	-173.1	7.5	0	0	108.7	G20	G20-Q22 PolarHBondContact O-N 2.85Å; G20-Q22 VanDerWaalsContact O-N 3.14Å
23	F	55.2	Low	45.8	Very low	31 Å²	31	87 Å²	87	14%	0.136	47%	0.466	C	S	.	.			trans	-79.5	133.5	169.8	-62.4	-70.8	0	0	0	109.4	S21 F25 F168 Q171 Y175	S21-F23 PolarHBondContact O-N 3.43Å; F23-F25 HydrophobicContact CB-CD2 4.25Å; F23-F25 HydrophobicContact CB-CE1 4.47Å; F23-F25 HydrophobicContact CB-CE2 3.47Å; F23-F25 VanDerWaalsContact CB-CE2 3.47Å; F23-F25 HydrophobicContact CB-CZ 3.59Å; F23-F25 HydrophobicContact CG-CZ 4.3Å; F23-F168 HydrophobicContact CD1-CD2 4.45Å; F23-F168 AromaticContact CD1-CE2 3.5Å; F23-F168 HydrophobicContact CD1-CE2 3.5Å; F23-F168 AromaticContact CD1-CZ 3.75Å; F23-F168 HydrophobicContact CD1-CZ 3.75Å; F23-F168 HydrophobicContact CE1-CD2 4.29Å; F23-F168 AromaticContact CE1-CE2 3.71Å; F23-F168 HydrophobicContact CE1-CE2 3.71Å; F23-F168 AromaticContact CE1-CZ 3.98Å; F23-F168 HydrophobicContact CE1-CZ 3.98Å; F23-Q171 HydrophobicContact CE1-CB 4.35Å; F23-Q171 HydrophobicContact CZ-CB 4.14Å; F23-Y175 HydrophobicContact CE2-CD2 4.21Å; F23-Y175 HydrophobicContact CE2-CE2 4.09Å
24	S	54.1	Low	46.9	Very low	29 Å²	29	90.6 Å²	90.6	20%	0.203	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.4	172.1	-178.3	0	0	0	0	108.6	G77 H78 C79	S24-G77 PolarHBondContact N-O 2.83Å; S24-H78 WeakPolarHBondContact O-CA 2.95Å; S24-C79 PolarHBondContact O-N 3.27Å; S24-C79 PolarHBondContact O-SG 2.88Å; S24-C79 VanDerWaalsContact O-SG 3.36Å
25	F	57	Low	48.4	Very low	15 Å²	15	88.1 Å²	88.1	7%	0.066	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.4	-178.8	-63.1	-86.6	0	0	0	110	V7 V10 I13 F23 L66 C79 I81 W172	V7-F25 VanDerWaalsContact CA-O 3.25Å; V7-F25 WeakPolarHBondContact CA-O 3.08Å; V7-F25 WeakPolarHBondContact CB-O 3.01Å; V7-F25 VanDerWaalsContact CG1-O 3.24Å; V7-F25 WeakPolarHBondContact CG1-O 2.89Å; V7-F25 WeakPolarHBondContact CG2-O 3.39Å; V10-F25 HydrophobicContact CG2-CD1 4.39Å; I13-F25 HydrophobicContact CD1-CE2 4.49Å; I13-F25 HydrophobicContact CD1-CZ 4.17Å; F23-F25 HydrophobicContact CB-CD2 4.25Å; F23-F25 HydrophobicContact CB-CE1 4.47Å; F23-F25 HydrophobicContact CB-CE2 3.47Å; F23-F25 VanDerWaalsContact CB-CE2 3.47Å; F23-F25 HydrophobicContact CB-CZ 3.59Å; F23-F25 HydrophobicContact CG-CZ 4.3Å; F25-L66 HydrophobicContact CD1-CD1 3.98Å; F25-L66 HydrophobicContact CE1-CD1 4.01Å; F25-C79 CarbonylContact C-O 3.58Å; F25-C79 WeakPolarHBondContact CA-O 3.47Å; F25-C79 WeakPolarHBondContact CD1-SG 3.38Å; F25-C79 WeakPolarHBondContact CE1-SG 3.25Å; F25-I81 HydrophobicContact CB-CD1 4.1Å; F25-I81 HydrophobicContact CD1-CD1 4.02Å; F25-I81 HydrophobicContact CD1-CG1 4.13Å; F25-I81 HydrophobicContact CG-CD1 4.35Å; F25-W172 HydrophobicContact CE1-CZ3 4.33Å; F25-W172 HydrophobicContact CZ-CH2 4.47Å; F25-W172 AromaticContact CZ-CZ3 3.99Å; F25-W172 HydrophobicContact CZ-CZ3 3.99Å
26	C	62.5	Low	50.1	Low	11 Å²	11	78 Å²	78	7%	0.074	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.4	174.6	-179	0	0	0	0	110	S5 C28 C79 C80 I81	S5-C26 PolarHBondContact OG-SG 2.83Å; C26-C28 PolarHBondContact O-N 2.92Å; C26-C28 VanDerWaalsContact SG-SG 3.7Å; C26-C79 PolarHBondContact N-O 3.09Å; C26-C80 CarbonylContact O-C 3.48Å; C26-C80 WeakPolarHBondContact O-CA 3.35Å; C26-I81 PolarHBondContact O-N 3.4Å
27	V	58.1	Low	52	Low	1 Å²	1	81.5 Å²	81.5	1%	0.006	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.5	166.7	173.3	0	0	0	0	108.6	L6 L29 I81 M101	L6-V27 HydrophobicContact CB-CB 4.06Å; L6-V27 HydrophobicContact CB-CG2 4.09Å; L6-V27 VanDerWaalsContact O-CB 3.3Å; L6-V27 WeakPolarHBondContact O-CB 3.3Å; L6-V27 VanDerWaalsContact O-CG2 3.28Å; L6-V27 WeakPolarHBondContact O-CG2 3.48Å; L6-V27 PolarHBondContact O-N 3.48Å; V27-L29 HydrophobicContact CG1-CD2 3.75Å; V27-L29 HydrophobicContact CG1-CG 4.29Å; V27-I81 WeakPolarHBondContact CA-O 3.19Å; V27-I81 HydrophobicContact CG2-CB 4.46Å; V27-M101 HydrophobicContact CB-CE 4.28Å; V27-M101 HydrophobicContact CG1-CE 3.47Å; V27-M101 VanDerWaalsContact CG1-CE 3.47Å; V27-M101 HydrophobicContact CG2-CE 3.84Å
28	C	59	Low	54.4	Low	19 Å²	19	78.5 Å²	78.5	13%	0.128	43%	0.426	C	S	.	.			trans	-101.7	114.4	177.7	-62.3	0	0	0	0	110.2	C26 C80 I81 I82	C26-C28 PolarHBondContact O-N 2.92Å; C26-C28 VanDerWaalsContact SG-SG 3.7Å; C28-C80 HydrophobicContact CB-CB 4.38Å; C28-C80 PolarHBondContact SG-SG 3.48Å; C28-I81 PolarHBondContact N-O 3.02Å; C28-I82 HydrophobicContact CB-CD1 4.49Å; C28-I82 HydrophobicContact CB-CG1 4.21Å
29	L	57	Low	56.5	Low	16 Å²	16	71.3 Å²	71.3	8%	0.084	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-98.4	157.2	170.2	-52.2	-167.5	0	0	0	110	W4 V27 P83 V87 S89 C90 M93	W4-L29 HydrophobicContact CB-CD1 3.78Å; W4-L29 HydrophobicContact CB-CG 4.12Å; W4-L29 HydrophobicContact CG-CD1 3.84Å; V27-L29 HydrophobicContact CG1-CD2 3.75Å; V27-L29 HydrophobicContact CG1-CG 4.29Å; L29-P83 HydrophobicContact CD2-CG 3.92Å; L29-V87 HydrophobicContact CD2-CG2 3.99Å; L29-S89 VanDerWaalsContact CD1-C 3.41Å; L29-S89 VanDerWaalsContact CD1-CA 3.49Å; L29-C90 VanDerWaalsContact CD1-N 3.28Å; L29-M93 HydrophobicContact CD1-CE 4.21Å; L29-M93 HydrophobicContact CD2-CE 3.17Å; L29-M93 HydrophobicContact CG-CE 4.34Å
30	S	52.7	Low	58.7	Low	19 Å²	19	70.3 Å²	70.3	13%	0.133	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-88.1	138.6	-173.1	-166.7	0	0	0	0	111.5	C43 H86 V87	S30-C43 PolarHBondContact OG-SG 3.46Å; S30-H86 WeakPolarHBondContact CB-CE1 3.41Å; S30-H86 WeakPolarHBondContact CB-ND1 3.33Å; S30-H86 PolarHBondContact OG-CE1 2.86Å; S30-H86 PolarHBondContact OG-ND1 2.92Å; S30-H86 VanDerWaalsContact OG-ND1 3.09Å; S30-V87 PolarHBondContact N-O 3.29Å
31	E	52.8	Low	60.8	Low	107 Å²	107	73.5 Å²	73.5	50%	0.5	35%	0.353	S	S	.	.	S	Bend	trans	-65.2	141.2	170.4	-60.1	-175.3	98.8	0	0	109.1	W3 H86	W3-E31 HydrophobicContact CH2-CG 3.86Å; W3-E31 VanDerWaalsContact CH2-OE1 3.29Å; W3-E31 WeakPolarHBondContact CH2-OE1 3.32Å; W3-E31 HydrophobicContact CZ2-CG 3.95Å; W3-E31 WeakPolarHBondContact CZ2-OE1 3.37Å; W3-E31 HydrophobicContact CZ3-CG 4.14Å; E31-H86 PolarHBondContact O-CE1 3.48Å
32	N	50.7	Low	62.8	Low	94 Å²	94	76.6 Å²	76.6	50%	0.503	36%	0.358	S	S	.	.			trans	98.6	115.3	178.4	-51.2	-62.5	0	0	0	115	E34 I39 H86	N32-E34 VanDerWaalsContact C-N 3.32Å; N32-I39 HydrophobicContact CB-CD1 3.78Å; N32-I39 HydrophobicContact CB-CG2 3.65Å; N32-H86 PolarHBondContact O-NE2 3.1Å
33	F	51.9	Low	64.3	Low	159 Å²	159	69.2 Å²	69.2	70%	0.697	32%	0.324	S	S	*	.	S	Bend	trans	-69	-28.7	175.1	-179.3	-98	0	0	0	112.5	R35	F33-R35 PolarHBondContact O-N 3.12Å
34	E	55.9	Low	65.7	Low	129 Å²	129	70.5 Å²	70.5	60%	0.603	34%	0.335	S	S	*	.			trans	-80.1	113.6	-179.6	-69.3	179.3	-169.1	0	0	109.6	N32 S36 I39	N32-E34 VanDerWaalsContact C-N 3.32Å; E34-S36 PolarHBondContact O-N 3.09Å; E34-I39 HydrophobicContact CB-CD1 4.13Å
35	R	60.1	Low	67.2	Low	175 Å²	175	72.2 Å²	72.2	66%	0.66	34%	0.337	S	S	*	.			trans	-68	46	163.1	-153.8	170.2	-165	161.6	3.7	110.2	F33 L40	F33-R35 PolarHBondContact O-N 3.12Å; R35-L40 HydrophobicContact CG-CD1 3.94Å; R35-L40 HydrophobicContact CG-CD2 4.25Å; R35-L40 HydrophobicContact CG-CG 4.47Å
36	S	64.2	Low	68.6	Low	47 Å²	47	72 Å²	72	33%	0.329	34%	0.338	S	S	.	.			trans	-73.1	129.8	174.6	174.7	0	0	0	0	107.8	E34 H38 I39 L40	E34-S36 PolarHBondContact O-N 3.09Å; S36-H38 PolarHBondContact O-N 2.82Å; S36-I39 WeakPolarHBondContact O-CB 3.19Å; S36-I39 PolarHBondContact O-N 2.85Å; S36-L40 PolarHBondContact O-N 2.66Å
37	E	72.4	Confident	69.7	Low	124 Å²	124	75.6 Å²	75.6	58%	0.579	35%	0.352	S	S	*	.	H	α-helix	trans	-53.7	-34.5	-177.5	-167	-175.1	-178.4	0	0	112.1	L40 R41	E37-L40 PolarHBondContact O-N 2.83Å; E37-R41 WeakPolarHBondContact O-CB 3.39Å; E37-R41 VanDerWaalsContact O-CG 3.24Å; E37-R41 WeakPolarHBondContact O-CG 3.17Å; E37-R41 PolarHBondContact O-N 3.16Å; E37-R41 IonicContact OE1-CZ 3.99Å; E37-R41 VanDerWaalsContact OE1-CZ 3.32Å; E37-R41 IonicContact OE1-NE 3.26Å; E37-R41 PolarHBondContact OE1-NE 3.05Å; E37-R41 IonicContact OE1-NH2 2.69Å; E37-R41 PolarHBondContact OE1-NH2 2.68Å; E37-R41 IonicContact OE2-NH2 3.13Å
38	H	79.4	Confident	70.9	Confident	111 Å²	111	79.5 Å²	79.5	51%	0.514	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-39.7	177	176.7	-86.7	0	0	0	112.9	S36 K42	S36-H38 PolarHBondContact O-N 2.82Å; H38-K42 VanDerWaalsContact CE1-CE 3.41Å; H38-K42 WeakPolarHBondContact CE1-CE 3.24Å; H38-K42 PolarHBondContact CE1-NZ 3.2Å; H38-K42 WeakPolarHBondContact NE2-CE 3.17Å; H38-K42 PolarHBondContact NE2-NZ 3.08Å; H38-K42 PolarHBondContact O-N 3.38Å
39	I	75.7	Confident	72.2	Confident	31 Å²	31	78.7 Å²	78.7	16%	0.159	39%	0.388	C	S	.	.	H	α-helix	trans	-69.2	-45.8	178.1	-64.9	178.9	0	0	0	109.7	N32 E34 S36 R41 K42 C43	N32-I39 HydrophobicContact CB-CD1 3.78Å; N32-I39 HydrophobicContact CB-CG2 3.65Å; E34-I39 HydrophobicContact CB-CD1 4.13Å; S36-I39 WeakPolarHBondContact O-CB 3.19Å; S36-I39 PolarHBondContact O-N 2.85Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 3.06Å; I39-K42 PolarHBondContact O-N 2.88Å; I39-C43 PolarHBondContact O-N 2.7Å
40	L	79.9	Confident	73.6	Confident	50 Å²	50	83.3 Å²	83.3	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-57.6	-41.1	177	-63.9	178.7	0	0	0	111.9	R35 S36 E37 K42 S49 H86	R35-L40 HydrophobicContact CG-CD1 3.94Å; R35-L40 HydrophobicContact CG-CD2 4.25Å; R35-L40 HydrophobicContact CG-CG 4.47Å; S36-L40 PolarHBondContact O-N 2.66Å; E37-L40 PolarHBondContact O-N 2.83Å; L40-K42 VanDerWaalsContact C-N 3.28Å; L40-K42 PolarHBondContact O-N 2.82Å; L40-S49 WeakPolarHBondContact O-CB 3.49Å; L40-H86 HydrophobicContact CD2-CB 3.27Å
41	R	82	Confident	75.3	Confident	148 Å²	148	85.1 Å²	85.1	56%	0.558	43%	0.433	S	S	*	.	H	α-helix	trans	-65	-28.2	178.2	-76.1	174.1	-178	-165.9	2.2	113.2	E37 I39 S49	E37-R41 WeakPolarHBondContact O-CB 3.39Å; E37-R41 VanDerWaalsContact O-CG 3.24Å; E37-R41 WeakPolarHBondContact O-CG 3.17Å; E37-R41 PolarHBondContact O-N 3.16Å; E37-R41 IonicContact OE1-CZ 3.99Å; E37-R41 VanDerWaalsContact OE1-CZ 3.32Å; E37-R41 IonicContact OE1-NE 3.26Å; E37-R41 PolarHBondContact OE1-NE 3.05Å; E37-R41 IonicContact OE1-NH2 2.69Å; E37-R41 PolarHBondContact OE1-NH2 2.68Å; E37-R41 IonicContact OE2-NH2 3.13Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 3.06Å; R41-S49 PolarHBondContact O-OG 2.93Å
42	K	84.3	Confident	77	Confident	127 Å²	127	80.7 Å²	80.7	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-99.9	-7.8	-178.1	-66.7	-172	-176.3	-179.2	0	114.9	H38 I39 L40 V44	H38-K42 VanDerWaalsContact CE1-CE 3.41Å; H38-K42 WeakPolarHBondContact CE1-CE 3.24Å; H38-K42 PolarHBondContact CE1-NZ 3.2Å; H38-K42 WeakPolarHBondContact NE2-CE 3.17Å; H38-K42 PolarHBondContact NE2-NZ 3.08Å; H38-K42 PolarHBondContact O-N 3.38Å; I39-K42 PolarHBondContact O-N 2.88Å; L40-K42 VanDerWaalsContact C-N 3.28Å; L40-K42 PolarHBondContact O-N 2.82Å; K42-V44 PolarHBondContact O-N 3.3Å
43	C	84.6	Confident	78.9	Confident	10 Å²	10	78.6 Å²	78.6	7%	0.068	40%	0.401	C	S	.	.			trans	-66.4	123.3	-177.9	177.8	0	0	0	0	112	S30 I39 Y45 C46 S49	S30-C43 PolarHBondContact OG-SG 3.46Å; I39-C43 PolarHBondContact O-N 2.7Å; C43-Y45 PolarHBondContact O-N 2.79Å; C43-Y45 VanDerWaalsContact O-N 3.14Å; C43-Y45 PolarHBondContact SG-N 3.14Å; C43-Y45 VanDerWaalsContact SG-N 3.36Å; C43-C46 HydrophobicContact CB-CB 3.86Å; C43-C46 WeakPolarHBondContact CB-SG 3.25Å; C43-C46 PolarHBondContact O-N 3.23Å; C43-C46 PolarHBondContact SG-N 3.13Å; C43-C46 VanDerWaalsContact SG-N 3.35Å; C43-C46 PolarHBondContact SG-SG 3.31Å; C43-S49 WeakPolarHBondContact O-CB 3.5Å; C43-S49 PolarHBondContact O-OG 3.18Å
44	V	84.5	Confident	80.9	Confident	59 Å²	59	78 Å²	78	36%	0.358	40%	0.398	S	S	.	.	S	Bend	trans	-70.2	-8	179.6	-61.8	0	0	0	0	114.3	K42 M52	K42-V44 PolarHBondContact O-N 3.3Å; V44-M52 WeakPolarHBondContact O-CA 2.96Å
