A0A2K6FPC5_PROCO Loading...

FAM3 metabolism regulating signaling molecule C

AlphaFold DB , UniProt , Accession A0A2K6FPC5, Species PROCO (Propithecus coquereli, Coquerel's sifaka), Gene FAM3C, Length 227 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	51.4	Low	67.8	Low	242 Å²	242	119 Å²	119	100%	1.192	67%	0.67	S	S	*	*				0	56.7	0	-68.5	165.1	68.4	0	0	112.7
2	R	56	Low	69.2	Low	233 Å²	233	113.8 Å²	113.8	88%	0.879	65%	0.653	S	S	*	*			trans	-132.1	-16.4	177.8	-72.1	-171.7	177.5	174	-0.1	115.6
3	V	57.6	Low	70.7	Confident	125 Å²	125	111.1 Å²	111.1	76%	0.758	64%	0.64	S	S	*	*	H	α-helix	trans	-79.4	-34.8	-177.3	-175.9	0	0	0	0	112.5	G5 A6 A7	V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.11Å; V3-A6 PolarHBondContact O-N 3.39Å; V3-A7 PolarHBondContact O-N 3.43Å
4	A	59	Low	71.9	Confident	71 Å²	71	106.8 Å²	106.8	59%	0.587	62%	0.624	S	S	*	*	H	α-helix	trans	-68.3	-27.1	-179.1	0	0	0	0	0	113.8	K8	A4-K8 WeakPolarHBondContact O-CG 3.39Å; A4-K8 PolarHBondContact O-N 3.33Å
5	G	60.3	Low	73	Confident	50 Å²	50	105.2 Å²	105.2	52%	0.515	62%	0.616	S	S	.	*	H	α-helix	trans	-75.2	-42	176.6	0	0	0	0	0	112.6	V3 K8 L9	V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.11Å; G5-K8 PolarHBondContact O-N 2.58Å; G5-L9 PolarHBondContact O-N 2.81Å; G5-L9 VanDerWaalsContact O-N 3.12Å
6	A	68.3	Low	74	Confident	58 Å²	58	107.3 Å²	107.3	48%	0.479	62%	0.615	S	S	.	*	H	α-helix	trans	-65.3	-41.5	177.5	0	0	0	0	0	112	V3 K8 L9 V10	V3-A6 PolarHBondContact O-N 3.39Å; A6-K8 PolarHBondContact O-N 2.81Å; A6-L9 PolarHBondContact O-N 3.48Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.82Å
7	A	73.8	Confident	74.9	Confident	55 Å²	55	107.4 Å²	107.4	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-62.5	-41.2	176.7	0	0	0	0	0	112.6	V3 L9 V10 V11	V3-A7 PolarHBondContact O-N 3.43Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3Å; A7-V10 PolarHBondContact O-N 3.18Å; A7-V11 WeakPolarHBondContact O-CG2 3.42Å; A7-V11 PolarHBondContact O-N 3.34Å; A7-V11 VanDerWaalsContact O-N 3.08Å
8	K	72.9	Confident	75.7	Confident	161 Å²	161	107.9 Å²	107.9	70%	0.7	61%	0.613	S	S	*	*	H	α-helix	trans	-65.4	-36.4	176.3	-74.4	-179.1	179.6	-172	0	112.6	A4 G5 A6 A12	A4-K8 WeakPolarHBondContact O-CG 3.39Å; A4-K8 PolarHBondContact O-N 3.33Å; G5-K8 PolarHBondContact O-N 2.58Å; A6-K8 PolarHBondContact O-N 2.81Å; K8-A12 WeakPolarHBondContact O-CB 3.47Å; K8-A12 PolarHBondContact O-N 3.35Å
9	L	78.3	Confident	76.3	Confident	119 Å²	119	105.7 Å²	105.7	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-43.8	176.6	-170	70.2	0	0	0	111.5	G5 A6 A7 V11 A12 V13	G5-L9 PolarHBondContact O-N 2.81Å; G5-L9 VanDerWaalsContact O-N 3.12Å; A6-L9 PolarHBondContact O-N 3.48Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3Å; L9-V11 VanDerWaalsContact C-N 3.35Å; L9-V11 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 2.7Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 2.85Å
10	V	83.5	Confident	76.7	Confident	102 Å²	102	106.6 Å²	106.6	62%	0.618	60%	0.599	S	S	*	*	H	α-helix	trans	-62.5	-43	177.5	173.2	0	0	0	0	111.2	A6 A7 V13 A14	A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.82Å; A7-V10 PolarHBondContact O-N 3.18Å; V10-V13 PolarHBondContact O-N 3.42Å; V10-A14 WeakPolarHBondContact O-CB 3.43Å; V10-A14 PolarHBondContact O-N 3.02Å
11	V	84.9	Confident	77.3	Confident	93 Å²	93	108.5 Å²	108.5	56%	0.564	60%	0.597	S	S	*	*	H	α-helix	trans	-63.6	-42.3	176.1	173.5	0	0	0	0	111.2	A7 L9 V13 A14 V15	A7-V11 WeakPolarHBondContact O-CG2 3.42Å; A7-V11 PolarHBondContact O-N 3.34Å; A7-V11 VanDerWaalsContact O-N 3.08Å; L9-V11 VanDerWaalsContact C-N 3.35Å; L9-V11 PolarHBondContact O-N 3.27Å; V11-V13 PolarHBondContact O-N 2.76Å; V11-A14 PolarHBondContact O-N 2.93Å; V11-V15 HydrophobicContact CG1-CG2 4.42Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 3.49Å
12	A	84.8	Confident	78.9	Confident	57 Å²	57	100.6 Å²	100.6	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-63.3	-41.5	178.2	0	0	0	0	0	112.5	K8 L9 V15 F16	K8-A12 WeakPolarHBondContact O-CB 3.47Å; K8-A12 PolarHBondContact O-N 3.35Å; L9-A12 PolarHBondContact O-N 2.7Å; A12-V15 PolarHBondContact O-N 3.36Å; A12-F16 WeakPolarHBondContact O-CB 3.32Å; A12-F16 PolarHBondContact O-N 3.05Å
13	V	87.6	Confident	80.2	Confident	78 Å²	78	94.5 Å²	94.5	47%	0.473	55%	0.546	S	S	.	.	H	α-helix	trans	-66.2	-42.8	176.5	173.7	0	0	0	0	111	L9 V10 V11 V15 F16 L17	L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 2.85Å; V10-V13 PolarHBondContact O-N 3.42Å; V11-V13 PolarHBondContact O-N 2.76Å; V13-V15 VanDerWaalsContact C-N 3.35Å; V13-V15 PolarHBondContact O-N 3.16Å; V13-F16 PolarHBondContact O-N 2.92Å; V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CG 3.35Å; V13-L17 PolarHBondContact O-N 3.36Å
14	A	88	Confident	81.2	Confident	51 Å²	51	90.8 Å²	90.8	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-42.9	177.5	0	0	0	0	0	111.9	V10 V11 L17 L18	V10-A14 WeakPolarHBondContact O-CB 3.43Å; V10-A14 PolarHBondContact O-N 3.02Å; V11-A14 PolarHBondContact O-N 2.93Å; A14-L17 PolarHBondContact O-N 2.98Å; A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.26Å
15	V	89.3	Confident	82.1	Confident	83 Å²	83	91.1 Å²	91.1	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-42	176	171.8	0	0	0	0	111	V11 A12 V13 L17 L18 T19	V11-V15 HydrophobicContact CG1-CG2 4.42Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 3.49Å; A12-V15 PolarHBondContact O-N 3.36Å; V13-V15 VanDerWaalsContact C-N 3.35Å; V13-V15 PolarHBondContact O-N 3.16Å; V15-L17 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.27Å; V15-T19 HydrophobicContact CG1-CG2 4.37Å; V15-T19 WeakPolarHBondContact O-CG2 3.34Å; V15-T19 PolarHBondContact O-N 3.46Å; V15-T19 PolarHBondContact O-OG1 3.4Å
16	F	88.9	Confident	82.9	Confident	139 Å²	139	92.8 Å²	92.8	61%	0.61	52%	0.515	S	S	*	.	H	α-helix	trans	-64	-40.3	178.3	-175.2	-96.2	0	0	0	112.8	A12 V13 T19 F20	A12-F16 WeakPolarHBondContact O-CB 3.32Å; A12-F16 PolarHBondContact O-N 3.05Å; V13-F16 PolarHBondContact O-N 2.92Å; F16-T19 WeakPolarHBondContact CA-OG1 3.38Å; F16-T19 PolarHBondContact O-OG1 3.19Å; F16-F20 WeakPolarHBondContact O-CB 3.21Å; F16-F20 PolarHBondContact O-N 3.43Å
17	L	89.5	Confident	83	Confident	109 Å²	109	96.4 Å²	96.4	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-67.8	-38.1	176.4	-68.5	174.2	0	0	0	111.8	V13 A14 V15 F20 Y21	V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CG 3.35Å; V13-L17 PolarHBondContact O-N 3.36Å; A14-L17 PolarHBondContact O-N 2.98Å; V15-L17 PolarHBondContact O-N 3.48Å; L17-F20 PolarHBondContact O-N 3.41Å; L17-Y21 WeakPolarHBondContact O-CB 3.38Å; L17-Y21 PolarHBondContact O-N 2.99Å
18	L	89.2	Confident	82.6	Confident	116 Å²	116	99.9 Å²	99.9	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-66.2	-43.3	176.5	-118.3	148.6	0	0	0	111.8	A14 V15 Y21 V22	A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.26Å; V15-L18 PolarHBondContact O-N 3.27Å; L18-Y21 PolarHBondContact O-N 2.94Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.17Å; L18-V22 PolarHBondContact O-N 3.26Å
19	T	86.1	Confident	82.2	Confident	66 Å²	66	97.6 Å²	97.6	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-66	-40.9	176.3	55.9	0	0	0	0	111.3	V15 F16 Y21 V22 I23	V15-T19 HydrophobicContact CG1-CG2 4.37Å; V15-T19 WeakPolarHBondContact O-CG2 3.34Å; V15-T19 PolarHBondContact O-N 3.46Å; V15-T19 PolarHBondContact O-OG1 3.4Å; F16-T19 WeakPolarHBondContact CA-OG1 3.38Å; F16-T19 PolarHBondContact O-OG1 3.19Å; T19-Y21 PolarHBondContact O-N 2.98Å; T19-V22 PolarHBondContact O-N 3.48Å; T19-I23 WeakPolarHBondContact O-CB 3.33Å; T19-I23 WeakPolarHBondContact O-CD1 3.44Å; T19-I23 WeakPolarHBondContact O-CG1 3.47Å; T19-I23 PolarHBondContact O-N 2.96Å
20	F	85.6	Confident	81.3	Confident	124 Å²	124	99.5 Å²	99.5	54%	0.544	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-41.1	176.3	-171.8	-97.8	0	0	0	112.4	F16 L17 I23 S24	F16-F20 WeakPolarHBondContact O-CB 3.21Å; F16-F20 PolarHBondContact O-N 3.43Å; L17-F20 PolarHBondContact O-N 3.41Å; F20-I23 PolarHBondContact O-N 3.5Å; F20-S24 WeakPolarHBondContact O-CB 3.35Å; F20-S24 PolarHBondContact O-N 3.4Å; F20-S24 PolarHBondContact O-OG 3.4Å
21	Y	88.1	Confident	80.2	Confident	146 Å²	146	99.4 Å²	99.4	57%	0.573	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-46.6	175.8	-177.7	-98.8	0	0	0	111.9	L17 L18 T19 I23 S24 Q25	L17-Y21 WeakPolarHBondContact O-CB 3.38Å; L17-Y21 PolarHBondContact O-N 2.99Å; L18-Y21 PolarHBondContact O-N 2.94Å; T19-Y21 PolarHBondContact O-N 2.98Å; Y21-I23 PolarHBondContact O-N 3.04Å; Y21-S24 PolarHBondContact O-N 2.79Å; Y21-Q25 HydrophobicContact CD1-CG 4.31Å; Y21-Q25 HydrophobicContact CE1-CG 3.93Å; Y21-Q25 WeakPolarHBondContact O-CG 3.42Å; Y21-Q25 PolarHBondContact O-N 3.46Å; Y21-Q25 PolarHBondContact OH-NE2 3.34Å
22	V	85.1	Confident	79	Confident	76 Å²	76	100.9 Å²	100.9	46%	0.461	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-42.1	177.9	173.9	0	0	0	0	111.3	L18 T19 S24 Q25 V26	L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.17Å; L18-V22 PolarHBondContact O-N 3.26Å; T19-V22 PolarHBondContact O-N 3.48Å; V22-S24 VanDerWaalsContact C-N 3.32Å; V22-S24 PolarHBondContact O-N 3.44Å; V22-Q25 PolarHBondContact O-N 3.04Å; V22-V26 HydrophobicContact CG1-CG2 4.42Å; V22-V26 VanDerWaalsContact O-CG2 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.26Å
23	I	83.4	Confident	77.8	Confident	105 Å²	105	101 Å²	101	54%	0.538	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.6	-69.9	165	0	0	0	110.6	T19 F20 Y21 V26 F27	T19-I23 WeakPolarHBondContact O-CB 3.33Å; T19-I23 WeakPolarHBondContact O-CD1 3.44Å; T19-I23 WeakPolarHBondContact O-CG1 3.47Å; T19-I23 PolarHBondContact O-N 2.96Å; F20-I23 PolarHBondContact O-N 3.5Å; Y21-I23 PolarHBondContact O-N 3.04Å; I23-V26 PolarHBondContact O-N 3.46Å; I23-F27 WeakPolarHBondContact O-CB 3.46Å; I23-F27 PolarHBondContact O-N 3.4Å
24	S	78	Confident	76.5	Confident	48 Å²	48	100.4 Å²	100.4	34%	0.336	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-44.9	179.5	-57.1	0	0	0	0	111.8	F20 Y21 V22 V26 F27 E28	F20-S24 WeakPolarHBondContact O-CB 3.35Å; F20-S24 PolarHBondContact O-N 3.4Å; F20-S24 PolarHBondContact O-OG 3.4Å; Y21-S24 PolarHBondContact O-N 2.79Å; V22-S24 VanDerWaalsContact C-N 3.32Å; V22-S24 PolarHBondContact O-N 3.44Å; S24-V26 PolarHBondContact O-N 2.96Å; S24-F27 PolarHBondContact O-N 2.94Å; S24-E28 PolarHBondContact O-N 3.48Å
25	Q	78.9	Confident	75.2	Confident	78 Å²	78	101.9 Å²	101.9	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-42.5	175.9	-70.3	-71.9	-29.3	0	0	112.2	Y21 V22 F27 I29	Y21-Q25 HydrophobicContact CD1-CG 4.31Å; Y21-Q25 HydrophobicContact CE1-CG 3.93Å; Y21-Q25 WeakPolarHBondContact O-CG 3.42Å; Y21-Q25 PolarHBondContact O-N 3.46Å; Y21-Q25 PolarHBondContact OH-NE2 3.34Å; V22-Q25 PolarHBondContact O-N 3.04Å; Q25-F27 VanDerWaalsContact C-N 3.33Å; Q25-F27 PolarHBondContact O-N 3.48Å; Q25-I29 WeakPolarHBondContact O-CD1 3.38Å; Q25-I29 VanDerWaalsContact O-CG1 3.24Å; Q25-I29 WeakPolarHBondContact O-CG1 3.38Å; Q25-I29 PolarHBondContact O-N 3.12Å; Q25-I29 VanDerWaalsContact O-N 3.12Å
26	V	76.1	Confident	73.7	Confident	84 Å²	84	99.9 Å²	99.9	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-67.3	-35.7	177.6	171.9	0	0	0	0	111.5	V22 I23 S24 K30	V22-V26 HydrophobicContact CG1-CG2 4.42Å; V22-V26 VanDerWaalsContact O-CG2 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.26Å; I23-V26 PolarHBondContact O-N 3.46Å; S24-V26 PolarHBondContact O-N 2.96Å; V26-K30 WeakPolarHBondContact O-CB 3.42Å; V26-K30 PolarHBondContact O-N 3.32Å
27	F	71.4	Confident	72.3	Confident	134 Å²	134	98.6 Å²	98.6	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-69.5	-40.9	179	-147.2	-88.8	0	0	0	111.9	I23 S24 Q25 K30 M31	I23-F27 WeakPolarHBondContact O-CB 3.46Å; I23-F27 PolarHBondContact O-N 3.4Å; S24-F27 PolarHBondContact O-N 2.94Å; Q25-F27 VanDerWaalsContact C-N 3.33Å; Q25-F27 PolarHBondContact O-N 3.48Å; F27-K30 PolarHBondContact O-N 3.26Å; F27-M31 HydrophobicContact CD1-CG 4.31Å; F27-M31 HydrophobicContact CD1-SD 4.28Å; F27-M31 HydrophobicContact CE1-CG 4.36Å; F27-M31 HydrophobicContact CE1-SD 4.19Å; F27-M31 WeakPolarHBondContact O-CB 3.24Å; F27-M31 PolarHBondContact O-N 3.04Å
28	E	65.3	Low	70.8	Confident	129 Å²	129	98.6 Å²	98.6	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-62.1	-47	173.3	-75.3	-167	166.3	0	0	111.8	S24 K30 M31 D32	S24-E28 PolarHBondContact O-N 3.48Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.27Å; E28-M31 PolarHBondContact O-N 3.45Å; E28-M31 VanDerWaalsContact O-N 3.14Å; E28-D32 PolarHBondContact O-N 3.49Å
29	I	63.4	Low	69.4	Low	113 Å²	113	99.7 Å²	99.7	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-60.2	-40.5	177.7	-66.4	164.9	0	0	0	111.4	Q25 M31 A33	Q25-I29 WeakPolarHBondContact O-CD1 3.38Å; Q25-I29 VanDerWaalsContact O-CG1 3.24Å; Q25-I29 WeakPolarHBondContact O-CG1 3.38Å; Q25-I29 PolarHBondContact O-N 3.12Å; Q25-I29 VanDerWaalsContact O-N 3.12Å; I29-M31 VanDerWaalsContact C-N 3.35Å; I29-A33 WeakPolarHBondContact O-CB 3.22Å; I29-A33 PolarHBondContact O-N 3.07Å; I29-A33 VanDerWaalsContact O-N 3.1Å
30	K	60.6	Low	68	Low	158 Å²	158	99 Å²	99	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-71.9	-31.5	-180	-155	178.1	-174.2	-177.7	0	111.8	V26 F27 E28 S34	V26-K30 WeakPolarHBondContact O-CB 3.42Å; V26-K30 PolarHBondContact O-N 3.32Å; F27-K30 PolarHBondContact O-N 3.26Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.27Å; K30-S34 WeakPolarHBondContact O-CB 3.48Å; K30-S34 PolarHBondContact O-N 3.14Å
31	M	59.3	Low	66.5	Low	100 Å²	100	102.2 Å²	102.2	49%	0.493	53%	0.53	S	S	.	.	H	α-helix	trans	-69.9	-45.8	174.2	-89.6	-163.6	42.9	0	0	112.2	F27 E28 I29 A33 S34 L35	F27-M31 HydrophobicContact CD1-CG 4.31Å; F27-M31 HydrophobicContact CD1-SD 4.28Å; F27-M31 HydrophobicContact CE1-CG 4.36Å; F27-M31 HydrophobicContact CE1-SD 4.19Å; F27-M31 WeakPolarHBondContact O-CB 3.24Å; F27-M31 PolarHBondContact O-N 3.04Å; E28-M31 PolarHBondContact O-N 3.45Å; E28-M31 VanDerWaalsContact O-N 3.14Å; I29-M31 VanDerWaalsContact C-N 3.35Å; M31-A33 VanDerWaalsContact C-N 3.35Å; M31-A33 PolarHBondContact O-N 2.96Å; M31-S34 PolarHBondContact O-N 3.39Å; M31-L35 WeakPolarHBondContact O-CB 3.19Å; M31-L35 PolarHBondContact O-N 2.95Å
32	D	60.3	Low	64.8	Low	124 Å²	124	99 Å²	99	66%	0.663	53%	0.529	S	S	*	.	H	α-helix	trans	-62.9	-41.1	176.9	-84.1	-12.4	0	0	0	112	E28 S34 G36	E28-D32 PolarHBondContact O-N 3.49Å; D32-S34 VanDerWaalsContact C-N 3.34Å; D32-S34 PolarHBondContact O-N 2.87Å; D32-G36 PolarHBondContact O-N 2.82Å
33	A	60.3	Low	63.2	Low	59 Å²	59	98.8 Å²	98.8	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-35.7	175.3	0	0	0	0	0	112.7	I29 M31 N37	I29-A33 WeakPolarHBondContact O-CB 3.22Å; I29-A33 PolarHBondContact O-N 3.07Å; I29-A33 VanDerWaalsContact O-N 3.1Å; M31-A33 VanDerWaalsContact C-N 3.35Å; M31-A33 PolarHBondContact O-N 2.96Å; A33-N37 WeakPolarHBondContact O-CB 3.45Å; A33-N37 PolarHBondContact O-N 3.36Å; A33-N37 VanDerWaalsContact O-N 3.1Å
34	S	60.2	Low	61.6	Low	67 Å²	67	100.1 Å²	100.1	47%	0.469	54%	0.543	S	S	.	.	H	α-helix	trans	-73.8	-42.1	177.7	-171.2	0	0	0	0	112.1	K30 M31 D32 N37 L38	K30-S34 WeakPolarHBondContact O-CB 3.48Å; K30-S34 PolarHBondContact O-N 3.14Å; M31-S34 PolarHBondContact O-N 3.39Å; D32-S34 VanDerWaalsContact C-N 3.34Å; D32-S34 PolarHBondContact O-N 2.87Å; S34-N37 PolarHBondContact O-N 2.9Å; S34-L38 WeakPolarHBondContact O-CG 3.35Å; S34-L38 PolarHBondContact O-N 3.31Å
35	L	59.3	Low	60.3	Low	82 Å²	82	104.2 Å²	104.2	43%	0.429	56%	0.56	S	S	.	*	H	α-helix	trans	-63	-47.3	173.6	-117.7	91.8	0	0	0	110.5	M31 N37 L38 F39	M31-L35 WeakPolarHBondContact O-CB 3.19Å; M31-L35 PolarHBondContact O-N 2.95Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-N37 PolarHBondContact O-N 3.48Å; L35-L38 PolarHBondContact O-N 3.2Å; L35-F39 HydrophobicContact CB-CD2 4.49Å; L35-F39 HydrophobicContact CD2-CD2 4.31Å; L35-F39 HydrophobicContact CD2-CE2 3.69Å; L35-F39 HydrophobicContact CG-CD2 4.37Å; L35-F39 HydrophobicContact CG-CE2 4.01Å; L35-F39 WeakPolarHBondContact O-CD2 3.47Å; L35-F39 PolarHBondContact O-N 3.47Å
36	G	59.6	Low	58.9	Low	41 Å²	41	106.6 Å²	106.6	42%	0.423	58%	0.581	S	S	.	*	H	α-helix	trans	-57.5	-41.6	176.9	0	0	0	0	0	112.8	D32 A40	D32-G36 PolarHBondContact O-N 2.82Å; G36-A40 VanDerWaalsContact O-CB 3.26Å; G36-A40 WeakPolarHBondContact O-CB 3.43Å; G36-A40 PolarHBondContact O-N 3.46Å
