A0A087XR76_POEFO Loading...

Glycerophosphodiester phosphodiesterase domain containing 3a

AlphaFold DB , UniProt , Accession A0A087XR76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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	59.4	Low	74.7	Confident	198 Å²	198	101.4 Å²	101.4	98%	0.975	59%	0.585	S	S	*	*				0	-44.4	0	-86	168.6	70	0	0	113.8	V3 F4 L5	M1-V3 PolarHBondContact O-N 3.42Å; M1-F4 PolarHBondContact O-N 3.18Å; M1-L5 WeakPolarHBondContact O-CD1 3.45Å; M1-L5 PolarHBondContact O-N 3.38Å
2	S	68.2	Low	76	Confident	102 Å²	102	100.8 Å²	100.8	71%	0.713	58%	0.577	S	S	*	*	H	α-helix	trans	-61	-42.5	-176.1	-177.4	0	0	0	0	115.5	F4 S6	S2-F4 PolarHBondContact O-N 3.34Å; S2-S6 PolarHBondContact O-N 2.72Å; S2-S6 VanDerWaalsContact O-N 3.16Å; S2-S6 PolarHBondContact O-OG 3.5Å
3	V	66.7	Low	77.3	Confident	112 Å²	112	95.5 Å²	95.5	68%	0.679	56%	0.559	S	S	*	*	H	α-helix	trans	-69.6	-32.6	179.4	-177.7	0	0	0	0	112.4	M1 S6 S7	M1-V3 PolarHBondContact O-N 3.42Å; V3-S6 WeakPolarHBondContact CA-OG 3.47Å; V3-S6 PolarHBondContact O-OG 2.92Å; V3-S6 VanDerWaalsContact O-OG 3.07Å; V3-S7 WeakPolarHBondContact O-CB 3.48Å; V3-S7 PolarHBondContact O-N 2.76Å; V3-S7 VanDerWaalsContact O-N 3.14Å; V3-S7 PolarHBondContact O-OG 2.84Å
4	F	68.1	Low	78.6	Confident	146 Å²	146	96.1 Å²	96.1	64%	0.64	56%	0.558	S	S	*	*	H	α-helix	trans	-71	-44.7	178.1	-172.4	-96.6	0	0	0	111.6	M1 S2 S6 S7 V8	M1-F4 PolarHBondContact O-N 3.18Å; S2-F4 PolarHBondContact O-N 3.34Å; F4-S6 PolarHBondContact O-N 3.44Å; F4-S7 PolarHBondContact O-N 2.64Å; F4-V8 HydrophobicContact CD1-CG2 4.33Å; F4-V8 HydrophobicContact CD2-CG2 4.25Å; F4-V8 HydrophobicContact CE1-CG2 4.09Å; F4-V8 HydrophobicContact CE2-CG2 4.01Å; F4-V8 HydrophobicContact CG-CG2 4.41Å; F4-V8 HydrophobicContact CZ-CG2 3.93Å; F4-V8 WeakPolarHBondContact O-CB 3.44Å; F4-V8 WeakPolarHBondContact O-CG2 3.36Å; F4-V8 PolarHBondContact O-N 3.13Å
5	L	66	Low	79.8	Confident	90 Å²	90	94.5 Å²	94.5	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175.9	-95.5	82.8	0	0	0	111.9	M1 S7 L9	M1-L5 WeakPolarHBondContact O-CD1 3.45Å; M1-L5 PolarHBondContact O-N 3.38Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 2.71Å; L5-L9 HydrophobicContact CB-CD1 4.06Å; L5-L9 HydrophobicContact CD2-CD1 4.17Å; L5-L9 HydrophobicContact CG-CD1 4.19Å; L5-L9 VanDerWaalsContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CD1 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 2.81Å; L5-L9 VanDerWaalsContact O-N 3.1Å
6	S	73.1	Confident	80.7	Confident	73 Å²	73	92.5 Å²	92.5	51%	0.51	53%	0.529	S	S	.	.	H	α-helix	trans	-68.3	-26.7	179.8	46.2	0	0	0	0	113.8	S2 V3 F4 P10	S2-S6 PolarHBondContact O-N 2.72Å; S2-S6 VanDerWaalsContact O-N 3.16Å; S2-S6 PolarHBondContact O-OG 3.5Å; V3-S6 WeakPolarHBondContact CA-OG 3.47Å; V3-S6 PolarHBondContact O-OG 2.92Å; V3-S6 VanDerWaalsContact O-OG 3.07Å; F4-S6 PolarHBondContact O-N 3.44Å; S6-P10 WeakPolarHBondContact O-CD 3.43Å; S6-P10 VanDerWaalsContact O-CG 3.31Å; S6-P10 WeakPolarHBondContact O-CG 3.36Å
7	S	78.6	Confident	81.7	Confident	73 Å²	73	94.2 Å²	94.2	51%	0.51	54%	0.536	S	S	.	.	H	α-helix	trans	-88	-30	179.4	-53.1	0	0	0	0	113.5	V3 F4 L5 P11	V3-S7 WeakPolarHBondContact O-CB 3.48Å; V3-S7 PolarHBondContact O-N 2.76Å; V3-S7 VanDerWaalsContact O-N 3.14Å; V3-S7 PolarHBondContact O-OG 2.84Å; F4-S7 PolarHBondContact O-N 2.64Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 2.71Å; S7-P11 WeakPolarHBondContact O-CD 3.37Å; S7-P11 WeakPolarHBondContact O-CG 3.3Å
8	V	80.2	Confident	82.6	Confident	64 Å²	64	93.1 Å²	93.1	39%	0.388	53%	0.527	S	S	.	.	H	α-helix	trans	-95.3	-34.6	-174	176	0	0	0	0	112.9	F4 P11 L12	F4-V8 HydrophobicContact CD1-CG2 4.33Å; F4-V8 HydrophobicContact CD2-CG2 4.25Å; F4-V8 HydrophobicContact CE1-CG2 4.09Å; F4-V8 HydrophobicContact CE2-CG2 4.01Å; F4-V8 HydrophobicContact CG-CG2 4.41Å; F4-V8 HydrophobicContact CZ-CG2 3.93Å; F4-V8 WeakPolarHBondContact O-CB 3.44Å; F4-V8 WeakPolarHBondContact O-CG2 3.36Å; F4-V8 PolarHBondContact O-N 3.13Å; V8-P11 WeakPolarHBondContact O-CD 3.37Å; V8-L12 WeakPolarHBondContact O-CB 3.13Å; V8-L12 PolarHBondContact O-N 2.67Å
9	L	82.3	Confident	83.4	Confident	101 Å²	101	88.6 Å²	88.6	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-42.8	-177.1	-72.1	169.1	0	0	0	113.6	L5 L12 G13	L5-L9 HydrophobicContact CB-CD1 4.06Å; L5-L9 HydrophobicContact CD2-CD1 4.17Å; L5-L9 HydrophobicContact CG-CD1 4.19Å; L5-L9 VanDerWaalsContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CD1 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 2.81Å; L5-L9 VanDerWaalsContact O-N 3.1Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-G13 PolarHBondContact O-N 3.48Å
10	P	88.8	Confident	84.1	Confident	80 Å²	80	92.1 Å²	92.1	52%	0.519	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-46.3	-179.3	-17.5	29.4	0	0	0	113.6	S6 L12 G13 L14	S6-P10 WeakPolarHBondContact O-CD 3.43Å; S6-P10 VanDerWaalsContact O-CG 3.31Å; S6-P10 WeakPolarHBondContact O-CG 3.36Å; P10-L12 VanDerWaalsContact C-N 3.35Å; P10-L12 PolarHBondContact O-N 3.22Å; P10-G13 PolarHBondContact O-N 3.22Å; P10-L14 WeakPolarHBondContact O-CB 3.38Å; P10-L14 PolarHBondContact O-N 2.89Å
11	P	90	Very high	84.8	Confident	76 Å²	76	93.5 Å²	93.5	49%	0.494	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-40.1	174	-25.4	35.1	0	0	0	113.3	S7 V8 L14 Y15	S7-P11 WeakPolarHBondContact O-CD 3.37Å; S7-P11 WeakPolarHBondContact O-CG 3.3Å; V8-P11 WeakPolarHBondContact O-CD 3.37Å; P11-L14 PolarHBondContact O-N 3.06Å; P11-Y15 WeakPolarHBondContact O-CB 3.41Å; P11-Y15 PolarHBondContact O-N 3.49Å
12	L	90.5	Very high	86.6	Confident	94 Å²	94	84.8 Å²	84.8	49%	0.492	46%	0.463	S	S	.	.	H	α-helix	trans	-67.4	-38.6	178	-174.8	64.1	0	0	0	112	V8 L9 P10 Y15 T16	V8-L12 WeakPolarHBondContact O-CB 3.13Å; V8-L12 PolarHBondContact O-N 2.67Å; L9-L12 PolarHBondContact O-N 2.98Å; P10-L12 VanDerWaalsContact C-N 3.35Å; P10-L12 PolarHBondContact O-N 3.22Å; L12-Y15 HydrophobicContact CD1-CD1 4.31Å; L12-T16 WeakPolarHBondContact O-CB 3.39Å; L12-T16 PolarHBondContact O-N 3.17Å; L12-T16 PolarHBondContact O-OG1 3.18Å
13	G	92.6	Very high	88.1	Confident	33 Å²	33	81.3 Å²	81.3	34%	0.34	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-48.9	173	0	0	0	0	0	111.6	L9 P10 T16 L17	L9-G13 PolarHBondContact O-N 3.48Å; P10-G13 PolarHBondContact O-N 3.22Å; G13-T16 PolarHBondContact O-N 2.77Å; G13-L17 WeakPolarHBondContact O-CG 3.2Å; G13-L17 PolarHBondContact O-N 3.37Å
14	L	95.3	Very high	89.5	Confident	104 Å²	104	82.4 Å²	82.4	55%	0.545	43%	0.432	S	S	.	.	H	α-helix	trans	-60.3	-47.4	176.5	-178.2	59.9	0	0	0	111.6	P10 P11 T16 L17 I18	P10-L14 WeakPolarHBondContact O-CB 3.38Å; P10-L14 PolarHBondContact O-N 2.89Å; P11-L14 PolarHBondContact O-N 3.06Å; L14-T16 VanDerWaalsContact C-N 3.31Å; L14-T16 PolarHBondContact O-N 3.39Å; L14-L17 PolarHBondContact O-N 3.24Å; L14-I18 HydrophobicContact CD1-CD1 3.83Å; L14-I18 HydrophobicContact CD1-CG1 4.14Å; L14-I18 HydrophobicContact CD2-CD1 4.49Å; L14-I18 HydrophobicContact CG-CD1 3.79Å; L14-I18 HydrophobicContact CG-CG1 4.45Å; L14-I18 WeakPolarHBondContact O-CG1 3.33Å; L14-I18 PolarHBondContact O-N 3.27Å
15	Y	96.4	Very high	91	Very high	71 Å²	71	78.3 Å²	78.3	28%	0.278	42%	0.417	S	S	.	.	H	α-helix	trans	-54.3	-48.2	174.4	166.6	-101.8	0	0	0	111.6	P11 L12 L17 I18 S19 T214 G215 L216 F219	P11-Y15 WeakPolarHBondContact O-CB 3.41Å; P11-Y15 PolarHBondContact O-N 3.49Å; L12-Y15 HydrophobicContact CD1-CD1 4.31Å; Y15-L17 VanDerWaalsContact C-N 3.33Å; Y15-L17 PolarHBondContact O-N 2.95Å; Y15-I18 PolarHBondContact O-N 3.18Å; Y15-S19 WeakPolarHBondContact O-CB 2.92Å; Y15-S19 PolarHBondContact O-N 3.01Å; Y15-T214 PolarHBondContact OH-O 3.35Å; Y15-G215 WeakPolarHBondContact OH-CA 3.23Å; Y15-G215 PolarHBondContact OH-O 3.4Å; Y15-L216 HydrophobicContact CE2-CD2 4.28Å; Y15-L216 WeakPolarHBondContact OH-CD2 3.41Å; Y15-L216 PolarHBondContact OH-N 3.46Å; Y15-F219 HydrophobicContact CE2-CE2 4.09Å
16	T	95.4	Very high	92.5	Very high	63 Å²	63	74.1 Å²	74.1	39%	0.387	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-41.2	-178.6	-57.9	0	0	0	0	111.4	L12 G13 L14 R20	L12-T16 WeakPolarHBondContact O-CB 3.39Å; L12-T16 PolarHBondContact O-N 3.17Å; L12-T16 PolarHBondContact O-OG1 3.18Å; G13-T16 PolarHBondContact O-N 2.77Å; L14-T16 VanDerWaalsContact C-N 3.31Å; L14-T16 PolarHBondContact O-N 3.39Å; T16-R20 WeakPolarHBondContact O-CB 3.32Å; T16-R20 WeakPolarHBondContact O-CG 3.45Å; T16-R20 PolarHBondContact O-N 3.47Å
17	L	97.3	Very high	93.6	Very high	121 Å²	121	75.7 Å²	75.7	63%	0.634	39%	0.394	S	S	*	.	H	α-helix	trans	-64.8	-48.8	176.8	-69.9	173.6	0	0	0	111.6	G13 L14 Y15 R20 Y21	G13-L17 WeakPolarHBondContact O-CG 3.2Å; G13-L17 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 3.24Å; Y15-L17 VanDerWaalsContact C-N 3.33Å; Y15-L17 PolarHBondContact O-N 2.95Å; L17-R20 PolarHBondContact O-N 3.48Å; L17-Y21 WeakPolarHBondContact O-CB 3.37Å; L17-Y21 PolarHBondContact O-N 2.95Å
18	I	97.9	Very high	94.5	Very high	74 Å²	74	78.1 Å²	78.1	38%	0.379	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-48.8	179.1	-66.6	172.2	0	0	0	110.5	L14 Y15 R20 Y21 L22 F219	L14-I18 HydrophobicContact CD1-CD1 3.83Å; L14-I18 HydrophobicContact CD1-CG1 4.14Å; L14-I18 HydrophobicContact CD2-CD1 4.49Å; L14-I18 HydrophobicContact CG-CD1 3.79Å; L14-I18 HydrophobicContact CG-CG1 4.45Å; L14-I18 WeakPolarHBondContact O-CG1 3.33Å; L14-I18 PolarHBondContact O-N 3.27Å; Y15-I18 PolarHBondContact O-N 3.18Å; I18-R20 PolarHBondContact O-N 3.43Å; I18-Y21 PolarHBondContact O-N 3.11Å; I18-L22 HydrophobicContact CG2-CD1 3.66Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CB 3.5Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 3.28Å; I18-F219 HydrophobicContact CG2-CE1 4.24Å; I18-F219 HydrophobicContact CG2-CZ 3.99Å
19	S	98.1	Very high	95.3	Very high	8 Å²	8	79.5 Å²	79.5	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-55.6	-49.6	177.3	172	0	0	0	0	111.2	Y15 Y21 L22 L23 G215 P218	Y15-S19 WeakPolarHBondContact O-CB 2.92Å; Y15-S19 PolarHBondContact O-N 3.01Å; S19-Y21 VanDerWaalsContact C-N 3.35Å; S19-Y21 PolarHBondContact O-N 2.94Å; S19-L22 PolarHBondContact O-N 2.99Å; S19-L23 VanDerWaalsContact O-CB 3.3Å; S19-L23 WeakPolarHBondContact O-CB 3.41Å; S19-L23 PolarHBondContact O-N 3.26Å; S19-G215 WeakPolarHBondContact CB-O 3.46Å; S19-G215 VanDerWaalsContact OG-C 3.29Å; S19-G215 WeakPolarHBondContact OG-CA 3.39Å; S19-G215 PolarHBondContact OG-O 3.27Å; S19-P218 WeakPolarHBondContact O-CG 3.48Å
20	R	97.3	Very high	96	Very high	159 Å²	159	76 Å²	76	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-64.5	-38	178.8	-72.2	175	74.3	91.7	-2.4	112.7	T16 L17 I18 K24	T16-R20 WeakPolarHBondContact O-CB 3.32Å; T16-R20 WeakPolarHBondContact O-CG 3.45Å; T16-R20 PolarHBondContact O-N 3.47Å; L17-R20 PolarHBondContact O-N 3.48Å; I18-R20 PolarHBondContact O-N 3.43Å; R20-K24 PolarHBondContact O-N 3.13Å
21	Y	98.3	Very high	96.3	Very high	121 Å²	121	83.7 Å²	83.7	48%	0.475	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-50	175.4	175.4	-94.7	0	0	0	111	L17 I18 S19 L23 K24 N25 H28	L17-Y21 WeakPolarHBondContact O-CB 3.37Å; L17-Y21 PolarHBondContact O-N 2.95Å; I18-Y21 PolarHBondContact O-N 3.11Å; S19-Y21 VanDerWaalsContact C-N 3.35Å; S19-Y21 PolarHBondContact O-N 2.94Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.23Å; Y21-K24 PolarHBondContact O-N 3.48Å; Y21-N25 HydrophobicContact CE1-CB 4.3Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.12Å; Y21-N25 PolarHBondContact O-N 3.37Å; Y21-N25 PolarHBondContact O-ND2 2.85Å; Y21-H28 AromaticContact CE1-CD2 3.68Å; Y21-H28 AromaticContact CE1-NE2 3.82Å; Y21-H28 AromaticContact CZ-NE2 3.75Å; Y21-H28 PolarHBondContact OH-NE2 3.1Å
22	L	98.3	Very high	96.6	Very high	16 Å²	16	85.8 Å²	85.8	8%	0.084	40%	0.403	C	S	.	.	H	α-helix	trans	-70.1	-29.5	-179.4	-67.6	173.1	0	0	0	112.9	I18 S19 K24 N25 P26 H28 L29 P218 F219	I18-L22 HydrophobicContact CG2-CD1 3.66Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CB 3.5Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 3.28Å; S19-L22 PolarHBondContact O-N 2.99Å; L22-K24 PolarHBondContact O-N 3.27Å; L22-N25 CarbonylContact O-C 3.59Å; L22-N25 VanDerWaalsContact O-C 3.22Å; L22-N25 PolarHBondContact O-N 3.2Å; L22-P26 WeakPolarHBondContact O-CA 3.49Å; L22-P26 VanDerWaalsContact O-N 3.16Å; L22-H28 HydrophobicContact CD2-CB 4.02Å; L22-L29 HydrophobicContact CD1-CD1 3.71Å; L22-L29 HydrophobicContact CD1-CG 4.42Å; L22-L29 HydrophobicContact CD2-CD1 4.31Å; L22-L29 HydrophobicContact CD2-CG 4.18Å; L22-P218 HydrophobicContact CB-CB 3.53Å; L22-P218 HydrophobicContact CB-CG 4.34Å; L22-F219 HydrophobicContact CD1-CD1 4.07Å; L22-F219 HydrophobicContact CD1-CE1 3.34Å; L22-F219 HydrophobicContact CD1-CZ 3.72Å
23	L	98.1	Very high	96.8	Very high	28 Å²	28	84.1 Å²	84.1	15%	0.147	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-37.9	172	-171.9	73.6	0	0	0	111	S19 Y21 Y212 L217 P218 H268	S19-L23 VanDerWaalsContact O-CB 3.3Å; S19-L23 WeakPolarHBondContact O-CB 3.41Å; S19-L23 PolarHBondContact O-N 3.26Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.23Å; L23-Y212 HydrophobicContact CD1-CD2 4.28Å; L23-Y212 HydrophobicContact CD1-CE2 4.46Å; L23-Y212 HydrophobicContact CD2-CE2 4.04Å; L23-L217 HydrophobicContact CD1-CD2 4.26Å; L23-P218 HydrophobicContact CB-CG 3.76Å; L23-P218 HydrophobicContact CD1-CG 3.96Å; L23-P218 HydrophobicContact CG-CG 4.49Å; L23-H268 HydrophobicContact CD1-CB 4.05Å; L23-H268 HydrophobicContact CG-CB 4.48Å; L23-H268 PolarHBondContact O-ND1 3.22Å
24	K	97.8	Very high	96.7	Very high	135 Å²	135	92.2 Å²	92.2	59%	0.587	42%	0.417	S	S	*	.	H	α-helix	trans	-82.9	-24.8	176.3	-67.4	-177.5	178	-175.1	0	113.4	R20 Y21 L22 P26	R20-K24 PolarHBondContact O-N 3.13Å; Y21-K24 PolarHBondContact O-N 3.48Å; L22-K24 PolarHBondContact O-N 3.27Å; K24-P26 WeakPolarHBondContact O-CD 3.43Å
25	N	97.7	Very high	96.3	Very high	61 Å²	61	89.4 Å²	89.4	33%	0.326	40%	0.404	S	S	.	.			trans	-125.5	61.9	-175.2	-56.6	-74.2	0	0	0	111.2	Y21 L22 H27 H28	Y21-N25 HydrophobicContact CE1-CB 4.3Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.12Å; Y21-N25 PolarHBondContact O-N 3.37Å; Y21-N25 PolarHBondContact O-ND2 2.85Å; L22-N25 CarbonylContact O-C 3.59Å; L22-N25 VanDerWaalsContact O-C 3.22Å; L22-N25 PolarHBondContact O-N 3.2Å; N25-H27 PolarHBondContact O-N 3.25Å; N25-H28 PolarHBondContact O-CD2 3Å; N25-H28 PolarHBondContact O-N 3.33Å
26	P	97.6	Very high	96.2	Very high	2 Å²	2	89.7 Å²	89.7	1%	0.013	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-62.9	-19.9	-174	24.1	-33.6	0	0	0	113.6	L22 K24 H28 L29 H30 D271 R272	L22-P26 WeakPolarHBondContact O-CA 3.49Å; L22-P26 VanDerWaalsContact O-N 3.16Å; K24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-H28 PolarHBondContact O-N 3.31Å; P26-L29 PolarHBondContact O-N 3.22Å; P26-L29 VanDerWaalsContact O-N 3.1Å; P26-H30 PolarHBondContact O-N 3.4Å; P26-D271 HydrophobicContact CG-CB 3.77Å; P26-R272 HydrophobicContact CB-CG 3.51Å; P26-R272 HydrophobicContact CG-CG 3.83Å
27	H	97	Very high	96.2	Very high	106 Å²	106	87.6 Å²	87.6	49%	0.491	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-64.7	-19	-177.3	-61.7	-49.3	0	0	0	115.2	N25 L29 H30 D271	N25-H27 PolarHBondContact O-N 3.25Å; H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 3.09Å; H27-H30 WeakPolarHBondContact CA-O 3.27Å; H27-D271 PolarHBondContact CE1-O 2.9Å
28	H	96.8	Very high	96.2	Very high	124 Å²	124	88.2 Å²	88.2	57%	0.574	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-67.8	-28.9	173.1	-70.9	-66.8	0	0	0	112.8	Y21 L22 N25 P26	Y21-H28 AromaticContact CE1-CD2 3.68Å; Y21-H28 AromaticContact CE1-NE2 3.82Å; Y21-H28 AromaticContact CZ-NE2 3.75Å; Y21-H28 PolarHBondContact OH-NE2 3.1Å; L22-H28 HydrophobicContact CD2-CB 4.02Å; N25-H28 PolarHBondContact O-CD2 3Å; N25-H28 PolarHBondContact O-N 3.33Å; P26-H28 PolarHBondContact O-N 3.31Å
29	L	97.2	Very high	96.1	Very high	93 Å²	93	84.9 Å²	84.9	49%	0.487	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-26.6	-179.6	-65	-174.2	0	0	0	113.3	L22 P26 H27 P218 F219	L22-L29 HydrophobicContact CD1-CD1 3.71Å; L22-L29 HydrophobicContact CD1-CG 4.42Å; L22-L29 HydrophobicContact CD2-CD1 4.31Å; L22-L29 HydrophobicContact CD2-CG 4.18Å; P26-L29 PolarHBondContact O-N 3.22Å; P26-L29 VanDerWaalsContact O-N 3.1Å; H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 3.09Å; L29-P218 WeakPolarHBondContact CD1-O 3.45Å; L29-F219 HydrophobicContact CD1-CD1 3.85Å; L29-F219 HydrophobicContact CD1-CE1 4.39Å
30	H	97.1	Very high	96	Very high	28 Å²	28	85.1 Å²	85.1	13%	0.13	39%	0.386	C	S	.	.			trans	-127.9	132.2	-170.9	-56.6	-78.3	0	0	0	111.5	P26 H27 P218 R272	P26-H30 PolarHBondContact O-N 3.4Å; H27-H30 WeakPolarHBondContact CA-O 3.27Å; H30-P218 PolarHBondContact CD2-O 3.18Å; H30-P218 PolarHBondContact NE2-O 3Å; H30-R272 PolarHBondContact CE1-NH2 3.18Å; H30-R272 VanDerWaalsContact CE1-NH2 3.32Å; H30-R272 PolarHBondContact ND1-NH2 3.08Å; H30-R272 VanDerWaalsContact ND1-NH2 3.13Å
31	R	95.4	Very high	96.1	Very high	241 Å²	241	78.4 Å²	78.4	91%	0.909	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-70	141.4	166.6	-67.2	-176	179.3	-179.3	0.1	109.7	K33	R31-K33 PolarHBondContact O-N 2.74Å
32	K	95.6	Very high	96.1	Very high	120 Å²	120	72.7 Å²	72.7	52%	0.522	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-64.1	125.2	173.3	-170.2	168.2	-173.2	171.9	0	109.4	D271	K32-D271 WeakPolarHBondContact CD-O 3.44Å; K32-D271 WeakPolarHBondContact CG-O 3.37Å
33	K	94.6	Very high	96.1	Very high	58 Å²	58	71.9 Å²	71.9	25%	0.252	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.4	136.9	175.2	-176.5	177.7	-77.3	-167.7	0	110	R31 T35 G223 E224 S225 R272	R31-K33 PolarHBondContact O-N 2.74Å; K33-T35 HydrophobicContact CD-CG2 4.25Å; K33-T35 HydrophobicContact CG-CG2 4.36Å; K33-G223 VanDerWaalsContact NZ-C 3.31Å; K33-G223 PolarHBondContact NZ-O 3.43Å; K33-E224 PolarHBondContact NZ-O 2.88Å; K33-S225 PolarHBondContact NZ-OG 3.04Å; K33-R272 WeakPolarHBondContact CB-O 3.36Å; K33-R272 PolarHBondContact N-O 2.77Å
34	K	91	Very high	96	Very high	204 Å²	204	71.1 Å²	71.1	89%	0.887	33%	0.331	S	S	*	.			trans	-102.6	115.6	170.8	-65	-175.7	179.4	-178.1	0	108.2
35	T	88.3	Confident	96	Very high	44 Å²	44	64.8 Å²	64.8	27%	0.27	30%	0.303	S	S	.	.			trans	-99	149.7	171.6	52	0	0	0	0	109.3	K33 F37	K33-T35 HydrophobicContact CD-CG2 4.25Å; K33-T35 HydrophobicContact CG-CG2 4.36Å; T35-F37 WeakPolarHBondContact CB-O 3.48Å; T35-F37 PolarHBondContact O-N 3.23Å; T35-F37 PolarHBondContact OG1-O 2.99Å
36	A	94.1	Very high	95.9	Very high	78 Å²	78	61.9 Å²	61.9	65%	0.645	29%	0.287	S	S	*	.	S	Bend	trans	-68.9	-15.3	177.2	0	0	0	0	0	112.7	G174 I175	A36-G174 WeakPolarHBondContact CB-O 3.31Å; A36-I175 HydrophobicContact CB-CG2 4.1Å
37	F	95.8	Very high	95.8	Very high	18 Å²	18	61.8 Å²	61.8	8%	0.079	29%	0.287	C	S	.	.			trans	-140.1	158.6	179.9	65.2	-87.9	0	0	0	111.8	T35 M69 P147 I175 P197 I226 Q275	T35-F37 WeakPolarHBondContact CB-O 3.48Å; T35-F37 PolarHBondContact O-N 3.23Å; T35-F37 PolarHBondContact OG1-O 2.99Å; F37-M69 HydrophobicContact CE2-SD 3.97Å; F37-P147 HydrophobicContact CB-CB 4.31Å; F37-P147 HydrophobicContact CB-CG 3.58Å; F37-P147 HydrophobicContact CD1-CB 4.3Å; F37-P147 HydrophobicContact CD1-CG 4.38Å; F37-P147 HydrophobicContact CD2-CB 4Å; F37-P147 HydrophobicContact CD2-CG 4.12Å; F37-P147 HydrophobicContact CE2-CB 4.34Å; F37-P147 HydrophobicContact CG-CB 3.96Å; F37-P147 HydrophobicContact CG-CG 3.79Å; F37-I175 HydrophobicContact CD1-CB 4.34Å; F37-I175 HydrophobicContact CD1-CG2 4.18Å; F37-P197 HydrophobicContact CE1-CG 3.96Å; F37-P197 HydrophobicContact CZ-CG 4.48Å; F37-I226 HydrophobicContact CE2-CD1 3.67Å; F37-I226 HydrophobicContact CZ-CD1 3.83Å; F37-Q275 PolarHBondContact O-NE2 3.31Å; F37-Q275 VanDerWaalsContact O-NE2 3.14Å
38	Y	95.8	Very high	95.7	Very high	135 Å²	135	56.9 Å²	56.9	53%	0.529	26%	0.264	S	S	.	.			trans	-142.7	116	170	-178.3	-86.1	0	0	0	107.7	T40 Q275 T296	Y38-T40 HydrophobicContact CD1-CG2 4.28Å; Y38-T40 HydrophobicContact CE1-CG2 3.73Å; Y38-Q275 HydrophobicContact CD2-CG 3.88Å; Y38-Q275 HydrophobicContact CE2-CG 4.1Å; Y38-T296 HydrophobicContact CE2-CG2 4.39Å; Y38-T296 WeakPolarHBondContact OH-CB 3.17Å
39	C	96.1	Very high	95.7	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.027	24%	0.239	C	C	.	.			trans	-121.1	125.4	-171.1	-59.7	0	0	0	0	110.4	I42 Q68 M69 H277	C39-I42 HydrophobicContact CB-CG1 4.34Å; C39-Q68 HydrophobicContact CB-CB 3.99Å; C39-Q68 PolarHBondContact SG-O 2.93Å; C39-M69 HydrophobicContact CB-CB 3.94Å; C39-H277 PolarHBondContact O-NE2 2.9Å
40	T	96.7	Very high	95.6	Very high	13 Å²	13	47.4 Å²	47.4	8%	0.08	22%	0.219	C	C	.	.	S	Bend	trans	-96.9	-25.5	176.1	60.5	0	0	0	0	112.1	Y38 Q68 T296 G297 V298	Y38-T40 HydrophobicContact CD1-CG2 4.28Å; Y38-T40 HydrophobicContact CE1-CG2 3.73Å; T40-Q68 PolarHBondContact OG1-OE1 3.31Å; T40-T296 WeakPolarHBondContact CG2-O 3.33Å; T40-G297 WeakPolarHBondContact O-CA 3.25Å; T40-V298 PolarHBondContact O-N 2.79Å
41	Q	98.1	Very high	95.5	Very high	18 Å²	18	48.2 Å²	48.2	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.6	-176.5	-59.8	-178.5	79.4	0	0	110.8	G66 Q68 M69 L306 V310	Q41-G66 PolarHBondContact NE2-O 3.08Å; Q41-Q68 HydrophobicContact CB-CG 4.37Å; Q41-Q68 WeakPolarHBondContact O-CB 3.38Å; Q41-Q68 PolarHBondContact O-N 3.5Å; Q41-M69 PolarHBondContact O-N 3.43Å; Q41-L306 HydrophobicContact CB-CD2 4Å; Q41-L306 HydrophobicContact CB-CG 4.39Å; Q41-L306 HydrophobicContact CG-CD2 4.2Å; Q41-L306 HydrophobicContact CG-CG 4.11Å; Q41-V310 HydrophobicContact CG-CG2 4.03Å
42	I	98.4	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.8	-174.6	-51.1	91.6	0	0	0	110	C39 M69 E71 V298 M299 T300	C39-I42 HydrophobicContact CB-CG1 4.34Å; I42-M69 WeakPolarHBondContact CA-O 3.38Å; I42-M69 HydrophobicContact CB-CB 4.44Å; I42-M69 HydrophobicContact CG1-CB 3.97Å; I42-M69 HydrophobicContact CG1-CE 4.06Å; I42-M69 HydrophobicContact CG2-CB 4.03Å; I42-M69 HydrophobicContact CG2-CE 3.65Å; I42-M69 HydrophobicContact CG2-CG 4.24Å; I42-E71 HydrophobicContact CG2-CB 4.13Å; I42-V298 VanDerWaalsContact CD1-O 3.23Å; I42-V298 WeakPolarHBondContact CD1-O 3.44Å; I42-V298 PolarHBondContact N-O 3.09Å; I42-M299 HydrophobicContact CB-CB 3.86Å; I42-M299 HydrophobicContact CB-CG 4.04Å; I42-M299 HydrophobicContact CG2-CB 4.14Å; I42-M299 HydrophobicContact CG2-CE 3.93Å; I42-M299 HydrophobicContact CG2-CG 3.83Å; I42-M299 VanDerWaalsContact O-CA 3.3Å; I42-M299 WeakPolarHBondContact O-CA 3.18Å; I42-T300 PolarHBondContact O-N 2.73Å
43	S	98.1	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.1	175.7	-81.4	0	0	0	0	111.1	R45 A62 S67 M69 E71 P303	S43-R45 PolarHBondContact O-N 2.7Å; S43-A62 WeakPolarHBondContact OG-CB 3.41Å; S43-S67 WeakPolarHBondContact OG-CB 3.23Å; S43-S67 PolarHBondContact OG-OG 3.04Å; S43-M69 PolarHBondContact N-O 2.88Å; S43-E71 PolarHBondContact O-N 3.44Å; S43-P303 WeakPolarHBondContact OG-CB 3.45Å
44	H	97.7	Very high	95.7	Very high	11 Å²	11	28.5 Å²	28.5	5%	0.051	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-69	122.6	172.4	-179.7	-120	0	0	0	109.7	G46 G47 S48 E71 F119 M299 T300 D301	H44-G46 PolarHBondContact O-N 2.85Å; H44-G46 VanDerWaalsContact O-N 3.08Å; H44-G47 PolarHBondContact O-N 2.8Å; H44-S48 PolarHBondContact O-N 3.16Å; H44-E71 WeakPolarHBondContact CA-OE2 3.4Å; H44-E71 IonicContact CD2-OE2 3.94Å; H44-E71 PolarHBondContact CD2-OE2 3.32Å; H44-E71 IonicContact CG-OE2 3.2Å; H44-E71 IonicContact NE2-OE2 3.66Å; H44-F119 AromaticContact CE1-CD2 3.72Å; H44-F119 AromaticContact CE1-CE2 3.48Å; H44-F119 VanDerWaalsContact CE1-CE2 3.48Å; H44-F119 WeakPolarHBondContact CE1-CE2 3.36Å; H44-F119 AromaticContact NE2-CE2 3.82Å; H44-M299 HydrophobicContact CB-CG 3.79Å; H44-M299 HydrophobicContact CB-SD 3.95Å; H44-T300 PolarHBondContact N-O 2.7Å; H44-D301 IonicContact CE1-OD1 3.82Å; H44-D301 IonicContact CG-OD1 3.81Å; H44-D301 IonicContact ND1-OD1 3.71Å; H44-D301 PolarHBondContact ND1-OD1 3.4Å; H44-D301 IonicContact ND1-OD2 3.74Å
45	R	97.1	Very high	96	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.008	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	47.3	34.8	-174.5	-49	-179.6	-166.9	162.6	7.3	114.5	S43 E53 N54 E71 D73 H86 T118	S43-R45 PolarHBondContact O-N 2.7Å; R45-E53 HydrophobicContact CB-CB 3.87Å; R45-E53 IonicContact CZ-OE2 3.66Å; R45-E53 IonicContact NH1-OE1 2.66Å; R45-E53 IonicContact NH1-OE2 3.62Å; R45-E53 PolarHBondContact NH1-OE2 2.95Å; R45-N54 PolarHBondContact O-N 2.73Å; R45-E71 VanDerWaalsContact CA-O 3.25Å; R45-E71 WeakPolarHBondContact CA-O 3.26Å; R45-E71 PolarHBondContact N-O 3.25Å; R45-E71 VanDerWaalsContact N-O 3.09Å; R45-E71 PolarHBondContact N-OE2 2.94Å; R45-D73 IonicContact NE-OD2 3.98Å; R45-H86 PolarHBondContact NE-CD2 3.47Å; R45-H86 PolarHBondContact NH2-CD2 2.95Å; R45-H86 PolarHBondContact NH2-CE1 3.02Å; R45-H86 PolarHBondContact NH2-NE2 3.42Å; R45-T118 PolarHBondContact NH1-OG1 3.02Å; R45-T118 PolarHBondContact NH2-OG1 3.29Å
46	G	96	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	77.9	14.6	-176.1	0	0	0	0	0	116	H44 A58 F59 A62	H44-G46 PolarHBondContact O-N 2.85Å; H44-G46 VanDerWaalsContact O-N 3.08Å; G46-A58 CarbonylContact O-C 3.15Å; G46-A58 VanDerWaalsContact O-C 3.29Å; G46-F59 VanDerWaalsContact CA-CD1 3.46Å; G46-A62 WeakPolarHBondContact O-CB 3.2Å
47	G	95.9	Very high	96.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	55.1	-178.5	0	0	0	0	0	111.9	H44 G49 E50 K51 D301	H44-G47 PolarHBondContact O-N 2.8Å; G47-G49 PolarHBondContact O-N 3.36Å; G47-E50 PolarHBondContact O-N 3.08Å; G47-K51 PolarHBondContact O-N 3.39Å; G47-D301 CarbonylContact C-O 3.52Å; G47-D301 VanDerWaalsContact CA-O 3.26Å; G47-D301 WeakPolarHBondContact CA-O 3.34Å
48	S	95.2	Very high	96.7	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.021	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	-172.3	76.2	0	0	0	0	115.3	H44 K51 N125 D301	H44-S48 PolarHBondContact O-N 3.16Å; S48-K51 CarbonylContact C-O 3.57Å; S48-K51 WeakPolarHBondContact CA-O 3.47Å; S48-K51 VanDerWaalsContact O-O 3.08Å; S48-N125 WeakPolarHBondContact O-CB 3.44Å; S48-D301 PolarHBondContact N-O 3.35Å; S48-D301 VanDerWaalsContact OG-CG 3.22Å; S48-D301 PolarHBondContact OG-OD1 3.43Å
49	G	95	Very high	96.8	Very high	3 Å²	3	9.1 Å²	9.1	3%	0.031	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.2	176.3	0	0	0	0	0	113.7	G47 D301	G47-G49 PolarHBondContact O-N 3.36Å; G49-D301 WeakPolarHBondContact CA-O 3.18Å; G49-D301 PolarHBondContact N-O 2.93Å
50	E	95.6	Very high	96.9	Very high	16 Å²	16	10.1 Å²	10.1	8%	0.075	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-26.3	-175.6	-68.4	-179.8	-161.9	0	0	113.3	G47 N61 K126 Y302 P303 T304	G47-E50 PolarHBondContact O-N 3.08Å; E50-N61 PolarHBondContact OE2-ND2 3.3Å; E50-N61 VanDerWaalsContact OE2-ND2 3.09Å; E50-K126 WeakPolarHBondContact O-CB 3.37Å; E50-Y302 HydrophobicContact CG-CD1 4.14Å; E50-Y302 VanDerWaalsContact OE1-CA 3.31Å; E50-Y302 WeakPolarHBondContact OE1-CA 3.36Å; E50-P303 VanDerWaalsContact CD-CD 3.5Å; E50-P303 WeakPolarHBondContact OE1-CD 3.23Å; E50-T304 VanDerWaalsContact CD-OG1 3.26Å; E50-T304 WeakPolarHBondContact OE1-CA 3.45Å; E50-T304 WeakPolarHBondContact OE1-CB 3.47Å; E50-T304 PolarHBondContact OE1-N 3.2Å; E50-T304 PolarHBondContact OE1-OG1 2.68Å; E50-T304 PolarHBondContact OE2-OG1 2.94Å
51	K	96.1	Very high	97	Very high	44 Å²	44	10.9 Å²	10.9	19%	0.191	5%	0.054	C	C	.	.	S	Bend	trans	-146.9	164.4	178.8	-65.2	-63.3	178.9	169.4	0	109.7	G47 S48 E53 E57 A58 N61	G47-K51 PolarHBondContact O-N 3.39Å; S48-K51 CarbonylContact C-O 3.57Å; S48-K51 WeakPolarHBondContact CA-O 3.47Å; S48-K51 VanDerWaalsContact O-O 3.08Å; K51-E53 PolarHBondContact O-N 3.46Å; K51-E57 HydrophobicContact CD-CG 4.12Å; K51-E57 WeakPolarHBondContact CD-OE1 3.3Å; K51-E57 WeakPolarHBondContact CE-OE1 3.39Å; K51-E57 HydrophobicContact CG-CG 4.49Å; K51-E57 IonicContact NZ-OE1 2.71Å; K51-E57 PolarHBondContact NZ-OE1 2.9Å; K51-A58 HydrophobicContact CB-CB 3.64Å; K51-N61 HydrophobicContact CG-CB 3.89Å