45	Y	86.2	Confident	82.7	Confident	64 Å²	64	73.8 Å²	73.8	25%	0.251	38%	0.378	S	S	.	.	S	Bend	trans	-113.8	-16.9	-177.7	-60.9	-56	0	0	0	113.7	C43 F47 Y65 I82	C43-Y45 PolarHBondContact O-N 2.79Å; C43-Y45 VanDerWaalsContact O-N 3.14Å; C43-Y45 PolarHBondContact SG-N 3.14Å; C43-Y45 VanDerWaalsContact SG-N 3.36Å; Y45-F47 PolarHBondContact O-N 2.84Å; Y45-Y65 WeakPolarHBondContact CA-OH 3.26Å; Y45-Y65 PolarHBondContact O-OH 2.68Å; Y45-I82 HydrophobicContact CD1-CD1 3.58Å; Y45-I82 HydrophobicContact CE1-CD1 3.99Å; Y45-I82 HydrophobicContact CG-CD1 4.38Å
46	C	86.4	Confident	84.4	Confident	11 Å²	11	65.6 Å²	65.6	7%	0.074	35%	0.348	C	S	.	.			trans	-72.5	128.1	178.4	-71.8	0	0	0	0	110.6	C43 G48 S49 M52 H86	C43-C46 HydrophobicContact CB-CB 3.86Å; C43-C46 WeakPolarHBondContact CB-SG 3.25Å; C43-C46 PolarHBondContact O-N 3.23Å; C43-C46 PolarHBondContact SG-N 3.13Å; C43-C46 VanDerWaalsContact SG-N 3.35Å; C43-C46 PolarHBondContact SG-SG 3.31Å; C46-G48 PolarHBondContact O-N 3.28Å; C46-G48 VanDerWaalsContact O-N 3.14Å; C46-S49 WeakPolarHBondContact O-CB 3.45Å; C46-S49 PolarHBondContact O-N 3.13Å; C46-M52 WeakPolarHBondContact O-CB 3.39Å; C46-H86 WeakPolarHBondContact SG-CB 3.3Å; C46-H86 PolarHBondContact SG-ND1 2.81Å; C46-H86 VanDerWaalsContact SG-ND1 3.38Å
47	F	85.7	Confident	85.8	Confident	86 Å²	86	64.2 Å²	64.2	38%	0.377	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29	-177.6	-144	-86.7	0	0	0	113.1	Y45 M52 V60 Y65 R84	Y45-F47 PolarHBondContact O-N 2.84Å; F47-M52 HydrophobicContact CD2-CE 3.53Å; F47-M52 HydrophobicContact CD2-SD 4.17Å; F47-M52 HydrophobicContact CE2-CE 3.91Å; F47-M52 HydrophobicContact CG-CE 4.22Å; F47-M52 HydrophobicContact CG-SD 4.3Å; F47-V60 HydrophobicContact CE2-CG2 4.32Å; F47-V60 HydrophobicContact CZ-CG2 4.42Å; F47-Y65 HydrophobicContact CD2-CD1 4.05Å; F47-Y65 HydrophobicContact CD2-CE1 4.23Å; F47-Y65 HydrophobicContact CD2-CG 4.46Å; F47-Y65 HydrophobicContact CE2-CD1 4.5Å; F47-Y65 HydrophobicContact CE2-CG 4.46Å; F47-R84 PolarHBondContact N-O 3.14Å
48	G	83.2	Confident	86.8	Confident	83 Å²	83	58.9 Å²	58.9	86%	0.856	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.6	175.5	0	0	0	0	0	115.6	C46	C46-G48 PolarHBondContact O-N 3.28Å; C46-G48 VanDerWaalsContact O-N 3.14Å
49	S	87.2	Confident	87.3	Confident	3 Å²	3	54 Å²	54	2%	0.021	29%	0.292	C	S	.	.			trans	-77.3	143.3	179.9	174.4	0	0	0	0	111.9	L40 R41 C43 C46 C51 M52	L40-S49 WeakPolarHBondContact O-CB 3.49Å; R41-S49 PolarHBondContact O-OG 2.93Å; C43-S49 WeakPolarHBondContact O-CB 3.5Å; C43-S49 PolarHBondContact O-OG 3.18Å; C46-S49 WeakPolarHBondContact O-CB 3.45Å; C46-S49 PolarHBondContact O-N 3.13Å; S49-C51 PolarHBondContact O-N 3.14Å; S49-C51 PolarHBondContact OG-N 3.39Å; S49-M52 PolarHBondContact O-N 3.32Å
50	S	86.6	Confident	88	Confident	112 Å²	112	54.3 Å²	54.3	78%	0.783	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.4	169.3	55.8	0	0	0	0	113.3
51	C	88.1	Confident	88.4	Confident	57 Å²	57	52.3 Å²	52.3	39%	0.385	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.7	178.5	-62.2	0	0	0	0	113.3	S49 N53	S49-C51 PolarHBondContact O-N 3.14Å; S49-C51 PolarHBondContact OG-N 3.39Å; C51-N53 PolarHBondContact O-N 3.19Å
52	M	88.6	Confident	88.6	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.069	28%	0.282	C	S	.	.			trans	-66.4	131.5	-179.2	-167	-149.1	-174.7	0	0	111.8	V44 C46 F47 S49 K54 V57 Y65	V44-M52 WeakPolarHBondContact O-CA 2.96Å; C46-M52 WeakPolarHBondContact O-CB 3.39Å; F47-M52 HydrophobicContact CD2-CE 3.53Å; F47-M52 HydrophobicContact CD2-SD 4.17Å; F47-M52 HydrophobicContact CE2-CE 3.91Å; F47-M52 HydrophobicContact CG-CE 4.22Å; F47-M52 HydrophobicContact CG-SD 4.3Å; S49-M52 PolarHBondContact O-N 3.32Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 3.45Å; M52-K54 HydrophobicContact SD-CG 4.06Å; M52-V57 HydrophobicContact CE-CG2 3.75Å; M52-Y65 HydrophobicContact CE-CD2 4.42Å; M52-Y65 HydrophobicContact CE-CE1 4.05Å; M52-Y65 HydrophobicContact CE-CE2 3.7Å; M52-Y65 VanDerWaalsContact CE-CZ 3.49Å
53	N	91	Very high	88.8	Confident	50 Å²	50	46.8 Å²	46.8	27%	0.267	27%	0.268	S	S	.	.			trans	-78.2	73.7	176.4	-70.5	-67.8	0	0	0	111.8	C51 H55 L56	C51-N53 PolarHBondContact O-N 3.19Å; N53-H55 PolarHBondContact O-N 2.81Å; N53-H55 VanDerWaalsContact O-N 3.14Å; N53-H55 PolarHBondContact OD1-CE1 2.8Å; N53-L56 HydrophobicContact CB-CB 4.37Å; N53-L56 HydrophobicContact CB-CD1 3.53Å; N53-L56 HydrophobicContact CB-CG 3.94Å; N53-L56 WeakPolarHBondContact O-CB 3.38Å; N53-L56 PolarHBondContact O-N 2.87Å
54	K	92.9	Very high	89	Confident	146 Å²	146	46.7 Å²	46.7	64%	0.635	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-57.1	-31.2	-175.5	-63.2	-179.6	-176.7	-178.3	0	113.8	M52 L56 V57	M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 3.45Å; M52-K54 HydrophobicContact SD-CG 4.06Å; K54-L56 PolarHBondContact O-N 3.27Å; K54-V57 WeakPolarHBondContact O-CB 3.48Å; K54-V57 PolarHBondContact O-N 2.84Å
55	H	94.1	Very high	89.2	Confident	41 Å²	41	44.2 Å²	44.2	19%	0.19	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-70.7	-14.2	179.6	63.8	-72.1	0	0	0	113.9	N53 F158 Q161 L162 T165	N53-H55 PolarHBondContact O-N 2.81Å; N53-H55 VanDerWaalsContact O-N 3.14Å; N53-H55 PolarHBondContact OD1-CE1 2.8Å; H55-F158 HydrophobicContact CB-CE2 4.18Å; H55-F158 AromaticContact CD2-CD2 3.85Å; H55-F158 AromaticContact CD2-CE2 3.6Å; H55-F158 AromaticContact CE1-CD2 3.81Å; H55-F158 AromaticContact CE1-CE2 3.73Å; H55-F158 AromaticContact CG-CE2 3.55Å; H55-F158 AromaticContact ND1-CE2 3.66Å; H55-F158 AromaticContact NE2-CD2 3.57Å; H55-F158 AromaticContact NE2-CE2 3.71Å; H55-Q161 PolarHBondContact NE2-OE1 3.24Å; H55-L162 HydrophobicContact CB-CD2 3.76Å; H55-T165 VanDerWaalsContact O-CG2 3.3Å; H55-T165 WeakPolarHBondContact O-CG2 3.46Å
56	L	95.2	Very high	89.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-88.2	-9.5	175.7	-62.8	176.7	0	0	0	113.1	N53 K54 V58 A67 L68 P70 Q161	N53-L56 HydrophobicContact CB-CB 4.37Å; N53-L56 HydrophobicContact CB-CD1 3.53Å; N53-L56 HydrophobicContact CB-CG 3.94Å; N53-L56 WeakPolarHBondContact O-CB 3.38Å; N53-L56 PolarHBondContact O-N 2.87Å; K54-L56 PolarHBondContact O-N 3.27Å; L56-V58 PolarHBondContact O-N 3.21Å; L56-A67 CarbonylContact O-C 3.51Å; L56-A67 VanDerWaalsContact O-CA 3.28Å; L56-A67 WeakPolarHBondContact O-CA 3.43Å; L56-L68 HydrophobicContact CB-CB 4.49Å; L56-L68 WeakPolarHBondContact CD1-O 3.29Å; L56-L68 HydrophobicContact CD2-CB 4.31Å; L56-L68 PolarHBondContact O-N 2.65Å; L56-P70 HydrophobicContact CD1-CB 3.78Å; L56-Q161 HydrophobicContact CD2-CB 3.75Å; L56-Q161 HydrophobicContact CD2-CG 4.11Å
57	V	94.2	Very high	89.7	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.5	-179.5	179.4	0	0	0	0	110	M52 K54 V60 Y65 A67 K169	M52-V57 HydrophobicContact CE-CG2 3.75Å; K54-V57 WeakPolarHBondContact O-CB 3.48Å; K54-V57 PolarHBondContact O-N 2.84Å; V57-V60 HydrophobicContact CG1-CG2 3.59Å; V57-Y65 HydrophobicContact CG1-CD2 4.25Å; V57-Y65 HydrophobicContact CG2-CD2 4.16Å; V57-Y65 HydrophobicContact CG2-CE2 4.15Å; V57-A67 HydrophobicContact CG2-CB 4.48Å; V57-K169 WeakPolarHBondContact O-CE 3.27Å; V57-K169 PolarHBondContact O-NZ 3.18Å
58	V	92.4	Very high	90	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-55.3	-178.9	179	0	0	0	0	110.8	L56 L66 L68 T165 F168 K169 W172	L56-V58 PolarHBondContact O-N 3.21Å; V58-L66 HydrophobicContact CB-CB 4.4Å; V58-L66 HydrophobicContact CB-CD2 4.15Å; V58-L66 HydrophobicContact CB-CG 4.24Å; V58-L66 HydrophobicContact CG1-CD2 4.04Å; V58-L66 PolarHBondContact N-O 3.49Å; V58-L68 HydrophobicContact CG2-CD2 4.11Å; V58-L68 HydrophobicContact CG2-CG 4.04Å; V58-T165 HydrophobicContact CG2-CG2 4.41Å; V58-F168 HydrophobicContact CB-CD1 4.23Å; V58-F168 HydrophobicContact CB-CE1 4.38Å; V58-F168 HydrophobicContact CG1-CD1 3.65Å; V58-F168 HydrophobicContact CG1-CE1 3.82Å; V58-F168 HydrophobicContact CG2-CD1 3.57Å; V58-F168 HydrophobicContact CG2-CE1 3.99Å; V58-F168 HydrophobicContact CG2-CG 4.46Å; V58-K169 HydrophobicContact CG1-CG 4Å; V58-W172 HydrophobicContact CG1-CB 4.23Å; V58-W172 HydrophobicContact CG1-CG 4.02Å
59	A	91	Very high	90.2	Very high	8 Å²	8	34.1 Å²	34.1	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.4	-175.7	0	0	0	0	0	109.9	Y65 L66 T178	A59-Y65 WeakPolarHBondContact O-CA 3.33Å; A59-Y65 WeakPolarHBondContact O-CB 3.44Å; A59-L66 HydrophobicContact CB-CB 4.16Å; A59-L66 PolarHBondContact N-O 2.79Å; A59-L66 PolarHBondContact O-N 2.74Å; A59-T178 HydrophobicContact CB-CG2 4.2Å
60	V	90.6	Very high	90.2	Very high	38 Å²	38	35.2 Å²	35.2	23%	0.23	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	115	-175.3	-178.7	0	0	0	0	109.3	F47 V57 T178	F47-V60 HydrophobicContact CE2-CG2 4.32Å; F47-V60 HydrophobicContact CZ-CG2 4.42Å; V57-V60 HydrophobicContact CG1-CG2 3.59Å; V60-T178 WeakPolarHBondContact O-CB 3.48Å
61	G	87.8	Confident	90.2	Very high	8 Å²	8	31.6 Å²	31.6	8%	0.082	17%	0.168	C	C	.	.			trans	-87.3	-161.4	172.2	0	0	0	0	0	112.8	A64 R84 E100	G61-A64 CarbonylContact C-O 3.54Å; G61-A64 WeakPolarHBondContact CA-O 3.46Å; G61-A64 PolarHBondContact N-O 2.82Å; G61-R84 PolarHBondContact O-NE 3.39Å; G61-R84 PolarHBondContact O-NH2 3.39Å; G61-E100 WeakPolarHBondContact CA-OE1 3.23Å
62	F	86.9	Confident	90.1	Very high	102 Å²	102	34.1 Å²	34.1	45%	0.447	17%	0.173	S	C	.	.	S	Bend	trans	-77.2	-51.4	-178.6	-68.2	-72.3	0	0	0	112	R84 E100 T181	F62-R84 WeakPolarHBondContact O-CD 3.23Å; F62-R84 PolarHBondContact O-NE 2.6Å; F62-R84 VanDerWaalsContact O-NE 3.16Å; F62-E100 PolarHBondContact N-OE1 2.81Å; F62-T181 HydrophobicContact CD2-CG2 4.2Å; F62-T181 VanDerWaalsContact CE2-CB 3.5Å; F62-T181 HydrophobicContact CE2-CG2 3.34Å; F62-T181 VanDerWaalsContact CZ-CB 3.41Å; F62-T181 HydrophobicContact CZ-CG2 3.76Å
63	Q	88	Confident	89.7	Confident	56 Å²	56	34.2 Å²	34.2	26%	0.262	18%	0.175	S	C	.	.	S	Bend	trans	-114.5	-20.4	-177.8	-59.5	-57.7	-3.1	0	0	113.7	R84 D96 V97 E100	Q63-R84 WeakPolarHBondContact O-CB 3.42Å; Q63-R84 WeakPolarHBondContact O-CG 3.41Å; Q63-R84 PolarHBondContact O-N 3.32Å; Q63-D96 VanDerWaalsContact CD-OD2 3.32Å; Q63-D96 PolarHBondContact NE2-OD2 3.07Å; Q63-V97 HydrophobicContact CB-CB 4.24Å; Q63-V97 HydrophobicContact CB-CG1 4.28Å; Q63-V97 HydrophobicContact CB-CG2 3.99Å; Q63-V97 HydrophobicContact CG-CG2 4.18Å; Q63-E100 WeakPolarHBondContact CA-OE2 3.42Å; Q63-E100 VanDerWaalsContact CB-OE2 3.24Å; Q63-E100 WeakPolarHBondContact CB-OE2 3.38Å; Q63-E100 PolarHBondContact N-OE2 3.09Å
64	A	87.9	Confident	88.9	Confident	8 Å²	8	35 Å²	35	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	163.9	177.1	0	0	0	0	0	112.7	G61 I81 I82 E100 M101	G61-A64 CarbonylContact C-O 3.54Å; G61-A64 WeakPolarHBondContact CA-O 3.46Å; G61-A64 PolarHBondContact N-O 2.82Å; A64-I81 HydrophobicContact CB-CG2 4.19Å; A64-I82 CarbonylContact C-O 3.5Å; A64-I82 VanDerWaalsContact CA-O 3.23Å; A64-I82 WeakPolarHBondContact CA-O 3.21Å; A64-I82 WeakPolarHBondContact CB-O 3.43Å; A64-E100 PolarHBondContact N-OE2 3.38Å; A64-M101 HydrophobicContact CB-CG 3.7Å; A64-M101 HydrophobicContact CB-SD 4.06Å
65	Y	90.1	Very high	88	Confident	7 Å²	7	30 Å²	30	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.1	173.7	72.3	-88.7	0	0	0	111.1	Y45 F47 M52 V57 A59 A67 I82 R84	Y45-Y65 WeakPolarHBondContact CA-OH 3.26Å; Y45-Y65 PolarHBondContact O-OH 2.68Å; F47-Y65 HydrophobicContact CD2-CD1 4.05Å; F47-Y65 HydrophobicContact CD2-CE1 4.23Å; F47-Y65 HydrophobicContact CD2-CG 4.46Å; F47-Y65 HydrophobicContact CE2-CD1 4.5Å; F47-Y65 HydrophobicContact CE2-CG 4.46Å; M52-Y65 HydrophobicContact CE-CD2 4.42Å; M52-Y65 HydrophobicContact CE-CE1 4.05Å; M52-Y65 HydrophobicContact CE-CE2 3.7Å; M52-Y65 VanDerWaalsContact CE-CZ 3.49Å; V57-Y65 HydrophobicContact CG1-CD2 4.25Å; V57-Y65 HydrophobicContact CG2-CD2 4.16Å; V57-Y65 HydrophobicContact CG2-CE2 4.15Å; A59-Y65 WeakPolarHBondContact O-CA 3.33Å; A59-Y65 WeakPolarHBondContact O-CB 3.44Å; Y65-A67 HydrophobicContact CD2-CB 3.95Å; Y65-A67 HydrophobicContact CE2-CB 3.61Å; Y65-I82 HydrophobicContact CD1-CB 4.12Å; Y65-I82 HydrophobicContact CD1-CG2 4.5Å; Y65-I82 WeakPolarHBondContact CD1-O 3.37Å; Y65-I82 HydrophobicContact CD2-CB 4.48Å; Y65-I82 HydrophobicContact CE1-CB 3.61Å; Y65-I82 HydrophobicContact CE1-CG2 3.61Å; Y65-I82 HydrophobicContact CE2-CB 4.01Å; Y65-I82 HydrophobicContact CE2-CD1 3.8Å; Y65-I82 HydrophobicContact CE2-CG1 4.29Å; Y65-I82 PolarHBondContact N-O 3.23Å; Y65-I82 PolarHBondContact O-N 2.87Å; Y65-I82 WeakPolarHBondContact OH-CD1 3.1Å; Y65-I82 WeakPolarHBondContact OH-CG2 3.28Å; Y65-R84 HydrophobicContact CD1-CG 4.38Å
