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Peroxisomal reductase activating PPAR-gamma

Reductase required for adipogenesis and activation of PPARG nuclear receptor. Can convert acyl and alkyl dihydroxyacetone-phosphate (DHAP) into glycerolipids and ether lipids, respectively, synthesizing ether-linked phospholipids that act as agonists for PPARG. Also regulates adipogenesis by preventing adipocyte browning: following import into the nucleus, interacts with PRDM16, inhibiting the interaction between PRDM16 and PPARG and preventing differentiation of brown adipocytes.

AlphaFold DB , UniProt , Accession Z4YKT6, Species MOUSE (Mus musculus, Mouse), Gene Dhrs7b, Length 308 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	49.6	Very low	56.9	Low	244 Å²	244	109.9 Å²	109.9	100%	1.202	61%	0.613	S	S	*	*				0	112.9	0	-76.7	176.7	76.7	0	0	106.9
2	D	51.5	Low	57.7	Low	124 Å²	124	110.8 Å²	110.8	66%	0.663	61%	0.614	S	S	*	*			trans	-73.6	128	-147.3	-82.9	-46.4	0	0	0	116.9	A4 S5	D2-A4 HydrophobicContact CB-CB 4.34Å; D2-A4 PolarHBondContact O-N 3.21Å; D2-S5 PolarHBondContact O-N 3.41Å; D2-S5 PolarHBondContact O-OG 3.06Å; D2-S5 VanDerWaalsContact O-OG 3.1Å
3	L	54.5	Low	58.5	Low	137 Å²	137	109.5 Å²	109.5	72%	0.717	61%	0.605	S	S	*	*	H	α-helix	trans	-58.2	-24.4	164.7	-152	77	0	0	0	112	Q6 T7	L3-Q6 PolarHBondContact O-N 3.46Å; L3-T7 PolarHBondContact O-N 3.49Å
4	A	53.6	Low	59.4	Low	63 Å²	63	111.4 Å²	111.4	52%	0.521	60%	0.604	S	S	.	*	H	α-helix	trans	-72.2	-23.2	177.7	0	0	0	0	0	114.2	D2 T7 T8	D2-A4 HydrophobicContact CB-CB 4.34Å; D2-A4 PolarHBondContact O-N 3.21Å; A4-T7 PolarHBondContact O-OG1 3.39Å; A4-T8 PolarHBondContact O-OG1 3.34Å; A4-T8 VanDerWaalsContact O-OG1 3.1Å
5	S	53.8	Low	60.4	Low	59 Å²	59	106.2 Å²	106.2	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-77.2	-32.7	172.6	79.2	0	0	0	0	111.5	D2 T7 T8 I9	D2-S5 PolarHBondContact O-N 3.41Å; D2-S5 PolarHBondContact O-OG 3.06Å; D2-S5 VanDerWaalsContact O-OG 3.1Å; S5-T7 PolarHBondContact O-N 3.44Å; S5-T8 PolarHBondContact O-OG1 3.1Å; S5-I9 WeakPolarHBondContact O-CB 3.45Å; S5-I9 WeakPolarHBondContact O-CD1 3.48Å; S5-I9 WeakPolarHBondContact O-CG1 3.48Å; S5-I9 PolarHBondContact O-N 3.48Å
6	Q	51.9	Low	61.5	Low	135 Å²	135	104.3 Å²	104.3	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-69.2	-32.4	178.8	-75.8	-174.2	-27.6	0	0	112.9	L3	L3-Q6 PolarHBondContact O-N 3.46Å
7	T	59.2	Low	62.7	Low	95 Å²	95	103.9 Å²	103.9	58%	0.583	58%	0.578	S	S	*	*	H	α-helix	trans	-76.6	-22.1	-178.8	48.2	0	0	0	0	114.2	L3 A4 S5 P11	L3-T7 PolarHBondContact O-N 3.49Å; A4-T7 PolarHBondContact O-OG1 3.39Å; S5-T7 PolarHBondContact O-N 3.44Å; T7-P11 WeakPolarHBondContact O-CD 3.34Å; T7-P11 VanDerWaalsContact O-CG 3.31Å; T7-P11 WeakPolarHBondContact O-CG 3.38Å
8	T	59.7	Low	63.9	Low	83 Å²	83	100.4 Å²	100.4	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-94.5	-31.5	176.4	35.6	0	0	0	0	113.1	A4 S5 L10 P11 L12	A4-T8 PolarHBondContact O-OG1 3.34Å; A4-T8 VanDerWaalsContact O-OG1 3.1Å; S5-T8 PolarHBondContact O-OG1 3.1Å; T8-L10 PolarHBondContact O-N 3.1Å; T8-P11 WeakPolarHBondContact O-CD 3.44Å; T8-L12 WeakPolarHBondContact O-CD1 3.37Å; T8-L12 PolarHBondContact O-N 3.18Å
9	I	63.5	Low	65.1	Low	91 Å²	91	101.7 Å²	101.7	47%	0.467	57%	0.573	S	S	.	*	H	α-helix	trans	-66	-38.4	178.5	-70	166.5	0	0	0	111.6	S5 L12 L13	S5-I9 WeakPolarHBondContact O-CB 3.45Å; S5-I9 WeakPolarHBondContact O-CD1 3.48Å; S5-I9 WeakPolarHBondContact O-CG1 3.48Å; S5-I9 PolarHBondContact O-N 3.48Å; I9-L12 PolarHBondContact O-N 3.14Å; I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.23Å; I9-L13 WeakPolarHBondContact O-CB 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 2.96Å
10	L	59.6	Low	66.1	Low	97 Å²	97	101.6 Å²	101.6	51%	0.508	57%	0.567	S	S	.	*	H	α-helix	trans	-68.9	-46.5	-174.4	-167.4	69.7	0	0	0	113.4	T8 L12 L13 F14	T8-L10 PolarHBondContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.24Å; L10-L13 PolarHBondContact O-N 2.98Å; L10-F14 HydrophobicContact CD1-CD2 4.22Å; L10-F14 HydrophobicContact CD1-CE2 3.66Å; L10-F14 HydrophobicContact CD1-CZ 4.46Å; L10-F14 HydrophobicContact CD2-CE2 4.15Å; L10-F14 HydrophobicContact CG-CD2 3.93Å; L10-F14 HydrophobicContact CG-CE2 3.59Å; L10-F14 WeakPolarHBondContact O-CD2 3.26Å; L10-F14 PolarHBondContact O-N 2.96Å
11	P	68.8	Low	66.9	Low	81 Å²	81	100.1 Å²	100.1	53%	0.526	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-35.7	172.4	-22.3	32.6	0	0	0	113.8	T7 T8 F14 G15	T7-P11 WeakPolarHBondContact O-CD 3.34Å; T7-P11 VanDerWaalsContact O-CG 3.31Å; T7-P11 WeakPolarHBondContact O-CG 3.38Å; T8-P11 WeakPolarHBondContact O-CD 3.44Å; P11-F14 PolarHBondContact O-N 3.35Å; P11-G15 PolarHBondContact O-N 3.39Å
12	L	66.8	Low	68.7	Low	121 Å²	121	93.2 Å²	93.2	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-43.3	174.8	-102.6	135.5	0	0	0	111.6	T8 I9 L10 G15 C16	T8-L12 WeakPolarHBondContact O-CD1 3.37Å; T8-L12 PolarHBondContact O-N 3.18Å; I9-L12 PolarHBondContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.24Å; L12-G15 PolarHBondContact O-N 3.46Å; L12-C16 WeakPolarHBondContact O-CB 3.23Å; L12-C16 PolarHBondContact O-N 3.06Å; L12-C16 PolarHBondContact O-SG 3.14Å
13	L	68.7	Low	70.3	Confident	94 Å²	94	92.7 Å²	92.7	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-43.9	174.5	-76.4	168.6	0	0	0	112	I9 L10 C16 L17	I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.23Å; I9-L13 WeakPolarHBondContact O-CB 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 2.96Å; L10-L13 PolarHBondContact O-N 2.98Å; L13-C16 PolarHBondContact O-N 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.29Å
14	F	70.2	Confident	71.8	Confident	135 Å²	135	92.8 Å²	92.8	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-66.2	-38.2	175.4	-77.8	-65.1	0	0	0	112.5	L10 P11 L17 G18	L10-F14 HydrophobicContact CD1-CD2 4.22Å; L10-F14 HydrophobicContact CD1-CE2 3.66Å; L10-F14 HydrophobicContact CD1-CZ 4.46Å; L10-F14 HydrophobicContact CD2-CE2 4.15Å; L10-F14 HydrophobicContact CG-CD2 3.93Å; L10-F14 HydrophobicContact CG-CE2 3.59Å; L10-F14 WeakPolarHBondContact O-CD2 3.26Å; L10-F14 PolarHBondContact O-N 2.96Å; P11-F14 PolarHBondContact O-N 3.35Å; F14-L17 PolarHBondContact O-N 3.4Å; F14-G18 PolarHBondContact O-N 3.04Å
15	G	74.7	Confident	73.4	Confident	34 Å²	34	94.2 Å²	94.2	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-45.9	172.4	0	0	0	0	0	112.3	P11 L12 G18 I19	P11-G15 PolarHBondContact O-N 3.39Å; L12-G15 PolarHBondContact O-N 3.46Å; G15-G18 PolarHBondContact O-N 3.3Å; G15-I19 WeakPolarHBondContact O-CB 3.26Å; G15-I19 VanDerWaalsContact O-CG1 3.26Å; G15-I19 WeakPolarHBondContact O-CG1 3.47Å; G15-I19 PolarHBondContact O-N 3.23Å
16	C	78.8	Confident	75	Confident	76 Å²	76	96 Å²	96	51%	0.514	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-42	175.1	-71.4	0	0	0	0	112.2	L12 L13 F20	L12-C16 WeakPolarHBondContact O-CB 3.23Å; L12-C16 PolarHBondContact O-N 3.06Å; L12-C16 PolarHBondContact O-SG 3.14Å; L13-C16 PolarHBondContact O-N 3.32Å; C16-F20 WeakPolarHBondContact O-CB 3.26Å; C16-F20 PolarHBondContact O-N 3.13Å
17	L	81	Confident	76.5	Confident	98 Å²	98	92.7 Å²	92.7	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-39.8	175.1	-75.3	167.8	0	0	0	112	L13 F14 S21	L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.29Å; F14-L17 PolarHBondContact O-N 3.4Å; L17-S21 VanDerWaalsContact O-CB 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.16Å; L17-S21 PolarHBondContact O-N 2.87Å; L17-S21 PolarHBondContact O-OG 3.43Å
18	G	84.8	Confident	77.6	Confident	41 Å²	41	95.5 Å²	95.5	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-49.6	175.5	0	0	0	0	0	112.3	F14 G15 F20 S21 L22	F14-G18 PolarHBondContact O-N 3.04Å; G15-G18 PolarHBondContact O-N 3.3Å; G18-F20 VanDerWaalsContact C-N 3.34Å; G18-F20 PolarHBondContact O-N 2.91Å; G18-S21 PolarHBondContact O-N 3.46Å; G18-L22 WeakPolarHBondContact O-CB 3.37Å; G18-L22 PolarHBondContact O-N 2.89Å
19	I	85.9	Confident	78.8	Confident	124 Å²	124	96.3 Å²	96.3	64%	0.636	50%	0.501	S	S	*	.	H	α-helix	trans	-61.2	-43.4	176.1	-67.7	165.8	0	0	0	110.7	G15 L22 F23	G15-I19 WeakPolarHBondContact O-CB 3.26Å; G15-I19 VanDerWaalsContact O-CG1 3.26Å; G15-I19 WeakPolarHBondContact O-CG1 3.47Å; G15-I19 PolarHBondContact O-N 3.23Å; I19-L22 PolarHBondContact O-N 2.88Å; I19-F23 VanDerWaalsContact O-CB 3.26Å; I19-F23 WeakPolarHBondContact O-CB 3.34Å; I19-F23 PolarHBondContact O-N 3.23Å
20	F	84.8	Confident	79.9	Confident	100 Å²	100	100.1 Å²	100.1	44%	0.439	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-41.6	177.6	-178.6	-103.3	0	0	0	112.3	C16 G18 F23 R24	C16-F20 WeakPolarHBondContact O-CB 3.26Å; C16-F20 PolarHBondContact O-N 3.13Å; G18-F20 VanDerWaalsContact C-N 3.34Å; G18-F20 PolarHBondContact O-N 2.91Å; F20-F23 PolarHBondContact O-N 2.93Å; F20-R24 HydrophobicContact CE1-CG 4.33Å; F20-R24 HydrophobicContact CZ-CG 4.45Å; F20-R24 PolarHBondContact O-N 2.84Å
21	S	83.8	Confident	81	Confident	71 Å²	71	95.7 Å²	95.7	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-43.7	177.2	-61.3	0	0	0	0	111.5	L17 G18 R24 L25	L17-S21 VanDerWaalsContact O-CB 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.16Å; L17-S21 PolarHBondContact O-N 2.87Å; L17-S21 PolarHBondContact O-OG 3.43Å; G18-S21 PolarHBondContact O-N 3.46Å; S21-R24 PolarHBondContact O-N 3.39Å; S21-L25 WeakPolarHBondContact O-CB 3.48Å; S21-L25 PolarHBondContact O-N 2.93Å
22	L	87.3	Confident	81.8	Confident	98 Å²	98	97.2 Å²	97.2	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-44.7	174	-179.6	61.5	0	0	0	111.3	G18 I19 R24 L25 L26	G18-L22 WeakPolarHBondContact O-CB 3.37Å; G18-L22 PolarHBondContact O-N 2.89Å; I19-L22 PolarHBondContact O-N 2.88Å; L22-R24 PolarHBondContact O-N 3.31Å; L22-L25 WeakPolarHBondContact O-CB 3.18Å; L22-L25 PolarHBondContact O-N 3.35Å; L22-L25 VanDerWaalsContact O-N 3.16Å; L22-L26 HydrophobicContact CD1-CD1 4.47Å; L22-L26 HydrophobicContact CD1-CG 4.34Å; L22-L26 HydrophobicContact CG-CD1 4.2Å; L22-L26 HydrophobicContact CG-CG 4.49Å; L22-L26 WeakPolarHBondContact O-CG 3.13Å; L22-L26 PolarHBondContact O-N 2.86Å