52	I	96.3	Very high	97	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.05	C	C	.	.			trans	-58	124.6	177.1	-62.3	172.7	0	0	0	108.9	T55 A58 Y111 K112 L115 N125 R131	I52-T55 HydrophobicContact CB-CG2 3.89Å; I52-T55 HydrophobicContact CG2-CG2 3.73Å; I52-T55 WeakPolarHBondContact O-CG2 3.4Å; I52-T55 PolarHBondContact O-OG1 3.06Å; I52-A58 VanDerWaalsContact O-CB 3.23Å; I52-A58 WeakPolarHBondContact O-CB 3.42Å; I52-Y111 HydrophobicContact CG2-CD1 4.46Å; I52-Y111 HydrophobicContact CG2-CD2 3.68Å; I52-Y111 HydrophobicContact CG2-CE2 4.4Å; I52-Y111 HydrophobicContact CG2-CG 3.72Å; I52-K112 WeakPolarHBondContact CD1-O 3.33Å; I52-L115 HydrophobicContact CG2-CD1 4.01Å; I52-N125 WeakPolarHBondContact CG1-ND2 3.49Å; I52-N125 PolarHBondContact N-ND2 3.39Å; I52-R131 HydrophobicContact CD1-CG 3.85Å
53	E	95.5	Very high	97	Very high	4 Å²	4	12 Å²	12	2%	0.019	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	145.1	-177.3	60.5	177.9	-137.6	0	0	113	R45 K51 T55 R92 Q93 L115	R45-E53 HydrophobicContact CB-CB 3.87Å; R45-E53 IonicContact CZ-OE2 3.66Å; R45-E53 IonicContact NH1-OE1 2.66Å; R45-E53 IonicContact NH1-OE2 3.62Å; R45-E53 PolarHBondContact NH1-OE2 2.95Å; K51-E53 PolarHBondContact O-N 3.46Å; E53-T55 PolarHBondContact O-N 3.09Å; E53-R92 IonicContact OE1-CZ 3.53Å; E53-R92 IonicContact OE1-NH1 3.82Å; E53-R92 IonicContact OE1-NH2 3.69Å; E53-R92 PolarHBondContact OE1-NH2 2.88Å; E53-R92 IonicContact OE2-NH1 2.76Å; E53-R92 PolarHBondContact OE2-NH1 3.17Å; E53-R92 IonicContact OE2-NH2 3.08Å; E53-Q93 PolarHBondContact OE1-NE2 3.05Å; E53-L115 HydrophobicContact CG-CD1 3.96Å
54	N	96.3	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	21.7	173.3	-64.5	-41.8	0	0	0	116.4	R45 F59 V84 H86 A134	R45-N54 PolarHBondContact O-N 2.73Å; N54-F59 HydrophobicContact CB-CZ 4.34Å; N54-V84 HydrophobicContact CB-CB 4.41Å; N54-V84 HydrophobicContact CB-CG1 3.92Å; N54-V84 WeakPolarHBondContact CB-O 3.49Å; N54-H86 PolarHBondContact ND2-N 2.99Å; N54-A134 VanDerWaalsContact O-CB 3.3Å; N54-A134 WeakPolarHBondContact O-CB 3.43Å
55	T	97.6	Very high	97	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-92.4	158.3	170.8	60.8	0	0	0	0	111.8	I52 E53 E57 A58 F59 Y111	I52-T55 HydrophobicContact CB-CG2 3.89Å; I52-T55 HydrophobicContact CG2-CG2 3.73Å; I52-T55 WeakPolarHBondContact O-CG2 3.4Å; I52-T55 PolarHBondContact O-OG1 3.06Å; E53-T55 PolarHBondContact O-N 3.09Å; T55-E57 PolarHBondContact O-N 3.28Å; T55-A58 PolarHBondContact O-N 3.25Å; T55-A58 WeakPolarHBondContact OG1-CB 3.1Å; T55-A58 PolarHBondContact OG1-N 2.94Å; T55-A58 VanDerWaalsContact OG1-N 3.09Å; T55-F59 WeakPolarHBondContact O-CD2 3.48Å; T55-F59 WeakPolarHBondContact O-CG 3.44Å; T55-F59 PolarHBondContact O-N 2.92Å; T55-F59 VanDerWaalsContact O-N 3.1Å; T55-Y111 HydrophobicContact CG2-CD2 3.71Å; T55-Y111 HydrophobicContact CG2-CE2 3.85Å
56	M	98	Very high	96.9	Very high	33 Å²	33	21.8 Å²	21.8	16%	0.163	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-32.3	174.3	-72.3	-56.5	-59.3	0	0	111.5	F59 T60 D130 A134 D138 V139 K142 F143	M56-F59 HydrophobicContact SD-CD2 4.17Å; M56-T60 WeakPolarHBondContact O-CB 3.49Å; M56-T60 PolarHBondContact O-N 3.14Å; M56-T60 PolarHBondContact O-OG1 2.75Å; M56-D130 PolarHBondContact N-OD2 2.87Å; M56-D130 VanDerWaalsContact N-OD2 3.08Å; M56-A134 HydrophobicContact CG-CB 4.1Å; M56-A134 HydrophobicContact SD-CB 4.08Å; M56-D138 HydrophobicContact SD-CB 4.44Å; M56-V139 HydrophobicContact SD-CG2 3.66Å; M56-K142 HydrophobicContact CE-CB 3.82Å; M56-K142 HydrophobicContact CE-CD 3.29Å; M56-K142 HydrophobicContact CE-CG 4.15Å; M56-F143 HydrophobicContact CE-CE2 3.84Å; M56-F143 HydrophobicContact CE-CZ 4.48Å
57	E	97.6	Very high	97	Very high	38 Å²	38	22.1 Å²	22.1	18%	0.178	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-46.2	171.7	-173.4	179.4	167	0	0	111.8	K51 T55 T60 N61 T129 D130	K51-E57 HydrophobicContact CD-CG 4.12Å; K51-E57 WeakPolarHBondContact CD-OE1 3.3Å; K51-E57 WeakPolarHBondContact CE-OE1 3.39Å; K51-E57 HydrophobicContact CG-CG 4.49Å; K51-E57 IonicContact NZ-OE1 2.71Å; K51-E57 PolarHBondContact NZ-OE1 2.9Å; T55-E57 PolarHBondContact O-N 3.28Å; E57-T60 PolarHBondContact O-N 3.23Å; E57-N61 WeakPolarHBondContact O-CB 3.44Å; E57-N61 PolarHBondContact O-N 2.98Å; E57-T129 PolarHBondContact OE2-N 3.31Å; E57-T129 PolarHBondContact OE2-OG1 2.91Å; E57-T129 VanDerWaalsContact OE2-OG1 3.13Å; E57-D130 HydrophobicContact CB-CB 3.52Å; E57-D130 PolarHBondContact N-OD2 3.4Å; E57-D130 PolarHBondContact OE2-N 3.45Å
58	A	97.8	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-49.2	177.4	0	0	0	0	0	112.2	G46 K51 I52 T55 T60 N61 A62	G46-A58 CarbonylContact O-C 3.15Å; G46-A58 VanDerWaalsContact O-C 3.29Å; K51-A58 HydrophobicContact CB-CB 3.64Å; I52-A58 VanDerWaalsContact O-CB 3.23Å; I52-A58 WeakPolarHBondContact O-CB 3.42Å; T55-A58 PolarHBondContact O-N 3.25Å; T55-A58 WeakPolarHBondContact OG1-CB 3.1Å; T55-A58 PolarHBondContact OG1-N 2.94Å; T55-A58 VanDerWaalsContact OG1-N 3.09Å; A58-T60 VanDerWaalsContact C-N 3.29Å; A58-T60 PolarHBondContact O-N 2.53Å; A58-N61 PolarHBondContact O-N 2.82Å; A58-A62 WeakPolarHBondContact O-CB 3.41Å; A58-A62 PolarHBondContact O-N 3.34Å
59	F	98.6	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-39.6	177.4	-61.9	-43.3	0	0	0	112.9	G46 N54 T55 M56 I63 L70 M72 V84 A134 V139 F143	G46-F59 VanDerWaalsContact CA-CD1 3.46Å; N54-F59 HydrophobicContact CB-CZ 4.34Å; T55-F59 WeakPolarHBondContact O-CD2 3.48Å; T55-F59 WeakPolarHBondContact O-CG 3.44Å; T55-F59 PolarHBondContact O-N 2.92Å; T55-F59 VanDerWaalsContact O-N 3.1Å; M56-F59 HydrophobicContact SD-CD2 4.17Å; F59-I63 WeakPolarHBondContact O-CG1 3.23Å; F59-I63 PolarHBondContact O-N 3.32Å; F59-I63 VanDerWaalsContact O-N 3.13Å; F59-L70 HydrophobicContact CB-CD1 3.84Å; F59-L70 HydrophobicContact CD1-CB 4.41Å; F59-L70 HydrophobicContact CD1-CD1 3.7Å; F59-L70 HydrophobicContact CD1-CD2 4.02Å; F59-L70 HydrophobicContact CD1-CG 4.26Å; F59-L70 HydrophobicContact CG-CD1 3.92Å; F59-M72 HydrophobicContact CE1-CE 4.32Å; F59-M72 HydrophobicContact CZ-CB 4.36Å; F59-M72 HydrophobicContact CZ-CE 4.37Å; F59-V84 HydrophobicContact CE2-CG1 4.34Å; F59-V84 HydrophobicContact CZ-CG1 3.88Å; F59-A134 HydrophobicContact CE2-CB 4.2Å; F59-V139 HydrophobicContact CD2-CG1 4.5Å; F59-V139 HydrophobicContact CD2-CG2 3.71Å; F59-V139 HydrophobicContact CE2-CG2 3.62Å; F59-F143 HydrophobicContact CB-CD2 4.48Å; F59-F143 HydrophobicContact CB-CE2 3.66Å; F59-F143 HydrophobicContact CB-CZ 4.25Å
60	T	98.4	Very high	97.4	Very high	25 Å²	25	24.5 Å²	24.5	15%	0.153	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-51	176.5	-53.6	0	0	0	0	110.7	M56 E57 A58 A62 I63 E64 K142	M56-T60 WeakPolarHBondContact O-CB 3.49Å; M56-T60 PolarHBondContact O-N 3.14Å; M56-T60 PolarHBondContact O-OG1 2.75Å; E57-T60 PolarHBondContact O-N 3.23Å; A58-T60 VanDerWaalsContact C-N 3.29Å; A58-T60 PolarHBondContact O-N 2.53Å; T60-A62 VanDerWaalsContact C-N 3.32Å; T60-A62 PolarHBondContact O-N 3.09Å; T60-I63 PolarHBondContact O-N 3.25Å; T60-E64 HydrophobicContact CG2-CG 4.41Å; T60-E64 WeakPolarHBondContact CG2-OE1 3.41Å; T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 WeakPolarHBondContact O-CG 3.39Å; T60-E64 PolarHBondContact O-N 3.2Å; T60-K142 WeakPolarHBondContact OG1-CE 3.46Å; T60-K142 PolarHBondContact OG1-NZ 3.32Å
61	N	98	Very high	97.6	Very high	29 Å²	29	24 Å²	24	16%	0.155	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-43.2	177.8	178.8	84.3	0	0	0	111.8	E50 K51 E57 A58 I63 E64 N65	E50-N61 PolarHBondContact OE2-ND2 3.3Å; E50-N61 VanDerWaalsContact OE2-ND2 3.09Å; K51-N61 HydrophobicContact CG-CB 3.89Å; E57-N61 WeakPolarHBondContact O-CB 3.44Å; E57-N61 PolarHBondContact O-N 2.98Å; A58-N61 PolarHBondContact O-N 2.82Å; N61-I63 PolarHBondContact O-N 3.4Å; N61-E64 PolarHBondContact O-N 3.01Å; N61-N65 WeakPolarHBondContact O-CB 3.36Å; N61-N65 PolarHBondContact O-N 3.48Å; N61-N65 PolarHBondContact O-ND2 3.06Å; N61-N65 PolarHBondContact OD1-ND2 2.84Å
62	A	98.2	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.4	-48	176.9	0	0	0	0	0	112.5	S43 G46 A58 T60 N65 G66 S67 L70 P303	S43-A62 WeakPolarHBondContact OG-CB 3.41Å; G46-A62 WeakPolarHBondContact O-CB 3.2Å; A58-A62 WeakPolarHBondContact O-CB 3.41Å; A58-A62 PolarHBondContact O-N 3.34Å; T60-A62 VanDerWaalsContact C-N 3.32Å; T60-A62 PolarHBondContact O-N 3.09Å; A62-N65 CarbonylContact O-C 3.45Å; A62-N65 PolarHBondContact O-N 3.19Å; A62-G66 PolarHBondContact O-N 3.03Å; A62-S67 VanDerWaalsContact O-CB 3.23Å; A62-S67 WeakPolarHBondContact O-CB 3.45Å; A62-S67 PolarHBondContact O-N 2.98Å; A62-S67 PolarHBondContact O-OG 3.08Å; A62-L70 HydrophobicContact CB-CD2 3.91Å; A62-P303 HydrophobicContact CB-CB 4.43Å; A62-P303 HydrophobicContact CB-CG 4.19Å
63	I	98.4	Very high	97.6	Very high	41 Å²	41	22 Å²	22	21%	0.21	12%	0.116	C	C	.	.	H	α-helix	trans	-67.8	-42.5	-178.7	-70.8	165.6	0	0	0	111	F59 T60 N61 N65 G66 L70 F143 I146	F59-I63 WeakPolarHBondContact O-CG1 3.23Å; F59-I63 PolarHBondContact O-N 3.32Å; F59-I63 VanDerWaalsContact O-N 3.13Å; T60-I63 PolarHBondContact O-N 3.25Å; N61-I63 PolarHBondContact O-N 3.4Å; I63-N65 PolarHBondContact O-N 2.81Å; I63-G66 PolarHBondContact O-N 3.5Å; I63-L70 HydrophobicContact CD1-CD1 3.88Å; I63-L70 HydrophobicContact CD1-CG 4.4Å; I63-L70 HydrophobicContact CG1-CD1 4.49Å; I63-L70 HydrophobicContact CG1-CD2 4.28Å; I63-F143 HydrophobicContact CD1-CB 4.04Å; I63-F143 HydrophobicContact CD1-CD1 3.17Å; I63-F143 HydrophobicContact CD1-CD2 3.79Å; I63-F143 HydrophobicContact CD1-CE1 3.35Å; I63-F143 HydrophobicContact CD1-CE2 3.96Å; I63-F143 HydrophobicContact CD1-CG 3.38Å; I63-F143 HydrophobicContact CD1-CZ 3.73Å; I63-I146 HydrophobicContact CD1-CB 4.4Å; I63-I146 HydrophobicContact CD1-CG1 3.85Å; I63-I146 HydrophobicContact CD1-CG2 4.23Å; I63-I146 HydrophobicContact CG1-CG1 4.35Å; I63-I146 HydrophobicContact CG1-CG2 4.48Å
64	E	97.9	Very high	97.8	Very high	147 Å²	147	21.8 Å²	21.8	69%	0.687	12%	0.115	S	C	*	.	H	α-helix	trans	-59.8	-31.3	174.5	-72.9	174.2	172.3	0	0	112	T60 N61 G66	T60-E64 HydrophobicContact CG2-CG 4.41Å; T60-E64 WeakPolarHBondContact CG2-OE1 3.41Å; T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 WeakPolarHBondContact O-CG 3.39Å; T60-E64 PolarHBondContact O-N 3.2Å; N61-E64 PolarHBondContact O-N 3.01Å; E64-G66 VanDerWaalsContact C-N 3.33Å
65	N	96.8	Very high	97.9	Very high	45 Å²	45	22 Å²	22	24%	0.241	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12.6	175.6	-72.5	-70.6	0	0	0	114.2	N61 A62 I63 P303 T304 S307	N61-N65 WeakPolarHBondContact O-CB 3.36Å; N61-N65 PolarHBondContact O-N 3.48Å; N61-N65 PolarHBondContact O-ND2 3.06Å; N61-N65 PolarHBondContact OD1-ND2 2.84Å; A62-N65 CarbonylContact O-C 3.45Å; A62-N65 PolarHBondContact O-N 3.19Å; I63-N65 PolarHBondContact O-N 2.81Å; N65-P303 HydrophobicContact CB-CB 4.35Å; N65-T304 VanDerWaalsContact CG-OG1 3.24Å; N65-T304 PolarHBondContact OD1-OG1 2.62Å; N65-S307 WeakPolarHBondContact O-CB 3.37Å; N65-S307 PolarHBondContact O-OG 2.99Å
66	G	95.8	Very high	97.9	Very high	27 Å²	27	22.3 Å²	22.3	28%	0.278	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	12.5	167.8	0	0	0	0	0	115.7	Q41 A62 I63 E64	Q41-G66 PolarHBondContact NE2-O 3.08Å; A62-G66 PolarHBondContact O-N 3.03Å; I63-G66 PolarHBondContact O-N 3.5Å; E64-G66 VanDerWaalsContact C-N 3.33Å
67	S	97.8	Very high	97.9	Very high	8 Å²	8	21 Å²	21	6%	0.056	11%	0.112	C	C	.	.			trans	-61.9	135.9	170.8	-69	0	0	0	0	111.7	S43 A62 P303	S43-S67 WeakPolarHBondContact OG-CB 3.23Å; S43-S67 PolarHBondContact OG-OG 3.04Å; A62-S67 VanDerWaalsContact O-CB 3.23Å; A62-S67 WeakPolarHBondContact O-CB 3.45Å; A62-S67 PolarHBondContact O-N 2.98Å; A62-S67 PolarHBondContact O-OG 3.08Å; S67-P303 WeakPolarHBondContact OG-CB 3.32Å
68	Q	98.4	Very high	97.9	Very high	55 Å²	55	26.2 Å²	26.2	26%	0.257	13%	0.134	S	C	.	.	S	Bend	trans	-105.9	-14.3	-177.2	-63.8	169.8	-17.6	0	0	112.4	C39 T40 Q41 P147	C39-Q68 HydrophobicContact CB-CB 3.99Å; C39-Q68 PolarHBondContact SG-O 2.93Å; T40-Q68 PolarHBondContact OG1-OE1 3.31Å; Q41-Q68 HydrophobicContact CB-CG 4.37Å; Q41-Q68 WeakPolarHBondContact O-CB 3.38Å; Q41-Q68 PolarHBondContact O-N 3.5Å; Q68-P147 WeakPolarHBondContact O-CD 3.49Å
69	M	98.6	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.3	172.5	-176	170.8	95.9	0	0	108.6	F37 C39 Q41 I42 S43 P147 S149	F37-M69 HydrophobicContact CE2-SD 3.97Å; C39-M69 HydrophobicContact CB-CB 3.94Å; Q41-M69 PolarHBondContact O-N 3.43Å; I42-M69 WeakPolarHBondContact CA-O 3.38Å; I42-M69 HydrophobicContact CB-CB 4.44Å; I42-M69 HydrophobicContact CG1-CB 3.97Å; I42-M69 HydrophobicContact CG1-CE 4.06Å; I42-M69 HydrophobicContact CG2-CB 4.03Å; I42-M69 HydrophobicContact CG2-CE 3.65Å; I42-M69 HydrophobicContact CG2-CG 4.24Å; S43-M69 PolarHBondContact N-O 2.88Å; M69-P147 WeakPolarHBondContact CA-O 3.41Å; M69-P147 HydrophobicContact CB-CB 4.34Å; M69-P147 HydrophobicContact CG-CB 4.07Å; M69-P147 WeakPolarHBondContact CG-O 3.27Å; M69-P147 HydrophobicContact SD-CB 4.48Å; M69-S149 VanDerWaalsContact CE-CB 3.5Å
70	L	98.6	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.8	169.6	-61	176.5	0	0	0	108.4	F59 A62 I63 M72 V139 F143 I146 P147 V148 S149	F59-L70 HydrophobicContact CB-CD1 3.84Å; F59-L70 HydrophobicContact CD1-CB 4.41Å; F59-L70 HydrophobicContact CD1-CD1 3.7Å; F59-L70 HydrophobicContact CD1-CD2 4.02Å; F59-L70 HydrophobicContact CD1-CG 4.26Å; F59-L70 HydrophobicContact CG-CD1 3.92Å; A62-L70 HydrophobicContact CB-CD2 3.91Å; I63-L70 HydrophobicContact CD1-CD1 3.88Å; I63-L70 HydrophobicContact CD1-CG 4.4Å; I63-L70 HydrophobicContact CG1-CD1 4.49Å; I63-L70 HydrophobicContact CG1-CD2 4.28Å; L70-M72 HydrophobicContact CB-CE 3.75Å; L70-V139 HydrophobicContact CD1-CG1 4.43Å; L70-F143 HydrophobicContact CD1-CD2 4.28Å; L70-I146 HydrophobicContact CD1-CG2 4.46Å; L70-I146 HydrophobicContact CG-CG2 4.13Å; L70-P147 PolarHBondContact N-O 2.9Å; L70-P147 VanDerWaalsContact N-O 3.08Å; L70-V148 HydrophobicContact CB-CG1 4.4Å; L70-V148 CarbonylContact O-C 3.54Å; L70-V148 VanDerWaalsContact O-CA 3.24Å; L70-V148 WeakPolarHBondContact O-CA 3.43Å; L70-S149 PolarHBondContact O-N 2.96Å
71	E	98.3	Very high	97.9	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.033	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140	167.3	-178.6	-75.7	155.7	0	0	108.4	I42 S43 H44 R45 M299	I42-E71 HydrophobicContact CG2-CB 4.13Å; S43-E71 PolarHBondContact O-N 3.44Å; H44-E71 WeakPolarHBondContact CA-OE2 3.4Å; H44-E71 IonicContact CD2-OE2 3.94Å; H44-E71 PolarHBondContact CD2-OE2 3.32Å; H44-E71 IonicContact CG-OE2 3.2Å; H44-E71 IonicContact NE2-OE2 3.66Å; R45-E71 VanDerWaalsContact CA-O 3.25Å; R45-E71 WeakPolarHBondContact CA-O 3.26Å; R45-E71 PolarHBondContact N-O 3.25Å; R45-E71 VanDerWaalsContact N-O 3.09Å; R45-E71 PolarHBondContact N-OE2 2.94Å; E71-M299 HydrophobicContact CB-CE 3.87Å; E71-M299 HydrophobicContact CB-SD 3.96Å; E71-M299 HydrophobicContact CG-CE 3.74Å; E71-M299 HydrophobicContact CG-SD 3.85Å
72	M	97.4	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.4	-176.9	70.8	-166.7	65.2	0	0	111.9	F59 L70 V84 L136 V139 V148 S149 I150 E151	F59-M72 HydrophobicContact CE1-CE 4.32Å; F59-M72 HydrophobicContact CZ-CB 4.36Å; F59-M72 HydrophobicContact CZ-CE 4.37Å; L70-M72 HydrophobicContact CB-CE 3.75Å; M72-V84 HydrophobicContact CB-CG1 3.52Å; M72-V84 HydrophobicContact CG-CG1 3.97Å; M72-V84 HydrophobicContact SD-CG1 4.03Å; M72-V84 HydrophobicContact SD-CG2 4.26Å; M72-L136 HydrophobicContact SD-CD1 3.59Å; M72-L136 VanDerWaalsContact SD-CD1 3.59Å; M72-V139 HydrophobicContact CE-CG1 4.01Å; M72-V148 HydrophobicContact CE-CB 3.92Å; M72-V148 HydrophobicContact CE-CG1 3.59Å; M72-S149 PolarHBondContact N-O 3.09Å; M72-S149 VanDerWaalsContact O-O 3.1Å; M72-I150 HydrophobicContact CG-CG1 4.2Å; M72-I150 CarbonylContact O-C 3.44Å; M72-I150 WeakPolarHBondContact O-CA 3.3Å; M72-I150 HydrophobicContact SD-CG1 4.41Å; M72-E151 PolarHBondContact O-N 2.91Å
73	D	96.5	Very high	98	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.1	175.9	-51.6	-87.8	0	0	0	109.6	R45 V84 S85 H86 K153	R45-D73 IonicContact NE-OD2 3.98Å; D73-V84 CarbonylContact O-C 3.53Å; D73-V84 VanDerWaalsContact O-CA 3.3Å; D73-V84 WeakPolarHBondContact O-CA 3.31Å; D73-V84 WeakPolarHBondContact O-CG1 3.37Å; D73-S85 WeakPolarHBondContact CB-O 3.02Å; D73-S85 PolarHBondContact O-N 2.92Å; D73-H86 IonicContact OD1-CD2 2.66Å; D73-H86 WeakPolarHBondContact OD2-CA 3.07Å; D73-H86 WeakPolarHBondContact OD2-CB 3.17Å; D73-H86 IonicContact OD2-CD2 3.49Å; D73-H86 PolarHBondContact OD2-CD2 3.5Å; D73-H86 IonicContact OD2-CG 2.61Å; D73-K153 VanDerWaalsContact CG-NZ 3.26Å; D73-K153 WeakPolarHBondContact OD1-CE 3.42Å; D73-K153 IonicContact OD1-NZ 2.72Å; D73-K153 PolarHBondContact OD1-NZ 2.97Å; D73-K153 IonicContact OD2-NZ 3.82Å
74	C	98.1	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.3	179.2	-70.1	0	0	0	0	112.4	V82 V83 I150 E151 L159	C74-V82 HydrophobicContact CB-CG1 3.85Å; C74-V83 VanDerWaalsContact CA-O 3.31Å; C74-V83 WeakPolarHBondContact CA-O 3.35Å; C74-I150 HydrophobicContact CB-CG2 3.99Å; C74-E151 PolarHBondContact N-O 3.09Å; C74-L159 HydrophobicContact CB-CD1 4.3Å; C74-L159 WeakPolarHBondContact O-CD2 3.48Å
75	H	98.3	Very high	97.9	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	165.5	172.8	-62.1	-62.1	0	0	0	109.7	V83 S85 H86 D87 E88 I100	H75-V83 HydrophobicContact CB-CG2 4.37Å; H75-V83 PolarHBondContact N-O 3Å; H75-V83 PolarHBondContact O-N 2.88Å; H75-S85 PolarHBondContact CD2-O 3.47Å; H75-S85 PolarHBondContact NE2-O 3.25Å; H75-S85 VanDerWaalsContact NE2-O 3.07Å; H75-H86 PolarHBondContact NE2-O 3.21Å; H75-D87 PolarHBondContact CD2-O 3.09Å; H75-E88 WeakPolarHBondContact CB-OE2 3.47Å; H75-E88 IonicContact CD2-OE2 3.88Å; H75-E88 IonicContact CE1-OE2 2.77Å; H75-E88 IonicContact CG-OE2 2.67Å; H75-E88 IonicContact ND1-OE2 3.16Å; H75-E88 PolarHBondContact ND1-OE2 3.1Å; H75-E88 PolarHBondContact NE2-N 3.25Å; H75-I100 HydrophobicContact CB-CB 4.4Å; H75-I100 HydrophobicContact CB-CD1 4.09Å; H75-I100 HydrophobicContact CB-CG2 4.07Å
76	L	98.1	Very high	97.9	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.9	179.8	-162.2	75.6	0	0	0	110.4	V82 S101 Q158 L159 E162	L76-V82 HydrophobicContact CD1-CG2 3.94Å; L76-S101 VanDerWaalsContact O-CA 3.28Å; L76-S101 WeakPolarHBondContact O-CA 3.36Å; L76-Q158 HydrophobicContact CD2-CB 4.04Å; L76-Q158 HydrophobicContact CD2-CG 3.62Å; L76-L159 HydrophobicContact CB-CB 4.28Å; L76-L159 HydrophobicContact CB-CD1 4.28Å; L76-L159 HydrophobicContact CD1-CD1 4.43Å; L76-E162 HydrophobicContact CD1-CB 4.46Å; L76-E162 HydrophobicContact CD1-CG 4.21Å
77	T	98.6	Very high	97.8	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.025	12%	0.117	C	C	.	.			trans	-71.4	165.3	169.8	60.1	0	0	0	0	111.1	D79 G80 H81 V83 I100 L103 L108	T77-D79 VanDerWaalsContact CB-OD1 3.25Å; T77-D79 WeakPolarHBondContact CB-OD1 3.45Å; T77-D79 PolarHBondContact O-N 3.18Å; T77-D79 PolarHBondContact OG1-OD1 3Å; T77-G80 PolarHBondContact O-N 3Å; T77-H81 HydrophobicContact CG2-CB 4.45Å; T77-H81 PolarHBondContact N-O 3.36Å; T77-H81 WeakPolarHBondContact OG1-CA 3.31Å; T77-H81 WeakPolarHBondContact OG1-CB 3.35Å; T77-H81 PolarHBondContact OG1-N 3.4Å; T77-H81 PolarHBondContact OG1-O 3.04Å; T77-V83 HydrophobicContact CG2-CG1 3.64Å; T77-V83 HydrophobicContact CG2-CG2 4.12Å; T77-I100 HydrophobicContact CG2-CG2 4.07Å; T77-L103 WeakPolarHBondContact CB-O 3.4Å; T77-L108 HydrophobicContact CG2-CD1 3.97Å
78	K	98.3	Very high	97.7	Very high	148 Å²	148	24.5 Å²	24.5	64%	0.643	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.1	176.6	-175.5	-178.1	175.7	-176.1	0	113	G80 S101 L103	K78-G80 VanDerWaalsContact C-N 3.29Å; K78-S101 WeakPolarHBondContact CB-O 3.46Å; K78-L103 VanDerWaalsContact CB-O 3.24Å; K78-L103 WeakPolarHBondContact CB-O 3.44Å; K78-L103 PolarHBondContact N-O 2.82Å
79	D	98.3	Very high	97.7	Very high	66 Å²	66	24.3 Å²	24.3	35%	0.353	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	10.9	179.1	61.8	-6.9	0	0	0	113.6	T77 H81 N104 L105	T77-D79 VanDerWaalsContact CB-OD1 3.25Å; T77-D79 WeakPolarHBondContact CB-OD1 3.45Å; T77-D79 PolarHBondContact O-N 3.18Å; T77-D79 PolarHBondContact OG1-OD1 3Å; D79-H81 IonicContact OD1-CE1 3.4Å; D79-H81 IonicContact OD1-CG 2.94Å; D79-H81 IonicContact OD1-ND1 3.25Å; D79-H81 PolarHBondContact OD1-ND1 3.49Å; D79-H81 IonicContact OD2-CE1 3.81Å; D79-H81 PolarHBondContact OD2-CE1 3.42Å; D79-H81 IonicContact OD2-ND1 3.82Å; D79-H81 PolarHBondContact OD2-ND1 2.95Å; D79-N104 HydrophobicContact CB-CB 4.38Å; D79-L105 PolarHBondContact OD1-N 2.81Å; D79-L105 PolarHBondContact OD2-N 3.34Å; D79-L105 VanDerWaalsContact OD2-N 3.14Å
80	G	97.8	Very high	97.7	Very high	22 Å²	22	24.3 Å²	24.3	23%	0.227	12%	0.123	C	C	.	.	S	Bend	trans	86.2	16.1	167.2	0	0	0	0	0	115.7	T77 K78	T77-G80 PolarHBondContact O-N 3Å; K78-G80 VanDerWaalsContact C-N 3.29Å
81	H	98.6	Very high	97.6	Very high	74 Å²	74	29.6 Å²	29.6	34%	0.343	15%	0.146	S	C	.	.			trans	-86.5	136.1	174.8	-60.1	90.7	0	0	0	111.1	T77 D79 V83 L105 L135	T77-H81 HydrophobicContact CG2-CB 4.45Å; T77-H81 PolarHBondContact N-O 3.36Å; T77-H81 WeakPolarHBondContact OG1-CA 3.31Å; T77-H81 WeakPolarHBondContact OG1-CB 3.35Å; T77-H81 PolarHBondContact OG1-N 3.4Å; T77-H81 PolarHBondContact OG1-O 3.04Å; D79-H81 IonicContact OD1-CE1 3.4Å; D79-H81 IonicContact OD1-CG 2.94Å; D79-H81 IonicContact OD1-ND1 3.25Å; D79-H81 PolarHBondContact OD1-ND1 3.49Å; D79-H81 IonicContact OD2-CE1 3.81Å; D79-H81 PolarHBondContact OD2-CE1 3.42Å; D79-H81 IonicContact OD2-ND1 3.82Å; D79-H81 PolarHBondContact OD2-ND1 2.95Å; H81-V83 PolarHBondContact O-N 3.49Å; H81-L105 HydrophobicContact CB-CB 4.46Å; H81-L105 HydrophobicContact CB-CD2 4.43Å; H81-L135 HydrophobicContact CB-CD2 3.83Å
82	V	98.7	Very high	97.4	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.055	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111	173.7	-173.9	0	0	0	0	109.3	C74 L76 L136 L159 E162 V163 L166	C74-V82 HydrophobicContact CB-CG1 3.85Å; L76-V82 HydrophobicContact CD1-CG2 3.94Å; V82-L136 HydrophobicContact CB-CB 4.14Å; V82-L136 HydrophobicContact CB-CD2 4.4Å; V82-L136 HydrophobicContact CG1-CB 3.82Å; V82-L136 HydrophobicContact CG1-CD2 3.7Å; V82-L136 HydrophobicContact CG1-CG 4.41Å; V82-L136 PolarHBondContact O-N 3.11Å; V82-L159 HydrophobicContact CG1-CD1 3.84Å; V82-L159 HydrophobicContact CG2-CD1 4.16Å; V82-E162 HydrophobicContact CG2-CB 3.47Å; V82-E162 VanDerWaalsContact CG2-CB 3.47Å; V82-E162 HydrophobicContact CG2-CG 4.48Å; V82-V163 HydrophobicContact CG1-CG2 3.85Å; V82-V163 HydrophobicContact CG2-CG2 4.33Å; V82-L166 HydrophobicContact CB-CD1 4.19Å; V82-L166 HydrophobicContact CG2-CD1 4.17Å
83	V	98.6	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	152.8	177.7	-65.6	0	0	0	0	111	C74 H75 T77 H81 I100 L105 L108 I133 A134 L135	C74-V83 VanDerWaalsContact CA-O 3.31Å; C74-V83 WeakPolarHBondContact CA-O 3.35Å; H75-V83 HydrophobicContact CB-CG2 4.37Å; H75-V83 PolarHBondContact N-O 3Å; H75-V83 PolarHBondContact O-N 2.88Å; T77-V83 HydrophobicContact CG2-CG1 3.64Å; T77-V83 HydrophobicContact CG2-CG2 4.12Å; H81-V83 PolarHBondContact O-N 3.49Å; V83-I100 HydrophobicContact CG2-CD1 4.31Å; V83-I100 HydrophobicContact CG2-CG2 3.54Å; V83-L105 HydrophobicContact CG1-CD1 3.9Å; V83-L108 HydrophobicContact CG1-CD1 3.87Å; V83-I133 HydrophobicContact CB-CG2 3.9Å; V83-I133 HydrophobicContact CG1-CG2 4.49Å; V83-I133 HydrophobicContact CG2-CG2 4.42Å; V83-A134 WeakPolarHBondContact CA-O 3.5Å; V83-L135 HydrophobicContact CG1-CD2 3.95Å
84	V	98.3	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	106.9	-178.8	-166.8	0	0	0	0	108.8	N54 F59 M72 D73 I133 A134 L136 V139	N54-V84 HydrophobicContact CB-CB 4.41Å; N54-V84 HydrophobicContact CB-CG1 3.92Å; N54-V84 WeakPolarHBondContact CB-O 3.49Å; F59-V84 HydrophobicContact CE2-CG1 4.34Å; F59-V84 HydrophobicContact CZ-CG1 3.88Å; M72-V84 HydrophobicContact CB-CG1 3.52Å; M72-V84 HydrophobicContact CG-CG1 3.97Å; M72-V84 HydrophobicContact SD-CG1 4.03Å; M72-V84 HydrophobicContact SD-CG2 4.26Å; D73-V84 CarbonylContact O-C 3.53Å; D73-V84 VanDerWaalsContact O-CA 3.3Å; D73-V84 WeakPolarHBondContact O-CA 3.31Å; D73-V84 WeakPolarHBondContact O-CG1 3.37Å; V84-I133 WeakPolarHBondContact O-CG2 3.48Å; V84-A134 HydrophobicContact CB-CB 4.38Å; V84-A134 HydrophobicContact CG2-CB 4.48Å; V84-A134 PolarHBondContact N-O 3.45Å; V84-L136 HydrophobicContact CG2-CB 4.08Å; V84-L136 HydrophobicContact CG2-CD1 4.26Å; V84-V139 HydrophobicContact CG2-CG2 4.32Å
85	S	97.1	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.			trans	-157.8	142	179.9	-175.8	0	0	0	0	110.8	D73 H75 D87 Q93	D73-S85 WeakPolarHBondContact CB-O 3.02Å; D73-S85 PolarHBondContact O-N 2.92Å; H75-S85 PolarHBondContact CD2-O 3.47Å; H75-S85 PolarHBondContact NE2-O 3.25Å; H75-S85 VanDerWaalsContact NE2-O 3.07Å; S85-D87 PolarHBondContact OG-O 2.92Å; S85-Q93 PolarHBondContact OG-NE2 2.78Å; S85-Q93 PolarHBondContact OG-OE1 3.39Å
86	H	95.2	Very high	97.2	Very high	43 Å²	43	38.8 Å²	38.8	20%	0.199	20%	0.203	C	C	.	.	S	Bend	trans	-71.1	-46.2	-178.6	177.1	-87.8	0	0	0	113.2	R45 N54 D73 H75 K153	R45-H86 PolarHBondContact NE-CD2 3.47Å; R45-H86 PolarHBondContact NH2-CD2 2.95Å; R45-H86 PolarHBondContact NH2-CE1 3.02Å; R45-H86 PolarHBondContact NH2-NE2 3.42Å; N54-H86 PolarHBondContact ND2-N 2.99Å; D73-H86 IonicContact OD1-CD2 2.66Å; D73-H86 WeakPolarHBondContact OD2-CA 3.07Å; D73-H86 WeakPolarHBondContact OD2-CB 3.17Å; D73-H86 IonicContact OD2-CD2 3.49Å; D73-H86 PolarHBondContact OD2-CD2 3.5Å; D73-H86 IonicContact OD2-CG 2.61Å; H75-H86 PolarHBondContact NE2-O 3.21Å; H86-K153 PolarHBondContact CD2-NZ 3.24Å; H86-K153 PolarHBondContact CE1-NZ 3.11Å; H86-K153 PolarHBondContact NE2-NZ 3.33Å; H86-K153 PolarHBondContact O-NZ 3.38Å
87	D	95.1	Very high	97.2	Very high	35 Å²	35	42.9 Å²	42.9	19%	0.187	23%	0.225	C	C	.	.			trans	-97	142.9	-178	-51.3	-34.7	0	0	0	110	H75 S85 N89 R92 I100	H75-D87 PolarHBondContact CD2-O 3.09Å; S85-D87 PolarHBondContact OG-O 2.92Å; D87-N89 WeakPolarHBondContact CB-O 3.08Å; D87-R92 IonicContact OD1-NE 3.7Å; D87-R92 IonicContact OD1-NH2 3.95Å; D87-R92 IonicContact OD2-CZ 3.04Å; D87-R92 IonicContact OD2-NE 3.65Å; D87-R92 PolarHBondContact OD2-NE 3.25Å; D87-R92 IonicContact OD2-NH2 3.78Å; D87-R92 PolarHBondContact OD2-NH2 3.06Å; D87-I100 WeakPolarHBondContact O-CD1 3.48Å
88	E	96.1	Very high	97.2	Very high	38 Å²	38	47.8 Å²	47.8	18%	0.178	25%	0.246	C	C	.	.	S	Bend	trans	-73.6	-40.1	168.5	175.6	55.7	-162.6	0	0	110.6	H75 D99 I100 S101	H75-E88 WeakPolarHBondContact CB-OE2 3.47Å; H75-E88 IonicContact CD2-OE2 3.88Å; H75-E88 IonicContact CE1-OE2 2.77Å; H75-E88 IonicContact CG-OE2 2.67Å; H75-E88 IonicContact ND1-OE2 3.16Å; H75-E88 PolarHBondContact ND1-OE2 3.1Å; H75-E88 PolarHBondContact NE2-N 3.25Å; E88-D99 HydrophobicContact CG-CB 4.1Å; E88-D99 CarbonylContact O-C 3.49Å; E88-D99 VanDerWaalsContact O-CA 3.31Å; E88-D99 WeakPolarHBondContact O-CA 3.48Å; E88-I100 WeakPolarHBondContact O-CG1 3.3Å; E88-I100 PolarHBondContact O-N 3.26Å; E88-I100 PolarHBondContact OE1-N 2.82Å; E88-S101 WeakPolarHBondContact OE1-CB 3.38Å; E88-S101 PolarHBondContact OE1-N 3.27Å; E88-S101 PolarHBondContact OE1-OG 3.4Å