37	N	59.5	Low	57.7	Low	112 Å²	112	106.5 Å²	106.5	60%	0.599	59%	0.589	S	S	*	*	H	α-helix	trans	-69.8	-29.4	174.9	-90.7	-15.4	0	0	0	113.9	A33 S34 L35 R41	A33-N37 WeakPolarHBondContact O-CB 3.45Å; A33-N37 PolarHBondContact O-N 3.36Å; A33-N37 VanDerWaalsContact O-N 3.1Å; S34-N37 PolarHBondContact O-N 2.9Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-N37 PolarHBondContact O-N 3.48Å; N37-R41 VanDerWaalsContact O-CG 3.28Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å; N37-R41 PolarHBondContact O-N 2.99Å
38	L	57.5	Low	56.8	Low	108 Å²	108	103.5 Å²	103.5	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-74.2	-42.3	174.5	-80.2	163.6	0	0	0	111.8	S34 L35 R41 S42	S34-L38 WeakPolarHBondContact O-CG 3.35Å; S34-L38 PolarHBondContact O-N 3.31Å; L35-L38 PolarHBondContact O-N 3.2Å; L38-R41 PolarHBondContact O-N 2.63Å; L38-S42 PolarHBondContact O-N 3.24Å
39	F	59	Low	56.4	Low	139 Å²	139	108.5 Å²	108.5	61%	0.61	60%	0.602	S	S	*	*	H	α-helix	trans	-69.9	-36.8	176.5	-79.2	-72.5	0	0	0	112.6	L35 R41 S42 A43	L35-F39 HydrophobicContact CB-CD2 4.49Å; L35-F39 HydrophobicContact CD2-CD2 4.31Å; L35-F39 HydrophobicContact CD2-CE2 3.69Å; L35-F39 HydrophobicContact CG-CD2 4.37Å; L35-F39 HydrophobicContact CG-CE2 4.01Å; L35-F39 WeakPolarHBondContact O-CD2 3.47Å; L35-F39 PolarHBondContact O-N 3.47Å; F39-R41 VanDerWaalsContact C-N 3.32Å; F39-R41 PolarHBondContact O-N 3.45Å; F39-S42 PolarHBondContact O-N 3Å; F39-A43 WeakPolarHBondContact O-CB 3.34Å; F39-A43 PolarHBondContact O-N 3.31Å
40	A	57.4	Low	55.9	Low	52 Å²	52	107.5 Å²	107.5	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-64.8	-34.4	173.7	0	0	0	0	0	112.5	G36 L44	G36-A40 VanDerWaalsContact O-CB 3.26Å; G36-A40 WeakPolarHBondContact O-CB 3.43Å; G36-A40 PolarHBondContact O-N 3.46Å; A40-L44 PolarHBondContact O-N 2.9Å
41	R	54	Low	56	Low	192 Å²	192	106.8 Å²	106.8	73%	0.725	61%	0.614	S	S	*	*	H	α-helix	trans	-70	-40	173.2	-76.8	177	176.1	-165.5	-1.1	112.5	N37 L38 F39 L44 D45	N37-R41 VanDerWaalsContact O-CG 3.28Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å; N37-R41 PolarHBondContact O-N 2.99Å; L38-R41 PolarHBondContact O-N 2.63Å; F39-R41 VanDerWaalsContact C-N 3.32Å; F39-R41 PolarHBondContact O-N 3.45Å; R41-L44 PolarHBondContact O-N 2.83Å; R41-D45 PolarHBondContact O-N 3.46Å
42	S	51.2	Low	56.3	Low	79 Å²	79	109.8 Å²	109.8	55%	0.552	63%	0.625	S	S	*	*	H	α-helix	trans	-69.7	-31.6	177.9	-167.7	0	0	0	0	113.3	L38 F39	L38-S42 PolarHBondContact O-N 3.24Å; F39-S42 PolarHBondContact O-N 3Å
43	A	53.1	Low	56.8	Low	71 Å²	71	109.3 Å²	109.3	59%	0.587	63%	0.628	S	S	*	*	H	α-helix	trans	-74.6	-30.6	177.3	0	0	0	0	0	112.7	F39 T46	F39-A43 WeakPolarHBondContact O-CB 3.34Å; F39-A43 PolarHBondContact O-N 3.31Å; A43-T46 PolarHBondContact O-N 3.17Å
44	L	50.1	Low	57.7	Low	133 Å²	133	110.8 Å²	110.8	70%	0.696	63%	0.633	S	S	*	*	H	α-helix	trans	-72.8	-26.5	177.1	-104.3	149.4	0	0	0	113.5	A40 R41 T46 A47	A40-L44 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 2.83Å; L44-T46 VanDerWaalsContact C-N 3.26Å; L44-T46 PolarHBondContact O-N 3.28Å; L44-A47 PolarHBondContact O-N 3.25Å
45	D	49.7	Very low	59.1	Low	133 Å²	133	117.7 Å²	117.7	71%	0.711	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-73.3	-14.1	176	-97.5	-20.2	0	0	0	113.8	R41 A47	R41-D45 PolarHBondContact O-N 3.46Å; D45-A47 VanDerWaalsContact C-N 3.3Å
46	T	49.4	Very low	60.8	Low	129 Å²	129	117.7 Å²	117.7	79%	0.791	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-83.2	-10.1	177	-43.8	0	0	0	0	112.4	A43 L44	A43-T46 PolarHBondContact O-N 3.17Å; L44-T46 VanDerWaalsContact C-N 3.26Å; L44-T46 PolarHBondContact O-N 3.28Å
47	A	51.3	Low	62.6	Low	82 Å²	82	120.7 Å²	120.7	68%	0.678	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-110.2	14.7	177	0	0	0	0	0	113.4	L44 D45 R49	L44-A47 PolarHBondContact O-N 3.25Å; D45-A47 VanDerWaalsContact C-N 3.3Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.5Å
48	A	53.2	Low	64.4	Low	71 Å²	71	116.1 Å²	116.1	59%	0.587	62%	0.622	S	S	*	*			trans	-69.9	88.8	168.8	0	0	0	0	0	108.9	S50	A48-S50 PolarHBondContact O-N 3.33Å
49	R	55.5	Low	66.2	Low	233 Å²	233	112.6 Å²	112.6	88%	0.879	61%	0.611	S	S	*	*			trans	-44.2	116.7	161.4	-112	177.9	178.4	171.2	-0.3	107.1	A47 T51	A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.5Å; R49-T51 PolarHBondContact O-N 3.32Å
50	S	52.9	Low	68	Low	92 Å²	92	106.5 Å²	106.5	64%	0.643	59%	0.585	S	S	*	*			trans	-45.1	111.6	175.5	166.8	0	0	0	0	109.3	A48 K52	A48-S50 PolarHBondContact O-N 3.33Å; S50-K52 PolarHBondContact O-N 3.48Å; S50-K52 PolarHBondContact OG-N 3.21Å; S50-K52 PolarHBondContact OG-O 3.12Å
51	T	62.8	Low	69.8	Low	143 Å²	143	108.5 Å²	108.5	88%	0.877	60%	0.595	S	S	*	*			trans	-72.7	-6.1	175.8	50.3	0	0	0	0	112.1	R49	R49-T51 PolarHBondContact O-N 3.32Å
52	K	66.5	Low	71.7	Confident	164 Å²	164	106.3 Å²	106.3	71%	0.713	59%	0.591	S	S	*	*	S	Bend	trans	-74.6	128.5	171.9	-66	-177.8	-178.7	176.7	0	109	S50	S50-K52 PolarHBondContact O-N 3.48Å; S50-K52 PolarHBondContact OG-N 3.21Å; S50-K52 PolarHBondContact OG-O 3.12Å
53	P	70.6	Confident	73.8	Confident	114 Å²	114	105.4 Å²	105.4	74%	0.74	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-53.9	143.3	172.6	21.8	-30.8	0	0	0	109.6	R55	P53-R55 PolarHBondContact O-N 3.41Å
54	P	78.3	Confident	76	Confident	90 Å²	90	103.6 Å²	103.6	58%	0.584	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-56.9	126.7	179.9	23	-32.3	0	0	0	109.4	Y56	P54-Y56 HydrophobicContact CB-CE1 4.28Å; P54-Y56 HydrophobicContact CG-CE1 4.44Å; P54-Y56 HydrophobicContact CG-CE2 4.22Å; P54-Y56 WeakPolarHBondContact CG-OH 3.47Å
55	R	89.6	Confident	78.2	Confident	212 Å²	212	101.1 Å²	101.1	80%	0.8	56%	0.563	S	S	*	*			trans	-85.9	114.1	175.8	-176.6	177.1	173.1	176.1	-4.7	108.4	P53	P53-R55 PolarHBondContact O-N 3.41Å
56	Y	95.9	Very high	80.4	Confident	81 Å²	81	103.1 Å²	103.1	32%	0.318	57%	0.568	S	S	.	*			trans	-85.6	163.6	174.1	-55.2	-67.9	0	0	0	111.2	P54 C58 G59 I60 S61 A63	P54-Y56 HydrophobicContact CB-CE1 4.28Å; P54-Y56 HydrophobicContact CG-CE1 4.44Å; P54-Y56 HydrophobicContact CG-CE2 4.22Å; P54-Y56 WeakPolarHBondContact CG-OH 3.47Å; Y56-C58 PolarHBondContact O-N 2.75Å; Y56-G59 WeakPolarHBondContact O-CA 3.45Å; Y56-G59 PolarHBondContact O-N 2.99Å; Y56-I60 WeakPolarHBondContact CD2-O 3.38Å; Y56-S61 WeakPolarHBondContact CE2-O 3.5Å; Y56-A63 HydrophobicContact CD1-CB 3.74Å; Y56-A63 HydrophobicContact CE1-CB 3.72Å
57	K	97.6	Very high	82.7	Confident	105 Å²	105	102.9 Å²	102.9	46%	0.457	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-51.2	136.2	178.2	-67.1	-178.6	177.8	176.1	0	110.9	G59 I60 A70 E88 D89	K57-G59 PolarHBondContact O-N 2.81Å; K57-G59 VanDerWaalsContact O-N 3.07Å; K57-I60 WeakPolarHBondContact O-CG1 3.41Å; K57-I60 PolarHBondContact O-N 3.47Å; K57-A70 HydrophobicContact CB-CB 3.73Å; K57-A70 HydrophobicContact CD-CB 4.44Å; K57-E88 IonicContact NZ-OE1 2.72Å; K57-E88 IonicContact NZ-OE2 3.69Å; K57-E88 PolarHBondContact NZ-OE2 3.02Å; K57-D89 HydrophobicContact CB-CB 4.06Å; K57-D89 HydrophobicContact CG-CB 4.21Å
58	C	96.5	Very high	84.9	Confident	16 Å²	16	101.9 Å²	101.9	11%	0.108	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	60.2	7.6	-173.8	-66.8	0	0	0	0	115.8	Y56 I60 K72 C86 L87 D89	Y56-C58 PolarHBondContact O-N 2.75Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 HydrophobicContact CB-CG2 4.29Å; C58-K72 HydrophobicContact CB-CB 3.86Å; C58-K72 WeakPolarHBondContact O-CD 3.35Å; C58-C86 WeakPolarHBondContact CA-SG 3.33Å; C58-C86 HydrophobicContact CB-CB 3.81Å; C58-C86 WeakPolarHBondContact CB-SG 3.43Å; C58-C86 WeakPolarHBondContact SG-CB 3.3Å; C58-C86 CovalentContact SG-SG 2.05Å; C58-C86 PolarHBondContact SG-SG 3.47Å; C58-L87 PolarHBondContact SG-N 2.96Å; C58-D89 PolarHBondContact N-OD1 3.35Å; C58-D89 PolarHBondContact SG-N 3.48Å
59	G	95.8	Very high	87.1	Confident	33 Å²	33	99.1 Å²	99.1	34%	0.34	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	67.8	32.9	-175.9	0	0	0	0	0	113.2	Y56 K57 K72	Y56-G59 WeakPolarHBondContact O-CA 3.45Å; Y56-G59 PolarHBondContact O-N 2.99Å; K57-G59 PolarHBondContact O-N 2.81Å; K57-G59 VanDerWaalsContact O-N 3.07Å; G59-K72 PolarHBondContact O-NZ 2.64Å
60	I	96.7	Very high	89.1	Confident	12 Å²	12	88.1 Å²	88.1	6%	0.062	47%	0.471	C	S	.	.			trans	-71	159.2	171.7	66.4	178.7	0	0	0	110.9	Y56 K57 C58 K62 A70 F71 K72 E219	Y56-I60 WeakPolarHBondContact CD2-O 3.38Å; K57-I60 WeakPolarHBondContact O-CG1 3.41Å; K57-I60 PolarHBondContact O-N 3.47Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 HydrophobicContact CB-CG2 4.29Å; I60-K62 WeakPolarHBondContact CD1-O 3.28Å; I60-K62 WeakPolarHBondContact CG1-O 3.41Å; I60-K62 PolarHBondContact O-N 2.8Å; I60-A70 HydrophobicContact CD1-CB 3.81Å; I60-F71 WeakPolarHBondContact CG2-O 3.16Å; I60-K72 HydrophobicContact CG2-CB 4.22Å; I60-E219 HydrophobicContact CG2-CB 3.88Å
61	S	94.7	Very high	91.3	Very high	93 Å²	93	83.8 Å²	83.8	65%	0.65	44%	0.44	S	S	*	.	S	Bend	trans	-68.2	-28.6	-175.5	51.2	0	0	0	0	115.2	Y56 E219	Y56-S61 WeakPolarHBondContact CE2-O 3.5Å; S61-E219 VanDerWaalsContact CB-OE1 3.3Å; S61-E219 WeakPolarHBondContact CB-OE1 3.22Å; S61-E219 PolarHBondContact N-OE1 3.49Å; S61-E219 PolarHBondContact OG-OE1 2.8Å
62	K	94.4	Very high	93	Very high	147 Å²	147	79.7 Å²	79.7	64%	0.639	41%	0.41	S	S	*	.	S	Bend	trans	-146	154.5	-177.9	63.2	-177.4	179.8	-178.5	0	111.5	I60	I60-K62 WeakPolarHBondContact CD1-O 3.28Å; I60-K62 WeakPolarHBondContact CG1-O 3.41Å; I60-K62 PolarHBondContact O-N 2.8Å
63	A	96.3	Very high	94.6	Very high	60 Å²	60	72 Å²	72	50%	0.496	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-60.9	144.3	175.1	0	0	0	0	0	112	Y56	Y56-A63 HydrophobicContact CD1-CB 3.74Å; Y56-A63 HydrophobicContact CE1-CB 3.72Å
64	C	97.6	Very high	95.9	Very high	32 Å²	32	67.2 Å²	67.2	22%	0.216	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-75.9	149.6	171	-71.7	0	0	0	0	111.5	H68 C221	C64-H68 HydrophobicContact CB-CB 4.14Å; C64-C221 WeakPolarHBondContact CA-SG 3.37Å; C64-C221 HydrophobicContact CB-CB 3.75Å; C64-C221 WeakPolarHBondContact CB-SG 3.38Å; C64-C221 VanDerWaalsContact SG-CA 3.57Å; C64-C221 WeakPolarHBondContact SG-CB 3.28Å; C64-C221 CovalentContact SG-SG 2.04Å; C64-C221 PolarHBondContact SG-SG 3.12Å
65	P	97.5	Very high	96.9	Very high	81 Å²	81	63.1 Å²	63.1	53%	0.526	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.5	166.4	170.5	-18.6	31.6	0	0	0	111.9	H68	P65-H68 PolarHBondContact O-N 3.01Å
66	E	96.3	Very high	97.3	Very high	175 Å²	175	53 Å²	53	82%	0.818	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	150.6	171.1	-64.8	-174.4	-179	0	0	111.5	H68	E66-H68 PolarHBondContact O-N 2.82Å; E66-H68 PolarHBondContact O-ND1 3.33Å
67	K	96.6	Very high	97.4	Very high	125 Å²	125	49.6 Å²	49.6	54%	0.543	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	36.8	-179.1	-56.3	179.2	175	-167.8	0	113.3	Q224	K67-Q224 HydrophobicContact CB-CB 4.32Å; K67-Q224 WeakPolarHBondContact O-CB 3.34Å; K67-Q224 PolarHBondContact O-N 2.78Å
68	H	98.3	Very high	97.5	Very high	61 Å²	61	45 Å²	45	28%	0.282	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.1	171.5	-68.3	68.2	0	0	0	111	C64 P65 E66 C221 I222	C64-H68 HydrophobicContact CB-CB 4.14Å; P65-H68 PolarHBondContact O-N 3.01Å; E66-H68 PolarHBondContact O-N 2.82Å; E66-H68 PolarHBondContact O-ND1 3.33Å; H68-C221 HydrophobicContact CB-CB 3.97Å; H68-I222 CarbonylContact C-O 3.58Å; H68-I222 WeakPolarHBondContact CA-O 3.5Å
69	F	98.4	Very high	97.5	Very high	13 Å²	13	48.2 Å²	48.2	6%	0.057	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127	171.5	-57.2	-59.8	0	0	0	110.7	L87 E88 G114 I144 C221 I222 Q224	F69-L87 HydrophobicContact CB-CD1 3.93Å; F69-E88 WeakPolarHBondContact CA-OE1 3.39Å; F69-E88 HydrophobicContact CB-CG 3.99Å; F69-E88 HydrophobicContact CD1-CG 3.58Å; F69-E88 HydrophobicContact CG-CG 4.2Å; F69-G114 VanDerWaalsContact CZ-N 3.33Å; F69-I144 HydrophobicContact CD2-CD1 3.78Å; F69-I144 HydrophobicContact CE2-CD1 4.16Å; F69-C221 CarbonylContact O-C 3.56Å; F69-C221 WeakPolarHBondContact O-CA 3.1Å; F69-I222 HydrophobicContact CB-CB 4.4Å; F69-I222 PolarHBondContact N-O 3.02Å; F69-I222 PolarHBondContact O-N 3.05Å; F69-Q224 HydrophobicContact CE2-CB 3.95Å; F69-Q224 HydrophobicContact CE2-CG 3.86Å; F69-Q224 HydrophobicContact CZ-CB 4.18Å; F69-Q224 HydrophobicContact CZ-CG 3.73Å
70	A	98.6	Very high	97.6	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.3	172.4	0	0	0	0	0	110.4	K57 I60 L87 E88	K57-A70 HydrophobicContact CB-CB 3.73Å; K57-A70 HydrophobicContact CD-CB 4.44Å; I60-A70 HydrophobicContact CD1-CB 3.81Å; A70-L87 CarbonylContact O-C 3.51Å; A70-L87 WeakPolarHBondContact O-CA 3.41Å; A70-E88 PolarHBondContact N-OE1 2.92Å; A70-E88 PolarHBondContact O-N 3.38Å
71	F	98.8	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.3	170.2	80.5	-81.4	0	0	0	111.5	I60 M73 C86 L87 L146 C185 F196 M218 E219 G220 I222	I60-F71 WeakPolarHBondContact CG2-O 3.16Å; F71-M73 HydrophobicContact CD2-CG 4.23Å; F71-M73 HydrophobicContact CD2-SD 4.12Å; F71-M73 HydrophobicContact CE2-CG 4.14Å; F71-M73 HydrophobicContact CE2-SD 3.93Å; F71-C86 VanDerWaalsContact CA-O 3.23Å; F71-C86 WeakPolarHBondContact CA-O 3.29Å; F71-C86 WeakPolarHBondContact CB-O 3.22Å; F71-L87 HydrophobicContact CB-CD1 4.01Å; F71-L146 HydrophobicContact CB-CD2 4.14Å; F71-L146 HydrophobicContact CD2-CD2 4.14Å; F71-L146 HydrophobicContact CG-CD2 4.34Å; F71-C185 HydrophobicContact CE2-CB 4.19Å; F71-C185 HydrophobicContact CZ-CB 4.2Å; F71-F196 AromaticContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD2 4.26Å; F71-F196 HydrophobicContact CE1-CE1 4.04Å; F71-F196 HydrophobicContact CE1-CE2 4.45Å; F71-F196 AromaticContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CZ 4.36Å; F71-F196 HydrophobicContact CZ-CB 3.93Å; F71-F196 AromaticContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD2 4.46Å; F71-F196 HydrophobicContact CZ-CE1 4.35Å; F71-F196 AromaticContact CZ-CG 3.77Å; F71-F196 HydrophobicContact CZ-CG 3.77Å; F71-M218 HydrophobicContact CE2-CE 3.91Å; F71-M218 HydrophobicContact CE2-CG 4.02Å; F71-M218 HydrophobicContact CZ-CE 4.22Å; F71-M218 HydrophobicContact CZ-CG 4.11Å; F71-M218 HydrophobicContact CZ-SD 4.45Å; F71-E219 WeakPolarHBondContact O-CA 3.49Å; F71-G220 VanDerWaalsContact CD1-C 3.45Å; F71-G220 VanDerWaalsContact CD1-O 3.26Å; F71-G220 WeakPolarHBondContact CD1-O 3.28Å; F71-G220 VanDerWaalsContact CE1-C 3.42Å; F71-G220 PolarHBondContact N-O 3.48Å; F71-G220 PolarHBondContact O-N 3.3Å; F71-G220 VanDerWaalsContact O-N 3.08Å; F71-I222 HydrophobicContact CB-CD1 4.24Å; F71-I222 HydrophobicContact CD1-CD1 3.79Å; F71-I222 HydrophobicContact CD1-CG1 3.57Å; F71-I222 HydrophobicContact CE1-CD1 4.44Å; F71-I222 HydrophobicContact CE1-CG1 3.9Å; F71-I222 HydrophobicContact CG-CD1 4.16Å; F71-I222 HydrophobicContact CG-CG1 4.43Å
72	K	98.8	Very high	97.9	Very high	58 Å²	58	51.6 Å²	51.6	25%	0.252	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.3	168.2	-174.3	164.7	-174	143.7	0	109	C58 G59 I60 C86 M218 E219	C58-K72 HydrophobicContact CB-CB 3.86Å; C58-K72 WeakPolarHBondContact O-CD 3.35Å; G59-K72 PolarHBondContact O-NZ 2.64Å; I60-K72 HydrophobicContact CG2-CB 4.22Å; K72-C86 PolarHBondContact N-O 3.31Å; K72-C86 WeakPolarHBondContact O-CB 3.39Å; K72-C86 PolarHBondContact O-N 2.92Å; K72-M218 WeakPolarHBondContact CA-O 3.13Å; K72-E219 HydrophobicContact CB-CB 4.21Å; K72-E219 HydrophobicContact CD-CB 4.46Å; K72-E219 WeakPolarHBondContact CE-OE2 3.41Å; K72-E219 HydrophobicContact CG-CB 4.1Å; K72-E219 IonicContact NZ-OE2 3.47Å; K72-E219 PolarHBondContact NZ-OE2 3.38Å
73	M	98.6	Very high	98.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.9	-179.1	63.9	-168.6	-54.5	0	0	112.6	F71 K84 I85 L146 M147 V183 F184 C185 E217 M218	F71-M73 HydrophobicContact CD2-CG 4.23Å; F71-M73 HydrophobicContact CD2-SD 4.12Å; F71-M73 HydrophobicContact CE2-CG 4.14Å; F71-M73 HydrophobicContact CE2-SD 3.93Å; M73-K84 CarbonylContact C-O 3.59Å; M73-K84 WeakPolarHBondContact CA-O 3.44Å; M73-I85 HydrophobicContact CB-CG1 4.4Å; M73-I85 HydrophobicContact CE-CD1 4.5Å; M73-I85 HydrophobicContact CE-CG1 4.47Å; M73-L146 HydrophobicContact CE-CB 4.3Å; M73-L146 HydrophobicContact SD-CD2 4.42Å; M73-M147 WeakPolarHBondContact CE-O 3.26Å; M73-V183 HydrophobicContact CE-CB 3.86Å; M73-V183 HydrophobicContact CE-CG1 4.18Å; M73-V183 HydrophobicContact CG-CB 4.01Å; M73-V183 HydrophobicContact CG-CG1 4.27Å; M73-V183 HydrophobicContact SD-CB 4.12Å; M73-F184 WeakPolarHBondContact CE-O 3.41Å; M73-C185 HydrophobicContact SD-CB 4.48Å; M73-E217 WeakPolarHBondContact O-CA 3.11Å; M73-M218 HydrophobicContact CG-CB 4.22Å; M73-M218 HydrophobicContact CG-CE 4.25Å; M73-M218 PolarHBondContact N-O 2.85Å; M73-M218 PolarHBondContact O-N 3.22Å; M73-M218 HydrophobicContact SD-CE 3.58Å; M73-M218 VanDerWaalsContact SD-CE 3.58Å