23	F	86.2	Confident	82.7	Confident	113 Å²	113	93.9 Å²	93.9	50%	0.496	47%	0.474	S	S	.	.	H	α-helix	trans	-59.6	-44.6	175.7	178.3	-105.1	0	0	0	111.8	I19 F20 L25 L26 Q27	I19-F23 VanDerWaalsContact O-CB 3.26Å; I19-F23 WeakPolarHBondContact O-CB 3.34Å; I19-F23 PolarHBondContact O-N 3.23Å; F20-F23 PolarHBondContact O-N 2.93Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.3Å; F23-L26 PolarHBondContact O-N 3.42Å; F23-Q27 HydrophobicContact CD1-CG 4.46Å; F23-Q27 HydrophobicContact CE1-CG 4.15Å; F23-Q27 HydrophobicContact CE2-CG 4.43Å; F23-Q27 HydrophobicContact CZ-CG 4.15Å; F23-Q27 WeakPolarHBondContact O-CB 3.04Å; F23-Q27 WeakPolarHBondContact O-CG 3.31Å; F23-Q27 PolarHBondContact O-N 3.01Å
24	R	85.8	Confident	83.8	Confident	140 Å²	140	92.4 Å²	92.4	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-40.4	173.9	-80.5	-167.9	173.2	-165.3	0.8	112.4	F20 S21 L22 Q27 R28	F20-R24 HydrophobicContact CE1-CG 4.33Å; F20-R24 HydrophobicContact CZ-CG 4.45Å; F20-R24 PolarHBondContact O-N 2.84Å; S21-R24 PolarHBondContact O-N 3.39Å; L22-R24 PolarHBondContact O-N 3.31Å; R24-Q27 PolarHBondContact O-N 3.47Å; R24-R28 WeakPolarHBondContact O-CG 3.38Å; R24-R28 PolarHBondContact O-N 3.44Å
25	L	86	Confident	84.9	Confident	92 Å²	92	86 Å²	86	48%	0.482	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-48.8	176.6	179.8	62.9	0	0	0	111	S21 L22 F23 Q27 R28 I29	S21-L25 WeakPolarHBondContact O-CB 3.48Å; S21-L25 PolarHBondContact O-N 2.93Å; L22-L25 WeakPolarHBondContact O-CB 3.18Å; L22-L25 PolarHBondContact O-N 3.35Å; L22-L25 VanDerWaalsContact O-N 3.16Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.3Å; L25-Q27 VanDerWaalsContact C-N 3.32Å; L25-Q27 PolarHBondContact O-N 3.44Å; L25-R28 WeakPolarHBondContact O-CB 3.09Å; L25-R28 PolarHBondContact O-N 3.37Å; L25-R28 VanDerWaalsContact O-N 3.12Å; L25-I29 HydrophobicContact CD1-CD1 4.24Å; L25-I29 HydrophobicContact CD1-CG1 4.49Å; L25-I29 HydrophobicContact CG-CD1 4.01Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 2.84Å
26	L	87.1	Confident	85.9	Confident	98 Å²	98	91.1 Å²	91.1	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-41.2	176.6	-69	174.3	0	0	0	111.8	L22 F23 R28 I29 R30	L22-L26 HydrophobicContact CD1-CD1 4.47Å; L22-L26 HydrophobicContact CD1-CG 4.34Å; L22-L26 HydrophobicContact CG-CD1 4.2Å; L22-L26 HydrophobicContact CG-CG 4.49Å; L22-L26 WeakPolarHBondContact O-CG 3.13Å; L22-L26 PolarHBondContact O-N 2.86Å; F23-L26 PolarHBondContact O-N 3.42Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 3.4Å; L26-I29 PolarHBondContact O-N 3.44Å; L26-R30 WeakPolarHBondContact O-CB 3.21Å; L26-R30 PolarHBondContact O-N 3.2Å
27	Q	83.3	Confident	86.7	Confident	65 Å²	65	90.3 Å²	90.3	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-41.2	173.9	-77.9	-164.8	-17.9	0	0	112.6	F23 R24 L25 S31	F23-Q27 HydrophobicContact CD1-CG 4.46Å; F23-Q27 HydrophobicContact CE1-CG 4.15Å; F23-Q27 HydrophobicContact CE2-CG 4.43Å; F23-Q27 HydrophobicContact CZ-CG 4.15Å; F23-Q27 WeakPolarHBondContact O-CB 3.04Å; F23-Q27 WeakPolarHBondContact O-CG 3.31Å; F23-Q27 PolarHBondContact O-N 3.01Å; R24-Q27 PolarHBondContact O-N 3.47Å; L25-Q27 VanDerWaalsContact C-N 3.32Å; L25-Q27 PolarHBondContact O-N 3.44Å; Q27-S31 VanDerWaalsContact O-CB 3.29Å; Q27-S31 WeakPolarHBondContact O-CB 3.18Å; Q27-S31 PolarHBondContact O-N 3.47Å; Q27-S31 PolarHBondContact O-OG 2.92Å
28	R	82.7	Confident	87.5	Confident	154 Å²	154	86 Å²	86	58%	0.581	41%	0.412	S	S	*	.	H	α-helix	trans	-64.5	-46.2	176.2	-79.8	179.6	173.5	169.1	-1.9	111.5	R24 L25 L26 R30 S31 K32	R24-R28 WeakPolarHBondContact O-CG 3.38Å; R24-R28 PolarHBondContact O-N 3.44Å; L25-R28 WeakPolarHBondContact O-CB 3.09Å; L25-R28 PolarHBondContact O-N 3.37Å; L25-R28 VanDerWaalsContact O-N 3.12Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 3.4Å; R28-R30 VanDerWaalsContact C-N 3.35Å; R28-R30 PolarHBondContact O-N 2.93Å; R28-S31 PolarHBondContact O-N 3.31Å; R28-K32 WeakPolarHBondContact O-CB 3.17Å; R28-K32 PolarHBondContact O-N 3.15Å
29	I	85.4	Confident	88.2	Confident	99 Å²	99	84 Å²	84	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-59.2	-47.7	177.4	-68	168.3	0	0	0	110.1	L25 L26 S31 K32 A33	L25-I29 HydrophobicContact CD1-CD1 4.24Å; L25-I29 HydrophobicContact CD1-CG1 4.49Å; L25-I29 HydrophobicContact CG-CD1 4.01Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 2.84Å; L26-I29 PolarHBondContact O-N 3.44Å; I29-S31 PolarHBondContact O-N 3.06Å; I29-K32 PolarHBondContact O-N 3.3Å; I29-A33 WeakPolarHBondContact O-CB 3.46Å; I29-A33 PolarHBondContact O-N 3.42Å
30	R	86.4	Confident	88.8	Confident	172 Å²	172	78.1 Å²	78.1	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-63.6	-40.9	178.9	-162.7	-179.3	86.7	154.6	3.3	112.5	L26 R28 A33 Y34	L26-R30 WeakPolarHBondContact O-CB 3.21Å; L26-R30 PolarHBondContact O-N 3.2Å; R28-R30 VanDerWaalsContact C-N 3.35Å; R28-R30 PolarHBondContact O-N 2.93Å; R30-A33 PolarHBondContact O-N 3.26Å; R30-Y34 WeakPolarHBondContact O-CB 3.46Å; R30-Y34 PolarHBondContact O-N 3.06Å
31	S	83.4	Confident	89.4	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-46.4	177.5	-62	0	0	0	0	111.2	Q27 R28 I29 A33 Y34 L35	Q27-S31 VanDerWaalsContact O-CB 3.29Å; Q27-S31 WeakPolarHBondContact O-CB 3.18Å; Q27-S31 PolarHBondContact O-N 3.47Å; Q27-S31 PolarHBondContact O-OG 2.92Å; R28-S31 PolarHBondContact O-N 3.31Å; I29-S31 PolarHBondContact O-N 3.06Å; S31-A33 VanDerWaalsContact C-N 3.35Å; S31-A33 PolarHBondContact O-N 2.99Å; S31-Y34 PolarHBondContact O-N 3.48Å; S31-L35 PolarHBondContact O-N 3.12Å
32	K	84.6	Confident	90.2	Very high	114 Å²	114	70 Å²	70	50%	0.496	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-41.1	176	-170.1	172.9	-177	174.7	0	111.5	R28 I29 Y34 L35 R36	R28-K32 WeakPolarHBondContact O-CB 3.17Å; R28-K32 PolarHBondContact O-N 3.15Å; I29-K32 PolarHBondContact O-N 3.3Å; K32-Y34 VanDerWaalsContact C-N 3.35Å; K32-Y34 PolarHBondContact O-N 2.69Å; K32-L35 PolarHBondContact O-N 2.96Å; K32-R36 WeakPolarHBondContact O-CB 3.42Å; K32-R36 PolarHBondContact O-N 2.95Å
33	A	86.3	Confident	90.7	Very high	50 Å²	50	65.3 Å²	65.3	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-37.9	176.5	0	0	0	0	0	112.9	I29 R30 S31 L35	I29-A33 WeakPolarHBondContact O-CB 3.46Å; I29-A33 PolarHBondContact O-N 3.42Å; R30-A33 PolarHBondContact O-N 3.26Å; S31-A33 VanDerWaalsContact C-N 3.35Å; S31-A33 PolarHBondContact O-N 2.99Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.92Å
34	Y	91.3	Very high	91.2	Very high	63 Å²	63	60.8 Å²	60.8	25%	0.247	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-34.7	176.3	172.8	-112.4	0	0	0	113	R30 S31 K32 H171 V263 K266	R30-Y34 WeakPolarHBondContact O-CB 3.46Å; R30-Y34 PolarHBondContact O-N 3.06Å; S31-Y34 PolarHBondContact O-N 3.48Å; K32-Y34 VanDerWaalsContact C-N 3.35Å; K32-Y34 PolarHBondContact O-N 2.69Å; Y34-H171 AromaticContact CE1-ND1 3.9Å; Y34-H171 PolarHBondContact OH-ND1 3.19Å; Y34-V263 HydrophobicContact CE1-CG1 4.48Å; Y34-K266 HydrophobicContact CE1-CG 4.46Å; Y34-K266 VanDerWaalsContact CZ-CE 3.49Å
35	L	94.6	Very high	91.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-95.6	-14.1	-176.2	-66.8	175.4	0	0	0	113.8	S31 K32 A33 N37 A38 F57 V121 F260 V263	S31-L35 PolarHBondContact O-N 3.12Å; K32-L35 PolarHBondContact O-N 2.96Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.92Å; L35-N37 PolarHBondContact O-N 3.44Å; L35-A38 WeakPolarHBondContact O-CB 3.34Å; L35-A38 PolarHBondContact O-N 3.31Å; L35-F57 HydrophobicContact CD1-CD1 4.32Å; L35-F57 HydrophobicContact CD1-CE1 3.78Å; L35-F57 HydrophobicContact CD1-CZ 4.31Å; L35-F57 HydrophobicContact CD2-CD1 4.4Å; L35-F57 HydrophobicContact CD2-CE1 3.85Å; L35-F57 HydrophobicContact CG-CE1 4.37Å; L35-V121 HydrophobicContact CD2-CG2 4.11Å; L35-F260 HydrophobicContact CB-CE2 3.94Å; L35-F260 HydrophobicContact CB-CZ 4.3Å; L35-F260 HydrophobicContact CD1-CD1 4.48Å; L35-F260 HydrophobicContact CD1-CD2 3.47Å; L35-F260 VanDerWaalsContact CD1-CD2 3.47Å; L35-F260 HydrophobicContact CD1-CE1 4.31Å; L35-F260 HydrophobicContact CD1-CE2 3.24Å; L35-F260 HydrophobicContact CD1-CG 4.1Å; L35-F260 HydrophobicContact CD1-CZ 3.72Å; L35-F260 HydrophobicContact CG-CE2 4.21Å; L35-V263 HydrophobicContact CD1-CG1 4.42Å; L35-V263 HydrophobicContact CD2-CG1 3.91Å
36	R	94.7	Very high	92.2	Very high	143 Å²	143	51.9 Å²	51.9	54%	0.54	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	128.4	174.6	-173.8	174.1	67.1	-161.1	3.1	109.6	K32 A38	K32-R36 WeakPolarHBondContact O-CB 3.42Å; K32-R36 PolarHBondContact O-N 2.95Å; R36-A38 PolarHBondContact O-N 2.9Å; R36-A38 VanDerWaalsContact O-N 3.14Å
37	N	95.8	Very high	92.5	Very high	58 Å²	58	50.2 Å²	50.2	31%	0.31	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	3.9	-175.5	-56.9	-37.1	0	0	0	115.8	L35 G61 H90	L35-N37 PolarHBondContact O-N 3.44Å; N37-G61 WeakPolarHBondContact CA-O 3.39Å; N37-G61 PolarHBondContact N-O 3.07Å; N37-H90 PolarHBondContact OD1-NE2 2.78Å
38	A	97.6	Very high	93.1	Very high	7 Å²	7	48.4 Å²	48.4	6%	0.058	24%	0.238	C	C	.	.			trans	-66.1	141.3	173.9	0	0	0	0	0	110.1	L35 R36 V40 K63 D120	L35-A38 WeakPolarHBondContact O-CB 3.34Å; L35-A38 PolarHBondContact O-N 3.31Å; R36-A38 PolarHBondContact O-N 2.9Å; R36-A38 VanDerWaalsContact O-N 3.14Å; A38-V40 HydrophobicContact CB-CG2 4.22Å; A38-V40 PolarHBondContact O-N 2.76Å; A38-K63 PolarHBondContact O-N 2.74Å; A38-D120 VanDerWaalsContact CA-OD2 3.28Å; A38-D120 WeakPolarHBondContact CA-OD2 3.38Å; A38-D120 HydrophobicContact CB-CB 4.09Å