89	N	97.8	Very high	97.2	Very high	51 Å²	51	44 Å²	44	27%	0.273	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-87.3	127.3	175.3	-173.9	-83.6	0	0	0	111.5	D87 K91 D97 D99	D87-N89 WeakPolarHBondContact CB-O 3.08Å; N89-K91 VanDerWaalsContact C-N 3.29Å; N89-K91 PolarHBondContact O-N 3.04Å; N89-K91 WeakPolarHBondContact OD1-CB 3.32Å; N89-K91 PolarHBondContact OD1-N 2.75Å; N89-D97 PolarHBondContact ND2-OD1 2.71Å; N89-D97 VanDerWaalsContact ND2-OD1 3.11Å; N89-D99 WeakPolarHBondContact CA-OD1 3.38Å; N89-D99 VanDerWaalsContact CB-OD1 3.27Å; N89-D99 WeakPolarHBondContact CB-OD1 3.35Å; N89-D99 PolarHBondContact ND2-OD1 3.24Å
90	L	97.4	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.6	-171.8	-67.3	168	0	0	0	114.5	R92 Q93 T94 G95 V96 K98 I100 L103 L108 P109 I133	L90-R92 PolarHBondContact O-N 3.06Å; L90-Q93 PolarHBondContact O-N 3.04Å; L90-Q93 VanDerWaalsContact O-N 3.11Å; L90-T94 HydrophobicContact CB-CG2 4.19Å; L90-T94 WeakPolarHBondContact CB-OG1 3.43Å; L90-T94 HydrophobicContact CD2-CG2 3.97Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 3.48Å; L90-T94 VanDerWaalsContact O-OG1 3.05Å; L90-G95 PolarHBondContact O-N 3.04Å; L90-V96 CarbonylContact C-O 3.19Å; L90-V96 WeakPolarHBondContact CB-O 3.43Å; L90-K98 WeakPolarHBondContact CB-O 3.42Å; L90-K98 PolarHBondContact N-O 2.92Å; L90-I100 HydrophobicContact CD1-CG1 4.34Å; L90-I100 HydrophobicContact CD2-CD1 4.15Å; L90-I100 HydrophobicContact CD2-CG1 3.75Å; L90-I100 HydrophobicContact CG-CG1 3.96Å; L90-L103 HydrophobicContact CD1-CD1 3.68Å; L90-L108 HydrophobicContact CD1-CD2 4.16Å; L90-P109 HydrophobicContact CD1-CG 4.03Å; L90-I133 HydrophobicContact CD2-CD1 3.66Å
91	K	97.2	Very high	97.1	Very high	111 Å²	111	42.5 Å²	42.5	48%	0.483	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-43.4	-170.3	-173.8	178.7	-163.4	155	0	113.7	N89 G95 V96 D97 K112	N89-K91 VanDerWaalsContact C-N 3.29Å; N89-K91 PolarHBondContact O-N 3.04Å; N89-K91 WeakPolarHBondContact OD1-CB 3.32Å; N89-K91 PolarHBondContact OD1-N 2.75Å; K91-G95 VanDerWaalsContact O-CA 3.24Å; K91-G95 WeakPolarHBondContact O-CA 3.46Å; K91-G95 PolarHBondContact O-N 2.8Å; K91-G95 VanDerWaalsContact O-N 3.1Å; K91-V96 VanDerWaalsContact CA-O 3.31Å; K91-V96 WeakPolarHBondContact CA-O 3.33Å; K91-V96 PolarHBondContact N-O 3.38Å; K91-D97 HydrophobicContact CD-CB 4.32Å; K91-D97 HydrophobicContact CG-CB 4.49Å; K91-D97 IonicContact NZ-OD2 2.79Å; K91-D97 PolarHBondContact NZ-OD2 3.26Å; K91-K112 PolarHBondContact O-NZ 2.97Å
92	R	94.9	Very high	97.1	Very high	81 Å²	81	41.8 Å²	41.8	31%	0.306	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-48.1	177.5	-176	-173.6	62	97	4.4	110.1	E53 D87 L90 K112	E53-R92 IonicContact OE1-CZ 3.53Å; E53-R92 IonicContact OE1-NH1 3.82Å; E53-R92 IonicContact OE1-NH2 3.69Å; E53-R92 PolarHBondContact OE1-NH2 2.88Å; E53-R92 IonicContact OE2-NH1 2.76Å; E53-R92 PolarHBondContact OE2-NH1 3.17Å; E53-R92 IonicContact OE2-NH2 3.08Å; D87-R92 IonicContact OD1-NE 3.7Å; D87-R92 IonicContact OD1-NH2 3.95Å; D87-R92 IonicContact OD2-CZ 3.04Å; D87-R92 IonicContact OD2-NE 3.65Å; D87-R92 PolarHBondContact OD2-NE 3.25Å; D87-R92 IonicContact OD2-NH2 3.78Å; D87-R92 PolarHBondContact OD2-NH2 3.06Å; L90-R92 PolarHBondContact O-N 3.06Å; R92-K112 WeakPolarHBondContact O-CE 3.28Å; R92-K112 PolarHBondContact O-NZ 2.87Å
93	Q	95.1	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-35.5	-166.6	-77.4	174.4	-44	0	0	114.1	E53 S85 L90 Y111 K112 L115	E53-Q93 PolarHBondContact OE1-NE2 3.05Å; S85-Q93 PolarHBondContact OG-NE2 2.78Å; S85-Q93 PolarHBondContact OG-OE1 3.39Å; L90-Q93 PolarHBondContact O-N 3.04Å; L90-Q93 VanDerWaalsContact O-N 3.11Å; Q93-Y111 HydrophobicContact CB-CD1 3.71Å; Q93-Y111 HydrophobicContact CB-CE1 3.66Å; Q93-Y111 HydrophobicContact CG-CD1 4.23Å; Q93-Y111 HydrophobicContact CG-CE1 3.84Å; Q93-Y111 CarbonylContact O-C 3.52Å; Q93-Y111 WeakPolarHBondContact O-CA 3.24Å; Q93-K112 PolarHBondContact O-N 2.84Å; Q93-L115 HydrophobicContact CG-CD1 4.46Å
94	T	96.1	Very high	97.1	Very high	21 Å²	21	44.2 Å²	44.2	13%	0.129	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-20.1	-171.6	77.4	0	0	0	0	112.2	L90 V96 P109 P110 Y111	L90-T94 HydrophobicContact CB-CG2 4.19Å; L90-T94 WeakPolarHBondContact CB-OG1 3.43Å; L90-T94 HydrophobicContact CD2-CG2 3.97Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 3.48Å; L90-T94 VanDerWaalsContact O-OG1 3.05Å; T94-V96 VanDerWaalsContact C-N 3.33Å; T94-V96 PolarHBondContact OG1-N 3.14Å; T94-P109 HydrophobicContact CG2-CB 4.46Å; T94-P109 HydrophobicContact CG2-CG 3.91Å; T94-P109 WeakPolarHBondContact OG1-CG 3.24Å; T94-P110 WeakPolarHBondContact CB-O 3.34Å; T94-Y111 HydrophobicContact CG2-CD1 4.44Å
95	G	96.8	Very high	97.1	Very high	47 Å²	47	46.5 Å²	46.5	49%	0.485	25%	0.252	S	S	.	.	S	Bend	trans	90.3	-6.4	-174.2	0	0	0	0	0	113.8	L90 K91	L90-G95 PolarHBondContact O-N 3.04Å; K91-G95 VanDerWaalsContact O-CA 3.24Å; K91-G95 WeakPolarHBondContact O-CA 3.46Å; K91-G95 PolarHBondContact O-N 2.8Å; K91-G95 VanDerWaalsContact O-N 3.1Å
96	V	97.3	Very high	97.1	Very high	55 Å²	55	54.4 Å²	54.4	33%	0.333	29%	0.289	S	S	.	.			trans	-91	123.2	177.5	-179.7	0	0	0	0	109.6	L90 K91 T94 K98 P109	L90-V96 CarbonylContact C-O 3.19Å; L90-V96 WeakPolarHBondContact CB-O 3.43Å; K91-V96 VanDerWaalsContact CA-O 3.31Å; K91-V96 WeakPolarHBondContact CA-O 3.33Å; K91-V96 PolarHBondContact N-O 3.38Å; T94-V96 VanDerWaalsContact C-N 3.33Å; T94-V96 PolarHBondContact OG1-N 3.14Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 HydrophobicContact CG1-CB 4.15Å; V96-K98 HydrophobicContact CG1-CD 4.2Å; V96-K98 HydrophobicContact CG1-CG 3.98Å; V96-K98 PolarHBondContact O-N 3.03Å; V96-P109 HydrophobicContact CB-CG 4.1Å; V96-P109 HydrophobicContact CG2-CB 4.02Å; V96-P109 HydrophobicContact CG2-CG 3.86Å
97	D	98	Very high	97.3	Very high	95 Å²	95	56.6 Å²	56.6	51%	0.508	30%	0.302	S	S	.	.			trans	-84.5	72.5	179.2	-157.7	-8.3	0	0	0	111	N89 K91	N89-D97 PolarHBondContact ND2-OD1 2.71Å; N89-D97 VanDerWaalsContact ND2-OD1 3.11Å; K91-D97 HydrophobicContact CD-CB 4.32Å; K91-D97 HydrophobicContact CG-CB 4.49Å; K91-D97 IonicContact NZ-OD2 2.79Å; K91-D97 PolarHBondContact NZ-OD2 3.26Å
98	K	98	Very high	97.4	Very high	107 Å²	107	56.3 Å²	56.3	47%	0.465	30%	0.3	S	S	.	.			trans	-143.6	150.6	175.7	-70.9	-171.6	178.4	-178.3	0	110.2	L90 V96 L103	L90-K98 WeakPolarHBondContact CB-O 3.42Å; L90-K98 PolarHBondContact N-O 2.92Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 HydrophobicContact CG1-CB 4.15Å; V96-K98 HydrophobicContact CG1-CD 4.2Å; V96-K98 HydrophobicContact CG1-CG 3.98Å; V96-K98 PolarHBondContact O-N 3.03Å; K98-L103 HydrophobicContact CB-CD1 4.3Å; K98-L103 HydrophobicContact CD-CD1 4.29Å; K98-L103 HydrophobicContact CD-CD2 3.75Å; K98-L103 HydrophobicContact CD-CG 4.27Å
99	D	98.3	Very high	97.5	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.374	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-85.2	144.3	174.2	-63.2	-14.4	0	0	0	110.3	E88 N89 S101 S102	E88-D99 HydrophobicContact CG-CB 4.1Å; E88-D99 CarbonylContact O-C 3.49Å; E88-D99 VanDerWaalsContact O-CA 3.31Å; E88-D99 WeakPolarHBondContact O-CA 3.48Å; N89-D99 WeakPolarHBondContact CA-OD1 3.38Å; N89-D99 VanDerWaalsContact CB-OD1 3.27Å; N89-D99 WeakPolarHBondContact CB-OD1 3.35Å; N89-D99 PolarHBondContact ND2-OD1 3.24Å; D99-S101 VanDerWaalsContact C-N 3.25Å; D99-S101 PolarHBondContact O-N 2.97Å; D99-S102 WeakPolarHBondContact O-CB 3.35Å; D99-S102 PolarHBondContact O-N 3Å; D99-S102 PolarHBondContact O-OG 2.88Å
100	I	98	Very high	97.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-56.2	-42.3	179.8	-72.4	169	0	0	0	110.9	H75 T77 V83 D87 E88 L90 S102 L103	H75-I100 HydrophobicContact CB-CB 4.4Å; H75-I100 HydrophobicContact CB-CD1 4.09Å; H75-I100 HydrophobicContact CB-CG2 4.07Å; T77-I100 HydrophobicContact CG2-CG2 4.07Å; V83-I100 HydrophobicContact CG2-CD1 4.31Å; V83-I100 HydrophobicContact CG2-CG2 3.54Å; D87-I100 WeakPolarHBondContact O-CD1 3.48Å; E88-I100 WeakPolarHBondContact O-CG1 3.3Å; E88-I100 PolarHBondContact O-N 3.26Å; E88-I100 PolarHBondContact OE1-N 2.82Å; L90-I100 HydrophobicContact CD1-CG1 4.34Å; L90-I100 HydrophobicContact CD2-CD1 4.15Å; L90-I100 HydrophobicContact CD2-CG1 3.75Å; L90-I100 HydrophobicContact CG-CG1 3.96Å; I100-S102 PolarHBondContact O-N 3.47Å; I100-L103 PolarHBondContact O-N 3.24Å
101	S	97.6	Very high	97.4	Very high	56 Å²	56	56.5 Å²	56.5	39%	0.392	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-60.2	-12.9	176.5	55.3	0	0	0	0	114.8	L76 K78 E88 D99	L76-S101 VanDerWaalsContact O-CA 3.28Å; L76-S101 WeakPolarHBondContact O-CA 3.36Å; K78-S101 WeakPolarHBondContact CB-O 3.46Å; E88-S101 WeakPolarHBondContact OE1-CB 3.38Å; E88-S101 PolarHBondContact OE1-N 3.27Å; E88-S101 PolarHBondContact OE1-OG 3.4Å; D99-S101 VanDerWaalsContact C-N 3.25Å; D99-S101 PolarHBondContact O-N 2.97Å
102	S	98.1	Very high	97.4	Very high	58 Å²	58	55 Å²	55	41%	0.406	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-92.9	-9	176.9	77.4	0	0	0	0	114.6	D99 I100	D99-S102 WeakPolarHBondContact O-CB 3.35Å; D99-S102 PolarHBondContact O-N 3Å; D99-S102 PolarHBondContact O-OG 2.88Å; I100-S102 PolarHBondContact O-N 3.47Å
103	L	98.4	Very high	97.2	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.073	32%	0.315	C	S	.	.	S	Bend	trans	-118.3	147.9	-172.9	-65	177.8	0	0	0	112.1	T77 K78 L90 K98 I100 D107 L108	T77-L103 WeakPolarHBondContact CB-O 3.4Å; K78-L103 VanDerWaalsContact CB-O 3.24Å; K78-L103 WeakPolarHBondContact CB-O 3.44Å; K78-L103 PolarHBondContact N-O 2.82Å; L90-L103 HydrophobicContact CD1-CD1 3.68Å; K98-L103 HydrophobicContact CB-CD1 4.3Å; K98-L103 HydrophobicContact CD-CD1 4.29Å; K98-L103 HydrophobicContact CD-CD2 3.75Å; K98-L103 HydrophobicContact CD-CG 4.27Å; I100-L103 PolarHBondContact O-N 3.24Å; L103-D107 HydrophobicContact CB-CB 4.39Å; L103-D107 HydrophobicContact CD2-CB 4.26Å; L103-L108 HydrophobicContact CB-CD2 4.09Å; L103-L108 HydrophobicContact CD1-CD2 4.1Å
104	N	98.6	Very high	97.1	Very high	46 Å²	46	63.9 Å²	63.9	25%	0.246	34%	0.34	C	S	.	.			trans	-74.8	161.2	165.1	-60.8	-29.5	0	0	0	109.6	D79 E106 D107	D79-N104 HydrophobicContact CB-CB 4.38Å; N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 HydrophobicContact CB-CG 4.32Å; N104-E106 PolarHBondContact O-N 3.14Å; N104-D107 PolarHBondContact O-N 3.26Å; N104-D107 VanDerWaalsContact O-N 3.09Å
105	L	98.3	Very high	97	Very high	49 Å²	49	63.3 Å²	63.3	26%	0.257	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.4	-42.4	-180	175.5	64.8	0	0	0	112.7	D79 H81 V83 D107 L108 L135	D79-L105 PolarHBondContact OD1-N 2.81Å; D79-L105 PolarHBondContact OD2-N 3.34Å; D79-L105 VanDerWaalsContact OD2-N 3.14Å; H81-L105 HydrophobicContact CB-CB 4.46Å; H81-L105 HydrophobicContact CB-CD2 4.43Å; V83-L105 HydrophobicContact CG1-CD1 3.9Å; L105-D107 PolarHBondContact O-N 2.81Å; L105-L108 HydrophobicContact CD1-CD1 4.02Å; L105-L108 WeakPolarHBondContact O-CB 3.48Å; L105-L108 PolarHBondContact O-N 2.66Å; L105-L135 HydrophobicContact CD1-CD2 3.74Å; L105-L135 HydrophobicContact CD1-CG 4.19Å; L105-L135 HydrophobicContact CD2-CD1 3.89Å; L105-L135 HydrophobicContact CD2-CD2 3.98Å; L105-L135 HydrophobicContact CD2-CG 4.28Å
106	E	97.7	Very high	96.7	Very high	165 Å²	165	66 Å²	66	77%	0.771	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-67.9	-22.7	-178.6	64.5	-176.7	171.2	0	0	113.7	N104 L108	N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 HydrophobicContact CB-CG 4.32Å; N104-E106 PolarHBondContact O-N 3.14Å; E106-L108 VanDerWaalsContact C-N 3.35Å
107	D	98.1	Very high	96.4	Very high	90 Å²	90	63.4 Å²	63.4	48%	0.481	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-89	-2.9	-179.3	-63.3	-48.3	0	0	0	112.7	L103 N104 L105 P109	L103-D107 HydrophobicContact CB-CB 4.39Å; L103-D107 HydrophobicContact CD2-CB 4.26Å; N104-D107 PolarHBondContact O-N 3.26Å; N104-D107 VanDerWaalsContact O-N 3.09Å; L105-D107 PolarHBondContact O-N 2.81Å; D107-P109 WeakPolarHBondContact O-CD 3.39Å
108	L	98.2	Very high	95.8	Very high	28 Å²	28	61.2 Å²	61.2	15%	0.147	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-67.6	122.5	-179	-71	180	0	0	0	110.8	T77 V83 L90 L103 L105 E106 I133	T77-L108 HydrophobicContact CG2-CD1 3.97Å; V83-L108 HydrophobicContact CG1-CD1 3.87Å; L90-L108 HydrophobicContact CD1-CD2 4.16Å; L103-L108 HydrophobicContact CB-CD2 4.09Å; L103-L108 HydrophobicContact CD1-CD2 4.1Å; L105-L108 HydrophobicContact CD1-CD1 4.02Å; L105-L108 WeakPolarHBondContact O-CB 3.48Å; L105-L108 PolarHBondContact O-N 2.66Å; E106-L108 VanDerWaalsContact C-N 3.35Å; L108-I133 HydrophobicContact CB-CD1 4.36Å; L108-I133 HydrophobicContact CD1-CB 4.4Å; L108-I133 HydrophobicContact CD1-CD1 4.26Å; L108-I133 HydrophobicContact CD2-CD1 4.43Å
109	P	97.6	Very high	95.1	Very high	24 Å²	24	57.1 Å²	57.1	16%	0.156	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-71.1	152.5	178.3	28	-31.9	0	0	0	111	L90 T94 V96 D107	L90-P109 HydrophobicContact CD1-CG 4.03Å; T94-P109 HydrophobicContact CG2-CB 4.46Å; T94-P109 HydrophobicContact CG2-CG 3.91Å; T94-P109 WeakPolarHBondContact OG1-CG 3.24Å; V96-P109 HydrophobicContact CB-CG 4.1Å; V96-P109 HydrophobicContact CG2-CB 4.02Å; V96-P109 HydrophobicContact CG2-CG 3.86Å; D107-P109 WeakPolarHBondContact O-CD 3.39Å
110	P	97.1	Very high	94.5	Very high	70 Å²	70	54.7 Å²	54.7	46%	0.455	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.5	151.5	172.7	29.6	-34.7	0	0	0	110.9	T94 R131	T94-P110 WeakPolarHBondContact CB-O 3.34Å; P110-R131 CarbonylContact C-O 3.29Å; P110-R131 WeakPolarHBondContact CA-O 3.3Å; P110-R131 HydrophobicContact CB-CB 3.88Å
111	Y	97.2	Very high	93.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-53	156.5	166.1	-73.3	-59.9	0	0	0	111.6	I52 T55 Q93 T94 L115 R131 I133	I52-Y111 HydrophobicContact CG2-CD1 4.46Å; I52-Y111 HydrophobicContact CG2-CD2 3.68Å; I52-Y111 HydrophobicContact CG2-CE2 4.4Å; I52-Y111 HydrophobicContact CG2-CG 3.72Å; T55-Y111 HydrophobicContact CG2-CD2 3.71Å; T55-Y111 HydrophobicContact CG2-CE2 3.85Å; Q93-Y111 HydrophobicContact CB-CD1 3.71Å; Q93-Y111 HydrophobicContact CB-CE1 3.66Å; Q93-Y111 HydrophobicContact CG-CD1 4.23Å; Q93-Y111 HydrophobicContact CG-CE1 3.84Å; Q93-Y111 CarbonylContact O-C 3.52Å; Q93-Y111 WeakPolarHBondContact O-CA 3.24Å; T94-Y111 HydrophobicContact CG2-CD1 4.44Å; Y111-L115 HydrophobicContact CD1-CD1 3.93Å; Y111-L115 HydrophobicContact CE1-CD1 4.48Å; Y111-L115 HydrophobicContact CG-CD1 4.44Å; Y111-R131 PolarHBondContact N-O 3.05Å; Y111-R131 PolarHBondContact O-NE 3.18Å; Y111-R131 PolarHBondContact O-NH2 2.79Å; Y111-I133 HydrophobicContact CD2-CG1 4.46Å; Y111-I133 HydrophobicContact CE1-CG1 4.28Å; Y111-I133 HydrophobicContact CE2-CB 4.44Å; Y111-I133 HydrophobicContact CE2-CG1 3.88Å
112	K	95.4	Very high	93	Very high	79 Å²	79	57.1 Å²	57.1	34%	0.343	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-61.4	159.4	163.7	-67.6	170.3	-176.2	163.4	0	110.1	I52 K91 R92 Q93 R114 L115	I52-K112 WeakPolarHBondContact CD1-O 3.33Å; K91-K112 PolarHBondContact O-NZ 2.97Å; R92-K112 WeakPolarHBondContact O-CE 3.28Å; R92-K112 PolarHBondContact O-NZ 2.87Å; Q93-K112 PolarHBondContact O-N 2.84Å; K112-R114 WeakPolarHBondContact CB-O 3.31Å; K112-R114 PolarHBondContact O-N 2.96Å; K112-L115 HydrophobicContact CB-CD2 4Å; K112-L115 HydrophobicContact CD-CD2 4.21Å
113	E	92.6	Very high	92.5	Very high	129 Å²	129	59 Å²	59	60%	0.603	31%	0.312	S	S	*	.	S	Bend	trans	-62.5	-27.9	177.4	-64.9	-179	-179.5	0	0	112.7	R131	E113-R131 IonicContact OE1-NH1 3.48Å
114	R	92.4	Very high	92.1	Very high	139 Å²	139	63.1 Å²	63.1	53%	0.525	33%	0.331	S	S	.	.			trans	-141.6	145.3	178.2	-60	-173.3	-170.7	172.2	1.3	110.2	K112 E124 N125	K112-R114 WeakPolarHBondContact CB-O 3.31Å; K112-R114 PolarHBondContact O-N 2.96Å; R114-E124 HydrophobicContact CB-CB 4.21Å; R114-E124 HydrophobicContact CB-CG 4.48Å; R114-E124 WeakPolarHBondContact CD-OE2 3.45Å; R114-E124 IonicContact NH1-OE2 3.98Å; R114-N125 WeakPolarHBondContact CA-OD1 3.45Å
115	L	93	Very high	91.6	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.042	32%	0.321	C	S	.	.			trans	-135	141.3	178.5	-63.9	178.4	0	0	0	108.3	I52 E53 Q93 Y111 K112 V117 E124 N125	I52-L115 HydrophobicContact CG2-CD1 4.01Å; E53-L115 HydrophobicContact CG-CD1 3.96Å; Q93-L115 HydrophobicContact CG-CD1 4.46Å; Y111-L115 HydrophobicContact CD1-CD1 3.93Å; Y111-L115 HydrophobicContact CE1-CD1 4.48Å; Y111-L115 HydrophobicContact CG-CD1 4.44Å; K112-L115 HydrophobicContact CB-CD2 4Å; K112-L115 HydrophobicContact CD-CD2 4.21Å; L115-V117 PolarHBondContact O-N 2.96Å; L115-E124 VanDerWaalsContact O-CA 3.25Å; L115-E124 WeakPolarHBondContact O-CA 3.34Å; L115-N125 WeakPolarHBondContact CA-OD1 3.23Å; L115-N125 PolarHBondContact N-OD1 3.08Å; L115-N125 PolarHBondContact O-N 2.99Å; L115-N125 PolarHBondContact O-OD1 2.87Å; L115-N125 VanDerWaalsContact O-OD1 3.1Å
116	E	91.1	Very high	91.1	Very high	104 Å²	104	65.8 Å²	65.8	49%	0.486	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-65.2	133.4	172.2	-175.9	173	-165.4	0	0	110.4	T118 G122	E116-T118 PolarHBondContact O-N 3.03Å; E116-G122 PolarHBondContact OE1-N 3.07Å
117	V	90.5	Very high	90.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	33%	0.329	C	S	.	.			trans	-76.9	110.7	174.6	-178.4	0	0	0	0	108.1	L115 F119 N120 H123 D301	L115-V117 PolarHBondContact O-N 2.96Å; V117-F119 PolarHBondContact O-N 3.05Å; V117-N120 HydrophobicContact CB-CB 4.17Å; V117-N120 HydrophobicContact CG1-CB 3.99Å; V117-N120 CarbonylContact O-C 3.51Å; V117-N120 PolarHBondContact O-N 2.94Å; V117-H123 PolarHBondContact N-O 3.01Å; V117-D301 HydrophobicContact CG1-CB 3.98Å
118	T	85.7	Confident	89.3	Confident	48 Å²	48	58.4 Å²	58.4	29%	0.294	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-35.7	-171.5	-58.6	0	0	0	0	113.9	R45 E116	R45-T118 PolarHBondContact NH1-OG1 3.02Å; R45-T118 PolarHBondContact NH2-OG1 3.29Å; E116-T118 PolarHBondContact O-N 3.03Å
119	F	83.9	Confident	88.8	Confident	22 Å²	22	63.3 Å²	63.3	10%	0.096	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	19.9	-176.4	-60.9	-83.4	0	0	0	115.1	H44 V117 T238 Y239 F279 V280	H44-F119 AromaticContact CE1-CD2 3.72Å; H44-F119 AromaticContact CE1-CE2 3.48Å; H44-F119 VanDerWaalsContact CE1-CE2 3.48Å; H44-F119 WeakPolarHBondContact CE1-CE2 3.36Å; H44-F119 AromaticContact NE2-CE2 3.82Å; V117-F119 PolarHBondContact O-N 3.05Å; F119-T238 CarbonylContact C-O 3.39Å; F119-T238 CarbonylContact O-C 3.4Å; F119-T238 WeakPolarHBondContact O-CB 3.25Å; F119-T238 VanDerWaalsContact O-O 3.14Å; F119-T238 PolarHBondContact O-OG1 3.09Å; F119-Y239 HydrophobicContact CD1-CD1 4.37Å; F119-Y239 AromaticContact CD1-CD2 3.46Å; F119-Y239 HydrophobicContact CD1-CD2 3.46Å; F119-Y239 VanDerWaalsContact CD1-CD2 3.46Å; F119-Y239 HydrophobicContact CD1-CE2 4.04Å; F119-Y239 AromaticContact CD1-CG 3.65Å; F119-Y239 HydrophobicContact CD1-CG 3.65Å; F119-Y239 HydrophobicContact CE1-CD1 4.42Å; F119-Y239 AromaticContact CE1-CD2 3.84Å; F119-Y239 HydrophobicContact CE1-CD2 3.84Å; F119-Y239 AromaticContact CE1-CE2 3.95Å; F119-Y239 HydrophobicContact CE1-CE2 3.95Å; F119-Y239 HydrophobicContact CE1-CG 4.08Å; F119-Y239 HydrophobicContact CG-CD2 4.33Å; F119-F279 HydrophobicContact CZ-CE2 4.17Å; F119-V280 HydrophobicContact CB-CB 4.16Å; F119-V280 HydrophobicContact CB-CG1 2.99Å; F119-V280 HydrophobicContact CB-CG2 4Å; F119-V280 HydrophobicContact CD1-CB 4.17Å; F119-V280 HydrophobicContact CD1-CG1 3.59Å; F119-V280 HydrophobicContact CD1-CG2 3.84Å; F119-V280 HydrophobicContact CD2-CB 4.28Å; F119-V280 HydrophobicContact CD2-CG1 3.95Å; F119-V280 HydrophobicContact CD2-CG2 3.25Å; F119-V280 HydrophobicContact CE1-CG1 4.47Å; F119-V280 HydrophobicContact CE1-CG2 4.05Å; F119-V280 HydrophobicContact CE2-CG2 3.49Å; F119-V280 VanDerWaalsContact CE2-CG2 3.49Å; F119-V280 HydrophobicContact CG-CB 3.98Å; F119-V280 HydrophobicContact CG-CG1 3.27Å; F119-V280 HydrophobicContact CG-CG2 3.45Å; F119-V280 VanDerWaalsContact CG-CG2 3.45Å; F119-V280 HydrophobicContact CZ-CG2 3.89Å
120	N	85.6	Confident	88.8	Confident	18 Å²	18	63.9 Å²	63.9	10%	0.096	35%	0.348	C	S	.	.	S	Bend	trans	-137.6	66.9	168.2	-164.6	16.7	0	0	0	109.1	V117 G122 H123 T238 Y302	V117-N120 HydrophobicContact CB-CB 4.17Å; V117-N120 HydrophobicContact CG1-CB 3.99Å; V117-N120 CarbonylContact O-C 3.51Å; V117-N120 PolarHBondContact O-N 2.94Å; N120-G122 PolarHBondContact O-N 2.92Å; N120-H123 HydrophobicContact CB-CB 4.22Å; N120-H123 VanDerWaalsContact CG-ND1 3.27Å; N120-H123 PolarHBondContact ND2-ND1 2.95Å; N120-H123 VanDerWaalsContact O-CB 3.28Å; N120-H123 WeakPolarHBondContact O-CB 3.3Å; N120-H123 PolarHBondContact O-N 2.99Å; N120-H123 PolarHBondContact O-ND1 3.33Å; N120-H123 PolarHBondContact OD1-CE1 3.02Å; N120-H123 PolarHBondContact OD1-ND1 2.98Å; N120-H123 VanDerWaalsContact OD1-ND1 3.11Å; N120-T238 WeakPolarHBondContact CA-O 3.17Å; N120-T238 PolarHBondContact N-O 3.09Å; N120-Y302 PolarHBondContact ND2-OH 3.26Å
121	A	81.7	Confident	88.7	Confident	37 Å²	37	64.4 Å²	64.4	31%	0.306	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	131.4	-172.3	0	0	0	0	0	112.6	H123 T238	A121-H123 VanDerWaalsContact C-N 3.31Å; A121-H123 PolarHBondContact O-ND1 2.94Å; A121-T238 PolarHBondContact N-O 3.37Å
122	G	82.2	Confident	88.7	Confident	70 Å²	70	72 Å²	72	72%	0.722	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	7.2	-175.5	0	0	0	0	0	115.4	E116 N120	E116-G122 PolarHBondContact OE1-N 3.07Å; N120-G122 PolarHBondContact O-N 2.92Å
123	H	86.5	Confident	88.8	Confident	97 Å²	97	69.1 Å²	69.1	45%	0.449	36%	0.363	S	S	.	.			trans	-112.6	141.1	170.1	-59.9	73.4	0	0	0	110.3	V117 N120 A121	V117-H123 PolarHBondContact N-O 3.01Å; N120-H123 HydrophobicContact CB-CB 4.22Å; N120-H123 VanDerWaalsContact CG-ND1 3.27Å; N120-H123 PolarHBondContact ND2-ND1 2.95Å; N120-H123 VanDerWaalsContact O-CB 3.28Å; N120-H123 WeakPolarHBondContact O-CB 3.3Å; N120-H123 PolarHBondContact O-N 2.99Å; N120-H123 PolarHBondContact O-ND1 3.33Å; N120-H123 PolarHBondContact OD1-CE1 3.02Å; N120-H123 PolarHBondContact OD1-ND1 2.98Å; N120-H123 VanDerWaalsContact OD1-ND1 3.11Å; A121-H123 VanDerWaalsContact C-N 3.31Å; A121-H123 PolarHBondContact O-ND1 2.94Å
124	E	90	Very high	89.1	Confident	102 Å²	102	63.3 Å²	63.3	48%	0.477	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-106.3	157.6	173.7	-61.3	-179.8	144.2	0	0	110.2	R114 L115	R114-E124 HydrophobicContact CB-CB 4.21Å; R114-E124 HydrophobicContact CB-CG 4.48Å; R114-E124 WeakPolarHBondContact CD-OE2 3.45Å; R114-E124 IonicContact NH1-OE2 3.98Å; L115-E124 VanDerWaalsContact O-CA 3.25Å; L115-E124 WeakPolarHBondContact O-CA 3.34Å
125	N	89.6	Confident	89.4	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.032	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-60.1	155.2	168.6	69.3	-82.1	0	0	0	111	S48 I52 R114 L115	S48-N125 WeakPolarHBondContact O-CB 3.44Å; I52-N125 WeakPolarHBondContact CG1-ND2 3.49Å; I52-N125 PolarHBondContact N-ND2 3.39Å; R114-N125 WeakPolarHBondContact CA-OD1 3.45Å; L115-N125 WeakPolarHBondContact CA-OD1 3.23Å; L115-N125 PolarHBondContact N-OD1 3.08Å; L115-N125 PolarHBondContact O-N 2.99Å; L115-N125 PolarHBondContact O-OD1 2.87Å; L115-N125 VanDerWaalsContact O-OD1 3.1Å
126	K	86.7	Confident	89.6	Confident	145 Å²	145	57.8 Å²	57.8	63%	0.63	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-66.5	142.5	166.5	-55.9	-179.8	179.5	176.1	0	109.4	E50 G128	E50-K126 WeakPolarHBondContact O-CB 3.37Å; K126-G128 PolarHBondContact O-N 2.82Å
127	S	78.1	Confident	90	Very high	80 Å²	80	55.3 Å²	55.3	56%	0.559	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-54.7	137.4	176.9	54.8	0	0	0	0	111.4
128	G	79.2	Confident	90.4	Very high	19 Å²	19	57.9 Å²	57.9	20%	0.196	32%	0.319	C	S	.	.			trans	-122.3	168.6	173.1	0	0	0	0	0	111.3	K126	K126-G128 PolarHBondContact O-N 2.82Å
129	T	89.6	Confident	91	Very high	132 Å²	132	55.6 Å²	55.6	81%	0.81	31%	0.305	S	S	*	.	S	Bend	trans	-91.2	-30.4	175.1	53.3	0	0	0	0	112.1	E57	E57-T129 PolarHBondContact OE2-N 3.31Å; E57-T129 PolarHBondContact OE2-OG1 2.91Å; E57-T129 VanDerWaalsContact OE2-OG1 3.13Å
130	D	95.7	Very high	91.7	Very high	35 Å²	35	54.6 Å²	54.6	19%	0.187	30%	0.301	C	S	.	.			trans	-83.4	119.2	175.6	-173	9.3	0	0	0	110.2	M56 E57 K132	M56-D130 PolarHBondContact N-OD2 2.87Å; M56-D130 VanDerWaalsContact N-OD2 3.08Å; E57-D130 HydrophobicContact CB-CB 3.52Å; E57-D130 PolarHBondContact N-OD2 3.4Å; E57-D130 PolarHBondContact OE2-N 3.45Å; D130-K132 PolarHBondContact OD1-N 2.71Å
131	R	96.3	Very high	92.4	Very high	82 Å²	82	60.4 Å²	60.4	31%	0.309	32%	0.321	S	S	.	.			trans	-120.2	10.5	177.5	-64.4	171.8	58.2	-176.2	-4.6	111.4	I52 P110 Y111 E113	I52-R131 HydrophobicContact CD1-CG 3.85Å; P110-R131 CarbonylContact C-O 3.29Å; P110-R131 WeakPolarHBondContact CA-O 3.3Å; P110-R131 HydrophobicContact CB-CB 3.88Å; Y111-R131 PolarHBondContact N-O 3.05Å; Y111-R131 PolarHBondContact O-NE 3.18Å; Y111-R131 PolarHBondContact O-NH2 2.79Å; E113-R131 IonicContact OE1-NH1 3.48Å
132	K	97.2	Very high	93.2	Very high	159 Å²	159	63.7 Å²	63.7	69%	0.691	33%	0.329	S	S	*	.	S	Bend	trans	-86.1	140.8	-177.8	-64	-176	179.2	-175.9	0	110.4	D130 A134	D130-K132 PolarHBondContact OD1-N 2.71Å; K132-A134 PolarHBondContact O-N 3.28Å
133	I	97.5	Very high	93.9	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.097	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-66.6	125.1	167.4	-56.5	-178.1	0	0	0	107.3	V83 V84 L90 L108 Y111	V83-I133 HydrophobicContact CB-CG2 3.9Å; V83-I133 HydrophobicContact CG1-CG2 4.49Å; V83-I133 HydrophobicContact CG2-CG2 4.42Å; V84-I133 WeakPolarHBondContact O-CG2 3.48Å; L90-I133 HydrophobicContact CD2-CD1 3.66Å; L108-I133 HydrophobicContact CB-CD1 4.36Å; L108-I133 HydrophobicContact CD1-CB 4.4Å; L108-I133 HydrophobicContact CD1-CD1 4.26Å; L108-I133 HydrophobicContact CD2-CD1 4.43Å; Y111-I133 HydrophobicContact CD2-CG1 4.46Å; Y111-I133 HydrophobicContact CE1-CG1 4.28Å; Y111-I133 HydrophobicContact CE2-CB 4.44Å; Y111-I133 HydrophobicContact CE2-CG1 3.88Å
134	A	98.2	Very high	94.5	Very high	6 Å²	6	60.4 Å²	60.4	5%	0.05	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	147.9	-176.3	0	0	0	0	0	111.9	N54 M56 F59 V83 V84 K132 V139	N54-A134 VanDerWaalsContact O-CB 3.3Å; N54-A134 WeakPolarHBondContact O-CB 3.43Å; M56-A134 HydrophobicContact CG-CB 4.1Å; M56-A134 HydrophobicContact SD-CB 4.08Å; F59-A134 HydrophobicContact CE2-CB 4.2Å; V83-A134 WeakPolarHBondContact CA-O 3.5Å; V84-A134 HydrophobicContact CB-CB 4.38Å; V84-A134 HydrophobicContact CG2-CB 4.48Å; V84-A134 PolarHBondContact N-O 3.45Å; K132-A134 PolarHBondContact O-N 3.28Å; A134-V139 HydrophobicContact CB-CG2 4.36Å
135	L	98.7	Very high	94.9	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.9	164	-75.6	172.9	0	0	0	110.2	H81 V83 L105 E137 D138 V139	H81-L135 HydrophobicContact CB-CD2 3.83Å; V83-L135 HydrophobicContact CG1-CD2 3.95Å; L105-L135 HydrophobicContact CD1-CD2 3.74Å; L105-L135 HydrophobicContact CD1-CG 4.19Å; L105-L135 HydrophobicContact CD2-CD1 3.89Å; L105-L135 HydrophobicContact CD2-CD2 3.98Å; L105-L135 HydrophobicContact CD2-CG 4.28Å; L135-E137 PolarHBondContact O-N 2.99Å; L135-D138 HydrophobicContact CB-CB 4.23Å; L135-D138 PolarHBondContact O-N 3.48Å; L135-D138 VanDerWaalsContact O-N 3.11Å; L135-V139 PolarHBondContact O-N 2.82Å