74	A	98.9	Very high	98.2	Very high	12 Å²	12	47.1 Å²	47.1	10%	0.099	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.5	177.2	0	0	0	0	0	109	P83 K84 V215 V216 E217	A74-P83 VanDerWaalsContact O-CA 3.26Å; A74-P83 WeakPolarHBondContact O-CA 3.45Å; A74-P83 WeakPolarHBondContact O-CB 3.2Å; A74-K84 PolarHBondContact N-O 3.01Å; A74-K84 PolarHBondContact O-N 3.22Å; A74-V215 HydrophobicContact CB-CG1 3.95Å; A74-V216 WeakPolarHBondContact CA-O 3.26Å; A74-E217 HydrophobicContact CB-CG 3.91Å
75	S	98.9	Very high	98.3	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.028	24%	0.24	C	C	.	.			trans	-66.7	173.1	166.3	56.4	0	0	0	0	111.4	N181 V215 V216	S75-N181 WeakPolarHBondContact CB-OD1 3.33Å; S75-N181 PolarHBondContact OG-ND2 3.26Å; S75-V215 WeakPolarHBondContact O-CG1 3.49Å; S75-V216 PolarHBondContact N-O 2.81Å; S75-V216 WeakPolarHBondContact OG-CG1 3.46Å; S75-V216 PolarHBondContact OG-N 3.12Å; S75-V216 PolarHBondContact OG-O 2.76Å
76	G	98.6	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.			trans	-73.7	155.3	173.2	0	0	0	0	0	113.3	V81 T149 N181	G76-V81 CarbonylContact C-O 3.58Å; G76-V81 WeakPolarHBondContact CA-O 3.36Å; G76-T149 PolarHBondContact N-O 2.86Å; G76-N181 PolarHBondContact O-ND2 3.48Å
77	A	98.5	Very high	98.4	Very high	10 Å²	10	33.8 Å²	33.8	8%	0.083	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-96.1	106.8	168.8	0	0	0	0	0	109.1	N79 V80 V81 Y209 V215	A77-N79 PolarHBondContact O-N 3.4Å; A77-V80 VanDerWaalsContact O-CG2 3.29Å; A77-V80 WeakPolarHBondContact O-CG2 3.29Å; A77-V80 PolarHBondContact O-N 3.4Å; A77-V80 VanDerWaalsContact O-N 3.1Å; A77-V81 HydrophobicContact CB-CB 3.92Å; A77-V81 HydrophobicContact CB-CG2 4.39Å; A77-V81 PolarHBondContact N-O 3.08Å; A77-V81 PolarHBondContact O-N 3Å; A77-Y209 HydrophobicContact CB-CE2 4.04Å; A77-V215 HydrophobicContact CB-CG2 3.57Å
78	A	97.9	Very high	98.5	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	-127.9	-171.6	0	0	0	0	0	110.8	Y150 D151 Y209 W212	A78-Y150 WeakPolarHBondContact O-CD2 2.97Å; A78-Y150 WeakPolarHBondContact O-CE2 3.37Å; A78-D151 WeakPolarHBondContact O-CA 3.5Å; A78-D151 PolarHBondContact O-N 3.29Å; A78-Y209 HydrophobicContact CB-CD2 4.34Å; A78-Y209 HydrophobicContact CB-CG 4.41Å; A78-W212 HydrophobicContact CB-CB 3.97Å; A78-W212 HydrophobicContact CB-CD2 3.7Å; A78-W212 HydrophobicContact CB-CE3 3.98Å; A78-W212 HydrophobicContact CB-CG 3.73Å
79	N	97.5	Very high	98.5	Very high	83 Å²	83	30.8 Å²	30.8	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	11.2	174.3	65.5	-20.8	0	0	0	113.2	A77 Y150 D151 W212	A77-N79 PolarHBondContact O-N 3.4Å; N79-Y150 VanDerWaalsContact C-OH 3.26Å; N79-Y150 PolarHBondContact O-OH 3.04Å; N79-D151 HydrophobicContact CB-CB 3.98Å; N79-W212 HydrophobicContact CB-CZ2 4.38Å
80	V	97.8	Very high	98.5	Very high	108 Å²	108	35 Å²	35	66%	0.655	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-32.1	-171.4	-68	0	0	0	0	114.3	A77	A77-V80 VanDerWaalsContact O-CG2 3.29Å; A77-V80 WeakPolarHBondContact O-CG2 3.29Å; A77-V80 PolarHBondContact O-N 3.4Å; A77-V80 VanDerWaalsContact O-N 3.1Å
81	V	98.4	Very high	98.5	Very high	88 Å²	88	37.3 Å²	37.3	53%	0.533	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-121.8	118	176.6	-178.1	0	0	0	0	108.4	G76 A77 Y150	G76-V81 CarbonylContact C-O 3.58Å; G76-V81 WeakPolarHBondContact CA-O 3.36Å; A77-V81 HydrophobicContact CB-CB 3.92Å; A77-V81 HydrophobicContact CB-CG2 4.39Å; A77-V81 PolarHBondContact N-O 3.08Å; A77-V81 PolarHBondContact O-N 3Å; V81-Y150 VanDerWaalsContact O-CE2 3.28Å; V81-Y150 WeakPolarHBondContact O-CE2 3.33Å
82	G	98.5	Very high	98.5	Very high	13 Å²	13	38.1 Å²	38.1	13%	0.134	21%	0.21	C	C	.	.			trans	-69.4	162	177.3	0	0	0	0	0	113.3
83	P	98.8	Very high	98.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.199	C	C	.	.			trans	-65.2	166.2	-179.5	27	-35.6	0	0	0	111.4	A74 S94 V100 N105	A74-P83 VanDerWaalsContact O-CA 3.26Å; A74-P83 WeakPolarHBondContact O-CA 3.45Å; A74-P83 WeakPolarHBondContact O-CB 3.2Å; P83-S94 WeakPolarHBondContact O-CA 3.21Å; P83-V100 HydrophobicContact CG-CB 4.26Å; P83-V100 HydrophobicContact CG-CG1 4.12Å; P83-N105 HydrophobicContact CG-CB 3.93Å
84	K	98.9	Very high	98.5	Very high	112 Å²	112	35.5 Å²	35.5	49%	0.487	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.3	174.7	-174.5	177.2	178.1	-177.3	0	109.6	M73 A74 V91 M93	M73-K84 CarbonylContact C-O 3.59Å; M73-K84 WeakPolarHBondContact CA-O 3.44Å; A74-K84 PolarHBondContact N-O 3.01Å; A74-K84 PolarHBondContact O-N 3.22Å; K84-V91 HydrophobicContact CG-CG1 4.47Å; K84-M93 CarbonylContact C-O 3.57Å; K84-M93 WeakPolarHBondContact CA-O 3.45Å
85	I	98.9	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.9	175.9	-55.5	-179.6	0	0	0	108.2	M73 L92 M93 A107 L146	M73-I85 HydrophobicContact CB-CG1 4.4Å; M73-I85 HydrophobicContact CE-CD1 4.5Å; M73-I85 HydrophobicContact CE-CG1 4.47Å; I85-L92 PolarHBondContact O-N 3.42Å; I85-M93 HydrophobicContact CB-CB 4.2Å; I85-M93 HydrophobicContact CD1-CB 4.45Å; I85-M93 HydrophobicContact CD1-SD 3.99Å; I85-M93 HydrophobicContact CG1-CB 4.36Å; I85-M93 PolarHBondContact N-O 3.07Å; I85-M93 PolarHBondContact O-N 3.1Å; I85-A107 HydrophobicContact CD1-CB 4.41Å; I85-A107 HydrophobicContact CG2-CB 4.19Å; I85-L146 HydrophobicContact CD1-CB 4.43Å; I85-L146 HydrophobicContact CG2-CB 3.82Å; I85-L146 HydrophobicContact CG2-CD2 3.88Å; I85-L146 HydrophobicContact CG2-CG 4.3Å
86	C	98.8	Very high	98.4	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.2	176.6	-178.7	0	0	0	0	110.4	C58 F71 K72 N90	C58-C86 WeakPolarHBondContact CA-SG 3.33Å; C58-C86 HydrophobicContact CB-CB 3.81Å; C58-C86 WeakPolarHBondContact CB-SG 3.43Å; C58-C86 WeakPolarHBondContact SG-CB 3.3Å; C58-C86 CovalentContact SG-SG 2.05Å; C58-C86 PolarHBondContact SG-SG 3.47Å; F71-C86 VanDerWaalsContact CA-O 3.23Å; F71-C86 WeakPolarHBondContact CA-O 3.29Å; F71-C86 WeakPolarHBondContact CB-O 3.22Å; K72-C86 PolarHBondContact N-O 3.31Å; K72-C86 WeakPolarHBondContact O-CB 3.39Å; K72-C86 PolarHBondContact O-N 2.92Å; C86-N90 WeakPolarHBondContact CA-O 3.31Å
87	L	98.8	Very high	98.3	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.7	174.3	-176.6	69.1	0	0	0	109	C58 F69 A70 F71 D89 N90 L92 A109 I222	C58-L87 PolarHBondContact SG-N 2.96Å; F69-L87 HydrophobicContact CB-CD1 3.93Å; A70-L87 CarbonylContact O-C 3.51Å; A70-L87 WeakPolarHBondContact O-CA 3.41Å; F71-L87 HydrophobicContact CB-CD1 4.01Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.91Å; L87-N90 PolarHBondContact N-O 3.03Å; L87-N90 WeakPolarHBondContact O-CA 3.28Å; L87-N90 WeakPolarHBondContact O-CB 3.26Å; L87-N90 PolarHBondContact O-N 3Å; L87-L92 HydrophobicContact CB-CD1 3.87Å; L87-L92 HydrophobicContact CB-CG 4.26Å; L87-L92 HydrophobicContact CD2-CD1 4.35Å; L87-A109 HydrophobicContact CD2-CB 3.41Å; L87-A109 VanDerWaalsContact CD2-CB 3.41Å; L87-I222 HydrophobicContact CD1-CD1 3.96Å
88	E	97.9	Very high	98.3	Very high	42 Å²	42	54.5 Å²	54.5	20%	0.196	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	43.2	178.6	-72.7	-67.5	97.6	0	0	113.9	K57 F69 A70 N90	K57-E88 IonicContact NZ-OE1 2.72Å; K57-E88 IonicContact NZ-OE2 3.69Å; K57-E88 PolarHBondContact NZ-OE2 3.02Å; F69-E88 WeakPolarHBondContact CA-OE1 3.39Å; F69-E88 HydrophobicContact CB-CG 3.99Å; F69-E88 HydrophobicContact CD1-CG 3.58Å; F69-E88 HydrophobicContact CG-CG 4.2Å; A70-E88 PolarHBondContact N-OE1 2.92Å; A70-E88 PolarHBondContact O-N 3.38Å; E88-N90 PolarHBondContact O-N 3.05Å; E88-N90 PolarHBondContact O-ND2 3.01Å
89	D	97.7	Very high	98.4	Very high	81 Å²	81	55.8 Å²	55.8	43%	0.433	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	3.4	-175.3	-145	39.5	0	0	0	115.4	K57 C58 L87	K57-D89 HydrophobicContact CB-CB 4.06Å; K57-D89 HydrophobicContact CG-CB 4.21Å; C58-D89 PolarHBondContact N-OD1 3.35Å; C58-D89 PolarHBondContact SG-N 3.48Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.91Å
90	N	98.2	Very high	98.4	Very high	102 Å²	102	52.9 Å²	52.9	55%	0.545	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.4	174	-59.8	-61.9	0	0	0	110.1	C86 L87 E88 L92	C86-N90 WeakPolarHBondContact CA-O 3.31Å; L87-N90 PolarHBondContact N-O 3.03Å; L87-N90 WeakPolarHBondContact O-CA 3.28Å; L87-N90 WeakPolarHBondContact O-CB 3.26Å; L87-N90 PolarHBondContact O-N 3Å; E88-N90 PolarHBondContact O-N 3.05Å; E88-N90 PolarHBondContact O-ND2 3.01Å; N90-L92 HydrophobicContact CB-CD2 4.19Å; N90-L92 PolarHBondContact O-N 3.1Å; N90-L92 VanDerWaalsContact O-N 3.13Å
91	V	98.6	Very high	98.5	Very high	49 Å²	49	48.2 Å²	48.2	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	105.9	171.6	-177.2	0	0	0	0	108.6	K84 K97	K84-V91 HydrophobicContact CG-CG1 4.47Å; V91-K97 HydrophobicContact CB-CD 4.34Å; V91-K97 HydrophobicContact CG1-CD 3.95Å; V91-K97 WeakPolarHBondContact O-CD 3.39Å; V91-K97 WeakPolarHBondContact O-CE 3.27Å; V91-K97 PolarHBondContact O-NZ 3.16Å
92	L	98.8	Very high	98.5	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-47.6	-179.2	-54.5	-171.2	0	0	0	110.6	I85 L87 N90 K97 N99 A107 V116 T119	I85-L92 PolarHBondContact O-N 3.42Å; L87-L92 HydrophobicContact CB-CD1 3.87Å; L87-L92 HydrophobicContact CB-CG 4.26Å; L87-L92 HydrophobicContact CD2-CD1 4.35Å; N90-L92 HydrophobicContact CB-CD2 4.19Å; N90-L92 PolarHBondContact O-N 3.1Å; N90-L92 VanDerWaalsContact O-N 3.13Å; L92-K97 WeakPolarHBondContact O-CE 3.3Å; L92-N99 PolarHBondContact O-ND2 3.11Å; L92-A107 HydrophobicContact CB-CB 4.18Å; L92-A107 HydrophobicContact CD1-CB 3.8Å; L92-V116 HydrophobicContact CD1-CG2 4.4Å; L92-V116 HydrophobicContact CD2-CB 3.99Å; L92-V116 HydrophobicContact CD2-CG2 4.16Å; L92-T119 HydrophobicContact CB-CG2 4.28Å
93	M	98.8	Very high	98.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.8	-179.1	-59.2	-174.4	80.5	0	0	110.8	K84 I85 N99 V100 N105 V106 A107 T119 K120	K84-M93 CarbonylContact C-O 3.57Å; K84-M93 WeakPolarHBondContact CA-O 3.45Å; I85-M93 HydrophobicContact CB-CB 4.2Å; I85-M93 HydrophobicContact CD1-CB 4.45Å; I85-M93 HydrophobicContact CD1-SD 3.99Å; I85-M93 HydrophobicContact CG1-CB 4.36Å; I85-M93 PolarHBondContact N-O 3.07Å; I85-M93 PolarHBondContact O-N 3.1Å; M93-N99 WeakPolarHBondContact CA-OD1 3.4Å; M93-N99 WeakPolarHBondContact CE-O 3.36Å; M93-V100 HydrophobicContact CB-CG1 3.86Å; M93-V100 HydrophobicContact CE-CG1 4.33Å; M93-N105 HydrophobicContact CE-CB 3.77Å; M93-N105 HydrophobicContact SD-CB 4.16Å; M93-V106 VanDerWaalsContact SD-C 3.57Å; M93-V106 VanDerWaalsContact SD-O 3.4Å; M93-A107 HydrophobicContact CG-CB 4.37Å; M93-A107 HydrophobicContact SD-CB 4.16Å; M93-T119 HydrophobicContact CG-CG2 3.87Å; M93-T119 HydrophobicContact SD-CG2 4.42Å; M93-K120 WeakPolarHBondContact CE-O 3.32Å
94	S	98.7	Very high	98.5	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.035	26%	0.256	C	S	.	.			trans	-166.9	160.2	173.6	62.1	0	0	0	0	112.3	P83 V96 K97 N98 N99	P83-S94 WeakPolarHBondContact O-CA 3.21Å; S94-V96 VanDerWaalsContact C-N 3.29Å; S94-V96 PolarHBondContact O-N 3.45Å; S94-V96 WeakPolarHBondContact OG-CG2 3.18Å; S94-K97 PolarHBondContact O-N 3.38Å; S94-K97 VanDerWaalsContact O-N 3.11Å; S94-K97 WeakPolarHBondContact OG-CB 3.41Å; S94-K97 VanDerWaalsContact OG-CG 3.32Å; S94-K97 WeakPolarHBondContact OG-CG 3.17Å; S94-K97 PolarHBondContact OG-N 3.28Å; S94-N98 PolarHBondContact O-N 3Å; S94-N99 PolarHBondContact N-OD1 3.37Å; S94-N99 PolarHBondContact O-OD1 3.45Å
95	G	97.9	Very high	98.5	Very high	35 Å²	35	42.8 Å²	42.8	36%	0.361	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-53	-43.9	169.8	0	0	0	0	0	113.1	K97 N98	G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 2.95Å; G95-N98 PolarHBondContact O-N 3.41Å; G95-N98 PolarHBondContact O-OD1 3.22Å
96	V	97.8	Very high	98.5	Very high	132 Å²	132	42.8 Å²	42.8	80%	0.8	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66.7	-24.7	-180	-61.5	0	0	0	0	114	S94 N98	S94-V96 VanDerWaalsContact C-N 3.29Å; S94-V96 PolarHBondContact O-N 3.45Å; S94-V96 WeakPolarHBondContact OG-CG2 3.18Å; V96-N98 VanDerWaalsContact C-N 3.28Å
97	K	98.1	Very high	98.5	Very high	110 Å²	110	42.5 Å²	42.5	48%	0.478	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-83.7	-4.1	174.6	-74	177.7	76	85.1	0	112.7	V91 L92 S94 G95 N99	V91-K97 HydrophobicContact CB-CD 4.34Å; V91-K97 HydrophobicContact CG1-CD 3.95Å; V91-K97 WeakPolarHBondContact O-CD 3.39Å; V91-K97 WeakPolarHBondContact O-CE 3.27Å; V91-K97 PolarHBondContact O-NZ 3.16Å; L92-K97 WeakPolarHBondContact O-CE 3.3Å; S94-K97 PolarHBondContact O-N 3.38Å; S94-K97 VanDerWaalsContact O-N 3.11Å; S94-K97 WeakPolarHBondContact OG-CB 3.41Å; S94-K97 VanDerWaalsContact OG-CG 3.32Å; S94-K97 WeakPolarHBondContact OG-CG 3.17Å; S94-K97 PolarHBondContact OG-N 3.28Å; G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 2.95Å; K97-N99 VanDerWaalsContact CB-OD1 3.31Å; K97-N99 WeakPolarHBondContact CB-OD1 3.39Å; K97-N99 PolarHBondContact O-N 3.28Å; K97-N99 VanDerWaalsContact O-N 3.16Å
98	N	98.3	Very high	98.5	Very high	149 Å²	149	43 Å²	43	80%	0.797	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	33.9	-177.5	-58.1	-51.9	0	0	0	113.3	S94 G95 V96	S94-N98 PolarHBondContact O-N 3Å; G95-N98 PolarHBondContact O-N 3.41Å; G95-N98 PolarHBondContact O-OD1 3.22Å; V96-N98 VanDerWaalsContact C-N 3.28Å
99	N	98.7	Very high	98.6	Very high	34 Å²	34	41 Å²	41	18%	0.182	22%	0.224	C	C	.	.			trans	-124.6	24.5	-178.1	74.2	-25.4	0	0	0	113.1	L92 M93 S94 K97	L92-N99 PolarHBondContact O-ND2 3.11Å; M93-N99 WeakPolarHBondContact CA-OD1 3.4Å; M93-N99 WeakPolarHBondContact CE-O 3.36Å; S94-N99 PolarHBondContact N-OD1 3.37Å; S94-N99 PolarHBondContact O-OD1 3.45Å; K97-N99 VanDerWaalsContact CB-OD1 3.31Å; K97-N99 WeakPolarHBondContact CB-OD1 3.39Å; K97-N99 PolarHBondContact O-N 3.28Å; K97-N99 VanDerWaalsContact O-N 3.16Å
100	V	98.8	Very high	98.6	Very high	23 Å²	23	39.6 Å²	39.6	14%	0.139	22%	0.217	C	C	.	.			trans	-121.9	149	175.7	-64.9	0	0	0	0	110	P83 M93 N105	P83-V100 HydrophobicContact CG-CB 4.26Å; P83-V100 HydrophobicContact CG-CG1 4.12Å; M93-V100 HydrophobicContact CB-CG1 3.86Å; M93-V100 HydrophobicContact CE-CG1 4.33Å; V100-N105 WeakPolarHBondContact CA-OD1 3.49Å; V100-N105 WeakPolarHBondContact CB-OD1 3.41Å
101	G	98.8	Very high	98.6	Very high	10 Å²	10	35 Å²	35	10%	0.103	19%	0.193	C	C	.	.			trans	-150.9	168.1	-179.2	0	0	0	0	0	112.1	N105 Y150	G101-N105 PolarHBondContact N-OD1 3.24Å; G101-N105 PolarHBondContact O-ND2 2.85Å; G101-N105 PolarHBondContact O-OD1 3.13Å; G101-Y150 VanDerWaalsContact C-CD1 3.44Å; G101-Y150 WeakPolarHBondContact O-CB 3.23Å; G101-Y150 WeakPolarHBondContact O-CD1 3.03Å
102	R	98.8	Very high	98.5	Very high	99 Å²	99	36.9 Å²	36.9	37%	0.374	20%	0.197	S	C	.	.	S	Bend	trans	-52.3	143.8	175.8	174.3	172	71.1	-139.6	-2.9	110.5	D123 W125 D151	R102-D123 IonicContact CZ-OD1 3.77Å; R102-D123 IonicContact CZ-OD2 2.63Å; R102-D123 IonicContact NE-OD1 2.78Å; R102-D123 PolarHBondContact NE-OD1 2.91Å; R102-D123 IonicContact NE-OD2 2.89Å; R102-D123 PolarHBondContact NE-OD2 2.65Å; R102-D123 IonicContact NH2-OD1 2.65Å; R102-D123 IonicContact NH2-OD2 2.64Å; R102-D123 PolarHBondContact NH2-OD2 3.38Å; R102-D123 WeakPolarHBondContact O-CA 3.26Å; R102-W125 HydrophobicContact CG-CB 4.49Å; R102-D151 WeakPolarHBondContact CD-OD2 3.47Å; R102-D151 HydrophobicContact CG-CB 4Å
103	G	98.8	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.6	-146.3	-180	0	0	0	0	0	113.6	F122 T149 Y150 D152	G103-F122 VanDerWaalsContact CA-O 3.23Å; G103-F122 WeakPolarHBondContact CA-O 3.33Å; G103-T149 CarbonylContact O-C 3.51Å; G103-T149 WeakPolarHBondContact O-CA 3.45Å; G103-Y150 PolarHBondContact N-O 3.33Å; G103-Y150 PolarHBondContact O-N 2.88Å; G103-D152 VanDerWaalsContact CA-O 3.23Å; G103-D152 WeakPolarHBondContact CA-O 3.4Å
104	I	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.4	178.1	-62.3	172.9	0	0	0	108.5	V106 Y121 F122 M124 F132 M147 G153 L157 W182	I104-V106 HydrophobicContact CG2-CG2 3.8Å; I104-Y121 CarbonylContact O-C 3.57Å; I104-Y121 VanDerWaalsContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CA 3.41Å; I104-F122 PolarHBondContact N-O 3.05Å; I104-F122 PolarHBondContact O-N 3.29Å; I104-M124 HydrophobicContact CD1-CG 4Å; I104-M124 HydrophobicContact CG1-CG 3.96Å; I104-F132 HydrophobicContact CB-CZ 4.39Å; I104-F132 HydrophobicContact CD1-CE1 3.81Å; I104-F132 HydrophobicContact CD1-CZ 4.15Å; I104-F132 HydrophobicContact CG2-CZ 4.13Å; I104-M147 HydrophobicContact CG2-CB 4.13Å; I104-M147 HydrophobicContact CG2-CG 4.46Å; I104-M147 HydrophobicContact CG2-SD 4.16Å; I104-G153 WeakPolarHBondContact CD1-O 3.39Å; I104-L157 HydrophobicContact CD1-CD1 4.26Å; I104-L157 HydrophobicContact CD1-CD2 4.05Å; I104-W182 HydrophobicContact CG2-CZ3 4.42Å