39	V	98.6	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.9	173.1	-178.3	0	0	0	0	109.4	K63 V65 F116 Y118 D120 V121	V39-K63 CarbonylContact C-O 3.6Å; V39-K63 WeakPolarHBondContact CA-O 3.27Å; V39-K63 HydrophobicContact CG2-CB 4.2Å; V39-K63 HydrophobicContact CG2-CD 4.17Å; V39-V65 HydrophobicContact CG1-CG2 4.41Å; V39-F116 HydrophobicContact CB-CB 4.46Å; V39-F116 HydrophobicContact CG1-CB 4.05Å; V39-F116 HydrophobicContact CG1-CD2 3.65Å; V39-F116 HydrophobicContact CG1-CG 4.21Å; V39-F116 HydrophobicContact CG2-CB 3.56Å; V39-F116 HydrophobicContact CG2-CD2 4.1Å; V39-F116 HydrophobicContact CG2-CG 3.91Å; V39-Y118 HydrophobicContact CB-CD2 4.22Å; V39-Y118 HydrophobicContact CB-CE2 4.11Å; V39-Y118 VanDerWaalsContact CG1-O 3.22Å; V39-Y118 WeakPolarHBondContact CG1-O 3.45Å; V39-Y118 HydrophobicContact CG2-CD2 3.92Å; V39-Y118 HydrophobicContact CG2-CE2 3.46Å; V39-Y118 VanDerWaalsContact CG2-CE2 3.46Å; V39-D120 PolarHBondContact N-OD2 3.21Å; V39-D120 PolarHBondContact O-N 2.87Å; V39-V121 PolarHBondContact O-N 3.04Å
40	V	98.8	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.8	-173.5	-176	0	0	0	0	110.4	A38 V42 F57 A62 K63 L64 V65 V121 I123	A38-V40 HydrophobicContact CB-CG2 4.22Å; A38-V40 PolarHBondContact O-N 2.76Å; V40-V42 HydrophobicContact CG1-CG2 4.04Å; V40-F57 HydrophobicContact CB-CD1 4.35Å; V40-F57 HydrophobicContact CG1-CD1 3.87Å; V40-F57 HydrophobicContact CG1-CE1 4.16Å; V40-F57 HydrophobicContact CG1-CG 4.37Å; V40-F57 HydrophobicContact CG2-CD1 3.91Å; V40-F57 HydrophobicContact CG2-CE1 4.37Å; V40-A62 HydrophobicContact CG2-CB 3.88Å; V40-K63 PolarHBondContact N-O 3.07Å; V40-L64 HydrophobicContact CB-CD2 3.81Å; V40-L64 HydrophobicContact CG1-CD2 4.3Å; V40-L64 WeakPolarHBondContact O-CA 3.27Å; V40-V65 PolarHBondContact O-N 2.98Å; V40-V121 CarbonylContact C-O 3.34Å; V40-V121 WeakPolarHBondContact CA-O 3.46Å; V40-V121 HydrophobicContact CB-CB 4.37Å; V40-V121 HydrophobicContact CG1-CB 4.12Å; V40-V121 HydrophobicContact CG1-CG1 4.35Å; V40-V121 HydrophobicContact CG2-CB 3.95Å; V40-V121 HydrophobicContact CG2-CG2 4.09Å; V40-I123 HydrophobicContact CG1-CD1 3.84Å; V40-I123 HydrophobicContact CG1-CG1 4.12Å
41	V	98.9	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.3	175.7	-179.6	0	0	0	0	108.7	V65 I112 V119 V121 L122 I123	V41-V65 WeakPolarHBondContact CA-O 3.42Å; V41-V65 HydrophobicContact CG2-CB 4.08Å; V41-V65 HydrophobicContact CG2-CG2 4.35Å; V41-I112 HydrophobicContact CG1-CD1 4.1Å; V41-I112 HydrophobicContact CG1-CG2 4.37Å; V41-I112 HydrophobicContact CG2-CG2 3.48Å; V41-I112 VanDerWaalsContact CG2-CG2 3.48Å; V41-V119 HydrophobicContact CB-CG1 4.37Å; V41-V119 HydrophobicContact CG2-CB 4.3Å; V41-V119 HydrophobicContact CG2-CG1 3.62Å; V41-V119 HydrophobicContact CG2-CG2 3.64Å; V41-V121 PolarHBondContact N-O 3.42Å; V41-L122 HydrophobicContact CB-CD1 3.95Å; V41-L122 HydrophobicContact CG1-CD1 3.8Å; V41-I123 PolarHBondContact O-N 3.09Å
42	V	98.8	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.6	179.9	-172.1	0	0	0	0	110.4	V40 A45 V65 C67 I123	V40-V42 HydrophobicContact CG1-CG2 4.04Å; V42-A45 HydrophobicContact CB-CB 4.39Å; V42-A45 HydrophobicContact CG1-CB 4.29Å; V42-V65 PolarHBondContact N-O 3.07Å; V42-C67 WeakPolarHBondContact O-CB 3.46Å; V42-C67 PolarHBondContact O-N 3.33Å; V42-I123 HydrophobicContact CG2-CD1 4.17Å
43	T	98.4	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.5	173.8	59.8	0	0	0	0	111.8	A45 C67 F97 L99 I123 N124 N125 A126 L156	T43-A45 VanDerWaalsContact C-N 3.3Å; T43-C67 HydrophobicContact CG2-CB 4.31Å; T43-F97 HydrophobicContact CG2-CZ 4.32Å; T43-L99 HydrophobicContact CG2-CD1 4.46Å; T43-I123 PolarHBondContact N-O 3.06Å; T43-I123 VanDerWaalsContact N-O 3.07Å; T43-I123 PolarHBondContact OG1-O 3.47Å; T43-N124 WeakPolarHBondContact OG1-CA 3.48Å; T43-N125 WeakPolarHBondContact O-CB 3.41Å; T43-N125 PolarHBondContact O-ND2 3.28Å; T43-N125 PolarHBondContact OG1-N 3.24Å; T43-A126 PolarHBondContact O-N 3.29Å; T43-A126 PolarHBondContact OG1-N 2.96Å; T43-A126 VanDerWaalsContact OG1-N 3.15Å; T43-L156 HydrophobicContact CG2-CD2 3.49Å; T43-L156 VanDerWaalsContact CG2-CD2 3.49Å
44	G	96.8	Very high	97	Very high	18 Å²	18	26.3 Å²	26.3	19%	0.186	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	35.3	-177.1	0	0	0	0	0	111.8	T46 C67 N125	G44-T46 PolarHBondContact O-N 3.06Å; G44-C67 PolarHBondContact N-O 2.9Å; G44-N125 PolarHBondContact O-ND2 3.27Å
45	A	97.3	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-170.9	0	0	0	0	0	114.2	V42 T43 S47 R51 L66 C67 L74 L77	V42-A45 HydrophobicContact CB-CB 4.39Å; V42-A45 HydrophobicContact CG1-CB 4.29Å; T43-A45 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.01Å; A45-R51 WeakPolarHBondContact O-CA 3.36Å; A45-R51 VanDerWaalsContact O-CB 3.29Å; A45-R51 WeakPolarHBondContact O-CB 3.49Å; A45-R51 PolarHBondContact O-N 2.71Å; A45-L66 HydrophobicContact CB-CB 4.07Å; A45-L66 HydrophobicContact CB-CD2 4.12Å; A45-C67 PolarHBondContact N-O 2.82Å; A45-C67 VanDerWaalsContact N-O 3.12Å; A45-L74 HydrophobicContact CB-CD2 4.04Å; A45-L77 HydrophobicContact CB-CD2 4.33Å; A45-L77 WeakPolarHBondContact O-CD2 3.4Å
46	T	95.6	Very high	97.4	Very high	44 Å²	44	27 Å²	27	27%	0.27	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.7	-169.7	56.5	0	0	0	0	115	G44 A73 L74	G44-T46 PolarHBondContact O-N 3.06Å; T46-A73 HydrophobicContact CG2-CB 3.74Å; T46-L74 HydrophobicContact CG2-CB 4.33Å; T46-L74 HydrophobicContact CG2-CD2 3.41Å; T46-L74 VanDerWaalsContact CG2-CD2 3.41Å; T46-L74 HydrophobicContact CG2-CG 3.5Å; T46-L74 VanDerWaalsContact CG2-CG 3.5Å
47	S	93.7	Very high	97.5	Very high	64 Å²	64	20.1 Å²	20.1	45%	0.448	12%	0.117	S	C	.	.	S	Bend	trans	-152.8	161.7	-177	70.2	0	0	0	0	114	A45 L49 G50 R51	A45-S47 PolarHBondContact O-N 3.01Å; S47-L49 PolarHBondContact O-N 2.91Å; S47-G50 PolarHBondContact O-N 3.48Å; S47-R51 PolarHBondContact O-N 3.45Å
48	G	95.9	Very high	97.5	Very high	26 Å²	26	17.5 Å²	17.5	27%	0.268	10%	0.103	S	C	.	.	H	α-helix	trans	53	-133.4	172.2	0	0	0	0	0	113.2	G50 R51 E52	G48-G50 VanDerWaalsContact C-N 3.32Å; G48-G50 PolarHBondContact O-N 3.31Å; G48-R51 PolarHBondContact O-N 2.92Å; G48-E52 PolarHBondContact O-N 3.02Å
49	L	98.1	Very high	97.4	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-37.4	-179.2	-179.3	63	0	0	0	112.7	S47 R51 E52 C53 I175 I223 V255 A256 V259	S47-L49 PolarHBondContact O-N 2.91Å; L49-R51 PolarHBondContact O-N 3.29Å; L49-E52 PolarHBondContact O-N 3.23Å; L49-C53 WeakPolarHBondContact O-CB 3.31Å; L49-C53 PolarHBondContact O-N 3.37Å; L49-C53 PolarHBondContact O-SG 3.41Å; L49-I175 HydrophobicContact CD2-CD1 4.39Å; L49-I175 HydrophobicContact CD2-CG1 4.34Å; L49-I175 HydrophobicContact CD2-CG2 3.78Å; L49-I223 HydrophobicContact CB-CD1 4.41Å; L49-I223 HydrophobicContact CD2-CD1 3.96Å; L49-V255 HydrophobicContact CD1-CB 3.97Å; L49-V255 HydrophobicContact CD1-CG1 3.78Å; L49-V255 HydrophobicContact CD2-CG1 4.3Å; L49-A256 HydrophobicContact CD1-CB 4.02Å; L49-V259 HydrophobicContact CD1-CG2 4.44Å; L49-V259 HydrophobicContact CD2-CG2 4.49Å
50	G	98.1	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-42.1	-178.8	0	0	0	0	0	112.8	S47 G48 C53 A54 N125	S47-G50 PolarHBondContact O-N 3.48Å; G48-G50 VanDerWaalsContact C-N 3.32Å; G48-G50 PolarHBondContact O-N 3.31Å; G50-C53 PolarHBondContact O-N 2.93Å; G50-A54 PolarHBondContact O-N 3.49Å; G50-N125 WeakPolarHBondContact CA-ND2 3.48Å; G50-N125 PolarHBondContact N-ND2 2.96Å
51	R	98.3	Very high	96.9	Very high	80 Å²	80	21 Å²	21	30%	0.302	13%	0.132	S	C	.	.	H	α-helix	trans	-64	-44.1	176.3	-176.1	172.9	177.4	-123.7	8	112	A45 S47 G48 L49 A54 K55 L77 E80	A45-R51 WeakPolarHBondContact O-CA 3.36Å; A45-R51 VanDerWaalsContact O-CB 3.29Å; A45-R51 WeakPolarHBondContact O-CB 3.49Å; A45-R51 PolarHBondContact O-N 2.71Å; S47-R51 PolarHBondContact O-N 3.45Å; G48-R51 PolarHBondContact O-N 2.92Å; L49-R51 PolarHBondContact O-N 3.29Å; R51-A54 WeakPolarHBondContact O-CB 3.37Å; R51-A54 PolarHBondContact O-N 3.43Å; R51-K55 WeakPolarHBondContact O-CG 3.43Å; R51-K55 PolarHBondContact O-N 2.9Å; R51-L77 HydrophobicContact CG-CD1 3.9Å; R51-L77 HydrophobicContact CG-CD2 4.22Å; R51-E80 IonicContact CZ-OE1 2.79Å; R51-E80 IonicContact CZ-OE2 2.69Å; R51-E80 IonicContact NE-OE2 3.55Å; R51-E80 VanDerWaalsContact NH2-CD 3.26Å; R51-E80 IonicContact NH2-OE1 3.03Å; R51-E80 PolarHBondContact NH2-OE1 3.42Å; R51-E80 IonicContact NH2-OE2 2.7Å; R51-E80 PolarHBondContact NH2-OE2 2.76Å
52	E	98.4	Very high	96.8	Very high	36 Å²	36	21 Å²	21	17%	0.168	13%	0.132	C	C	.	.	H	α-helix	trans	-71.1	-34.6	179.3	-62.1	-53.3	131.2	0	0	111.9	G48 L49 K55 V56 A252 A253 A256	G48-E52 PolarHBondContact O-N 3.02Å; L49-E52 PolarHBondContact O-N 3.23Å; E52-K55 PolarHBondContact O-N 3.46Å; E52-K55 IonicContact OE1-NZ 2.73Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CD 3.48Å; E52-K55 IonicContact OE2-NZ 3.49Å; E52-V56 WeakPolarHBondContact O-CG2 3.24Å; E52-V56 PolarHBondContact O-N 3.35Å; E52-A252 HydrophobicContact CB-CB 4.39Å; E52-A252 HydrophobicContact CG-CB 3.77Å; E52-A253 HydrophobicContact CG-CB 4.47Å; E52-A256 VanDerWaalsContact C-CB 3.44Å; E52-A256 HydrophobicContact CB-CB 3.62Å
53	C	98.6	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-47	168.4	-75.3	0	0	0	0	111.1	L49 G50 K55 V56 F57	L49-C53 WeakPolarHBondContact O-CB 3.31Å; L49-C53 PolarHBondContact O-N 3.37Å; L49-C53 PolarHBondContact O-SG 3.41Å; G50-C53 PolarHBondContact O-N 2.93Å; C53-K55 VanDerWaalsContact C-N 3.3Å; C53-K55 PolarHBondContact O-N 3.46Å; C53-V56 PolarHBondContact O-N 3.12Å; C53-F57 WeakPolarHBondContact O-CB 3.38Å; C53-F57 WeakPolarHBondContact O-CD2 3.44Å; C53-F57 PolarHBondContact O-N 2.97Å
54	A	98.3	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.5	-45	176.5	0	0	0	0	0	111.5	G50 R51 H58 L64 L66 L77 L81	G50-A54 PolarHBondContact O-N 3.49Å; R51-A54 WeakPolarHBondContact O-CB 3.37Å; R51-A54 PolarHBondContact O-N 3.43Å; A54-H58 WeakPolarHBondContact O-CB 3.39Å; A54-H58 PolarHBondContact O-N 2.92Å; A54-L64 HydrophobicContact CB-CD1 4.19Å; A54-L64 VanDerWaalsContact O-CD1 3.24Å; A54-L64 WeakPolarHBondContact O-CD1 3.39Å; A54-L66 HydrophobicContact CB-CD2 3.72Å; A54-L77 HydrophobicContact CB-CD2 4.2Å; A54-L81 HydrophobicContact CB-CD1 4.22Å