66	L	90.3	Very high	87.2	Confident	13 Å²	13	35.2 Å²	35.2	7%	0.068	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.2	176.8	-171.9	71	0	0	0	109	F25 V58 A59 C79 C80 I81 F168 W172	F25-L66 HydrophobicContact CD1-CD1 3.98Å; F25-L66 HydrophobicContact CE1-CD1 4.01Å; V58-L66 HydrophobicContact CB-CB 4.4Å; V58-L66 HydrophobicContact CB-CD2 4.15Å; V58-L66 HydrophobicContact CB-CG 4.24Å; V58-L66 HydrophobicContact CG1-CD2 4.04Å; V58-L66 PolarHBondContact N-O 3.49Å; A59-L66 HydrophobicContact CB-CB 4.16Å; A59-L66 PolarHBondContact N-O 2.79Å; A59-L66 PolarHBondContact O-N 2.74Å; L66-C79 HydrophobicContact CD1-CB 4Å; L66-C79 HydrophobicContact CG-CB 4.42Å; L66-C80 WeakPolarHBondContact CA-O 3.24Å; L66-I81 HydrophobicContact CD1-CG1 3.92Å; L66-F168 HydrophobicContact CD2-CE1 4.03Å; L66-W172 HydrophobicContact CD2-CD2 4.07Å; L66-W172 HydrophobicContact CD2-CG 4.45Å; L66-W172 HydrophobicContact CD2-CZ2 4.17Å
67	A	91.6	Very high	86.5	Confident	6 Å²	6	35.7 Å²	35.7	5%	0.05	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.9	176.6	0	0	0	0	0	112.5	L56 V57 Y65 C79 C80 I82	L56-A67 CarbonylContact O-C 3.51Å; L56-A67 VanDerWaalsContact O-CA 3.28Å; L56-A67 WeakPolarHBondContact O-CA 3.43Å; V57-A67 HydrophobicContact CG2-CB 4.48Å; Y65-A67 HydrophobicContact CD2-CB 3.95Å; Y65-A67 HydrophobicContact CE2-CB 3.61Å; A67-C79 CarbonylContact O-C 3.6Å; A67-C79 WeakPolarHBondContact O-CA 3.45Å; A67-C80 PolarHBondContact N-O 3.35Å; A67-C80 PolarHBondContact O-N 2.81Å; A67-I82 HydrophobicContact CB-CD1 4.23Å
68	L	91.2	Very high	86	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.031	20%	0.195	C	C	.	.			trans	-88.1	149.3	172.7	-59.3	-166.9	0	0	0	111.4	L56 V58 H78 C79 R164 F168	L56-L68 HydrophobicContact CB-CB 4.49Å; L56-L68 WeakPolarHBondContact CD1-O 3.29Å; L56-L68 HydrophobicContact CD2-CB 4.31Å; L56-L68 PolarHBondContact O-N 2.65Å; V58-L68 HydrophobicContact CG2-CD2 4.11Å; V58-L68 HydrophobicContact CG2-CG 4.04Å; L68-H78 WeakPolarHBondContact CD2-O 3.2Å; L68-C79 HydrophobicContact CD2-CB 3.77Å; L68-R164 HydrophobicContact CD1-CB 4.48Å; L68-R164 HydrophobicContact CD1-CG 3.82Å; L68-F168 HydrophobicContact CD1-CB 3.9Å; L68-F168 HydrophobicContact CD1-CG 4.3Å; L68-F168 HydrophobicContact CD2-CB 4.25Å; L68-F168 HydrophobicContact CD2-CD1 4.01Å; L68-F168 HydrophobicContact CD2-CD2 3.77Å; L68-F168 HydrophobicContact CD2-CE1 4.3Å; L68-F168 HydrophobicContact CD2-CE2 4.05Å; L68-F168 HydrophobicContact CD2-CG 3.74Å; L68-F168 HydrophobicContact CD2-CZ 4.32Å; L68-F168 HydrophobicContact CG-CG 4.49Å
69	P	87.9	Confident	85.6	Confident	7 Å²	7	35.8 Å²	35.8	5%	0.045	19%	0.191	C	C	.	.			trans	-64.9	143.4	173	26.8	-34	0	0	0	110.4	C71 P73 H78 R164	P69-C71 VanDerWaalsContact C-N 3.31Å; P69-C71 PolarHBondContact O-N 2.8Å; P69-P73 HydrophobicContact CG-CB 4.3Å; P69-H78 WeakPolarHBondContact CD-O 3.43Å; P69-R164 PolarHBondContact O-NH1 2.75Å; P69-R164 PolarHBondContact O-NH2 2.91Å
70	P	87.1	Confident	85.4	Confident	27 Å²	27	35.6 Å²	35.6	18%	0.175	19%	0.189	C	C	.	.	S	Bend	trans	-70.8	-26.8	-179.8	28.1	-34.4	0	0	0	112.9	L56 Q161	L56-P70 HydrophobicContact CD1-CB 3.78Å; P70-Q161 PolarHBondContact O-NE2 2.69Å
71	C	87.3	Confident	85.3	Confident	35 Å²	35	34.6 Å²	34.6	24%	0.236	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-82.1	166.9	172.7	55.9	0	0	0	0	111.9	P69 P73 P153 L154 R164	P69-C71 VanDerWaalsContact C-N 3.31Å; P69-C71 PolarHBondContact O-N 2.8Å; C71-P73 WeakPolarHBondContact O-CD 2.86Å; C71-P153 HydrophobicContact CB-CB 3.47Å; C71-P153 VanDerWaalsContact CB-CB 3.47Å; C71-L154 WeakPolarHBondContact CA-O 3.2Å; C71-R164 PolarHBondContact O-NH2 2.79Å
72	K	86.1	Confident	85.2	Confident	111 Å²	111	34.4 Å²	34.4	48%	0.483	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-63	122.4	173.7	-175	176.4	179.5	-176.1	0	109.4	L154 E156	K72-L154 HydrophobicContact CB-CB 4.35Å; K72-L154 PolarHBondContact N-O 3.36Å; K72-E156 HydrophobicContact CB-CG 3.77Å
73	P	80.4	Confident	85.3	Confident	16 Å²	16	30 Å²	30	10%	0.104	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-74.6	152.1	176.9	32.9	-35.5	0	0	0	110.9	P69 C71 V75 H78	P69-P73 HydrophobicContact CG-CB 4.3Å; C71-P73 WeakPolarHBondContact O-CD 2.86Å; P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 WeakPolarHBondContact CB-O 3.15Å; P73-H78 HydrophobicContact CB-CB 3.69Å
74	F	73.6	Confident	85.3	Confident	66 Å²	66	31.4 Å²	31.4	29%	0.289	16%	0.164	S	C	.	.	S	Bend	trans	-77.7	-22.4	174.9	-47.9	-50.6	0	0	0	112.8	L143 V145 V149 W150 P153	F74-L143 HydrophobicContact CB-CD1 4.26Å; F74-V145 HydrophobicContact CB-CG2 4.38Å; F74-V145 HydrophobicContact CD1-CG1 4.35Å; F74-V149 HydrophobicContact CD1-CG1 3.67Å; F74-V149 HydrophobicContact CE1-CG1 3.61Å; F74-V149 VanDerWaalsContact CE1-O 3.27Å; F74-V149 WeakPolarHBondContact CE1-O 3.29Å; F74-W150 HydrophobicContact CD2-CB 4.17Å; F74-W150 HydrophobicContact CE1-CB 4.25Å; F74-W150 HydrophobicContact CE2-CB 3.5Å; F74-W150 HydrophobicContact CZ-CB 3.62Å; F74-P153 HydrophobicContact CZ-CB 4.39Å; F74-P153 HydrophobicContact CZ-CG 4.22Å
75	V	74.4	Confident	85	Confident	41 Å²	41	35.6 Å²	35.6	25%	0.248	19%	0.185	C	C	.	.	S	Bend	trans	-130.3	142.8	177.3	-63.9	0	0	0	0	110.5	P73 H78 L143	P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 WeakPolarHBondContact CB-O 3.15Å; V75-H78 HydrophobicContact CG2-CB 4Å; V75-H78 WeakPolarHBondContact O-CB 3.43Å; V75-H78 PolarHBondContact O-N 2.6Å; V75-L143 HydrophobicContact CG1-CD1 3.5Å; V75-L143 VanDerWaalsContact CG1-CD1 3.5Å; V75-L143 HydrophobicContact CG1-CD2 3.5Å; V75-L143 VanDerWaalsContact CG1-CD2 3.5Å; V75-L143 HydrophobicContact CG1-CG 4.13Å
76	D	77	Confident	84.7	Confident	150 Å²	150	36 Å²	36	80%	0.802	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	144.1	170.8	-73.2	-21.8	0	0	0	110.2	H78	D76-H78 VanDerWaalsContact C-N 3.26Å; D76-H78 PolarHBondContact O-N 3.32Å
77	G	81.2	Confident	84.1	Confident	15 Å²	15	36.2 Å²	36.2	16%	0.155	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	8.8	-178.3	0	0	0	0	0	115.1	S24 C79	S24-G77 PolarHBondContact N-O 2.83Å; G77-C79 PolarHBondContact O-N 3.28Å
78	H	82.3	Confident	82.9	Confident	32 Å²	32	36.9 Å²	36.9	15%	0.148	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	121.4	169.6	-176.3	-167.5	0	0	0	110.7	S24 L68 P69 P73 V75 D76	S24-H78 WeakPolarHBondContact O-CA 2.95Å; L68-H78 WeakPolarHBondContact CD2-O 3.2Å; P69-H78 WeakPolarHBondContact CD-O 3.43Å; P73-H78 HydrophobicContact CB-CB 3.69Å; V75-H78 HydrophobicContact CG2-CB 4Å; V75-H78 WeakPolarHBondContact O-CB 3.43Å; V75-H78 PolarHBondContact O-N 2.6Å; D76-H78 VanDerWaalsContact C-N 3.26Å; D76-H78 PolarHBondContact O-N 3.32Å
79	C	85.6	Confident	81.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.6	176.9	58.5	0	0	0	0	110.7	S24 F25 C26 L66 A67 L68 G77 F168	S24-C79 PolarHBondContact O-N 3.27Å; S24-C79 PolarHBondContact O-SG 2.88Å; S24-C79 VanDerWaalsContact O-SG 3.36Å; F25-C79 CarbonylContact C-O 3.58Å; F25-C79 WeakPolarHBondContact CA-O 3.47Å; F25-C79 WeakPolarHBondContact CD1-SG 3.38Å; F25-C79 WeakPolarHBondContact CE1-SG 3.25Å; C26-C79 PolarHBondContact N-O 3.09Å; L66-C79 HydrophobicContact CD1-CB 4Å; L66-C79 HydrophobicContact CG-CB 4.42Å; A67-C79 CarbonylContact O-C 3.6Å; A67-C79 WeakPolarHBondContact O-CA 3.45Å; L68-C79 HydrophobicContact CD2-CB 3.77Å; G77-C79 PolarHBondContact O-N 3.28Å; C79-F168 HydrophobicContact CB-CE1 4.32Å; C79-F168 HydrophobicContact CB-CE2 4.05Å; C79-F168 HydrophobicContact CB-CZ 3.67Å
80	C	87	Confident	81.2	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.8	-174.5	-55.1	0	0	0	0	109.6	C26 C28 L66 A67 I82	C26-C80 CarbonylContact O-C 3.48Å; C26-C80 WeakPolarHBondContact O-CA 3.35Å; C28-C80 HydrophobicContact CB-CB 4.38Å; C28-C80 PolarHBondContact SG-SG 3.48Å; L66-C80 WeakPolarHBondContact CA-O 3.24Å; A67-C80 PolarHBondContact N-O 3.35Å; A67-C80 PolarHBondContact O-N 2.81Å; C80-I82 HydrophobicContact CB-CD1 3.79Å; C80-I82 HydrophobicContact CB-CG1 3.78Å
81	I	87.2	Confident	80.5	Confident	17 Å²	17	41.4 Å²	41.4	9%	0.087	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.1	168	-55.7	167.9	0	0	0	106.6	V10 F25 C26 V27 C28 A64 L66 M101	V10-I81 HydrophobicContact CG2-CD1 3.25Å; V10-I81 HydrophobicContact CG2-CG1 4.37Å; F25-I81 HydrophobicContact CB-CD1 4.1Å; F25-I81 HydrophobicContact CD1-CD1 4.02Å; F25-I81 HydrophobicContact CD1-CG1 4.13Å; F25-I81 HydrophobicContact CG-CD1 4.35Å; C26-I81 PolarHBondContact O-N 3.4Å; V27-I81 WeakPolarHBondContact CA-O 3.19Å; V27-I81 HydrophobicContact CG2-CB 4.46Å; C28-I81 PolarHBondContact N-O 3.02Å; A64-I81 HydrophobicContact CB-CG2 4.19Å; L66-I81 HydrophobicContact CD1-CG1 3.92Å; I81-M101 HydrophobicContact CG2-CE 3.98Å; I81-M101 HydrophobicContact CG2-CG 4.22Å
82	I	87.2	Confident	79.9	Confident	4 Å²	4	44 Å²	44	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.5	-166.3	-50.5	179.7	0	0	0	108.4	C28 Y45 A64 Y65 A67 C80	C28-I82 HydrophobicContact CB-CD1 4.49Å; C28-I82 HydrophobicContact CB-CG1 4.21Å; Y45-I82 HydrophobicContact CD1-CD1 3.58Å; Y45-I82 HydrophobicContact CE1-CD1 3.99Å; Y45-I82 HydrophobicContact CG-CD1 4.38Å; A64-I82 CarbonylContact C-O 3.5Å; A64-I82 VanDerWaalsContact CA-O 3.23Å; A64-I82 WeakPolarHBondContact CA-O 3.21Å; A64-I82 WeakPolarHBondContact CB-O 3.43Å; Y65-I82 HydrophobicContact CD1-CB 4.12Å; Y65-I82 HydrophobicContact CD1-CG2 4.5Å; Y65-I82 WeakPolarHBondContact CD1-O 3.37Å; Y65-I82 HydrophobicContact CD2-CB 4.48Å; Y65-I82 HydrophobicContact CE1-CB 3.61Å; Y65-I82 HydrophobicContact CE1-CG2 3.61Å; Y65-I82 HydrophobicContact CE2-CB 4.01Å; Y65-I82 HydrophobicContact CE2-CD1 3.8Å; Y65-I82 HydrophobicContact CE2-CG1 4.29Å; Y65-I82 PolarHBondContact N-O 3.23Å; Y65-I82 PolarHBondContact O-N 2.87Å; Y65-I82 WeakPolarHBondContact OH-CD1 3.1Å; Y65-I82 WeakPolarHBondContact OH-CG2 3.28Å; A67-I82 HydrophobicContact CB-CD1 4.23Å; C80-I82 HydrophobicContact CB-CD1 3.79Å; C80-I82 HydrophobicContact CB-CG1 3.78Å
83	P	88	Confident	79.7	Confident	8 Å²	8	39.1 Å²	39.1	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	143.9	170.8	28.4	-35.6	0	0	0	110	L29 D85 V87 M93 V97 M101	L29-P83 HydrophobicContact CD2-CG 3.92Å; P83-D85 VanDerWaalsContact C-N 3.29Å; P83-D85 PolarHBondContact O-N 3.36Å; P83-V87 HydrophobicContact CB-CG2 4.04Å; P83-V87 HydrophobicContact CG-CG2 3.47Å; P83-V87 VanDerWaalsContact CG-CG2 3.47Å; P83-M93 HydrophobicContact CB-CE 3.98Å; P83-M93 HydrophobicContact CG-CE 3.73Å; P83-V97 HydrophobicContact CB-CG1 4.12Å; P83-M101 HydrophobicContact CB-SD 4.39Å
84	R	87.3	Confident	79.9	Confident	86 Å²	86	43.9 Å²	43.9	33%	0.325	23%	0.234	S	C	.	.	S	Bend	trans	-63.8	-38.9	179.3	-80.1	177.9	164.6	-135.7	7.6	112.2	F47 G61 F62 Q63 Y65	F47-R84 PolarHBondContact N-O 3.14Å; G61-R84 PolarHBondContact O-NE 3.39Å; G61-R84 PolarHBondContact O-NH2 3.39Å; F62-R84 WeakPolarHBondContact O-CD 3.23Å; F62-R84 PolarHBondContact O-NE 2.6Å; F62-R84 VanDerWaalsContact O-NE 3.16Å; Q63-R84 WeakPolarHBondContact O-CB 3.42Å; Q63-R84 WeakPolarHBondContact O-CG 3.41Å; Q63-R84 PolarHBondContact O-N 3.32Å; Y65-R84 HydrophobicContact CD1-CG 4.38Å
85	D	83	Confident	80.5	Confident	96 Å²	96	45.4 Å²	45.4	51%	0.513	24%	0.242	S	C	.	.	S	Bend	trans	-95.8	148	179	-71	-46.3	0	0	0	111.8	P83 V87	P83-D85 VanDerWaalsContact C-N 3.29Å; P83-D85 PolarHBondContact O-N 3.36Å; D85-V87 PolarHBondContact O-N 3.12Å; D85-V87 VanDerWaalsContact O-N 3.14Å