136	L	98.8	Very high	95.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-37.6	175.6	-178.4	64	0	0	0	111.5	M72 V82 V84 D138 V139 F140 I150 V163 L166	M72-L136 HydrophobicContact SD-CD1 3.59Å; M72-L136 VanDerWaalsContact SD-CD1 3.59Å; V82-L136 HydrophobicContact CB-CB 4.14Å; V82-L136 HydrophobicContact CB-CD2 4.4Å; V82-L136 HydrophobicContact CG1-CB 3.82Å; V82-L136 HydrophobicContact CG1-CD2 3.7Å; V82-L136 HydrophobicContact CG1-CG 4.41Å; V82-L136 PolarHBondContact O-N 3.11Å; V84-L136 HydrophobicContact CG2-CB 4.08Å; V84-L136 HydrophobicContact CG2-CD1 4.26Å; L136-D138 VanDerWaalsContact C-N 3.32Å; L136-D138 PolarHBondContact O-N 2.77Å; L136-V139 WeakPolarHBondContact O-CB 3.39Å; L136-V139 PolarHBondContact O-N 3.28Å; L136-F140 HydrophobicContact CD1-CD1 4.05Å; L136-F140 HydrophobicContact CD1-CE1 3.4Å; L136-F140 HydrophobicContact CD1-CZ 3.74Å; L136-F140 HydrophobicContact CD2-CE1 4.36Å; L136-F140 HydrophobicContact CD2-CE2 4.21Å; L136-F140 HydrophobicContact CD2-CZ 3.83Å; L136-F140 HydrophobicContact CG-CD1 4.29Å; L136-F140 HydrophobicContact CG-CE1 3.78Å; L136-F140 HydrophobicContact CG-CE2 4.12Å; L136-F140 HydrophobicContact CG-CZ 3.7Å; L136-F140 WeakPolarHBondContact O-CD1 3.26Å; L136-F140 WeakPolarHBondContact O-CG 3.25Å; L136-F140 PolarHBondContact O-N 3.1Å; L136-I150 HydrophobicContact CD1-CD1 3.91Å; L136-I150 HydrophobicContact CD2-CD1 3.83Å; L136-I150 HydrophobicContact CG-CD1 4.5Å; L136-V163 HydrophobicContact CD2-CB 4.46Å; L136-V163 HydrophobicContact CD2-CG1 4.26Å; L136-V163 HydrophobicContact CD2-CG2 3.91Å; L136-L166 HydrophobicContact CB-CD1 4.3Å; L136-L166 HydrophobicContact CD2-CD1 4Å; L136-L166 HydrophobicContact CG-CD1 4.3Å
137	E	98.8	Very high	95.9	Very high	51 Å²	51	59.4 Å²	59.4	24%	0.238	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-38.6	177.6	-176.1	159	-155.4	0	0	112.5	L135 F140 R141 L166 R169 Y170	L135-E137 PolarHBondContact O-N 2.99Å; E137-F140 PolarHBondContact O-N 2.96Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 PolarHBondContact O-N 3.12Å; E137-L166 HydrophobicContact CB-CD1 4.45Å; E137-L166 HydrophobicContact CB-CD2 3.88Å; E137-L166 HydrophobicContact CG-CD2 3.97Å; E137-R169 IonicContact OE1-NH1 3.9Å; E137-R169 PolarHBondContact OE1-NH1 2.62Å; E137-R169 IonicContact OE2-NH1 2.98Å; E137-R169 PolarHBondContact OE2-NH1 3.04Å; E137-Y170 HydrophobicContact CG-CE2 3.7Å; E137-Y170 WeakPolarHBondContact CG-OH 2.93Å; E137-Y170 VanDerWaalsContact OE1-CE2 3.3Å; E137-Y170 WeakPolarHBondContact OE1-CE2 3.36Å; E137-Y170 PolarHBondContact OE1-OH 2.7Å
138	D	98.8	Very high	96.8	Very high	56 Å²	56	55.7 Å²	55.7	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-69.5	-37.1	177.3	-70.7	-25.4	0	0	0	111.8	M56 L135 L136 F140 R141 K142	M56-D138 HydrophobicContact SD-CB 4.44Å; L135-D138 HydrophobicContact CB-CB 4.23Å; L135-D138 PolarHBondContact O-N 3.48Å; L135-D138 VanDerWaalsContact O-N 3.11Å; L136-D138 VanDerWaalsContact C-N 3.32Å; L136-D138 PolarHBondContact O-N 2.77Å; D138-F140 VanDerWaalsContact C-N 3.31Å; D138-F140 PolarHBondContact O-N 2.8Å; D138-R141 PolarHBondContact O-N 3.17Å; D138-R141 IonicContact OD1-CZ 3.6Å; D138-R141 IonicContact OD1-NH1 2.72Å; D138-R141 PolarHBondContact OD1-NH1 3.02Å; D138-R141 IonicContact OD1-NH2 3.88Å; D138-K142 WeakPolarHBondContact O-CB 3.37Å; D138-K142 PolarHBondContact O-N 2.89Å
139	V	98.8	Very high	97.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-44.7	170.8	179.7	0	0	0	0	110.1	M56 F59 L70 M72 V84 A134 L135 L136 K142 F143	M56-V139 HydrophobicContact SD-CG2 3.66Å; F59-V139 HydrophobicContact CD2-CG1 4.5Å; F59-V139 HydrophobicContact CD2-CG2 3.71Å; F59-V139 HydrophobicContact CE2-CG2 3.62Å; L70-V139 HydrophobicContact CD1-CG1 4.43Å; M72-V139 HydrophobicContact CE-CG1 4.01Å; V84-V139 HydrophobicContact CG2-CG2 4.32Å; A134-V139 HydrophobicContact CB-CG2 4.36Å; L135-V139 PolarHBondContact O-N 2.82Å; L136-V139 WeakPolarHBondContact O-CB 3.39Å; L136-V139 PolarHBondContact O-N 3.28Å; V139-K142 PolarHBondContact O-N 3.48Å; V139-F143 HydrophobicContact CG1-CD2 4.16Å; V139-F143 PolarHBondContact O-N 3.39Å
140	F	98.7	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-42.3	179.3	-72	2.6	0	0	0	112.6	L136 E137 D138 F143 P144 V148 I150 L166 Y170 R172 T176	L136-F140 HydrophobicContact CD1-CD1 4.05Å; L136-F140 HydrophobicContact CD1-CE1 3.4Å; L136-F140 HydrophobicContact CD1-CZ 3.74Å; L136-F140 HydrophobicContact CD2-CE1 4.36Å; L136-F140 HydrophobicContact CD2-CE2 4.21Å; L136-F140 HydrophobicContact CD2-CZ 3.83Å; L136-F140 HydrophobicContact CG-CD1 4.29Å; L136-F140 HydrophobicContact CG-CE1 3.78Å; L136-F140 HydrophobicContact CG-CE2 4.12Å; L136-F140 HydrophobicContact CG-CZ 3.7Å; L136-F140 WeakPolarHBondContact O-CD1 3.26Å; L136-F140 WeakPolarHBondContact O-CG 3.25Å; L136-F140 PolarHBondContact O-N 3.1Å; E137-F140 PolarHBondContact O-N 2.96Å; D138-F140 VanDerWaalsContact C-N 3.31Å; D138-F140 PolarHBondContact O-N 2.8Å; F140-F143 CarbonylContact O-C 3.5Å; F140-P144 WeakPolarHBondContact O-CA 3.31Å; F140-V148 HydrophobicContact CE1-CG2 3.92Å; F140-V148 HydrophobicContact CZ-CG2 4.45Å; F140-I150 HydrophobicContact CE1-CD1 4.31Å; F140-I150 HydrophobicContact CZ-CD1 3.92Å; F140-L166 HydrophobicContact CD2-CB 3.97Å; F140-L166 HydrophobicContact CE2-CB 3.69Å; F140-Y170 HydrophobicContact CB-CD1 4.21Å; F140-Y170 HydrophobicContact CB-CD2 4.28Å; F140-Y170 HydrophobicContact CB-CG 4.07Å; F140-Y170 HydrophobicContact CD2-CD2 4.15Å; F140-Y170 HydrophobicContact CD2-CG 4.41Å; F140-R172 VanDerWaalsContact CD1-CZ 3.49Å; F140-R172 VanDerWaalsContact CD1-NH1 3.34Å; F140-R172 HydrophobicContact CE2-CG 4.49Å; F140-T176 HydrophobicContact CZ-CG2 4.24Å
141	R	98.7	Very high	98.3	Very high	140 Å²	140	49 Å²	49	53%	0.528	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-44.8	178.3	-169.1	-176.3	-58.2	126.3	6.1	111.8	E137 D138 Y170	E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 PolarHBondContact O-N 3.12Å; D138-R141 PolarHBondContact O-N 3.17Å; D138-R141 IonicContact OD1-CZ 3.6Å; D138-R141 IonicContact OD1-NH1 2.72Å; D138-R141 PolarHBondContact OD1-NH1 3.02Å; D138-R141 IonicContact OD1-NH2 3.88Å; R141-Y170 HydrophobicContact CB-CE1 4.17Å
142	K	98.6	Very high	98.3	Very high	106 Å²	106	45.1 Å²	45.1	46%	0.461	21%	0.21	S	C	.	.	H	α-helix	trans	-73.4	-35.1	-178	-167.5	174.7	-179.6	174.2	0	112.3	M56 T60 D138 V139 P144	M56-K142 HydrophobicContact CE-CB 3.82Å; M56-K142 HydrophobicContact CE-CD 3.29Å; M56-K142 HydrophobicContact CE-CG 4.15Å; T60-K142 WeakPolarHBondContact OG1-CE 3.46Å; T60-K142 PolarHBondContact OG1-NZ 3.32Å; D138-K142 WeakPolarHBondContact O-CB 3.37Å; D138-K142 PolarHBondContact O-N 2.89Å; V139-K142 PolarHBondContact O-N 3.48Å; K142-P144 VanDerWaalsContact C-CD 3.42Å; K142-P144 WeakPolarHBondContact O-CD 3.45Å
143	F	98.5	Very high	98.1	Very high	21 Å²	21	40.6 Å²	40.6	9%	0.092	19%	0.191	C	C	.	.			trans	-124.4	66.1	-175.2	-48.7	-62.5	0	0	0	112.1	M56 F59 I63 L70 V139 F140 K145 I146 R172	M56-F143 HydrophobicContact CE-CE2 3.84Å; M56-F143 HydrophobicContact CE-CZ 4.48Å; F59-F143 HydrophobicContact CB-CD2 4.48Å; F59-F143 HydrophobicContact CB-CE2 3.66Å; F59-F143 HydrophobicContact CB-CZ 4.25Å; I63-F143 HydrophobicContact CD1-CB 4.04Å; I63-F143 HydrophobicContact CD1-CD1 3.17Å; I63-F143 HydrophobicContact CD1-CD2 3.79Å; I63-F143 HydrophobicContact CD1-CE1 3.35Å; I63-F143 HydrophobicContact CD1-CE2 3.96Å; I63-F143 HydrophobicContact CD1-CG 3.38Å; I63-F143 HydrophobicContact CD1-CZ 3.73Å; L70-F143 HydrophobicContact CD1-CD2 4.28Å; V139-F143 HydrophobicContact CG1-CD2 4.16Å; V139-F143 PolarHBondContact O-N 3.39Å; F140-F143 CarbonylContact O-C 3.5Å; F143-K145 PolarHBondContact O-N 3.46Å; F143-I146 HydrophobicContact CB-CB 3.99Å; F143-I146 HydrophobicContact CB-CG1 3.93Å; F143-I146 PolarHBondContact O-N 3.11Å; F143-R172 PolarHBondContact O-NH1 3.37Å
144	P	98.2	Very high	97.9	Very high	77 Å²	77	41.7 Å²	41.7	50%	0.5	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.3	-170.6	26.7	-35.8	0	0	0	113.7	F140 K142	F140-P144 WeakPolarHBondContact O-CA 3.31Å; K142-P144 VanDerWaalsContact C-CD 3.42Å; K142-P144 WeakPolarHBondContact O-CD 3.45Å
145	K	97.8	Very high	97.8	Very high	184 Å²	184	45.6 Å²	45.6	80%	0.8	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-2	-176.3	-62.5	-179.1	-177.4	174.2	0	113.9	F143 P147	F143-K145 PolarHBondContact O-N 3.46Å; K145-P147 WeakPolarHBondContact O-CD 3.24Å
146	I	98.5	Very high	97.7	Very high	36 Å²	36	45.8 Å²	45.8	19%	0.185	22%	0.217	C	C	.	.	S	Bend	trans	-90	120.4	-178.5	-59.9	-62.1	0	0	0	108.5	I63 L70 F143 R172	I63-I146 HydrophobicContact CD1-CB 4.4Å; I63-I146 HydrophobicContact CD1-CG1 3.85Å; I63-I146 HydrophobicContact CD1-CG2 4.23Å; I63-I146 HydrophobicContact CG1-CG1 4.35Å; I63-I146 HydrophobicContact CG1-CG2 4.48Å; L70-I146 HydrophobicContact CD1-CG2 4.46Å; L70-I146 HydrophobicContact CG-CG2 4.13Å; F143-I146 HydrophobicContact CB-CB 3.99Å; F143-I146 HydrophobicContact CB-CG1 3.93Å; F143-I146 PolarHBondContact O-N 3.11Å; I146-R172 PolarHBondContact O-NH2 3.23Å
147	P	98.7	Very high	97.7	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.078	23%	0.233	C	C	.	.			trans	-54.6	145.5	171.6	-26.4	33.3	0	0	0	112.6	F37 Q68 M69 L70 K145 I175	F37-P147 HydrophobicContact CB-CB 4.31Å; F37-P147 HydrophobicContact CB-CG 3.58Å; F37-P147 HydrophobicContact CD1-CB 4.3Å; F37-P147 HydrophobicContact CD1-CG 4.38Å; F37-P147 HydrophobicContact CD2-CB 4Å; F37-P147 HydrophobicContact CD2-CG 4.12Å; F37-P147 HydrophobicContact CE2-CB 4.34Å; F37-P147 HydrophobicContact CG-CB 3.96Å; F37-P147 HydrophobicContact CG-CG 3.79Å; Q68-P147 WeakPolarHBondContact O-CD 3.49Å; M69-P147 WeakPolarHBondContact CA-O 3.41Å; M69-P147 HydrophobicContact CB-CB 4.34Å; M69-P147 HydrophobicContact CG-CB 4.07Å; M69-P147 WeakPolarHBondContact CG-O 3.27Å; M69-P147 HydrophobicContact SD-CB 4.48Å; L70-P147 PolarHBondContact N-O 2.9Å; L70-P147 VanDerWaalsContact N-O 3.08Å; K145-P147 WeakPolarHBondContact O-CD 3.24Å; P147-I175 CarbonylContact C-O 3.26Å; P147-I175 WeakPolarHBondContact CA-O 3.27Å; P147-I175 HydrophobicContact CB-CB 4.32Å; P147-I175 HydrophobicContact CG-CB 4.28Å
148	V	98.7	Very high	97.6	Very high	2 Å²	2	50 Å²	50	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.7	175.9	-63	0	0	0	0	110.5	L70 M72 F140 I150 I175 T176 L177	L70-V148 HydrophobicContact CB-CG1 4.4Å; L70-V148 CarbonylContact O-C 3.54Å; L70-V148 VanDerWaalsContact O-CA 3.24Å; L70-V148 WeakPolarHBondContact O-CA 3.43Å; M72-V148 HydrophobicContact CE-CB 3.92Å; M72-V148 HydrophobicContact CE-CG1 3.59Å; F140-V148 HydrophobicContact CE1-CG2 3.92Å; F140-V148 HydrophobicContact CZ-CG2 4.45Å; V148-I150 HydrophobicContact CB-CG1 4.5Å; V148-I150 HydrophobicContact CG2-CD1 4.12Å; V148-I150 HydrophobicContact CG2-CG1 4.05Å; V148-I175 PolarHBondContact N-O 3.28Å; V148-T176 HydrophobicContact CG2-CG2 3.63Å; V148-L177 PolarHBondContact O-N 2.77Å
149	S	98.4	Very high	97.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.6	167.1	177.4	0	0	0	0	107.9	M69 L70 M72 Q228	M69-S149 VanDerWaalsContact CE-CB 3.5Å; L70-S149 PolarHBondContact O-N 2.96Å; M72-S149 PolarHBondContact N-O 3.09Å; M72-S149 VanDerWaalsContact O-O 3.1Å; S149-Q228 PolarHBondContact OG-NE2 3.02Å
150	I	98.6	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.3	-178.3	-61.6	176.7	0	0	0	108.3	M72 C74 L136 F140 V148 I152 V163 T176 L177 A179	M72-I150 HydrophobicContact CG-CG1 4.2Å; M72-I150 CarbonylContact O-C 3.44Å; M72-I150 WeakPolarHBondContact O-CA 3.3Å; M72-I150 HydrophobicContact SD-CG1 4.41Å; C74-I150 HydrophobicContact CB-CG2 3.99Å; L136-I150 HydrophobicContact CD1-CD1 3.91Å; L136-I150 HydrophobicContact CD2-CD1 3.83Å; L136-I150 HydrophobicContact CG-CD1 4.5Å; F140-I150 HydrophobicContact CE1-CD1 4.31Å; F140-I150 HydrophobicContact CZ-CD1 3.92Å; V148-I150 HydrophobicContact CB-CG1 4.5Å; V148-I150 HydrophobicContact CG2-CD1 4.12Å; V148-I150 HydrophobicContact CG2-CG1 4.05Å; I150-I152 HydrophobicContact CG2-CD1 3.86Å; I150-V163 HydrophobicContact CD1-CG1 3.74Å; I150-V163 HydrophobicContact CG2-CG1 4.42Å; I150-T176 HydrophobicContact CD1-CG2 3.55Å; I150-T176 HydrophobicContact CG1-CG2 4.26Å; I150-L177 PolarHBondContact N-O 3.27Å; I150-A179 PolarHBondContact O-N 3.3Å
151	E	97.6	Very high	97.6	Very high	45 Å²	45	53.2 Å²	53.2	21%	0.21	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.3	171.1	-168.3	171.2	149.1	0	0	110.7	M72 C74 K153 A179	M72-E151 PolarHBondContact O-N 2.91Å; C74-E151 PolarHBondContact N-O 3.09Å; E151-K153 HydrophobicContact CG-CG 4.06Å; E151-K153 WeakPolarHBondContact OE1-CE 3.28Å; E151-A179 WeakPolarHBondContact CA-O 3.25Å; E151-A179 HydrophobicContact CB-CB 4.4Å
152	I	97.8	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.3	169.8	-55.1	-59.8	0	0	0	108.1	I150 E154 L159 M160 V163 W178 A179 S180 I185	I150-I152 HydrophobicContact CG2-CD1 3.86Å; I152-E154 WeakPolarHBondContact CG2-O 3.31Å; I152-L159 HydrophobicContact CD1-CD2 4.07Å; I152-L159 HydrophobicContact CD1-CG 4.16Å; I152-L159 HydrophobicContact CG2-CD2 4.32Å; I152-M160 HydrophobicContact CG2-CE 4.12Å; I152-M160 HydrophobicContact CG2-CG 4.35Å; I152-V163 HydrophobicContact CD1-CG2 4.38Å; I152-W178 HydrophobicContact CD1-CZ3 4.06Å; I152-W178 HydrophobicContact CG1-CE3 3.97Å; I152-W178 HydrophobicContact CG1-CZ3 3.82Å; I152-A179 PolarHBondContact N-O 3.1Å; I152-S180 VanDerWaalsContact O-CB 3.31Å; I152-S180 WeakPolarHBondContact O-CB 3.34Å; I152-S180 PolarHBondContact O-OG 3.09Å; I152-I185 HydrophobicContact CB-CG2 4.01Å; I152-I185 HydrophobicContact CG2-CG2 3.64Å
153	K	91.6	Very high	97.6	Very high	64 Å²	64	44.5 Å²	44.5	28%	0.278	22%	0.216	S	C	.	.			trans	-100	-16.5	-174.6	-70.1	-177.3	172.3	161	0	114.4	D73 H86 E151	D73-K153 VanDerWaalsContact CG-NZ 3.26Å; D73-K153 WeakPolarHBondContact OD1-CE 3.42Å; D73-K153 IonicContact OD1-NZ 2.72Å; D73-K153 PolarHBondContact OD1-NZ 2.97Å; D73-K153 IonicContact OD2-NZ 3.82Å; H86-K153 PolarHBondContact CD2-NZ 3.24Å; H86-K153 PolarHBondContact CE1-NZ 3.11Å; H86-K153 PolarHBondContact NE2-NZ 3.33Å; H86-K153 PolarHBondContact O-NZ 3.38Å; E151-K153 HydrophobicContact CG-CG 4.06Å; E151-K153 WeakPolarHBondContact OE1-CE 3.28Å
154	E	93.6	Very high	97.7	Very high	43 Å²	43	43.5 Å²	43.5	20%	0.201	21%	0.211	C	C	.	.	S	Bend	trans	-119.6	148	-175.1	53.1	170.6	-151.6	0	0	111.7	I152 N156 L159	I152-E154 WeakPolarHBondContact CG2-O 3.31Å; E154-N156 HydrophobicContact CB-CB 4.44Å; E154-N156 HydrophobicContact CG-CB 3.78Å; E154-N156 PolarHBondContact O-N 3.18Å; E154-N156 WeakPolarHBondContact OE1-CB 3.36Å; E154-N156 PolarHBondContact OE1-ND2 3.02Å; E154-L159 HydrophobicContact CG-CD2 3.91Å; E154-L159 WeakPolarHBondContact OE1-CD2 3.38Å
155	D	96.3	Very high	97.7	Very high	88 Å²	88	42.1 Å²	42.1	47%	0.471	20%	0.202	S	C	.	.			trans	-78.1	69	171.8	-172.5	17.9	0	0	0	110.2	P157 I185 K188	D155-P157 WeakPolarHBondContact O-CD 3.39Å; D155-I185 HydrophobicContact CB-CG1 4.31Å; D155-K188 VanDerWaalsContact OD1-CD 3.22Å; D155-K188 WeakPolarHBondContact OD1-CD 3.29Å; D155-K188 WeakPolarHBondContact OD1-CE 3.43Å; D155-K188 IonicContact OD1-NZ 2.7Å; D155-K188 PolarHBondContact OD1-NZ 3.48Å; D155-K188 IonicContact OD2-NZ 3.77Å; D155-K188 PolarHBondContact OD2-NZ 2.89Å
156	N	97.1	Very high	97.7	Very high	35 Å²	35	33.8 Å²	33.8	19%	0.187	17%	0.166	C	C	.	.			trans	-117.6	95.2	-178.2	-174.7	-18	0	0	0	110.6	E154 Q158 L159 M160	E154-N156 HydrophobicContact CB-CB 4.44Å; E154-N156 HydrophobicContact CG-CB 3.78Å; E154-N156 PolarHBondContact O-N 3.18Å; E154-N156 WeakPolarHBondContact OE1-CB 3.36Å; E154-N156 PolarHBondContact OE1-ND2 3.02Å; N156-Q158 PolarHBondContact O-N 3.27Å; N156-Q158 WeakPolarHBondContact OD1-CB 3.46Å; N156-Q158 PolarHBondContact OD1-N 2.9Å; N156-L159 HydrophobicContact CB-CB 3.9Å; N156-L159 PolarHBondContact O-N 2.81Å; N156-L159 PolarHBondContact OD1-N 3.49Å; N156-L159 VanDerWaalsContact OD1-N 3.11Å; N156-M160 WeakPolarHBondContact O-CG 3.38Å; N156-M160 PolarHBondContact O-N 2.85Å; N156-M160 VanDerWaalsContact O-N 3.13Å
157	P	97.4	Very high	97.7	Very high	53 Å²	53	32.1 Å²	32.1	34%	0.344	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-24.8	178.8	-26.6	35.7	0	0	0	114.2	D155 R161	D155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-R161 WeakPolarHBondContact O-CB 3.4Å; P157-R161 VanDerWaalsContact O-CG 3.31Å; P157-R161 WeakPolarHBondContact O-CG 3.21Å; P157-R161 VanDerWaalsContact O-CZ 3.27Å; P157-R161 PolarHBondContact O-N 2.88Å; P157-R161 VanDerWaalsContact O-N 3.1Å; P157-R161 PolarHBondContact O-NH1 2.85Å
158	Q	98.3	Very high	97.7	Very high	88 Å²	88	37 Å²	37	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-71.2	-49.3	176.3	-174.7	175.9	-14	0	0	110.4	L76 N156 M160 R161 E162	L76-Q158 HydrophobicContact CD2-CB 4.04Å; L76-Q158 HydrophobicContact CD2-CG 3.62Å; N156-Q158 PolarHBondContact O-N 3.27Å; N156-Q158 WeakPolarHBondContact OD1-CB 3.46Å; N156-Q158 PolarHBondContact OD1-N 2.9Å; Q158-M160 VanDerWaalsContact C-N 3.3Å; Q158-M160 PolarHBondContact O-N 3.13Å; Q158-R161 PolarHBondContact O-N 2.9Å; Q158-R161 VanDerWaalsContact O-N 3.09Å; Q158-E162 HydrophobicContact CG-CG 4.48Å; Q158-E162 WeakPolarHBondContact O-CG 3.41Å; Q158-E162 PolarHBondContact O-N 3.31Å
159	L	98.6	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-52.3	-48.5	173.2	174.3	60.2	0	0	0	111.7	C74 L76 V82 I152 E154 N156 R161 E162 V163	C74-L159 HydrophobicContact CB-CD1 4.3Å; C74-L159 WeakPolarHBondContact O-CD2 3.48Å; L76-L159 HydrophobicContact CB-CB 4.28Å; L76-L159 HydrophobicContact CB-CD1 4.28Å; L76-L159 HydrophobicContact CD1-CD1 4.43Å; V82-L159 HydrophobicContact CG1-CD1 3.84Å; V82-L159 HydrophobicContact CG2-CD1 4.16Å; I152-L159 HydrophobicContact CD1-CD2 4.07Å; I152-L159 HydrophobicContact CD1-CG 4.16Å; I152-L159 HydrophobicContact CG2-CD2 4.32Å; E154-L159 HydrophobicContact CG-CD2 3.91Å; E154-L159 WeakPolarHBondContact OE1-CD2 3.38Å; N156-L159 HydrophobicContact CB-CB 3.9Å; N156-L159 PolarHBondContact O-N 2.81Å; N156-L159 PolarHBondContact OD1-N 3.49Å; N156-L159 VanDerWaalsContact OD1-N 3.11Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 3.26Å; L159-E162 PolarHBondContact O-N 2.98Å; L159-V163 HydrophobicContact CD1-CG2 4.02Å; L159-V163 WeakPolarHBondContact O-CG2 3.49Å; L159-V163 PolarHBondContact O-N 2.65Å
160	M	98.7	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-41.4	178.6	-62.2	169.8	-171.9	0	0	112.3	I152 N156 Q158 S164 W178 I185 K188 I192	I152-M160 HydrophobicContact CG2-CE 4.12Å; I152-M160 HydrophobicContact CG2-CG 4.35Å; N156-M160 WeakPolarHBondContact O-CG 3.38Å; N156-M160 PolarHBondContact O-N 2.85Å; N156-M160 VanDerWaalsContact O-N 3.13Å; Q158-M160 VanDerWaalsContact C-N 3.3Å; Q158-M160 PolarHBondContact O-N 3.13Å; M160-S164 WeakPolarHBondContact O-CB 3.39Å; M160-S164 PolarHBondContact O-N 3.33Å; M160-W178 WeakPolarHBondContact O-CH2 3.38Å; M160-I185 HydrophobicContact CE-CB 4.4Å; M160-I185 HydrophobicContact CE-CG2 3.67Å; M160-K188 HydrophobicContact CE-CB 4.17Å; M160-K188 HydrophobicContact SD-CB 3.77Å; M160-I192 HydrophobicContact CB-CD1 3.41Å; M160-I192 VanDerWaalsContact CB-CD1 3.41Å; M160-I192 HydrophobicContact CG-CD1 4.26Å; M160-I192 HydrophobicContact SD-CD1 3.85Å
161	R	98.8	Very high	97.7	Very high	122 Å²	122	54.2 Å²	54.2	46%	0.46	25%	0.25	S	S	.	.	H	α-helix	trans	-66.5	-43.8	176.3	-78.3	-173.6	-61.3	-89.8	2.4	111.6	P157 Q158 L159 S164 T165 I192	P157-R161 WeakPolarHBondContact O-CB 3.4Å; P157-R161 VanDerWaalsContact O-CG 3.31Å; P157-R161 WeakPolarHBondContact O-CG 3.21Å; P157-R161 VanDerWaalsContact O-CZ 3.27Å; P157-R161 PolarHBondContact O-N 2.88Å; P157-R161 VanDerWaalsContact O-N 3.1Å; P157-R161 PolarHBondContact O-NH1 2.85Å; Q158-R161 PolarHBondContact O-N 2.9Å; Q158-R161 VanDerWaalsContact O-N 3.09Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 3.26Å; R161-S164 CarbonylContact O-C 3.6Å; R161-S164 WeakPolarHBondContact O-CB 3.33Å; R161-S164 PolarHBondContact O-N 2.87Å; R161-T165 WeakPolarHBondContact O-CB 3.17Å; R161-T165 PolarHBondContact O-N 3.31Å; R161-T165 PolarHBondContact O-OG1 3.2Å; R161-I192 HydrophobicContact CG-CD1 4.3Å; R161-I192 HydrophobicContact CG-CG2 4.15Å
162	E	98.8	Very high	97.8	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-44.5	179.9	-67.8	-49.3	138.5	0	0	112	L76 V82 Q158 L159 S164 T165 L166	L76-E162 HydrophobicContact CD1-CB 4.46Å; L76-E162 HydrophobicContact CD1-CG 4.21Å; V82-E162 HydrophobicContact CG2-CB 3.47Å; V82-E162 VanDerWaalsContact CG2-CB 3.47Å; V82-E162 HydrophobicContact CG2-CG 4.48Å; Q158-E162 HydrophobicContact CG-CG 4.48Å; Q158-E162 WeakPolarHBondContact O-CG 3.41Å; Q158-E162 PolarHBondContact O-N 3.31Å; L159-E162 PolarHBondContact O-N 2.98Å; E162-S164 VanDerWaalsContact C-N 3.3Å; E162-S164 PolarHBondContact O-N 2.63Å; E162-T165 PolarHBondContact O-N 3.17Å; E162-T165 VanDerWaalsContact O-N 3.14Å; E162-L166 WeakPolarHBondContact O-CG 3.44Å; E162-L166 PolarHBondContact O-N 2.66Å
163	V	98.8	Very high	97.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-43.7	173	172.3	0	0	0	0	110.8	V82 L136 I150 I152 L159 T165 L166 A167 W178	V82-V163 HydrophobicContact CG1-CG2 3.85Å; V82-V163 HydrophobicContact CG2-CG2 4.33Å; L136-V163 HydrophobicContact CD2-CB 4.46Å; L136-V163 HydrophobicContact CD2-CG1 4.26Å; L136-V163 HydrophobicContact CD2-CG2 3.91Å; I150-V163 HydrophobicContact CD1-CG1 3.74Å; I150-V163 HydrophobicContact CG2-CG1 4.42Å; I152-V163 HydrophobicContact CD1-CG2 4.38Å; L159-V163 HydrophobicContact CD1-CG2 4.02Å; L159-V163 WeakPolarHBondContact O-CG2 3.49Å; L159-V163 PolarHBondContact O-N 2.65Å; V163-T165 VanDerWaalsContact C-N 3.35Å; V163-T165 PolarHBondContact O-N 3.06Å; V163-L166 PolarHBondContact O-N 2.99Å; V163-A167 WeakPolarHBondContact O-CB 3.37Å; V163-A167 PolarHBondContact O-N 2.9Å; V163-W178 HydrophobicContact CB-CH2 3.66Å; V163-W178 HydrophobicContact CB-CZ3 3.92Å; V163-W178 HydrophobicContact CG1-CE3 4.47Å; V163-W178 HydrophobicContact CG1-CH2 3.39Å; V163-W178 HydrophobicContact CG1-CZ2 4.38Å; V163-W178 HydrophobicContact CG1-CZ3 3.44Å; V163-W178 VanDerWaalsContact CG1-CZ3 3.44Å
164	S	98.8	Very high	98.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-38.5	176	179.3	0	0	0	0	112.8	M160 R161 E162 A167 R168 N193	M160-S164 WeakPolarHBondContact O-CB 3.39Å; M160-S164 PolarHBondContact O-N 3.33Å; R161-S164 CarbonylContact O-C 3.6Å; R161-S164 WeakPolarHBondContact O-CB 3.33Å; R161-S164 PolarHBondContact O-N 2.87Å; E162-S164 VanDerWaalsContact C-N 3.3Å; E162-S164 PolarHBondContact O-N 2.63Å; S164-A167 PolarHBondContact O-N 3.5Å; S164-R168 PolarHBondContact O-N 2.82Å; S164-R168 VanDerWaalsContact O-N 3.08Å; S164-R168 PolarHBondContact OG-NH1 3.47Å; S164-R168 PolarHBondContact OG-NH2 2.87Å; S164-N193 VanDerWaalsContact OG-CB 3.32Å; S164-N193 WeakPolarHBondContact OG-CB 3.35Å; S164-N193 PolarHBondContact OG-ND2 3.36Å
165	T	98.8	Very high	98.3	Very high	48 Å²	48	52.6 Å²	52.6	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-44.1	177.5	-68.7	0	0	0	0	110.4	R161 E162 V163 R168 R169	R161-T165 WeakPolarHBondContact O-CB 3.17Å; R161-T165 PolarHBondContact O-N 3.31Å; R161-T165 PolarHBondContact O-OG1 3.2Å; E162-T165 PolarHBondContact O-N 3.17Å; E162-T165 VanDerWaalsContact O-N 3.14Å; V163-T165 VanDerWaalsContact C-N 3.35Å; V163-T165 PolarHBondContact O-N 3.06Å; T165-R168 PolarHBondContact O-N 3.34Å; T165-R169 VanDerWaalsContact O-CB 3.27Å; T165-R169 WeakPolarHBondContact O-CB 3.4Å; T165-R169 PolarHBondContact O-N 2.91Å
166	L	98.8	Very high	98.4	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-44.4	174	-70.4	172.4	0	0	0	111.5	V82 L136 E137 F140 E162 V163 R168 R169 Y170	V82-L166 HydrophobicContact CB-CD1 4.19Å; V82-L166 HydrophobicContact CG2-CD1 4.17Å; L136-L166 HydrophobicContact CB-CD1 4.3Å; L136-L166 HydrophobicContact CD2-CD1 4Å; L136-L166 HydrophobicContact CG-CD1 4.3Å; E137-L166 HydrophobicContact CB-CD1 4.45Å; E137-L166 HydrophobicContact CB-CD2 3.88Å; E137-L166 HydrophobicContact CG-CD2 3.97Å; F140-L166 HydrophobicContact CD2-CB 3.97Å; F140-L166 HydrophobicContact CE2-CB 3.69Å; E162-L166 WeakPolarHBondContact O-CG 3.44Å; E162-L166 PolarHBondContact O-N 2.66Å; V163-L166 PolarHBondContact O-N 2.99Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 3.47Å; L166-R169 PolarHBondContact O-N 2.87Å; L166-Y170 HydrophobicContact CD2-CE2 4.21Å; L166-Y170 WeakPolarHBondContact O-CD2 3.42Å; L166-Y170 PolarHBondContact O-N 3.16Å
167	A	98.7	Very high	98.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-39.7	178.5	0	0	0	0	0	112.7	V163 S164 D171 R172 E173 T176 M196	V163-A167 WeakPolarHBondContact O-CB 3.37Å; V163-A167 PolarHBondContact O-N 2.9Å; S164-A167 PolarHBondContact O-N 3.5Å; A167-D171 PolarHBondContact O-N 3.14Å; A167-R172 WeakPolarHBondContact O-CG 3.32Å; A167-R172 PolarHBondContact O-N 3.29Å; A167-E173 HydrophobicContact CB-CG 4.19Å; A167-T176 HydrophobicContact CB-CG2 4.46Å; A167-M196 HydrophobicContact CB-SD 3.76Å
168	R	98.7	Very high	98.6	Very high	116 Å²	116	44.2 Å²	44.2	44%	0.438	21%	0.206	S	C	.	.	H	α-helix	trans	-68.7	-48.8	173.2	-79.6	-172.4	-74	-104.3	2.5	112.5	S164 T165 L166 Y170 D171 E173	S164-R168 PolarHBondContact O-N 2.82Å; S164-R168 VanDerWaalsContact O-N 3.08Å; S164-R168 PolarHBondContact OG-NH1 3.47Å; S164-R168 PolarHBondContact OG-NH2 2.87Å; T165-R168 PolarHBondContact O-N 3.34Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 3.47Å; R168-Y170 PolarHBondContact O-N 3.47Å; R168-D171 PolarHBondContact O-N 3.12Å; R168-E173 HydrophobicContact CG-CG 4.05Å; R168-E173 WeakPolarHBondContact CG-OE1 3.36Å
169	R	98.6	Very high	98.6	Very high	149 Å²	149	40.1 Å²	40.1	56%	0.562	19%	0.187	S	C	*	.	H	α-helix	trans	-56	-38	-177.9	-175.6	-171.4	-63.3	171.1	0.5	111.9	E137 T165 L166	E137-R169 IonicContact OE1-NH1 3.9Å; E137-R169 PolarHBondContact OE1-NH1 2.62Å; E137-R169 IonicContact OE2-NH1 2.98Å; E137-R169 PolarHBondContact OE2-NH1 3.04Å; T165-R169 VanDerWaalsContact O-CB 3.27Å; T165-R169 WeakPolarHBondContact O-CB 3.4Å; T165-R169 PolarHBondContact O-N 2.91Å; L166-R169 PolarHBondContact O-N 2.87Å
170	Y	98.6	Very high	98.5	Very high	66 Å²	66	40.4 Å²	40.4	26%	0.259	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.2	-179.5	-72.6	-92.8	0	0	0	113.8	E137 F140 R141 L166 R168 R172	E137-Y170 HydrophobicContact CG-CE2 3.7Å; E137-Y170 WeakPolarHBondContact CG-OH 2.93Å; E137-Y170 VanDerWaalsContact OE1-CE2 3.3Å; E137-Y170 WeakPolarHBondContact OE1-CE2 3.36Å; E137-Y170 PolarHBondContact OE1-OH 2.7Å; F140-Y170 HydrophobicContact CB-CD1 4.21Å; F140-Y170 HydrophobicContact CB-CD2 4.28Å; F140-Y170 HydrophobicContact CB-CG 4.07Å; F140-Y170 HydrophobicContact CD2-CD2 4.15Å; F140-Y170 HydrophobicContact CD2-CG 4.41Å; R141-Y170 HydrophobicContact CB-CE1 4.17Å; L166-Y170 HydrophobicContact CD2-CE2 4.21Å; L166-Y170 WeakPolarHBondContact O-CD2 3.42Å; L166-Y170 PolarHBondContact O-N 3.16Å; R168-Y170 PolarHBondContact O-N 3.47Å; Y170-R172 VanDerWaalsContact C-N 3.28Å; Y170-R172 PolarHBondContact O-N 2.84Å
171	D	98.3	Very high	98.3	Very high	149 Å²	149	44.3 Å²	44.3	80%	0.797	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	46.7	178.3	-171.6	35.5	0	0	0	113.6	A167 R168	A167-D171 PolarHBondContact O-N 3.14Å; R168-D171 PolarHBondContact O-N 3.12Å
172	R	98	Very high	98.2	Very high	4 Å²	4	42 Å²	42	2%	0.015	20%	0.204	C	C	.	.			trans	-129	14.7	-171	66	175.4	-64.6	143.6	7.6	114.6	F140 F143 I146 A167 Y170 G174 I175 T176	F140-R172 VanDerWaalsContact CD1-CZ 3.49Å; F140-R172 VanDerWaalsContact CD1-NH1 3.34Å; F140-R172 HydrophobicContact CE2-CG 4.49Å; F143-R172 PolarHBondContact O-NH1 3.37Å; I146-R172 PolarHBondContact O-NH2 3.23Å; A167-R172 WeakPolarHBondContact O-CG 3.32Å; A167-R172 PolarHBondContact O-N 3.29Å; Y170-R172 VanDerWaalsContact C-N 3.28Å; Y170-R172 PolarHBondContact O-N 2.84Å; R172-G174 PolarHBondContact O-N 2.89Å; R172-G174 VanDerWaalsContact O-N 3.17Å; R172-I175 HydrophobicContact CB-CD1 4.14Å; R172-I175 HydrophobicContact CB-CG1 3.79Å; R172-I175 CarbonylContact O-C 3.45Å; R172-I175 WeakPolarHBondContact O-CG1 3.42Å; R172-I175 PolarHBondContact O-N 3.43Å; R172-T176 PolarHBondContact NE-OG1 2.76Å; R172-T176 PolarHBondContact O-N 2.91Å; R172-T176 PolarHBondContact O-OG1 3.12Å; R172-T176 VanDerWaalsContact O-OG1 3.09Å