55	K	97.4	Very high	96.9	Very high	51 Å²	51	22.4 Å²	22.4	22%	0.222	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-50.4	175.9	-70	171.6	177.9	176.3	0	113.2	R51 E52 C53 F57 H58 A59 E80 L81	R51-K55 WeakPolarHBondContact O-CG 3.43Å; R51-K55 PolarHBondContact O-N 2.9Å; E52-K55 PolarHBondContact O-N 3.46Å; E52-K55 IonicContact OE1-NZ 2.73Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CD 3.48Å; E52-K55 IonicContact OE2-NZ 3.49Å; C53-K55 VanDerWaalsContact C-N 3.3Å; C53-K55 PolarHBondContact O-N 3.46Å; K55-F57 PolarHBondContact O-N 2.91Å; K55-H58 PolarHBondContact O-N 3.44Å; K55-A59 WeakPolarHBondContact O-CB 3.38Å; K55-A59 PolarHBondContact O-N 3.4Å; K55-E80 WeakPolarHBondContact CE-OE1 3.45Å; K55-E80 IonicContact NZ-OE1 3.2Å; K55-L81 HydrophobicContact CB-CD2 4.24Å; K55-L81 HydrophobicContact CG-CD2 3.71Å
56	V	96.3	Very high	96.9	Very high	26 Å²	26	22.4 Å²	22.4	16%	0.158	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-42.9	-177.1	173.7	0	0	0	0	111.3	E52 C53 A60 A256 F260	E52-V56 WeakPolarHBondContact O-CG2 3.24Å; E52-V56 PolarHBondContact O-N 3.35Å; C53-V56 PolarHBondContact O-N 3.12Å; V56-A60 PolarHBondContact O-N 2.85Å; V56-A256 HydrophobicContact CG2-CB 4.05Å; V56-F260 HydrophobicContact CG1-CB 3.54Å; V56-F260 HydrophobicContact CG1-CD1 4.37Å; V56-F260 HydrophobicContact CG1-CD2 3.79Å; V56-F260 HydrophobicContact CG1-CG 3.65Å
57	F	97.2	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.9	-39.1	178.3	-80	-103.9	0	0	0	112	L35 V40 C53 K55 A60 G61 A62 L64 I123 V259 F260 V263	L35-F57 HydrophobicContact CD1-CD1 4.32Å; L35-F57 HydrophobicContact CD1-CE1 3.78Å; L35-F57 HydrophobicContact CD1-CZ 4.31Å; L35-F57 HydrophobicContact CD2-CD1 4.4Å; L35-F57 HydrophobicContact CD2-CE1 3.85Å; L35-F57 HydrophobicContact CG-CE1 4.37Å; V40-F57 HydrophobicContact CB-CD1 4.35Å; V40-F57 HydrophobicContact CG1-CD1 3.87Å; V40-F57 HydrophobicContact CG1-CE1 4.16Å; V40-F57 HydrophobicContact CG1-CG 4.37Å; V40-F57 HydrophobicContact CG2-CD1 3.91Å; V40-F57 HydrophobicContact CG2-CE1 4.37Å; C53-F57 WeakPolarHBondContact O-CB 3.38Å; C53-F57 WeakPolarHBondContact O-CD2 3.44Å; C53-F57 PolarHBondContact O-N 2.97Å; K55-F57 PolarHBondContact O-N 2.91Å; F57-A60 WeakPolarHBondContact O-CB 3.46Å; F57-A60 PolarHBondContact O-N 3.38Å; F57-G61 PolarHBondContact O-N 2.91Å; F57-A62 HydrophobicContact CB-CB 4.14Å; F57-A62 WeakPolarHBondContact O-CB 3.25Å; F57-A62 PolarHBondContact O-N 3.46Å; F57-A62 VanDerWaalsContact O-N 3.08Å; F57-L64 HydrophobicContact CB-CD2 3.97Å; F57-I123 HydrophobicContact CD2-CD1 4.31Å; F57-I123 HydrophobicContact CE1-CD1 4.15Å; F57-I123 HydrophobicContact CE2-CD1 3.77Å; F57-I123 HydrophobicContact CZ-CD1 3.67Å; F57-V259 HydrophobicContact CE2-CG1 4.4Å; F57-F260 HydrophobicContact CD1-CD2 4.16Å; F57-F260 HydrophobicContact CD2-CB 4.48Å; F57-F260 AromaticContact CD2-CD2 3.98Å; F57-F260 HydrophobicContact CD2-CD2 3.98Å; F57-F260 HydrophobicContact CE1-CD2 4.19Å; F57-F260 HydrophobicContact CE2-CB 3.98Å; F57-F260 AromaticContact CE2-CD2 4Å; F57-F260 HydrophobicContact CE2-CD2 4Å; F57-F260 HydrophobicContact CE2-CG 4.5Å; F57-F260 HydrophobicContact CG-CD2 4.09Å; F57-F260 HydrophobicContact CZ-CB 4.4Å; F57-F260 HydrophobicContact CZ-CD2 4.12Å; F57-V263 HydrophobicContact CE1-CG1 4.37Å; F57-V263 HydrophobicContact CZ-CB 4.21Å; F57-V263 HydrophobicContact CZ-CG1 4.36Å; F57-V263 HydrophobicContact CZ-CG2 4.2Å
58	H	96.6	Very high	97.2	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-48	173.5	-177	-99.3	0	0	0	111.5	A54 K55 A60 G61 L64 L81 H90	A54-H58 WeakPolarHBondContact O-CB 3.39Å; A54-H58 PolarHBondContact O-N 2.92Å; K55-H58 PolarHBondContact O-N 3.44Å; H58-A60 PolarHBondContact O-N 3.32Å; H58-G61 WeakPolarHBondContact O-CA 3.46Å; H58-G61 PolarHBondContact O-N 3.47Å; H58-L64 HydrophobicContact CB-CD1 3.7Å; H58-L64 HydrophobicContact CB-CG 4.5Å; H58-L81 HydrophobicContact CB-CD1 4.3Å; H58-L81 HydrophobicContact CB-CD2 4Å; H58-L81 VanDerWaalsContact CE1-C 3.46Å; H58-L81 PolarHBondContact CE1-O 3.43Å; H58-H90 PolarHBondContact NE2-O 2.54Å
59	A	94.2	Very high	97.2	Very high	68 Å²	68	24.9 Å²	24.9	56%	0.562	12%	0.123	S	C	*	.	H	α-helix	trans	-63.4	-21.3	178.1	0	0	0	0	0	113.3	K55 G61	K55-A59 WeakPolarHBondContact O-CB 3.38Å; K55-A59 PolarHBondContact O-N 3.4Å; A59-G61 VanDerWaalsContact C-N 3.29Å
60	A	93.3	Very high	97	Very high	8 Å²	8	28.4 Å²	28.4	7%	0.066	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.8	172.3	0	0	0	0	0	113.8	V56 F57 H58 F260	V56-A60 PolarHBondContact O-N 2.85Å; F57-A60 WeakPolarHBondContact O-CB 3.46Å; F57-A60 PolarHBondContact O-N 3.38Å; H58-A60 PolarHBondContact O-N 3.32Å; A60-F260 HydrophobicContact CB-CD2 4.46Å; A60-F260 HydrophobicContact CB-CE2 3.33Å; A60-F260 HydrophobicContact CB-CZ 3.55Å
61	G	94.9	Very high	97	Very high	4 Å²	4	31.5 Å²	31.5	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	19.9	-178.2	0	0	0	0	0	113.9	N37 F57 H58 A59 H90	N37-G61 WeakPolarHBondContact CA-O 3.39Å; N37-G61 PolarHBondContact N-O 3.07Å; F57-G61 PolarHBondContact O-N 2.91Å; H58-G61 WeakPolarHBondContact O-CA 3.46Å; H58-G61 PolarHBondContact O-N 3.47Å; A59-G61 VanDerWaalsContact C-N 3.29Å; G61-H90 PolarHBondContact O-CD2 2.82Å
62	A	97.1	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.			trans	-70.7	150.3	173.7	0	0	0	0	0	111.3	V40 F57 L64	V40-A62 HydrophobicContact CG2-CB 3.88Å; F57-A62 HydrophobicContact CB-CB 4.14Å; F57-A62 WeakPolarHBondContact O-CB 3.25Å; F57-A62 PolarHBondContact O-N 3.46Å; F57-A62 VanDerWaalsContact O-N 3.08Å; A62-L64 HydrophobicContact CB-CD2 4.02Å
63	K	97.9	Very high	96.9	Very high	48 Å²	48	34 Å²	34	21%	0.209	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.7	171.4	-70.2	174.4	-179.4	179.8	0	108.4	A38 V39 V40 H90 F116	A38-K63 PolarHBondContact O-N 2.74Å; V39-K63 CarbonylContact C-O 3.6Å; V39-K63 WeakPolarHBondContact CA-O 3.27Å; V39-K63 HydrophobicContact CG2-CB 4.2Å; V39-K63 HydrophobicContact CG2-CD 4.17Å; V40-K63 PolarHBondContact N-O 3.07Å; K63-H90 HydrophobicContact CG-CB 4Å; K63-F116 HydrophobicContact CB-CD1 4.45Å; K63-F116 HydrophobicContact CB-CD2 4.22Å; K63-F116 HydrophobicContact CB-CE1 4.05Å; K63-F116 HydrophobicContact CB-CE2 3.78Å; K63-F116 HydrophobicContact CB-CZ 3.7Å; K63-F116 HydrophobicContact CD-CD1 3.93Å; K63-F116 HydrophobicContact CD-CE1 3.91Å; K63-F116 HydrophobicContact CD-CG 4.45Å; K63-F116 HydrophobicContact CD-CZ 4.41Å; K63-F116 HydrophobicContact CG-CE1 4.13Å; K63-F116 HydrophobicContact CG-CZ 4.2Å
64	L	98.6	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.2	-170.5	-62.3	-170.3	0	0	0	113.2	V40 A54 F57 H58 A62 L66 L81 P92 F93	V40-L64 HydrophobicContact CB-CD2 3.81Å; V40-L64 HydrophobicContact CG1-CD2 4.3Å; V40-L64 WeakPolarHBondContact O-CA 3.27Å; A54-L64 HydrophobicContact CB-CD1 4.19Å; A54-L64 VanDerWaalsContact O-CD1 3.24Å; A54-L64 WeakPolarHBondContact O-CD1 3.39Å; F57-L64 HydrophobicContact CB-CD2 3.97Å; H58-L64 HydrophobicContact CB-CD1 3.7Å; H58-L64 HydrophobicContact CB-CG 4.5Å; A62-L64 HydrophobicContact CB-CD2 4.02Å; L64-L66 HydrophobicContact CB-CD2 4.11Å; L64-L66 HydrophobicContact CD1-CD2 4.04Å; L64-L81 HydrophobicContact CD1-CD1 4.03Å; L64-P92 HydrophobicContact CB-CB 4.05Å; L64-P92 HydrophobicContact CB-CG 4.43Å; L64-P92 WeakPolarHBondContact O-CA 3.26Å; L64-F93 PolarHBondContact O-N 3.44Å
65	V	98.8	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111.7	160.2	-172.3	0	0	0	0	107.5	V39 V40 V41 V42 F93 V95 I112 C115 F116	V39-V65 HydrophobicContact CG1-CG2 4.41Å; V40-V65 PolarHBondContact O-N 2.98Å; V41-V65 WeakPolarHBondContact CA-O 3.42Å; V41-V65 HydrophobicContact CG2-CB 4.08Å; V41-V65 HydrophobicContact CG2-CG2 4.35Å; V42-V65 PolarHBondContact N-O 3.07Å; V65-F93 HydrophobicContact CG1-CB 4.49Å; V65-F93 HydrophobicContact CG2-CB 4.49Å; V65-V95 HydrophobicContact CG1-CB 4.27Å; V65-V95 HydrophobicContact CG1-CG2 3.66Å; V65-I112 HydrophobicContact CG1-CG1 4.1Å; V65-C115 HydrophobicContact CG2-CB 3.91Å; V65-F116 HydrophobicContact CG2-CD2 3.97Å; V65-F116 HydrophobicContact CG2-CE2 4.06Å
66	L	98.8	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.8	-175.9	-54.7	177.4	0	0	0	109.3	A45 A54 L64 L74 L77 L81 P92 F93 V94 V95	A45-L66 HydrophobicContact CB-CB 4.07Å; A45-L66 HydrophobicContact CB-CD2 4.12Å; A54-L66 HydrophobicContact CB-CD2 3.72Å; L64-L66 HydrophobicContact CB-CD2 4.11Å; L64-L66 HydrophobicContact CD1-CD2 4.04Å; L66-L74 HydrophobicContact CB-CD2 3.82Å; L66-L77 HydrophobicContact CD1-CB 4.47Å; L66-L77 HydrophobicContact CD1-CD2 4.14Å; L66-L77 HydrophobicContact CD1-CG 4.09Å; L66-L81 HydrophobicContact CD1-CD1 4.22Å; L66-L81 HydrophobicContact CD2-CD1 4.49Å; L66-P92 HydrophobicContact CD1-CB 3.78Å; L66-P92 HydrophobicContact CD1-CG 4.41Å; L66-P92 HydrophobicContact CG-CB 3.99Å; L66-F93 PolarHBondContact N-O 3.16Å; L66-V94 WeakPolarHBondContact O-CA 3.45Å; L66-V95 PolarHBondContact O-N 3.14Å
67	C	98.5	Very high	96.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.4	-174.7	-60.7	0	0	0	0	112.8	V42 T43 G44 A45 V95 F97	V42-C67 WeakPolarHBondContact O-CB 3.46Å; V42-C67 PolarHBondContact O-N 3.33Å; T43-C67 HydrophobicContact CG2-CB 4.31Å; G44-C67 PolarHBondContact N-O 2.9Å; A45-C67 PolarHBondContact N-O 2.82Å; A45-C67 VanDerWaalsContact N-O 3.12Å; C67-V95 WeakPolarHBondContact CA-O 3.35Å; C67-F97 HydrophobicContact CB-CE1 3.6Å; C67-F97 HydrophobicContact CB-CZ 4.2Å
68	G	96.3	Very high	96.9	Very high	12 Å²	12	40.6 Å²	40.6	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-172.2	175.9	0	0	0	0	0	112.4	V95 T96 F97	G68-V95 PolarHBondContact N-O 2.73Å; G68-T96 VanDerWaalsContact O-CA 3.26Å; G68-T96 WeakPolarHBondContact O-CA 3.34Å; G68-F97 CarbonylContact C-O 3.02Å; G68-F97 PolarHBondContact O-N 3.28Å; G68-F97 VanDerWaalsContact O-N 3.15Å
69	R	94.9	Very high	96.9	Very high	174 Å²	174	48.2 Å²	48.2	66%	0.657	24%	0.237	S	C	*	.	S	Bend	trans	-94	-21.9	-175	-60.2	173.6	-60.3	173.6	2.2	114.2	F97 D98	R69-F97 WeakPolarHBondContact CG-O 3.28Å; R69-D98 WeakPolarHBondContact CD-OD2 3.32Å; R69-D98 HydrophobicContact CG-CB 4.12Å; R69-D98 IonicContact NH1-OD2 3.77Å