105	N	98.9	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.9	176.7	-67.1	-104.7	0	0	0	108.1	P83 M93 V100 G101 Y121 M147 G148	P83-N105 HydrophobicContact CG-CB 3.93Å; M93-N105 HydrophobicContact CE-CB 3.77Å; M93-N105 HydrophobicContact SD-CB 4.16Å; V100-N105 WeakPolarHBondContact CA-OD1 3.49Å; V100-N105 WeakPolarHBondContact CB-OD1 3.41Å; G101-N105 PolarHBondContact N-OD1 3.24Å; G101-N105 PolarHBondContact O-ND2 2.85Å; G101-N105 PolarHBondContact O-OD1 3.13Å; N105-Y121 WeakPolarHBondContact OD1-CB 3.37Å; N105-M147 CarbonylContact O-C 3.54Å; N105-M147 VanDerWaalsContact O-CA 3.26Å; N105-M147 WeakPolarHBondContact O-CA 3.08Å; N105-G148 WeakPolarHBondContact CB-O 3.4Å; N105-G148 PolarHBondContact N-O 2.83Å; N105-G148 PolarHBondContact O-N 3.06Å
106	V	98.9	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.5	-172.3	-170	0	0	0	0	111	M93 I104 L108 T119 K120 F122 F132 F135 V145 L146 M147	M93-V106 VanDerWaalsContact SD-C 3.57Å; M93-V106 VanDerWaalsContact SD-O 3.4Å; I104-V106 HydrophobicContact CG2-CG2 3.8Å; V106-L108 HydrophobicContact CG1-CD2 3.96Å; V106-T119 WeakPolarHBondContact O-CA 3.49Å; V106-K120 PolarHBondContact N-O 2.99Å; V106-K120 PolarHBondContact O-N 3.21Å; V106-K120 VanDerWaalsContact O-O 3.14Å; V106-F122 HydrophobicContact CG2-CD2 4.47Å; V106-F122 HydrophobicContact CG2-CE2 4.49Å; V106-F132 HydrophobicContact CG2-CE2 4.05Å; V106-F135 HydrophobicContact CB-CE1 4.07Å; V106-F135 HydrophobicContact CB-CZ 4.39Å; V106-F135 HydrophobicContact CG1-CE1 3.8Å; V106-F135 HydrophobicContact CG1-CZ 4.17Å; V106-F135 HydrophobicContact CG2-CE1 4.45Å; V106-V145 HydrophobicContact CG1-CG1 3.87Å; V106-L146 CarbonylContact C-O 3.6Å; V106-L146 VanDerWaalsContact CA-O 3.3Å; V106-L146 WeakPolarHBondContact CA-O 3.35Å; V106-M147 HydrophobicContact CG1-CE 4.33Å; V106-M147 HydrophobicContact CG1-CG 4.1Å; V106-M147 HydrophobicContact CG2-CE 4.48Å; V106-M147 HydrophobicContact CG2-CG 3.99Å; V106-M147 HydrophobicContact CG2-SD 4.25Å
107	A	98.9	Very high	98.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.1	167.4	0	0	0	0	0	109.9	I85 L92 M93 T119 L146	I85-A107 HydrophobicContact CD1-CB 4.41Å; I85-A107 HydrophobicContact CG2-CB 4.19Å; L92-A107 HydrophobicContact CB-CB 4.18Å; L92-A107 HydrophobicContact CD1-CB 3.8Å; M93-A107 HydrophobicContact CG-CB 4.37Å; M93-A107 HydrophobicContact SD-CB 4.16Å; A107-T119 HydrophobicContact CB-CG2 4.1Å; A107-L146 HydrophobicContact CB-CB 4.46Å; A107-L146 HydrophobicContact CB-CD1 4.45Å; A107-L146 PolarHBondContact N-O 2.86Å; A107-L146 PolarHBondContact O-N 2.88Å
108	L	98.9	Very high	98.4	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.6	175.1	-57.3	-175.3	0	0	0	109.3	V106 L117 D118 F135 I139 T143 I144 V145	V106-L108 HydrophobicContact CG1-CD2 3.96Å; L108-L117 HydrophobicContact CB-CB 4.11Å; L108-L117 PolarHBondContact O-N 2.05Å; L108-D118 HydrophobicContact CD1-CB 4.38Å; L108-D118 PolarHBondContact N-O 2.89Å; L108-D118 PolarHBondContact O-N 3.46Å; L108-F135 HydrophobicContact CD1-CE1 4.27Å; L108-F135 HydrophobicContact CD1-CE2 3.98Å; L108-F135 HydrophobicContact CD1-CZ 3.53Å; L108-F135 HydrophobicContact CD2-CE1 4.46Å; L108-F135 HydrophobicContact CD2-CZ 4.27Å; L108-F135 HydrophobicContact CG-CE1 4.49Å; L108-F135 HydrophobicContact CG-CZ 3.82Å; L108-I139 HydrophobicContact CD1-CG1 4.06Å; L108-I139 HydrophobicContact CD2-CD1 3.88Å; L108-I139 HydrophobicContact CD2-CG1 4.25Å; L108-T143 HydrophobicContact CB-CG2 3.85Å; L108-T143 HydrophobicContact CD2-CG2 4.07Å; L108-T143 HydrophobicContact CG-CG2 4.38Å; L108-I144 WeakPolarHBondContact CA-O 3.35Å; L108-V145 HydrophobicContact CD2-CB 4.2Å; L108-V145 HydrophobicContact CD2-CG1 3.79Å; L108-V145 HydrophobicContact CD2-CG2 3.86Å
109	A	98.8	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.7	174.4	0	0	0	0	0	111.6	L87 G111 E115 T143 I144	L87-A109 HydrophobicContact CD2-CB 3.41Å; L87-A109 VanDerWaalsContact CD2-CB 3.41Å; A109-G111 PolarHBondContact O-N 3.08Å; A109-E115 CarbonylContact C-O 3.49Å; A109-E115 WeakPolarHBondContact CA-O 3.05Å; A109-E115 WeakPolarHBondContact CB-O 3.35Å; A109-T143 WeakPolarHBondContact O-CA 3.45Å; A109-I144 HydrophobicContact CB-CB 4.32Å; A109-I144 PolarHBondContact N-O 2.8Å; A109-I144 PolarHBondContact O-N 3.07Å
110	N	98.3	Very high	98.4	Very high	52 Å²	52	41.1 Å²	41.1	28%	0.278	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.8	176.1	-176	-42.5	0	0	0	109.8	K112 T113 G114 E115 L117	N110-K112 PolarHBondContact O-N 3.06Å; N110-K112 VanDerWaalsContact O-N 3.16Å; N110-K112 WeakPolarHBondContact OD1-CB 3.4Å; N110-K112 PolarHBondContact OD1-N 3.01Å; N110-T113 WeakPolarHBondContact CB-OG1 3.37Å; N110-T113 PolarHBondContact O-N 2.94Å; N110-T113 PolarHBondContact OD1-N 2.86Å; N110-G114 WeakPolarHBondContact O-CA 3.36Å; N110-G114 PolarHBondContact O-N 2.98Å; N110-E115 PolarHBondContact N-O 3.03Å; N110-L117 HydrophobicContact CB-CD1 4.4Å; N110-L117 HydrophobicContact CB-CD2 4.26Å; N110-L117 HydrophobicContact CB-CG 4.37Å
111	G	97.6	Very high	98.4	Very high	4 Å²	4	45.8 Å²	45.8	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.7	-177.4	0	0	0	0	0	115.8	A109 G142 K225	A109-G111 PolarHBondContact O-N 3.08Å; G111-G142 WeakPolarHBondContact CA-O 3.38Å; G111-G142 PolarHBondContact N-O 2.88Å; G111-K225 WeakPolarHBondContact O-CB 3.26Å; G111-K225 PolarHBondContact O-N 3.24Å
112	K	96.9	Very high	98.4	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.387	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-42	173.3	-62.9	-171.3	-179.8	-174.8	0	112.4	N110 Q224 K225 D227	N110-K112 PolarHBondContact O-N 3.06Å; N110-K112 VanDerWaalsContact O-N 3.16Å; N110-K112 WeakPolarHBondContact OD1-CB 3.4Å; N110-K112 PolarHBondContact OD1-N 3.01Å; K112-Q224 PolarHBondContact O-NE2 2.76Å; K112-K225 HydrophobicContact CG-CB 4.27Å; K112-D227 WeakPolarHBondContact CE-OD1 3.45Å; K112-D227 IonicContact NZ-OD1 3.73Å; K112-D227 PolarHBondContact NZ-OD1 3.1Å
113	T	97.2	Very high	98.4	Very high	72 Å²	72	44 Å²	44	44%	0.442	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-21.1	-173.7	63.4	0	0	0	0	113.8	N110 E115	N110-T113 WeakPolarHBondContact CB-OG1 3.37Å; N110-T113 PolarHBondContact O-N 2.94Å; N110-T113 PolarHBondContact OD1-N 2.86Å; T113-E115 PolarHBondContact O-N 3.48Å; T113-E115 WeakPolarHBondContact OG1-CB 3.46Å; T113-E115 WeakPolarHBondContact OG1-CG 3.02Å; T113-E115 PolarHBondContact OG1-N 2.87Å; T113-E115 PolarHBondContact OG1-OE2 2.87Å; T113-E115 VanDerWaalsContact OG1-OE2 3.11Å
114	G	97.1	Very high	98.4	Very high	12 Å²	12	44 Å²	44	12%	0.124	22%	0.223	C	C	.	.			trans	76.2	2.8	-171.6	0	0	0	0	0	113.6	F69 N110	F69-G114 VanDerWaalsContact CZ-N 3.33Å; N110-G114 WeakPolarHBondContact O-CA 3.36Å; N110-G114 PolarHBondContact O-N 2.98Å
115	E	97.9	Very high	98.4	Very high	128 Å²	128	49.8 Å²	49.8	60%	0.598	25%	0.245	S	C	*	.			trans	-71	138.5	179.5	-68	172.4	149.7	0	0	111.3	A109 N110 T113 L117	A109-E115 CarbonylContact C-O 3.49Å; A109-E115 WeakPolarHBondContact CA-O 3.05Å; A109-E115 WeakPolarHBondContact CB-O 3.35Å; N110-E115 PolarHBondContact N-O 3.03Å; T113-E115 PolarHBondContact O-N 3.48Å; T113-E115 WeakPolarHBondContact OG1-CB 3.46Å; T113-E115 WeakPolarHBondContact OG1-CG 3.02Å; T113-E115 PolarHBondContact OG1-N 2.87Å; T113-E115 PolarHBondContact OG1-OE2 2.87Å; T113-E115 VanDerWaalsContact OG1-OE2 3.11Å; E115-L117 PolarHBondContact O-N 2.76Å
116	V	98.3	Very high	98.3	Very high	79 Å²	79	52.4 Å²	52.4	48%	0.479	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.1	177.2	64.3	0	0	0	0	110.4	L92 T119	L92-V116 HydrophobicContact CD1-CG2 4.4Å; L92-V116 HydrophobicContact CD2-CB 3.99Å; L92-V116 HydrophobicContact CD2-CG2 4.16Å; V116-T119 HydrophobicContact CG2-CG2 3.97Å
117	L	98.5	Very high	98.2	Very high	96 Å²	96	53.5 Å²	53.5	50%	0.503	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-47.5	177.3	-63.3	176.8	0	0	0	111	L108 N110 E115 T143	L108-L117 HydrophobicContact CB-CB 4.11Å; L108-L117 PolarHBondContact O-N 2.05Å; N110-L117 HydrophobicContact CB-CD1 4.4Å; N110-L117 HydrophobicContact CB-CD2 4.26Å; N110-L117 HydrophobicContact CB-CG 4.37Å; E115-L117 PolarHBondContact O-N 2.76Å; L117-T143 HydrophobicContact CD1-CG2 4Å
118	D	98.6	Very high	98.1	Very high	54 Å²	54	58.8 Å²	58.8	29%	0.289	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	157.1	176.8	-160.8	11.4	0	0	0	111.6	L108 K120	L108-D118 HydrophobicContact CD1-CB 4.38Å; L108-D118 PolarHBondContact N-O 2.89Å; L108-D118 PolarHBondContact O-N 3.46Å; D118-K120 IonicContact OD1-NZ 2.99Å; D118-K120 PolarHBondContact OD1-NZ 3.13Å; D118-K120 WeakPolarHBondContact OD2-CG 3.37Å; D118-K120 IonicContact OD2-NZ 2.58Å; D118-K120 PolarHBondContact OD2-NZ 2.98Å
119	T	98.8	Very high	98.1	Very high	38 Å²	38	58.9 Å²	58.9	23%	0.233	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.4	169.1	61.7	0	0	0	0	109.6	L92 M93 V106 A107 V116	L92-T119 HydrophobicContact CB-CG2 4.28Å; M93-T119 HydrophobicContact CG-CG2 3.87Å; M93-T119 HydrophobicContact SD-CG2 4.42Å; V106-T119 WeakPolarHBondContact O-CA 3.49Å; A107-T119 HydrophobicContact CB-CG2 4.1Å; V116-T119 HydrophobicContact CG2-CG2 3.97Å
120	K	98.8	Very high	98.1	Very high	93 Å²	93	60.8 Å²	60.8	40%	0.404	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.5	179.9	-68.5	-65	179.7	-63	0	110.6	M93 V106 D118 F122 F135	M93-K120 WeakPolarHBondContact CE-O 3.32Å; V106-K120 PolarHBondContact N-O 2.99Å; V106-K120 PolarHBondContact O-N 3.21Å; V106-K120 VanDerWaalsContact O-O 3.14Å; D118-K120 IonicContact OD1-NZ 2.99Å; D118-K120 PolarHBondContact OD1-NZ 3.13Å; D118-K120 WeakPolarHBondContact OD2-CG 3.37Å; D118-K120 IonicContact OD2-NZ 2.58Å; D118-K120 PolarHBondContact OD2-NZ 2.98Å; K120-F122 HydrophobicContact CB-CE2 3.78Å; K120-F122 HydrophobicContact CB-CZ 3.91Å; K120-F135 HydrophobicContact CB-CE2 4.28Å; K120-F135 HydrophobicContact CB-CZ 4.5Å; K120-F135 HydrophobicContact CG-CD2 4.44Å; K120-F135 HydrophobicContact CG-CE2 4.01Å
121	Y	98.8	Very high	98.1	Very high	122 Å²	122	61.5 Å²	61.5	48%	0.478	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.1	167.7	61.6	-96.6	0	0	0	109.7	I104 N105	I104-Y121 CarbonylContact O-C 3.57Å; I104-Y121 VanDerWaalsContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CA 3.41Å; N105-Y121 WeakPolarHBondContact OD1-CB 3.37Å
122	F	98.9	Very high	98.2	Very high	28 Å²	28	61.3 Å²	61.3	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.6	-176.1	-59	-88.4	0	0	0	109.5	G103 I104 V106 K120 M124 F132 F135	G103-F122 VanDerWaalsContact CA-O 3.23Å; G103-F122 WeakPolarHBondContact CA-O 3.33Å; I104-F122 PolarHBondContact N-O 3.05Å; I104-F122 PolarHBondContact O-N 3.29Å; V106-F122 HydrophobicContact CG2-CD2 4.47Å; V106-F122 HydrophobicContact CG2-CE2 4.49Å; K120-F122 HydrophobicContact CB-CE2 3.78Å; K120-F122 HydrophobicContact CB-CZ 3.91Å; F122-M124 HydrophobicContact CB-CE 3.75Å; F122-M124 PolarHBondContact O-N 2.91Å; F122-M124 VanDerWaalsContact O-N 3.08Å; F122-F132 HydrophobicContact CB-CB 3.91Å; F122-F132 HydrophobicContact CB-CD1 4.49Å; F122-F132 HydrophobicContact CB-CD2 4.16Å; F122-F132 HydrophobicContact CB-CG 3.95Å; F122-F132 HydrophobicContact CD1-CB 3.56Å; F122-F132 HydrophobicContact CD1-CD2 4.06Å; F122-F132 HydrophobicContact CD1-CG 4.13Å; F122-F132 HydrophobicContact CD2-CB 4.27Å; F122-F132 AromaticContact CD2-CD2 3.23Å; F122-F132 HydrophobicContact CD2-CD2 3.23Å; F122-F132 AromaticContact CD2-CE2 3.72Å; F122-F132 HydrophobicContact CD2-CE2 3.72Å; F122-F132 AromaticContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CE1-CB 4.13Å; F122-F132 HydrophobicContact CE1-CD2 4.29Å; F122-F132 AromaticContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CE2 4.01Å; F122-F132 HydrophobicContact CE2-CG 4.47Å; F122-F132 HydrophobicContact CG-CB 3.65Å; F122-F132 AromaticContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CE2 4.38Å; F122-F132 AromaticContact CG-CG 3.72Å; F122-F132 HydrophobicContact CG-CG 3.72Å; F122-F132 HydrophobicContact CZ-CD2 4.05Å; F122-F135 HydrophobicContact CE1-CB 4.07Å; F122-F135 HydrophobicContact CE1-CG 4.43Å; F122-F135 HydrophobicContact CE2-CB 4.29Å; F122-F135 AromaticContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD2 4.39Å; F122-F135 HydrophobicContact CE2-CE1 4.02Å; F122-F135 AromaticContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CZ 4.5Å; F122-F135 HydrophobicContact CZ-CB 3.49Å; F122-F135 VanDerWaalsContact CZ-CB 3.49Å; F122-F135 AromaticContact CZ-CD1 3.72Å; F122-F135 HydrophobicContact CZ-CD1 3.72Å; F122-F135 AromaticContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CE1 4.38Å; F122-F135 HydrophobicContact CZ-CE2 4.47Å; F122-F135 AromaticContact CZ-CG 3.4Å; F122-F135 HydrophobicContact CZ-CG 3.4Å; F122-F135 VanDerWaalsContact CZ-CG 3.4Å
123	D	98.8	Very high	98.3	Very high	42 Å²	42	57.6 Å²	57.6	23%	0.225	32%	0.318	C	S	.	.			trans	-70	101.3	-177.7	-178.6	5.1	0	0	0	111.4	R102 W125 G126 G127	R102-D123 IonicContact CZ-OD1 3.77Å; R102-D123 IonicContact CZ-OD2 2.63Å; R102-D123 IonicContact NE-OD1 2.78Å; R102-D123 PolarHBondContact NE-OD1 2.91Å; R102-D123 IonicContact NE-OD2 2.89Å; R102-D123 PolarHBondContact NE-OD2 2.65Å; R102-D123 IonicContact NH2-OD1 2.65Å; R102-D123 IonicContact NH2-OD2 2.64Å; R102-D123 PolarHBondContact NH2-OD2 3.38Å; R102-D123 WeakPolarHBondContact O-CA 3.26Å; D123-W125 VanDerWaalsContact C-N 3.27Å; D123-W125 PolarHBondContact O-N 2.84Å; D123-W125 PolarHBondContact OD1-N 2.99Å; D123-G126 PolarHBondContact OD1-N 2.81Å; D123-G126 PolarHBondContact OD2-N 2.04Å; D123-G127 VanDerWaalsContact O-CA 3.22Å; D123-G127 WeakPolarHBondContact O-CA 3.41Å; D123-G127 PolarHBondContact O-N 3.5Å; D123-G127 VanDerWaalsContact O-N 3.08Å
124	M	98.7	Very high	98.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	10	-179.8	-63.4	-63.5	92.3	0	0	113.8	I104 F122 V129 F132 G153 T155 K156 L157	I104-M124 HydrophobicContact CD1-CG 4Å; I104-M124 HydrophobicContact CG1-CG 3.96Å; F122-M124 HydrophobicContact CB-CE 3.75Å; F122-M124 PolarHBondContact O-N 2.91Å; F122-M124 VanDerWaalsContact O-N 3.08Å; M124-V129 HydrophobicContact SD-CG2 4.41Å; M124-F132 HydrophobicContact CE-CB 4.31Å; M124-F132 HydrophobicContact CE-CD1 4.13Å; M124-F132 HydrophobicContact SD-CD1 3.89Å; M124-F132 HydrophobicContact SD-CE1 4.36Å; M124-G153 WeakPolarHBondContact CB-O 3.02Å; M124-G153 WeakPolarHBondContact CG-O 3.03Å; M124-T155 CarbonylContact O-C 3.58Å; M124-T155 WeakPolarHBondContact O-CB 3.35Å; M124-T155 PolarHBondContact O-N 2.96Å; M124-K156 WeakPolarHBondContact O-CB 3.36Å; M124-K156 VanDerWaalsContact O-CG 3.29Å; M124-K156 WeakPolarHBondContact O-CG 3.46Å; M124-K156 PolarHBondContact O-N 3.35Å; M124-L157 HydrophobicContact CG-CD2 4.42Å; M124-L157 HydrophobicContact SD-CD2 3.66Å; M124-L157 HydrophobicContact SD-CG 4.12Å
125	W	98.1	Very high	98.4	Very high	122 Å²	122	61.5 Å²	61.5	46%	0.462	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-57.2	172.3	174.7	-102.6	0	0	0	111.6	R102 D123 D152 T155 K156 F178	R102-W125 HydrophobicContact CG-CB 4.49Å; D123-W125 VanDerWaalsContact C-N 3.27Å; D123-W125 PolarHBondContact O-N 2.84Å; D123-W125 PolarHBondContact OD1-N 2.99Å; W125-D152 HydrophobicContact CB-CB 4.31Å; W125-D152 HydrophobicContact CE3-CB 4.41Å; W125-T155 HydrophobicContact CE3-CG2 3.94Å; W125-T155 VanDerWaalsContact CE3-OG1 3.31Å; W125-T155 HydrophobicContact CZ3-CG2 3.99Å; W125-K156 WeakPolarHBondContact O-CG 3.42Å; W125-F178 HydrophobicContact CE3-CD2 4.14Å; W125-F178 AromaticContact CE3-CE2 3.71Å; W125-F178 HydrophobicContact CE3-CE2 3.71Å; W125-F178 AromaticContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CZ 4.37Å; W125-F178 AromaticContact CZ3-CD2 3.7Å; W125-F178 HydrophobicContact CZ3-CD2 3.7Å; W125-F178 AromaticContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CZ 4.1Å
126	G	96.8	Very high	98.5	Very high	56 Å²	56	55.6 Å²	55.6	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-10.2	-174.8	0	0	0	0	0	115.1	D123	D123-G126 PolarHBondContact OD1-N 2.81Å; D123-G126 PolarHBondContact OD2-N 2.04Å