173	E	98.4	Very high	98.1	Very high	46 Å²	46	40 Å²	40	22%	0.215	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-52.5	-39.7	178.9	-64.3	177.5	112.2	0	0	112.2	A167 R168 I175 T176 N193 A195 M196 P197	A167-E173 HydrophobicContact CB-CG 4.19Å; R168-E173 HydrophobicContact CG-CG 4.05Å; R168-E173 WeakPolarHBondContact CG-OE1 3.36Å; E173-I175 PolarHBondContact O-N 3Å; E173-T176 PolarHBondContact O-N 3.11Å; E173-N193 PolarHBondContact OE1-ND2 3.01Å; E173-N193 PolarHBondContact OE1-OD1 2.67Å; E173-A195 HydrophobicContact CB-CB 4.42Å; E173-M196 HydrophobicContact CB-CG 3.94Å; E173-M196 HydrophobicContact CG-CG 4.31Å; E173-M196 WeakPolarHBondContact O-CA 3.45Å; E173-M196 WeakPolarHBondContact O-CG 3.35Å; E173-P197 VanDerWaalsContact O-CD 3.3Å; E173-P197 WeakPolarHBondContact O-CD 3.27Å
174	G	98.1	Very high	98.1	Very high	35 Å²	35	46.5 Å²	46.5	36%	0.361	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-66.8	-19.2	178.8	0	0	0	0	0	115.3	A36 R172	A36-G174 WeakPolarHBondContact CB-O 3.31Å; R172-G174 PolarHBondContact O-N 2.89Å; R172-G174 VanDerWaalsContact O-N 3.17Å
175	I	98.5	Very high	98	Very high	32 Å²	32	47.1 Å²	47.1	16%	0.164	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-119.8	10	-177.9	65.2	168.3	0	0	0	113.3	A36 F37 P147 V148 R172 E173	A36-I175 HydrophobicContact CB-CG2 4.1Å; F37-I175 HydrophobicContact CD1-CB 4.34Å; F37-I175 HydrophobicContact CD1-CG2 4.18Å; P147-I175 CarbonylContact C-O 3.26Å; P147-I175 WeakPolarHBondContact CA-O 3.27Å; P147-I175 HydrophobicContact CB-CB 4.32Å; P147-I175 HydrophobicContact CG-CB 4.28Å; V148-I175 PolarHBondContact N-O 3.28Å; R172-I175 HydrophobicContact CB-CD1 4.14Å; R172-I175 HydrophobicContact CB-CG1 3.79Å; R172-I175 CarbonylContact O-C 3.45Å; R172-I175 WeakPolarHBondContact O-CG1 3.42Å; R172-I175 PolarHBondContact O-N 3.43Å; E173-I175 PolarHBondContact O-N 3Å
176	T	98.7	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.4	172.9	-58.1	0	0	0	0	107.7	F140 V148 I150 A167 R172 E173 M196 P197	F140-T176 HydrophobicContact CZ-CG2 4.24Å; V148-T176 HydrophobicContact CG2-CG2 3.63Å; I150-T176 HydrophobicContact CD1-CG2 3.55Å; I150-T176 HydrophobicContact CG1-CG2 4.26Å; A167-T176 HydrophobicContact CB-CG2 4.46Å; R172-T176 PolarHBondContact NE-OG1 2.76Å; R172-T176 PolarHBondContact O-N 2.91Å; R172-T176 PolarHBondContact O-OG1 3.12Å; R172-T176 VanDerWaalsContact O-OG1 3.09Å; E173-T176 PolarHBondContact O-N 3.11Å; T176-M196 HydrophobicContact CG2-CE 3.34Å; T176-M196 WeakPolarHBondContact O-CE 3.35Å; T176-P197 WeakPolarHBondContact O-CD 3.36Å
177	L	98.6	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.7	-177.4	-178.9	89.2	0	0	0	110.2	V148 I150 A179 P197 I226	V148-L177 PolarHBondContact O-N 2.77Å; I150-L177 PolarHBondContact N-O 3.27Å; L177-A179 PolarHBondContact O-N 3.31Å; L177-P197 WeakPolarHBondContact CA-O 3.24Å; L177-P197 HydrophobicContact CD1-CB 3.83Å; L177-P197 HydrophobicContact CD1-CG 4.06Å; L177-I226 HydrophobicContact CD1-CB 4.49Å; L177-I226 HydrophobicContact CD1-CD1 3.92Å; L177-I226 HydrophobicContact CD1-CG1 3.93Å; L177-I226 HydrophobicContact CD2-CB 4.37Å; L177-I226 HydrophobicContact CD2-CD1 3.88Å; L177-I226 HydrophobicContact CD2-CG1 4.32Å; L177-I226 HydrophobicContact CG-CD1 4.5Å
178	W	98.6	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.9	162.4	-69.4	125.7	0	0	0	110.6	I152 M160 V163 L186 C189 N193 M196 P197 Y198 S199	I152-W178 HydrophobicContact CD1-CZ3 4.06Å; I152-W178 HydrophobicContact CG1-CE3 3.97Å; I152-W178 HydrophobicContact CG1-CZ3 3.82Å; M160-W178 WeakPolarHBondContact O-CH2 3.38Å; V163-W178 HydrophobicContact CB-CH2 3.66Å; V163-W178 HydrophobicContact CB-CZ3 3.92Å; V163-W178 HydrophobicContact CG1-CE3 4.47Å; V163-W178 HydrophobicContact CG1-CH2 3.39Å; V163-W178 HydrophobicContact CG1-CZ2 4.38Å; V163-W178 HydrophobicContact CG1-CZ3 3.44Å; V163-W178 VanDerWaalsContact CG1-CZ3 3.44Å; W178-L186 HydrophobicContact CB-CD1 3.87Å; W178-C189 HydrophobicContact CB-CB 4.4Å; W178-C189 HydrophobicContact CD2-CB 3.7Å; W178-C189 HydrophobicContact CE3-CB 4.01Å; W178-C189 HydrophobicContact CG-CB 3.89Å; W178-C189 HydrophobicContact CZ2-CB 4.49Å; W178-N193 HydrophobicContact CZ2-CB 4.37Å; W178-N193 PolarHBondContact NE1-O 2.95Å; W178-M196 HydrophobicContact CD2-CE 3.58Å; W178-M196 HydrophobicContact CD2-SD 4.42Å; W178-M196 VanDerWaalsContact CE2-SD 3.58Å; W178-M196 HydrophobicContact CE3-CE 4.11Å; W178-M196 HydrophobicContact CG-CB 4.49Å; W178-M196 HydrophobicContact CG-CE 3.97Å; W178-M196 HydrophobicContact CH2-CE 4.24Å; W178-M196 HydrophobicContact CZ2-CE 3.71Å; W178-M196 HydrophobicContact CZ2-SD 3.66Å; W178-M196 HydrophobicContact CZ3-CE 4.41Å; W178-P197 PolarHBondContact N-O 3.01Å; W178-Y198 CarbonylContact O-C 3.02Å; W178-Y198 VanDerWaalsContact O-CA 3.24Å; W178-Y198 WeakPolarHBondContact O-CA 3.27Å; W178-S199 PolarHBondContact O-N 2.94Å
179	A	98.1	Very high	97.9	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.5	169.5	0	0	0	0	0	110.8	I150 E151 I152 L177 S199	I150-A179 PolarHBondContact O-N 3.3Å; E151-A179 WeakPolarHBondContact CA-O 3.25Å; E151-A179 HydrophobicContact CB-CB 4.4Å; I152-A179 PolarHBondContact N-O 3.1Å; L177-A179 PolarHBondContact O-N 3.31Å; A179-S199 WeakPolarHBondContact CA-OG 3.42Å
180	S	97.1	Very high	97.9	Very high	7 Å²	7	44.1 Å²	44.1	5%	0.049	22%	0.224	C	C	.	.			trans	-167.2	140.7	165.6	-171.7	0	0	0	0	108.5	I152 D182 S201	I152-S180 VanDerWaalsContact O-CB 3.31Å; I152-S180 WeakPolarHBondContact O-CB 3.34Å; I152-S180 PolarHBondContact O-OG 3.09Å; S180-D182 PolarHBondContact OG-N 2.84Å; S180-S201 WeakPolarHBondContact O-CA 3.44Å
181	E	94.6	Very high	97.9	Very high	81 Å²	81	45.7 Å²	45.7	38%	0.379	24%	0.244	S	C	.	.	S	Bend	trans	-72.4	-21.5	171.3	-67.2	-166	130.5	0	0	112.2	S201 K202	E181-S201 WeakPolarHBondContact O-CB 3.31Å; E181-K202 HydrophobicContact CB-CD 3.9Å; E181-K202 HydrophobicContact CB-CG 3.95Å; E181-K202 HydrophobicContact CG-CD 4.47Å; E181-K202 HydrophobicContact CG-CG 4.37Å; E181-K202 WeakPolarHBondContact O-CB 3.02Å; E181-K202 PolarHBondContact O-N 3.39Å; E181-K202 VanDerWaalsContact OE1-CE 3.24Å; E181-K202 WeakPolarHBondContact OE1-CE 3.44Å; E181-K202 IonicContact OE1-NZ 3.94Å; E181-K202 WeakPolarHBondContact OE2-CE 3.19Å; E181-K202 IonicContact OE2-NZ 3.42Å; E181-K202 PolarHBondContact OE2-NZ 3.12Å
182	D	97.1	Very high	97.9	Very high	74 Å²	74	40.8 Å²	40.8	40%	0.396	22%	0.218	S	C	.	.			trans	-87.5	127.2	179.7	-169.4	-68.4	0	0	0	111.4	S180 E184 I185 L186	S180-D182 PolarHBondContact OG-N 2.84Å; D182-E184 WeakPolarHBondContact OD1-CA 3.39Å; D182-E184 WeakPolarHBondContact OD1-CB 3.48Å; D182-E184 PolarHBondContact OD1-N 2.76Å; D182-I185 HydrophobicContact CB-CB 4.04Å; D182-I185 HydrophobicContact CB-CD1 3.83Å; D182-I185 HydrophobicContact CB-CG1 3.92Å; D182-I185 PolarHBondContact OD1-N 3.41Å; D182-I185 VanDerWaalsContact OD1-N 3.07Å; D182-L186 VanDerWaalsContact O-CB 3.31Å; D182-L186 WeakPolarHBondContact O-CB 3.38Å; D182-L186 PolarHBondContact O-N 3.49Å; D182-L186 VanDerWaalsContact O-N 3.12Å
183	A	96.9	Very high	97.9	Very high	20 Å²	20	41 Å²	41	17%	0.165	22%	0.219	C	C	.	.	H	α-helix	trans	-73.5	-30	-175.9	0	0	0	0	0	113.2	N187 S201 K203	A183-N187 WeakPolarHBondContact O-CB 3.48Å; A183-N187 PolarHBondContact O-N 3.45Å; A183-N187 PolarHBondContact O-ND2 3.01Å; A183-S201 WeakPolarHBondContact CB-OG 3.4Å; A183-K203 HydrophobicContact CB-CB 4.22Å; A183-K203 HydrophobicContact CB-CD 4.41Å
184	E	97.7	Very high	97.9	Very high	138 Å²	138	42 Å²	42	65%	0.645	24%	0.241	S	C	*	.	H	α-helix	trans	-75.3	-47.2	-179.6	-61.6	-176.3	-175.3	0	0	110.2	D182 L186 N187 K188	D182-E184 WeakPolarHBondContact OD1-CA 3.39Å; D182-E184 WeakPolarHBondContact OD1-CB 3.48Å; D182-E184 PolarHBondContact OD1-N 2.76Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 2.86Å; E184-N187 PolarHBondContact O-N 3.38Å; E184-K188 WeakPolarHBondContact O-CG 3.34Å; E184-K188 PolarHBondContact O-N 3.25Å
185	I	98	Very high	97.8	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.062	25%	0.25	C	S	.	.	H	α-helix	trans	-54.6	-51.4	172.4	-64.3	-178.3	0	0	0	109.7	I152 D155 M160 D182 N187 K188 C189	I152-I185 HydrophobicContact CB-CG2 4.01Å; I152-I185 HydrophobicContact CG2-CG2 3.64Å; D155-I185 HydrophobicContact CB-CG1 4.31Å; M160-I185 HydrophobicContact CE-CB 4.4Å; M160-I185 HydrophobicContact CE-CG2 3.67Å; D182-I185 HydrophobicContact CB-CB 4.04Å; D182-I185 HydrophobicContact CB-CD1 3.83Å; D182-I185 HydrophobicContact CB-CG1 3.92Å; D182-I185 PolarHBondContact OD1-N 3.41Å; D182-I185 VanDerWaalsContact OD1-N 3.07Å; I185-N187 VanDerWaalsContact C-N 3.32Å; I185-N187 PolarHBondContact O-N 2.98Å; I185-K188 WeakPolarHBondContact O-CB 3.43Å; I185-K188 PolarHBondContact O-N 2.92Å; I185-K188 VanDerWaalsContact O-N 3.09Å; I185-C189 PolarHBondContact O-N 3.34Å; I185-C189 PolarHBondContact O-SG 3.06Å
186	L	97.7	Very high	97.8	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-36.6	-178.1	-166.7	62	0	0	0	112.9	W178 D182 E184 C189 R190 Y198 S199	W178-L186 HydrophobicContact CB-CD1 3.87Å; D182-L186 VanDerWaalsContact O-CB 3.31Å; D182-L186 WeakPolarHBondContact O-CB 3.38Å; D182-L186 PolarHBondContact O-N 3.49Å; D182-L186 VanDerWaalsContact O-N 3.12Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 2.86Å; L186-C189 PolarHBondContact O-N 3.46Å; L186-R190 VanDerWaalsContact O-CG 3.27Å; L186-R190 WeakPolarHBondContact O-CG 3.3Å; L186-R190 PolarHBondContact O-N 2.85Å; L186-Y198 HydrophobicContact CD2-CD2 4.2Å; L186-S199 VanDerWaalsContact CD2-O 3.31Å; L186-S199 WeakPolarHBondContact CD2-O 3.4Å
187	N	98	Very high	97.8	Very high	90 Å²	90	43 Å²	43	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-66.1	-38.4	174.5	-77.1	-29	0	0	0	111.9	A183 E184 I185 R190 S191	A183-N187 WeakPolarHBondContact O-CB 3.48Å; A183-N187 PolarHBondContact O-N 3.45Å; A183-N187 PolarHBondContact O-ND2 3.01Å; E184-N187 PolarHBondContact O-N 3.38Å; I185-N187 VanDerWaalsContact C-N 3.32Å; I185-N187 PolarHBondContact O-N 2.98Å; N187-R190 PolarHBondContact O-N 3.49Å; N187-S191 PolarHBondContact O-N 3.36Å
188	K	98.5	Very high	97.8	Very high	73 Å²	73	44.2 Å²	44.2	32%	0.317	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-47.1	173.7	-68.8	178	-172.2	-173.8	0	111.2	D155 M160 E184 I185 R190 S191 I192	D155-K188 VanDerWaalsContact OD1-CD 3.22Å; D155-K188 WeakPolarHBondContact OD1-CD 3.29Å; D155-K188 WeakPolarHBondContact OD1-CE 3.43Å; D155-K188 IonicContact OD1-NZ 2.7Å; D155-K188 PolarHBondContact OD1-NZ 3.48Å; D155-K188 IonicContact OD2-NZ 3.77Å; D155-K188 PolarHBondContact OD2-NZ 2.89Å; M160-K188 HydrophobicContact CE-CB 4.17Å; M160-K188 HydrophobicContact SD-CB 3.77Å; E184-K188 WeakPolarHBondContact O-CG 3.34Å; E184-K188 PolarHBondContact O-N 3.25Å; I185-K188 WeakPolarHBondContact O-CB 3.43Å; I185-K188 PolarHBondContact O-N 2.92Å; I185-K188 VanDerWaalsContact O-N 3.09Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 2.9Å; K188-S191 PolarHBondContact O-N 2.91Å; K188-S191 PolarHBondContact O-OG 3.48Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 2.97Å
189	C	98.5	Very high	97.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-52.8	-47.2	173.9	-64.5	0	0	0	0	111.8	W178 I185 L186 S191 I192 N193	W178-C189 HydrophobicContact CB-CB 4.4Å; W178-C189 HydrophobicContact CD2-CB 3.7Å; W178-C189 HydrophobicContact CE3-CB 4.01Å; W178-C189 HydrophobicContact CG-CB 3.89Å; W178-C189 HydrophobicContact CZ2-CB 4.49Å; I185-C189 PolarHBondContact O-N 3.34Å; I185-C189 PolarHBondContact O-SG 3.06Å; L186-C189 PolarHBondContact O-N 3.46Å; C189-S191 PolarHBondContact O-N 2.61Å; C189-I192 PolarHBondContact O-N 3.18Å; C189-N193 PolarHBondContact O-N 2.66Å
190	R	97.9	Very high	97.7	Very high	93 Å²	93	44.9 Å²	44.9	35%	0.351	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-35.2	177.9	-70.8	174.9	67.8	-136.5	-5.8	113.5	L186 N187 K188 I192 N193 G194 Y198	L186-R190 VanDerWaalsContact O-CG 3.27Å; L186-R190 WeakPolarHBondContact O-CG 3.3Å; L186-R190 PolarHBondContact O-N 2.85Å; N187-R190 PolarHBondContact O-N 3.49Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 2.9Å; R190-I192 VanDerWaalsContact C-N 3.31Å; R190-N193 CarbonylContact O-C 3.5Å; R190-N193 VanDerWaalsContact O-C 3.26Å; R190-G194 WeakPolarHBondContact O-CA 3.44Å; R190-G194 PolarHBondContact O-N 3.27Å; R190-G194 VanDerWaalsContact O-N 3.09Å; R190-Y198 HydrophobicContact CG-CD1 4.06Å; R190-Y198 HydrophobicContact CG-CD2 4.39Å; R190-Y198 HydrophobicContact CG-CG 4Å; R190-Y198 VanDerWaalsContact CZ-CZ 3.48Å; R190-Y198 PolarHBondContact NH2-OH 3.4Å
191	S	98.3	Very high	97.8	Very high	99 Å²	99	44.8 Å²	44.8	69%	0.692	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-32.8	176.2	74.1	0	0	0	0	112.2	N187 K188 C189	N187-S191 PolarHBondContact O-N 3.36Å; K188-S191 PolarHBondContact O-N 2.91Å; K188-S191 PolarHBondContact O-OG 3.48Å; C189-S191 PolarHBondContact O-N 2.61Å
192	I	98.3	Very high	97.8	Very high	46 Å²	46	46.8 Å²	46.8	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-74.9	-41.8	176	-70.3	166.8	0	0	0	110.9	M160 R161 K188 C189 R190	M160-I192 HydrophobicContact CB-CD1 3.41Å; M160-I192 VanDerWaalsContact CB-CD1 3.41Å; M160-I192 HydrophobicContact CG-CD1 4.26Å; M160-I192 HydrophobicContact SD-CD1 3.85Å; R161-I192 HydrophobicContact CG-CD1 4.3Å; R161-I192 HydrophobicContact CG-CG2 4.15Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 2.97Å; C189-I192 PolarHBondContact O-N 3.18Å; R190-I192 VanDerWaalsContact C-N 3.31Å
193	N	98.3	Very high	97.8	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.043	28%	0.277	C	S	.	.			trans	-147.1	99.9	176.5	-167.9	-17.9	0	0	0	112.2	S164 E173 W178 C189 R190 A195 M196	S164-N193 VanDerWaalsContact OG-CB 3.32Å; S164-N193 WeakPolarHBondContact OG-CB 3.35Å; S164-N193 PolarHBondContact OG-ND2 3.36Å; E173-N193 PolarHBondContact OE1-ND2 3.01Å; E173-N193 PolarHBondContact OE1-OD1 2.67Å; W178-N193 HydrophobicContact CZ2-CB 4.37Å; W178-N193 PolarHBondContact NE1-O 2.95Å; C189-N193 PolarHBondContact O-N 2.66Å; R190-N193 CarbonylContact O-C 3.5Å; R190-N193 VanDerWaalsContact O-C 3.26Å; N193-A195 WeakPolarHBondContact OD1-CB 3.45Å; N193-A195 PolarHBondContact OD1-N 3.25Å; N193-M196 HydrophobicContact CB-SD 4.28Å
194	G	97.5	Very high	97.8	Very high	66 Å²	66	53.8 Å²	53.8	68%	0.68	28%	0.284	S	S	*	.	S	Bend	trans	-84	-6.4	176.7	0	0	0	0	0	115	R190	R190-G194 WeakPolarHBondContact O-CA 3.44Å; R190-G194 PolarHBondContact O-N 3.27Å; R190-G194 VanDerWaalsContact O-N 3.09Å
195	A	97.4	Very high	97.8	Very high	67 Å²	67	48.1 Å²	48.1	55%	0.554	26%	0.262	S	S	*	.	S	Bend	trans	-77.5	-28.3	177.4	0	0	0	0	0	112.1	E173 N193	E173-A195 HydrophobicContact CB-CB 4.42Å; N193-A195 WeakPolarHBondContact OD1-CB 3.45Å; N193-A195 PolarHBondContact OD1-N 3.25Å
196	M	98.2	Very high	97.7	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	29%	0.289	C	S	.	.	S	Bend	trans	-72.2	136.1	175.2	-71.6	171.3	58.8	0	0	111.2	A167 E173 T176 W178 N193	A167-M196 HydrophobicContact CB-SD 3.76Å; E173-M196 HydrophobicContact CB-CG 3.94Å; E173-M196 HydrophobicContact CG-CG 4.31Å; E173-M196 WeakPolarHBondContact O-CA 3.45Å; E173-M196 WeakPolarHBondContact O-CG 3.35Å; T176-M196 HydrophobicContact CG2-CE 3.34Å; T176-M196 WeakPolarHBondContact O-CE 3.35Å; W178-M196 HydrophobicContact CD2-CE 3.58Å; W178-M196 HydrophobicContact CD2-SD 4.42Å; W178-M196 VanDerWaalsContact CE2-SD 3.58Å; W178-M196 HydrophobicContact CE3-CE 4.11Å; W178-M196 HydrophobicContact CG-CB 4.49Å; W178-M196 HydrophobicContact CG-CE 3.97Å; W178-M196 HydrophobicContact CH2-CE 4.24Å; W178-M196 HydrophobicContact CZ2-CE 3.71Å; W178-M196 HydrophobicContact CZ2-SD 3.66Å; W178-M196 HydrophobicContact CZ3-CE 4.41Å; N193-M196 HydrophobicContact CB-SD 4.28Å
197	P	98.1	Very high	97.8	Very high	18 Å²	18	56.2 Å²	56.2	12%	0.117	30%	0.304	C	S	.	.			trans	-64	158.7	169.4	28.5	-33.7	0	0	0	110.6	F37 E173 T176 L177 W178	F37-P197 HydrophobicContact CE1-CG 3.96Å; F37-P197 HydrophobicContact CZ-CG 4.48Å; E173-P197 VanDerWaalsContact O-CD 3.3Å; E173-P197 WeakPolarHBondContact O-CD 3.27Å; T176-P197 WeakPolarHBondContact O-CD 3.36Å; L177-P197 WeakPolarHBondContact CA-O 3.24Å; L177-P197 HydrophobicContact CD1-CB 3.83Å; L177-P197 HydrophobicContact CD1-CG 4.06Å; W178-P197 PolarHBondContact N-O 3.01Å
198	Y	98.2	Very high	97.8	Very high	27 Å²	27	52.2 Å²	52.2	11%	0.106	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-139.4	153.5	-178.9	63.3	-82	0	0	0	112.7	W178 L186 R190 G223 E224 S225	W178-Y198 CarbonylContact O-C 3.02Å; W178-Y198 VanDerWaalsContact O-CA 3.24Å; W178-Y198 WeakPolarHBondContact O-CA 3.27Å; L186-Y198 HydrophobicContact CD2-CD2 4.2Å; R190-Y198 HydrophobicContact CG-CD1 4.06Å; R190-Y198 HydrophobicContact CG-CD2 4.39Å; R190-Y198 HydrophobicContact CG-CG 4Å; R190-Y198 VanDerWaalsContact CZ-CZ 3.48Å; R190-Y198 PolarHBondContact NH2-OH 3.4Å; Y198-G223 WeakPolarHBondContact CE1-O 3.49Å; Y198-G223 VanDerWaalsContact CZ-O 3.28Å; Y198-G223 VanDerWaalsContact OH-CA 3.27Å; Y198-G223 WeakPolarHBondContact OH-CA 3.26Å; Y198-G223 PolarHBondContact OH-O 3.29Å; Y198-E224 HydrophobicContact CD2-CG 4.09Å; Y198-E224 HydrophobicContact CE2-CB 4.24Å; Y198-E224 HydrophobicContact CE2-CG 3.67Å; Y198-S225 PolarHBondContact O-N 2.78Å
199	S	97.9	Very high	97.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-84.9	178.9	179.7	75.7	0	0	0	0	112.7	W178 A179 L186 E224 I226	W178-S199 PolarHBondContact O-N 2.94Å; A179-S199 WeakPolarHBondContact CA-OG 3.42Å; L186-S199 VanDerWaalsContact CD2-O 3.31Å; L186-S199 WeakPolarHBondContact CD2-O 3.4Å; S199-E224 WeakPolarHBondContact O-CG 3.4Å; S199-I226 CarbonylContact C-O 3.22Å; S199-I226 WeakPolarHBondContact CA-O 3.34Å; S199-I226 WeakPolarHBondContact CB-O 3.38Å
200	F	98.3	Very high	97.8	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.057	30%	0.302	C	S	.	.			trans	-80.5	133.6	167.1	-76.4	-107.8	0	0	0	110.6	R204 L208 V222 E224 I226 L227 I274	F200-R204 HydrophobicContact CD1-CB 4.05Å; F200-L208 HydrophobicContact CD1-CD2 4.43Å; F200-L208 HydrophobicContact CE1-CB 4.22Å; F200-L208 HydrophobicContact CE1-CD1 4.39Å; F200-L208 HydrophobicContact CE1-CD2 3.87Å; F200-L208 HydrophobicContact CE1-CG 4.38Å; F200-L208 HydrophobicContact CZ-CD2 4.18Å; F200-V222 HydrophobicContact CE1-CG1 4.16Å; F200-V222 HydrophobicContact CE2-CG1 4.39Å; F200-V222 HydrophobicContact CZ-CG1 3.56Å; F200-E224 HydrophobicContact CB-CG 4.39Å; F200-E224 HydrophobicContact CD1-CB 4.36Å; F200-E224 HydrophobicContact CD1-CG 3.92Å; F200-E224 HydrophobicContact CD2-CB 3.41Å; F200-E224 VanDerWaalsContact CD2-CB 3.41Å; F200-E224 HydrophobicContact CD2-CG 3.73Å; F200-E224 HydrophobicContact CE1-CB 4.26Å; F200-E224 HydrophobicContact CE1-CG 4.12Å; F200-E224 HydrophobicContact CE2-CB 3.31Å; F200-E224 HydrophobicContact CE2-CG 3.96Å; F200-E224 HydrophobicContact CG-CB 3.98Å; F200-E224 HydrophobicContact CG-CG 3.74Å; F200-E224 HydrophobicContact CZ-CB 3.78Å; F200-E224 HydrophobicContact CZ-CG 4.16Å; F200-I226 WeakPolarHBondContact CD2-O 3.47Å; F200-I226 PolarHBondContact N-O 3.46Å; F200-L227 HydrophobicContact CB-CD1 3.86Å; F200-L227 HydrophobicContact CD1-CD1 4.3Å; F200-L227 HydrophobicContact CD2-CB 3.74Å; F200-L227 HydrophobicContact CD2-CD1 3.96Å; F200-L227 HydrophobicContact CD2-CG 4.47Å; F200-L227 HydrophobicContact CE2-CB 3.89Å; F200-L227 HydrophobicContact CG-CB 4.45Å; F200-L227 HydrophobicContact CG-CD1 3.8Å; F200-I274 HydrophobicContact CE2-CG2 3.89Å
201	S	97.6	Very high	97.8	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.035	29%	0.291	C	S	.	.			trans	-77.6	165.5	162	68.1	0	0	0	0	111.6	S180 E181 A183 K203 R204 G205	S180-S201 WeakPolarHBondContact O-CA 3.44Å; E181-S201 WeakPolarHBondContact O-CB 3.31Å; A183-S201 WeakPolarHBondContact CB-OG 3.4Å; S201-K203 PolarHBondContact O-N 2.94Å; S201-R204 PolarHBondContact O-N 2.68Å; S201-R204 VanDerWaalsContact O-N 3.1Å; S201-R204 WeakPolarHBondContact OG-CG 3.16Å; S201-G205 PolarHBondContact O-N 3.06Å
202	K	95.4	Very high	97.8	Very high	123 Å²	123	48.9 Å²	48.9	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-54.5	-48.4	178	-81.4	173.4	168	155.1	0	112.5	E181 R204 G205 I206	E181-K202 HydrophobicContact CB-CD 3.9Å; E181-K202 HydrophobicContact CB-CG 3.95Å; E181-K202 HydrophobicContact CG-CD 4.47Å; E181-K202 HydrophobicContact CG-CG 4.37Å; E181-K202 WeakPolarHBondContact O-CB 3.02Å; E181-K202 PolarHBondContact O-N 3.39Å; E181-K202 VanDerWaalsContact OE1-CE 3.24Å; E181-K202 WeakPolarHBondContact OE1-CE 3.44Å; E181-K202 IonicContact OE1-NZ 3.94Å; E181-K202 WeakPolarHBondContact OE2-CE 3.19Å; E181-K202 IonicContact OE2-NZ 3.42Å; E181-K202 PolarHBondContact OE2-NZ 3.12Å; K202-R204 VanDerWaalsContact C-N 3.28Å; K202-R204 PolarHBondContact O-N 2.91Å; K202-G205 PolarHBondContact O-N 3.21Å; K202-G205 VanDerWaalsContact O-N 3.17Å; K202-I206 WeakPolarHBondContact O-CG1 3.46Å; K202-I206 PolarHBondContact O-N 2.77Å
203	K	96.5	Very high	97.8	Very high	160 Å²	160	51.7 Å²	51.7	70%	0.696	27%	0.273	S	S	*	.	H	α-helix	trans	-59.4	-39.8	179	-173.8	177.1	-178.6	176.2	0	111.6	A183 S201 I206 L207	A183-K203 HydrophobicContact CB-CB 4.22Å; A183-K203 HydrophobicContact CB-CD 4.41Å; S201-K203 PolarHBondContact O-N 2.94Å; K203-I206 PolarHBondContact O-N 3.03Å; K203-L207 PolarHBondContact O-N 3.3Å
204	R	97.8	Very high	97.8	Very high	82 Å²	82	54.4 Å²	54.4	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-72.3	-34.9	177.8	-67.7	-69.5	-65	172.6	0	112.1	F200 S201 K202 L207 L208 E224	F200-R204 HydrophobicContact CD1-CB 4.05Å; S201-R204 PolarHBondContact O-N 2.68Å; S201-R204 VanDerWaalsContact O-N 3.1Å; S201-R204 WeakPolarHBondContact OG-CG 3.16Å; K202-R204 VanDerWaalsContact C-N 3.28Å; K202-R204 PolarHBondContact O-N 2.91Å; R204-L207 PolarHBondContact O-N 3.46Å; R204-L208 WeakPolarHBondContact O-CB 3.39Å; R204-L208 PolarHBondContact O-N 3.31Å; R204-E224 IonicContact CZ-OE1 2.77Å; R204-E224 VanDerWaalsContact CZ-OE1 3.24Å; R204-E224 IonicContact CZ-OE2 3.48Å; R204-E224 IonicContact NE-OE1 4Å; R204-E224 PolarHBondContact NE-OE1 3.35Å; R204-E224 IonicContact NH2-OE1 3.21Å; R204-E224 PolarHBondContact NH2-OE1 2.87Å; R204-E224 IonicContact NH2-OE2 3.31Å; R204-E224 PolarHBondContact NH2-OE2 2.64Å
205	G	97.4	Very high	97.8	Very high	18 Å²	18	51.8 Å²	51.8	19%	0.186	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-42.7	170.7	0	0	0	0	0	113.1	S201 K202 L208 L209	S201-G205 PolarHBondContact O-N 3.06Å; K202-G205 PolarHBondContact O-N 3.21Å; K202-G205 VanDerWaalsContact O-N 3.17Å; G205-L208 WeakPolarHBondContact O-CB 3.38Å; G205-L208 PolarHBondContact O-N 3.31Å; G205-L209 WeakPolarHBondContact O-CG 3.31Å; G205-L209 PolarHBondContact O-N 3.27Å; G205-L209 VanDerWaalsContact O-N 3.13Å
206	I	96.9	Very high	97.9	Very high	120 Å²	120	52.1 Å²	52.1	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-64.1	-45.9	174.9	-66	167.8	0	0	0	110.8	K202 K203 L208 L209 L210	K202-I206 WeakPolarHBondContact O-CG1 3.46Å; K202-I206 PolarHBondContact O-N 2.77Å; K203-I206 PolarHBondContact O-N 3.03Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.33Å; I206-L209 PolarHBondContact O-N 2.93Å; I206-L210 PolarHBondContact O-N 3.37Å
207	L	98.3	Very high	97.9	Very high	67 Å²	67	52 Å²	52	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-60.1	-40.9	176.1	177.9	61.2	0	0	0	111.6	K203 R204 L209 L210 L211	K203-L207 PolarHBondContact O-N 3.3Å; R204-L207 PolarHBondContact O-N 3.46Å; L207-L209 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.16Å; L207-L210 HydrophobicContact CD1-CD2 4.37Å; L207-L210 PolarHBondContact O-N 3.05Å; L207-L211 HydrophobicContact CD1-CD1 4.3Å; L207-L211 HydrophobicContact CD1-CG 4.1Å; L207-L211 HydrophobicContact CG-CD1 4.03Å; L207-L211 HydrophobicContact CG-CG 4.3Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 VanDerWaalsContact O-CG 3.26Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.05Å
208	L	98.5	Very high	97.9	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-44.5	175.5	174.1	70.4	0	0	0	111.5	F200 R204 G205 I206 L211 Y212 L217 L227 L265 L269	F200-L208 HydrophobicContact CD1-CD2 4.43Å; F200-L208 HydrophobicContact CE1-CB 4.22Å; F200-L208 HydrophobicContact CE1-CD1 4.39Å; F200-L208 HydrophobicContact CE1-CD2 3.87Å; F200-L208 HydrophobicContact CE1-CG 4.38Å; F200-L208 HydrophobicContact CZ-CD2 4.18Å; R204-L208 WeakPolarHBondContact O-CB 3.39Å; R204-L208 PolarHBondContact O-N 3.31Å; G205-L208 WeakPolarHBondContact O-CB 3.38Å; G205-L208 PolarHBondContact O-N 3.31Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.33Å; L208-L211 PolarHBondContact O-N 2.89Å; L208-Y212 WeakPolarHBondContact O-CB 3.15Å; L208-Y212 PolarHBondContact O-N 3Å; L208-L217 HydrophobicContact CD1-CD1 3.54Å; L208-L217 HydrophobicContact CD1-CD2 3.97Å; L208-L217 HydrophobicContact CD1-CG 4.42Å; L208-L227 HydrophobicContact CD2-CD1 4.41Å; L208-L227 HydrophobicContact CD2-CD2 3.96Å; L208-L265 HydrophobicContact CD1-CD1 4.11Å; L208-L265 HydrophobicContact CD2-CD1 4.4Å; L208-L265 HydrophobicContact CG-CD1 4.19Å; L208-L269 HydrophobicContact CD1-CD2 4.13Å; L208-L269 HydrophobicContact CD2-CD1 4.04Å
209	L	98.3	Very high	97.9	Very high	41 Å²	41	53.7 Å²	53.7	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-42.8	176.9	-65.9	170.8	0	0	0	111.6	G205 I206 L207 L211 Y212 Y213 T260 L265	G205-L209 WeakPolarHBondContact O-CG 3.31Å; G205-L209 PolarHBondContact O-N 3.27Å; G205-L209 VanDerWaalsContact O-N 3.13Å; I206-L209 PolarHBondContact O-N 2.93Å; L207-L209 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.16Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-L211 PolarHBondContact O-N 2.8Å; L209-Y212 WeakPolarHBondContact O-CB 3.39Å; L209-Y212 PolarHBondContact O-N 2.72Å; L209-Y213 HydrophobicContact CB-CD2 4.46Å; L209-Y213 HydrophobicContact CD2-CE2 4.43Å; L209-Y213 WeakPolarHBondContact O-CD2 3.38Å; L209-Y213 PolarHBondContact O-N 3.14Å; L209-T260 HydrophobicContact CD1-CG2 3.86Å; L209-L265 HydrophobicContact CD2-CD2 3.86Å
210	L	98.4	Very high	97.9	Very high	97 Å²	97	55.6 Å²	55.6	51%	0.508	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-47.2	175.6	-179.1	143.3	0	0	0	111.1	I206 L207 Y212 Y213 T214	I206-L210 PolarHBondContact O-N 3.37Å; L207-L210 HydrophobicContact CD1-CD2 4.37Å; L207-L210 PolarHBondContact O-N 3.05Å; L210-Y212 VanDerWaalsContact C-N 3.31Å; L210-Y212 PolarHBondContact O-N 3.04Å; L210-Y213 PolarHBondContact O-N 2.91Å; L210-T214 HydrophobicContact CD2-CG2 4.39Å; L210-T214 HydrophobicContact CG-CG2 4.41Å; L210-T214 WeakPolarHBondContact O-CB 3.36Å; L210-T214 VanDerWaalsContact O-CG2 3.24Å; L210-T214 WeakPolarHBondContact O-CG2 3.44Å; L210-T214 PolarHBondContact O-N 2.97Å; L210-T214 PolarHBondContact O-OG1 2.84Å
211	L	98.6	Very high	97.8	Very high	20 Å²	20	59.6 Å²	59.6	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-38.7	176.3	-69	174.5	0	0	0	111.9	L207 L208 L209 T214 G215 L216 L217 V220	L207-L211 HydrophobicContact CD1-CD1 4.3Å; L207-L211 HydrophobicContact CD1-CG 4.1Å; L207-L211 HydrophobicContact CG-CD1 4.03Å; L207-L211 HydrophobicContact CG-CG 4.3Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 VanDerWaalsContact O-CG 3.26Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.05Å; L208-L211 PolarHBondContact O-N 2.89Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-L211 PolarHBondContact O-N 2.8Å; L211-T214 WeakPolarHBondContact CA-OG1 3.35Å; L211-T214 PolarHBondContact O-OG1 3.26Å; L211-G215 CarbonylContact O-C 3.57Å; L211-G215 PolarHBondContact O-N 2.84Å; L211-L216 HydrophobicContact CD2-CB 3.69Å; L211-L216 HydrophobicContact CD2-CD1 4.35Å; L211-L216 PolarHBondContact O-N 2.88Å; L211-L217 HydrophobicContact CB-CB 3.95Å; L211-L217 HydrophobicContact CB-CD1 4.39Å; L211-L217 PolarHBondContact O-N 2.81Å; L211-V220 HydrophobicContact CD1-CB 4.1Å; L211-V220 HydrophobicContact CD1-CG1 3.89Å; L211-V220 HydrophobicContact CD1-CG2 4.16Å; L211-V220 HydrophobicContact CD2-CG2 3.93Å