70	N	95.6	Very high	96.9	Very high	85 Å²	85	48.7 Å²	48.7	46%	0.455	23%	0.228	S	C	.	.			trans	-105.2	99.6	-173.9	-176.6	-22.5	0	0	0	109.4	K72 A73 L74	N70-K72 VanDerWaalsContact C-N 3.33Å; N70-K72 PolarHBondContact O-N 2.89Å; N70-K72 PolarHBondContact OD1-N 2.88Å; N70-K72 VanDerWaalsContact OD1-N 3.14Å; N70-A73 HydrophobicContact CB-CB 4.04Å; N70-A73 PolarHBondContact O-N 3.28Å; N70-A73 PolarHBondContact OD1-N 2.88Å; N70-A73 VanDerWaalsContact OD1-N 3.08Å; N70-L74 WeakPolarHBondContact O-CG 3.18Å; N70-L74 PolarHBondContact O-N 2.86Å; N70-L74 VanDerWaalsContact O-N 3.08Å
71	V	96.6	Very high	97	Very high	66 Å²	66	48.5 Å²	48.5	40%	0.4	23%	0.226	S	C	.	.	H	α-helix	trans	-54.9	-46.4	179.8	67.2	0	0	0	0	112.1	A73 L74 E75 T96	V71-A73 PolarHBondContact O-N 3.28Å; V71-L74 WeakPolarHBondContact O-CB 3.22Å; V71-L74 PolarHBondContact O-N 3.32Å; V71-L74 VanDerWaalsContact O-N 3.11Å; V71-E75 HydrophobicContact CG2-CG 4.37Å; V71-E75 WeakPolarHBondContact O-CG 3.01Å; V71-E75 PolarHBondContact O-N 2.88Å; V71-T96 HydrophobicContact CB-CG2 3.83Å; V71-T96 HydrophobicContact CG2-CG2 4.06Å
72	K	97.5	Very high	96.8	Very high	146 Å²	146	49.8 Å²	49.8	64%	0.635	24%	0.236	S	C	*	.	H	α-helix	trans	-61.1	-46.1	-177.9	-64.4	-176.3	177.9	-178	0	111.6	N70 L74 E75 E76	N70-K72 VanDerWaalsContact C-N 3.33Å; N70-K72 PolarHBondContact O-N 2.89Å; N70-K72 PolarHBondContact OD1-N 2.88Å; N70-K72 VanDerWaalsContact OD1-N 3.14Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 3.09Å; K72-E75 PolarHBondContact O-N 3.49Å; K72-E76 WeakPolarHBondContact O-CB 3.49Å; K72-E76 VanDerWaalsContact O-CG 3.27Å; K72-E76 WeakPolarHBondContact O-CG 3.4Å; K72-E76 PolarHBondContact O-N 3.41Å
73	A	97.5	Very high	96.4	Very high	23 Å²	23	53.2 Å²	53.2	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-30.6	178.6	0	0	0	0	0	112.7	T46 N70 V71 L77	T46-A73 HydrophobicContact CG2-CB 3.74Å; N70-A73 HydrophobicContact CB-CB 4.04Å; N70-A73 PolarHBondContact O-N 3.28Å; N70-A73 PolarHBondContact OD1-N 2.88Å; N70-A73 VanDerWaalsContact OD1-N 3.08Å; V71-A73 PolarHBondContact O-N 3.28Å; A73-L77 WeakPolarHBondContact O-CB 3.22Å; A73-L77 PolarHBondContact O-N 3.26Å; A73-L77 VanDerWaalsContact O-N 3.12Å
74	L	98	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71.4	-43.9	174.2	-70.9	164.5	0	0	0	111.4	A45 T46 L66 N70 V71 K72 L77 S78 V94 T96	A45-L74 HydrophobicContact CB-CD2 4.04Å; T46-L74 HydrophobicContact CG2-CB 4.33Å; T46-L74 HydrophobicContact CG2-CD2 3.41Å; T46-L74 VanDerWaalsContact CG2-CD2 3.41Å; T46-L74 HydrophobicContact CG2-CG 3.5Å; T46-L74 VanDerWaalsContact CG2-CG 3.5Å; L66-L74 HydrophobicContact CB-CD2 3.82Å; N70-L74 WeakPolarHBondContact O-CG 3.18Å; N70-L74 PolarHBondContact O-N 2.86Å; N70-L74 VanDerWaalsContact O-N 3.08Å; V71-L74 WeakPolarHBondContact O-CB 3.22Å; V71-L74 PolarHBondContact O-N 3.32Å; V71-L74 VanDerWaalsContact O-N 3.11Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 3.09Å; L74-L77 PolarHBondContact O-N 3.3Å; L74-S78 WeakPolarHBondContact O-CB 3.48Å; L74-S78 PolarHBondContact O-N 2.9Å; L74-V94 HydrophobicContact CB-CB 4.33Å; L74-V94 HydrophobicContact CB-CG1 3.48Å; L74-V94 VanDerWaalsContact CB-CG1 3.48Å; L74-V94 HydrophobicContact CB-CG2 3.9Å; L74-V94 HydrophobicContact CD1-CG1 3.73Å; L74-V94 HydrophobicContact CG-CG1 4.18Å; L74-T96 HydrophobicContact CD1-CG2 3.82Å
75	E	97.7	Very high	94	Very high	93 Å²	93	57 Å²	57	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-64.4	-40.3	176	-71	174.3	168.1	0	0	112.1	V71 K72 S78 R79	V71-E75 HydrophobicContact CG2-CG 4.37Å; V71-E75 WeakPolarHBondContact O-CG 3.01Å; V71-E75 PolarHBondContact O-N 2.88Å; K72-E75 PolarHBondContact O-N 3.49Å; E75-S78 PolarHBondContact O-N 3.37Å; E75-R79 WeakPolarHBondContact O-CG 3.3Å; E75-R79 PolarHBondContact O-N 3.44Å
76	E	97.5	Very high	92.4	Very high	111 Å²	111	66 Å²	66	52%	0.519	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-49.6	171.8	-77	168.6	-171.2	0	0	111.5	K72 S78 R79 E80	K72-E76 WeakPolarHBondContact O-CB 3.49Å; K72-E76 VanDerWaalsContact O-CG 3.27Å; K72-E76 WeakPolarHBondContact O-CG 3.4Å; K72-E76 PolarHBondContact O-N 3.41Å; E76-S78 VanDerWaalsContact C-N 3.33Å; E76-S78 PolarHBondContact O-N 3.24Å; E76-R79 PolarHBondContact O-N 2.81Å; E76-E80 WeakPolarHBondContact O-CB 3.22Å; E76-E80 PolarHBondContact O-N 3.05Å
77	L	97.6	Very high	91.1	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-41.3	176	179.4	60	0	0	0	111.7	A45 R51 A54 L66 A73 L74 R79 E80 L81	A45-L77 HydrophobicContact CB-CD2 4.33Å; A45-L77 WeakPolarHBondContact O-CD2 3.4Å; R51-L77 HydrophobicContact CG-CD1 3.9Å; R51-L77 HydrophobicContact CG-CD2 4.22Å; A54-L77 HydrophobicContact CB-CD2 4.2Å; L66-L77 HydrophobicContact CD1-CB 4.47Å; L66-L77 HydrophobicContact CD1-CD2 4.14Å; L66-L77 HydrophobicContact CD1-CG 4.09Å; A73-L77 WeakPolarHBondContact O-CB 3.22Å; A73-L77 PolarHBondContact O-N 3.26Å; A73-L77 VanDerWaalsContact O-N 3.12Å; L74-L77 PolarHBondContact O-N 3.3Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.4Å; L77-E80 PolarHBondContact O-N 3.03Å; L77-L81 HydrophobicContact CD1-CD1 4.18Å; L77-L81 HydrophobicContact CD1-CD2 4.45Å; L77-L81 HydrophobicContact CD1-CG 4.03Å; L77-L81 HydrophobicContact CG-CD1 4.07Å; L77-L81 HydrophobicContact CG-CG 4.35Å; L77-L81 WeakPolarHBondContact O-CB 3.38Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.45Å
78	S	97.1	Very high	90.3	Very high	7 Å²	7	76.1 Å²	76.1	5%	0.049	41%	0.411	C	S	.	.	H	α-helix	trans	-60.1	-41.6	177.5	-172.9	0	0	0	0	111.8	L74 E75 E76 A82 Q91 P92	L74-S78 WeakPolarHBondContact O-CB 3.48Å; L74-S78 PolarHBondContact O-N 2.9Å; E75-S78 PolarHBondContact O-N 3.37Å; E76-S78 VanDerWaalsContact C-N 3.33Å; E76-S78 PolarHBondContact O-N 3.24Å; S78-A82 WeakPolarHBondContact O-CB 3.25Å; S78-A82 PolarHBondContact O-N 2.65Å; S78-A82 VanDerWaalsContact O-N 3.09Å; S78-Q91 PolarHBondContact OG-NE2 3.05Å; S78-P92 PolarHBondContact OG-O 2.84Å
79	R	95.8	Very high	90	Very high	162 Å²	162	77.3 Å²	77.3	61%	0.611	42%	0.416	S	S	*	.	H	α-helix	trans	-69	-42.7	176.1	-73.3	-177.1	-66.9	-162.1	0.8	112.2	E75 E76 L77 L81 A82 G83	E75-R79 WeakPolarHBondContact O-CG 3.3Å; E75-R79 PolarHBondContact O-N 3.44Å; E76-R79 PolarHBondContact O-N 2.81Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.4Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.88Å; R79-A82 PolarHBondContact O-N 3.36Å; R79-G83 PolarHBondContact O-N 3.14Å
80	E	95.6	Very high	89.9	Confident	79 Å²	79	71.2 Å²	71.2	37%	0.369	39%	0.394	S	S	.	.	H	α-helix	trans	-55.7	-49	174.7	180	-171.4	162.5	0	0	110.8	R51 K55 E76 L77 G83 S84	R51-E80 IonicContact CZ-OE1 2.79Å; R51-E80 IonicContact CZ-OE2 2.69Å; R51-E80 IonicContact NE-OE2 3.55Å; R51-E80 VanDerWaalsContact NH2-CD 3.26Å; R51-E80 IonicContact NH2-OE1 3.03Å; R51-E80 PolarHBondContact NH2-OE1 3.42Å; R51-E80 IonicContact NH2-OE2 2.7Å; R51-E80 PolarHBondContact NH2-OE2 2.76Å; K55-E80 WeakPolarHBondContact CE-OE1 3.45Å; K55-E80 IonicContact NZ-OE1 3.2Å; E76-E80 WeakPolarHBondContact O-CB 3.22Å; E76-E80 PolarHBondContact O-N 3.05Å; L77-E80 PolarHBondContact O-N 3.03Å; E80-G83 PolarHBondContact O-N 3.37Å; E80-S84 WeakPolarHBondContact O-CB 3.29Å; E80-S84 PolarHBondContact O-N 3.46Å; E80-S84 VanDerWaalsContact O-N 3.16Å; E80-S84 PolarHBondContact O-OG 2.99Å
81	L	95.3	Very high	89.8	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-63	-48.9	-179.9	-68.9	177	0	0	0	111.3	A54 K55 H58 L64 L66 L77 R79 G83 S84 P92	A54-L81 HydrophobicContact CB-CD1 4.22Å; K55-L81 HydrophobicContact CB-CD2 4.24Å; K55-L81 HydrophobicContact CG-CD2 3.71Å; H58-L81 HydrophobicContact CB-CD1 4.3Å; H58-L81 HydrophobicContact CB-CD2 4Å; H58-L81 VanDerWaalsContact CE1-C 3.46Å; H58-L81 PolarHBondContact CE1-O 3.43Å; L64-L81 HydrophobicContact CD1-CD1 4.03Å; L66-L81 HydrophobicContact CD1-CD1 4.22Å; L66-L81 HydrophobicContact CD2-CD1 4.49Å; L77-L81 HydrophobicContact CD1-CD1 4.18Å; L77-L81 HydrophobicContact CD1-CD2 4.45Å; L77-L81 HydrophobicContact CD1-CG 4.03Å; L77-L81 HydrophobicContact CG-CD1 4.07Å; L77-L81 HydrophobicContact CG-CG 4.35Å; L77-L81 WeakPolarHBondContact O-CB 3.38Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.45Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.88Å; L81-G83 VanDerWaalsContact C-N 3.28Å; L81-G83 PolarHBondContact O-N 2.9Å; L81-S84 PolarHBondContact O-N 2.95Å; L81-S84 VanDerWaalsContact O-N 3.13Å; L81-S84 PolarHBondContact O-OG 2.93Å; L81-P92 HydrophobicContact CB-CG 4.16Å; L81-P92 HydrophobicContact CD1-CG 4.11Å
82	A	91.1	Very high	89.9	Confident	31 Å²	31	69.7 Å²	69.7	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-36.5	178.6	0	0	0	0	0	113.1	S78 R79 S85	S78-A82 WeakPolarHBondContact O-CB 3.25Å; S78-A82 PolarHBondContact O-N 2.65Å; S78-A82 VanDerWaalsContact O-N 3.09Å; R79-A82 PolarHBondContact O-N 3.36Å; A82-S85 PolarHBondContact O-OG 2.65Å
83	G	87.4	Confident	89.9	Confident	72 Å²	72	67.2 Å²	67.2	74%	0.742	37%	0.37	S	S	*	.	H	α-helix	trans	-75.3	-21.2	177.9	0	0	0	0	0	114.9	R79 E80 L81 S85	R79-G83 PolarHBondContact O-N 3.14Å; E80-G83 PolarHBondContact O-N 3.37Å; L81-G83 VanDerWaalsContact C-N 3.28Å; L81-G83 PolarHBondContact O-N 2.9Å; G83-S85 VanDerWaalsContact C-N 3.29Å; G83-S85 PolarHBondContact O-N 3.37Å
84	S	79.6	Confident	90	Very high	73 Å²	73	67.8 Å²	67.8	51%	0.51	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	9.7	-175.6	69.5	0	0	0	0	115	E80 L81 Q86	E80-S84 WeakPolarHBondContact O-CB 3.29Å; E80-S84 PolarHBondContact O-N 3.46Å; E80-S84 VanDerWaalsContact O-N 3.16Å; E80-S84 PolarHBondContact O-OG 2.99Å; L81-S84 PolarHBondContact O-N 2.95Å; L81-S84 VanDerWaalsContact O-N 3.13Å; L81-S84 PolarHBondContact O-OG 2.93Å; S84-Q86 PolarHBondContact O-N 3.15Å; S84-Q86 VanDerWaalsContact O-N 3.09Å
85	S	66.8	Low	90	Very high	56 Å²	56	67.8 Å²	67.8	39%	0.392	37%	0.371	S	S	.	.			trans	-64.7	105.5	-163.9	-59.1	0	0	0	0	114.1	A82 G83 T89	A82-S85 PolarHBondContact O-OG 2.65Å; G83-S85 VanDerWaalsContact C-N 3.29Å; G83-S85 PolarHBondContact O-N 3.37Å; S85-T89 WeakPolarHBondContact CB-OG1 3.45Å; S85-T89 PolarHBondContact OG-OG1 2.76Å