86	H	83.3	Confident	81.1	Confident	15 Å²	15	46.8 Å²	46.8	7%	0.069	25%	0.248	C	C	.	.			trans	-63.2	116.6	175.9	-164	109.7	0	0	0	109.9	S30 E31 N32 L40 C46	S30-H86 WeakPolarHBondContact CB-CE1 3.41Å; S30-H86 WeakPolarHBondContact CB-ND1 3.33Å; S30-H86 PolarHBondContact OG-CE1 2.86Å; S30-H86 PolarHBondContact OG-ND1 2.92Å; S30-H86 VanDerWaalsContact OG-ND1 3.09Å; E31-H86 PolarHBondContact O-CE1 3.48Å; N32-H86 PolarHBondContact O-NE2 3.1Å; L40-H86 HydrophobicContact CD2-CB 3.27Å; C46-H86 WeakPolarHBondContact SG-CB 3.3Å; C46-H86 PolarHBondContact SG-ND1 2.81Å; C46-H86 VanDerWaalsContact SG-ND1 3.38Å
87	V	76.8	Confident	81.5	Confident	18 Å²	18	40.3 Å²	40.3	11%	0.109	21%	0.214	C	C	.	.			trans	-129.1	139.9	171.5	-63.8	0	0	0	0	108.5	L29 S30 P83 D85 M93	L29-V87 HydrophobicContact CD2-CG2 3.99Å; S30-V87 PolarHBondContact N-O 3.29Å; P83-V87 HydrophobicContact CB-CG2 4.04Å; P83-V87 HydrophobicContact CG-CG2 3.47Å; P83-V87 VanDerWaalsContact CG-CG2 3.47Å; D85-V87 PolarHBondContact O-N 3.12Å; D85-V87 VanDerWaalsContact O-N 3.14Å; V87-M93 HydrophobicContact CB-CG 4.18Å; V87-M93 HydrophobicContact CG1-CG 4.14Å; V87-M93 HydrophobicContact CG2-CE 3.47Å; V87-M93 VanDerWaalsContact CG2-CE 3.47Å; V87-M93 HydrophobicContact CG2-CG 3.84Å
88	S	67.1	Low	81.6	Confident	21 Å²	21	40 Å²	40	15%	0.147	21%	0.209	C	C	.	.	S	Bend	trans	-87.7	-23.6	-178.5	75	0	0	0	0	112.6	Q92	S88-Q92 PolarHBondContact OG-NE2 2.79Å; S88-Q92 PolarHBondContact OG-OE1 3.41Å
89	S	69.6	Low	81.7	Confident	13 Å²	13	46 Å²	46	9%	0.091	24%	0.236	C	C	.	.			trans	-149.6	157.8	177.2	69.4	0	0	0	0	111.9	L29 V91 Q92	L29-S89 VanDerWaalsContact CD1-C 3.41Å; L29-S89 VanDerWaalsContact CD1-CA 3.49Å; S89-V91 PolarHBondContact O-N 2.95Å; S89-Q92 PolarHBondContact O-N 2.77Å; S89-Q92 VanDerWaalsContact O-N 3.13Å; S89-Q92 WeakPolarHBondContact OG-CG 3.43Å; S89-Q92 PolarHBondContact OG-N 2.83Å
90	C	73.2	Confident	81.6	Confident	16 Å²	16	48.2 Å²	48.2	11%	0.108	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.6	-30.7	171.6	-64	0	0	0	0	111.4	L29 Q92 M93 L98 I103	L29-C90 VanDerWaalsContact CD1-N 3.28Å; C90-Q92 PolarHBondContact O-N 3.14Å; C90-M93 HydrophobicContact CB-SD 4.35Å; C90-M93 WeakPolarHBondContact O-CB 3.29Å; C90-M93 PolarHBondContact O-N 3.12Å; C90-M93 VanDerWaalsContact O-N 3.13Å; C90-L98 HydrophobicContact CB-CD2 4.32Å; C90-I103 HydrophobicContact CB-CG2 4.34Å
91	V	73.5	Confident	81.3	Confident	106 Å²	106	48.5 Å²	48.5	64%	0.642	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-65.5	-24.8	178.9	-175.8	0	0	0	0	111.9	S89	S89-V91 PolarHBondContact O-N 2.95Å
92	Q	74.4	Confident	80.9	Confident	88 Å²	88	51.1 Å²	51.1	41%	0.411	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-91.9	-3.5	176.7	-70.4	-179.5	-5.8	0	0	114	S88 S89 C90	S88-Q92 PolarHBondContact OG-NE2 2.79Å; S88-Q92 PolarHBondContact OG-OE1 3.41Å; S89-Q92 PolarHBondContact O-N 2.77Å; S89-Q92 VanDerWaalsContact O-N 3.13Å; S89-Q92 WeakPolarHBondContact OG-CG 3.43Å; S89-Q92 PolarHBondContact OG-N 2.83Å; C90-Q92 PolarHBondContact O-N 3.14Å
93	M	80.5	Confident	80.5	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.049	26%	0.264	C	S	.	.	S	Bend	trans	-74.1	144	177.5	-71.1	175.6	170	0	0	110.6	L29 P83 V87 C90 V97 L98 M101 I103	L29-M93 HydrophobicContact CD1-CE 4.21Å; L29-M93 HydrophobicContact CD2-CE 3.17Å; L29-M93 HydrophobicContact CG-CE 4.34Å; P83-M93 HydrophobicContact CB-CE 3.98Å; P83-M93 HydrophobicContact CG-CE 3.73Å; V87-M93 HydrophobicContact CB-CG 4.18Å; V87-M93 HydrophobicContact CG1-CG 4.14Å; V87-M93 HydrophobicContact CG2-CE 3.47Å; V87-M93 VanDerWaalsContact CG2-CE 3.47Å; V87-M93 HydrophobicContact CG2-CG 3.84Å; C90-M93 HydrophobicContact CB-SD 4.35Å; C90-M93 WeakPolarHBondContact O-CB 3.29Å; C90-M93 PolarHBondContact O-N 3.12Å; C90-M93 VanDerWaalsContact O-N 3.13Å; M93-V97 HydrophobicContact CB-CB 4.24Å; M93-V97 HydrophobicContact CB-CG1 4.4Å; M93-V97 HydrophobicContact CG-CG1 4.27Å; M93-V97 HydrophobicContact SD-CG1 4.05Å; M93-L98 HydrophobicContact CB-CD1 4.37Å; M93-L98 HydrophobicContact CB-CD2 3.86Å; M93-L98 HydrophobicContact CB-CG 3.78Å; M93-L98 HydrophobicContact CG-CD2 4.43Å; M93-L98 HydrophobicContact SD-CD2 3.73Å; M93-L98 HydrophobicContact SD-CG 4.47Å; M93-M101 HydrophobicContact CE-CE 4.17Å; M93-M101 HydrophobicContact CE-SD 4Å; M93-M101 HydrophobicContact SD-SD 4.24Å; M93-I103 HydrophobicContact SD-CD1 4.04Å
94	D	85.5	Confident	80	Confident	116 Å²	116	54.2 Å²	54.2	62%	0.62	28%	0.282	S	S	*	.			trans	-66.4	155.3	169.3	-63.9	-40.7	0	0	0	110.8	D96 V97 L98	D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 WeakPolarHBondContact CB-OD1 3.39Å; D94-D96 PolarHBondContact O-N 3.13Å; D94-V97 HydrophobicContact CB-CG2 4.15Å; D94-V97 WeakPolarHBondContact O-CB 3.32Å; D94-V97 PolarHBondContact O-N 3.38Å; D94-V97 VanDerWaalsContact O-N 3.09Å; D94-L98 PolarHBondContact O-N 2.97Å; D94-L98 VanDerWaalsContact O-N 3.1Å
95	E	85.8	Confident	79.5	Confident	98 Å²	98	57.4 Å²	57.4	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-37.9	-173.3	-71.3	-64.9	148.2	0	0	113.6	L98 E99 R105	E95-L98 PolarHBondContact O-N 3.39Å; E95-E99 WeakPolarHBondContact O-CB 3.49Å; E95-E99 PolarHBondContact O-N 3.17Å; E95-R105 VanDerWaalsContact CD-CD 3.43Å; E95-R105 WeakPolarHBondContact OE1-CD 3.26Å; E95-R105 IonicContact OE1-CZ 3.99Å; E95-R105 IonicContact OE1-NE 3.49Å; E95-R105 PolarHBondContact OE1-NE 2.87Å; E95-R105 WeakPolarHBondContact OE2-CD 3.22Å; E95-R105 IonicContact OE2-CZ 2.83Å; E95-R105 IonicContact OE2-NE 3.1Å; E95-R105 PolarHBondContact OE2-NE 3.35Å; E95-R105 VanDerWaalsContact OE2-NE 3.1Å; E95-R105 IonicContact OE2-NH1 2.61Å; E95-R105 PolarHBondContact OE2-NH1 3.3Å; E95-R105 IonicContact OE2-NH2 3.54Å
96	D	86.6	Confident	79.2	Confident	70 Å²	70	56.9 Å²	56.9	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-70.4	-34	178.5	61.9	-32.8	0	0	0	112.5	Q63 D94 E100	Q63-D96 VanDerWaalsContact CD-OD2 3.32Å; Q63-D96 PolarHBondContact NE2-OD2 3.07Å; D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 WeakPolarHBondContact CB-OD1 3.39Å; D94-D96 PolarHBondContact O-N 3.13Å; D96-E100 PolarHBondContact O-N 3.39Å
97	V	85.9	Confident	78.7	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-46.5	172.6	-171.2	0	0	0	0	110	Q63 P83 M93 D94 E99 E100 M101	Q63-V97 HydrophobicContact CB-CB 4.24Å; Q63-V97 HydrophobicContact CB-CG1 4.28Å; Q63-V97 HydrophobicContact CB-CG2 3.99Å; Q63-V97 HydrophobicContact CG-CG2 4.18Å; P83-V97 HydrophobicContact CB-CG1 4.12Å; M93-V97 HydrophobicContact CB-CB 4.24Å; M93-V97 HydrophobicContact CB-CG1 4.4Å; M93-V97 HydrophobicContact CG-CG1 4.27Å; M93-V97 HydrophobicContact SD-CG1 4.05Å; D94-V97 HydrophobicContact CB-CG2 4.15Å; D94-V97 WeakPolarHBondContact O-CB 3.32Å; D94-V97 PolarHBondContact O-N 3.38Å; D94-V97 VanDerWaalsContact O-N 3.09Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 3.43Å; V97-E100 PolarHBondContact O-N 3.15Å; V97-M101 HydrophobicContact CG1-SD 3.81Å; V97-M101 WeakPolarHBondContact O-CB 3.43Å; V97-M101 WeakPolarHBondContact O-CG 3.46Å; V97-M101 PolarHBondContact O-N 3.09Å
98	L	84.1	Confident	78.4	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-40.8	177.9	-67.8	171.1	0	0	0	111.8	C90 M93 D94 E95 M101 N102 I103 R105	C90-L98 HydrophobicContact CB-CD2 4.32Å; M93-L98 HydrophobicContact CB-CD1 4.37Å; M93-L98 HydrophobicContact CB-CD2 3.86Å; M93-L98 HydrophobicContact CB-CG 3.78Å; M93-L98 HydrophobicContact CG-CD2 4.43Å; M93-L98 HydrophobicContact SD-CD2 3.73Å; M93-L98 HydrophobicContact SD-CG 4.47Å; D94-L98 PolarHBondContact O-N 2.97Å; D94-L98 VanDerWaalsContact O-N 3.1Å; E95-L98 PolarHBondContact O-N 3.39Å; L98-M101 CarbonylContact O-C 3.44Å; L98-M101 PolarHBondContact O-N 2.74Å; L98-N102 WeakPolarHBondContact O-CA 3.15Å; L98-N102 PolarHBondContact O-N 2.91Å; L98-I103 HydrophobicContact CB-CB 4.43Å; L98-I103 HydrophobicContact CD2-CB 3.63Å; L98-I103 HydrophobicContact CD2-CD1 4.05Å; L98-I103 HydrophobicContact CD2-CG1 4.41Å; L98-I103 HydrophobicContact CD2-CG2 3.61Å; L98-I103 PolarHBondContact O-N 3.36Å; L98-R105 HydrophobicContact CD1-CG 4Å
99	E	84.6	Confident	78.9	Confident	157 Å²	157	61.5 Å²	61.5	73%	0.734	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-48	177.7	-173.1	177	-177.1	0	0	111.8	E95 V97 M101 N102	E95-E99 WeakPolarHBondContact O-CB 3.49Å; E95-E99 PolarHBondContact O-N 3.17Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 3.43Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.07Å; E99-N102 PolarHBondContact O-N 3.04Å; E99-N102 VanDerWaalsContact O-N 3.09Å
100	E	83.7	Confident	79.2	Confident	47 Å²	47	61.3 Å²	61.3	22%	0.22	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-38.7	178	-173.6	179.4	-144.3	0	0	111.7	G61 F62 Q63 A64 D96 V97 N102	G61-E100 WeakPolarHBondContact CA-OE1 3.23Å; F62-E100 PolarHBondContact N-OE1 2.81Å; Q63-E100 WeakPolarHBondContact CA-OE2 3.42Å; Q63-E100 VanDerWaalsContact CB-OE2 3.24Å; Q63-E100 WeakPolarHBondContact CB-OE2 3.38Å; Q63-E100 PolarHBondContact N-OE2 3.09Å; A64-E100 PolarHBondContact N-OE2 3.38Å; D96-E100 PolarHBondContact O-N 3.39Å; V97-E100 PolarHBondContact O-N 3.15Å; E100-N102 PolarHBondContact O-N 3.14Å
101	M	80.1	Confident	79.4	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.054	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.1	177.7	-65.5	177.5	70.6	0	0	113.5	L8 V27 A64 I81 P83 M93 V97 L98 E99 I103	L8-M101 WeakPolarHBondContact CD1-O 3.37Å; V27-M101 HydrophobicContact CB-CE 4.28Å; V27-M101 HydrophobicContact CG1-CE 3.47Å; V27-M101 VanDerWaalsContact CG1-CE 3.47Å; V27-M101 HydrophobicContact CG2-CE 3.84Å; A64-M101 HydrophobicContact CB-CG 3.7Å; A64-M101 HydrophobicContact CB-SD 4.06Å; I81-M101 HydrophobicContact CG2-CE 3.98Å; I81-M101 HydrophobicContact CG2-CG 4.22Å; P83-M101 HydrophobicContact CB-SD 4.39Å; M93-M101 HydrophobicContact CE-CE 4.17Å; M93-M101 HydrophobicContact CE-SD 4Å; M93-M101 HydrophobicContact SD-SD 4.24Å; V97-M101 HydrophobicContact CG1-SD 3.81Å; V97-M101 WeakPolarHBondContact O-CB 3.43Å; V97-M101 WeakPolarHBondContact O-CG 3.46Å; V97-M101 PolarHBondContact O-N 3.09Å; L98-M101 CarbonylContact O-C 3.44Å; L98-M101 PolarHBondContact O-N 2.74Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.07Å; M101-I103 VanDerWaalsContact C-N 3.28Å; M101-I103 HydrophobicContact CB-CD1 3.67Å; M101-I103 HydrophobicContact CB-CG1 3.82Å; M101-I103 HydrophobicContact CE-CD1 3.85Å; M101-I103 PolarHBondContact O-N 3.29Å; M101-I103 HydrophobicContact SD-CD1 4.13Å
102	N	79	Confident	79.4	Confident	72 Å²	72	55.8 Å²	55.8	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	37.8	-177.5	-172.4	48.3	0	0	0	113.4	L8 L98 E99 E100 P104	L8-N102 WeakPolarHBondContact CD1-O 3.28Å; L98-N102 WeakPolarHBondContact O-CA 3.15Å; L98-N102 PolarHBondContact O-N 2.91Å; E99-N102 PolarHBondContact O-N 3.04Å; E99-N102 VanDerWaalsContact O-N 3.09Å; E100-N102 PolarHBondContact O-N 3.14Å; N102-P104 WeakPolarHBondContact O-CD 3.32Å
103	I	78.7	Confident	79.1	Confident	11 Å²	11	55.2 Å²	55.2	6%	0.056	29%	0.29	C	S	.	.			trans	-90.4	114.5	178.6	-59.4	169.7	0	0	0	109.6	L6 L8 C90 M93 L98 M101	L6-I103 HydrophobicContact CD2-CB 4.24Å; L6-I103 HydrophobicContact CD2-CD1 4.39Å; L6-I103 HydrophobicContact CD2-CG1 3.79Å; L6-I103 HydrophobicContact CD2-CG2 3.72Å; L8-I103 HydrophobicContact CD1-CB 4.13Å; L8-I103 HydrophobicContact CD1-CG1 3.4Å; L8-I103 VanDerWaalsContact CD1-CG1 3.4Å; C90-I103 HydrophobicContact CB-CG2 4.34Å; M93-I103 HydrophobicContact SD-CD1 4.04Å; L98-I103 HydrophobicContact CB-CB 4.43Å; L98-I103 HydrophobicContact CD2-CB 3.63Å; L98-I103 HydrophobicContact CD2-CD1 4.05Å; L98-I103 HydrophobicContact CD2-CG1 4.41Å; L98-I103 HydrophobicContact CD2-CG2 3.61Å; L98-I103 PolarHBondContact O-N 3.36Å; M101-I103 VanDerWaalsContact C-N 3.28Å; M101-I103 HydrophobicContact CB-CD1 3.67Å; M101-I103 HydrophobicContact CB-CG1 3.82Å; M101-I103 HydrophobicContact CE-CD1 3.85Å; M101-I103 PolarHBondContact O-N 3.29Å; M101-I103 HydrophobicContact SD-CD1 4.13Å