127	G	97.4	Very high	98.5	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	30%	0.301	C	S	.	.	S	Bend	trans	-91.7	172.7	-174.9	0	0	0	0	0	114.6	D123 K156	D123-G127 VanDerWaalsContact O-CA 3.22Å; D123-G127 WeakPolarHBondContact O-CA 3.41Å; D123-G127 PolarHBondContact O-N 3.5Å; D123-G127 VanDerWaalsContact O-N 3.08Å; G127-K156 VanDerWaalsContact O-CE 3.26Å; G127-K156 WeakPolarHBondContact O-CE 3.46Å; G127-K156 WeakPolarHBondContact O-CG 3.24Å
128	D	97.8	Very high	98.5	Very high	111 Å²	111	55.8 Å²	55.8	59%	0.594	30%	0.303	S	S	*	.			trans	-84.3	141.7	166.9	-164.5	-19.6	0	0	0	110	A130	D128-A130 PolarHBondContact OD1-N 3.3Å
129	V	98.5	Very high	98.5	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.097	29%	0.291	C	S	.	.	S	Bend	trans	-80.7	-20.8	177.8	71.7	0	0	0	0	112.3	M124 F132 I133 K156 A161	M124-V129 HydrophobicContact SD-CG2 4.41Å; V129-F132 WeakPolarHBondContact O-CB 3.33Å; V129-F132 PolarHBondContact O-N 3.49Å; V129-F132 VanDerWaalsContact O-N 3.08Å; V129-I133 HydrophobicContact CG1-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CG1 4.24Å; V129-I133 PolarHBondContact O-N 3.33Å; V129-K156 WeakPolarHBondContact CB-O 3.37Å; V129-A161 HydrophobicContact CG2-CB 3.96Å
130	A	98.6	Very high	98.5	Very high	41 Å²	41	58.4 Å²	58.4	34%	0.339	31%	0.311	S	S	.	.	H	α-helix	trans	-56.9	-46.9	-176.3	0	0	0	0	0	114	D128 F132 I133 E134	D128-A130 PolarHBondContact OD1-N 3.3Å; A130-F132 PolarHBondContact O-N 3.29Å; A130-I133 PolarHBondContact O-N 3.13Å; A130-I133 VanDerWaalsContact O-N 3.13Å; A130-E134 PolarHBondContact O-N 3.26Å
131	P	98.8	Very high	98.4	Very high	66 Å²	66	59.6 Å²	59.6	43%	0.429	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-31.2	176.6	-23.7	35.1	0	0	0	113.3	F135	P131-F135 WeakPolarHBondContact O-CB 3.44Å; P131-F135 PolarHBondContact O-N 3.04Å
132	F	98.8	Very high	98.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-41.2	176.5	-176.1	-147	0	0	0	111.5	I104 V106 F122 M124 V129 A130 F135 L136 L157 I165	I104-F132 HydrophobicContact CB-CZ 4.39Å; I104-F132 HydrophobicContact CD1-CE1 3.81Å; I104-F132 HydrophobicContact CD1-CZ 4.15Å; I104-F132 HydrophobicContact CG2-CZ 4.13Å; V106-F132 HydrophobicContact CG2-CE2 4.05Å; F122-F132 HydrophobicContact CB-CB 3.91Å; F122-F132 HydrophobicContact CB-CD1 4.49Å; F122-F132 HydrophobicContact CB-CD2 4.16Å; F122-F132 HydrophobicContact CB-CG 3.95Å; F122-F132 HydrophobicContact CD1-CB 3.56Å; F122-F132 HydrophobicContact CD1-CD2 4.06Å; F122-F132 HydrophobicContact CD1-CG 4.13Å; F122-F132 HydrophobicContact CD2-CB 4.27Å; F122-F132 AromaticContact CD2-CD2 3.23Å; F122-F132 HydrophobicContact CD2-CD2 3.23Å; F122-F132 AromaticContact CD2-CE2 3.72Å; F122-F132 HydrophobicContact CD2-CE2 3.72Å; F122-F132 AromaticContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CE1-CB 4.13Å; F122-F132 HydrophobicContact CE1-CD2 4.29Å; F122-F132 AromaticContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CE2 4.01Å; F122-F132 HydrophobicContact CE2-CG 4.47Å; F122-F132 HydrophobicContact CG-CB 3.65Å; F122-F132 AromaticContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CE2 4.38Å; F122-F132 AromaticContact CG-CG 3.72Å; F122-F132 HydrophobicContact CG-CG 3.72Å; F122-F132 HydrophobicContact CZ-CD2 4.05Å; M124-F132 HydrophobicContact CE-CB 4.31Å; M124-F132 HydrophobicContact CE-CD1 4.13Å; M124-F132 HydrophobicContact SD-CD1 3.89Å; M124-F132 HydrophobicContact SD-CE1 4.36Å; V129-F132 WeakPolarHBondContact O-CB 3.33Å; V129-F132 PolarHBondContact O-N 3.49Å; V129-F132 VanDerWaalsContact O-N 3.08Å; A130-F132 PolarHBondContact O-N 3.29Å; F132-F135 HydrophobicContact CD2-CD1 4.34Å; F132-F135 HydrophobicContact CE2-CD1 4.44Å; F132-F135 WeakPolarHBondContact O-CB 3.42Å; F132-F135 PolarHBondContact O-N 3.41Å; F132-L136 HydrophobicContact CD1-CD1 4.24Å; F132-L136 HydrophobicContact CD2-CD1 4.11Å; F132-L136 HydrophobicContact CD2-CG 3.97Å; F132-L136 HydrophobicContact CE1-CD1 4Å; F132-L136 HydrophobicContact CE2-CD1 3.86Å; F132-L136 HydrophobicContact CE2-CD2 3.8Å; F132-L136 HydrophobicContact CE2-CG 3.71Å; F132-L136 HydrophobicContact CG-CD1 4.29Å; F132-L136 HydrophobicContact CZ-CD1 3.81Å; F132-L136 HydrophobicContact CZ-CD2 4.1Å; F132-L136 HydrophobicContact CZ-CG 4.13Å; F132-L136 VanDerWaalsContact O-CG 3.26Å; F132-L136 WeakPolarHBondContact O-CG 3.43Å; F132-L136 PolarHBondContact O-N 3.3Å; F132-L157 HydrophobicContact CD1-CD2 4.36Å; F132-L157 HydrophobicContact CE1-CD2 4.05Å; F132-I165 HydrophobicContact CE1-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CG1 4.45Å
133	I	98.9	Very high	98.2	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-44.3	175.7	-69.3	168	0	0	0	110.9	V129 A130 F135 L136 K137 E160 A161 L164	V129-I133 HydrophobicContact CG1-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CG1 4.24Å; V129-I133 PolarHBondContact O-N 3.33Å; A130-I133 PolarHBondContact O-N 3.13Å; A130-I133 VanDerWaalsContact O-N 3.13Å; I133-F135 VanDerWaalsContact C-N 3.34Å; I133-F135 PolarHBondContact O-N 3.28Å; I133-L136 PolarHBondContact O-N 3.39Å; I133-K137 HydrophobicContact CG2-CD 4.05Å; I133-K137 WeakPolarHBondContact O-CG 3.28Å; I133-K137 PolarHBondContact O-N 3.02Å; I133-E160 HydrophobicContact CD1-CB 4.31Å; I133-E160 HydrophobicContact CD1-CG 4.38Å; I133-E160 HydrophobicContact CG2-CG 4.24Å; I133-A161 HydrophobicContact CD1-CB 4.4Å; I133-A161 HydrophobicContact CG1-CB 3.97Å; I133-L164 HydrophobicContact CG2-CD1 3.91Å
134	E	98.8	Very high	98.2	Very high	137 Å²	137	52.3 Å²	52.3	64%	0.64	30%	0.296	S	S	*	.	H	α-helix	trans	-59.7	-45.7	175.8	-71.7	178.3	178.2	0	0	111.5	A130 L136 K137 A138	A130-E134 PolarHBondContact O-N 3.26Å; E134-L136 PolarHBondContact O-N 2.82Å; E134-K137 PolarHBondContact O-N 2.88Å; E134-A138 PolarHBondContact O-N 2.97Å; E134-A138 VanDerWaalsContact O-N 3.12Å
135	F	98.8	Very high	98.3	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-47.4	174.6	174.5	-93.8	0	0	0	112.2	V106 L108 K120 F122 P131 F132 I133 K137 A138 I139	V106-F135 HydrophobicContact CB-CE1 4.07Å; V106-F135 HydrophobicContact CB-CZ 4.39Å; V106-F135 HydrophobicContact CG1-CE1 3.8Å; V106-F135 HydrophobicContact CG1-CZ 4.17Å; V106-F135 HydrophobicContact CG2-CE1 4.45Å; L108-F135 HydrophobicContact CD1-CE1 4.27Å; L108-F135 HydrophobicContact CD1-CE2 3.98Å; L108-F135 HydrophobicContact CD1-CZ 3.53Å; L108-F135 HydrophobicContact CD2-CE1 4.46Å; L108-F135 HydrophobicContact CD2-CZ 4.27Å; L108-F135 HydrophobicContact CG-CE1 4.49Å; L108-F135 HydrophobicContact CG-CZ 3.82Å; K120-F135 HydrophobicContact CB-CE2 4.28Å; K120-F135 HydrophobicContact CB-CZ 4.5Å; K120-F135 HydrophobicContact CG-CD2 4.44Å; K120-F135 HydrophobicContact CG-CE2 4.01Å; F122-F135 HydrophobicContact CE1-CB 4.07Å; F122-F135 HydrophobicContact CE1-CG 4.43Å; F122-F135 HydrophobicContact CE2-CB 4.29Å; F122-F135 AromaticContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD2 4.39Å; F122-F135 HydrophobicContact CE2-CE1 4.02Å; F122-F135 AromaticContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CZ 4.5Å; F122-F135 HydrophobicContact CZ-CB 3.49Å; F122-F135 VanDerWaalsContact CZ-CB 3.49Å; F122-F135 AromaticContact CZ-CD1 3.72Å; F122-F135 HydrophobicContact CZ-CD1 3.72Å; F122-F135 AromaticContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CE1 4.38Å; F122-F135 HydrophobicContact CZ-CE2 4.47Å; F122-F135 AromaticContact CZ-CG 3.4Å; F122-F135 HydrophobicContact CZ-CG 3.4Å; F122-F135 VanDerWaalsContact CZ-CG 3.4Å; P131-F135 WeakPolarHBondContact O-CB 3.44Å; P131-F135 PolarHBondContact O-N 3.04Å; F132-F135 HydrophobicContact CD2-CD1 4.34Å; F132-F135 HydrophobicContact CE2-CD1 4.44Å; F132-F135 WeakPolarHBondContact O-CB 3.42Å; F132-F135 PolarHBondContact O-N 3.41Å; I133-F135 VanDerWaalsContact C-N 3.34Å; I133-F135 PolarHBondContact O-N 3.28Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 2.93Å; F135-A138 PolarHBondContact O-N 3.49Å; F135-I139 HydrophobicContact CE1-CD1 4.35Å; F135-I139 WeakPolarHBondContact O-CG1 3.22Å
136	L	98.8	Very high	98.3	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-38.3	179.3	-71.8	169.3	0	0	0	112.7	F132 I133 E134 A138 I139 M147 L164 I165 L168	F132-L136 HydrophobicContact CD1-CD1 4.24Å; F132-L136 HydrophobicContact CD2-CD1 4.11Å; F132-L136 HydrophobicContact CD2-CG 3.97Å; F132-L136 HydrophobicContact CE1-CD1 4Å; F132-L136 HydrophobicContact CE2-CD1 3.86Å; F132-L136 HydrophobicContact CE2-CD2 3.8Å; F132-L136 HydrophobicContact CE2-CG 3.71Å; F132-L136 HydrophobicContact CG-CD1 4.29Å; F132-L136 HydrophobicContact CZ-CD1 3.81Å; F132-L136 HydrophobicContact CZ-CD2 4.1Å; F132-L136 HydrophobicContact CZ-CG 4.13Å; F132-L136 VanDerWaalsContact O-CG 3.26Å; F132-L136 WeakPolarHBondContact O-CG 3.43Å; F132-L136 PolarHBondContact O-N 3.3Å; I133-L136 PolarHBondContact O-N 3.39Å; E134-L136 PolarHBondContact O-N 2.82Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-I139 HydrophobicContact CD2-CD1 4.09Å; L136-I139 PolarHBondContact O-N 3.08Å; L136-M147 HydrophobicContact CD2-CE 3.73Å; L136-L164 HydrophobicContact CB-CB 4.25Å; L136-L164 HydrophobicContact CB-CD1 4.08Å; L136-L164 HydrophobicContact CD1-CB 4.07Å; L136-L164 HydrophobicContact CD1-CD1 4.37Å; L136-I165 HydrophobicContact CD1-CD1 4.26Å; L136-I165 HydrophobicContact CD1-CG1 3.86Å; L136-I165 HydrophobicContact CD2-CG1 4.07Å; L136-L168 HydrophobicContact CD2-CD1 4.27Å
137	K	98.6	Very high	98.4	Very high	116 Å²	116	43.8 Å²	43.8	50%	0.504	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-31.6	177.4	-74.7	173.2	178.8	171.2	0	112.5	I133 E134 F135 I139 E160 L164	I133-K137 HydrophobicContact CG2-CD 4.05Å; I133-K137 WeakPolarHBondContact O-CG 3.28Å; I133-K137 PolarHBondContact O-N 3.02Å; E134-K137 PolarHBondContact O-N 2.88Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 2.93Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3Å; K137-E160 WeakPolarHBondContact CE-OE1 3.05Å; K137-E160 IonicContact NZ-OE1 3.38Å; K137-E160 PolarHBondContact NZ-OE1 3.48Å; K137-L164 HydrophobicContact CG-CD1 4.04Å; K137-L164 HydrophobicContact CG-CD2 4.29Å
138	A	98.5	Very high	98.5	Very high	64 Å²	64	42.8 Å²	42.8	53%	0.529	24%	0.236	S	C	.	.	H	α-helix	trans	-77.2	-12.8	-179	0	0	0	0	0	114.1	E134 F135 L136 Q140	E134-A138 PolarHBondContact O-N 2.97Å; E134-A138 VanDerWaalsContact O-N 3.12Å; F135-A138 PolarHBondContact O-N 3.49Å; L136-A138 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 3.03Å; A138-Q140 PolarHBondContact O-NE2 2.86Å
139	I	98.6	Very high	98.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.041	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-62.7	123.1	-179.8	-57.5	176.7	0	0	0	110.1	L108 F135 L136 K137 T143 V145 L168 K188	L108-I139 HydrophobicContact CD1-CG1 4.06Å; L108-I139 HydrophobicContact CD2-CD1 3.88Å; L108-I139 HydrophobicContact CD2-CG1 4.25Å; F135-I139 HydrophobicContact CE1-CD1 4.35Å; F135-I139 WeakPolarHBondContact O-CG1 3.22Å; L136-I139 HydrophobicContact CD2-CD1 4.09Å; L136-I139 PolarHBondContact O-N 3.08Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3Å; I139-T143 HydrophobicContact CG2-CG2 3.88Å; I139-V145 HydrophobicContact CD1-CG1 4.42Å; I139-V145 HydrophobicContact CD1-CG2 4.2Å; I139-V145 HydrophobicContact CG2-CG2 4.09Å; I139-L168 HydrophobicContact CD1-CD1 4.45Å; I139-K188 HydrophobicContact CB-CD 4.44Å; I139-K188 HydrophobicContact CG2-CB 3.84Å; I139-K188 HydrophobicContact CG2-CD 4.35Å; I139-K188 HydrophobicContact CG2-CG 4.2Å; I139-K188 WeakPolarHBondContact O-CE 3.36Å
140	Q	97.9	Very high	98.5	Very high	139 Å²	139	38.4 Å²	38.4	65%	0.65	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-80.2	149.1	-178.9	-59.2	-60.2	-53.1	0	0	112.3	A138 T143 K188	A138-Q140 PolarHBondContact O-N 3.03Å; A138-Q140 PolarHBondContact O-NE2 2.86Å; Q140-T143 WeakPolarHBondContact O-CB 3.32Å; Q140-T143 PolarHBondContact O-N 2.94Å; Q140-T143 PolarHBondContact O-OG1 3.26Å; Q140-K188 WeakPolarHBondContact O-CB 3.21Å
141	D	97.4	Very high	98.5	Very high	117 Å²	117	37.4 Å²	37.4	63%	0.626	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	137.2	177.2	-94.2	25.8	0	0	0	112.6	T143 K188	D141-T143 VanDerWaalsContact C-N 3.32Å; D141-K188 WeakPolarHBondContact OD1-CG 3.37Å
142	G	96.1	Very high	98.6	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	4.5	-175.3	0	0	0	0	0	115.2	G111 K188	G111-G142 WeakPolarHBondContact CA-O 3.38Å; G111-G142 PolarHBondContact N-O 2.88Å; G142-K188 PolarHBondContact N-O 2.9Å
143	T	98.6	Very high	98.5	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.2	170.5	-57.6	0	0	0	0	110.5	L108 A109 L117 I139 Q140 D141 V145 G187 K188	L108-T143 HydrophobicContact CB-CG2 3.85Å; L108-T143 HydrophobicContact CD2-CG2 4.07Å; L108-T143 HydrophobicContact CG-CG2 4.38Å; A109-T143 WeakPolarHBondContact O-CA 3.45Å; L117-T143 HydrophobicContact CD1-CG2 4Å; I139-T143 HydrophobicContact CG2-CG2 3.88Å; Q140-T143 WeakPolarHBondContact O-CB 3.32Å; Q140-T143 PolarHBondContact O-N 2.94Å; Q140-T143 PolarHBondContact O-OG1 3.26Å; D141-T143 VanDerWaalsContact C-N 3.32Å; T143-V145 HydrophobicContact CG2-CG2 4.36Å; T143-G187 VanDerWaalsContact O-CA 3.28Å; T143-G187 WeakPolarHBondContact O-CA 3.38Å; T143-K188 PolarHBondContact O-N 3.38Å
144	I	98.8	Very high	98.5	Very high	11 Å²	11	34 Å²	34	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.8	166	-63.5	168.8	0	0	0	107.8	F69 L108 A109 L146 I222	F69-I144 HydrophobicContact CD2-CD1 3.78Å; F69-I144 HydrophobicContact CE2-CD1 4.16Å; L108-I144 WeakPolarHBondContact CA-O 3.35Å; A109-I144 HydrophobicContact CB-CB 4.32Å; A109-I144 PolarHBondContact N-O 2.8Å; A109-I144 PolarHBondContact O-N 3.07Å; I144-L146 HydrophobicContact CG2-CD1 3.73Å; I144-L146 HydrophobicContact CG2-CG 4.23Å; I144-I222 HydrophobicContact CD1-CD1 4.38Å; I144-I222 HydrophobicContact CD1-CG2 4.06Å; I144-I222 HydrophobicContact CG1-CG2 4.34Å; I144-I222 HydrophobicContact CG2-CD1 3.86Å
145	V	98.9	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.8	-178.2	-170.7	0	0	0	0	109.6	V106 L108 I139 T143 M147 L168 C185 G186	V106-V145 HydrophobicContact CG1-CG1 3.87Å; L108-V145 HydrophobicContact CD2-CB 4.2Å; L108-V145 HydrophobicContact CD2-CG1 3.79Å; L108-V145 HydrophobicContact CD2-CG2 3.86Å; I139-V145 HydrophobicContact CD1-CG1 4.42Å; I139-V145 HydrophobicContact CD1-CG2 4.2Å; I139-V145 HydrophobicContact CG2-CG2 4.09Å; T143-V145 HydrophobicContact CG2-CG2 4.36Å; V145-M147 HydrophobicContact CG1-CE 3.33Å; V145-M147 HydrophobicContact CG1-CG 4.06Å; V145-L168 HydrophobicContact CB-CD1 4.27Å; V145-L168 HydrophobicContact CG1-CD1 3.99Å; V145-L168 HydrophobicContact CG2-CD1 4.19Å; V145-L168 HydrophobicContact CG2-CD2 4.3Å; V145-C185 CarbonylContact O-C 3.48Å; V145-C185 WeakPolarHBondContact O-CA 3.23Å; V145-G186 PolarHBondContact N-O 3.29Å; V145-G186 PolarHBondContact O-N 3.21Å
146	L	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.6	175.4	-55.5	101.9	0	0	0	109.4	F71 M73 I85 V106 A107 I144 F184	F71-L146 HydrophobicContact CB-CD2 4.14Å; F71-L146 HydrophobicContact CD2-CD2 4.14Å; F71-L146 HydrophobicContact CG-CD2 4.34Å; M73-L146 HydrophobicContact CE-CB 4.3Å; M73-L146 HydrophobicContact SD-CD2 4.42Å; I85-L146 HydrophobicContact CD1-CB 4.43Å; I85-L146 HydrophobicContact CG2-CB 3.82Å; I85-L146 HydrophobicContact CG2-CD2 3.88Å; I85-L146 HydrophobicContact CG2-CG 4.3Å; V106-L146 CarbonylContact C-O 3.6Å; V106-L146 VanDerWaalsContact CA-O 3.3Å; V106-L146 WeakPolarHBondContact CA-O 3.35Å; A107-L146 HydrophobicContact CB-CB 4.46Å; A107-L146 HydrophobicContact CB-CD1 4.45Å; A107-L146 PolarHBondContact N-O 2.86Å; A107-L146 PolarHBondContact O-N 2.88Å; I144-L146 HydrophobicContact CG2-CD1 3.73Å; I144-L146 HydrophobicContact CG2-CG 4.23Å; L146-F184 CarbonylContact C-O 3.44Å; L146-F184 WeakPolarHBondContact CA-O 3.43Å
147	M	98.9	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.7	-179.6	-55.5	-166.6	-174	0	0	111.7	M73 I104 N105 V106 L136 V145 I165 L168 W182 V183 F184	M73-M147 WeakPolarHBondContact CE-O 3.26Å; I104-M147 HydrophobicContact CG2-CB 4.13Å; I104-M147 HydrophobicContact CG2-CG 4.46Å; I104-M147 HydrophobicContact CG2-SD 4.16Å; N105-M147 CarbonylContact O-C 3.54Å; N105-M147 VanDerWaalsContact O-CA 3.26Å; N105-M147 WeakPolarHBondContact O-CA 3.08Å; V106-M147 HydrophobicContact CG1-CE 4.33Å; V106-M147 HydrophobicContact CG1-CG 4.1Å; V106-M147 HydrophobicContact CG2-CE 4.48Å; V106-M147 HydrophobicContact CG2-CG 3.99Å; V106-M147 HydrophobicContact CG2-SD 4.25Å; L136-M147 HydrophobicContact CD2-CE 3.73Å; V145-M147 HydrophobicContact CG1-CE 3.33Å; V145-M147 HydrophobicContact CG1-CG 4.06Å; M147-I165 HydrophobicContact CE-CG1 4.2Å; M147-I165 HydrophobicContact CE-CG2 4.4Å; M147-I165 HydrophobicContact SD-CD1 4.42Å; M147-I165 HydrophobicContact SD-CG1 4.31Å; M147-I165 HydrophobicContact SD-CG2 4.11Å; M147-L168 HydrophobicContact CE-CD1 3.59Å; M147-W182 HydrophobicContact CB-CE3 4.42Å; M147-W182 HydrophobicContact CB-CH2 3.75Å; M147-W182 HydrophobicContact CB-CZ3 3.49Å; M147-W182 VanDerWaalsContact CB-CZ3 3.49Å; M147-W182 HydrophobicContact CG-CH2 4.26Å; M147-W182 HydrophobicContact CG-CZ3 4.33Å; M147-W182 HydrophobicContact SD-CH2 3.73Å; M147-W182 HydrophobicContact SD-CZ3 3.98Å; M147-V183 CarbonylContact O-C 3.51Å; M147-V183 WeakPolarHBondContact O-CA 3.44Å; M147-F184 HydrophobicContact CB-CB 4.49Å; M147-F184 HydrophobicContact CB-CD1 4.31Å; M147-F184 HydrophobicContact CG-CD1 4.16Å; M147-F184 PolarHBondContact N-O 3.23Å; M147-F184 PolarHBondContact O-N 3.1Å; M147-F184 HydrophobicContact SD-CD1 4.37Å