86	Q	64.9	Low	90	Very high	188 Å²	188	66.3 Å²	66.3	88%	0.879	37%	0.369	S	S	*	.	S	Bend	trans	-106.2	102.5	158.6	-69.4	-171.5	-7.3	0	0	109	S84	S84-Q86 PolarHBondContact O-N 3.15Å; S84-Q86 VanDerWaalsContact O-N 3.09Å
87	G	71.6	Confident	89.9	Confident	66 Å²	66	61.9 Å²	61.9	68%	0.68	35%	0.348	S	S	*	.	S	Bend	trans	103.5	-164.5	-179.5	0	0	0	0	0	114.1	T89	G87-T89 PolarHBondContact O-N 2.88Å
88	Q	82.2	Confident	89.7	Confident	148 Å²	148	64.3 Å²	64.3	69%	0.692	36%	0.361	S	S	*	.	S	Bend	trans	-81.4	98.7	-177.9	-169.7	173.9	34.5	0	0	110.5
89	T	89.8	Confident	89.4	Confident	36 Å²	36	64.6 Å²	64.6	22%	0.221	36%	0.362	C	S	.	.			trans	-112.9	169.1	177.1	54.5	0	0	0	0	111.2	S85 G87	S85-T89 WeakPolarHBondContact CB-OG1 3.45Å; S85-T89 PolarHBondContact OG-OG1 2.76Å; G87-T89 PolarHBondContact O-N 2.88Å
90	H	92.8	Very high	89.2	Confident	46 Å²	46	58.7 Å²	58.7	21%	0.213	35%	0.348	C	S	.	.			trans	-127.9	143.1	-179.5	-58.4	-90.6	0	0	0	109.8	N37 H58 G61 K63 P92	N37-H90 PolarHBondContact OD1-NE2 2.78Å; H58-H90 PolarHBondContact NE2-O 2.54Å; G61-H90 PolarHBondContact O-CD2 2.82Å; K63-H90 HydrophobicContact CG-CB 4Å; H90-P92 VanDerWaalsContact O-CD 3.29Å; H90-P92 WeakPolarHBondContact O-CD 3.22Å
91	Q	94.4	Very high	89	Confident	114 Å²	114	58.7 Å²	58.7	53%	0.533	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-59	123.9	172.9	-178	63.1	36.5	0	0	109.8	S78	S78-Q91 PolarHBondContact OG-NE2 3.05Å
92	P	97.3	Very high	88.4	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.039	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67.5	145.3	174.2	-21.5	34.1	0	0	0	112.2	L64 L66 S78 L81 H90	L64-P92 HydrophobicContact CB-CB 4.05Å; L64-P92 HydrophobicContact CB-CG 4.43Å; L64-P92 WeakPolarHBondContact O-CA 3.26Å; L66-P92 HydrophobicContact CD1-CB 3.78Å; L66-P92 HydrophobicContact CD1-CG 4.41Å; L66-P92 HydrophobicContact CG-CB 3.99Å; S78-P92 PolarHBondContact OG-O 2.84Å; L81-P92 HydrophobicContact CB-CG 4.16Å; L81-P92 HydrophobicContact CD1-CG 4.11Å; H90-P92 VanDerWaalsContact O-CD 3.29Å; H90-P92 WeakPolarHBondContact O-CD 3.22Å
93	F	98.3	Very high	88.3	Confident	93 Å²	93	63.8 Å²	63.8	41%	0.408	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	156.1	162.3	-75.6	-80	0	0	0	110.7	L64 V65 L66 C115 F116	L64-F93 PolarHBondContact O-N 3.44Å; V65-F93 HydrophobicContact CG1-CB 4.49Å; V65-F93 HydrophobicContact CG2-CB 4.49Å; L66-F93 PolarHBondContact N-O 3.16Å; F93-C115 HydrophobicContact CB-CB 4.07Å; F93-C115 HydrophobicContact CD1-CB 4.46Å; F93-C115 HydrophobicContact CD2-CB 3.64Å; F93-C115 HydrophobicContact CE2-CB 4.13Å; F93-C115 VanDerWaalsContact CE2-O 3.23Å; F93-C115 WeakPolarHBondContact CE2-O 3.4Å; F93-C115 HydrophobicContact CG-CB 3.81Å; F93-F116 HydrophobicContact CD2-CD2 4.09Å; F93-F116 HydrophobicContact CD2-CE1 4.05Å; F93-F116 AromaticContact CD2-CE2 3.46Å; F93-F116 HydrophobicContact CD2-CE2 3.46Å; F93-F116 VanDerWaalsContact CD2-CE2 3.46Å; F93-F116 AromaticContact CD2-CZ 3.43Å; F93-F116 HydrophobicContact CD2-CZ 3.43Å; F93-F116 VanDerWaalsContact CD2-CZ 3.43Å; F93-F116 HydrophobicContact CE2-CD1 4.16Å; F93-F116 HydrophobicContact CE2-CD2 4.4Å; F93-F116 AromaticContact CE2-CE1 3.66Å; F93-F116 HydrophobicContact CE2-CE1 3.66Å; F93-F116 AromaticContact CE2-CE2 3.94Å; F93-F116 HydrophobicContact CE2-CE2 3.94Å; F93-F116 AromaticContact CE2-CZ 3.53Å; F93-F116 HydrophobicContact CE2-CZ 3.53Å
94	V	98.4	Very high	88.6	Confident	35 Å²	35	62.5 Å²	62.5	21%	0.212	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.5	176.5	170.6	0	0	0	0	108.1	L66 L74 T96	L66-V94 WeakPolarHBondContact O-CA 3.45Å; L74-V94 HydrophobicContact CB-CB 4.33Å; L74-V94 HydrophobicContact CB-CG1 3.48Å; L74-V94 VanDerWaalsContact CB-CG1 3.48Å; L74-V94 HydrophobicContact CB-CG2 3.9Å; L74-V94 HydrophobicContact CD1-CG1 3.73Å; L74-V94 HydrophobicContact CG-CG1 4.18Å; V94-T96 HydrophobicContact CG1-CG2 4.2Å
95	V	98.3	Very high	89.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.9	173.2	175.7	0	0	0	0	109	V65 L66 C67 G68 F97 A108 E111 I112	V65-V95 HydrophobicContact CG1-CB 4.27Å; V65-V95 HydrophobicContact CG1-CG2 3.66Å; L66-V95 PolarHBondContact O-N 3.14Å; C67-V95 WeakPolarHBondContact CA-O 3.35Å; G68-V95 PolarHBondContact N-O 2.73Å; V95-F97 HydrophobicContact CG1-CD1 4.16Å; V95-F97 HydrophobicContact CG1-CE1 4.49Å; V95-A108 HydrophobicContact CG1-CB 4.32Å; V95-E111 HydrophobicContact CG1-CB 4.23Å; V95-E111 HydrophobicContact CG1-CG 4.2Å; V95-E111 HydrophobicContact CG2-CB 4.48Å; V95-E111 HydrophobicContact CG2-CG 3.93Å; V95-I112 HydrophobicContact CB-CG1 4.19Å; V95-I112 HydrophobicContact CG1-CG1 4.05Å; V95-I112 HydrophobicContact CG2-CG1 4.05Å
96	T	97.5	Very high	90.7	Very high	63 Å²	63	59.9 Å²	59.9	39%	0.387	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.9	-173.4	55.3	0	0	0	0	112.7	G68 V71 L74 V94	G68-T96 VanDerWaalsContact O-CA 3.26Å; G68-T96 WeakPolarHBondContact O-CA 3.34Å; V71-T96 HydrophobicContact CB-CG2 3.83Å; V71-T96 HydrophobicContact CG2-CG2 4.06Å; L74-T96 HydrophobicContact CD1-CG2 3.82Å; V94-T96 HydrophobicContact CG1-CG2 4.2Å
97	F	96.4	Very high	92.2	Very high	18 Å²	18	54.1 Å²	54.1	8%	0.079	34%	0.341	C	S	.	.			trans	-161.2	165	174.2	64.9	-78.2	0	0	0	110.8	T43 C67 G68 R69 V95 L99 A108 I112 L156	T43-F97 HydrophobicContact CG2-CZ 4.32Å; C67-F97 HydrophobicContact CB-CE1 3.6Å; C67-F97 HydrophobicContact CB-CZ 4.2Å; G68-F97 CarbonylContact C-O 3.02Å; G68-F97 PolarHBondContact O-N 3.28Å; G68-F97 VanDerWaalsContact O-N 3.15Å; R69-F97 WeakPolarHBondContact CG-O 3.28Å; V95-F97 HydrophobicContact CG1-CD1 4.16Å; V95-F97 HydrophobicContact CG1-CE1 4.49Å; F97-L99 HydrophobicContact CD2-CG 4.39Å; F97-L99 HydrophobicContact CE2-CD2 3.63Å; F97-L99 HydrophobicContact CE2-CG 3.74Å; F97-L99 HydrophobicContact CZ-CD2 4.41Å; F97-A108 HydrophobicContact CB-CB 3.79Å; F97-A108 HydrophobicContact CD1-CB 3.57Å; F97-A108 HydrophobicContact CD2-CB 4.1Å; F97-A108 HydrophobicContact CE1-CB 4.08Å; F97-A108 HydrophobicContact CG-CB 3.57Å; F97-I112 HydrophobicContact CE1-CD1 4.32Å; F97-L156 HydrophobicContact CE2-CD2 4.4Å; F97-L156 HydrophobicContact CZ-CD1 4.31Å; F97-L156 HydrophobicContact CZ-CD2 3.91Å
98	D	94.3	Very high	93.4	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	31%	0.31	S	S	.	.			trans	-104.4	123.1	171.4	-159.7	-24.1	0	0	0	110.3	R69 A100 D101 T104	R69-D98 WeakPolarHBondContact CD-OD2 3.32Å; R69-D98 HydrophobicContact CG-CB 4.12Å; R69-D98 IonicContact NH1-OD2 3.77Å; D98-A100 PolarHBondContact O-N 2.86Å; D98-A100 WeakPolarHBondContact OD1-CB 3.29Å; D98-A100 PolarHBondContact OD1-N 2.8Å; D98-D101 HydrophobicContact CB-CB 4.38Å; D98-D101 PolarHBondContact O-N 3.5Å; D98-T104 PolarHBondContact O-OG1 3.39Å
99	L	90.6	Very high	94.2	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.7	174.5	-79.9	162.8	0	0	0	113	T43 F97 A126 G152 L156	T43-L99 HydrophobicContact CG2-CD1 4.46Å; F97-L99 HydrophobicContact CD2-CG 4.39Å; F97-L99 HydrophobicContact CE2-CD2 3.63Å; F97-L99 HydrophobicContact CE2-CG 3.74Å; F97-L99 HydrophobicContact CZ-CD2 4.41Å; L99-A126 HydrophobicContact CD1-CB 3.22Å; L99-G152 VanDerWaalsContact CD2-C 3.5Å; L99-G152 WeakPolarHBondContact O-CA 3.47Å; L99-L156 HydrophobicContact CD2-CB 4.46Å; L99-L156 HydrophobicContact CD2-CD2 4.49Å
100	A	91.1	Very high	94.6	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.1	171.7	0	0	0	0	0	113.3	D98 P102 I148	D98-A100 PolarHBondContact O-N 2.86Å; D98-A100 WeakPolarHBondContact OD1-CB 3.29Å; D98-A100 PolarHBondContact OD1-N 2.8Å; A100-P102 WeakPolarHBondContact O-CD 3.27Å; A100-I148 HydrophobicContact CB-CD1 4.27Å; A100-I148 HydrophobicContact CB-CG1 3.69Å
101	D	91.6	Very high	94.9	Very high	80 Å²	80	46.5 Å²	46.5	43%	0.428	30%	0.295	S	S	.	.			trans	-116.2	92.1	-179.5	-174.1	-7.3	0	0	0	110.7	D98 G103 T104	D98-D101 HydrophobicContact CB-CB 4.38Å; D98-D101 PolarHBondContact O-N 3.5Å; D101-G103 PolarHBondContact O-N 2.93Å; D101-G103 VanDerWaalsContact O-N 3.09Å; D101-G103 PolarHBondContact OD1-N 3.35Å; D101-T104 HydrophobicContact CB-CG2 4.14Å; D101-T104 PolarHBondContact O-N 2.92Å; D101-T104 PolarHBondContact O-OG1 3.41Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.5Å
102	P	82.5	Confident	95.1	Very high	74 Å²	74	41.1 Å²	41.1	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-55.2	-27.4	178.6	-25.8	34.4	0	0	0	114	A100 T104 I105	A100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-T104 PolarHBondContact O-N 3.08Å; P102-I105 PolarHBondContact O-N 3.41Å
103	G	88.4	Confident	95.1	Very high	66 Å²	66	42.8 Å²	42.8	68%	0.68	28%	0.278	S	S	*	.	H	α-helix	trans	-64.7	-25.9	179.7	0	0	0	0	0	113.2	D101	D101-G103 PolarHBondContact O-N 2.93Å; D101-G103 VanDerWaalsContact O-N 3.09Å; D101-G103 PolarHBondContact OD1-N 3.35Å
104	T	92.9	Very high	95.1	Very high	45 Å²	45	45.8 Å²	45.8	28%	0.276	29%	0.293	S	S	.	.	H	α-helix	trans	-88.7	-18.2	-179.1	66.9	0	0	0	0	113.5	D98 D101 P102 A106 A107 A108	D98-T104 PolarHBondContact O-OG1 3.39Å; D101-T104 HydrophobicContact CB-CG2 4.14Å; D101-T104 PolarHBondContact O-N 2.92Å; D101-T104 PolarHBondContact O-OG1 3.41Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.5Å; P102-T104 PolarHBondContact O-N 3.08Å; T104-A106 PolarHBondContact O-N 2.82Å; T104-A107 PolarHBondContact O-N 2.88Å; T104-A108 WeakPolarHBondContact O-CB 3.39Å; T104-A108 PolarHBondContact O-N 3.45Å
105	I	95.3	Very high	95.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-67.3	-38	-168.2	-66.9	-179.8	0	0	0	112.2	P102 A108 A109 A155 L156 A159	P102-I105 PolarHBondContact O-N 3.41Å; I105-A108 PolarHBondContact O-N 3.32Å; I105-A109 WeakPolarHBondContact O-CB 3.29Å; I105-A109 PolarHBondContact O-N 3.23Å; I105-A155 HydrophobicContact CD1-CB 3.54Å; I105-A155 HydrophobicContact CG2-CB 4.01Å; I105-L156 HydrophobicContact CG2-CB 4.08Å; I105-L156 HydrophobicContact CG2-CD1 4.36Å; I105-A159 HydrophobicContact CG2-CB 4.47Å