104	P	76.5	Confident	78.6	Confident	66 Å²	66	59 Å²	59	43%	0.429	31%	0.306	S	S	.	.			trans	-60.6	146.2	170.3	-15.7	29.9	0	0	0	112.3	N102 Y109	N102-P104 WeakPolarHBondContact O-CD 3.32Å; P104-Y109 HydrophobicContact CB-CE1 4.49Å; P104-Y109 WeakPolarHBondContact CD-OH 2.85Å; P104-Y109 HydrophobicContact CG-CE1 4.31Å; P104-Y109 WeakPolarHBondContact CG-OH 3.5Å
105	R	77.4	Confident	77.7	Confident	153 Å²	153	55.6 Å²	55.6	58%	0.577	30%	0.299	S	S	*	.	S	Bend	trans	-94.6	164.9	179.8	-62.2	-166.3	-64.6	-92.4	12.2	113	E95 L98	E95-R105 VanDerWaalsContact CD-CD 3.43Å; E95-R105 WeakPolarHBondContact OE1-CD 3.26Å; E95-R105 IonicContact OE1-CZ 3.99Å; E95-R105 IonicContact OE1-NE 3.49Å; E95-R105 PolarHBondContact OE1-NE 2.87Å; E95-R105 WeakPolarHBondContact OE2-CD 3.22Å; E95-R105 IonicContact OE2-CZ 2.83Å; E95-R105 IonicContact OE2-NE 3.1Å; E95-R105 PolarHBondContact OE2-NE 3.35Å; E95-R105 VanDerWaalsContact OE2-NE 3.1Å; E95-R105 IonicContact OE2-NH1 2.61Å; E95-R105 PolarHBondContact OE2-NH1 3.3Å; E95-R105 IonicContact OE2-NH2 3.54Å; L98-R105 HydrophobicContact CD1-CG 4Å
106	G	76	Confident	76.9	Confident	84 Å²	84	57 Å²	57	87%	0.866	32%	0.318	S	S	*	.	S	Bend	trans	100.2	-11.1	163.3	0	0	0	0	0	115
107	F	73.1	Confident	75.7	Confident	111 Å²	111	65.4 Å²	65.4	49%	0.487	34%	0.344	S	S	.	.	S	Bend	trans	-158.7	152.2	170.6	58.8	-83.1	0	0	0	111.6	Y109 V123	F107-Y109 AromaticContact CD2-CD1 3.86Å; F107-Y109 HydrophobicContact CD2-CD1 3.86Å; F107-Y109 HydrophobicContact CD2-CG 4.21Å; F107-Y109 AromaticContact CE2-CD1 3.55Å; F107-Y109 HydrophobicContact CE2-CD1 3.55Å; F107-Y109 HydrophobicContact CE2-CE1 4.34Å; F107-Y109 AromaticContact CE2-CG 3.79Å; F107-Y109 HydrophobicContact CE2-CG 3.79Å; F107-Y109 HydrophobicContact CZ-CD1 4.29Å; F107-V123 HydrophobicContact CD2-CG1 4.01Å; F107-V123 HydrophobicContact CD2-CG2 4.01Å; F107-V123 HydrophobicContact CE2-CG2 3.97Å
108	S	72.1	Confident	74.9	Confident	21 Å²	21	66.4 Å²	66.4	15%	0.147	36%	0.358	C	S	.	.			trans	-75.4	127.7	172.4	-74.5	0	0	0	0	110.2	W4 I124	W4-S108 WeakPolarHBondContact CH2-OG 3.45Å; W4-S108 VanDerWaalsContact CZ3-CB 3.44Å; S108-I124 VanDerWaalsContact CB-O 3.25Å; S108-I124 WeakPolarHBondContact CB-O 3.35Å; S108-I124 PolarHBondContact O-N 2.74Å
109	Y	76.2	Confident	74.4	Confident	19 Å²	19	67.9 Å²	67.9	8%	0.075	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	162.3	177	71.3	-81.7	0	0	0	112.6	L6 P104 F107 A111 H122	L6-Y109 HydrophobicContact CD1-CD1 4.1Å; L6-Y109 HydrophobicContact CD1-CD2 3.59Å; L6-Y109 HydrophobicContact CD1-CE1 3.94Å; L6-Y109 HydrophobicContact CD1-CE2 3.43Å; L6-Y109 VanDerWaalsContact CD1-CE2 3.43Å; L6-Y109 HydrophobicContact CD1-CG 3.93Å; L6-Y109 WeakPolarHBondContact CD1-O 3.37Å; L6-Y109 HydrophobicContact CD2-CE1 4.22Å; L6-Y109 HydrophobicContact CD2-CE2 4.21Å; L6-Y109 WeakPolarHBondContact CD2-OH 3.5Å; L6-Y109 HydrophobicContact CG-CD2 4.46Å; L6-Y109 HydrophobicContact CG-CE2 3.84Å; P104-Y109 HydrophobicContact CB-CE1 4.49Å; P104-Y109 WeakPolarHBondContact CD-OH 2.85Å; P104-Y109 HydrophobicContact CG-CE1 4.31Å; P104-Y109 WeakPolarHBondContact CG-OH 3.5Å; F107-Y109 AromaticContact CD2-CD1 3.86Å; F107-Y109 HydrophobicContact CD2-CD1 3.86Å; F107-Y109 HydrophobicContact CD2-CG 4.21Å; F107-Y109 AromaticContact CE2-CD1 3.55Å; F107-Y109 HydrophobicContact CE2-CD1 3.55Å; F107-Y109 HydrophobicContact CE2-CE1 4.34Å; F107-Y109 AromaticContact CE2-CG 3.79Å; F107-Y109 HydrophobicContact CE2-CG 3.79Å; F107-Y109 HydrophobicContact CZ-CD1 4.29Å; Y109-A111 HydrophobicContact CD2-CB 3.79Å; Y109-A111 HydrophobicContact CE2-CB 3.56Å; Y109-H122 CarbonylContact C-O 3.56Å; Y109-H122 VanDerWaalsContact CA-O 3.26Å; Y109-H122 WeakPolarHBondContact CA-O 3.24Å; Y109-H122 WeakPolarHBondContact CB-O 3.45Å
110	F	77.4	Confident	74	Confident	10 Å²	10	66.6 Å²	66.6	4%	0.044	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.4	168.7	172.3	-93.5	0	0	0	107.1	S5 V112 A121 H122 I124 F134 V138	S5-F110 WeakPolarHBondContact O-CD2 3.46Å; S5-F110 WeakPolarHBondContact O-CE2 3.48Å; F110-V112 HydrophobicContact CD1-CG2 4.32Å; F110-V112 HydrophobicContact CE1-CG2 3.32Å; F110-V112 HydrophobicContact CE2-CG2 4.42Å; F110-V112 HydrophobicContact CZ-CG2 3.36Å; F110-A121 CarbonylContact O-C 3.41Å; F110-A121 VanDerWaalsContact O-CA 3.29Å; F110-A121 WeakPolarHBondContact O-CA 3.38Å; F110-H122 HydrophobicContact CB-CB 4.48Å; F110-H122 PolarHBondContact N-O 3Å; F110-H122 PolarHBondContact O-N 3.31Å; F110-I124 HydrophobicContact CB-CD1 4.17Å; F110-F134 HydrophobicContact CB-CD1 4.4Å; F110-F134 HydrophobicContact CB-CE1 4.05Å; F110-F134 HydrophobicContact CD1-CD1 4.24Å; F110-F134 AromaticContact CD1-CE1 3.62Å; F110-F134 HydrophobicContact CD1-CE1 3.62Å; F110-F134 HydrophobicContact CD2-CD1 4.27Å; F110-F134 HydrophobicContact CD2-CE1 4.43Å; F110-F134 HydrophobicContact CE1-CE1 4.18Å; F110-F134 HydrophobicContact CG-CD1 4.04Å; F110-F134 AromaticContact CG-CE1 3.77Å; F110-F134 HydrophobicContact CG-CE1 3.77Å; F110-V138 HydrophobicContact CE1-CB 3.97Å; F110-V138 HydrophobicContact CE1-CG1 3.83Å; F110-V138 HydrophobicContact CE1-CG2 4.04Å; F110-V138 HydrophobicContact CZ-CB 4.04Å; F110-V138 HydrophobicContact CZ-CG1 4.16Å; F110-V138 HydrophobicContact CZ-CG2 4.45Å
111	A	75.4	Confident	73.9	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.008	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.9	176.1	0	0	0	0	0	111.2	V7 Y109 F120 A121	V7-A111 WeakPolarHBondContact CA-O 3.43Å; V7-A111 WeakPolarHBondContact CB-O 3.44Å; V7-A111 PolarHBondContact N-O 2.75Å; Y109-A111 HydrophobicContact CD2-CB 3.79Å; Y109-A111 HydrophobicContact CE2-CB 3.56Å; A111-F120 CarbonylContact C-O 3.51Å; A111-F120 WeakPolarHBondContact CA-O 2.95Å; A111-A121 HydrophobicContact CB-CB 4.21Å
112	V	74.3	Confident	73.8	Confident	5 Å²	5	72 Å²	72	3%	0.03	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	112.2	174.4	-174.8	0	0	0	0	109	V7 F110 F114 G119 F120 V138 L139 M142	V7-V112 HydrophobicContact CG2-CG2 4.35Å; F110-V112 HydrophobicContact CD1-CG2 4.32Å; F110-V112 HydrophobicContact CE1-CG2 3.32Å; F110-V112 HydrophobicContact CE2-CG2 4.42Å; F110-V112 HydrophobicContact CZ-CG2 3.36Å; V112-F114 HydrophobicContact CG1-CE1 4.45Å; V112-F114 HydrophobicContact CG1-CZ 4.27Å; V112-G119 CarbonylContact O-C 3.47Å; V112-G119 VanDerWaalsContact O-C 3.29Å; V112-G119 WeakPolarHBondContact O-CA 3.43Å; V112-F120 PolarHBondContact N-O 2.93Å; V112-F120 PolarHBondContact O-N 3.47Å; V112-V138 HydrophobicContact CG2-CG1 4.3Å; V112-L139 HydrophobicContact CG1-CD2 4.36Å; V112-M142 HydrophobicContact CG1-CE 3.68Å; V112-M142 HydrophobicContact CG1-SD 4.11Å
113	H	68.5	Low	73.9	Confident	76 Å²	76	72 Å²	72	35%	0.352	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.2	-179.2	-75.9	-94.8	0	0	0	112.4	V7	V7-H113 PolarHBondContact O-CD2 3.37Å; V7-H113 VanDerWaalsContact O-CD2 3.23Å
114	F	70.6	Confident	73.8	Confident	89 Å²	89	72.2 Å²	72.2	39%	0.39	41%	0.409	S	S	.	.			trans	-100.4	81.2	177.4	-57.3	-75.4	0	0	0	110.6	V112 C116 R117 G118 F120 M142	V112-F114 HydrophobicContact CG1-CE1 4.45Å; V112-F114 HydrophobicContact CG1-CZ 4.27Å; F114-C116 PolarHBondContact O-N 3.14Å; F114-C116 VanDerWaalsContact O-N 3.14Å; F114-R117 PolarHBondContact O-N 3.31Å; F114-R117 VanDerWaalsContact O-N 3.14Å; F114-G118 PolarHBondContact N-O 3.35Å; F114-F120 AromaticContact CE2-CD2 3.38Å; F114-F120 HydrophobicContact CE2-CD2 3.38Å; F114-F120 AromaticContact CE2-CE2 3.38Å; F114-F120 HydrophobicContact CE2-CE2 3.38Å; F114-F120 HydrophobicContact CE2-CG 4.36Å; F114-F120 HydrophobicContact CE2-CZ 4.36Å; F114-F120 AromaticContact CZ-CD2 3.62Å; F114-F120 HydrophobicContact CZ-CD2 3.62Å; F114-F120 AromaticContact CZ-CE2 3.52Å; F114-F120 HydrophobicContact CZ-CE2 3.52Å; F114-M142 HydrophobicContact CD1-CE 4.36Å; F114-M142 HydrophobicContact CE1-CE 3.11Å; F114-M142 HydrophobicContact CE1-SD 4.45Å; F114-M142 HydrophobicContact CZ-CE 3.23Å; F114-M142 HydrophobicContact CZ-SD 4.02Å
115	G	66.8	Low	73.8	Confident	45 Å²	45	78 Å²	78	46%	0.464	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-119.9	-174.2	0	0	0	0	0	111.3	N9	N9-G115 PolarHBondContact ND2-O 3.36Å
116	C	67.8	Low	73.8	Confident	127 Å²	127	74.1 Å²	74.1	86%	0.858	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	2.2	-179.3	-60	0	0	0	0	114.1	F114	F114-C116 PolarHBondContact O-N 3.14Å; F114-C116 VanDerWaalsContact O-N 3.14Å
117	R	61.5	Low	73.5	Confident	246 Å²	246	73.3 Å²	73.3	93%	0.928	40%	0.395	S	S	*	.	S	Bend	trans	-92.6	-3.1	-170.2	-76.6	-174.3	163.8	173.9	-4.2	114.6	F114	F114-R117 PolarHBondContact O-N 3.31Å; F114-R117 VanDerWaalsContact O-N 3.14Å
118	G	68.6	Low	73.6	Confident	35 Å²	35	74.7 Å²	74.7	36%	0.361	41%	0.407	S	S	.	.			trans	132.1	-165.5	-177.1	0	0	0	0	0	111.2	F114	F114-G118 PolarHBondContact N-O 3.35Å
119	G	74.9	Confident	73.8	Confident	40 Å²	40	80.5 Å²	80.5	41%	0.412	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	167.8	-178.4	0	0	0	0	0	111.5	V112	V112-G119 CarbonylContact O-C 3.47Å; V112-G119 VanDerWaalsContact O-C 3.29Å; V112-G119 WeakPolarHBondContact O-CA 3.43Å
120	F	76	Confident	73.7	Confident	130 Å²	130	81.3 Å²	81.3	57%	0.57	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.3	164.8	-64.2	-65.9	0	0	0	109.1	A111 V112 F114	A111-F120 CarbonylContact C-O 3.51Å; A111-F120 WeakPolarHBondContact CA-O 2.95Å; V112-F120 PolarHBondContact N-O 2.93Å; V112-F120 PolarHBondContact O-N 3.47Å; F114-F120 AromaticContact CE2-CD2 3.38Å; F114-F120 HydrophobicContact CE2-CD2 3.38Å; F114-F120 AromaticContact CE2-CE2 3.38Å; F114-F120 HydrophobicContact CE2-CE2 3.38Å; F114-F120 HydrophobicContact CE2-CG 4.36Å; F114-F120 HydrophobicContact CE2-CZ 4.36Å; F114-F120 AromaticContact CZ-CD2 3.62Å; F114-F120 HydrophobicContact CZ-CD2 3.62Å; F114-F120 AromaticContact CZ-CE2 3.52Å; F114-F120 HydrophobicContact CZ-CE2 3.52Å
121	A	80.8	Confident	73.5	Confident	80 Å²	80	82.8 Å²	82.8	66%	0.661	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.1	168.1	0	0	0	0	0	108.4	F110 A111	F110-A121 CarbonylContact O-C 3.41Å; F110-A121 VanDerWaalsContact O-CA 3.29Å; F110-A121 WeakPolarHBondContact O-CA 3.38Å; A111-A121 HydrophobicContact CB-CB 4.21Å
122	H	78.1	Confident	73.2	Confident	92 Å²	92	85.3 Å²	85.3	43%	0.426	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.3	176	-176.1	72.6	0	0	0	108	Y109 F110 I124 F134	Y109-H122 CarbonylContact C-O 3.56Å; Y109-H122 VanDerWaalsContact CA-O 3.26Å; Y109-H122 WeakPolarHBondContact CA-O 3.24Å; Y109-H122 WeakPolarHBondContact CB-O 3.45Å; F110-H122 HydrophobicContact CB-CB 4.48Å; F110-H122 PolarHBondContact N-O 3Å; F110-H122 PolarHBondContact O-N 3.31Å; H122-I124 PolarHBondContact O-N 3.36Å; H122-F134 HydrophobicContact CB-CE1 4.44Å
123	V	81	Confident	73.1	Confident	72 Å²	72	88.6 Å²	88.6	44%	0.436	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.5	175.5	179	0	0	0	0	108.3	F107 E125	F107-V123 HydrophobicContact CD2-CG1 4.01Å; F107-V123 HydrophobicContact CD2-CG2 4.01Å; F107-V123 HydrophobicContact CE2-CG2 3.97Å; V123-E125 HydrophobicContact CG1-CG 4.44Å
124	I	76.5	Confident	73.6	Confident	15 Å²	15	87.4 Å²	87.4	8%	0.077	48%	0.475	C	S	.	.			trans	-95.1	98.7	179.7	-56.6	-176.9	0	0	0	107.5	W4 S108 F110 H122 E127 I130	W4-I124 HydrophobicContact CE3-CD1 4.36Å; W4-I124 HydrophobicContact CZ3-CB 4.49Å; W4-I124 HydrophobicContact CZ3-CD1 3.87Å; S108-I124 VanDerWaalsContact CB-O 3.25Å; S108-I124 WeakPolarHBondContact CB-O 3.35Å; S108-I124 PolarHBondContact O-N 2.74Å; F110-I124 HydrophobicContact CB-CD1 4.17Å; H122-I124 PolarHBondContact O-N 3.36Å; I124-E127 HydrophobicContact CG2-CG 3.94Å; I124-I130 HydrophobicContact CB-CD1 3.85Å; I124-I130 HydrophobicContact CD1-CD1 3.88Å; I124-I130 HydrophobicContact CG1-CD1 3.45Å; I124-I130 VanDerWaalsContact CG1-CD1 3.45Å; I124-I130 HydrophobicContact CG2-CD1 3.53Å; I124-I130 HydrophobicContact CG2-CG1 4.37Å
125	E	77.7	Confident	73.8	Confident	186 Å²	186	83.6 Å²	83.6	87%	0.869	46%	0.461	S	S	*	.	S	Bend	trans	-79.9	-39.4	177.7	-62.7	-177.8	173.7	0	0	111.9	V123	V123-E125 HydrophobicContact CG1-CG 4.44Å