148	G	98.9	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.7	174.3	0	0	0	0	0	112.2	N105 W182	N105-G148 WeakPolarHBondContact CB-O 3.4Å; N105-G148 PolarHBondContact N-O 2.83Å; N105-G148 PolarHBondContact O-N 3.06Å; G148-W182 WeakPolarHBondContact CA-O 3.15Å
149	T	98.9	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	151	178.8	53.3	0	0	0	0	112.7	G76 G103 L176 N181 W182	G76-T149 PolarHBondContact N-O 2.86Å; G103-T149 CarbonylContact O-C 3.51Å; G103-T149 WeakPolarHBondContact O-CA 3.45Å; T149-L176 HydrophobicContact CG2-CD2 4.34Å; T149-N181 WeakPolarHBondContact OG1-CA 3.45Å; T149-N181 PolarHBondContact OG1-OD1 3.46Å; T149-N181 VanDerWaalsContact OG1-OD1 3.1Å; T149-W182 HydrophobicContact CG2-CB 3.91Å; T149-W182 HydrophobicContact CG2-CE3 4.17Å; T149-W182 PolarHBondContact N-O 3.08Å; T149-W182 PolarHBondContact OG1-N 3.34Å; T149-W182 PolarHBondContact OG1-O 3.26Å
150	Y	98.9	Very high	98.5	Very high	35 Å²	35	38.1 Å²	38.1	14%	0.137	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	126.1	166.4	-170.7	-165.5	0	0	0	110	A78 N79 V81 G101 G103 D152	A78-Y150 WeakPolarHBondContact O-CD2 2.97Å; A78-Y150 WeakPolarHBondContact O-CE2 3.37Å; N79-Y150 VanDerWaalsContact C-OH 3.26Å; N79-Y150 PolarHBondContact O-OH 3.04Å; V81-Y150 VanDerWaalsContact O-CE2 3.28Å; V81-Y150 WeakPolarHBondContact O-CE2 3.33Å; G101-Y150 VanDerWaalsContact C-CD1 3.44Å; G101-Y150 WeakPolarHBondContact O-CB 3.23Å; G101-Y150 WeakPolarHBondContact O-CD1 3.03Å; G103-Y150 PolarHBondContact N-O 3.33Å; G103-Y150 PolarHBondContact O-N 2.88Å; Y150-D152 VanDerWaalsContact C-N 3.34Å; Y150-D152 PolarHBondContact O-N 3.47Å
151	D	98.8	Very high	98.5	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.107	17%	0.167	C	C	.	.	S	Bend	trans	61.7	-79.8	-176	177.5	23.2	0	0	0	113.6	A78 N79 R102 R179 W212	A78-D151 WeakPolarHBondContact O-CA 3.5Å; A78-D151 PolarHBondContact O-N 3.29Å; N79-D151 HydrophobicContact CB-CB 3.98Å; R102-D151 WeakPolarHBondContact CD-OD2 3.47Å; R102-D151 HydrophobicContact CG-CB 4Å; D151-R179 WeakPolarHBondContact O-CA 3.5Å; D151-R179 WeakPolarHBondContact O-CG 3.21Å; D151-R179 IonicContact OD1-NE 3.99Å; D151-W212 PolarHBondContact O-NE1 3.21Å; D151-W212 WeakPolarHBondContact OD1-CZ2 3.46Å; D151-W212 PolarHBondContact OD1-NE1 2.93Å
152	D	98.8	Very high	98.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.145	C	C	.	.			trans	-137.7	120.2	175	177.1	52.1	0	0	0	111.8	G103 W125 Y150 A154 T155 F178 R179	G103-D152 VanDerWaalsContact CA-O 3.23Å; G103-D152 WeakPolarHBondContact CA-O 3.4Å; W125-D152 HydrophobicContact CB-CB 4.31Å; W125-D152 HydrophobicContact CE3-CB 4.41Å; Y150-D152 VanDerWaalsContact C-N 3.34Å; Y150-D152 PolarHBondContact O-N 3.47Å; D152-A154 PolarHBondContact OD1-N 3.29Å; D152-T155 WeakPolarHBondContact OD2-CB 3.44Å; D152-T155 PolarHBondContact OD2-N 3.38Å; D152-T155 VanDerWaalsContact OD2-N 3.13Å; D152-T155 PolarHBondContact OD2-OG1 3.38Å; D152-F178 HydrophobicContact CB-CD2 4.38Å; D152-F178 HydrophobicContact CB-CE2 4.39Å; D152-F178 WeakPolarHBondContact OD1-CA 3.41Å; D152-R179 HydrophobicContact CB-CG 4.23Å; D152-R179 PolarHBondContact OD1-N 3.06Å
153	G	98.6	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-101.3	2.3	179.5	0	0	0	0	0	114.9	I104 M124 L157	I104-G153 WeakPolarHBondContact CD1-O 3.39Å; M124-G153 WeakPolarHBondContact CB-O 3.02Å; M124-G153 WeakPolarHBondContact CG-O 3.03Å; G153-L157 VanDerWaalsContact O-CD1 3.29Å; G153-L157 WeakPolarHBondContact O-CD1 3.45Å; G153-L157 WeakPolarHBondContact O-CG 3.42Å
154	A	98.7	Very high	98.7	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	16%	0.162	C	C	.	.	S	Bend	trans	-124.7	-30.1	-161.2	0	0	0	0	0	116.8	D152 K156 L157 L176 G177	D152-A154 PolarHBondContact OD1-N 3.29Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 PolarHBondContact O-N 3.48Å; A154-L157 WeakPolarHBondContact O-CB 3.36Å; A154-L157 PolarHBondContact O-N 2.58Å; A154-L176 HydrophobicContact CB-CG 4.36Å; A154-L176 WeakPolarHBondContact CB-O 3.29Å; A154-G177 WeakPolarHBondContact CB-O 3.45Å
155	T	98.6	Very high	98.7	Very high	70 Å²	70	33.6 Å²	33.6	43%	0.429	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-36	-165	-60.9	0	0	0	0	113.8	M124 W125 D152	M124-T155 CarbonylContact O-C 3.58Å; M124-T155 WeakPolarHBondContact O-CB 3.35Å; M124-T155 PolarHBondContact O-N 2.96Å; W125-T155 HydrophobicContact CE3-CG2 3.94Å; W125-T155 VanDerWaalsContact CE3-OG1 3.31Å; W125-T155 HydrophobicContact CZ3-CG2 3.99Å; D152-T155 WeakPolarHBondContact OD2-CB 3.44Å; D152-T155 PolarHBondContact OD2-N 3.38Å; D152-T155 VanDerWaalsContact OD2-N 3.13Å; D152-T155 PolarHBondContact OD2-OG1 3.38Å
156	K	98.6	Very high	98.7	Very high	96 Å²	96	35.2 Å²	35.2	42%	0.417	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.6	180	-60.6	-64.2	-61	-176.5	0	114	M124 W125 G127 V129 A154 N158	M124-K156 WeakPolarHBondContact O-CB 3.36Å; M124-K156 VanDerWaalsContact O-CG 3.29Å; M124-K156 WeakPolarHBondContact O-CG 3.46Å; M124-K156 PolarHBondContact O-N 3.35Å; W125-K156 WeakPolarHBondContact O-CG 3.42Å; G127-K156 VanDerWaalsContact O-CE 3.26Å; G127-K156 WeakPolarHBondContact O-CE 3.46Å; G127-K156 WeakPolarHBondContact O-CG 3.24Å; V129-K156 WeakPolarHBondContact CB-O 3.37Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 PolarHBondContact O-N 3.48Å; K156-N158 PolarHBondContact O-N 2.88Å
157	L	98.4	Very high	98.7	Very high	17 Å²	17	40 Å²	40	9%	0.089	20%	0.195	C	C	.	.			trans	-65.7	128.5	176.4	-73.9	179.2	0	0	0	110.8	I104 M124 F132 G153 A154 A161 R162 I173 L176	I104-L157 HydrophobicContact CD1-CD1 4.26Å; I104-L157 HydrophobicContact CD1-CD2 4.05Å; M124-L157 HydrophobicContact CG-CD2 4.42Å; M124-L157 HydrophobicContact SD-CD2 3.66Å; M124-L157 HydrophobicContact SD-CG 4.12Å; F132-L157 HydrophobicContact CD1-CD2 4.36Å; F132-L157 HydrophobicContact CE1-CD2 4.05Å; G153-L157 VanDerWaalsContact O-CD1 3.29Å; G153-L157 WeakPolarHBondContact O-CD1 3.45Å; G153-L157 WeakPolarHBondContact O-CG 3.42Å; A154-L157 WeakPolarHBondContact O-CB 3.36Å; A154-L157 PolarHBondContact O-N 2.58Å; L157-A161 HydrophobicContact CD2-CB 3.92Å; L157-R162 HydrophobicContact CB-CG 4.27Å; L157-R162 HydrophobicContact CD1-CG 4.44Å; L157-I173 HydrophobicContact CD1-CD1 3.77Å; L157-L176 HydrophobicContact CD1-CD2 4.37Å
158	N	98.5	Very high	98.7	Very high	59 Å²	59	40 Å²	40	32%	0.316	20%	0.196	S	C	.	.			trans	-104.6	174	170.9	69.7	5	0	0	0	111.3	K156 E160 A161 R162	K156-N158 PolarHBondContact O-N 2.88Å; N158-E160 PolarHBondContact O-N 2.92Å; N158-E160 PolarHBondContact OD1-N 3.43Å; N158-A161 PolarHBondContact O-N 2.87Å; N158-A161 WeakPolarHBondContact OD1-CB 3.44Å; N158-A161 PolarHBondContact OD1-N 2.9Å; N158-R162 WeakPolarHBondContact O-CG 3.37Å; N158-R162 PolarHBondContact O-N 3.42Å
159	D	98.7	Very high	98.7	Very high	140 Å²	140	40.3 Å²	40.3	75%	0.749	20%	0.198	S	C	*	.	H	α-helix	trans	-60.6	-32.9	-177.8	-63.2	-20.2	0	0	0	112.7	R163	D159-R163 VanDerWaalsContact O-CB 3.24Å; D159-R163 WeakPolarHBondContact O-CB 3.28Å; D159-R163 PolarHBondContact O-N 3.08Å
160	E	98.7	Very high	98.7	Very high	64 Å²	64	40.6 Å²	40.6	30%	0.299	20%	0.2	S	C	.	.	H	α-helix	trans	-67	-49.7	177.8	-176.4	174.6	-162.9	0	0	111.8	I133 K137 N158 R162 R163 L164	I133-E160 HydrophobicContact CD1-CB 4.31Å; I133-E160 HydrophobicContact CD1-CG 4.38Å; I133-E160 HydrophobicContact CG2-CG 4.24Å; K137-E160 WeakPolarHBondContact CE-OE1 3.05Å; K137-E160 IonicContact NZ-OE1 3.38Å; K137-E160 PolarHBondContact NZ-OE1 3.48Å; N158-E160 PolarHBondContact O-N 2.92Å; N158-E160 PolarHBondContact OD1-N 3.43Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.72Å; E160-R163 PolarHBondContact O-N 3.16Å; E160-L164 HydrophobicContact CG-CD1 4.11Å; E160-L164 WeakPolarHBondContact O-CG 3.36Å; E160-L164 PolarHBondContact O-N 2.89Å
161	A	98.8	Very high	98.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-44.2	177	0	0	0	0	0	111.1	V129 I133 L157 N158 R163 L164 I165	V129-A161 HydrophobicContact CG2-CB 3.96Å; I133-A161 HydrophobicContact CD1-CB 4.4Å; I133-A161 HydrophobicContact CG1-CB 3.97Å; L157-A161 HydrophobicContact CD2-CB 3.92Å; N158-A161 PolarHBondContact O-N 2.87Å; N158-A161 WeakPolarHBondContact OD1-CB 3.44Å; N158-A161 PolarHBondContact OD1-N 2.9Å; A161-R163 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 3.02Å; A161-I165 VanDerWaalsContact O-CG1 3.29Å; A161-I165 WeakPolarHBondContact O-CG1 3.26Å; A161-I165 PolarHBondContact O-N 3.03Å
162	R	98.8	Very high	98.6	Very high	41 Å²	41	42.1 Å²	42.1	16%	0.155	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-45.4	176.6	-68.3	178.1	-172	-86.6	3.3	111.5	L157 N158 E160 I165 A166 I173 L176	L157-R162 HydrophobicContact CB-CG 4.27Å; L157-R162 HydrophobicContact CD1-CG 4.44Å; N158-R162 WeakPolarHBondContact O-CG 3.37Å; N158-R162 PolarHBondContact O-N 3.42Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.72Å; R162-I165 PolarHBondContact O-N 3.38Å; R162-A166 WeakPolarHBondContact O-CB 3.26Å; R162-A166 PolarHBondContact O-N 2.89Å; R162-I173 HydrophobicContact CG-CG1 4.46Å; R162-I173 PolarHBondContact NH1-O 3.39Å; R162-I173 WeakPolarHBondContact O-CG2 3.42Å; R162-L176 PolarHBondContact NH1-O 2.72Å; R162-L176 PolarHBondContact NH2-O 2.78Å
163	R	98.8	Very high	98.6	Very high	146 Å²	146	42 Å²	42	55%	0.551	22%	0.215	S	C	*	.	H	α-helix	trans	-61.6	-46.3	177.1	-176.3	-176.7	64.9	158.1	-0.1	111.8	D159 E160 A161 I165 A166 E167	D159-R163 VanDerWaalsContact O-CB 3.24Å; D159-R163 WeakPolarHBondContact O-CB 3.28Å; D159-R163 PolarHBondContact O-N 3.08Å; E160-R163 PolarHBondContact O-N 3.16Å; A161-R163 PolarHBondContact O-N 2.91Å; R163-I165 VanDerWaalsContact C-N 3.3Å; R163-I165 PolarHBondContact O-N 2.97Å; R163-A166 WeakPolarHBondContact O-CB 3.5Å; R163-A166 PolarHBondContact O-N 2.87Å; R163-A166 VanDerWaalsContact O-N 3.16Å; R163-E167 WeakPolarHBondContact O-CG 3.29Å; R163-E167 PolarHBondContact O-N 2.89Å
164	L	98.8	Very high	98.6	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-39.4	179.3	-73.9	168.9	0	0	0	112.1	I133 L136 K137 E160 A161 E167 L168	I133-L164 HydrophobicContact CG2-CD1 3.91Å; L136-L164 HydrophobicContact CB-CB 4.25Å; L136-L164 HydrophobicContact CB-CD1 4.08Å; L136-L164 HydrophobicContact CD1-CB 4.07Å; L136-L164 HydrophobicContact CD1-CD1 4.37Å; K137-L164 HydrophobicContact CG-CD1 4.04Å; K137-L164 HydrophobicContact CG-CD2 4.29Å; E160-L164 HydrophobicContact CG-CD1 4.11Å; E160-L164 WeakPolarHBondContact O-CG 3.36Å; E160-L164 PolarHBondContact O-N 2.89Å; A161-L164 PolarHBondContact O-N 3.02Å; L164-E167 PolarHBondContact O-N 3.4Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å
165	I	98.8	Very high	98.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73.4	-35.6	176.3	-60.6	164.1	0	0	0	111	F132 L136 M147 A161 R162 R163 E167 L168 S170 I173 W182 F184	F132-I165 HydrophobicContact CE1-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CG1 4.45Å; L136-I165 HydrophobicContact CD1-CD1 4.26Å; L136-I165 HydrophobicContact CD1-CG1 3.86Å; L136-I165 HydrophobicContact CD2-CG1 4.07Å; M147-I165 HydrophobicContact CE-CG1 4.2Å; M147-I165 HydrophobicContact CE-CG2 4.4Å; M147-I165 HydrophobicContact SD-CD1 4.42Å; M147-I165 HydrophobicContact SD-CG1 4.31Å; M147-I165 HydrophobicContact SD-CG2 4.11Å; A161-I165 VanDerWaalsContact O-CG1 3.29Å; A161-I165 WeakPolarHBondContact O-CG1 3.26Å; A161-I165 PolarHBondContact O-N 3.03Å; R162-I165 PolarHBondContact O-N 3.38Å; R163-I165 VanDerWaalsContact C-N 3.3Å; R163-I165 PolarHBondContact O-N 2.97Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.84Å; I165-L168 WeakPolarHBondContact O-CB 3.38Å; I165-L168 PolarHBondContact O-N 3.18Å; I165-S170 PolarHBondContact O-N 2.91Å; I165-I173 HydrophobicContact CB-CB 4.3Å; I165-I173 HydrophobicContact CB-CG1 3.84Å; I165-I173 HydrophobicContact CB-CG2 4Å; I165-I173 HydrophobicContact CD1-CD1 3.86Å; I165-I173 HydrophobicContact CD1-CG1 3.74Å; I165-I173 HydrophobicContact CG1-CG1 4.41Å; I165-I173 HydrophobicContact CG2-CB 3.88Å; I165-I173 HydrophobicContact CG2-CD1 4.32Å; I165-I173 HydrophobicContact CG2-CG1 3.74Å; I165-I173 HydrophobicContact CG2-CG2 3.89Å; I165-W182 HydrophobicContact CG2-CH2 3.82Å; I165-W182 HydrophobicContact CG2-CZ2 4.23Å; I165-F184 HydrophobicContact CG2-CE1 4.43Å
166	A	98.7	Very high	98.6	Very high	34 Å²	34	49 Å²	49	28%	0.281	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-37	174	0	0	0	0	0	111.9	R162 R163 L168 G169 S170 I173	R162-A166 WeakPolarHBondContact O-CB 3.26Å; R162-A166 PolarHBondContact O-N 2.89Å; R163-A166 WeakPolarHBondContact O-CB 3.5Å; R163-A166 PolarHBondContact O-N 2.87Å; R163-A166 VanDerWaalsContact O-N 3.16Å; A166-L168 PolarHBondContact O-N 3.43Å; A166-G169 WeakPolarHBondContact O-CA 3.23Å; A166-G169 PolarHBondContact O-N 2.88Å; A166-S170 WeakPolarHBondContact CA-O 3.11Å; A166-I173 HydrophobicContact CB-CG2 4.13Å
167	E	98.4	Very high	98.6	Very high	99 Å²	99	45.6 Å²	45.6	46%	0.463	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.8	172.6	-72.5	172.7	-167.8	0	0	113.5	R163 L164 I165 G169	R163-E167 WeakPolarHBondContact O-CG 3.29Å; R163-E167 PolarHBondContact O-N 2.89Å; L164-E167 PolarHBondContact O-N 3.4Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.84Å; E167-G169 PolarHBondContact O-N 2.8Å
168	L	98.6	Very high	98.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.3	171.4	-56.3	174.4	0	0	0	112.9	L136 I139 V145 M147 L164 I165 A166 F184 G186 G187 K188 I190	L136-L168 HydrophobicContact CD2-CD1 4.27Å; I139-L168 HydrophobicContact CD1-CD1 4.45Å; V145-L168 HydrophobicContact CB-CD1 4.27Å; V145-L168 HydrophobicContact CG1-CD1 3.99Å; V145-L168 HydrophobicContact CG2-CD1 4.19Å; V145-L168 HydrophobicContact CG2-CD2 4.3Å; M147-L168 HydrophobicContact CE-CD1 3.59Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; I165-L168 WeakPolarHBondContact O-CB 3.38Å; I165-L168 PolarHBondContact O-N 3.18Å; A166-L168 PolarHBondContact O-N 3.43Å; L168-F184 HydrophobicContact CB-CE1 4.08Å; L168-F184 HydrophobicContact CB-CZ 4.08Å; L168-F184 WeakPolarHBondContact O-CZ 3.29Å; L168-G186 WeakPolarHBondContact O-CA 3.44Å; L168-G187 PolarHBondContact O-N 3.23Å; L168-G187 VanDerWaalsContact O-N 3.13Å; L168-K188 HydrophobicContact CD2-CB 4.1Å; L168-K188 HydrophobicContact CD2-CD 3.68Å; L168-I190 VanDerWaalsContact C-CG2 3.44Å; L168-I190 WeakPolarHBondContact O-CG2 3.36Å
169	G	98.6	Very high	98.6	Very high	5 Å²	5	48.6 Å²	48.6	5%	0.052	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	108	5.1	176.9	0	0	0	0	0	115.2	A166 E167 S194	A166-G169 WeakPolarHBondContact O-CA 3.23Å; A166-G169 PolarHBondContact O-N 2.88Å; E167-G169 PolarHBondContact O-N 2.8Å; G169-S194 PolarHBondContact O-N 3.1Å
170	S	98.8	Very high	98.6	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.042	22%	0.218	C	C	.	.			trans	-76.1	142.6	178.9	173.9	0	0	0	0	111.9	I165 A166 I173 E197	I165-S170 PolarHBondContact O-N 2.91Å; A166-S170 WeakPolarHBondContact CA-O 3.11Å; S170-I173 VanDerWaalsContact OG-CB 3.23Å; S170-I173 WeakPolarHBondContact OG-CB 3.45Å; S170-I173 VanDerWaalsContact OG-CG2 3.24Å; S170-I173 WeakPolarHBondContact OG-CG2 3.41Å; S170-I173 PolarHBondContact OG-N 2.78Å; S170-I173 VanDerWaalsContact OG-N 3.13Å; S170-E197 WeakPolarHBondContact CB-OE1 3.42Å; S170-E197 PolarHBondContact OG-OE1 3.4Å
171	T	98.5	Very high	98.6	Very high	58 Å²	58	39.3 Å²	39.3	36%	0.356	21%	0.205	S	C	.	.	S	Bend	trans	-112.6	-32.5	171.8	60.3	0	0	0	0	112.5	K193 E197	T171-K193 HydrophobicContact CG2-CB 4.12Å; T171-K193 HydrophobicContact CG2-CD 3.52Å; T171-K193 HydrophobicContact CG2-CG 3.63Å; T171-E197 PolarHBondContact N-OE1 2.9Å; T171-E197 PolarHBondContact N-OE2 3.31Å; T171-E197 PolarHBondContact OG1-OE2 2.83Å