106	A	95.6	Very high	95.1	Very high	71 Å²	71	47.6 Å²	47.6	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-44.3	179	0	0	0	0	0	111.8	T104 A109 A110	T104-A106 PolarHBondContact O-N 2.82Å; A106-A109 PolarHBondContact O-N 2.93Å; A106-A110 PolarHBondContact O-N 2.8Å; A106-A110 VanDerWaalsContact O-N 3.08Å
107	A	97.1	Very high	95	Very high	67 Å²	67	47.1 Å²	47.1	55%	0.554	31%	0.309	S	S	*	.	H	α-helix	trans	-64.5	-44.4	176.1	0	0	0	0	0	111.3	T104 A109 A110 E111	T104-A107 PolarHBondContact O-N 2.88Å; A107-A109 VanDerWaalsContact C-N 3.34Å; A107-A109 PolarHBondContact O-N 2.9Å; A107-A110 WeakPolarHBondContact O-CB 3.49Å; A107-A110 PolarHBondContact O-N 2.93Å; A107-E111 PolarHBondContact O-N 3.39Å
108	A	97.8	Very high	95	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-40.1	176.5	0	0	0	0	0	112.4	V95 F97 T104 I105 E111 I112	V95-A108 HydrophobicContact CG1-CB 4.32Å; F97-A108 HydrophobicContact CB-CB 3.79Å; F97-A108 HydrophobicContact CD1-CB 3.57Å; F97-A108 HydrophobicContact CD2-CB 4.1Å; F97-A108 HydrophobicContact CE1-CB 4.08Å; F97-A108 HydrophobicContact CG-CB 3.57Å; T104-A108 WeakPolarHBondContact O-CB 3.39Å; T104-A108 PolarHBondContact O-N 3.45Å; I105-A108 PolarHBondContact O-N 3.32Å; A108-E111 PolarHBondContact O-N 3.08Å; A108-I112 WeakPolarHBondContact O-CB 3.37Å; A108-I112 WeakPolarHBondContact O-CD1 3.47Å; A108-I112 WeakPolarHBondContact O-CG1 3.3Å; A108-I112 PolarHBondContact O-N 3.42Å
109	A	98.3	Very high	95.3	Very high	4 Å²	4	47 Å²	47	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-39.8	176.1	0	0	0	0	0	112.1	I105 A106 A107 I112 L113 L156 A159 L160	I105-A109 WeakPolarHBondContact O-CB 3.29Å; I105-A109 PolarHBondContact O-N 3.23Å; A106-A109 PolarHBondContact O-N 2.93Å; A107-A109 VanDerWaalsContact C-N 3.34Å; A107-A109 PolarHBondContact O-N 2.9Å; A109-I112 PolarHBondContact O-N 2.99Å; A109-L113 WeakPolarHBondContact O-CG 3.49Å; A109-L113 PolarHBondContact O-N 3.5Å; A109-L156 HydrophobicContact CB-CD1 4.41Å; A109-A159 HydrophobicContact CB-CB 3.46Å; A109-A159 VanDerWaalsContact CB-CB 3.46Å; A109-L160 HydrophobicContact CB-CD2 3.92Å; A109-L160 HydrophobicContact CB-CG 4.22Å
110	A	98.1	Very high	95.6	Very high	48 Å²	48	47.1 Å²	47.1	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-44.5	174.1	0	0	0	0	0	111.6	A106 A107 L113 Q114	A106-A110 PolarHBondContact O-N 2.8Å; A106-A110 VanDerWaalsContact O-N 3.08Å; A107-A110 WeakPolarHBondContact O-CB 3.49Å; A107-A110 PolarHBondContact O-N 2.93Å; A110-L113 PolarHBondContact O-N 3.49Å; A110-Q114 WeakPolarHBondContact O-CG 3.39Å; A110-Q114 PolarHBondContact O-N 3.45Å
111	E	98.4	Very high	96	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-44.8	175.8	-169.1	-175.6	159.6	0	0	111.9	V95 A107 A108 L113 Q114 C115	V95-E111 HydrophobicContact CG1-CB 4.23Å; V95-E111 HydrophobicContact CG1-CG 4.2Å; V95-E111 HydrophobicContact CG2-CB 4.48Å; V95-E111 HydrophobicContact CG2-CG 3.93Å; A107-E111 PolarHBondContact O-N 3.39Å; A108-E111 PolarHBondContact O-N 3.08Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.39Å; E111-Q114 WeakPolarHBondContact O-CB 3.16Å; E111-Q114 PolarHBondContact O-N 3.21Å; E111-Q114 VanDerWaalsContact O-N 3.09Å; E111-C115 PolarHBondContact O-N 3.29Å; E111-C115 PolarHBondContact O-SG 2.82Å
112	I	98.6	Very high	96.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-45.1	175.1	-74.6	161.7	0	0	0	111.3	V41 V65 V95 F97 A108 A109 Q114 C115 V119 L156 L160	V41-I112 HydrophobicContact CG1-CD1 4.1Å; V41-I112 HydrophobicContact CG1-CG2 4.37Å; V41-I112 HydrophobicContact CG2-CG2 3.48Å; V41-I112 VanDerWaalsContact CG2-CG2 3.48Å; V65-I112 HydrophobicContact CG1-CG1 4.1Å; V95-I112 HydrophobicContact CB-CG1 4.19Å; V95-I112 HydrophobicContact CG1-CG1 4.05Å; V95-I112 HydrophobicContact CG2-CG1 4.05Å; F97-I112 HydrophobicContact CE1-CD1 4.32Å; A108-I112 WeakPolarHBondContact O-CB 3.37Å; A108-I112 WeakPolarHBondContact O-CD1 3.47Å; A108-I112 WeakPolarHBondContact O-CG1 3.3Å; A108-I112 PolarHBondContact O-N 3.42Å; A109-I112 PolarHBondContact O-N 2.99Å; I112-Q114 VanDerWaalsContact C-N 3.3Å; I112-Q114 PolarHBondContact O-N 3.37Å; I112-C115 WeakPolarHBondContact O-CB 3.29Å; I112-C115 PolarHBondContact O-N 3.31Å; I112-V119 HydrophobicContact CG2-CG2 3.62Å; I112-L156 HydrophobicContact CD1-CD1 4.01Å; I112-L160 HydrophobicContact CB-CD2 4.4Å; I112-L160 HydrophobicContact CG2-CD1 4.33Å; I112-L160 HydrophobicContact CG2-CD2 4Å
113	L	98.3	Very high	97.1	Very high	41 Å²	41	38 Å²	38	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-32.3	179	-72.2	168.4	0	0	0	111.8	A109 A110 E111 C115 G117 V119 L160	A109-L113 WeakPolarHBondContact O-CG 3.49Å; A109-L113 PolarHBondContact O-N 3.5Å; A110-L113 PolarHBondContact O-N 3.49Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.39Å; L113-C115 VanDerWaalsContact C-N 3.33Å; L113-C115 PolarHBondContact O-N 2.93Å; L113-G117 CarbonylContact O-C 3.21Å; L113-G117 WeakPolarHBondContact O-CA 3.33Å; L113-G117 PolarHBondContact O-N 2.87Å; L113-V119 HydrophobicContact CD2-CG2 4.23Å; L113-L160 HydrophobicContact CD1-CD2 4.17Å; L113-L160 HydrophobicContact CD2-CD2 4.1Å; L113-L160 HydrophobicContact CG-CD2 3.8Å
114	Q	98.1	Very high	97.6	Very high	157 Å²	157	35.2 Å²	35.2	73%	0.734	22%	0.216	S	C	*	.	H	α-helix	trans	-69.1	-27.2	177.2	-72.1	171.3	7.3	0	0	113.3	A110 E111 I112 F116	A110-Q114 WeakPolarHBondContact O-CG 3.39Å; A110-Q114 PolarHBondContact O-N 3.45Å; E111-Q114 WeakPolarHBondContact O-CB 3.16Å; E111-Q114 PolarHBondContact O-N 3.21Å; E111-Q114 VanDerWaalsContact O-N 3.09Å; I112-Q114 VanDerWaalsContact C-N 3.3Å; I112-Q114 PolarHBondContact O-N 3.37Å; Q114-F116 PolarHBondContact O-N 3.42Å
115	C	97.9	Very high	97.9	Very high	22 Å²	22	34.1 Å²	34.1	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-46.8	-178	-62.8	0	0	0	0	113.2	V65 F93 E111 I112 L113	V65-C115 HydrophobicContact CG2-CB 3.91Å; F93-C115 HydrophobicContact CB-CB 4.07Å; F93-C115 HydrophobicContact CD1-CB 4.46Å; F93-C115 HydrophobicContact CD2-CB 3.64Å; F93-C115 HydrophobicContact CE2-CB 4.13Å; F93-C115 VanDerWaalsContact CE2-O 3.23Å; F93-C115 WeakPolarHBondContact CE2-O 3.4Å; F93-C115 HydrophobicContact CG-CB 3.81Å; E111-C115 PolarHBondContact O-N 3.29Å; E111-C115 PolarHBondContact O-SG 2.82Å; I112-C115 WeakPolarHBondContact O-CB 3.29Å; I112-C115 PolarHBondContact O-N 3.31Å; L113-C115 VanDerWaalsContact C-N 3.33Å; L113-C115 PolarHBondContact O-N 2.93Å
116	F	97.4	Very high	97.9	Very high	50 Å²	50	34.7 Å²	34.7	22%	0.219	22%	0.215	C	C	.	.	H	α-helix	trans	-134.1	3.5	-177.6	-66.4	-69.8	0	0	0	114.1	V39 K63 V65 F93 Q114 Y118	V39-F116 HydrophobicContact CB-CB 4.46Å; V39-F116 HydrophobicContact CG1-CB 4.05Å; V39-F116 HydrophobicContact CG1-CD2 3.65Å; V39-F116 HydrophobicContact CG1-CG 4.21Å; V39-F116 HydrophobicContact CG2-CB 3.56Å; V39-F116 HydrophobicContact CG2-CD2 4.1Å; V39-F116 HydrophobicContact CG2-CG 3.91Å; K63-F116 HydrophobicContact CB-CD1 4.45Å; K63-F116 HydrophobicContact CB-CD2 4.22Å; K63-F116 HydrophobicContact CB-CE1 4.05Å; K63-F116 HydrophobicContact CB-CE2 3.78Å; K63-F116 HydrophobicContact CB-CZ 3.7Å; K63-F116 HydrophobicContact CD-CD1 3.93Å; K63-F116 HydrophobicContact CD-CE1 3.91Å; K63-F116 HydrophobicContact CD-CG 4.45Å; K63-F116 HydrophobicContact CD-CZ 4.41Å; K63-F116 HydrophobicContact CG-CE1 4.13Å; K63-F116 HydrophobicContact CG-CZ 4.2Å; V65-F116 HydrophobicContact CG2-CD2 3.97Å; V65-F116 HydrophobicContact CG2-CE2 4.06Å; F93-F116 HydrophobicContact CD2-CD2 4.09Å; F93-F116 HydrophobicContact CD2-CE1 4.05Å; F93-F116 AromaticContact CD2-CE2 3.46Å; F93-F116 HydrophobicContact CD2-CE2 3.46Å; F93-F116 VanDerWaalsContact CD2-CE2 3.46Å; F93-F116 AromaticContact CD2-CZ 3.43Å; F93-F116 HydrophobicContact CD2-CZ 3.43Å; F93-F116 VanDerWaalsContact CD2-CZ 3.43Å; F93-F116 HydrophobicContact CE2-CD1 4.16Å; F93-F116 HydrophobicContact CE2-CD2 4.4Å; F93-F116 AromaticContact CE2-CE1 3.66Å; F93-F116 HydrophobicContact CE2-CE1 3.66Å; F93-F116 AromaticContact CE2-CE2 3.94Å; F93-F116 HydrophobicContact CE2-CE2 3.94Å; F93-F116 AromaticContact CE2-CZ 3.53Å; F93-F116 HydrophobicContact CE2-CZ 3.53Å; Q114-F116 PolarHBondContact O-N 3.42Å; F116-Y118 VanDerWaalsContact C-N 3.3Å; F116-Y118 WeakPolarHBondContact O-CD1 3.4Å; F116-Y118 WeakPolarHBondContact O-CE1 3.34Å; F116-Y118 PolarHBondContact O-N 3.45Å
117	G	96.6	Very high	97.9	Very high	54 Å²	54	32.8 Å²	32.8	56%	0.557	20%	0.202	S	C	*	.	S	Bend	trans	86.6	-15.2	-179	0	0	0	0	0	115	L113	L113-G117 CarbonylContact O-C 3.21Å; L113-G117 WeakPolarHBondContact O-CA 3.33Å; L113-G117 PolarHBondContact O-N 2.87Å
118	Y	97.1	Very high	97.8	Very high	67 Å²	67	30.9 Å²	30.9	26%	0.263	18%	0.182	S	C	.	.	S	Bend	trans	-162.4	171.1	-177.4	57.8	-91.5	0	0	0	111.6	V39 F116 D120	V39-Y118 HydrophobicContact CB-CD2 4.22Å; V39-Y118 HydrophobicContact CB-CE2 4.11Å; V39-Y118 VanDerWaalsContact CG1-O 3.22Å; V39-Y118 WeakPolarHBondContact CG1-O 3.45Å; V39-Y118 HydrophobicContact CG2-CD2 3.92Å; V39-Y118 HydrophobicContact CG2-CE2 3.46Å; V39-Y118 VanDerWaalsContact CG2-CE2 3.46Å; F116-Y118 VanDerWaalsContact C-N 3.3Å; F116-Y118 WeakPolarHBondContact O-CD1 3.4Å; F116-Y118 WeakPolarHBondContact O-CE1 3.34Å; F116-Y118 PolarHBondContact O-N 3.45Å; Y118-D120 VanDerWaalsContact CE2-OD2 3.3Å; Y118-D120 WeakPolarHBondContact CE2-OD2 3.49Å
119	V	98.6	Very high	97.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	18%	0.181	C	C	.	.			trans	-126.3	126.4	171.8	179.6	0	0	0	0	109.5	V41 I112 L113 V121 L160 M164	V41-V119 HydrophobicContact CB-CG1 4.37Å; V41-V119 HydrophobicContact CG2-CB 4.3Å; V41-V119 HydrophobicContact CG2-CG1 3.62Å; V41-V119 HydrophobicContact CG2-CG2 3.64Å; I112-V119 HydrophobicContact CG2-CG2 3.62Å; L113-V119 HydrophobicContact CD2-CG2 4.23Å; V119-V121 WeakPolarHBondContact CG1-O 3.4Å; V119-L160 HydrophobicContact CG2-CD2 4.3Å; V119-M164 HydrophobicContact CB-CE 3.83Å; V119-M164 HydrophobicContact CG1-CE 3.51Å