126	N	77	Confident	74.3	Confident	72 Å²	72	83.8 Å²	83.8	39%	0.385	45%	0.45	S	S	.	.			trans	-134.4	107.2	179.8	-172.2	-12.7	0	0	0	110.3	N128 L129	N126-N128 PolarHBondContact O-N 3.48Å; N126-N128 VanDerWaalsContact O-N 3.17Å; N126-N128 WeakPolarHBondContact OD1-CB 3.37Å; N126-N128 PolarHBondContact OD1-N 3.39Å; N126-N128 VanDerWaalsContact OD1-N 3.07Å; N126-N128 PolarHBondContact OD1-ND2 2.97Å; N126-N128 VanDerWaalsContact OD1-ND2 3.13Å; N126-L129 HydrophobicContact CB-CD1 3.96Å; N126-L129 HydrophobicContact CB-CG 4.05Å; N126-L129 PolarHBondContact O-N 3.4Å; N126-L129 VanDerWaalsContact O-N 3.12Å
127	E	69.6	Low	74.9	Confident	68 Å²	68	81.3 Å²	81.3	32%	0.318	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.4	-180	-68	173.3	-144	0	0	113.4	S2 W4 I124 L129 I130	S2-E127 VanDerWaalsContact CB-OE2 3.29Å; S2-E127 WeakPolarHBondContact CB-OE2 3.46Å; S2-E127 PolarHBondContact OG-OE2 2.64Å; W4-E127 HydrophobicContact CH2-CG 4.09Å; W4-E127 VanDerWaalsContact CZ2-CD 3.5Å; W4-E127 HydrophobicContact CZ2-CG 4.09Å; W4-E127 WeakPolarHBondContact CZ2-OE1 3.28Å; I124-E127 HydrophobicContact CG2-CG 3.94Å; E127-L129 VanDerWaalsContact C-N 3.25Å; E127-L129 PolarHBondContact O-N 3.48Å; E127-I130 PolarHBondContact O-N 3.47Å
128	N	75.1	Confident	75.8	Confident	139 Å²	139	71.4 Å²	71.4	74%	0.743	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-73.7	-18.6	-179.3	-58.5	-62.9	0	0	0	113	N126	N126-N128 PolarHBondContact O-N 3.48Å; N126-N128 VanDerWaalsContact O-N 3.17Å; N126-N128 WeakPolarHBondContact OD1-CB 3.37Å; N126-N128 PolarHBondContact OD1-N 3.39Å; N126-N128 VanDerWaalsContact OD1-N 3.07Å; N126-N128 PolarHBondContact OD1-ND2 2.97Å; N126-N128 VanDerWaalsContact OD1-ND2 3.13Å
129	L	76.6	Confident	76.2	Confident	143 Å²	143	71.3 Å²	71.3	75%	0.749	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-87.2	-17.4	178.4	-62.5	-179.4	0	0	0	112.3	N126 E127	N126-L129 HydrophobicContact CB-CD1 3.96Å; N126-L129 HydrophobicContact CB-CG 4.05Å; N126-L129 PolarHBondContact O-N 3.4Å; N126-L129 VanDerWaalsContact O-N 3.12Å; E127-L129 VanDerWaalsContact C-N 3.25Å; E127-L129 PolarHBondContact O-N 3.48Å
130	I	73.9	Confident	76.4	Confident	37 Å²	37	69.5 Å²	69.5	19%	0.19	36%	0.364	C	S	.	.	S	Bend	trans	-94.8	131.1	-175.4	-62.6	-167.6	0	0	0	109.6	I124 E127 F134	I124-I130 HydrophobicContact CB-CD1 3.85Å; I124-I130 HydrophobicContact CD1-CD1 3.88Å; I124-I130 HydrophobicContact CG1-CD1 3.45Å; I124-I130 VanDerWaalsContact CG1-CD1 3.45Å; I124-I130 HydrophobicContact CG2-CD1 3.53Å; I124-I130 HydrophobicContact CG2-CG1 4.37Å; E127-I130 PolarHBondContact O-N 3.47Å; I130-F134 HydrophobicContact CG2-CB 3.43Å; I130-F134 VanDerWaalsContact CG2-CB 3.43Å; I130-F134 HydrophobicContact CG2-CD1 3.93Å; I130-F134 HydrophobicContact CG2-CD2 4.37Å; I130-F134 HydrophobicContact CG2-CG 3.66Å
131	S	73.8	Confident	76.8	Confident	41 Å²	41	66.2 Å²	66.2	29%	0.287	37%	0.367	S	S	.	.			trans	-56.3	134.5	173.7	177.7	0	0	0	0	109.7	W133 F134 E137	S131-W133 PolarHBondContact O-N 3.13Å; S131-W133 PolarHBondContact OG-N 2.95Å; S131-F134 WeakPolarHBondContact O-CB 2.98Å; S131-F134 PolarHBondContact O-N 3.38Å; S131-E137 PolarHBondContact OG-OE1 3.19Å
132	P	67.2	Low	76.8	Confident	54 Å²	54	66 Å²	66	35%	0.351	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-29.5	165.9	-35.5	41.5	0	0	0	114.4	W3	W3-P132 VanDerWaalsContact CD1-CB 3.42Å; W3-P132 HydrophobicContact CG-CB 4.18Å
133	W	73.7	Confident	76.9	Confident	73 Å²	73	65 Å²	65	28%	0.277	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5	-177.1	-54.6	101.7	0	0	0	113.1	S131 G135 Q136 E137 W150	S131-W133 PolarHBondContact O-N 3.13Å; S131-W133 PolarHBondContact OG-N 2.95Å; W133-G135 PolarHBondContact O-N 2.82Å; W133-G135 VanDerWaalsContact O-N 3.15Å; W133-Q136 HydrophobicContact CE3-CG 4.38Å; W133-Q136 CarbonylContact O-C 3.29Å; W133-Q136 WeakPolarHBondContact O-CA 3.38Å; W133-Q136 PolarHBondContact O-N 3.4Å; W133-Q136 PolarHBondContact O-OE1 2.9Å; W133-E137 HydrophobicContact CB-CG 4.22Å; W133-E137 WeakPolarHBondContact O-CB 3.3Å; W133-E137 WeakPolarHBondContact O-CG 3.34Å; W133-E137 PolarHBondContact O-N 3.43Å; W133-W150 HydrophobicContact CB-CZ3 4.03Å; W133-W150 HydrophobicContact CG-CZ3 4.49Å
134	F	77.5	Confident	77.1	Confident	52 Å²	52	69 Å²	69	23%	0.228	37%	0.37	C	S	.	.	H	α-helix	trans	-52.9	-41.9	-172.5	177	-109.2	0	0	0	112.5	F110 H122 I130 S131 E137 V138	F110-F134 HydrophobicContact CB-CD1 4.4Å; F110-F134 HydrophobicContact CB-CE1 4.05Å; F110-F134 HydrophobicContact CD1-CD1 4.24Å; F110-F134 AromaticContact CD1-CE1 3.62Å; F110-F134 HydrophobicContact CD1-CE1 3.62Å; F110-F134 HydrophobicContact CD2-CD1 4.27Å; F110-F134 HydrophobicContact CD2-CE1 4.43Å; F110-F134 HydrophobicContact CE1-CE1 4.18Å; F110-F134 HydrophobicContact CG-CD1 4.04Å; F110-F134 AromaticContact CG-CE1 3.77Å; F110-F134 HydrophobicContact CG-CE1 3.77Å; H122-F134 HydrophobicContact CB-CE1 4.44Å; I130-F134 HydrophobicContact CG2-CB 3.43Å; I130-F134 VanDerWaalsContact CG2-CB 3.43Å; I130-F134 HydrophobicContact CG2-CD1 3.93Å; I130-F134 HydrophobicContact CG2-CD2 4.37Å; I130-F134 HydrophobicContact CG2-CG 3.66Å; S131-F134 WeakPolarHBondContact O-CB 2.98Å; S131-F134 PolarHBondContact O-N 3.38Å; F134-E137 PolarHBondContact O-N 3.34Å; F134-V138 HydrophobicContact CD1-CG2 4.47Å; F134-V138 HydrophobicContact CD2-CG2 4.22Å; F134-V138 HydrophobicContact CE1-CG2 4.12Å; F134-V138 HydrophobicContact CE2-CG2 3.84Å; F134-V138 HydrophobicContact CZ-CG2 3.79Å; F134-V138 WeakPolarHBondContact O-CB 3.39Å; F134-V138 VanDerWaalsContact O-CG2 3.28Å; F134-V138 WeakPolarHBondContact O-CG2 3.33Å; F134-V138 PolarHBondContact O-N 2.88Å
135	G	75.1	Confident	77.4	Confident	8 Å²	8	69.8 Å²	69.8	8%	0.082	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-43.7	176.8	0	0	0	0	0	113.1	W133 V138 L139	W133-G135 PolarHBondContact O-N 2.82Å; W133-G135 VanDerWaalsContact O-N 3.15Å; G135-V138 PolarHBondContact O-N 3.27Å; G135-L139 WeakPolarHBondContact O-CB 3.49Å; G135-L139 VanDerWaalsContact O-CG 3.26Å; G135-L139 WeakPolarHBondContact O-CG 3.37Å; G135-L139 PolarHBondContact O-N 3.31Å
136	Q	77.2	Confident	77.6	Confident	50 Å²	50	65 Å²	65	23%	0.234	36%	0.356	C	S	.	.	H	α-helix	trans	-69.3	-33.8	176.2	-63.1	86.7	-21.8	0	0	112.1	W133 G140 W150	W133-Q136 HydrophobicContact CE3-CG 4.38Å; W133-Q136 CarbonylContact O-C 3.29Å; W133-Q136 WeakPolarHBondContact O-CA 3.38Å; W133-Q136 PolarHBondContact O-N 3.4Å; W133-Q136 PolarHBondContact O-OE1 2.9Å; Q136-G140 WeakPolarHBondContact O-CA 3.32Å; Q136-G140 PolarHBondContact O-N 3.12Å; Q136-W150 HydrophobicContact CB-CD2 4.37Å; Q136-W150 HydrophobicContact CB-CE3 3.78Å; Q136-W150 HydrophobicContact CB-CZ3 4.41Å
137	E	80.7	Confident	78	Confident	74 Å²	74	68.9 Å²	68.9	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-45.5	174.3	-73.8	168.2	-168.4	0	0	110.6	S131 W133 F134 G140 G141 W150	S131-E137 PolarHBondContact OG-OE1 3.19Å; W133-E137 HydrophobicContact CB-CG 4.22Å; W133-E137 WeakPolarHBondContact O-CB 3.3Å; W133-E137 WeakPolarHBondContact O-CG 3.34Å; W133-E137 PolarHBondContact O-N 3.43Å; F134-E137 PolarHBondContact O-N 3.34Å; E137-G140 PolarHBondContact O-N 2.83Å; E137-G141 PolarHBondContact O-N 3.21Å; E137-W150 HydrophobicContact CB-CH2 4.48Å; E137-W150 HydrophobicContact CG-CH2 3.4Å; E137-W150 HydrophobicContact CG-CZ2 3.88Å; E137-W150 HydrophobicContact CG-CZ3 3.93Å
138	V	80.9	Confident	78.7	Confident	39 Å²	39	68.4 Å²	68.4	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-48.7	175.7	173	0	0	0	0	110.5	F110 V112 F134 G135 G141 M142	F110-V138 HydrophobicContact CE1-CB 3.97Å; F110-V138 HydrophobicContact CE1-CG1 3.83Å; F110-V138 HydrophobicContact CE1-CG2 4.04Å; F110-V138 HydrophobicContact CZ-CB 4.04Å; F110-V138 HydrophobicContact CZ-CG1 4.16Å; F110-V138 HydrophobicContact CZ-CG2 4.45Å; V112-V138 HydrophobicContact CG2-CG1 4.3Å; F134-V138 HydrophobicContact CD1-CG2 4.47Å; F134-V138 HydrophobicContact CD2-CG2 4.22Å; F134-V138 HydrophobicContact CE1-CG2 4.12Å; F134-V138 HydrophobicContact CE2-CG2 3.84Å; F134-V138 HydrophobicContact CZ-CG2 3.79Å; F134-V138 WeakPolarHBondContact O-CB 3.39Å; F134-V138 VanDerWaalsContact O-CG2 3.28Å; F134-V138 WeakPolarHBondContact O-CG2 3.33Å; F134-V138 PolarHBondContact O-N 2.88Å; G135-V138 PolarHBondContact O-N 3.27Å; V138-G141 PolarHBondContact O-N 3.02Å; V138-M142 HydrophobicContact CG1-CG 4.38Å; V138-M142 HydrophobicContact CG1-SD 3.62Å; V138-M142 WeakPolarHBondContact O-CB 3.49Å; V138-M142 WeakPolarHBondContact O-CG 3.45Å; V138-M142 PolarHBondContact O-N 3.33Å
139	L	76.8	Confident	78.8	Confident	33 Å²	33	65 Å²	65	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-42.5	177.9	-71.2	174.2	0	0	0	111.9	V112 G135 M142 L143	V112-L139 HydrophobicContact CG1-CD2 4.36Å; G135-L139 WeakPolarHBondContact O-CB 3.49Å; G135-L139 VanDerWaalsContact O-CG 3.26Å; G135-L139 WeakPolarHBondContact O-CG 3.37Å; G135-L139 PolarHBondContact O-N 3.31Å; L139-M142 PolarHBondContact O-N 3.5Å; L139-L143 VanDerWaalsContact O-CB 3.31Å; L139-L143 WeakPolarHBondContact O-CB 3.2Å; L139-L143 WeakPolarHBondContact O-CD1 3.18Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 3.45Å
140	G	80.2	Confident	78.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-44.7	178	0	0	0	0	0	111.9	Q136 E137 L143 D144 V145	Q136-G140 WeakPolarHBondContact O-CA 3.32Å; Q136-G140 PolarHBondContact O-N 3.12Å; E137-G140 PolarHBondContact O-N 2.83Å; G140-L143 PolarHBondContact O-N 2.85Å; G140-D144 PolarHBondContact O-N 3.48Å; G140-V145 PolarHBondContact O-N 2.88Å
141	G	83.7	Confident	79.1	Confident	61 Å²	61	64 Å²	64	63%	0.629	34%	0.338	S	S	*	.	H	α-helix	trans	-65.3	-37.8	174.7	0	0	0	0	0	112.9	E137 V138 L143 D144	E137-G141 PolarHBondContact O-N 3.21Å; V138-G141 PolarHBondContact O-N 3.02Å; G141-L143 VanDerWaalsContact C-N 3.34Å; G141-D144 PolarHBondContact O-N 2.92Å
142	M	81.3	Confident	79.4	Confident	75 Å²	75	67.8 Å²	67.8	37%	0.369	36%	0.355	S	S	.	.	H	α-helix	trans	-69.5	-30.4	176.4	-75.3	172	42.2	0	0	113.7	V112 F114 V138 L139	V112-M142 HydrophobicContact CG1-CE 3.68Å; V112-M142 HydrophobicContact CG1-SD 4.11Å; F114-M142 HydrophobicContact CD1-CE 4.36Å; F114-M142 HydrophobicContact CE1-CE 3.11Å; F114-M142 HydrophobicContact CE1-SD 4.45Å; F114-M142 HydrophobicContact CZ-CE 3.23Å; F114-M142 HydrophobicContact CZ-SD 4.02Å; V138-M142 HydrophobicContact CG1-CG 4.38Å; V138-M142 HydrophobicContact CG1-SD 3.62Å; V138-M142 WeakPolarHBondContact O-CB 3.49Å; V138-M142 WeakPolarHBondContact O-CG 3.45Å; V138-M142 PolarHBondContact O-N 3.33Å; L139-M142 PolarHBondContact O-N 3.5Å
143	L	80.2	Confident	79.9	Confident	73 Å²	73	67.3 Å²	67.3	38%	0.382	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.6	-179	-65.6	170.1	0	0	0	113.1	F74 V75 L139 G140 G141 V145	F74-L143 HydrophobicContact CB-CD1 4.26Å; V75-L143 HydrophobicContact CG1-CD1 3.5Å; V75-L143 VanDerWaalsContact CG1-CD1 3.5Å; V75-L143 HydrophobicContact CG1-CD2 3.5Å; V75-L143 VanDerWaalsContact CG1-CD2 3.5Å; V75-L143 HydrophobicContact CG1-CG 4.13Å; L139-L143 VanDerWaalsContact O-CB 3.31Å; L139-L143 WeakPolarHBondContact O-CB 3.2Å; L139-L143 WeakPolarHBondContact O-CD1 3.18Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 3.45Å; G140-L143 PolarHBondContact O-N 2.85Å; G141-L143 VanDerWaalsContact C-N 3.34Å; L143-V145 HydrophobicContact CB-CG2 3.6Å; L143-V145 PolarHBondContact O-N 3.5Å
144	D	85	Confident	80.4	Confident	155 Å²	155	69.7 Å²	69.7	83%	0.829	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.5	-173.1	-161	31.9	0	0	0	112.5	G140 G141	G140-D144 PolarHBondContact O-N 3.48Å; G141-D144 PolarHBondContact O-N 2.92Å