212	Y	98.5	Very high	97.8	Very high	36 Å²	36	60.3 Å²	60.3	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-50.1	176.9	173.8	-100.8	0	0	0	111.7	L23 L208 L209 L210 G215 L217 R262 L265	L23-Y212 HydrophobicContact CD1-CD2 4.28Å; L23-Y212 HydrophobicContact CD1-CE2 4.46Å; L23-Y212 HydrophobicContact CD2-CE2 4.04Å; L208-Y212 WeakPolarHBondContact O-CB 3.15Å; L208-Y212 PolarHBondContact O-N 3Å; L209-Y212 WeakPolarHBondContact O-CB 3.39Å; L209-Y212 PolarHBondContact O-N 2.72Å; L210-Y212 VanDerWaalsContact C-N 3.31Å; L210-Y212 PolarHBondContact O-N 3.04Å; Y212-G215 PolarHBondContact O-N 3.45Å; Y212-L217 HydrophobicContact CD2-CD2 4.2Å; Y212-R262 HydrophobicContact CE1-CB 4.14Å; Y212-R262 HydrophobicContact CE1-CG 3.88Å; Y212-L265 HydrophobicContact CD2-CB 3.82Å; Y212-L265 HydrophobicContact CD2-CD1 3.82Å; Y212-L265 HydrophobicContact CD2-CG 4.3Å; Y212-L265 HydrophobicContact CE2-CB 3.71Å; Y212-L265 HydrophobicContact CG-CB 4.33Å; Y212-L265 HydrophobicContact CG-CD1 4.13Å; Y212-L265 HydrophobicContact CG-CD2 4.44Å
213	Y	98.1	Very high	97.8	Very high	106 Å²	106	55.9 Å²	55.9	42%	0.416	29%	0.293	S	S	.	.	H	α-helix	trans	-74.6	-27.2	-176.3	-76.9	-66.4	0	0	0	113.8	L209 L210 G215 T259 R262	L209-Y213 HydrophobicContact CB-CD2 4.46Å; L209-Y213 HydrophobicContact CD2-CE2 4.43Å; L209-Y213 WeakPolarHBondContact O-CD2 3.38Å; L209-Y213 PolarHBondContact O-N 3.14Å; L210-Y213 PolarHBondContact O-N 2.91Å; Y213-G215 VanDerWaalsContact C-N 3.31Å; Y213-T259 WeakPolarHBondContact CE2-O 3.34Å; Y213-T259 VanDerWaalsContact OH-C 3.31Å; Y213-T259 VanDerWaalsContact OH-CA 3.31Å; Y213-T259 WeakPolarHBondContact OH-CA 3.45Å; Y213-T259 PolarHBondContact OH-O 2.56Å; Y213-R262 PolarHBondContact OH-NE 3.06Å; Y213-R262 PolarHBondContact OH-NH2 2.78Å
214	T	97.4	Very high	97.9	Very high	64 Å²	64	48.6 Å²	48.6	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-80.4	-12.5	172.6	55	0	0	0	0	113	Y15 L210 L211 L216	Y15-T214 PolarHBondContact OH-O 3.35Å; L210-T214 HydrophobicContact CD2-CG2 4.39Å; L210-T214 HydrophobicContact CG-CG2 4.41Å; L210-T214 WeakPolarHBondContact O-CB 3.36Å; L210-T214 VanDerWaalsContact O-CG2 3.24Å; L210-T214 WeakPolarHBondContact O-CG2 3.44Å; L210-T214 PolarHBondContact O-N 2.97Å; L210-T214 PolarHBondContact O-OG1 2.84Å; L211-T214 WeakPolarHBondContact CA-OG1 3.35Å; L211-T214 PolarHBondContact O-OG1 3.26Å; T214-L216 VanDerWaalsContact C-N 3.32Å
215	G	98.1	Very high	97.9	Very high	12 Å²	12	45.1 Å²	45.1	12%	0.124	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	7.4	-175.7	0	0	0	0	0	114.5	Y15 S19 L211 Y212 Y213 P218	Y15-G215 WeakPolarHBondContact OH-CA 3.23Å; Y15-G215 PolarHBondContact OH-O 3.4Å; S19-G215 WeakPolarHBondContact CB-O 3.46Å; S19-G215 VanDerWaalsContact OG-C 3.29Å; S19-G215 WeakPolarHBondContact OG-CA 3.39Å; S19-G215 PolarHBondContact OG-O 3.27Å; L211-G215 CarbonylContact O-C 3.57Å; L211-G215 PolarHBondContact O-N 2.84Å; Y212-G215 PolarHBondContact O-N 3.45Å; Y213-G215 VanDerWaalsContact C-N 3.31Å; G215-P218 VanDerWaalsContact O-CD 3.3Å; G215-P218 WeakPolarHBondContact O-CD 3.09Å
216	L	98.5	Very high	97.9	Very high	73 Å²	73	44.3 Å²	44.3	38%	0.382	24%	0.241	S	C	.	.			trans	-83.2	-20.3	-178.5	-68.5	174	0	0	0	113.5	Y15 L211 T214 P218 F219 V220	Y15-L216 HydrophobicContact CE2-CD2 4.28Å; Y15-L216 WeakPolarHBondContact OH-CD2 3.41Å; Y15-L216 PolarHBondContact OH-N 3.46Å; L211-L216 HydrophobicContact CD2-CB 3.69Å; L211-L216 HydrophobicContact CD2-CD1 4.35Å; L211-L216 PolarHBondContact O-N 2.88Å; T214-L216 VanDerWaalsContact C-N 3.32Å; L216-P218 VanDerWaalsContact C-N 3.34Å; L216-F219 PolarHBondContact O-N 2.82Å; L216-V220 PolarHBondContact O-N 3.14Å
217	L	98.6	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-49.3	-42.6	-177	179.3	59.2	0	0	0	115	L23 L208 L211 Y212 F219 V220 V222 L265 R272	L23-L217 HydrophobicContact CD1-CD2 4.26Å; L208-L217 HydrophobicContact CD1-CD1 3.54Å; L208-L217 HydrophobicContact CD1-CD2 3.97Å; L208-L217 HydrophobicContact CD1-CG 4.42Å; L211-L217 HydrophobicContact CB-CB 3.95Å; L211-L217 HydrophobicContact CB-CD1 4.39Å; L211-L217 PolarHBondContact O-N 2.81Å; Y212-L217 HydrophobicContact CD2-CD2 4.2Å; L217-F219 PolarHBondContact O-N 2.81Å; L217-F219 VanDerWaalsContact O-N 3.16Å; L217-V220 PolarHBondContact O-N 3.01Å; L217-V222 HydrophobicContact CD1-CG2 4.26Å; L217-L265 HydrophobicContact CD2-CD1 3.44Å; L217-L265 VanDerWaalsContact CD2-CD1 3.44Å; L217-R272 PolarHBondContact O-NH1 3.4Å
218	P	98.3	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.7	-20.7	-179.3	-20.7	34	0	0	0	114.1	S19 L22 L23 L29 H30 G215 L216	S19-P218 WeakPolarHBondContact O-CG 3.48Å; L22-P218 HydrophobicContact CB-CB 3.53Å; L22-P218 HydrophobicContact CB-CG 4.34Å; L23-P218 HydrophobicContact CB-CG 3.76Å; L23-P218 HydrophobicContact CD1-CG 3.96Å; L23-P218 HydrophobicContact CG-CG 4.49Å; L29-P218 WeakPolarHBondContact CD1-O 3.45Å; H30-P218 PolarHBondContact CD2-O 3.18Å; H30-P218 PolarHBondContact NE2-O 3Å; G215-P218 VanDerWaalsContact O-CD 3.3Å; G215-P218 WeakPolarHBondContact O-CD 3.09Å; L216-P218 VanDerWaalsContact C-N 3.34Å
219	F	98.2	Very high	97.6	Very high	80 Å²	80	39.9 Å²	39.9	35%	0.351	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-94.7	-14.8	-178.3	-52.7	-83.3	0	0	0	112.6	Y15 I18 L22 L29 L216 L217	Y15-F219 HydrophobicContact CE2-CE2 4.09Å; I18-F219 HydrophobicContact CG2-CE1 4.24Å; I18-F219 HydrophobicContact CG2-CZ 3.99Å; L22-F219 HydrophobicContact CD1-CD1 4.07Å; L22-F219 HydrophobicContact CD1-CE1 3.34Å; L22-F219 HydrophobicContact CD1-CZ 3.72Å; L29-F219 HydrophobicContact CD1-CD1 3.85Å; L29-F219 HydrophobicContact CD1-CE1 4.39Å; L216-F219 PolarHBondContact O-N 2.82Å; L217-F219 PolarHBondContact O-N 2.81Å; L217-F219 VanDerWaalsContact O-N 3.16Å
220	V	98.1	Very high	97.2	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.261	22%	0.216	S	C	.	.	S	Bend	trans	-97.7	128.2	-173.2	177.3	0	0	0	0	110.9	L211 L216 L217 R272	L211-V220 HydrophobicContact CD1-CB 4.1Å; L211-V220 HydrophobicContact CD1-CG1 3.89Å; L211-V220 HydrophobicContact CD1-CG2 4.16Å; L211-V220 HydrophobicContact CD2-CG2 3.93Å; L216-V220 PolarHBondContact O-N 3.14Å; L217-V220 PolarHBondContact O-N 3.01Å; V220-R272 PolarHBondContact O-NH1 3.09Å; V220-R272 PolarHBondContact O-NH2 3.13Å
221	P	97	Very high	96.8	Very high	97 Å²	97	36 Å²	36	63%	0.63	19%	0.191	S	C	*	.			trans	-67.1	140.8	171.8	28.2	-33.6	0	0	0	110.9
222	V	97.4	Very high	96.5	Very high	19 Å²	19	35 Å²	35	12%	0.115	19%	0.187	C	C	.	.			trans	-120.6	117	-179.3	179.2	0	0	0	0	108.3	F200 L217 E224 I274	F200-V222 HydrophobicContact CE1-CG1 4.16Å; F200-V222 HydrophobicContact CE2-CG1 4.39Å; F200-V222 HydrophobicContact CZ-CG1 3.56Å; L217-V222 HydrophobicContact CD1-CG2 4.26Å; V222-E224 HydrophobicContact CG1-CB 4.39Å; V222-E224 WeakPolarHBondContact CG1-OE2 3.22Å; V222-I274 HydrophobicContact CB-CD1 3.79Å; V222-I274 HydrophobicContact CG1-CD1 3.51Å
223	G	95.9	Very high	96	Very high	31 Å²	31	37.9 Å²	37.9	32%	0.32	20%	0.197	S	C	.	.			trans	-90	-21.6	-172.5	0	0	0	0	0	113.4	K33 Y198	K33-G223 VanDerWaalsContact NZ-C 3.31Å; K33-G223 PolarHBondContact NZ-O 3.43Å; Y198-G223 WeakPolarHBondContact CE1-O 3.49Å; Y198-G223 VanDerWaalsContact CZ-O 3.28Å; Y198-G223 VanDerWaalsContact OH-CA 3.27Å; Y198-G223 WeakPolarHBondContact OH-CA 3.26Å; Y198-G223 PolarHBondContact OH-O 3.29Å
224	E	97.7	Very high	95.5	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.033	18%	0.178	C	C	.	.			trans	-66.1	148.7	178.2	-64.7	76.5	-176.8	0	0	111.7	K33 Y198 S199 F200 R204 V222	K33-E224 PolarHBondContact NZ-O 2.88Å; Y198-E224 HydrophobicContact CD2-CG 4.09Å; Y198-E224 HydrophobicContact CE2-CB 4.24Å; Y198-E224 HydrophobicContact CE2-CG 3.67Å; S199-E224 WeakPolarHBondContact O-CG 3.4Å; F200-E224 HydrophobicContact CB-CG 4.39Å; F200-E224 HydrophobicContact CD1-CB 4.36Å; F200-E224 HydrophobicContact CD1-CG 3.92Å; F200-E224 HydrophobicContact CD2-CB 3.41Å; F200-E224 VanDerWaalsContact CD2-CB 3.41Å; F200-E224 HydrophobicContact CD2-CG 3.73Å; F200-E224 HydrophobicContact CE1-CB 4.26Å; F200-E224 HydrophobicContact CE1-CG 4.12Å; F200-E224 HydrophobicContact CE2-CB 3.31Å; F200-E224 HydrophobicContact CE2-CG 3.96Å; F200-E224 HydrophobicContact CG-CB 3.98Å; F200-E224 HydrophobicContact CG-CG 3.74Å; F200-E224 HydrophobicContact CZ-CB 3.78Å; F200-E224 HydrophobicContact CZ-CG 4.16Å; R204-E224 IonicContact CZ-OE1 2.77Å; R204-E224 VanDerWaalsContact CZ-OE1 3.24Å; R204-E224 IonicContact CZ-OE2 3.48Å; R204-E224 IonicContact NE-OE1 4Å; R204-E224 PolarHBondContact NE-OE1 3.35Å; R204-E224 IonicContact NH2-OE1 3.21Å; R204-E224 PolarHBondContact NH2-OE1 2.87Å; R204-E224 IonicContact NH2-OE2 3.31Å; R204-E224 PolarHBondContact NH2-OE2 2.64Å; V222-E224 HydrophobicContact CG1-CB 4.39Å; V222-E224 WeakPolarHBondContact CG1-OE2 3.22Å
225	S	97.9	Very high	95	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.063	16%	0.161	C	C	.	.	S	Bend	trans	-100.7	-29.5	-179.1	-65.8	0	0	0	0	112.9	K33 Y198 I274 Q275	K33-S225 PolarHBondContact NZ-OG 3.04Å; Y198-S225 PolarHBondContact O-N 2.78Å; S225-I274 WeakPolarHBondContact O-CA 3.47Å; S225-Q275 PolarHBondContact O-N 3.08Å
226	I	98	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.4	-175.2	-49.5	-166.8	0	0	0	110.7	F37 L177 S199 F200 Q228 Q275 H277	F37-I226 HydrophobicContact CE2-CD1 3.67Å; F37-I226 HydrophobicContact CZ-CD1 3.83Å; L177-I226 HydrophobicContact CD1-CB 4.49Å; L177-I226 HydrophobicContact CD1-CD1 3.92Å; L177-I226 HydrophobicContact CD1-CG1 3.93Å; L177-I226 HydrophobicContact CD2-CB 4.37Å; L177-I226 HydrophobicContact CD2-CD1 3.88Å; L177-I226 HydrophobicContact CD2-CG1 4.32Å; L177-I226 HydrophobicContact CG-CD1 4.5Å; S199-I226 CarbonylContact C-O 3.22Å; S199-I226 WeakPolarHBondContact CA-O 3.34Å; S199-I226 WeakPolarHBondContact CB-O 3.38Å; F200-I226 WeakPolarHBondContact CD2-O 3.47Å; F200-I226 PolarHBondContact N-O 3.46Å; I226-Q228 HydrophobicContact CG2-CG 3.93Å; I226-Q275 CarbonylContact C-O 3.52Å; I226-Q275 WeakPolarHBondContact CA-O 3.47Å; I226-Q275 HydrophobicContact CB-CB 4.49Å; I226-Q275 HydrophobicContact CG1-CB 4.14Å; I226-Q275 HydrophobicContact CG2-CB 4.17Å; I226-H277 HydrophobicContact CG2-CB 4.14Å; I226-H277 WeakPolarHBondContact CG2-ND1 3.46Å
227	L	97.9	Very high	93.8	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.073	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.7	165	177.2	64	0	0	0	108.7	F200 L208 F266 L269 Q275 V276 H277	F200-L227 HydrophobicContact CB-CD1 3.86Å; F200-L227 HydrophobicContact CD1-CD1 4.3Å; F200-L227 HydrophobicContact CD2-CB 3.74Å; F200-L227 HydrophobicContact CD2-CD1 3.96Å; F200-L227 HydrophobicContact CD2-CG 4.47Å; F200-L227 HydrophobicContact CE2-CB 3.89Å; F200-L227 HydrophobicContact CG-CB 4.45Å; F200-L227 HydrophobicContact CG-CD1 3.8Å; L208-L227 HydrophobicContact CD2-CD1 4.41Å; L208-L227 HydrophobicContact CD2-CD2 3.96Å; L227-F266 HydrophobicContact CD2-CE1 4.36Å; L227-L269 HydrophobicContact CB-CD1 4.45Å; L227-L269 HydrophobicContact CD2-CD1 3.74Å; L227-Q275 PolarHBondContact N-O 3.17Å; L227-V276 HydrophobicContact CD2-CG1 4.43Å; L227-V276 WeakPolarHBondContact O-CA 3.43Å; L227-H277 PolarHBondContact O-N 3.07Å
228	Q	96.1	Very high	93	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.14	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.5	170.8	-76.2	163.7	-28	0	0	108.9	S149 I226 H277 F279	S149-Q228 PolarHBondContact OG-NE2 3.02Å; I226-Q228 HydrophobicContact CG2-CG 3.93Å; Q228-H277 WeakPolarHBondContact CA-O 3.13Å; Q228-H277 HydrophobicContact CG-CB 3.95Å; Q228-F279 HydrophobicContact CB-CD1 4.31Å; Q228-F279 HydrophobicContact CB-CE1 4.48Å
229	F	92.6	Very high	92.3	Very high	57 Å²	57	36.5 Å²	36.5	25%	0.25	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	141.1	178.4	-163.2	-111.1	0	0	0	111.2	P232 T260 M261 H277 L278 F279	F229-P232 HydrophobicContact CE1-CG 4.01Å; F229-T260 HydrophobicContact CE1-CG2 4.02Å; F229-T260 HydrophobicContact CZ-CG2 4.16Å; F229-M261 HydrophobicContact CD1-CE 3.55Å; F229-M261 HydrophobicContact CE1-CE 3.94Å; F229-H277 PolarHBondContact N-O 2.91Å; F229-H277 VanDerWaalsContact N-O 3.14Å; F229-L278 HydrophobicContact CB-CD2 4.42Å; F229-L278 WeakPolarHBondContact O-CA 3.34Å; F229-F279 WeakPolarHBondContact O-CD1 3.22Å; F229-F279 PolarHBondContact O-N 3.27Å
230	Y	89.6	Confident	91.5	Very high	56 Å²	56	39.4 Å²	39.4	22%	0.22	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	147.9	176.6	56.1	-97.3	0	0	0	109.9	P232 I235 F279	Y230-P232 HydrophobicContact CD2-CG 4.34Å; Y230-P232 HydrophobicContact CE2-CB 4.28Å; Y230-P232 HydrophobicContact CE2-CG 4.15Å; Y230-P232 WeakPolarHBondContact O-CD 3.31Å; Y230-I235 HydrophobicContact CD2-CD1 3.86Å; Y230-I235 HydrophobicContact CD2-CG1 4.38Å; Y230-I235 HydrophobicContact CE2-CD1 3.33Å; Y230-I235 HydrophobicContact CE2-CG1 4.31Å; Y230-F279 HydrophobicContact CD1-CZ 4.09Å; Y230-F279 HydrophobicContact CG-CZ 4.44Å
231	L	91	Very high	90.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.			trans	-75.5	110.2	172.6	-173.2	70	0	0	0	109.4	R233 I234 M261 L278 F279 D286 A289 L293	L231-R233 HydrophobicContact CD2-CG 3.76Å; L231-R233 HydrophobicContact CG-CG 3.87Å; L231-R233 PolarHBondContact O-N 2.79Å; L231-I234 HydrophobicContact CB-CG2 4.18Å; L231-I234 HydrophobicContact CD2-CG2 4.37Å; L231-I234 WeakPolarHBondContact O-CD1 3.45Å; L231-I234 WeakPolarHBondContact O-CG1 3.41Å; L231-I234 WeakPolarHBondContact O-CG2 3.41Å; L231-I234 PolarHBondContact O-N 3.06Å; L231-M261 HydrophobicContact CD1-SD 3.87Å; L231-L278 HydrophobicContact CD1-CD1 4.01Å; L231-F279 PolarHBondContact N-O 3.41Å; L231-D286 HydrophobicContact CD2-CB 4.05Å; L231-A289 HydrophobicContact CD2-CB 4.23Å; L231-L293 HydrophobicContact CD1-CD1 3.84Å
232	P	91.8	Very high	88.9	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.6	-166	-28	38.1	0	0	0	114.8	F229 Y230 I234 I235 I253 I256 D257 M261	F229-P232 HydrophobicContact CE1-CG 4.01Å; Y230-P232 HydrophobicContact CD2-CG 4.34Å; Y230-P232 HydrophobicContact CE2-CB 4.28Å; Y230-P232 HydrophobicContact CE2-CG 4.15Å; Y230-P232 WeakPolarHBondContact O-CD 3.31Å; P232-I234 PolarHBondContact O-N 3.1Å; P232-I235 VanDerWaalsContact O-CB 3.3Å; P232-I235 WeakPolarHBondContact O-CB 3.49Å; P232-I235 WeakPolarHBondContact O-CG1 3.34Å; P232-I235 PolarHBondContact O-N 2.58Å; P232-I253 HydrophobicContact CB-CG2 4.42Å; P232-I253 WeakPolarHBondContact O-CG2 3.27Å; P232-I256 HydrophobicContact CB-CB 4.47Å; P232-I256 HydrophobicContact CB-CG2 3.9Å; P232-I256 HydrophobicContact CG-CG2 3.82Å; P232-D257 HydrophobicContact CB-CB 4.04Å; P232-D257 HydrophobicContact CG-CB 4.47Å; P232-M261 HydrophobicContact CG-CE 4.3Å; P232-M261 HydrophobicContact CG-CG 4.3Å
233	R	87.9	Confident	87.3	Confident	97 Å²	97	47.6 Å²	47.6	37%	0.366	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-61.1	-14.1	178.2	78.4	-168.5	58.1	-161.6	-8.5	115.3	L231 I235 D257	L231-R233 HydrophobicContact CD2-CG 3.76Å; L231-R233 HydrophobicContact CG-CG 3.87Å; L231-R233 PolarHBondContact O-N 2.79Å; R233-I235 VanDerWaalsContact C-N 3.32Å; R233-D257 IonicContact CZ-OD1 2.97Å; R233-D257 IonicContact NE-OD1 3.62Å; R233-D257 IonicContact NH2-OD1 2.99Å; R233-D257 PolarHBondContact NH2-OD1 3.18Å; R233-D257 IonicContact NH2-OD2 3.24Å
234	I	87.9	Confident	86.2	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-77.5	-22.7	175.1	77.3	-164.8	0	0	0	111.8	L231 P232 R237 T238 Y239 V280	L231-I234 HydrophobicContact CB-CG2 4.18Å; L231-I234 HydrophobicContact CD2-CG2 4.37Å; L231-I234 WeakPolarHBondContact O-CD1 3.45Å; L231-I234 WeakPolarHBondContact O-CG1 3.41Å; L231-I234 WeakPolarHBondContact O-CG2 3.41Å; L231-I234 PolarHBondContact O-N 3.06Å; P232-I234 PolarHBondContact O-N 3.1Å; I234-R237 PolarHBondContact O-N 3.32Å; I234-R237 VanDerWaalsContact O-N 3.1Å; I234-T238 PolarHBondContact O-N 2.73Å; I234-Y239 PolarHBondContact O-N 2.83Å; I234-V280 HydrophobicContact CD1-CB 3.78Å; I234-V280 HydrophobicContact CD1-CG1 3.61Å
235	I	86.5	Confident	85.3	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.041	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-64.5	136.8	178.9	-58.8	168.8	0	0	0	109.2	Y230 P232 R233 R237 Y239 P241 L247 I253	Y230-I235 HydrophobicContact CD2-CD1 3.86Å; Y230-I235 HydrophobicContact CD2-CG1 4.38Å; Y230-I235 HydrophobicContact CE2-CD1 3.33Å; Y230-I235 HydrophobicContact CE2-CG1 4.31Å; P232-I235 VanDerWaalsContact O-CB 3.3Å; P232-I235 WeakPolarHBondContact O-CB 3.49Å; P232-I235 WeakPolarHBondContact O-CG1 3.34Å; P232-I235 PolarHBondContact O-N 2.58Å; R233-I235 VanDerWaalsContact C-N 3.32Å; I235-R237 PolarHBondContact O-N 3.09Å; I235-Y239 CarbonylContact C-O 3.55Å; I235-Y239 HydrophobicContact CG1-CD1 4.14Å; I235-P241 HydrophobicContact CG2-CG 4.15Å; I235-L247 HydrophobicContact CG2-CB 4.45Å; I235-I253 HydrophobicContact CB-CD1 3.82Å; I235-I253 HydrophobicContact CB-CG1 4.16Å; I235-I253 HydrophobicContact CB-CG2 4.34Å; I235-I253 HydrophobicContact CD1-CD1 3.82Å; I235-I253 HydrophobicContact CG1-CD1 4.43Å; I235-I253 HydrophobicContact CG2-CD1 3.55Å; I235-I253 HydrophobicContact CG2-CG1 4.01Å
236	N	83.4	Confident	84.3	Confident	51 Å²	51	61.3 Å²	61.3	27%	0.273	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	3	-172.7	-53.3	-38.6	0	0	0	115.3	Y239 L247 K248	N236-Y239 PolarHBondContact N-O 3.48Å; N236-L247 PolarHBondContact ND2-O 2.82Å; N236-L247 PolarHBondContact OD1-O 3.32Å; N236-K248 PolarHBondContact ND2-O 2.97Å; N236-K248 WeakPolarHBondContact OD1-CA 3.41Å
237	R	87.4	Confident	83.4	Confident	89 Å²	89	62.9 Å²	62.9	34%	0.336	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-65.2	176.7	-169.9	177.2	65	118.2	12.9	111.9	I234 I235 E285 D286	I234-R237 PolarHBondContact O-N 3.32Å; I234-R237 VanDerWaalsContact O-N 3.1Å; I235-R237 PolarHBondContact O-N 3.09Å; R237-E285 IonicContact CZ-OE1 3.87Å; R237-E285 VanDerWaalsContact NH1-CD 3.33Å; R237-E285 IonicContact NH1-OE1 3.6Å; R237-E285 PolarHBondContact NH1-OE1 2.62Å; R237-D286 IonicContact CZ-OD1 3.62Å; R237-D286 IonicContact CZ-OD2 2.62Å; R237-D286 IonicContact NH2-OD1 3.61Å; R237-D286 PolarHBondContact NH2-OD1 2.95Å; R237-D286 IonicContact NH2-OD2 2.73Å; R237-D286 PolarHBondContact NH2-OD2 2.66Å
238	T	83.1	Confident	82.6	Confident	6 Å²	6	67.8 Å²	67.8	4%	0.037	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-18.2	178.4	59	0	0	0	0	112	F119 N120 A121 I234	F119-T238 CarbonylContact C-O 3.39Å; F119-T238 CarbonylContact O-C 3.4Å; F119-T238 WeakPolarHBondContact O-CB 3.25Å; F119-T238 VanDerWaalsContact O-O 3.14Å; F119-T238 PolarHBondContact O-OG1 3.09Å; N120-T238 WeakPolarHBondContact CA-O 3.17Å; N120-T238 PolarHBondContact N-O 3.09Å; A121-T238 PolarHBondContact N-O 3.37Å; I234-T238 PolarHBondContact O-N 2.73Å
239	Y	83.6	Confident	82.2	Confident	71 Å²	71	71.6 Å²	71.6	28%	0.278	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-120.3	126	173.8	175.6	-116.1	0	0	0	110.5	F119 I234 I235 N236 P241	F119-Y239 HydrophobicContact CD1-CD1 4.37Å; F119-Y239 AromaticContact CD1-CD2 3.46Å; F119-Y239 HydrophobicContact CD1-CD2 3.46Å; F119-Y239 VanDerWaalsContact CD1-CD2 3.46Å; F119-Y239 HydrophobicContact CD1-CE2 4.04Å; F119-Y239 AromaticContact CD1-CG 3.65Å; F119-Y239 HydrophobicContact CD1-CG 3.65Å; F119-Y239 HydrophobicContact CE1-CD1 4.42Å; F119-Y239 AromaticContact CE1-CD2 3.84Å; F119-Y239 HydrophobicContact CE1-CD2 3.84Å; F119-Y239 AromaticContact CE1-CE2 3.95Å; F119-Y239 HydrophobicContact CE1-CE2 3.95Å; F119-Y239 HydrophobicContact CE1-CG 4.08Å; F119-Y239 HydrophobicContact CG-CD2 4.33Å; I234-Y239 PolarHBondContact O-N 2.83Å; I235-Y239 CarbonylContact C-O 3.55Å; I235-Y239 HydrophobicContact CG1-CD1 4.14Å; N236-Y239 PolarHBondContact N-O 3.48Å; Y239-P241 HydrophobicContact CE1-CB 3.85Å; Y239-P241 HydrophobicContact CE1-CG 4.22Å
240	K	80.3	Confident	81.9	Confident	141 Å²	141	73.3 Å²	73.3	61%	0.613	35%	0.351	S	S	*	.			trans	-118.6	99.1	179.3	-67.7	179.7	-176.3	172.6	0	108.6	E242	K240-E242 PolarHBondContact O-N 3.1Å
241	P	76	Confident	81.9	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.039	37%	0.371	C	S	.	.			trans	-68.2	119.7	-179.6	27.2	-32.9	0	0	0	109.8	I235 Y239 N243 T244 L247	I235-P241 HydrophobicContact CG2-CG 4.15Å; Y239-P241 HydrophobicContact CE1-CB 3.85Å; Y239-P241 HydrophobicContact CE1-CG 4.22Å; P241-N243 PolarHBondContact O-N 3.21Å; P241-T244 WeakPolarHBondContact CB-OG1 3.42Å; P241-L247 HydrophobicContact CG-CB 3.84Å; P241-L247 HydrophobicContact CG-CD1 4.28Å
242	E	65.9	Low	81.9	Confident	167 Å²	167	79.4 Å²	79.4	78%	0.78	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.6	-174.3	-62	-171.2	156.2	0	0	111.8	K240	K240-E242 PolarHBondContact O-N 3.1Å
243	N	63.5	Low	81.9	Confident	158 Å²	158	80 Å²	80	85%	0.845	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	14.7	-167.4	-68.2	-26.8	0	0	0	115.8	P241	P241-N243 PolarHBondContact O-N 3.21Å
244	T	72.9	Confident	82	Confident	58 Å²	58	77.9 Å²	77.9	36%	0.356	38%	0.378	S	S	.	.			trans	-134.4	90.6	179.2	31.7	0	0	0	0	112.9	P241 V246 L247	P241-T244 WeakPolarHBondContact CB-OG1 3.42Å; T244-V246 PolarHBondContact O-N 3.38Å; T244-L247 HydrophobicContact CG2-CD1 4.41Å; T244-L247 PolarHBondContact O-N 3.43Å
245	K	77.3	Confident	82.3	Confident	186 Å²	186	82.3 Å²	82.3	81%	0.809	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.5	174.8	-67.7	-176.1	-178.7	177.9	0	113.2
246	V	77.9	Confident	82.6	Confident	91 Å²	91	83.5 Å²	83.5	55%	0.552	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-41.9	179.3	178.2	0	0	0	0	111.9	T244 K248 K249 V252	T244-V246 PolarHBondContact O-N 3.38Å; V246-K248 PolarHBondContact O-N 3.23Å; V246-K249 PolarHBondContact O-N 3.13Å; V246-V252 HydrophobicContact CG1-CG1 4.05Å; V246-V252 HydrophobicContact CG1-CG2 4.18Å
247	L	79.8	Confident	83	Confident	33 Å²	33	82.6 Å²	82.6	17%	0.173	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.4	179.5	-67.3	-175.9	0	0	0	113	I235 N236 P241 T244 K249 V252 I253 I256	I235-L247 HydrophobicContact CG2-CB 4.45Å; N236-L247 PolarHBondContact ND2-O 2.82Å; N236-L247 PolarHBondContact OD1-O 3.32Å; P241-L247 HydrophobicContact CG-CB 3.84Å; P241-L247 HydrophobicContact CG-CD1 4.28Å; T244-L247 HydrophobicContact CG2-CD1 4.41Å; T244-L247 PolarHBondContact O-N 3.43Å; L247-K249 PolarHBondContact O-N 3.06Å; L247-V252 HydrophobicContact CD2-CG1 4.37Å; L247-I253 HydrophobicContact CB-CD1 4.31Å; L247-I253 HydrophobicContact CD2-CD1 3.93Å; L247-I253 WeakPolarHBondContact O-CD1 3.36Å; L247-I253 WeakPolarHBondContact O-CG1 3.3Å; L247-I256 HydrophobicContact CD2-CD1 3.52Å
248	K	80.8	Confident	83.3	Confident	118 Å²	118	84.3 Å²	84.3	51%	0.513	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-14	172.6	-60.9	-173.6	-178.7	-177.1	0	113.8	N236 V246	N236-K248 PolarHBondContact ND2-O 2.97Å; N236-K248 WeakPolarHBondContact OD1-CA 3.41Å; V246-K248 PolarHBondContact O-N 3.23Å
249	K	86.7	Confident	83.9	Confident	109 Å²	109	86.3 Å²	86.3	47%	0.474	42%	0.424	S	S	.	.			trans	-88	117.2	-177.7	-62.5	-177.7	-179.7	-176.4	0	110.6	V246 L247 W251 V252 I253	V246-K249 PolarHBondContact O-N 3.13Å; L247-K249 PolarHBondContact O-N 3.06Å; K249-W251 VanDerWaalsContact C-N 3.26Å; K249-W251 HydrophobicContact CD-CZ2 4.24Å; K249-W251 PolarHBondContact O-N 3.02Å; K249-W251 VanDerWaalsContact O-N 3.16Å; K249-V252 HydrophobicContact CB-CB 4.26Å; K249-V252 HydrophobicContact CB-CG2 3.76Å; K249-V252 HydrophobicContact CD-CG2 4.39Å; K249-V252 WeakPolarHBondContact O-CB 3.23Å; K249-V252 PolarHBondContact O-N 3.43Å; K249-I253 PolarHBondContact O-N 3.07Å
250	S	86.4	Confident	84.5	Confident	94 Å²	94	83.6 Å²	83.6	66%	0.657	42%	0.415	S	S	*	.	H	α-helix	trans	-56.9	-33.7	-177.2	-53.2	0	0	0	0	114.4	V252 I253 S254	S250-V252 VanDerWaalsContact C-N 3.33Å; S250-V252 PolarHBondContact O-N 3.12Å; S250-I253 PolarHBondContact O-N 2.76Å; S250-S254 PolarHBondContact O-N 3.5Å
251	W	90.8	Very high	85.2	Confident	171 Å²	171	77.4 Å²	77.4	65%	0.648	39%	0.389	S	S	*	.	H	α-helix	trans	-68.4	-32	176.6	70.9	-99	0	0	0	112.6	K249 S254 L255	K249-W251 VanDerWaalsContact C-N 3.26Å; K249-W251 HydrophobicContact CD-CZ2 4.24Å; K249-W251 PolarHBondContact O-N 3.02Å; K249-W251 VanDerWaalsContact O-N 3.16Å; W251-S254 PolarHBondContact O-N 3.06Å; W251-L255 HydrophobicContact CZ3-CD2 4.47Å; W251-L255 WeakPolarHBondContact O-CB 3.4Å; W251-L255 PolarHBondContact O-N 3.44Å
252	V	91	Very high	86.2	Confident	13 Å²	13	81.4 Å²	81.4	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-65.9	-45.3	174.1	175.6	0	0	0	0	109.1	V246 L247 K249 S250 S254 L255 I256	V246-V252 HydrophobicContact CG1-CG1 4.05Å; V246-V252 HydrophobicContact CG1-CG2 4.18Å; L247-V252 HydrophobicContact CD2-CG1 4.37Å; K249-V252 HydrophobicContact CB-CB 4.26Å; K249-V252 HydrophobicContact CB-CG2 3.76Å; K249-V252 HydrophobicContact CD-CG2 4.39Å; K249-V252 WeakPolarHBondContact O-CB 3.23Å; K249-V252 PolarHBondContact O-N 3.43Å; S250-V252 VanDerWaalsContact C-N 3.33Å; S250-V252 PolarHBondContact O-N 3.12Å; V252-S254 VanDerWaalsContact C-N 3.33Å; V252-S254 PolarHBondContact O-N 3.16Å; V252-L255 WeakPolarHBondContact O-CB 3.42Å; V252-L255 PolarHBondContact O-N 2.66Å; V252-L255 VanDerWaalsContact O-N 3.15Å; V252-I256 HydrophobicContact CG1-CD1 3.9Å; V252-I256 HydrophobicContact CG1-CG1 4.43Å; V252-I256 WeakPolarHBondContact O-CG1 3.45Å; V252-I256 PolarHBondContact O-N 2.93Å
253	I	90.3	Very high	87.7	Confident	13 Å²	13	79.4 Å²	79.4	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-41.4	176.8	-57.3	-48	0	0	0	111.2	P232 I235 L247 K249 S250 L255 I256 D257	P232-I253 HydrophobicContact CB-CG2 4.42Å; P232-I253 WeakPolarHBondContact O-CG2 3.27Å; I235-I253 HydrophobicContact CB-CD1 3.82Å; I235-I253 HydrophobicContact CB-CG1 4.16Å; I235-I253 HydrophobicContact CB-CG2 4.34Å; I235-I253 HydrophobicContact CD1-CD1 3.82Å; I235-I253 HydrophobicContact CG1-CD1 4.43Å; I235-I253 HydrophobicContact CG2-CD1 3.55Å; I235-I253 HydrophobicContact CG2-CG1 4.01Å; L247-I253 HydrophobicContact CB-CD1 4.31Å; L247-I253 HydrophobicContact CD2-CD1 3.93Å; L247-I253 WeakPolarHBondContact O-CD1 3.36Å; L247-I253 WeakPolarHBondContact O-CG1 3.3Å; K249-I253 PolarHBondContact O-N 3.07Å; S250-I253 PolarHBondContact O-N 2.76Å; I253-L255 VanDerWaalsContact C-N 3.29Å; I253-L255 PolarHBondContact O-N 2.94Å; I253-I256 HydrophobicContact CD1-CD1 4.34Å; I253-I256 PolarHBondContact O-N 2.98Å; I253-D257 WeakPolarHBondContact O-CB 3.45Å; I253-D257 PolarHBondContact O-N 3.48Å
254	S	91.3	Very high	89.3	Confident	51 Å²	51	76.3 Å²	76.3	36%	0.357	38%	0.375	S	S	.	.	H	α-helix	trans	-60	-40.2	174	-167.9	0	0	0	0	112.2	S250 W251 V252 K258	S250-S254 PolarHBondContact O-N 3.5Å; W251-S254 PolarHBondContact O-N 3.06Å; V252-S254 VanDerWaalsContact C-N 3.33Å; V252-S254 PolarHBondContact O-N 3.16Å; S254-K258 VanDerWaalsContact O-CB 3.31Å; S254-K258 WeakPolarHBondContact O-CB 3.48Å; S254-K258 VanDerWaalsContact O-CG 3.24Å; S254-K258 WeakPolarHBondContact O-CG 3.29Å; S254-K258 PolarHBondContact O-N 3.01Å