172	S	98.6	Very high	98.6	Very high	29 Å²	29	39.3 Å²	39.3	20%	0.203	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-72.6	-29	-179.9	-57.4	0	0	0	0	112.4	T174 N175 L176 E197	S172-T174 PolarHBondContact O-N 2.98Å; S172-T174 VanDerWaalsContact O-N 3.13Å; S172-N175 CarbonylContact O-C 3.58Å; S172-N175 PolarHBondContact O-N 3.17Å; S172-L176 PolarHBondContact O-N 2.9Å; S172-E197 WeakPolarHBondContact CB-OE1 3.35Å; S172-E197 PolarHBondContact N-OE1 2.92Å; S172-E197 PolarHBondContact N-OE2 3.02Å
173	I	98.7	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-60.2	-28.7	-175.4	-162.8	63.9	0	0	0	113.4	L157 R162 I165 A166 S170 N175 L176 W182	L157-I173 HydrophobicContact CD1-CD1 3.77Å; R162-I173 HydrophobicContact CG-CG1 4.46Å; R162-I173 PolarHBondContact NH1-O 3.39Å; R162-I173 WeakPolarHBondContact O-CG2 3.42Å; I165-I173 HydrophobicContact CB-CB 4.3Å; I165-I173 HydrophobicContact CB-CG1 3.84Å; I165-I173 HydrophobicContact CB-CG2 4Å; I165-I173 HydrophobicContact CD1-CD1 3.86Å; I165-I173 HydrophobicContact CD1-CG1 3.74Å; I165-I173 HydrophobicContact CG1-CG1 4.41Å; I165-I173 HydrophobicContact CG2-CB 3.88Å; I165-I173 HydrophobicContact CG2-CD1 4.32Å; I165-I173 HydrophobicContact CG2-CG1 3.74Å; I165-I173 HydrophobicContact CG2-CG2 3.89Å; A166-I173 HydrophobicContact CB-CG2 4.13Å; S170-I173 VanDerWaalsContact OG-CB 3.23Å; S170-I173 WeakPolarHBondContact OG-CB 3.45Å; S170-I173 VanDerWaalsContact OG-CG2 3.24Å; S170-I173 WeakPolarHBondContact OG-CG2 3.41Å; S170-I173 PolarHBondContact OG-N 2.78Å; S170-I173 VanDerWaalsContact OG-N 3.13Å; I173-N175 PolarHBondContact O-N 3.05Å; I173-L176 HydrophobicContact CD1-CB 4.28Å; I173-L176 HydrophobicContact CD1-CD2 3.77Å; I173-L176 PolarHBondContact O-N 2.96Å; I173-W182 HydrophobicContact CB-CZ2 4.45Å; I173-W182 HydrophobicContact CD1-CH2 4.21Å; I173-W182 HydrophobicContact CD1-CZ2 4.47Å; I173-W182 HydrophobicContact CD1-CZ3 4.29Å
174	T	98.2	Very high	98.7	Very high	80 Å²	80	30.4 Å²	30.4	49%	0.491	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-61.6	-33.3	177.8	-51.3	0	0	0	0	111.7	S172	S172-T174 PolarHBondContact O-N 2.98Å; S172-T174 VanDerWaalsContact O-N 3.13Å
175	N	98.1	Very high	98.7	Very high	136 Å²	136	29.9 Å²	29.9	73%	0.727	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	6.1	-175.4	-61.6	-46.9	0	0	0	113.4	S172 I173 G177	S172-N175 CarbonylContact O-C 3.58Å; S172-N175 PolarHBondContact O-N 3.17Å; I173-N175 PolarHBondContact O-N 3.05Å; N175-G177 PolarHBondContact O-N 3.49Å
176	L	98.7	Very high	98.6	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.173	C	C	.	.			trans	-60.7	122.1	-178.2	-168.6	72.4	0	0	0	110.4	T149 A154 L157 R162 S172 I173 D180 W182	T149-L176 HydrophobicContact CG2-CD2 4.34Å; A154-L176 HydrophobicContact CB-CG 4.36Å; A154-L176 WeakPolarHBondContact CB-O 3.29Å; L157-L176 HydrophobicContact CD1-CD2 4.37Å; R162-L176 PolarHBondContact NH1-O 2.72Å; R162-L176 PolarHBondContact NH2-O 2.78Å; S172-L176 PolarHBondContact O-N 2.9Å; I173-L176 HydrophobicContact CD1-CB 4.28Å; I173-L176 HydrophobicContact CD1-CD2 3.77Å; I173-L176 PolarHBondContact O-N 2.96Å; L176-D180 HydrophobicContact CD1-CB 3.56Å; L176-D180 HydrophobicContact CG-CB 4.27Å; L176-W182 HydrophobicContact CD1-CB 3.6Å; L176-W182 HydrophobicContact CD1-CG 4.1Å; L176-W182 HydrophobicContact CD2-CB 4.4Å; L176-W182 HydrophobicContact CD2-CD2 4.5Å; L176-W182 HydrophobicContact CD2-CE3 4.36Å
177	G	98.6	Very high	98.6	Very high	25 Å²	25	29.4 Å²	29.4	26%	0.258	17%	0.167	S	C	.	.			trans	-111.1	178.8	-175.1	0	0	0	0	0	114.1	A154 N175 R179 D180	A154-G177 WeakPolarHBondContact CB-O 3.45Å; N175-G177 PolarHBondContact O-N 3.49Å; G177-R179 PolarHBondContact O-N 2.52Å; G177-D180 PolarHBondContact N-OD2 2.72Å; G177-D180 VanDerWaalsContact O-CB 3.32Å; G177-D180 WeakPolarHBondContact O-CB 3.13Å; G177-D180 PolarHBondContact O-N 3.29Å; G177-D180 VanDerWaalsContact O-N 3.09Å
178	F	98.8	Very high	98.5	Very high	85 Å²	85	26.7 Å²	26.7	37%	0.373	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	120	-176.9	172.4	-112.2	0	0	0	112.5	W125 D152 D180 N202	W125-F178 HydrophobicContact CE3-CD2 4.14Å; W125-F178 AromaticContact CE3-CE2 3.71Å; W125-F178 HydrophobicContact CE3-CE2 3.71Å; W125-F178 AromaticContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CZ 4.37Å; W125-F178 AromaticContact CZ3-CD2 3.7Å; W125-F178 HydrophobicContact CZ3-CD2 3.7Å; W125-F178 AromaticContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CZ 4.1Å; D152-F178 HydrophobicContact CB-CD2 4.38Å; D152-F178 HydrophobicContact CB-CE2 4.39Å; D152-F178 WeakPolarHBondContact OD1-CA 3.41Å; F178-D180 PolarHBondContact O-N 2.87Å; F178-N202 VanDerWaalsContact O-CB 3.28Å; F178-N202 WeakPolarHBondContact O-CB 3.48Å; F178-N202 PolarHBondContact O-ND2 2.83Å
179	R	98.7	Very high	98.3	Very high	54 Å²	54	28.1 Å²	28.1	20%	0.204	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	16.2	-178	-57.4	177.5	170.3	-179	1.5	115.9	D151 D152 G177 N181 N202 G211 W212 P213	D151-R179 WeakPolarHBondContact O-CA 3.5Å; D151-R179 WeakPolarHBondContact O-CG 3.21Å; D151-R179 IonicContact OD1-NE 3.99Å; D152-R179 HydrophobicContact CB-CG 4.23Å; D152-R179 PolarHBondContact OD1-N 3.06Å; G177-R179 PolarHBondContact O-N 2.52Å; R179-N181 PolarHBondContact O-N 3.17Å; R179-N202 HydrophobicContact CB-CB 4.29Å; R179-G211 WeakPolarHBondContact CD-O 3.46Å; R179-G211 PolarHBondContact NH1-O 3.37Å; R179-W212 VanDerWaalsContact CZ-CH2 3.42Å; R179-W212 VanDerWaalsContact NH1-CH2 3.31Å; R179-W212 VanDerWaalsContact NH2-CH2 3.3Å; R179-P213 WeakPolarHBondContact O-CD 3.34Å; R179-P213 VanDerWaalsContact O-CG 3.28Å; R179-P213 WeakPolarHBondContact O-CG 3.43Å
180	D	98.8	Very high	98.1	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	18%	0.179	C	C	.	.			trans	-60.5	134.8	167.1	-75.6	-1.6	0	0	0	109.4	L176 G177 F178 H199 K201 N202	L176-D180 HydrophobicContact CD1-CB 3.56Å; L176-D180 HydrophobicContact CG-CB 4.27Å; G177-D180 PolarHBondContact N-OD2 2.72Å; G177-D180 VanDerWaalsContact O-CB 3.32Å; G177-D180 WeakPolarHBondContact O-CB 3.13Å; G177-D180 PolarHBondContact O-N 3.29Å; G177-D180 VanDerWaalsContact O-N 3.09Å; F178-D180 PolarHBondContact O-N 2.87Å; D180-H199 VanDerWaalsContact CB-NE2 3.34Å; D180-H199 WeakPolarHBondContact CB-NE2 3.45Å; D180-H199 IonicContact OD2-CD2 3.92Å; D180-H199 IonicContact OD2-CE1 3.59Å; D180-H199 IonicContact OD2-NE2 2.81Å; D180-H199 PolarHBondContact OD2-NE2 3.13Å; D180-K201 WeakPolarHBondContact OD1-CA 3.29Å; D180-K201 WeakPolarHBondContact OD1-CG 3.41Å; D180-N202 PolarHBondContact OD1-N 2.95Å
181	N	98.8	Very high	97.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.9	173	-102.2	-16.9	0	0	0	109.6	S75 G76 T149 R179 H199 I200 P213 E214 V216	S75-N181 WeakPolarHBondContact CB-OD1 3.33Å; S75-N181 PolarHBondContact OG-ND2 3.26Å; G76-N181 PolarHBondContact O-ND2 3.48Å; T149-N181 WeakPolarHBondContact OG1-CA 3.45Å; T149-N181 PolarHBondContact OG1-OD1 3.46Å; T149-N181 VanDerWaalsContact OG1-OD1 3.1Å; R179-N181 PolarHBondContact O-N 3.17Å; N181-H199 CarbonylContact O-C 3.54Å; N181-H199 VanDerWaalsContact O-CA 3.26Å; N181-H199 WeakPolarHBondContact O-CA 3.47Å; N181-H199 PolarHBondContact O-CD2 3.36Å; N181-I200 PolarHBondContact N-O 2.94Å; N181-I200 PolarHBondContact O-N 3.22Å; N181-P213 HydrophobicContact CB-CG 3.95Å; N181-E214 PolarHBondContact ND2-O 2.75Å; N181-V216 HydrophobicContact CB-CG1 4.09Å
182	W	98.9	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.9	-175.7	172.1	74.5	0	0	0	111	I104 M147 G148 T149 I165 I173 L176 F184 E197 Q198	I104-W182 HydrophobicContact CG2-CZ3 4.42Å; M147-W182 HydrophobicContact CB-CE3 4.42Å; M147-W182 HydrophobicContact CB-CH2 3.75Å; M147-W182 HydrophobicContact CB-CZ3 3.49Å; M147-W182 VanDerWaalsContact CB-CZ3 3.49Å; M147-W182 HydrophobicContact CG-CH2 4.26Å; M147-W182 HydrophobicContact CG-CZ3 4.33Å; M147-W182 HydrophobicContact SD-CH2 3.73Å; M147-W182 HydrophobicContact SD-CZ3 3.98Å; G148-W182 WeakPolarHBondContact CA-O 3.15Å; T149-W182 HydrophobicContact CG2-CB 3.91Å; T149-W182 HydrophobicContact CG2-CE3 4.17Å; T149-W182 PolarHBondContact N-O 3.08Å; T149-W182 PolarHBondContact OG1-N 3.34Å; T149-W182 PolarHBondContact OG1-O 3.26Å; I165-W182 HydrophobicContact CG2-CH2 3.82Å; I165-W182 HydrophobicContact CG2-CZ2 4.23Å; I173-W182 HydrophobicContact CB-CZ2 4.45Å; I173-W182 HydrophobicContact CD1-CH2 4.21Å; I173-W182 HydrophobicContact CD1-CZ2 4.47Å; I173-W182 HydrophobicContact CD1-CZ3 4.29Å; L176-W182 HydrophobicContact CD1-CB 3.6Å; L176-W182 HydrophobicContact CD1-CG 4.1Å; L176-W182 HydrophobicContact CD2-CB 4.4Å; L176-W182 HydrophobicContact CD2-CD2 4.5Å; L176-W182 HydrophobicContact CD2-CE3 4.36Å; W182-F184 HydrophobicContact CD2-CB 4.18Å; W182-F184 VanDerWaalsContact CE2-CB 3.4Å; W182-F184 HydrophobicContact CH2-CB 3.56Å; W182-F184 AromaticContact CH2-CD1 3.71Å; W182-F184 HydrophobicContact CH2-CD1 3.71Å; W182-F184 AromaticContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CZ2-CB 3.08Å; W182-F184 AromaticContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD2 4.15Å; W182-F184 AromaticContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ3-CB 4.28Å; W182-E197 PolarHBondContact NE1-OE1 3.3Å; W182-Q198 WeakPolarHBondContact CA-O 3.49Å
183	V	98.9	Very high	97.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.3	171.2	-69.7	0	0	0	0	109.3	M73 M147 Q198 V216 M218	M73-V183 HydrophobicContact CE-CB 3.86Å; M73-V183 HydrophobicContact CE-CG1 4.18Å; M73-V183 HydrophobicContact CG-CB 4.01Å; M73-V183 HydrophobicContact CG-CG1 4.27Å; M73-V183 HydrophobicContact SD-CB 4.12Å; M147-V183 CarbonylContact O-C 3.51Å; M147-V183 WeakPolarHBondContact O-CA 3.44Å; V183-Q198 HydrophobicContact CG2-CB 3.85Å; V183-Q198 PolarHBondContact N-O 2.75Å; V183-Q198 PolarHBondContact O-N 3.09Å; V183-V216 HydrophobicContact CB-CG1 4.37Å; V183-V216 HydrophobicContact CG1-CG1 3.98Å; V183-V216 HydrophobicContact CG2-CG1 3.85Å; V183-V216 HydrophobicContact CG2-CG2 4.22Å; V183-M218 HydrophobicContact CB-CE 4.41Å; V183-M218 HydrophobicContact CG2-CB 3.73Å; V183-M218 HydrophobicContact CG2-CE 4.14Å
184	F	98.9	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	138.3	-173	166.9	-110.9	0	0	0	111.1	M73 L146 M147 I165 L168 W182 G186 E197	M73-F184 WeakPolarHBondContact CE-O 3.41Å; L146-F184 CarbonylContact C-O 3.44Å; L146-F184 WeakPolarHBondContact CA-O 3.43Å; M147-F184 HydrophobicContact CB-CB 4.49Å; M147-F184 HydrophobicContact CB-CD1 4.31Å; M147-F184 HydrophobicContact CG-CD1 4.16Å; M147-F184 PolarHBondContact N-O 3.23Å; M147-F184 PolarHBondContact O-N 3.1Å; M147-F184 HydrophobicContact SD-CD1 4.37Å; I165-F184 HydrophobicContact CG2-CE1 4.43Å; L168-F184 HydrophobicContact CB-CE1 4.08Å; L168-F184 HydrophobicContact CB-CZ 4.08Å; L168-F184 WeakPolarHBondContact O-CZ 3.29Å; W182-F184 HydrophobicContact CD2-CB 4.18Å; W182-F184 VanDerWaalsContact CE2-CB 3.4Å; W182-F184 HydrophobicContact CH2-CB 3.56Å; W182-F184 AromaticContact CH2-CD1 3.71Å; W182-F184 HydrophobicContact CH2-CD1 3.71Å; W182-F184 AromaticContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CZ2-CB 3.08Å; W182-F184 AromaticContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD2 4.15Å; W182-F184 AromaticContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ3-CB 4.28Å; F184-G186 VanDerWaalsContact CZ-CA 3.42Å; F184-E197 HydrophobicContact CD2-CB 4.1Å; F184-E197 HydrophobicContact CD2-CG 4.14Å
185	C	98.9	Very high	97.5	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.1	168.4	174.9	0	0	0	0	108.3	F71 M73 V145 S194 F196 M218 I222	F71-C185 HydrophobicContact CE2-CB 4.19Å; F71-C185 HydrophobicContact CZ-CB 4.2Å; M73-C185 HydrophobicContact SD-CB 4.48Å; V145-C185 CarbonylContact O-C 3.48Å; V145-C185 WeakPolarHBondContact O-CA 3.23Å; C185-S194 WeakPolarHBondContact O-CB 3.45Å; C185-S194 PolarHBondContact O-OG 2.84Å; C185-F196 HydrophobicContact CB-CB 3.76Å; C185-F196 HydrophobicContact CB-CG 4.48Å; C185-F196 PolarHBondContact N-O 3.31Å; C185-M218 HydrophobicContact CB-CE 4.3Å; C185-I222 WeakPolarHBondContact SG-CD1 3.44Å
186	G	98.4	Very high	97.5	Very high	9 Å²	9	44.9 Å²	44.9	9%	0.093	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-164.9	178.3	0	0	0	0	0	112.4	V145 L168 F184	V145-G186 PolarHBondContact N-O 3.29Å; V145-G186 PolarHBondContact O-N 3.21Å; L168-G186 WeakPolarHBondContact O-CA 3.44Å; F184-G186 VanDerWaalsContact CZ-CA 3.42Å
187	G	97.4	Very high	97.5	Very high	15 Å²	15	45.8 Å²	45.8	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	143.1	177.4	0	0	0	0	0	112.8	T143 L168 G189 I190	T143-G187 VanDerWaalsContact O-CA 3.28Å; T143-G187 WeakPolarHBondContact O-CA 3.38Å; L168-G187 PolarHBondContact O-N 3.23Å; L168-G187 VanDerWaalsContact O-N 3.13Å; G187-G189 PolarHBondContact O-N 2.57Å; G187-I190 WeakPolarHBondContact O-CB 3.37Å; G187-I190 WeakPolarHBondContact O-CG2 3.45Å; G187-I190 PolarHBondContact O-N 3.05Å
188	K	97.3	Very high	97.5	Very high	42 Å²	42	49.5 Å²	49.5	18%	0.183	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	124.7	174.6	-169.9	74.3	174.6	-177.8	0	109.9	I139 Q140 D141 G142 T143 L168	I139-K188 HydrophobicContact CB-CD 4.44Å; I139-K188 HydrophobicContact CG2-CB 3.84Å; I139-K188 HydrophobicContact CG2-CD 4.35Å; I139-K188 HydrophobicContact CG2-CG 4.2Å; I139-K188 WeakPolarHBondContact O-CE 3.36Å; Q140-K188 WeakPolarHBondContact O-CB 3.21Å; D141-K188 WeakPolarHBondContact OD1-CG 3.37Å; G142-K188 PolarHBondContact N-O 2.9Å; T143-K188 PolarHBondContact O-N 3.38Å; L168-K188 HydrophobicContact CD2-CB 4.1Å; L168-K188 HydrophobicContact CD2-CD 3.68Å
189	G	94.3	Very high	97.5	Very high	32 Å²	32	48.7 Å²	48.7	33%	0.33	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	6	-176.5	0	0	0	0	0	114.6	G187	G187-G189 PolarHBondContact O-N 2.57Å
190	I	94.4	Very high	97.5	Very high	53 Å²	53	48.5 Å²	48.5	27%	0.272	26%	0.256	S	S	.	.			trans	-58.9	143.4	172.4	-159.1	172.2	0	0	0	110.3	L168 G187 T192	L168-I190 VanDerWaalsContact C-CG2 3.44Å; L168-I190 WeakPolarHBondContact O-CG2 3.36Å; G187-I190 WeakPolarHBondContact O-CB 3.37Å; G187-I190 WeakPolarHBondContact O-CG2 3.45Å; G187-I190 PolarHBondContact O-N 3.05Å; I190-T192 WeakPolarHBondContact CD1-O 3.24Å; I190-T192 WeakPolarHBondContact CG1-O 3.3Å
191	K	91.8	Very high	97.5	Very high	196 Å²	196	55 Å²	55	85%	0.852	28%	0.283	S	S	*	.			trans	-106.3	-4.2	179.5	-57.8	-58.6	179.5	-173.6	0	113.4
192	T	94.4	Very high	97.4	Very high	101 Å²	101	56.4 Å²	56.4	62%	0.62	29%	0.291	S	S	*	.	S	Bend	trans	-129	167.8	-177.5	61.6	0	0	0	0	109.9	I190	I190-T192 WeakPolarHBondContact CD1-O 3.24Å; I190-T192 WeakPolarHBondContact CG1-O 3.3Å
193	K	96.9	Very high	97.4	Very high	156 Å²	156	59.4 Å²	59.4	68%	0.678	31%	0.307	S	S	*	.			trans	-60.8	143.9	164.6	-64.5	170.8	170.2	-170.3	0	109.2	T171	T171-K193 HydrophobicContact CG2-CB 4.12Å; T171-K193 HydrophobicContact CG2-CD 3.52Å; T171-K193 HydrophobicContact CG2-CG 3.63Å
194	S	97.9	Very high	97.3	Very high	15 Å²	15	68.3 Å²	68.3	11%	0.105	35%	0.346	C	S	.	.			trans	-70.2	137.4	175.5	-177.5	0	0	0	0	110.1	G169 C185 F196	G169-S194 PolarHBondContact O-N 3.1Å; C185-S194 WeakPolarHBondContact O-CB 3.45Å; C185-S194 PolarHBondContact O-OG 2.84Å; S194-F196 PolarHBondContact O-N 3.13Å; S194-F196 PolarHBondContact OG-N 2.88Å
195	P	97.8	Very high	97.3	Very high	105 Å²	105	75.3 Å²	75.3	68%	0.682	38%	0.383	S	S	*	.	S	Bend	trans	-75.2	-6.6	168.5	33.4	-35.6	0	0	0	112.7
196	F	98.6	Very high	97.2	Very high	39 Å²	39	80.3 Å²	80.3	17%	0.171	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	79.6	-175.7	-53.2	-59.5	0	0	0	110.5	F71 C185 S194 M218 C221 I222	F71-F196 AromaticContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD2 4.26Å; F71-F196 HydrophobicContact CE1-CE1 4.04Å; F71-F196 HydrophobicContact CE1-CE2 4.45Å; F71-F196 AromaticContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CZ 4.36Å; F71-F196 HydrophobicContact CZ-CB 3.93Å; F71-F196 AromaticContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD2 4.46Å; F71-F196 HydrophobicContact CZ-CE1 4.35Å; F71-F196 AromaticContact CZ-CG 3.77Å; F71-F196 HydrophobicContact CZ-CG 3.77Å; C185-F196 HydrophobicContact CB-CB 3.76Å; C185-F196 HydrophobicContact CB-CG 4.48Å; C185-F196 PolarHBondContact N-O 3.31Å; S194-F196 PolarHBondContact O-N 3.13Å; S194-F196 PolarHBondContact OG-N 2.88Å; F196-M218 VanDerWaalsContact CA-SD 3.52Å; F196-M218 HydrophobicContact CB-CE 3.92Å; F196-M218 HydrophobicContact CB-SD 3.82Å; F196-M218 WeakPolarHBondContact O-CE 3.23Å; F196-C221 VanDerWaalsContact CZ-O 3.28Å; F196-C221 WeakPolarHBondContact CZ-O 3.36Å; F196-I222 HydrophobicContact CE2-CG1 4.36Å