145	V	81.3	Confident	80.9	Confident	32 Å²	32	74.5 Å²	74.5	19%	0.194	39%	0.393	C	S	.	.			trans	-98.5	130	-178.7	177.4	0	0	0	0	109.5	F74 G140 L143 V149 W150	F74-V145 HydrophobicContact CB-CG2 4.38Å; F74-V145 HydrophobicContact CD1-CG1 4.35Å; G140-V145 PolarHBondContact O-N 2.88Å; L143-V145 HydrophobicContact CB-CG2 3.6Å; L143-V145 PolarHBondContact O-N 3.5Å; V145-V149 HydrophobicContact CG1-CB 3.7Å; V145-V149 HydrophobicContact CG1-CG1 3.76Å; V145-V149 HydrophobicContact CG1-CG2 4.49Å; V145-W150 PolarHBondContact O-NE1 3.34Å
146	D	83.3	Confident	81.6	Confident	86 Å²	86	75.4 Å²	75.4	46%	0.46	40%	0.395	S	S	.	.			trans	-58.1	144.1	178.5	-176.1	-96.3	0	0	0	112.5	S148 V149	D146-S148 PolarHBondContact O-N 2.76Å; D146-S148 VanDerWaalsContact O-N 3.12Å; D146-S148 WeakPolarHBondContact OD1-CB 3.38Å; D146-S148 PolarHBondContact OD1-N 3.15Å; D146-S148 PolarHBondContact OD1-OG 2.9Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 WeakPolarHBondContact O-CB 3.48Å; D146-V149 PolarHBondContact O-N 3.27Å
147	Y	85.1	Confident	82.4	Confident	152 Å²	152	80.9 Å²	80.9	60%	0.596	42%	0.418	S	S	*	.	H	α-helix	trans	-55.4	-33.5	-177.4	86.5	-80.3	0	0	0	113.5	V149 R151	Y147-V149 PolarHBondContact O-N 2.95Å; Y147-R151 WeakPolarHBondContact O-CB 3.37Å; Y147-R151 PolarHBondContact O-N 2.99Å; Y147-R151 VanDerWaalsContact O-N 3.08Å
148	S	83.4	Confident	83	Confident	58 Å²	58	82.5 Å²	82.5	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-65.8	-29.8	-179.2	65.2	0	0	0	0	112.3	D146 N152	D146-S148 PolarHBondContact O-N 2.76Å; D146-S148 VanDerWaalsContact O-N 3.12Å; D146-S148 WeakPolarHBondContact OD1-CB 3.38Å; D146-S148 PolarHBondContact OD1-N 3.15Å; D146-S148 PolarHBondContact OD1-OG 2.9Å; S148-N152 PolarHBondContact O-N 2.95Å
149	V	78.2	Confident	83.7	Confident	68 Å²	68	87 Å²	87	41%	0.412	44%	0.442	S	S	.	.	H	α-helix	trans	-79.6	-44.8	-174.7	178.8	0	0	0	0	110.7	F74 V145 D146 Y147 N152	F74-V149 HydrophobicContact CD1-CG1 3.67Å; F74-V149 HydrophobicContact CE1-CG1 3.61Å; F74-V149 VanDerWaalsContact CE1-O 3.27Å; F74-V149 WeakPolarHBondContact CE1-O 3.29Å; V145-V149 HydrophobicContact CG1-CB 3.7Å; V145-V149 HydrophobicContact CG1-CG1 3.76Å; V145-V149 HydrophobicContact CG1-CG2 4.49Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 WeakPolarHBondContact O-CB 3.48Å; D146-V149 PolarHBondContact O-N 3.27Å; Y147-V149 PolarHBondContact O-N 2.95Å; V149-N152 CarbonylContact O-C 3.57Å
150	W	75.5	Confident	84.6	Confident	24 Å²	24	88.9 Å²	88.9	9%	0.091	46%	0.455	C	S	.	.	H	α-helix	trans	-83.3	-25.3	-179.5	62.2	-107	0	0	0	114.9	F74 W133 Q136 E137 V145	F74-W150 HydrophobicContact CD2-CB 4.17Å; F74-W150 HydrophobicContact CE1-CB 4.25Å; F74-W150 HydrophobicContact CE2-CB 3.5Å; F74-W150 HydrophobicContact CZ-CB 3.62Å; W133-W150 HydrophobicContact CB-CZ3 4.03Å; W133-W150 HydrophobicContact CG-CZ3 4.49Å; Q136-W150 HydrophobicContact CB-CD2 4.37Å; Q136-W150 HydrophobicContact CB-CE3 3.78Å; Q136-W150 HydrophobicContact CB-CZ3 4.41Å; E137-W150 HydrophobicContact CB-CH2 4.48Å; E137-W150 HydrophobicContact CG-CH2 3.4Å; E137-W150 HydrophobicContact CG-CZ2 3.88Å; E137-W150 HydrophobicContact CG-CZ3 3.93Å; V145-W150 PolarHBondContact O-NE1 3.34Å
151	R	80.8	Confident	85.3	Confident	135 Å²	135	89.1 Å²	89.1	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-78.9	-26.9	176	-167.4	177.1	-175.5	110.8	-1.6	113	Y147	Y147-R151 WeakPolarHBondContact O-CB 3.37Å; Y147-R151 PolarHBondContact O-N 2.99Å; Y147-R151 VanDerWaalsContact O-N 3.08Å
152	N	81.1	Confident	85.9	Confident	120 Å²	120	88 Å²	88	64%	0.642	44%	0.435	S	S	*	.	S	Bend	trans	-130.6	73.2	176.7	-170.6	22.4	0	0	0	111	S148 V149 L154	S148-N152 PolarHBondContact O-N 2.95Å; V149-N152 CarbonylContact O-C 3.57Å; N152-L154 PolarHBondContact O-N 3.35Å
153	P	77.6	Confident	86.5	Confident	44 Å²	44	88 Å²	88	29%	0.286	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-59.3	130.9	-178.3	-21.8	33	0	0	0	111.3	C71 F74 H155	C71-P153 HydrophobicContact CB-CB 3.47Å; C71-P153 VanDerWaalsContact CB-CB 3.47Å; F74-P153 HydrophobicContact CZ-CB 4.39Å; F74-P153 HydrophobicContact CZ-CG 4.22Å; P153-H155 PolarHBondContact O-N 2.92Å
154	L	84	Confident	87.1	Confident	123 Å²	123	86.1 Å²	86.1	64%	0.644	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-63.3	126.9	179.2	-66.7	174.6	0	0	0	110.6	C71 K72 N152 E156	C71-L154 WeakPolarHBondContact CA-O 3.2Å; K72-L154 HydrophobicContact CB-CB 4.35Å; K72-L154 PolarHBondContact N-O 3.36Å; N152-L154 PolarHBondContact O-N 3.35Å; L154-E156 PolarHBondContact O-N 2.73Å
155	H	88	Confident	87.6	Confident	154 Å²	154	79 Å²	79	71%	0.713	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-69.9	118.7	174.3	-177.5	-77.6	0	0	0	110.2	P153	P153-H155 PolarHBondContact O-N 2.92Å
156	E	89.5	Confident	88.3	Confident	27 Å²	27	84.5 Å²	84.5	13%	0.126	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-81.8	145.1	177.4	-70.8	-171.5	142	0	0	111.7	K72 L154 V160 Q161 R164	K72-E156 HydrophobicContact CB-CG 3.77Å; L154-E156 PolarHBondContact O-N 2.73Å; E156-V160 HydrophobicContact CB-CB 4.46Å; E156-V160 HydrophobicContact CB-CG1 4.47Å; E156-V160 HydrophobicContact CG-CG1 4.41Å; E156-Q161 HydrophobicContact CB-CG 3.9Å; E156-Q161 PolarHBondContact O-NE2 3.44Å; E156-R164 IonicContact OE2-CZ 2.82Å; E156-R164 VanDerWaalsContact OE2-CZ 3.26Å; E156-R164 IonicContact OE2-NE 3.32Å; E156-R164 PolarHBondContact OE2-NE 3.43Å; E156-R164 VanDerWaalsContact OE2-NE 3.13Å; E156-R164 IonicContact OE2-NH2 2.68Å; E156-R164 PolarHBondContact OE2-NH2 3.37Å
157	K	93.3	Very high	88.7	Confident	165 Å²	165	85.5 Å²	85.5	72%	0.717	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-68.5	150.1	172.2	-64.8	-178.8	-177.7	178	0	109.9	Q159 V160 Q161	K157-Q159 VanDerWaalsContact C-N 3.26Å; K157-Q159 PolarHBondContact O-N 3.22Å; K157-Q159 VanDerWaalsContact O-N 3.11Å; K157-V160 WeakPolarHBondContact O-CB 3.29Å; K157-V160 PolarHBondContact O-N 3.33Å; K157-Q161 PolarHBondContact O-N 3.39Å; K157-Q161 VanDerWaalsContact O-N 3.13Å
158	F	94.5	Very high	89	Confident	107 Å²	107	78.6 Å²	78.6	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-49	-41.4	-179.3	179.9	-104.7	0	0	0	114.6	H55 V160 Q161 L162	H55-F158 HydrophobicContact CB-CE2 4.18Å; H55-F158 AromaticContact CD2-CD2 3.85Å; H55-F158 AromaticContact CD2-CE2 3.6Å; H55-F158 AromaticContact CE1-CD2 3.81Å; H55-F158 AromaticContact CE1-CE2 3.73Å; H55-F158 AromaticContact CG-CE2 3.55Å; H55-F158 AromaticContact ND1-CE2 3.66Å; H55-F158 AromaticContact NE2-CD2 3.57Å; H55-F158 AromaticContact NE2-CE2 3.71Å; F158-V160 PolarHBondContact O-N 3.03Å; F158-Q161 WeakPolarHBondContact O-CB 3.41Å; F158-Q161 PolarHBondContact O-N 2.79Å; F158-L162 HydrophobicContact CD1-CD1 3.77Å; F158-L162 HydrophobicContact CD1-CG 4.35Å; F158-L162 HydrophobicContact CE1-CD1 3.22Å; F158-L162 HydrophobicContact CE1-CG 3.95Å; F158-L162 HydrophobicContact CE2-CD1 4.47Å; F158-L162 HydrophobicContact CE2-CG 4.37Å; F158-L162 HydrophobicContact CZ-CD1 3.63Å; F158-L162 HydrophobicContact CZ-CD2 4.25Å; F158-L162 HydrophobicContact CZ-CG 3.95Å; F158-L162 WeakPolarHBondContact O-CG 2.75Å; F158-L162 PolarHBondContact O-N 3.13Å
159	Q	95.5	Very high	89.5	Confident	135 Å²	135	80.3 Å²	80.3	63%	0.631	39%	0.389	S	S	*	.	H	α-helix	trans	-66.6	-36.1	179.6	-66.5	-61.5	-21.5	0	0	113.1	K157 L162 S163	K157-Q159 VanDerWaalsContact C-N 3.26Å; K157-Q159 PolarHBondContact O-N 3.22Å; K157-Q159 VanDerWaalsContact O-N 3.11Å; Q159-L162 PolarHBondContact O-N 3.47Å; Q159-S163 WeakPolarHBondContact O-CB 3.44Å; Q159-S163 PolarHBondContact O-N 2.96Å
160	V	94.7	Very high	90.1	Very high	71 Å²	71	81 Å²	81	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-68.2	-45	176.7	-179.8	0	0	0	0	109.6	E156 K157 F158 L162 S163 R164	E156-V160 HydrophobicContact CB-CB 4.46Å; E156-V160 HydrophobicContact CB-CG1 4.47Å; E156-V160 HydrophobicContact CG-CG1 4.41Å; K157-V160 WeakPolarHBondContact O-CB 3.29Å; K157-V160 PolarHBondContact O-N 3.33Å; F158-V160 PolarHBondContact O-N 3.03Å; V160-L162 VanDerWaalsContact C-N 3.34Å; V160-L162 PolarHBondContact O-N 3.48Å; V160-S163 PolarHBondContact O-N 3.06Å; V160-R164 WeakPolarHBondContact O-CB 3.45Å; V160-R164 PolarHBondContact O-N 2.96Å
161	Q	94.8	Very high	90.7	Very high	6 Å²	6	83.5 Å²	83.5	3%	0.028	41%	0.409	C	S	.	.	H	α-helix	trans	-56.7	-44.7	173.8	-72.9	174.1	-5.4	0	0	112.3	H55 L56 P70 E156 K157 F158 T165	H55-Q161 PolarHBondContact NE2-OE1 3.24Å; L56-Q161 HydrophobicContact CD2-CB 3.75Å; L56-Q161 HydrophobicContact CD2-CG 4.11Å; P70-Q161 PolarHBondContact O-NE2 2.69Å; E156-Q161 HydrophobicContact CB-CG 3.9Å; E156-Q161 PolarHBondContact O-NE2 3.44Å; K157-Q161 PolarHBondContact O-N 3.39Å; K157-Q161 VanDerWaalsContact O-N 3.13Å; F158-Q161 WeakPolarHBondContact O-CB 3.41Å; F158-Q161 PolarHBondContact O-N 2.79Å; Q161-T165 WeakPolarHBondContact O-CB 3.39Å; Q161-T165 PolarHBondContact O-N 3.02Å; Q161-T165 PolarHBondContact O-OG1 3.14Å
162	L	95.7	Very high	91	Very high	39 Å²	39	77.5 Å²	77.5	20%	0.204	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-45.4	176	-81.8	177.7	0	0	0	112.4	H55 F158 Q159 V160 T165 K166	H55-L162 HydrophobicContact CB-CD2 3.76Å; F158-L162 HydrophobicContact CD1-CD1 3.77Å; F158-L162 HydrophobicContact CD1-CG 4.35Å; F158-L162 HydrophobicContact CE1-CD1 3.22Å; F158-L162 HydrophobicContact CE1-CG 3.95Å; F158-L162 HydrophobicContact CE2-CD1 4.47Å; F158-L162 HydrophobicContact CE2-CG 4.37Å; F158-L162 HydrophobicContact CZ-CD1 3.63Å; F158-L162 HydrophobicContact CZ-CD2 4.25Å; F158-L162 HydrophobicContact CZ-CG 3.95Å; F158-L162 WeakPolarHBondContact O-CG 2.75Å; F158-L162 PolarHBondContact O-N 3.13Å; Q159-L162 PolarHBondContact O-N 3.47Å; V160-L162 VanDerWaalsContact C-N 3.34Å; V160-L162 PolarHBondContact O-N 3.48Å; L162-T165 PolarHBondContact O-N 2.77Å; L162-K166 VanDerWaalsContact O-CG 3.32Å; L162-K166 WeakPolarHBondContact O-CG 3.47Å; L162-K166 PolarHBondContact O-N 2.92Å
163	S	95.1	Very high	91.3	Very high	75 Å²	75	74.8 Å²	74.8	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-49.2	178.8	178.2	0	0	0	0	111.2	Q159 V160 T165 K166 Q167	Q159-S163 WeakPolarHBondContact O-CB 3.44Å; Q159-S163 PolarHBondContact O-N 2.96Å; V160-S163 PolarHBondContact O-N 3.06Å; S163-T165 VanDerWaalsContact C-N 3.35Å; S163-T165 PolarHBondContact O-N 2.65Å; S163-K166 PolarHBondContact O-N 3.36Å; S163-Q167 PolarHBondContact O-N 2.94Å
164	R	93.6	Very high	91.7	Very high	33 Å²	33	77.6 Å²	77.6	13%	0.125	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-41.1	177	-175.5	169.4	50.9	108.9	-2.5	111.9	L68 P69 C71 E156 V160 Q167 F168	L68-R164 HydrophobicContact CD1-CB 4.48Å; L68-R164 HydrophobicContact CD1-CG 3.82Å; P69-R164 PolarHBondContact O-NH1 2.75Å; P69-R164 PolarHBondContact O-NH2 2.91Å; C71-R164 PolarHBondContact O-NH2 2.79Å; E156-R164 IonicContact OE2-CZ 2.82Å; E156-R164 VanDerWaalsContact OE2-CZ 3.26Å; E156-R164 IonicContact OE2-NE 3.32Å; E156-R164 PolarHBondContact OE2-NE 3.43Å; E156-R164 VanDerWaalsContact OE2-NE 3.13Å; E156-R164 IonicContact OE2-NH2 2.68Å; E156-R164 PolarHBondContact OE2-NH2 3.37Å; V160-R164 WeakPolarHBondContact O-CB 3.45Å; V160-R164 PolarHBondContact O-N 2.96Å; R164-Q167 PolarHBondContact O-N 3.25Å; R164-F168 WeakPolarHBondContact O-CB 3.38Å; R164-F168 PolarHBondContact O-N 3.36Å
165	T	94.4	Very high	91.6	Very high	4 Å²	4	75 Å²	75	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-40.3	177.5	-53.1	0	0	0	0	112	H55 V58 Q161 L162 S163 F168 K169	H55-T165 VanDerWaalsContact O-CG2 3.3Å; H55-T165 WeakPolarHBondContact O-CG2 3.46Å; V58-T165 HydrophobicContact CG2-CG2 4.41Å; Q161-T165 WeakPolarHBondContact O-CB 3.39Å; Q161-T165 PolarHBondContact O-N 3.02Å; Q161-T165 PolarHBondContact O-OG1 3.14Å; L162-T165 PolarHBondContact O-N 2.77Å; S163-T165 VanDerWaalsContact C-N 3.35Å; S163-T165 PolarHBondContact O-N 2.65Å; T165-F168 PolarHBondContact O-N 2.91Å; T165-K169 HydrophobicContact CG2-CD 4.36Å; T165-K169 WeakPolarHBondContact O-CB 3.44Å; T165-K169 WeakPolarHBondContact O-CG 3.32Å; T165-K169 PolarHBondContact O-N 2.9Å