255	L	93.2	Very high	90.5	Very high	94 Å²	94	73.7 Å²	73.7	49%	0.492	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-44.2	176	-178.2	64	0	0	0	111.4	W251 V252 I253 K258 T259	W251-L255 HydrophobicContact CZ3-CD2 4.47Å; W251-L255 WeakPolarHBondContact O-CB 3.4Å; W251-L255 PolarHBondContact O-N 3.44Å; V252-L255 WeakPolarHBondContact O-CB 3.42Å; V252-L255 PolarHBondContact O-N 2.66Å; V252-L255 VanDerWaalsContact O-N 3.15Å; I253-L255 VanDerWaalsContact C-N 3.29Å; I253-L255 PolarHBondContact O-N 2.94Å; L255-K258 PolarHBondContact O-N 3.31Å; L255-T259 HydrophobicContact CD1-CG2 4.02Å; L255-T259 HydrophobicContact CG-CG2 4.4Å; L255-T259 WeakPolarHBondContact O-CB 3.42Å; L255-T259 VanDerWaalsContact O-CG2 3.23Å; L255-T259 WeakPolarHBondContact O-CG2 3.48Å; L255-T259 PolarHBondContact O-N 2.87Å; L255-T259 PolarHBondContact O-OG1 2.86Å
256	I	93	Very high	91.6	Very high	33 Å²	33	65 Å²	65	17%	0.169	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-48.3	176.4	-66.4	169	0	0	0	110.3	P232 L247 V252 I253 K258 T259 T260	P232-I256 HydrophobicContact CB-CB 4.47Å; P232-I256 HydrophobicContact CB-CG2 3.9Å; P232-I256 HydrophobicContact CG-CG2 3.82Å; L247-I256 HydrophobicContact CD2-CD1 3.52Å; V252-I256 HydrophobicContact CG1-CD1 3.9Å; V252-I256 HydrophobicContact CG1-CG1 4.43Å; V252-I256 WeakPolarHBondContact O-CG1 3.45Å; V252-I256 PolarHBondContact O-N 2.93Å; I253-I256 HydrophobicContact CD1-CD1 4.34Å; I253-I256 PolarHBondContact O-N 2.98Å; I256-K258 PolarHBondContact O-N 2.77Å; I256-T259 WeakPolarHBondContact CA-OG1 3.34Å; I256-T259 PolarHBondContact O-N 3.35Å; I256-T259 PolarHBondContact O-OG1 2.98Å; I256-T259 VanDerWaalsContact O-OG1 3.1Å; I256-T260 HydrophobicContact CG2-CG2 4.06Å; I256-T260 WeakPolarHBondContact O-CB 3.04Å; I256-T260 WeakPolarHBondContact O-CG2 3.3Å; I256-T260 PolarHBondContact O-N 3.24Å; I256-T260 PolarHBondContact O-OG1 3.48Å
257	D	92.9	Very high	92.5	Very high	33 Å²	33	66 Å²	66	18%	0.176	32%	0.318	C	S	.	.	H	α-helix	trans	-57.3	-52	177.2	-171.6	87.7	0	0	0	110.3	P232 R233 I253 T259 T260 M261	P232-D257 HydrophobicContact CB-CB 4.04Å; P232-D257 HydrophobicContact CG-CB 4.47Å; R233-D257 IonicContact CZ-OD1 2.97Å; R233-D257 IonicContact NE-OD1 3.62Å; R233-D257 IonicContact NH2-OD1 2.99Å; R233-D257 PolarHBondContact NH2-OD1 3.18Å; R233-D257 IonicContact NH2-OD2 3.24Å; I253-D257 WeakPolarHBondContact O-CB 3.45Å; I253-D257 PolarHBondContact O-N 3.48Å; D257-T259 VanDerWaalsContact C-N 3.29Å; D257-T259 PolarHBondContact O-N 2.91Å; D257-T260 PolarHBondContact O-N 3.38Å; D257-M261 WeakPolarHBondContact O-CB 3.35Å; D257-M261 PolarHBondContact O-N 3.04Å
258	K	93.8	Very high	93.4	Very high	125 Å²	125	64.4 Å²	64.4	54%	0.543	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-38.2	178	-75	173.8	-175.5	174.9	0	112.4	S254 L255 I256 R262	S254-K258 VanDerWaalsContact O-CB 3.31Å; S254-K258 WeakPolarHBondContact O-CB 3.48Å; S254-K258 VanDerWaalsContact O-CG 3.24Å; S254-K258 WeakPolarHBondContact O-CG 3.29Å; S254-K258 PolarHBondContact O-N 3.01Å; L255-K258 PolarHBondContact O-N 3.31Å; I256-K258 PolarHBondContact O-N 2.77Å; K258-R262 PolarHBondContact O-NE 3.42Å; K258-R262 PolarHBondContact O-NH1 2.99Å; K258-R262 PolarHBondContact O-NH2 3.45Å
259	T	94.6	Very high	94.3	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-81.5	-32.9	-175.7	51.6	0	0	0	0	113.2	Y213 L255 I256 D257	Y213-T259 WeakPolarHBondContact CE2-O 3.34Å; Y213-T259 VanDerWaalsContact OH-C 3.31Å; Y213-T259 VanDerWaalsContact OH-CA 3.31Å; Y213-T259 WeakPolarHBondContact OH-CA 3.45Å; Y213-T259 PolarHBondContact OH-O 2.56Å; L255-T259 HydrophobicContact CD1-CG2 4.02Å; L255-T259 HydrophobicContact CG-CG2 4.4Å; L255-T259 WeakPolarHBondContact O-CB 3.42Å; L255-T259 VanDerWaalsContact O-CG2 3.23Å; L255-T259 WeakPolarHBondContact O-CG2 3.48Å; L255-T259 PolarHBondContact O-N 2.87Å; L255-T259 PolarHBondContact O-OG1 2.86Å; I256-T259 WeakPolarHBondContact CA-OG1 3.34Å; I256-T259 PolarHBondContact O-N 3.35Å; I256-T259 PolarHBondContact O-OG1 2.98Å; I256-T259 VanDerWaalsContact O-OG1 3.1Å; D257-T259 VanDerWaalsContact C-N 3.29Å; D257-T259 PolarHBondContact O-N 2.91Å
260	T	95.8	Very high	94.8	Very high	14 Å²	14	55 Å²	55	9%	0.086	27%	0.274	C	S	.	.	H	α-helix	trans	-96.3	-36.4	-174.1	60.8	0	0	0	0	113	L209 F229 I256 D257 R262	L209-T260 HydrophobicContact CD1-CG2 3.86Å; F229-T260 HydrophobicContact CE1-CG2 4.02Å; F229-T260 HydrophobicContact CZ-CG2 4.16Å; I256-T260 HydrophobicContact CG2-CG2 4.06Å; I256-T260 WeakPolarHBondContact O-CB 3.04Å; I256-T260 WeakPolarHBondContact O-CG2 3.3Å; I256-T260 PolarHBondContact O-N 3.24Å; I256-T260 PolarHBondContact O-OG1 3.48Å; D257-T260 PolarHBondContact O-N 3.38Å; T260-R262 PolarHBondContact O-N 3.03Å
261	M	96.1	Very high	95.3	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.059	25%	0.251	C	S	.	.			trans	-87.5	74.1	-172.6	-60.7	-62.9	103.1	0	0	111.8	F229 L231 P232 D257 F266 L278 L293	F229-M261 HydrophobicContact CD1-CE 3.55Å; F229-M261 HydrophobicContact CE1-CE 3.94Å; L231-M261 HydrophobicContact CD1-SD 3.87Å; P232-M261 HydrophobicContact CG-CE 4.3Å; P232-M261 HydrophobicContact CG-CG 4.3Å; D257-M261 WeakPolarHBondContact O-CB 3.35Å; D257-M261 PolarHBondContact O-N 3.04Å; M261-F266 HydrophobicContact CE-CZ 3.83Å; M261-F266 HydrophobicContact SD-CE2 4.2Å; M261-F266 HydrophobicContact SD-CZ 3.96Å; M261-L278 HydrophobicContact CE-CD2 4.22Å; M261-L278 HydrophobicContact SD-CD1 4.04Å; M261-L278 HydrophobicContact SD-CD2 4.22Å; M261-L293 HydrophobicContact CB-CD1 3.84Å; M261-L293 HydrophobicContact CB-CD2 3.95Å; M261-L293 HydrophobicContact CG-CD1 4.02Å; M261-L293 HydrophobicContact SD-CD1 3.87Å
262	R	96.9	Very high	95.7	Very high	90 Å²	90	44.4 Å²	44.4	34%	0.34	22%	0.222	S	C	.	.			trans	-110.1	115	-176.5	-63.3	-57.9	-163.4	-169.2	-3.3	112.4	Y212 Y213 K258 T260 N264 L265 F266	Y212-R262 HydrophobicContact CE1-CB 4.14Å; Y212-R262 HydrophobicContact CE1-CG 3.88Å; Y213-R262 PolarHBondContact OH-NE 3.06Å; Y213-R262 PolarHBondContact OH-NH2 2.78Å; K258-R262 PolarHBondContact O-NE 3.42Å; K258-R262 PolarHBondContact O-NH1 2.99Å; K258-R262 PolarHBondContact O-NH2 3.45Å; T260-R262 PolarHBondContact O-N 3.03Å; R262-N264 VanDerWaalsContact C-N 3.31Å; R262-N264 PolarHBondContact O-N 2.73Å; R262-L265 HydrophobicContact CB-CB 3.83Å; R262-L265 WeakPolarHBondContact O-CB 3.24Å; R262-L265 PolarHBondContact O-N 3.2Å; R262-F266 PolarHBondContact O-N 3.21Å
263	K	97.3	Very high	96	Very high	125 Å²	125	44.4 Å²	44.4	54%	0.543	22%	0.224	S	C	.	.	H	α-helix	trans	-53.6	-43.5	178.1	-59.2	-163.5	-177.3	-157.3	0	113.6	L265 F266 K267 D292 L293	K263-L265 VanDerWaalsContact C-N 3.33Å; K263-L265 PolarHBondContact O-N 3.19Å; K263-F266 PolarHBondContact O-N 3.27Å; K263-K267 VanDerWaalsContact O-CB 3.3Å; K263-K267 WeakPolarHBondContact O-CB 3.18Å; K263-K267 PolarHBondContact O-N 2.97Å; K263-D292 WeakPolarHBondContact CE-O 3.48Å; K263-D292 PolarHBondContact NZ-O 3.27Å; K263-L293 WeakPolarHBondContact CA-O 3.43Å; K263-L293 HydrophobicContact CG-CD2 4.42Å
264	N	97.6	Very high	96.4	Very high	93 Å²	93	43.9 Å²	43.9	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-33.3	-179.9	-65.3	-26.2	0	0	0	112.4	R262 H268	R262-N264 VanDerWaalsContact C-N 3.31Å; R262-N264 PolarHBondContact O-N 2.73Å; N264-H268 VanDerWaalsContact O-CB 3.29Å; N264-H268 WeakPolarHBondContact O-CB 3.12Å; N264-H268 PolarHBondContact O-N 3.23Å
265	L	98.3	Very high	96.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-50.8	173.6	174.2	58	0	0	0	110	L208 L209 Y212 L217 R262 K263 K267 H268 L269	L208-L265 HydrophobicContact CD1-CD1 4.11Å; L208-L265 HydrophobicContact CD2-CD1 4.4Å; L208-L265 HydrophobicContact CG-CD1 4.19Å; L209-L265 HydrophobicContact CD2-CD2 3.86Å; Y212-L265 HydrophobicContact CD2-CB 3.82Å; Y212-L265 HydrophobicContact CD2-CD1 3.82Å; Y212-L265 HydrophobicContact CD2-CG 4.3Å; Y212-L265 HydrophobicContact CE2-CB 3.71Å; Y212-L265 HydrophobicContact CG-CB 4.33Å; Y212-L265 HydrophobicContact CG-CD1 4.13Å; Y212-L265 HydrophobicContact CG-CD2 4.44Å; L217-L265 HydrophobicContact CD2-CD1 3.44Å; L217-L265 VanDerWaalsContact CD2-CD1 3.44Å; R262-L265 HydrophobicContact CB-CB 3.83Å; R262-L265 WeakPolarHBondContact O-CB 3.24Å; R262-L265 PolarHBondContact O-N 3.2Å; K263-L265 VanDerWaalsContact C-N 3.33Å; K263-L265 PolarHBondContact O-N 3.19Å; L265-K267 VanDerWaalsContact C-N 3.35Å; L265-K267 PolarHBondContact O-N 3.47Å; L265-H268 WeakPolarHBondContact O-CB 3.38Å; L265-H268 PolarHBondContact O-N 2.98Å; L265-L269 HydrophobicContact CD1-CD1 4.36Å; L265-L269 HydrophobicContact CD1-CG 4.36Å; L265-L269 HydrophobicContact CG-CD1 4.44Å; L265-L269 WeakPolarHBondContact O-CG 3.3Å; L265-L269 PolarHBondContact O-N 2.87Å
266	F	98.3	Very high	96.9	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-41.4	-178.7	-62.2	-10.7	0	0	0	111.8	L227 M261 R262 K263 H268 L269 A270 V276 L278 L293	L227-F266 HydrophobicContact CD2-CE1 4.36Å; M261-F266 HydrophobicContact CE-CZ 3.83Å; M261-F266 HydrophobicContact SD-CE2 4.2Å; M261-F266 HydrophobicContact SD-CZ 3.96Å; R262-F266 PolarHBondContact O-N 3.21Å; K263-F266 PolarHBondContact O-N 3.27Å; F266-H268 PolarHBondContact O-N 3.16Å; F266-L269 PolarHBondContact O-N 3.1Å; F266-A270 WeakPolarHBondContact O-CB 3.43Å; F266-A270 PolarHBondContact O-N 3.34Å; F266-V276 HydrophobicContact CB-CG2 4.24Å; F266-V276 HydrophobicContact CD1-CG1 3.88Å; F266-V276 HydrophobicContact CD1-CG2 4.27Å; F266-V276 HydrophobicContact CD2-CG1 4.14Å; F266-V276 HydrophobicContact CE1-CG1 4.06Å; F266-V276 HydrophobicContact CE2-CG1 4.31Å; F266-V276 HydrophobicContact CG-CG1 3.94Å; F266-V276 HydrophobicContact CG-CG2 4.37Å; F266-V276 HydrophobicContact CZ-CG1 4.27Å; F266-L278 HydrophobicContact CE2-CD1 4.02Å; F266-L278 HydrophobicContact CE2-CD2 4.39Å; F266-L278 HydrophobicContact CZ-CD2 4.21Å; F266-L293 HydrophobicContact CD2-CB 4.23Å; F266-L293 WeakPolarHBondContact CD2-O 3.2Å; F266-L293 HydrophobicContact CE2-CB 4.09Å
267	K	98.4	Very high	97.2	Very high	112 Å²	112	35.5 Å²	35.5	49%	0.487	17%	0.174	S	C	.	.	H	α-helix	trans	-59	-46.5	172.5	176.7	163.8	172.8	45.4	0	111.9	K263 L265 L269 A270 D271	K263-K267 VanDerWaalsContact O-CB 3.3Å; K263-K267 WeakPolarHBondContact O-CB 3.18Å; K263-K267 PolarHBondContact O-N 2.97Å; L265-K267 VanDerWaalsContact C-N 3.35Å; L265-K267 PolarHBondContact O-N 3.47Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 2.99Å; K267-A270 PolarHBondContact O-N 3.38Å; K267-D271 WeakPolarHBondContact CE-OD2 3.47Å; K267-D271 WeakPolarHBondContact CG-OD2 3.37Å; K267-D271 VanDerWaalsContact NZ-CG 3.29Å; K267-D271 IonicContact NZ-OD1 2.56Å; K267-D271 PolarHBondContact NZ-OD1 3.18Å; K267-D271 IonicContact NZ-OD2 2.66Å; K267-D271 PolarHBondContact NZ-OD2 3.37Å; K267-D271 WeakPolarHBondContact O-CB 3.38Å; K267-D271 PolarHBondContact O-N 3.04Å
268	H	98.5	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-43.9	177.7	178.1	84.1	0	0	0	112.1	L23 N264 L265 F266 R272	L23-H268 HydrophobicContact CD1-CB 4.05Å; L23-H268 HydrophobicContact CG-CB 4.48Å; L23-H268 PolarHBondContact O-ND1 3.22Å; N264-H268 VanDerWaalsContact O-CB 3.29Å; N264-H268 WeakPolarHBondContact O-CB 3.12Å; N264-H268 PolarHBondContact O-N 3.23Å; L265-H268 WeakPolarHBondContact O-CB 3.38Å; L265-H268 PolarHBondContact O-N 2.98Å; F266-H268 PolarHBondContact O-N 3.16Å; H268-R272 WeakPolarHBondContact NE2-CD 3.4Å; H268-R272 PolarHBondContact NE2-NH1 3.43Å; H268-R272 VanDerWaalsContact NE2-NH1 3.16Å; H268-R272 VanDerWaalsContact O-CG 3.3Å; H268-R272 WeakPolarHBondContact O-CG 3.34Å; H268-R272 PolarHBondContact O-N 3.47Å; H268-R272 VanDerWaalsContact O-N 3.14Å
269	L	98.4	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-47.7	176	-66.5	176.9	0	0	0	111.7	L208 L227 L265 F266 K267 D271 R272 G273 I274 V276	L208-L269 HydrophobicContact CD1-CD2 4.13Å; L208-L269 HydrophobicContact CD2-CD1 4.04Å; L227-L269 HydrophobicContact CB-CD1 4.45Å; L227-L269 HydrophobicContact CD2-CD1 3.74Å; L265-L269 HydrophobicContact CD1-CD1 4.36Å; L265-L269 HydrophobicContact CD1-CG 4.36Å; L265-L269 HydrophobicContact CG-CD1 4.44Å; L265-L269 WeakPolarHBondContact O-CG 3.3Å; L265-L269 PolarHBondContact O-N 2.87Å; F266-L269 PolarHBondContact O-N 3.1Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 2.99Å; L269-D271 PolarHBondContact O-N 3.48Å; L269-R272 CarbonylContact O-C 3.55Å; L269-R272 WeakPolarHBondContact O-CA 3.3Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 2.82Å; L269-G273 PolarHBondContact O-N 3.44Å; L269-G273 VanDerWaalsContact O-N 3.16Å; L269-I274 CarbonylContact C-O 3.6Å; L269-I274 HydrophobicContact CB-CB 4.11Å; L269-I274 HydrophobicContact CB-CG2 4.32Å; L269-I274 HydrophobicContact CD2-CD1 3.92Å; L269-I274 HydrophobicContact CD2-CG2 4.41Å; L269-I274 WeakPolarHBondContact O-CB 3.34Å; L269-I274 PolarHBondContact O-N 3.33Å; L269-V276 HydrophobicContact CB-CG2 4.06Å; L269-V276 HydrophobicContact CD1-CG2 3.91Å
270	A	97.9	Very high	96.2	Very high	29 Å²	29	27.3 Å²	27.3	24%	0.24	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-40.9	179.8	0	0	0	0	0	112.4	F266 K267 R272 G273 I274 T296	F266-A270 WeakPolarHBondContact O-CB 3.43Å; F266-A270 PolarHBondContact O-N 3.34Å; K267-A270 PolarHBondContact O-N 3.38Å; A270-R272 PolarHBondContact O-N 3.34Å; A270-G273 WeakPolarHBondContact O-CA 3.3Å; A270-G273 PolarHBondContact O-N 2.89Å; A270-I274 WeakPolarHBondContact CA-O 3.46Å; A270-I274 PolarHBondContact N-O 2.97Å; A270-T296 HydrophobicContact CB-CG2 3.88Å
271	D	97.9	Very high	96	Very high	33 Å²	33	26.6 Å²	26.6	18%	0.176	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-36.4	174.4	-69.9	-20	0	0	0	110.1	P26 H27 K32 K267 L269 G273	P26-D271 HydrophobicContact CG-CB 3.77Å; H27-D271 PolarHBondContact CE1-O 2.9Å; K32-D271 WeakPolarHBondContact CD-O 3.44Å; K32-D271 WeakPolarHBondContact CG-O 3.37Å; K267-D271 WeakPolarHBondContact CE-OD2 3.47Å; K267-D271 WeakPolarHBondContact CG-OD2 3.37Å; K267-D271 VanDerWaalsContact NZ-CG 3.29Å; K267-D271 IonicContact NZ-OD1 2.56Å; K267-D271 PolarHBondContact NZ-OD1 3.18Å; K267-D271 IonicContact NZ-OD2 2.66Å; K267-D271 PolarHBondContact NZ-OD2 3.37Å; K267-D271 WeakPolarHBondContact O-CB 3.38Å; K267-D271 PolarHBondContact O-N 3.04Å; L269-D271 PolarHBondContact O-N 3.48Å; D271-G273 PolarHBondContact O-N 3.4Å
272	R	97.9	Very high	96	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.038	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.8	172.5	-68.8	174.6	72	171	7.1	114.7	P26 H30 K33 L217 V220 H268 L269 A270 I274	P26-R272 HydrophobicContact CB-CG 3.51Å; P26-R272 HydrophobicContact CG-CG 3.83Å; H30-R272 PolarHBondContact CE1-NH2 3.18Å; H30-R272 VanDerWaalsContact CE1-NH2 3.32Å; H30-R272 PolarHBondContact ND1-NH2 3.08Å; H30-R272 VanDerWaalsContact ND1-NH2 3.13Å; K33-R272 WeakPolarHBondContact CB-O 3.36Å; K33-R272 PolarHBondContact N-O 2.77Å; L217-R272 PolarHBondContact O-NH1 3.4Å; V220-R272 PolarHBondContact O-NH1 3.09Å; V220-R272 PolarHBondContact O-NH2 3.13Å; H268-R272 WeakPolarHBondContact NE2-CD 3.4Å; H268-R272 PolarHBondContact NE2-NH1 3.43Å; H268-R272 VanDerWaalsContact NE2-NH1 3.16Å; H268-R272 VanDerWaalsContact O-CG 3.3Å; H268-R272 WeakPolarHBondContact O-CG 3.34Å; H268-R272 PolarHBondContact O-N 3.47Å; H268-R272 VanDerWaalsContact O-N 3.14Å; L269-R272 CarbonylContact O-C 3.55Å; L269-R272 WeakPolarHBondContact O-CA 3.3Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 2.82Å; A270-R272 PolarHBondContact O-N 3.34Å; R272-I274 HydrophobicContact CB-CD1 4.18Å; R272-I274 HydrophobicContact CB-CG1 4.47Å
273	G	97.2	Very high	95.8	Very high	12 Å²	12	26.1 Å²	26.1	12%	0.124	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	19.3	-179.3	0	0	0	0	0	113.9	L269 A270 D271	L269-G273 PolarHBondContact O-N 3.44Å; L269-G273 VanDerWaalsContact O-N 3.16Å; A270-G273 WeakPolarHBondContact O-CA 3.3Å; A270-G273 PolarHBondContact O-N 2.89Å; D271-G273 PolarHBondContact O-N 3.4Å
274	I	98.3	Very high	95.7	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.125	C	C	.	.			trans	-97.8	123.2	175.9	-59.8	163.5	0	0	0	107.4	F200 V222 S225 L269 A270 R272	F200-I274 HydrophobicContact CE2-CG2 3.89Å; V222-I274 HydrophobicContact CB-CD1 3.79Å; V222-I274 HydrophobicContact CG1-CD1 3.51Å; S225-I274 WeakPolarHBondContact O-CA 3.47Å; L269-I274 CarbonylContact C-O 3.6Å; L269-I274 HydrophobicContact CB-CB 4.11Å; L269-I274 HydrophobicContact CB-CG2 4.32Å; L269-I274 HydrophobicContact CD2-CD1 3.92Å; L269-I274 HydrophobicContact CD2-CG2 4.41Å; L269-I274 WeakPolarHBondContact O-CB 3.34Å; L269-I274 PolarHBondContact O-N 3.33Å; A270-I274 WeakPolarHBondContact CA-O 3.46Å; A270-I274 PolarHBondContact N-O 2.97Å; R272-I274 HydrophobicContact CB-CD1 4.18Å; R272-I274 HydrophobicContact CB-CG1 4.47Å
275	Q	98.3	Very high	95.6	Very high	2 Å²	2	25 Å²	25	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	146.2	178.7	-68.5	178.2	73.2	0	0	110.3	F37 Y38 S225 I226 L227 H277 T296	F37-Q275 PolarHBondContact O-NE2 3.31Å; F37-Q275 VanDerWaalsContact O-NE2 3.14Å; Y38-Q275 HydrophobicContact CD2-CG 3.88Å; Y38-Q275 HydrophobicContact CE2-CG 4.1Å; S225-Q275 PolarHBondContact O-N 3.08Å; I226-Q275 CarbonylContact C-O 3.52Å; I226-Q275 WeakPolarHBondContact CA-O 3.47Å; I226-Q275 HydrophobicContact CB-CB 4.49Å; I226-Q275 HydrophobicContact CG1-CB 4.14Å; I226-Q275 HydrophobicContact CG2-CB 4.17Å; L227-Q275 PolarHBondContact N-O 3.17Å; Q275-H277 PolarHBondContact OE1-NE2 3.24Å; Q275-H277 VanDerWaalsContact OE1-NE2 3.09Å; Q275-T296 VanDerWaalsContact CA-OG1 3.32Å; Q275-T296 WeakPolarHBondContact CA-OG1 3.39Å; Q275-T296 WeakPolarHBondContact CB-OG1 3.46Å
276	V	98.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	106.8	173.3	-178.8	0	0	0	0	107.2	L227 F266 L269 L278 T296 G297	L227-V276 HydrophobicContact CD2-CG1 4.43Å; L227-V276 WeakPolarHBondContact O-CA 3.43Å; F266-V276 HydrophobicContact CB-CG2 4.24Å; F266-V276 HydrophobicContact CD1-CG1 3.88Å; F266-V276 HydrophobicContact CD1-CG2 4.27Å; F266-V276 HydrophobicContact CD2-CG1 4.14Å; F266-V276 HydrophobicContact CE1-CG1 4.06Å; F266-V276 HydrophobicContact CE2-CG1 4.31Å; F266-V276 HydrophobicContact CG-CG1 3.94Å; F266-V276 HydrophobicContact CG-CG2 4.37Å; F266-V276 HydrophobicContact CZ-CG1 4.27Å; L269-V276 HydrophobicContact CB-CG2 4.06Å; L269-V276 HydrophobicContact CD1-CG2 3.91Å; V276-L278 HydrophobicContact CG1-CD2 4.28Å; V276-L278 HydrophobicContact CG1-CG 4.48Å; V276-T296 PolarHBondContact N-OG1 2.85Å; V276-T296 PolarHBondContact O-N 2.95Å; V276-T296 PolarHBondContact O-OG1 3.44Å; V276-G297 PolarHBondContact O-N 3.21Å; V276-G297 VanDerWaalsContact O-N 3.12Å
277	H	98.1	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109	178.2	-67.2	176.7	0	0	0	108.6	C39 I226 L227 Q228 F229 Q275 G297	C39-H277 PolarHBondContact O-NE2 2.9Å; I226-H277 HydrophobicContact CG2-CB 4.14Å; I226-H277 WeakPolarHBondContact CG2-ND1 3.46Å; L227-H277 PolarHBondContact O-N 3.07Å; Q228-H277 WeakPolarHBondContact CA-O 3.13Å; Q228-H277 HydrophobicContact CG-CB 3.95Å; F229-H277 PolarHBondContact N-O 2.91Å; F229-H277 VanDerWaalsContact N-O 3.14Å; Q275-H277 PolarHBondContact OE1-NE2 3.24Å; Q275-H277 VanDerWaalsContact OE1-NE2 3.09Å; H277-G297 WeakPolarHBondContact CA-O 3.18Å
278	L	96.8	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.6	171.5	-62.2	-175.9	0	0	0	108.4	F229 L231 M261 F266 V276 A290 L293 A295 G297 V298 M299	F229-L278 HydrophobicContact CB-CD2 4.42Å; F229-L278 WeakPolarHBondContact O-CA 3.34Å; L231-L278 HydrophobicContact CD1-CD1 4.01Å; M261-L278 HydrophobicContact CE-CD2 4.22Å; M261-L278 HydrophobicContact SD-CD1 4.04Å; M261-L278 HydrophobicContact SD-CD2 4.22Å; F266-L278 HydrophobicContact CE2-CD1 4.02Å; F266-L278 HydrophobicContact CE2-CD2 4.39Å; F266-L278 HydrophobicContact CZ-CD2 4.21Å; V276-L278 HydrophobicContact CG1-CD2 4.28Å; V276-L278 HydrophobicContact CG1-CG 4.48Å; L278-A290 HydrophobicContact CB-CB 4Å; L278-A290 HydrophobicContact CD1-CB 3.91Å; L278-L293 HydrophobicContact CD1-CD1 4.28Å; L278-A295 HydrophobicContact CB-CB 4.28Å; L278-A295 HydrophobicContact CD1-CB 3.9Å; L278-A295 HydrophobicContact CG-CB 3.83Å; L278-G297 PolarHBondContact N-O 3.42Å; L278-G297 VanDerWaalsContact N-O 3.14Å; L278-V298 WeakPolarHBondContact O-CA 3.34Å; L278-M299 PolarHBondContact O-N 2.89Å
279	F	90.5	Very high	95	Very high	32 Å²	32	24.5 Å²	24.5	14%	0.14	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	156.6	-173.5	67.6	-102.7	0	0	0	113.4	F119 Q228 F229 Y230 L231 M299	F119-F279 HydrophobicContact CZ-CE2 4.17Å; Q228-F279 HydrophobicContact CB-CD1 4.31Å; Q228-F279 HydrophobicContact CB-CE1 4.48Å; F229-F279 WeakPolarHBondContact O-CD1 3.22Å; F229-F279 PolarHBondContact O-N 3.27Å; Y230-F279 HydrophobicContact CD1-CZ 4.09Å; Y230-F279 HydrophobicContact CG-CZ 4.44Å; L231-F279 PolarHBondContact N-O 3.41Å; F279-M299 HydrophobicContact CB-CB 3.66Å; F279-M299 HydrophobicContact CB-CE 4.25Å; F279-M299 HydrophobicContact CB-CG 4.07Å; F279-M299 HydrophobicContact CB-SD 3.66Å; F279-M299 HydrophobicContact CG-SD 4.47Å
280	V	73.7	Confident	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.			trans	67	54.5	178.6	177.6	0	0	0	0	111.5	F119 I234 N282 M299	F119-V280 HydrophobicContact CB-CB 4.16Å; F119-V280 HydrophobicContact CB-CG1 2.99Å; F119-V280 HydrophobicContact CB-CG2 4Å; F119-V280 HydrophobicContact CD1-CB 4.17Å; F119-V280 HydrophobicContact CD1-CG1 3.59Å; F119-V280 HydrophobicContact CD1-CG2 3.84Å; F119-V280 HydrophobicContact CD2-CB 4.28Å; F119-V280 HydrophobicContact CD2-CG1 3.95Å; F119-V280 HydrophobicContact CD2-CG2 3.25Å; F119-V280 HydrophobicContact CE1-CG1 4.47Å; F119-V280 HydrophobicContact CE1-CG2 4.05Å; F119-V280 HydrophobicContact CE2-CG2 3.49Å; F119-V280 VanDerWaalsContact CE2-CG2 3.49Å; F119-V280 HydrophobicContact CG-CB 3.98Å; F119-V280 HydrophobicContact CG-CG1 3.27Å; F119-V280 HydrophobicContact CG-CG2 3.45Å; F119-V280 VanDerWaalsContact CG-CG2 3.45Å; F119-V280 HydrophobicContact CZ-CG2 3.89Å; I234-V280 HydrophobicContact CD1-CB 3.78Å; I234-V280 HydrophobicContact CD1-CG1 3.61Å; V280-N282 PolarHBondContact O-N 2.86Å; V280-M299 PolarHBondContact N-O 3.25Å
281	C	92.4	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.			trans	-97.2	86.2	168.4	-58.7	0	0	0	0	108.7	D286 I287 V298 M299 T300	C281-D286 HydrophobicContact CB-CB 3.79Å; C281-I287 HydrophobicContact CB-CB 4.45Å; C281-I287 HydrophobicContact CB-CG1 3.69Å; C281-V298 HydrophobicContact CB-CG1 3.47Å; C281-V298 VanDerWaalsContact CB-CG1 3.47Å; C281-M299 PolarHBondContact N-O 2.6Å; C281-M299 VanDerWaalsContact N-O 3.12Å; C281-T300 WeakPolarHBondContact O-CB 3.22Å; C281-T300 PolarHBondContact O-OG1 2.94Å
282	N	94.4	Very high	94.7	Very high	11 Å²	11	27 Å²	27	6%	0.059	13%	0.133	C	C	.	.			trans	-93.5	3.5	-175.9	-68.9	-16.5	0	0	0	113.4	V280 T300 D301 Y302 L305	V280-N282 PolarHBondContact O-N 2.86Å; N282-T300 PolarHBondContact OD1-OG1 2.89Å; N282-D301 PolarHBondContact ND2-OD2 3.01Å; N282-D301 WeakPolarHBondContact OD1-CB 3.24Å; N282-D301 PolarHBondContact OD1-N 2.93Å; N282-D301 PolarHBondContact OD1-OD2 2.8Å; N282-Y302 HydrophobicContact CB-CD2 3.72Å; N282-Y302 HydrophobicContact CB-CE2 3.73Å; N282-L305 VanDerWaalsContact O-CD2 3.3Å; N282-L305 WeakPolarHBondContact O-CD2 3.45Å
283	K	93.8	Very high	94.6	Very high	81 Å²	81	27.4 Å²	27.4	35%	0.352	14%	0.135	S	C	.	.	S	Bend	trans	-134.2	151.4	175.2	-58.3	-178.5	176.7	-176.8	0	110.7	E285 D286 I287	K283-E285 HydrophobicContact CB-CG 4.04Å; K283-E285 VanDerWaalsContact CD-OE1 3.3Å; K283-E285 WeakPolarHBondContact CD-OE1 3.35Å; K283-E285 PolarHBondContact O-N 2.6Å; K283-D286 WeakPolarHBondContact CB-OD2 3.33Å; K283-D286 WeakPolarHBondContact O-CB 3.31Å; K283-D286 PolarHBondContact O-N 3.27Å; K283-I287 WeakPolarHBondContact O-CG1 3.35Å; K283-I287 PolarHBondContact O-N 3.1Å
284	N	94.9	Very high	94.6	Very high	85 Å²	85	28.5 Å²	28.5	46%	0.455	15%	0.147	S	C	.	.	H	α-helix	trans	-53.1	-38.4	178	-81	-33.4	0	0	0	113.3	D286 I287 K288 L305 Y309	N284-D286 VanDerWaalsContact C-N 3.34Å; N284-D286 PolarHBondContact O-N 2.86Å; N284-I287 PolarHBondContact O-N 3.48Å; N284-K288 VanDerWaalsContact O-CB 3.29Å; N284-K288 WeakPolarHBondContact O-CB 3.43Å; N284-K288 PolarHBondContact O-N 2.94Å; N284-L305 WeakPolarHBondContact OD1-CD1 3.33Å; N284-Y309 HydrophobicContact CB-CD2 4.37Å; N284-Y309 WeakPolarHBondContact OD1-CD2 3.31Å
285	E	94.4	Very high	94.6	Very high	109 Å²	109	28.8 Å²	28.8	51%	0.509	15%	0.15	S	C	.	.	H	α-helix	trans	-65.8	-33.4	177.9	66.3	-165.3	155.9	0	0	113.2	R237 K283 A289	R237-E285 IonicContact CZ-OE1 3.87Å; R237-E285 VanDerWaalsContact NH1-CD 3.33Å; R237-E285 IonicContact NH1-OE1 3.6Å; R237-E285 PolarHBondContact NH1-OE1 2.62Å; K283-E285 HydrophobicContact CB-CG 4.04Å; K283-E285 VanDerWaalsContact CD-OE1 3.3Å; K283-E285 WeakPolarHBondContact CD-OE1 3.35Å; K283-E285 PolarHBondContact O-N 2.6Å; E285-A289 VanDerWaalsContact O-CB 3.22Å; E285-A289 WeakPolarHBondContact O-CB 3.24Å; E285-A289 PolarHBondContact O-N 2.87Å
286	D	94.7	Very high	94.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-75	-42.5	176.7	-60.1	-50	0	0	0	110.9	L231 R237 C281 K283 N284 K288 A289 A290	L231-D286 HydrophobicContact CD2-CB 4.05Å; R237-D286 IonicContact CZ-OD1 3.62Å; R237-D286 IonicContact CZ-OD2 2.62Å; R237-D286 IonicContact NH2-OD1 3.61Å; R237-D286 PolarHBondContact NH2-OD1 2.95Å; R237-D286 IonicContact NH2-OD2 2.73Å; R237-D286 PolarHBondContact NH2-OD2 2.66Å; C281-D286 HydrophobicContact CB-CB 3.79Å; K283-D286 WeakPolarHBondContact CB-OD2 3.33Å; K283-D286 WeakPolarHBondContact O-CB 3.31Å; K283-D286 PolarHBondContact O-N 3.27Å; N284-D286 VanDerWaalsContact C-N 3.34Å; N284-D286 PolarHBondContact O-N 2.86Å; D286-K288 VanDerWaalsContact C-N 3.32Å; D286-K288 PolarHBondContact O-N 3.45Å; D286-A289 PolarHBondContact O-N 3.46Å; D286-A290 WeakPolarHBondContact O-CB 3.39Å; D286-A290 PolarHBondContact O-N 3.22Å
287	I	96.3	Very high	94.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-48.2	175.4	-61.1	169	0	0	0	109.2	C281 K283 N284 A290 F291 V298 L305 L306 Y309	C281-I287 HydrophobicContact CB-CB 4.45Å; C281-I287 HydrophobicContact CB-CG1 3.69Å; K283-I287 WeakPolarHBondContact O-CG1 3.35Å; K283-I287 PolarHBondContact O-N 3.1Å; N284-I287 PolarHBondContact O-N 3.48Å; I287-A290 PolarHBondContact O-N 3.49Å; I287-F291 HydrophobicContact CG2-CD2 3.77Å; I287-F291 HydrophobicContact CG2-CE2 3.54Å; I287-F291 VanDerWaalsContact O-CD2 3.25Å; I287-F291 WeakPolarHBondContact O-CD2 3.34Å; I287-F291 PolarHBondContact O-N 2.91Å; I287-F291 VanDerWaalsContact O-N 3.09Å; I287-V298 HydrophobicContact CG1-CG1 4.24Å; I287-V298 HydrophobicContact CG2-CG1 4.48Å; I287-L305 HydrophobicContact CD1-CD2 3.99Å; I287-L305 HydrophobicContact CD1-CG 3.93Å; I287-L306 HydrophobicContact CD1-CB 4.37Å; I287-L306 HydrophobicContact CD1-CD1 4.17Å; I287-L306 HydrophobicContact CG1-CD1 4.34Å; I287-L306 HydrophobicContact CG2-CD1 3.63Å; I287-Y309 HydrophobicContact CB-CD1 4.38Å; I287-Y309 HydrophobicContact CB-CD2 4.42Å; I287-Y309 HydrophobicContact CB-CG 4.32Å; I287-Y309 HydrophobicContact CG2-CD1 3.32Å; I287-Y309 HydrophobicContact CG2-CD2 4.17Å; I287-Y309 HydrophobicContact CG2-CE1 3.64Å; I287-Y309 HydrophobicContact CG2-CE2 4.42Å; I287-Y309 HydrophobicContact CG2-CG 3.64Å
288	K	95.9	Very high	94.5	Very high	95 Å²	95	29.2 Å²	29.2	41%	0.413	15%	0.152	S	C	.	.	H	α-helix	trans	-57.8	-50.2	174.7	-174.4	-177.8	-170.3	-52.4	0	111.6	N284 D286 A290 F291 D292 Y309	N284-K288 VanDerWaalsContact O-CB 3.29Å; N284-K288 WeakPolarHBondContact O-CB 3.43Å; N284-K288 PolarHBondContact O-N 2.94Å; D286-K288 VanDerWaalsContact C-N 3.32Å; D286-K288 PolarHBondContact O-N 3.45Å; K288-A290 VanDerWaalsContact C-N 3.31Å; K288-A290 PolarHBondContact O-N 2.81Å; K288-F291 PolarHBondContact O-N 3.4Å; K288-D292 IonicContact NZ-OD1 2.58Å; K288-D292 PolarHBondContact NZ-OD1 2.76Å; K288-D292 IonicContact NZ-OD2 2.71Å; K288-D292 PolarHBondContact NZ-OD2 3.25Å; K288-D292 WeakPolarHBondContact O-CB 3.4Å; K288-D292 VanDerWaalsContact O-CG 3.25Å; K288-D292 PolarHBondContact O-N 3.24Å; K288-Y309 VanDerWaalsContact CA-OH 3.27Å; K288-Y309 WeakPolarHBondContact CA-OH 3.24Å; K288-Y309 HydrophobicContact CB-CE2 4.1Å; K288-Y309 VanDerWaalsContact CB-OH 3.27Å; K288-Y309 WeakPolarHBondContact CB-OH 3.4Å; K288-Y309 WeakPolarHBondContact CG-OH 3.36Å