197	E	98.8	Very high	97.2	Very high	22 Å²	22	81.3 Å²	81.3	10%	0.103	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	131.3	175	-173.4	167.6	-138.5	0	0	110.1	S170 T171 S172 W182 F184 M218	S170-E197 WeakPolarHBondContact CB-OE1 3.42Å; S170-E197 PolarHBondContact OG-OE1 3.4Å; T171-E197 PolarHBondContact N-OE1 2.9Å; T171-E197 PolarHBondContact N-OE2 3.31Å; T171-E197 PolarHBondContact OG1-OE2 2.83Å; S172-E197 WeakPolarHBondContact CB-OE1 3.35Å; S172-E197 PolarHBondContact N-OE1 2.92Å; S172-E197 PolarHBondContact N-OE2 3.02Å; W182-E197 PolarHBondContact NE1-OE1 3.3Å; F184-E197 HydrophobicContact CD2-CB 4.1Å; F184-E197 HydrophobicContact CD2-CG 4.14Å; E197-M218 PolarHBondContact N-SD 2.81Å; E197-M218 VanDerWaalsContact N-SD 3.36Å
198	Q	98.6	Very high	97.2	Very high	104 Å²	104	87 Å²	87	49%	0.486	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146	175.2	-67.3	-74.2	86	0	0	110.3	W182 V183 V216 M218	W182-Q198 WeakPolarHBondContact CA-O 3.49Å; V183-Q198 HydrophobicContact CG2-CB 3.85Å; V183-Q198 PolarHBondContact N-O 2.75Å; V183-Q198 PolarHBondContact O-N 3.09Å; Q198-V216 HydrophobicContact CB-CG2 3.53Å; Q198-M218 HydrophobicContact CG-CB 4.29Å; Q198-M218 HydrophobicContact CG-CG 4.37Å; Q198-M218 HydrophobicContact CG-SD 4.05Å
199	H	98.3	Very high	97.2	Very high	67 Å²	67	88.9 Å²	88.9	31%	0.31	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.8	-176	163	-105.1	0	0	0	110.8	D180 N181	D180-H199 VanDerWaalsContact CB-NE2 3.34Å; D180-H199 WeakPolarHBondContact CB-NE2 3.45Å; D180-H199 IonicContact OD2-CD2 3.92Å; D180-H199 IonicContact OD2-CE1 3.59Å; D180-H199 IonicContact OD2-NE2 2.81Å; D180-H199 PolarHBondContact OD2-NE2 3.13Å; N181-H199 CarbonylContact O-C 3.54Å; N181-H199 VanDerWaalsContact O-CA 3.26Å; N181-H199 WeakPolarHBondContact O-CA 3.47Å; N181-H199 PolarHBondContact O-CD2 3.36Å
200	I	98.6	Very high	97.3	Very high	51 Å²	51	96.3 Å²	96.3	26%	0.262	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118	168.4	-58.5	176.6	0	0	0	107.6	N181 P213 E214 V216	N181-I200 PolarHBondContact N-O 2.94Å; N181-I200 PolarHBondContact O-N 3.22Å; I200-P213 HydrophobicContact CB-CB 4.26Å; I200-P213 HydrophobicContact CG2-CB 3.61Å; I200-E214 HydrophobicContact CD1-CG 3.71Å; I200-V216 HydrophobicContact CD1-CB 3.86Å; I200-V216 HydrophobicContact CD1-CG2 4.21Å; I200-V216 HydrophobicContact CG1-CB 3.98Å; I200-V216 HydrophobicContact CG1-CG2 4.12Å
201	K	98.6	Very high	97.4	Very high	142 Å²	142	95 Å²	95	62%	0.617	47%	0.47	S	S	*	.			trans	-68.4	138	178.8	-166.9	175.8	179.5	177.7	0	110.8	D180 N203	D180-K201 WeakPolarHBondContact OD1-CA 3.29Å; D180-K201 WeakPolarHBondContact OD1-CG 3.41Å; K201-N203 PolarHBondContact O-N 2.91Å
202	N	98.5	Very high	97.7	Very high	34 Å²	34	87.4 Å²	87.4	18%	0.182	44%	0.435	C	S	.	.			trans	-64.7	114.8	166.1	176.7	16.6	0	0	0	109.6	F178 R179 D180 N207	F178-N202 VanDerWaalsContact O-CB 3.28Å; F178-N202 WeakPolarHBondContact O-CB 3.48Å; F178-N202 PolarHBondContact O-ND2 2.83Å; R179-N202 HydrophobicContact CB-CB 4.29Å; D180-N202 PolarHBondContact OD1-N 2.95Å; N202-N207 PolarHBondContact OD1-ND2 3.01Å
203	N	98.3	Very high	97.9	Very high	62 Å²	62	82.7 Å²	82.7	33%	0.332	41%	0.407	S	S	.	.			trans	-141.8	119.3	178.1	178.5	0	0	0	0	109.8	K201 D205 T206 N207	K201-N203 PolarHBondContact O-N 2.91Å; N203-D205 PolarHBondContact O-N 3.4Å; N203-D205 PolarHBondContact OD1-N 3.02Å; N203-D205 VanDerWaalsContact OD1-N 3.1Å; N203-T206 WeakPolarHBondContact CB-OG1 3.45Å; N203-T206 PolarHBondContact O-N 3.05Å; N203-N207 VanDerWaalsContact C-CG 3.5Å; N203-N207 PolarHBondContact N-OD1 2.92Å; N203-N207 WeakPolarHBondContact O-CB 3.39Å; N203-N207 PolarHBondContact O-N 2.89Å; N203-N207 PolarHBondContact O-ND2 3.13Å; N203-N207 PolarHBondContact O-OD1 3.42Å; N203-N207 VanDerWaalsContact O-OD1 3.05Å
204	K	96.9	Very high	97.9	Very high	187 Å²	187	79.5 Å²	79.5	81%	0.813	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.4	-177.4	-67.1	-174.9	179.1	-178.3	0	113.3
205	D	97.8	Very high	98	Very high	148 Å²	148	80.7 Å²	80.7	79%	0.791	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.7	-176.5	-55.7	-32.8	0	0	0	113.1	N203	N203-D205 PolarHBondContact O-N 3.4Å; N203-D205 PolarHBondContact OD1-N 3.02Å; N203-D205 VanDerWaalsContact OD1-N 3.1Å
206	T	97.8	Very high	98	Very high	106 Å²	106	76 Å²	76	65%	0.65	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-1.3	-173.6	65	0	0	0	0	113.8	N203	N203-T206 WeakPolarHBondContact CB-OG1 3.45Å; N203-T206 PolarHBondContact O-N 3.05Å
207	N	98	Very high	98	Very high	30 Å²	30	80 Å²	80	16%	0.16	39%	0.389	C	S	.	.			trans	-65	136.9	-178.3	-82.1	-15.3	0	0	0	111.6	N202 N203 Y209 W212 P213	N202-N207 PolarHBondContact OD1-ND2 3.01Å; N203-N207 VanDerWaalsContact C-CG 3.5Å; N203-N207 PolarHBondContact N-OD1 2.92Å; N203-N207 WeakPolarHBondContact O-CB 3.39Å; N203-N207 PolarHBondContact O-N 2.89Å; N203-N207 PolarHBondContact O-ND2 3.13Å; N203-N207 PolarHBondContact O-OD1 3.42Å; N203-N207 VanDerWaalsContact O-OD1 3.05Å; N207-Y209 WeakPolarHBondContact CB-O 3.12Å; N207-W212 WeakPolarHBondContact CB-O 3.38Å; N207-P213 WeakPolarHBondContact OD1-CA 3.32Å
208	K	97.8	Very high	98	Very high	136 Å²	136	79.8 Å²	79.8	59%	0.591	39%	0.389	S	S	*	.	S	Bend	trans	-78.1	-32.9	174.7	-178.4	174	-166.4	155.1	0	113	E214	K208-E214 HydrophobicContact CB-CB 3.69Å; K208-E214 HydrophobicContact CD-CB 3.4Å; K208-E214 VanDerWaalsContact CD-CB 3.4Å; K208-E214 HydrophobicContact CG-CB 4.22Å; K208-E214 IonicContact NZ-OE2 3.2Å; K208-E214 PolarHBondContact NZ-OE2 3.41Å
209	Y	97.1	Very high	98	Very high	80 Å²	80	78 Å²	78	31%	0.314	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-108.6	159.2	176.6	-49.7	-67	0	0	0	109.8	A77 A78 N207 G211 W212 P213	A77-Y209 HydrophobicContact CB-CE2 4.04Å; A78-Y209 HydrophobicContact CB-CD2 4.34Å; A78-Y209 HydrophobicContact CB-CG 4.41Å; N207-Y209 WeakPolarHBondContact CB-O 3.12Å; Y209-G211 PolarHBondContact O-N 2.91Å; Y209-W212 HydrophobicContact CD2-CB 4.3Å; Y209-W212 PolarHBondContact N-O 3.29Å; Y209-W212 VanDerWaalsContact N-O 3.12Å; Y209-W212 PolarHBondContact O-N 3.23Å; Y209-W212 VanDerWaalsContact O-O 3.12Å; Y209-P213 WeakPolarHBondContact CD2-O 3.4Å; Y209-P213 WeakPolarHBondContact CE2-O 3.44Å
210	E	96	Very high	98	Very high	189 Å²	189	75.5 Å²	75.5	88%	0.883	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	91.6	178.7	-170.6	-179.8	176.4	0	0	111.3	W212	E210-W212 WeakPolarHBondContact O-CZ3 3.11Å
211	G	96.4	Very high	98	Very high	25 Å²	25	74.2 Å²	74.2	26%	0.258	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	12.1	-179.7	0	0	0	0	0	115.7	R179 Y209	R179-G211 WeakPolarHBondContact CD-O 3.46Å; R179-G211 PolarHBondContact NH1-O 3.37Å; Y209-G211 PolarHBondContact O-N 2.91Å
212	W	98.4	Very high	97.9	Very high	36 Å²	36	68.1 Å²	68.1	14%	0.136	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-138.4	144.5	170.1	-68.1	-101.5	0	0	0	111.7	A78 N79 D151 R179 N207 Y209 E210	A78-W212 HydrophobicContact CB-CB 3.97Å; A78-W212 HydrophobicContact CB-CD2 3.7Å; A78-W212 HydrophobicContact CB-CE3 3.98Å; A78-W212 HydrophobicContact CB-CG 3.73Å; N79-W212 HydrophobicContact CB-CZ2 4.38Å; D151-W212 PolarHBondContact O-NE1 3.21Å; D151-W212 WeakPolarHBondContact OD1-CZ2 3.46Å; D151-W212 PolarHBondContact OD1-NE1 2.93Å; R179-W212 VanDerWaalsContact CZ-CH2 3.42Å; R179-W212 VanDerWaalsContact NH1-CH2 3.31Å; R179-W212 VanDerWaalsContact NH2-CH2 3.3Å; N207-W212 WeakPolarHBondContact CB-O 3.38Å; Y209-W212 HydrophobicContact CD2-CB 4.3Å; Y209-W212 PolarHBondContact N-O 3.29Å; Y209-W212 VanDerWaalsContact N-O 3.12Å; Y209-W212 PolarHBondContact O-N 3.23Å; Y209-W212 VanDerWaalsContact O-O 3.12Å; E210-W212 WeakPolarHBondContact O-CZ3 3.11Å
213	P	98.4	Very high	97.9	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.013	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68.5	169.4	172.4	30.6	-35.2	0	0	0	111.7	R179 N181 I200 N207 Y209	R179-P213 WeakPolarHBondContact O-CD 3.34Å; R179-P213 VanDerWaalsContact O-CG 3.28Å; R179-P213 WeakPolarHBondContact O-CG 3.43Å; N181-P213 HydrophobicContact CB-CG 3.95Å; I200-P213 HydrophobicContact CB-CB 4.26Å; I200-P213 HydrophobicContact CG2-CB 3.61Å; N207-P213 WeakPolarHBondContact OD1-CA 3.32Å; Y209-P213 WeakPolarHBondContact CD2-O 3.4Å; Y209-P213 WeakPolarHBondContact CE2-O 3.44Å
214	E	98.4	Very high	97.8	Very high	89 Å²	89	70.6 Å²	70.6	42%	0.416	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-68.7	166	173.6	73.2	-179.3	153.2	0	0	113.2	N181 I200 K208 V216	N181-E214 PolarHBondContact ND2-O 2.75Å; I200-E214 HydrophobicContact CD1-CG 3.71Å; K208-E214 HydrophobicContact CB-CB 3.69Å; K208-E214 HydrophobicContact CD-CB 3.4Å; K208-E214 VanDerWaalsContact CD-CB 3.4Å; K208-E214 HydrophobicContact CG-CB 4.22Å; K208-E214 IonicContact NZ-OE2 3.2Å; K208-E214 PolarHBondContact NZ-OE2 3.41Å; E214-V216 PolarHBondContact O-N 3.2Å
215	V	98.6	Very high	97.5	Very high	40 Å²	40	66.5 Å²	66.5	24%	0.242	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.8	124.6	174.4	177.4	0	0	0	0	109.1	A74 S75 A77 E217	A74-V215 HydrophobicContact CB-CG1 3.95Å; S75-V215 WeakPolarHBondContact O-CG1 3.49Å; A77-V215 HydrophobicContact CB-CG2 3.57Å; V215-E217 HydrophobicContact CG1-CG 4.04Å
216	V	98.3	Very high	96.8	Very high	8 Å²	8	64 Å²	64	5%	0.048	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-88.3	132.9	165	70.8	0	0	0	0	110	A74 S75 N181 V183 Q198 I200 E214	A74-V216 WeakPolarHBondContact CA-O 3.26Å; S75-V216 PolarHBondContact N-O 2.81Å; S75-V216 WeakPolarHBondContact OG-CG1 3.46Å; S75-V216 PolarHBondContact OG-N 3.12Å; S75-V216 PolarHBondContact OG-O 2.76Å; N181-V216 HydrophobicContact CB-CG1 4.09Å; V183-V216 HydrophobicContact CB-CG1 4.37Å; V183-V216 HydrophobicContact CG1-CG1 3.98Å; V183-V216 HydrophobicContact CG2-CG1 3.85Å; V183-V216 HydrophobicContact CG2-CG2 4.22Å; Q198-V216 HydrophobicContact CB-CG2 3.53Å; I200-V216 HydrophobicContact CD1-CB 3.86Å; I200-V216 HydrophobicContact CD1-CG2 4.21Å; I200-V216 HydrophobicContact CG1-CB 3.98Å; I200-V216 HydrophobicContact CG1-CG2 4.12Å; E214-V216 PolarHBondContact O-N 3.2Å
217	E	98.4	Very high	95.5	Very high	121 Å²	121	68.7 Å²	68.7	57%	0.565	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.5	177.1	-60.3	-164.7	134.1	0	0	110.8	M73 A74 V215	M73-E217 WeakPolarHBondContact O-CA 3.11Å; A74-E217 HydrophobicContact CB-CG 3.91Å; V215-E217 HydrophobicContact CG1-CG 4.04Å
218	M	98.6	Very high	95.3	Very high	19 Å²	19	70.6 Å²	70.6	9%	0.094	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.7	175.6	-178.8	171.1	62.2	0	0	109.7	F71 K72 M73 V183 C185 F196 E197 Q198	F71-M218 HydrophobicContact CE2-CE 3.91Å; F71-M218 HydrophobicContact CE2-CG 4.02Å; F71-M218 HydrophobicContact CZ-CE 4.22Å; F71-M218 HydrophobicContact CZ-CG 4.11Å; F71-M218 HydrophobicContact CZ-SD 4.45Å; K72-M218 WeakPolarHBondContact CA-O 3.13Å; M73-M218 HydrophobicContact CG-CB 4.22Å; M73-M218 HydrophobicContact CG-CE 4.25Å; M73-M218 PolarHBondContact N-O 2.85Å; M73-M218 PolarHBondContact O-N 3.22Å; M73-M218 HydrophobicContact SD-CE 3.58Å; M73-M218 VanDerWaalsContact SD-CE 3.58Å; V183-M218 HydrophobicContact CB-CE 4.41Å; V183-M218 HydrophobicContact CG2-CB 3.73Å; V183-M218 HydrophobicContact CG2-CE 4.14Å; C185-M218 HydrophobicContact CB-CE 4.3Å; F196-M218 VanDerWaalsContact CA-SD 3.52Å; F196-M218 HydrophobicContact CB-CE 3.92Å; F196-M218 HydrophobicContact CB-SD 3.82Å; F196-M218 WeakPolarHBondContact O-CE 3.23Å; E197-M218 PolarHBondContact N-SD 2.81Å; E197-M218 VanDerWaalsContact N-SD 3.36Å; Q198-M218 HydrophobicContact CG-CB 4.29Å; Q198-M218 HydrophobicContact CG-CG 4.37Å; Q198-M218 HydrophobicContact CG-SD 4.05Å
219	E	98.4	Very high	95.2	Very high	65 Å²	65	67.2 Å²	67.2	30%	0.304	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.6	171.9	59.5	179.3	-129.4	0	0	110.1	I60 S61 F71 K72	I60-E219 HydrophobicContact CG2-CB 3.88Å; S61-E219 VanDerWaalsContact CB-OE1 3.3Å; S61-E219 WeakPolarHBondContact CB-OE1 3.22Å; S61-E219 PolarHBondContact N-OE1 3.49Å; S61-E219 PolarHBondContact OG-OE1 2.8Å; F71-E219 WeakPolarHBondContact O-CA 3.49Å; K72-E219 HydrophobicContact CB-CB 4.21Å; K72-E219 HydrophobicContact CD-CB 4.46Å; K72-E219 WeakPolarHBondContact CE-OE2 3.41Å; K72-E219 HydrophobicContact CG-CB 4.1Å; K72-E219 IonicContact NZ-OE2 3.47Å; K72-E219 PolarHBondContact NZ-OE2 3.38Å
220	G	98.2	Very high	95.1	Very high	15 Å²	15	66.4 Å²	66.4	16%	0.155	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-169.5	-179.8	0	0	0	0	0	114	F71	F71-G220 VanDerWaalsContact CD1-C 3.45Å; F71-G220 VanDerWaalsContact CD1-O 3.26Å; F71-G220 WeakPolarHBondContact CD1-O 3.28Å; F71-G220 VanDerWaalsContact CE1-C 3.42Å; F71-G220 PolarHBondContact N-O 3.48Å; F71-G220 PolarHBondContact O-N 3.3Å; F71-G220 VanDerWaalsContact O-N 3.08Å
221	C	98.4	Very high	95.1	Very high	24 Å²	24	59.2 Å²	59.2	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.3	-176.3	-58.3	0	0	0	0	108.9	C64 H68 F69 F196	C64-C221 WeakPolarHBondContact CA-SG 3.37Å; C64-C221 HydrophobicContact CB-CB 3.75Å; C64-C221 WeakPolarHBondContact CB-SG 3.38Å; C64-C221 VanDerWaalsContact SG-CA 3.57Å; C64-C221 WeakPolarHBondContact SG-CB 3.28Å; C64-C221 CovalentContact SG-SG 2.04Å; C64-C221 PolarHBondContact SG-SG 3.12Å; H68-C221 HydrophobicContact CB-CB 3.97Å; F69-C221 CarbonylContact O-C 3.56Å; F69-C221 WeakPolarHBondContact O-CA 3.1Å; F196-C221 VanDerWaalsContact CZ-O 3.28Å; F196-C221 WeakPolarHBondContact CZ-O 3.36Å
222	I	98.1	Very high	95	Very high	15 Å²	15	61.4 Å²	61.4	8%	0.077	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.5	-178.5	-55.3	162.6	0	0	0	108.4	H68 F69 F71 L87 I144 C185 F196 Q224	H68-I222 CarbonylContact C-O 3.58Å; H68-I222 WeakPolarHBondContact CA-O 3.5Å; F69-I222 HydrophobicContact CB-CB 4.4Å; F69-I222 PolarHBondContact N-O 3.02Å; F69-I222 PolarHBondContact O-N 3.05Å; F71-I222 HydrophobicContact CB-CD1 4.24Å; F71-I222 HydrophobicContact CD1-CD1 3.79Å; F71-I222 HydrophobicContact CD1-CG1 3.57Å; F71-I222 HydrophobicContact CE1-CD1 4.44Å; F71-I222 HydrophobicContact CE1-CG1 3.9Å; F71-I222 HydrophobicContact CG-CD1 4.16Å; F71-I222 HydrophobicContact CG-CG1 4.43Å; L87-I222 HydrophobicContact CD1-CD1 3.96Å; I144-I222 HydrophobicContact CD1-CD1 4.38Å; I144-I222 HydrophobicContact CD1-CG2 4.06Å; I144-I222 HydrophobicContact CG1-CG2 4.34Å; I144-I222 HydrophobicContact CG2-CD1 3.86Å; C185-I222 WeakPolarHBondContact SG-CD1 3.44Å; F196-I222 HydrophobicContact CE2-CG1 4.36Å; I222-Q224 PolarHBondContact O-N 3.27Å
223	P	96.9	Very high	94.7	Very high	83 Å²	83	63.1 Å²	63.1	54%	0.539	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	128.9	174.5	-22	32.8	0	0	0	111.4	K225	P223-K225 PolarHBondContact O-N 3.05Å
224	Q	96.2	Very high	94.5	Very high	64 Å²	64	67.4 Å²	67.4	30%	0.299	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-69.7	128.2	175.9	-178.4	-175.5	30.8	0	0	109.7	K67 F69 K112 I222 Q226	K67-Q224 HydrophobicContact CB-CB 4.32Å; K67-Q224 WeakPolarHBondContact O-CB 3.34Å; K67-Q224 PolarHBondContact O-N 2.78Å; F69-Q224 HydrophobicContact CE2-CB 3.95Å; F69-Q224 HydrophobicContact CE2-CG 3.86Å; F69-Q224 HydrophobicContact CZ-CB 4.18Å; F69-Q224 HydrophobicContact CZ-CG 3.73Å; K112-Q224 PolarHBondContact O-NE2 2.76Å; I222-Q224 PolarHBondContact O-N 3.27Å; Q224-Q226 PolarHBondContact O-N 3.02Å; Q224-Q226 PolarHBondContact O-NE2 2.88Å
225	K	90.8	Very high	94.2	Very high	102 Å²	102	65.8 Å²	65.8	44%	0.443	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-63.1	124	175.7	-169.4	175.4	-178.9	-179.9	0	109.2	G111 K112 P223	G111-K225 WeakPolarHBondContact O-CB 3.26Å; G111-K225 PolarHBondContact O-N 3.24Å; K112-K225 HydrophobicContact CG-CB 4.27Å; P223-K225 PolarHBondContact O-N 3.05Å
226	Q	84.3	Confident	93.8	Very high	95 Å²	95	67.9 Å²	67.9	44%	0.444	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-94.4	162.7	169.9	-53.6	-64.1	-59.8	0	0	109.1	Q224	Q224-Q226 PolarHBondContact O-N 3.02Å; Q224-Q226 PolarHBondContact O-NE2 2.88Å
227	D	68.9	Low	93.4	Very high	204 Å²	204	73.4 Å²	73.4	100%	1.091	38%	0.379	S	S	*	.			trans	-63	0	172.5	-68.5	-37.5	0	0	0	112.5	K112	K112-D227 WeakPolarHBondContact CE-OD1 3.45Å; K112-D227 IonicContact NZ-OD1 3.73Å; K112-D227 PolarHBondContact NZ-OD1 3.1Å

Retrieved 227 of 227 residues in 63.9 ms (Link to these results)

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