166	K	95.3	Very high	91.4	Very high	149 Å²	149	69.3 Å²	69.3	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-62.4	-45	174.5	-74.3	175.3	-179.3	-177.9	0	111.7	L162 S163 K169 S170	L162-K166 VanDerWaalsContact O-CG 3.32Å; L162-K166 WeakPolarHBondContact O-CG 3.47Å; L162-K166 PolarHBondContact O-N 2.92Å; S163-K166 PolarHBondContact O-N 3.36Å; K166-K169 PolarHBondContact O-N 3.17Å; K166-S170 PolarHBondContact O-N 3.47Å; K166-S170 VanDerWaalsContact O-N 3.12Å
167	Q	93.6	Very high	90.9	Very high	107 Å²	107	71.8 Å²	71.8	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.8	-177.9	-177.4	5.1	0	0	111.8	S163 R164 S170 Q171	S163-Q167 PolarHBondContact O-N 2.94Å; R164-Q167 PolarHBondContact O-N 3.25Å; Q167-S170 PolarHBondContact O-N 2.93Å; Q167-S170 PolarHBondContact O-OG 3.49Å; Q167-Q171 WeakPolarHBondContact O-CG 3.48Å; Q167-Q171 PolarHBondContact O-N 2.98Å; Q167-Q171 VanDerWaalsContact O-N 3.13Å
168	F	91.3	Very high	90.2	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-41.4	177.8	-169.8	-83.5	0	0	0	111.2	F23 V58 L66 L68 C79 R164 T165 S170 Q171 W172	F23-F168 HydrophobicContact CD1-CD2 4.45Å; F23-F168 AromaticContact CD1-CE2 3.5Å; F23-F168 HydrophobicContact CD1-CE2 3.5Å; F23-F168 AromaticContact CD1-CZ 3.75Å; F23-F168 HydrophobicContact CD1-CZ 3.75Å; F23-F168 HydrophobicContact CE1-CD2 4.29Å; F23-F168 AromaticContact CE1-CE2 3.71Å; F23-F168 HydrophobicContact CE1-CE2 3.71Å; F23-F168 AromaticContact CE1-CZ 3.98Å; F23-F168 HydrophobicContact CE1-CZ 3.98Å; V58-F168 HydrophobicContact CB-CD1 4.23Å; V58-F168 HydrophobicContact CB-CE1 4.38Å; V58-F168 HydrophobicContact CG1-CD1 3.65Å; V58-F168 HydrophobicContact CG1-CE1 3.82Å; V58-F168 HydrophobicContact CG2-CD1 3.57Å; V58-F168 HydrophobicContact CG2-CE1 3.99Å; V58-F168 HydrophobicContact CG2-CG 4.46Å; L66-F168 HydrophobicContact CD2-CE1 4.03Å; L68-F168 HydrophobicContact CD1-CB 3.9Å; L68-F168 HydrophobicContact CD1-CG 4.3Å; L68-F168 HydrophobicContact CD2-CB 4.25Å; L68-F168 HydrophobicContact CD2-CD1 4.01Å; L68-F168 HydrophobicContact CD2-CD2 3.77Å; L68-F168 HydrophobicContact CD2-CE1 4.3Å; L68-F168 HydrophobicContact CD2-CE2 4.05Å; L68-F168 HydrophobicContact CD2-CG 3.74Å; L68-F168 HydrophobicContact CD2-CZ 4.32Å; L68-F168 HydrophobicContact CG-CG 4.49Å; C79-F168 HydrophobicContact CB-CE1 4.32Å; C79-F168 HydrophobicContact CB-CE2 4.05Å; C79-F168 HydrophobicContact CB-CZ 3.67Å; R164-F168 WeakPolarHBondContact O-CB 3.38Å; R164-F168 PolarHBondContact O-N 3.36Å; T165-F168 PolarHBondContact O-N 2.91Å; F168-S170 VanDerWaalsContact C-N 3.32Å; F168-S170 PolarHBondContact O-N 3.05Å; F168-Q171 PolarHBondContact O-N 2.76Å; F168-W172 HydrophobicContact CD1-CB 4.1Å; F168-W172 HydrophobicContact CE1-CB 3.94Å; F168-W172 HydrophobicContact CE1-CG 4.26Å; F168-W172 VanDerWaalsContact O-CB 3.23Å; F168-W172 WeakPolarHBondContact O-CB 3.47Å; F168-W172 PolarHBondContact O-N 3.21Å
169	K	92.4	Very high	89.2	Confident	94 Å²	94	64.4 Å²	64.4	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-42.1	175.3	-80.9	-179.9	175.9	-177.7	0	112.4	V57 V58 T165 K166 W172 A173	V57-K169 WeakPolarHBondContact O-CE 3.27Å; V57-K169 PolarHBondContact O-NZ 3.18Å; V58-K169 HydrophobicContact CG1-CG 4Å; T165-K169 HydrophobicContact CG2-CD 4.36Å; T165-K169 WeakPolarHBondContact O-CB 3.44Å; T165-K169 WeakPolarHBondContact O-CG 3.32Å; T165-K169 PolarHBondContact O-N 2.9Å; K166-K169 PolarHBondContact O-N 3.17Å; K169-W172 PolarHBondContact O-N 3.41Å; K169-A173 WeakPolarHBondContact O-CB 3.16Å; K169-A173 PolarHBondContact O-N 3.44Å
170	S	91.9	Very high	87.8	Confident	81 Å²	81	65.6 Å²	65.6	57%	0.566	34%	0.337	S	S	*	.	H	α-helix	trans	-67.7	-37	177.6	64.1	0	0	0	0	112.5	K166 Q167 F168	K166-S170 PolarHBondContact O-N 3.47Å; K166-S170 VanDerWaalsContact O-N 3.12Å; Q167-S170 PolarHBondContact O-N 2.93Å; Q167-S170 PolarHBondContact O-OG 3.49Å; F168-S170 VanDerWaalsContact C-N 3.32Å; F168-S170 PolarHBondContact O-N 3.05Å
171	Q	87.2	Confident	86.1	Confident	78 Å²	78	63.2 Å²	63.2	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-69.9	-35.9	174.8	-67.7	175.4	6.5	0	0	112.8	F23 Q167 F168 P174	F23-Q171 HydrophobicContact CE1-CB 4.35Å; F23-Q171 HydrophobicContact CZ-CB 4.14Å; Q167-Q171 WeakPolarHBondContact O-CG 3.48Å; Q167-Q171 PolarHBondContact O-N 2.98Å; Q167-Q171 VanDerWaalsContact O-N 3.13Å; F168-Q171 PolarHBondContact O-N 2.76Å; Q171-P174 WeakPolarHBondContact O-CD 3.43Å
172	W	87.4	Confident	84.4	Confident	9 Å²	9	69.6 Å²	69.6	3%	0.034	35%	0.351	C	S	.	.	H	α-helix	trans	-79	-26.7	-178.7	178.9	-109.4	0	0	0	113.3	I13 F25 V58 L66 F168 K169 P174 Y175 D176	I13-W172 HydrophobicContact CD1-CH2 3.89Å; I13-W172 HydrophobicContact CD1-CZ3 3.63Å; I13-W172 HydrophobicContact CG1-CH2 3.98Å; I13-W172 HydrophobicContact CG1-CZ3 4.16Å; F25-W172 HydrophobicContact CE1-CZ3 4.33Å; F25-W172 HydrophobicContact CZ-CH2 4.47Å; F25-W172 AromaticContact CZ-CZ3 3.99Å; F25-W172 HydrophobicContact CZ-CZ3 3.99Å; V58-W172 HydrophobicContact CG1-CB 4.23Å; V58-W172 HydrophobicContact CG1-CG 4.02Å; L66-W172 HydrophobicContact CD2-CD2 4.07Å; L66-W172 HydrophobicContact CD2-CG 4.45Å; L66-W172 HydrophobicContact CD2-CZ2 4.17Å; F168-W172 HydrophobicContact CD1-CB 4.1Å; F168-W172 HydrophobicContact CE1-CB 3.94Å; F168-W172 HydrophobicContact CE1-CG 4.26Å; F168-W172 VanDerWaalsContact O-CB 3.23Å; F168-W172 WeakPolarHBondContact O-CB 3.47Å; F168-W172 PolarHBondContact O-N 3.21Å; K169-W172 PolarHBondContact O-N 3.41Å; W172-P174 VanDerWaalsContact C-N 3.34Å; W172-P174 VanDerWaalsContact O-N 3.11Å; W172-Y175 HydrophobicContact CE3-CD2 4.35Å; W172-Y175 WeakPolarHBondContact O-CA 3.46Å; W172-Y175 PolarHBondContact O-N 2.93Å; W172-D176 PolarHBondContact O-N 3.38Å
173	A	87.2	Confident	82.2	Confident	62 Å²	62	72.4 Å²	72.4	51%	0.512	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-48	-41.3	-172.9	0	0	0	0	0	115.7	K169 Y175 D176	K169-A173 WeakPolarHBondContact O-CB 3.16Å; K169-A173 PolarHBondContact O-N 3.44Å; A173-Y175 PolarHBondContact O-N 3.13Å; A173-D176 PolarHBondContact O-N 3.22Å
174	P	85.9	Confident	79.8	Confident	104 Å²	104	77.5 Å²	77.5	68%	0.675	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21.5	177.6	-22.1	35.2	0	0	0	114.3	Q171 W172	Q171-P174 WeakPolarHBondContact O-CD 3.43Å; W172-P174 VanDerWaalsContact C-N 3.34Å; W172-P174 VanDerWaalsContact O-N 3.11Å
175	Y	81.9	Confident	77.3	Confident	69 Å²	69	80.5 Å²	80.5	27%	0.271	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-105.7	-7	-174.4	-49.2	-66.9	0	0	0	112.8	I13 F23 W172 A173 W177	I13-Y175 HydrophobicContact CG2-CD1 3.52Å; I13-Y175 HydrophobicContact CG2-CE1 4.05Å; I13-Y175 HydrophobicContact CG2-CG 4.13Å; F23-Y175 HydrophobicContact CE2-CD2 4.21Å; F23-Y175 HydrophobicContact CE2-CE2 4.09Å; W172-Y175 HydrophobicContact CE3-CD2 4.35Å; W172-Y175 WeakPolarHBondContact O-CA 3.46Å; W172-Y175 PolarHBondContact O-N 2.93Å; A173-Y175 PolarHBondContact O-N 3.13Å; Y175-W177 PolarHBondContact O-N 2.96Å
176	D	83.4	Confident	75	Confident	33 Å²	33	85.7 Å²	85.7	18%	0.176	44%	0.441	C	S	.	.			trans	-71.6	103.7	-179	-164.1	-8.2	0	0	0	111.1	W172 A173 T178	W172-D176 PolarHBondContact O-N 3.38Å; A173-D176 PolarHBondContact O-N 3.22Å; D176-T178 WeakPolarHBondContact OD1-CB 3.46Å; D176-T178 PolarHBondContact OD1-N 3.11Å; D176-T178 PolarHBondContact OD1-OG1 3Å
177	W	79.5	Confident	72.2	Confident	80 Å²	80	84.6 Å²	84.6	30%	0.303	44%	0.442	S	S	.	.			trans	-91.7	-9.1	174.6	59.2	-89.9	0	0	0	112.5	Y175 E179 K180 T181	Y175-W177 PolarHBondContact O-N 2.96Å; W177-E179 VanDerWaalsContact C-N 3.28Å; W177-E179 PolarHBondContact O-N 3.35Å; W177-K180 WeakPolarHBondContact O-CB 3.1Å; W177-K180 PolarHBondContact O-N 3.46Å; W177-K180 VanDerWaalsContact O-N 3.08Å; W177-T181 HydrophobicContact CE3-CG2 3.88Å; W177-T181 HydrophobicContact CZ3-CG2 3.65Å
178	T	80.1	Confident	69.4	Low	8 Å²	8	86.5 Å²	86.5	5%	0.049	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-71.8	-21.3	-176	69.9	0	0	0	0	112.9	A59 V60 D176 K180 T181	A59-T178 HydrophobicContact CB-CG2 4.2Å; V60-T178 WeakPolarHBondContact O-CB 3.48Å; D176-T178 WeakPolarHBondContact OD1-CB 3.46Å; D176-T178 PolarHBondContact OD1-N 3.11Å; D176-T178 PolarHBondContact OD1-OG1 3Å; T178-K180 PolarHBondContact O-N 2.99Å; T178-T181 WeakPolarHBondContact CA-OG1 3.49Å; T178-T181 PolarHBondContact O-N 3.08Å; T178-T181 PolarHBondContact O-OG1 3.31Å
179	E	71.7	Confident	66.7	Low	109 Å²	109	94.2 Å²	94.2	51%	0.509	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-65	-28	170.9	-67.5	-57.3	145.4	0	0	111.9	W177 T181 K182	W177-E179 VanDerWaalsContact C-N 3.28Å; W177-E179 PolarHBondContact O-N 3.35Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-K182 IonicContact OE1-NZ 2.64Å; E179-K182 PolarHBondContact OE1-NZ 3.12Å; E179-K182 IonicContact OE2-NZ 3.39Å; E179-K182 PolarHBondContact OE2-NZ 2.87Å
180	K	66.1	Low	64.2	Low	159 Å²	159	99 Å²	99	69%	0.691	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-76.6	-20	176.9	-58.5	177.5	-178	173.3	0	112.7	W177 T178 S183	W177-K180 WeakPolarHBondContact O-CB 3.1Å; W177-K180 PolarHBondContact O-N 3.46Å; W177-K180 VanDerWaalsContact O-N 3.08Å; T178-K180 PolarHBondContact O-N 2.99Å; K180-S183 PolarHBondContact O-OG 3.34Å
181	T	60.8	Low	62.9	Low	22 Å²	22	99.9 Å²	99.9	14%	0.135	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-30.3	179.2	51.3	0	0	0	0	112.3	F62 W177 T178 E179 S183 R184	F62-T181 HydrophobicContact CD2-CG2 4.2Å; F62-T181 VanDerWaalsContact CE2-CB 3.5Å; F62-T181 HydrophobicContact CE2-CG2 3.34Å; F62-T181 VanDerWaalsContact CZ-CB 3.41Å; F62-T181 HydrophobicContact CZ-CG2 3.76Å; W177-T181 HydrophobicContact CE3-CG2 3.88Å; W177-T181 HydrophobicContact CZ3-CG2 3.65Å; T178-T181 WeakPolarHBondContact CA-OG1 3.49Å; T178-T181 PolarHBondContact O-N 3.08Å; T178-T181 PolarHBondContact O-OG1 3.31Å; E179-T181 VanDerWaalsContact C-N 3.32Å; T181-S183 PolarHBondContact O-N 3.33Å; T181-S183 VanDerWaalsContact O-N 3.16Å; T181-R184 PolarHBondContact O-N 3.28Å
182	K	58.4	Low	61.6	Low	140 Å²	140	101 Å²	101	61%	0.609	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.3	174.5	-65.7	-179.1	-167.9	158.7	0	113.4	E179 R184	E179-K182 IonicContact OE1-NZ 2.64Å; E179-K182 PolarHBondContact OE1-NZ 3.12Å; E179-K182 IonicContact OE2-NZ 3.39Å; E179-K182 PolarHBondContact OE2-NZ 2.87Å; K182-R184 VanDerWaalsContact C-N 3.35Å
183	S	49	Very low	60.1	Low	97 Å²	97	106.1 Å²	106.1	68%	0.678	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-5.8	177.4	56.7	0	0	0	0	114.6	K180 T181 P185	K180-S183 PolarHBondContact O-OG 3.34Å; T181-S183 PolarHBondContact O-N 3.33Å; T181-S183 VanDerWaalsContact O-N 3.16Å; S183-P185 VanDerWaalsContact O-CD 3.3Å; S183-P185 WeakPolarHBondContact O-CD 3.18Å
184	R	44	Very low	58.5	Low	182 Å²	182	108.7 Å²	108.7	69%	0.687	57%	0.572	S	S	*	*	S	Bend	trans	-85.3	108.7	178.8	-169.9	171.4	165.2	178	-7	108.8	T181 K182	T181-R184 PolarHBondContact O-N 3.28Å; K182-R184 VanDerWaalsContact C-N 3.35Å
185	P	41.8	Very low	56.8	Low	96 Å²	96	109 Å²	109	62%	0.623	57%	0.565	S	S	*	*			trans	-67.9	139.1	-176.2	-7.4	23	0	0	0	109.8	S183 N187	S183-P185 VanDerWaalsContact O-CD 3.3Å; S183-P185 WeakPolarHBondContact O-CD 3.18Å; P185-N187 PolarHBondContact O-N 2.54Å
186	S	46.6	Very low	55.2	Low	114 Å²	114	111.7 Å²	111.7	80%	0.797	59%	0.585	S	S	*	*	S	Bend	trans	-66.4	27	175.8	52.6	0	0	0	0	114.5
187	N	35.9	Very low	53.2	Low	125 Å²	125	117.3 Å²	117.3	67%	0.668	61%	0.614	S	S	*	*			trans	-108.5	33.6	-168.1	-62.2	-3.1	0	0	0	113.3	P185	P185-N187 PolarHBondContact O-N 2.54Å
188	L	35.8	Very low	51.1	Low	147 Å²	147	120.2 Å²	120.2	77%	0.77	64%	0.638	S	S	*	*			trans	-122.9	61.6	166.1	-71.7	169.6	0	0	0	109.3
189	L	34.4	Very low	48.7	Very low	169 Å²	169	129.5 Å²	129.5	89%	0.885	69%	0.687	S	S	*	*			trans	-131.8	74.3	156.8	-70.8	176.1	0	0	0	106.7
190	T	40.1	Very low	46.6	Very low	194 Å²	194	131.4 Å²	131.4	100%	1.19	70%	0.703	S	S	*	*			trans	-136.8	0	160.9	54.5	0	0	0	0	106.3

Retrieved 190 of 190 residues in 89.5 ms (Link to these results)

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