289	A	95.1	Very high	94.5	Very high	9 Å²	9	29.4 Å²	29.4	7%	0.074	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-42.6	179.8	0	0	0	0	0	112.5	L231 E285 D286 D292 L293	L231-A289 HydrophobicContact CD2-CB 4.23Å; E285-A289 VanDerWaalsContact O-CB 3.22Å; E285-A289 WeakPolarHBondContact O-CB 3.24Å; E285-A289 PolarHBondContact O-N 2.87Å; D286-A289 PolarHBondContact O-N 3.46Å; A289-D292 PolarHBondContact O-N 3.38Å; A289-L293 WeakPolarHBondContact O-CD1 3.31Å; A289-L293 VanDerWaalsContact O-CG 3.26Å; A289-L293 WeakPolarHBondContact O-CG 3.46Å; A289-L293 PolarHBondContact O-N 3.05Å; A289-L293 VanDerWaalsContact O-N 3.08Å
290	A	96.7	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-48.2	178.2	0	0	0	0	0	111.7	L278 D286 I287 K288 L293 G294 A295 V298	L278-A290 HydrophobicContact CB-CB 4Å; L278-A290 HydrophobicContact CD1-CB 3.91Å; D286-A290 WeakPolarHBondContact O-CB 3.39Å; D286-A290 PolarHBondContact O-N 3.22Å; I287-A290 PolarHBondContact O-N 3.49Å; K288-A290 VanDerWaalsContact C-N 3.31Å; K288-A290 PolarHBondContact O-N 2.81Å; A290-L293 WeakPolarHBondContact O-CB 3.32Å; A290-L293 PolarHBondContact O-N 3.41Å; A290-G294 PolarHBondContact O-N 3.06Å; A290-A295 HydrophobicContact CB-CB 4.28Å; A290-A295 WeakPolarHBondContact O-CB 3.26Å; A290-A295 PolarHBondContact O-N 3.49Å; A290-A295 VanDerWaalsContact O-N 3.09Å; A290-V298 HydrophobicContact CB-CG2 3.71Å
291	F	96.5	Very high	96	Very high	38 Å²	38	28 Å²	28	17%	0.167	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-37.7	177.1	-72.4	-55.1	0	0	0	112.9	I287 K288 L293 G294 V298 L306 Y309 V310	I287-F291 HydrophobicContact CG2-CD2 3.77Å; I287-F291 HydrophobicContact CG2-CE2 3.54Å; I287-F291 VanDerWaalsContact O-CD2 3.25Å; I287-F291 WeakPolarHBondContact O-CD2 3.34Å; I287-F291 PolarHBondContact O-N 2.91Å; I287-F291 VanDerWaalsContact O-N 3.09Å; K288-F291 PolarHBondContact O-N 3.4Å; F291-L293 PolarHBondContact O-N 3.26Å; F291-G294 PolarHBondContact O-N 3.33Å; F291-V298 HydrophobicContact CD1-CG2 4.23Å; F291-V298 HydrophobicContact CD2-CG2 4.08Å; F291-V298 HydrophobicContact CE1-CG2 3.83Å; F291-V298 HydrophobicContact CE2-CB 4.31Å; F291-V298 HydrophobicContact CE2-CG2 3.68Å; F291-V298 HydrophobicContact CG-CG2 4.35Å; F291-V298 HydrophobicContact CZ-CB 4.04Å; F291-V298 HydrophobicContact CZ-CG2 3.54Å; F291-L306 HydrophobicContact CE2-CD1 4.24Å; F291-Y309 HydrophobicContact CD2-CD1 4.36Å; F291-Y309 AromaticContact CD2-CE1 3.81Å; F291-Y309 HydrophobicContact CD2-CE1 3.81Å; F291-Y309 HydrophobicContact CE2-CD1 4.23Å; F291-Y309 HydrophobicContact CE2-CE1 4.13Å; F291-V310 HydrophobicContact CE2-CG2 4.35Å; F291-V310 HydrophobicContact CZ-CG2 4.41Å
292	D	95.6	Very high	96.2	Very high	78 Å²	78	30 Å²	30	42%	0.417	16%	0.155	S	C	.	.	H	α-helix	trans	-62.8	-29	175.6	-75.7	-15.8	0	0	0	112.6	K263 K288 A289 G294	K263-D292 WeakPolarHBondContact CE-O 3.48Å; K263-D292 PolarHBondContact NZ-O 3.27Å; K288-D292 IonicContact NZ-OD1 2.58Å; K288-D292 PolarHBondContact NZ-OD1 2.76Å; K288-D292 IonicContact NZ-OD2 2.71Å; K288-D292 PolarHBondContact NZ-OD2 3.25Å; K288-D292 WeakPolarHBondContact O-CB 3.4Å; K288-D292 VanDerWaalsContact O-CG 3.25Å; K288-D292 PolarHBondContact O-N 3.24Å; A289-D292 PolarHBondContact O-N 3.38Å; D292-G294 VanDerWaalsContact C-N 3.26Å
293	L	95.8	Very high	96.3	Very high	18 Å²	18	29.5 Å²	29.5	9%	0.094	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.7	173.5	-74.2	167	0	0	0	113	L231 M261 K263 F266 L278 A289 A290 F291	L231-L293 HydrophobicContact CD1-CD1 3.84Å; M261-L293 HydrophobicContact CB-CD1 3.84Å; M261-L293 HydrophobicContact CB-CD2 3.95Å; M261-L293 HydrophobicContact CG-CD1 4.02Å; M261-L293 HydrophobicContact SD-CD1 3.87Å; K263-L293 WeakPolarHBondContact CA-O 3.43Å; K263-L293 HydrophobicContact CG-CD2 4.42Å; F266-L293 HydrophobicContact CD2-CB 4.23Å; F266-L293 WeakPolarHBondContact CD2-O 3.2Å; F266-L293 HydrophobicContact CE2-CB 4.09Å; L278-L293 HydrophobicContact CD1-CD1 4.28Å; A289-L293 WeakPolarHBondContact O-CD1 3.31Å; A289-L293 VanDerWaalsContact O-CG 3.26Å; A289-L293 WeakPolarHBondContact O-CG 3.46Å; A289-L293 PolarHBondContact O-N 3.05Å; A289-L293 VanDerWaalsContact O-N 3.08Å; A290-L293 WeakPolarHBondContact O-CB 3.32Å; A290-L293 PolarHBondContact O-N 3.41Å; F291-L293 PolarHBondContact O-N 3.26Å
294	G	96.2	Very high	96.5	Very high	35 Å²	35	28 Å²	28	36%	0.361	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	22.6	-177.3	0	0	0	0	0	114	A290 F291 D292 T296	A290-G294 PolarHBondContact O-N 3.06Å; F291-G294 PolarHBondContact O-N 3.33Å; D292-G294 VanDerWaalsContact C-N 3.26Å; G294-T296 PolarHBondContact O-N 3.16Å
295	A	97.4	Very high	96.6	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	14%	0.14	C	C	.	.			trans	-56.3	136.9	167.6	0	0	0	0	0	110	L278 A290	L278-A295 HydrophobicContact CB-CB 4.28Å; L278-A295 HydrophobicContact CD1-CB 3.9Å; L278-A295 HydrophobicContact CG-CB 3.83Å; A290-A295 HydrophobicContact CB-CB 4.28Å; A290-A295 WeakPolarHBondContact O-CB 3.26Å; A290-A295 PolarHBondContact O-N 3.49Å; A290-A295 VanDerWaalsContact O-N 3.09Å
296	T	97.5	Very high	96.7	Very high	10 Å²	10	21 Å²	21	6%	0.061	12%	0.116	C	C	.	.	S	Bend	trans	-83.3	-20.6	175.7	66.4	0	0	0	0	111.7	Y38 T40 A270 Q275 V276 G294	Y38-T296 HydrophobicContact CE2-CG2 4.39Å; Y38-T296 WeakPolarHBondContact OH-CB 3.17Å; T40-T296 WeakPolarHBondContact CG2-O 3.33Å; A270-T296 HydrophobicContact CB-CG2 3.88Å; Q275-T296 VanDerWaalsContact CA-OG1 3.32Å; Q275-T296 WeakPolarHBondContact CA-OG1 3.39Å; Q275-T296 WeakPolarHBondContact CB-OG1 3.46Å; V276-T296 PolarHBondContact N-OG1 2.85Å; V276-T296 PolarHBondContact O-N 2.95Å; V276-T296 PolarHBondContact O-OG1 3.44Å; G294-T296 PolarHBondContact O-N 3.16Å
297	G	97.6	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	159	172.8	0	0	0	0	0	112	T40 V276 H277 L278	T40-G297 WeakPolarHBondContact O-CA 3.25Å; V276-G297 PolarHBondContact O-N 3.21Å; V276-G297 VanDerWaalsContact O-N 3.12Å; H277-G297 WeakPolarHBondContact CA-O 3.18Å; L278-G297 PolarHBondContact N-O 3.42Å; L278-G297 VanDerWaalsContact N-O 3.14Å
298	V	97.9	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134	177.6	171.1	0	0	0	0	108.6	T40 I42 L278 C281 I287 A290 F291 L306	T40-V298 PolarHBondContact O-N 2.79Å; I42-V298 VanDerWaalsContact CD1-O 3.23Å; I42-V298 WeakPolarHBondContact CD1-O 3.44Å; I42-V298 PolarHBondContact N-O 3.09Å; L278-V298 WeakPolarHBondContact O-CA 3.34Å; C281-V298 HydrophobicContact CB-CG1 3.47Å; C281-V298 VanDerWaalsContact CB-CG1 3.47Å; I287-V298 HydrophobicContact CG1-CG1 4.24Å; I287-V298 HydrophobicContact CG2-CG1 4.48Å; A290-V298 HydrophobicContact CB-CG2 3.71Å; F291-V298 HydrophobicContact CD1-CG2 4.23Å; F291-V298 HydrophobicContact CD2-CG2 4.08Å; F291-V298 HydrophobicContact CE1-CG2 3.83Å; F291-V298 HydrophobicContact CE2-CB 4.31Å; F291-V298 HydrophobicContact CE2-CG2 3.68Å; F291-V298 HydrophobicContact CG-CG2 4.35Å; F291-V298 HydrophobicContact CZ-CB 4.04Å; F291-V298 HydrophobicContact CZ-CG2 3.54Å; V298-L306 HydrophobicContact CB-CD1 4.01Å; V298-L306 HydrophobicContact CB-CD2 4.22Å; V298-L306 HydrophobicContact CG1-CD1 4Å; V298-L306 HydrophobicContact CG1-CD2 4.19Å; V298-L306 VanDerWaalsContact O-CD2 3.26Å; V298-L306 WeakPolarHBondContact O-CD2 3.42Å
299	M	97.9	Very high	96.8	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.025	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.9	174.1	-178.8	-166.5	-55.2	0	0	109.9	I42 H44 E71 L278 F279 V280 C281	I42-M299 HydrophobicContact CB-CB 3.86Å; I42-M299 HydrophobicContact CB-CG 4.04Å; I42-M299 HydrophobicContact CG2-CB 4.14Å; I42-M299 HydrophobicContact CG2-CE 3.93Å; I42-M299 HydrophobicContact CG2-CG 3.83Å; I42-M299 VanDerWaalsContact O-CA 3.3Å; I42-M299 WeakPolarHBondContact O-CA 3.18Å; H44-M299 HydrophobicContact CB-CG 3.79Å; H44-M299 HydrophobicContact CB-SD 3.95Å; E71-M299 HydrophobicContact CB-CE 3.87Å; E71-M299 HydrophobicContact CB-SD 3.96Å; E71-M299 HydrophobicContact CG-CE 3.74Å; E71-M299 HydrophobicContact CG-SD 3.85Å; L278-M299 PolarHBondContact O-N 2.89Å; F279-M299 HydrophobicContact CB-CB 3.66Å; F279-M299 HydrophobicContact CB-CE 4.25Å; F279-M299 HydrophobicContact CB-CG 4.07Å; F279-M299 HydrophobicContact CB-SD 3.66Å; F279-M299 HydrophobicContact CG-SD 4.47Å; V280-M299 PolarHBondContact N-O 3.25Å; C281-M299 PolarHBondContact N-O 2.6Å; C281-M299 VanDerWaalsContact N-O 3.12Å
300	T	97.2	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.3	-172.7	-170.4	0	0	0	0	111.9	I42 H44 C281 N282 Y302 L306	I42-T300 PolarHBondContact O-N 2.73Å; H44-T300 PolarHBondContact N-O 2.7Å; C281-T300 WeakPolarHBondContact O-CB 3.22Å; C281-T300 PolarHBondContact O-OG1 2.94Å; N282-T300 PolarHBondContact OD1-OG1 2.89Å; T300-Y302 VanDerWaalsContact C-N 3.26Å; T300-Y302 WeakPolarHBondContact CG2-O 3.46Å; T300-Y302 PolarHBondContact OG1-N 3.32Å; T300-Y302 VanDerWaalsContact OG1-N 3.12Å; T300-L306 HydrophobicContact CG2-CB 3.68Å; T300-L306 HydrophobicContact CG2-CD2 3.78Å; T300-L306 HydrophobicContact CG2-CG 4.38Å
301	D	96.9	Very high	96.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-78.7	-11.9	166.8	-64.8	-54.2	0	0	0	112.2	H44 G47 S48 G49 V117 N282 P303	H44-D301 IonicContact CE1-OD1 3.82Å; H44-D301 IonicContact CG-OD1 3.81Å; H44-D301 IonicContact ND1-OD1 3.71Å; H44-D301 PolarHBondContact ND1-OD1 3.4Å; H44-D301 IonicContact ND1-OD2 3.74Å; G47-D301 CarbonylContact C-O 3.52Å; G47-D301 VanDerWaalsContact CA-O 3.26Å; G47-D301 WeakPolarHBondContact CA-O 3.34Å; S48-D301 PolarHBondContact N-O 3.35Å; S48-D301 VanDerWaalsContact OG-CG 3.22Å; S48-D301 PolarHBondContact OG-OD1 3.43Å; G49-D301 WeakPolarHBondContact CA-O 3.18Å; G49-D301 PolarHBondContact N-O 2.93Å; V117-D301 HydrophobicContact CG1-CB 3.98Å; N282-D301 PolarHBondContact ND2-OD2 3.01Å; N282-D301 WeakPolarHBondContact OD1-CB 3.24Å; N282-D301 PolarHBondContact OD1-N 2.93Å; N282-D301 PolarHBondContact OD1-OD2 2.8Å; D301-P303 WeakPolarHBondContact O-CD 3.33Å
302	Y	97.1	Very high	96.4	Very high	42 Å²	42	32.2 Å²	32.2	17%	0.165	17%	0.174	C	C	.	.			trans	-122	77.1	-173.7	-59.2	-91	0	0	0	111.3	E50 N120 N282 T300 T304 L305 L306	E50-Y302 HydrophobicContact CG-CD1 4.14Å; E50-Y302 VanDerWaalsContact OE1-CA 3.31Å; E50-Y302 WeakPolarHBondContact OE1-CA 3.36Å; N120-Y302 PolarHBondContact ND2-OH 3.26Å; N282-Y302 HydrophobicContact CB-CD2 3.72Å; N282-Y302 HydrophobicContact CB-CE2 3.73Å; T300-Y302 VanDerWaalsContact C-N 3.26Å; T300-Y302 WeakPolarHBondContact CG2-O 3.46Å; T300-Y302 PolarHBondContact OG1-N 3.32Å; T300-Y302 VanDerWaalsContact OG1-N 3.12Å; Y302-T304 VanDerWaalsContact C-N 3.26Å; Y302-T304 PolarHBondContact O-N 3.3Å; Y302-L305 WeakPolarHBondContact O-CB 3.33Å; Y302-L305 PolarHBondContact O-N 3.4Å; Y302-L305 VanDerWaalsContact O-N 3.09Å; Y302-L306 PolarHBondContact O-N 3.47Å
303	P	97.1	Very high	95.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-35.9	-176.7	18.9	-30.6	0	0	0	114	S43 E50 A62 N65 S67 D301 L305 L306 S307	S43-P303 WeakPolarHBondContact OG-CB 3.45Å; E50-P303 VanDerWaalsContact CD-CD 3.5Å; E50-P303 WeakPolarHBondContact OE1-CD 3.23Å; A62-P303 HydrophobicContact CB-CB 4.43Å; A62-P303 HydrophobicContact CB-CG 4.19Å; N65-P303 HydrophobicContact CB-CB 4.35Å; S67-P303 WeakPolarHBondContact OG-CB 3.32Å; D301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-L305 VanDerWaalsContact C-N 3.32Å; P303-L305 PolarHBondContact O-N 3.18Å; P303-L306 PolarHBondContact O-N 3.43Å; P303-S307 WeakPolarHBondContact O-CB 3.38Å; P303-S307 PolarHBondContact O-N 2.86Å
304	T	97.4	Very high	94.7	Very high	51 Å²	51	35.9 Å²	35.9	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-40.2	177.6	-56.7	0	0	0	0	111.4	E50 N65 Y302 T308	E50-T304 VanDerWaalsContact CD-OG1 3.26Å; E50-T304 WeakPolarHBondContact OE1-CA 3.45Å; E50-T304 WeakPolarHBondContact OE1-CB 3.47Å; E50-T304 PolarHBondContact OE1-N 3.2Å; E50-T304 PolarHBondContact OE1-OG1 2.68Å; E50-T304 PolarHBondContact OE2-OG1 2.94Å; N65-T304 VanDerWaalsContact CG-OG1 3.24Å; N65-T304 PolarHBondContact OD1-OG1 2.62Å; Y302-T304 VanDerWaalsContact C-N 3.26Å; Y302-T304 PolarHBondContact O-N 3.3Å; T304-T308 WeakPolarHBondContact O-CB 3.46Å; T304-T308 PolarHBondContact O-N 2.89Å; T304-T308 PolarHBondContact O-OG1 3.15Å
305	L	96.6	Very high	92.6	Very high	45 Å²	45	39.4 Å²	39.4	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-49.4	176.1	176.9	68.8	0	0	0	110.7	N282 N284 I287 Y302 P303 S307 T308 Y309	N282-L305 VanDerWaalsContact O-CD2 3.3Å; N282-L305 WeakPolarHBondContact O-CD2 3.45Å; N284-L305 WeakPolarHBondContact OD1-CD1 3.33Å; I287-L305 HydrophobicContact CD1-CD2 3.99Å; I287-L305 HydrophobicContact CD1-CG 3.93Å; Y302-L305 WeakPolarHBondContact O-CB 3.33Å; Y302-L305 PolarHBondContact O-N 3.4Å; Y302-L305 VanDerWaalsContact O-N 3.09Å; P303-L305 VanDerWaalsContact C-N 3.32Å; P303-L305 PolarHBondContact O-N 3.18Å; L305-S307 PolarHBondContact O-N 3.22Å; L305-T308 PolarHBondContact O-N 3.35Å; L305-Y309 WeakPolarHBondContact O-CB 3.22Å; L305-Y309 PolarHBondContact O-N 2.94Å
306	L	97.1	Very high	89.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-42.1	-178.6	177.8	58.7	0	0	0	112.1	Q41 I287 F291 V298 T300 Y302 P303 Y309 V310	Q41-L306 HydrophobicContact CB-CD2 4Å; Q41-L306 HydrophobicContact CB-CG 4.39Å; Q41-L306 HydrophobicContact CG-CD2 4.2Å; Q41-L306 HydrophobicContact CG-CG 4.11Å; I287-L306 HydrophobicContact CD1-CB 4.37Å; I287-L306 HydrophobicContact CD1-CD1 4.17Å; I287-L306 HydrophobicContact CG1-CD1 4.34Å; I287-L306 HydrophobicContact CG2-CD1 3.63Å; F291-L306 HydrophobicContact CE2-CD1 4.24Å; V298-L306 HydrophobicContact CB-CD1 4.01Å; V298-L306 HydrophobicContact CB-CD2 4.22Å; V298-L306 HydrophobicContact CG1-CD1 4Å; V298-L306 HydrophobicContact CG1-CD2 4.19Å; V298-L306 VanDerWaalsContact O-CD2 3.26Å; V298-L306 WeakPolarHBondContact O-CD2 3.42Å; T300-L306 HydrophobicContact CG2-CB 3.68Å; T300-L306 HydrophobicContact CG2-CD2 3.78Å; T300-L306 HydrophobicContact CG2-CG 4.38Å; Y302-L306 PolarHBondContact O-N 3.47Å; P303-L306 PolarHBondContact O-N 3.43Å; L306-Y309 WeakPolarHBondContact O-CB 3.41Å; L306-Y309 PolarHBondContact O-N 3.22Å; L306-V310 HydrophobicContact CD1-CG2 4.04Å; L306-V310 HydrophobicContact CG-CG2 4.49Å; L306-V310 WeakPolarHBondContact O-CG2 3.33Å; L306-V310 PolarHBondContact O-N 3.38Å
307	S	96.6	Very high	87.3	Confident	17 Å²	17	49.2 Å²	49.2	12%	0.119	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-43.3	176.5	-174.6	0	0	0	0	113	N65 P303 L305 Y309 V310 R311	N65-S307 WeakPolarHBondContact O-CB 3.37Å; N65-S307 PolarHBondContact O-OG 2.99Å; P303-S307 WeakPolarHBondContact O-CB 3.38Å; P303-S307 PolarHBondContact O-N 2.86Å; L305-S307 PolarHBondContact O-N 3.22Å; S307-Y309 VanDerWaalsContact C-N 3.34Å; S307-Y309 PolarHBondContact O-N 2.85Å; S307-V310 PolarHBondContact O-N 2.99Å; S307-R311 WeakPolarHBondContact O-CB 3.32Å; S307-R311 VanDerWaalsContact O-CG 3.27Å; S307-R311 WeakPolarHBondContact O-CG 3.34Å; S307-R311 PolarHBondContact O-N 3.24Å
308	T	96.8	Very high	84.2	Confident	70 Å²	70	54.9 Å²	54.9	43%	0.429	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-44.1	173.6	-58	0	0	0	0	111.2	T304 L305 R311 T312	T304-T308 WeakPolarHBondContact O-CB 3.46Å; T304-T308 PolarHBondContact O-N 2.89Å; T304-T308 PolarHBondContact O-OG1 3.15Å; L305-T308 PolarHBondContact O-N 3.35Å; T308-R311 PolarHBondContact O-N 3.42Å; T308-T312 HydrophobicContact CG2-CG2 4.48Å; T308-T312 WeakPolarHBondContact O-CB 3.36Å; T308-T312 VanDerWaalsContact O-CG2 3.31Å; T308-T312 WeakPolarHBondContact O-CG2 3.41Å; T308-T312 PolarHBondContact O-N 2.94Å; T308-T312 PolarHBondContact O-OG1 2.74Å
309	Y	96.1	Very high	81.1	Confident	18 Å²	18	62.1 Å²	62.1	7%	0.071	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-50.7	177.5	-177.9	-84	0	0	0	111.6	N284 I287 K288 F291 L305 L306 S307 R311 T312 H313	N284-Y309 HydrophobicContact CB-CD2 4.37Å; N284-Y309 WeakPolarHBondContact OD1-CD2 3.31Å; I287-Y309 HydrophobicContact CB-CD1 4.38Å; I287-Y309 HydrophobicContact CB-CD2 4.42Å; I287-Y309 HydrophobicContact CB-CG 4.32Å; I287-Y309 HydrophobicContact CG2-CD1 3.32Å; I287-Y309 HydrophobicContact CG2-CD2 4.17Å; I287-Y309 HydrophobicContact CG2-CE1 3.64Å; I287-Y309 HydrophobicContact CG2-CE2 4.42Å; I287-Y309 HydrophobicContact CG2-CG 3.64Å; K288-Y309 VanDerWaalsContact CA-OH 3.27Å; K288-Y309 WeakPolarHBondContact CA-OH 3.24Å; K288-Y309 HydrophobicContact CB-CE2 4.1Å; K288-Y309 VanDerWaalsContact CB-OH 3.27Å; K288-Y309 WeakPolarHBondContact CB-OH 3.4Å; K288-Y309 WeakPolarHBondContact CG-OH 3.36Å; F291-Y309 HydrophobicContact CD2-CD1 4.36Å; F291-Y309 AromaticContact CD2-CE1 3.81Å; F291-Y309 HydrophobicContact CD2-CE1 3.81Å; F291-Y309 HydrophobicContact CE2-CD1 4.23Å; F291-Y309 HydrophobicContact CE2-CE1 4.13Å; L305-Y309 WeakPolarHBondContact O-CB 3.22Å; L305-Y309 PolarHBondContact O-N 2.94Å; L306-Y309 WeakPolarHBondContact O-CB 3.41Å; L306-Y309 PolarHBondContact O-N 3.22Å; S307-Y309 VanDerWaalsContact C-N 3.34Å; S307-Y309 PolarHBondContact O-N 2.85Å; Y309-R311 PolarHBondContact O-N 2.75Å; Y309-T312 PolarHBondContact O-N 3.41Å; Y309-T312 PolarHBondContact O-OG1 2.64Å; Y309-H313 AromaticContact CD2-CE1 3.78Å; Y309-H313 AromaticContact CD2-ND1 3.88Å; Y309-H313 HydrophobicContact CE1-CB 4.23Å; Y309-H313 AromaticContact CE2-CE1 3.56Å; Y309-H313 AromaticContact CE2-ND1 3.82Å; Y309-H313 AromaticContact CE2-NE2 3.67Å; Y309-H313 AromaticContact CZ-CD2 3.81Å; Y309-H313 AromaticContact CZ-CG 3.86Å; Y309-H313 AromaticContact CZ-NE2 3.94Å; Y309-H313 WeakPolarHBondContact O-CB 3.15Å; Y309-H313 PolarHBondContact O-N 3.31Å; Y309-H313 PolarHBondContact O-ND1 3.24Å
310	V	94.5	Very high	78.1	Confident	8 Å²	8	70.8 Å²	70.8	5%	0.048	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-46.5	-179.6	171.8	0	0	0	0	110.8	Q41 F291 L306 S307 T312 H313 E314	Q41-V310 HydrophobicContact CG-CG2 4.03Å; F291-V310 HydrophobicContact CE2-CG2 4.35Å; F291-V310 HydrophobicContact CZ-CG2 4.41Å; L306-V310 HydrophobicContact CD1-CG2 4.04Å; L306-V310 HydrophobicContact CG-CG2 4.49Å; L306-V310 WeakPolarHBondContact O-CG2 3.33Å; L306-V310 PolarHBondContact O-N 3.38Å; S307-V310 PolarHBondContact O-N 2.99Å; V310-T312 PolarHBondContact O-N 2.91Å; V310-H313 PolarHBondContact O-N 3.44Å; V310-E314 VanDerWaalsContact CG1-CD 3.4Å; V310-E314 HydrophobicContact CG1-CG 3.79Å; V310-E314 VanDerWaalsContact O-CB 3.23Å; V310-E314 WeakPolarHBondContact O-CB 3.18Å; V310-E314 WeakPolarHBondContact O-CG 3.43Å; V310-E314 PolarHBondContact O-N 2.87Å
311	R	93.1	Very high	75.3	Confident	178 Å²	178	78.8 Å²	78.8	67%	0.672	41%	0.411	S	S	*	.	H	α-helix	trans	-60	-43.6	178.3	-73	173.1	63.2	-160.4	-1.3	112.6	S307 T308 Y309 S315	S307-R311 WeakPolarHBondContact O-CB 3.32Å; S307-R311 VanDerWaalsContact O-CG 3.27Å; S307-R311 WeakPolarHBondContact O-CG 3.34Å; S307-R311 PolarHBondContact O-N 3.24Å; T308-R311 PolarHBondContact O-N 3.42Å; Y309-R311 PolarHBondContact O-N 2.75Å; R311-S315 PolarHBondContact O-OG 3.41Å
312	T	91.9	Very high	72.4	Confident	89 Å²	89	83.6 Å²	83.6	55%	0.546	43%	0.433	S	S	.	.	H	α-helix	trans	-71.8	-31.6	-178.5	50.7	0	0	0	0	113	T308 Y309 V310	T308-T312 HydrophobicContact CG2-CG2 4.48Å; T308-T312 WeakPolarHBondContact O-CB 3.36Å; T308-T312 VanDerWaalsContact O-CG2 3.31Å; T308-T312 WeakPolarHBondContact O-CG2 3.41Å; T308-T312 PolarHBondContact O-N 2.94Å; T308-T312 PolarHBondContact O-OG1 2.74Å; Y309-T312 PolarHBondContact O-N 3.41Å; Y309-T312 PolarHBondContact O-OG1 2.64Å; V310-T312 PolarHBondContact O-N 2.91Å
313	H	86.2	Confident	69.3	Low	95 Å²	95	89.4 Å²	89.4	44%	0.44	46%	0.462	S	S	.	.	H	α-helix	trans	-102	-17.5	-174.8	-65.9	69.6	0	0	0	114.5	Y309 V310	Y309-H313 AromaticContact CD2-CE1 3.78Å; Y309-H313 AromaticContact CD2-ND1 3.88Å; Y309-H313 HydrophobicContact CE1-CB 4.23Å; Y309-H313 AromaticContact CE2-CE1 3.56Å; Y309-H313 AromaticContact CE2-ND1 3.82Å; Y309-H313 AromaticContact CE2-NE2 3.67Å; Y309-H313 AromaticContact CZ-CD2 3.81Å; Y309-H313 AromaticContact CZ-CG 3.86Å; Y309-H313 AromaticContact CZ-NE2 3.94Å; Y309-H313 WeakPolarHBondContact O-CB 3.15Å; Y309-H313 PolarHBondContact O-N 3.31Å; Y309-H313 PolarHBondContact O-ND1 3.24Å; V310-H313 PolarHBondContact O-N 3.44Å
314	E	70.1	Confident	66.5	Low	77 Å²	77	94.4 Å²	94.4	36%	0.36	50%	0.497	S	S	.	.	H	α-helix	trans	-77.8	-26.6	170.2	-74.4	-167.4	162.8	0	0	112.2	V310 G316 R317 R325	V310-E314 VanDerWaalsContact CG1-CD 3.4Å; V310-E314 HydrophobicContact CG1-CG 3.79Å; V310-E314 VanDerWaalsContact O-CB 3.23Å; V310-E314 WeakPolarHBondContact O-CB 3.18Å; V310-E314 WeakPolarHBondContact O-CG 3.43Å; V310-E314 PolarHBondContact O-N 2.87Å; E314-G316 PolarHBondContact O-N 3.18Å; E314-R317 PolarHBondContact O-N 3.1Å; E314-R325 IonicContact OE1-NH2 3.6Å; E314-R325 IonicContact OE2-NH1 3.96Å
315	S	52.6	Low	64.1	Low	110 Å²	110	97.9 Å²	97.9	77%	0.769	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.7	-180	-59.2	0	0	0	0	114.6	R311	R311-S315 PolarHBondContact O-OG 3.41Å
316	G	40.3	Very low	61	Low	69 Å²	69	100 Å²	100	71%	0.711	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	7.6	177.7	0	0	0	0	0	115.7	E314	E314-G316 PolarHBondContact O-N 3.18Å
317	R	41.8	Very low	57.9	Low	156 Å²	156	103.4 Å²	103.4	59%	0.589	54%	0.543	S	S	*	.	S	Bend	trans	-98.5	133.1	179.5	-72.7	-175.9	179.1	175.9	0.9	111.8	E314	E314-R317 PolarHBondContact O-N 3.1Å
318	P	34.2	Very low	54.9	Low	119 Å²	119	106 Å²	106	77%	0.773	57%	0.565	S	S	*	*			trans	-59.1	140.7	174.9	-21.7	31.7	0	0	0	112.7	Q320	P318-Q320 PolarHBondContact O-N 3.41Å
319	Q	32.8	Very low	52.1	Low	151 Å²	151	109.5 Å²	109.5	71%	0.706	58%	0.581	S	S	*	*	S	Bend	trans	-58.9	15.9	-168.2	-88.5	-175.9	-15.9	0	0	119.1	Q321 Q322	Q319-Q321 VanDerWaalsContact C-N 3.28Å; Q319-Q321 PolarHBondContact O-N 2.73Å; Q319-Q322 PolarHBondContact O-N 3.14Å
320	Q	34.4	Very low	49	Very low	188 Å²	188	118.5 Å²	118.5	88%	0.879	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-6.1	-173.8	-84	-177.1	-9.5	0	0	115.8	P318	P318-Q320 PolarHBondContact O-N 3.41Å
321	Q	38	Very low	46.2	Very low	168 Å²	168	122.4 Å²	122.4	79%	0.785	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-0.9	177	-75.5	-177.6	-5.9	0	0	114.9	Q319	Q319-Q321 VanDerWaalsContact C-N 3.28Å; Q319-Q321 PolarHBondContact O-N 2.73Å
322	Q	36.7	Very low	43.8	Very low	101 Å²	101	124.3 Å²	124.3	47%	0.472	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-18.5	179.9	-103.8	170.6	-8.6	0	0	113.8	Q319 S324 R325	Q319-Q322 PolarHBondContact O-N 3.14Å; Q322-S324 VanDerWaalsContact C-N 3.26Å; Q322-S324 PolarHBondContact O-N 2.83Å; Q322-R325 PolarHBondContact O-N 3.36Å
323	H	31.9	Very low	41.2	Very low	164 Å²	164	123.6 Å²	123.6	76%	0.759	65%	0.649	S	S	*	*	H	α-helix	trans	-69.5	-12.5	-175.1	-93.5	52.1	0	0	0	115.6
324	S	37.9	Very low	38.9	Very low	106 Å²	106	126 Å²	126	74%	0.741	67%	0.665	S	S	*	*	H	α-helix	trans	-88.8	-13.6	169.5	-80	0	0	0	0	114	Q322	Q322-S324 VanDerWaalsContact C-N 3.26Å; Q322-S324 PolarHBondContact O-N 2.83Å
325	R	45.6	Very low	37.6	Very low	124 Å²	124	129.4 Å²	129.4	47%	0.468	68%	0.684	S	S	.	*	H	α-helix	trans	-85.1	-26.5	-175	-73.6	-175	175.7	171.3	2.3	113.4	E314 Q322	E314-R325 IonicContact OE1-NH2 3.6Å; E314-R325 IonicContact OE2-NH1 3.96Å; Q322-R325 PolarHBondContact O-N 3.36Å
326	T	32.2	Very low	37.1	Very low	91 Å²	91	128.2 Å²	128.2	56%	0.558	68%	0.681	S	S	*	*	H	α-helix	trans	-99.8	-21.5	-177.2	37.5	0	0	0	0	114.7	L329 R330	T326-L329 PolarHBondContact O-N 3.16Å; T326-R330 PolarHBondContact O-N 3.5Å
327	S	31.5	Very low	36.7	Very low	73 Å²	73	136.2 Å²	136.2	51%	0.51	69%	0.689	S	S	.	*	H	α-helix	trans	-71.6	-33	-179.3	129.5	0	0	0	0	113.1	L329 T331	S327-L329 VanDerWaalsContact C-N 3.29Å; S327-L329 PolarHBondContact O-N 3.07Å; S327-T331 PolarHBondContact O-N 3.48Å; S327-T331 PolarHBondContact O-OG1 3.35Å
328	A	35.3	Very low	36.5	Very low	70 Å²	70	134.7 Å²	134.7	58%	0.579	70%	0.7	S	S	*	*	H	α-helix	trans	-70.2	-23.2	178.5	0	0	0	0	0	113.7
329	L	36	Very low	36.8	Very low	145 Å²	145	140.8 Å²	140.8	76%	0.759	71%	0.707	S	S	*	*	H	α-helix	trans	-89.3	-30.4	179.6	-88.6	147.6	0	0	0	113.1	T326 S327	T326-L329 PolarHBondContact O-N 3.16Å; S327-L329 VanDerWaalsContact C-N 3.29Å; S327-L329 PolarHBondContact O-N 3.07Å
330	R	31.4	Very low	36.9	Very low	206 Å²	206	137.1 Å²	137.1	78%	0.777	71%	0.71	S	S	*	*	H	α-helix	trans	-82	-32.8	179.9	-80.4	-174.4	173.4	-173.1	-2.4	114	T326 R332 A333	T326-R330 PolarHBondContact O-N 3.5Å; R330-R332 PolarHBondContact O-N 3.06Å; R330-A333 PolarHBondContact O-N 3.2Å
331	T	36.7	Very low	37	Very low	90 Å²	90	137.3 Å²	137.3	55%	0.552	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-10.1	-173.5	-36.3	0	0	0	0	113.9	S327	S327-T331 PolarHBondContact O-N 3.48Å; S327-T331 PolarHBondContact O-OG1 3.35Å
332	R	42.8	Very low	37.1	Very low	218 Å²	218	134.2 Å²	134.2	82%	0.823	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-11.7	179	-77.3	-173.4	172.8	-171.5	-2.7	114.7	R330	R330-R332 PolarHBondContact O-N 3.06Å
333	A	37.8	Very low	37.2	Very low	75 Å²	75	136 Å²	136	62%	0.62	73%	0.726	S	S	*	*	S	Bend	trans	-80.9	-19	179.7	0	0	0	0	0	113.4	R330	R330-A333 PolarHBondContact O-N 3.2Å
334	D	36.6	Very low	37.9	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	73%	0.732	S	S	*	*	S	Bend	trans	-98.2	2.2	-172.4	-71.4	-32.5	0	0	0	114.9
335	I	43.8	Very low	38	Very low	148 Å²	148	138.6 Å²	138.6	76%	0.759	73%	0.732	S	S	*	*	S	Bend	trans	-106	-5.9	-177.9	-53.8	-178	0	0	0	112.8
336	A	40.9	Very low	37.7	Very low	84 Å²	84	144.1 Å²	144.1	69%	0.694	77%	0.771	S	S	*	*			trans	-114.3	73.5	178.6	0	0	0	0	0	111.9
337	R	32.4	Very low	37.9	Very low	237 Å²	237	146.8 Å²	146.8	89%	0.894	78%	0.781	S	S	*	*			trans	-124.1	118.2	154.4	-83	-171.5	-178.7	-176	1.3	109
338	P	37.3	Very low	38.3	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.4	133.5	172.6	27.3	-30.2	0	0	0	109.5	G340	P338-G340 PolarHBondContact O-N 3.47Å
339	R	40.2	Very low	38.4	Very low	248 Å²	248	155.1 Å²	155.1	94%	0.936	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.3	120.9	169.5	-73.1	-176.4	-176.5	-176	1.2	107.8
340	G	35	Very low	38.6	Very low	74 Å²	74	155.7 Å²	155.7	76%	0.763	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-61.8	140.8	178.4	0	0	0	0	0	112.6	P338	P338-G340 PolarHBondContact O-N 3.47Å
341	E	36.6	Very low	39	Very low	192 Å²	192	152.6 Å²	152.6	90%	0.897	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.3	129	167.6	-72.3	171.5	144.4	0	0	110.1
342	S	39.8	Very low	39.2	Very low	103 Å²	103	156.7 Å²	156.7	72%	0.72	83%	0.83	S	S	*	*			trans	-90.9	99.8	169.3	157.1	0	0	0	0	108.3
343	T	40.5	Very low	38.9	Very low	137 Å²	137	152.4 Å²	152.4	84%	0.84	83%	0.83	S	S	*	*			trans	-71.6	119.9	158.1	40.4	0	0	0	0	108.8
344	R	45.1	Very low	39	Very low	235 Å²	235	158.3 Å²	158.3	89%	0.887	85%	0.846	S	S	*	*			trans	-110.2	112.5	161.2	-88.3	-172.7	177.5	-176.2	-0	108.6
345	A	39.6	Very low	39.2	Very low	90 Å²	90	159.3 Å²	159.3	74%	0.744	85%	0.852	S	S	*	*			trans	-80.9	121.1	153.8	0	0	0	0	0	108.4
346	N	39.6	Very low	38.8	Very low	240 Å²	240	160.4 Å²	160.4	100%	1.283	86%	0.86	S	S	*	*			trans	167.6	0	137.6	-90.6	-4	0	0	0	109.1

Retrieved 346 of 346 residues in 473.4 ms (Link to these results)

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