120	D	98.6	Very high	97.7	Very high	16 Å²	16	30.7 Å²	30.7	9%	0.086	18%	0.18	C	C	.	.	S	Bend	trans	-90.6	-39.1	172.7	-64.5	-52.1	0	0	0	111.7	A38 V39 Y118 R167 G170 H171	A38-D120 VanDerWaalsContact CA-OD2 3.28Å; A38-D120 WeakPolarHBondContact CA-OD2 3.38Å; A38-D120 HydrophobicContact CB-CB 4.09Å; V39-D120 PolarHBondContact N-OD2 3.21Å; V39-D120 PolarHBondContact O-N 2.87Å; Y118-D120 VanDerWaalsContact CE2-OD2 3.3Å; Y118-D120 WeakPolarHBondContact CE2-OD2 3.49Å; D120-R167 IonicContact OD1-CZ 3.78Å; D120-R167 IonicContact OD1-NH2 2.69Å; D120-R167 PolarHBondContact OD1-NH2 2.69Å; D120-G170 CarbonylContact O-C 3.59Å; D120-G170 WeakPolarHBondContact O-CA 3.19Å; D120-H171 PolarHBondContact O-N 3.05Å
121	V	98.9	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.1	-178.2	-170.6	0	0	0	0	110.7	L35 V39 V40 V41 V119 I123 H171 V173 V263	L35-V121 HydrophobicContact CD2-CG2 4.11Å; V39-V121 PolarHBondContact O-N 3.04Å; V40-V121 CarbonylContact C-O 3.34Å; V40-V121 WeakPolarHBondContact CA-O 3.46Å; V40-V121 HydrophobicContact CB-CB 4.37Å; V40-V121 HydrophobicContact CG1-CB 4.12Å; V40-V121 HydrophobicContact CG1-CG1 4.35Å; V40-V121 HydrophobicContact CG2-CB 3.95Å; V40-V121 HydrophobicContact CG2-CG2 4.09Å; V41-V121 PolarHBondContact N-O 3.42Å; V119-V121 WeakPolarHBondContact CG1-O 3.4Å; V121-I123 HydrophobicContact CG1-CG1 4.05Å; V121-H171 CarbonylContact C-O 3.59Å; V121-H171 VanDerWaalsContact CA-O 3.22Å; V121-H171 WeakPolarHBondContact CA-O 3.39Å; V121-H171 HydrophobicContact CG1-CB 4.4Å; V121-H171 HydrophobicContact CG2-CB 4.18Å; V121-V173 HydrophobicContact CG1-CG2 3.86Å; V121-V263 HydrophobicContact CG1-CG1 4.04Å; V121-V263 HydrophobicContact CG2-CG1 4.47Å
122	L	98.9	Very high	97.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.1	169.3	172.4	62.8	0	0	0	109.6	V41 L156 L160 M164 H171 V173	V41-L122 HydrophobicContact CB-CD1 3.95Å; V41-L122 HydrophobicContact CG1-CD1 3.8Å; L122-L156 HydrophobicContact CD1-CD2 3.89Å; L122-L156 HydrophobicContact CD1-CG 4.37Å; L122-L156 HydrophobicContact CD2-CG 4.39Å; L122-L160 HydrophobicContact CD1-CD1 4.07Å; L122-L160 HydrophobicContact CD2-CD1 4.11Å; L122-M164 HydrophobicContact CB-CE 4.15Å; L122-H171 PolarHBondContact N-O 3.26Å; L122-V173 WeakPolarHBondContact O-CA 3.23Å; L122-V173 PolarHBondContact O-N 3.32Å
123	I	98.9	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	97	173.6	-49.5	-175.4	0	0	0	109.6	V40 V41 V42 T43 F57 V121 N125 V173 I175	V40-I123 HydrophobicContact CG1-CD1 3.84Å; V40-I123 HydrophobicContact CG1-CG1 4.12Å; V41-I123 PolarHBondContact O-N 3.09Å; V42-I123 HydrophobicContact CG2-CD1 4.17Å; T43-I123 PolarHBondContact N-O 3.06Å; T43-I123 VanDerWaalsContact N-O 3.07Å; T43-I123 PolarHBondContact OG1-O 3.47Å; F57-I123 HydrophobicContact CD2-CD1 4.31Å; F57-I123 HydrophobicContact CE1-CD1 4.15Å; F57-I123 HydrophobicContact CE2-CD1 3.77Å; F57-I123 HydrophobicContact CZ-CD1 3.67Å; V121-I123 HydrophobicContact CG1-CG1 4.05Å; I123-N125 VanDerWaalsContact C-N 3.31Å; I123-N125 HydrophobicContact CG2-CB 3.99Å; I123-N125 PolarHBondContact O-N 3.36Å; I123-V173 HydrophobicContact CG1-CB 4.32Å; I123-I175 HydrophobicContact CG2-CD1 4.43Å; I123-I175 HydrophobicContact CG2-CG1 4.28Å
124	N	98.8	Very high	96.9	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	81.7	168.8	-72	-57.3	0	0	0	109.7	T43 P153 T157 V173 I175	T43-N124 WeakPolarHBondContact OG1-CA 3.48Å; N124-P153 HydrophobicContact CB-CB 4.08Å; N124-T157 PolarHBondContact ND2-OG1 3.14Å; N124-V173 WeakPolarHBondContact CB-O 3.41Å; N124-V173 PolarHBondContact N-O 3.3Å; N124-I175 PolarHBondContact O-N 3.3Å
125	N	98.5	Very high	96.8	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.118	18%	0.179	C	C	.	.			trans	-104.2	-30.7	-178.9	161	86.1	0	0	0	113.5	T43 G44 G50 I123 G127 I175	T43-N125 WeakPolarHBondContact O-CB 3.41Å; T43-N125 PolarHBondContact O-ND2 3.28Å; T43-N125 PolarHBondContact OG1-N 3.24Å; G44-N125 PolarHBondContact O-ND2 3.27Å; G50-N125 WeakPolarHBondContact CA-ND2 3.48Å; G50-N125 PolarHBondContact N-ND2 2.96Å; I123-N125 VanDerWaalsContact C-N 3.31Å; I123-N125 HydrophobicContact CG2-CB 3.99Å; I123-N125 PolarHBondContact O-N 3.36Å; N125-G127 PolarHBondContact O-N 3.35Å; N125-I175 HydrophobicContact CB-CB 4.42Å; N125-I175 HydrophobicContact CB-CG1 3.75Å
126	A	95.5	Very high	96.6	Very high	17 Å²	17	32.5 Å²	32.5	14%	0.14	20%	0.197	C	C	.	.			trans	-56.6	141.7	-178.9	0	0	0	0	0	112	T43 L99	T43-A126 PolarHBondContact O-N 3.29Å; T43-A126 PolarHBondContact OG1-N 2.96Å; T43-A126 VanDerWaalsContact OG1-N 3.15Å; L99-A126 HydrophobicContact CD1-CB 3.22Å
127	G	95.1	Very high	96.6	Very high	31 Å²	31	30.9 Å²	30.9	32%	0.32	19%	0.192	S	C	.	.			trans	178.3	163.9	-179.8	0	0	0	0	0	112.4	N125 N149	N125-G127 PolarHBondContact O-N 3.35Å; G127-N149 WeakPolarHBondContact CA-OD1 3.18Å
128	I	96.4	Very high	96.7	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.138	19%	0.186	C	C	.	.			trans	-117.3	155.2	170.9	58.9	165.2	0	0	0	110.6	K144 V145 I148 N149 Y190 V232	I128-K144 HydrophobicContact CD1-CG 4.38Å; I128-V145 HydrophobicContact CD1-CG2 3.84Å; I128-V145 HydrophobicContact CG1-CG2 4.36Å; I128-I148 HydrophobicContact CD1-CD1 3.67Å; I128-I148 HydrophobicContact CG1-CB 4.24Å; I128-I148 HydrophobicContact CG1-CD1 4.04Å; I128-I148 HydrophobicContact CG1-CG2 4.17Å; I128-I148 HydrophobicContact CG2-CD1 4.19Å; I128-I148 HydrophobicContact CG2-CG2 4.25Å; I128-N149 PolarHBondContact N-OD1 2.76Å; I128-N149 PolarHBondContact O-ND2 3.48Å; I128-N149 PolarHBondContact O-OD1 3.06Å; I128-Y190 WeakPolarHBondContact O-CD2 3.39Å; I128-Y190 VanDerWaalsContact O-CE2 3.25Å; I128-Y190 WeakPolarHBondContact O-CE2 3.37Å; I128-V232 HydrophobicContact CD1-CG1 4.17Å; I128-V232 HydrophobicContact CD1-CG2 4.06Å
129	S	95.9	Very high	96.7	Very high	3 Å²	3	34 Å²	34	2%	0.021	20%	0.203	C	C	.	.			trans	-102.5	168.8	168.7	-152.3	0	0	0	0	110.9	R131 A231 V232	S129-R131 PolarHBondContact OG-NH1 3.3Å; S129-A231 CarbonylContact O-C 3.58Å; S129-A231 VanDerWaalsContact O-CA 3.22Å; S129-A231 WeakPolarHBondContact O-CA 3.47Å; S129-A231 WeakPolarHBondContact O-CB 3.41Å; S129-V232 PolarHBondContact O-N 3.44Å
130	Y	96.7	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.9	-177.5	151.6	-86.9	0	0	0	111.6	G132 T133 T137 V141 R187 A189 V232	Y130-G132 WeakPolarHBondContact OH-CA 3.44Å; Y130-G132 PolarHBondContact OH-O 3.18Å; Y130-T133 PolarHBondContact OH-O 2.99Å; Y130-T137 HydrophobicContact CE2-CG2 3.63Å; Y130-T137 PolarHBondContact OH-OG1 3.47Å; Y130-V141 HydrophobicContact CD2-CG1 3.59Å; Y130-V141 HydrophobicContact CE2-CG1 3.84Å; Y130-R187 WeakPolarHBondContact O-CD 3.44Å; Y130-A189 HydrophobicContact CD1-CB 3.78Å; Y130-A189 HydrophobicContact CD2-CB 4.1Å; Y130-A189 HydrophobicContact CE1-CB 4.16Å; Y130-A189 HydrophobicContact CE2-CB 4.43Å; Y130-A189 HydrophobicContact CG-CB 3.74Å; Y130-V232 CarbonylContact C-O 3.56Å; Y130-V232 VanDerWaalsContact CA-O 3.23Å; Y130-V232 WeakPolarHBondContact CA-O 3.47Å; Y130-V232 HydrophobicContact CD2-CG2 4.26Å
131	R	95.1	Very high	96.6	Very high	14 Å²	14	38.7 Å²	38.7	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	108.1	-178.4	-58.6	-62.2	179.8	-97.5	7.2	110.5	S129 R187 A231 V232 T233 A234 Y239 D243	S129-R131 PolarHBondContact OG-NH1 3.3Å; R131-R187 VanDerWaalsContact CZ-CZ 3.45Å; R131-A231 HydrophobicContact CG-CB 3.88Å; R131-V232 PolarHBondContact N-O 3.11Å; R131-T233 HydrophobicContact CB-CG2 4.46Å; R131-T233 WeakPolarHBondContact O-CA 3.49Å; R131-A234 PolarHBondContact O-N 3.23Å; R131-Y239 HydrophobicContact CB-CD2 3.76Å; R131-Y239 HydrophobicContact CB-CE2 4.08Å; R131-Y239 HydrophobicContact CB-CG 4.19Å; R131-Y239 HydrophobicContact CG-CD1 4.02Å; R131-Y239 HydrophobicContact CG-CD2 3.74Å; R131-Y239 HydrophobicContact CG-CE1 4.25Å; R131-Y239 HydrophobicContact CG-CE2 4.02Å; R131-Y239 HydrophobicContact CG-CG 3.71Å; R131-D243 IonicContact CZ-OD2 3.59Å; R131-D243 IonicContact NE-OD2 3.67Å; R131-D243 PolarHBondContact NE-OD2 3.41Å; R131-D243 IonicContact NH2-OD2 3.87Å; R131-D243 PolarHBondContact NH2-OD2 3.31Å
132	G	93.9	Very high	96.6	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	24%	0.241	C	C	.	.			trans	-175.3	164.3	177.6	0	0	0	0	0	112.6	Y130 F186	Y130-G132 WeakPolarHBondContact OH-CA 3.44Å; Y130-G132 PolarHBondContact OH-O 3.18Å; G132-F186 PolarHBondContact N-O 3.26Å; G132-F186 CarbonylContact O-C 3.59Å; G132-F186 VanDerWaalsContact O-C 3.26Å; G132-F186 WeakPolarHBondContact O-CA 3.35Å; G132-F186 WeakPolarHBondContact O-CB 3.47Å
133	T	94.8	Very high	96.5	Very high	29 Å²	29	48.2 Å²	48.2	18%	0.178	27%	0.268	C	S	.	.			trans	-82.2	153.2	167.9	79.2	0	0	0	0	108.7	Y130 S135 D136 T137 F186	Y130-T133 PolarHBondContact OH-O 2.99Å; T133-S135 VanDerWaalsContact C-N 3.27Å; T133-S135 PolarHBondContact O-N 3.46Å; T133-S135 PolarHBondContact OG1-OG 3.4Å; T133-S135 VanDerWaalsContact OG1-OG 3.09Å; T133-D136 WeakPolarHBondContact CG2-OD2 3.34Å; T133-D136 PolarHBondContact O-N 2.98Å; T133-D136 WeakPolarHBondContact OG1-CB 3.49Å; T133-D136 PolarHBondContact OG1-N 3.37Å; T133-D136 PolarHBondContact OG1-OD1 2.95Å; T133-D136 PolarHBondContact OG1-OD2 3.16Å; T133-T137 WeakPolarHBondContact O-CB 3.41Å; T133-T137 PolarHBondContact O-N 3.35Å; T133-T137 PolarHBondContact O-OG1 3Å; T133-F186 HydrophobicContact CG2-CD1 3.94Å; T133-F186 HydrophobicContact CG2-CE1 4.02Å
134	I	94.2	Very high	96.4	Very high	136 Å²	136	53 Å²	53	70%	0.697	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.2	178.4	-65.7	170.7	0	0	0	111	D136	I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 2.9Å
135	S	95.2	Very high	96.4	Very high	97 Å²	97	52.7 Å²	52.7	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.3	-178.9	51.1	0	0	0	0	113.3	T133	T133-S135 VanDerWaalsContact C-N 3.27Å; T133-S135 PolarHBondContact O-N 3.46Å; T133-S135 PolarHBondContact OG1-OG 3.4Å; T133-S135 VanDerWaalsContact OG1-OG 3.09Å
136	D	94.8	Very high	96.3	Very high	102 Å²	102	53.8 Å²	53.8	55%	0.545	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-7.8	-170.9	-46.4	-19.4	0	0	0	111.9	T133 I134 A234	T133-D136 WeakPolarHBondContact CG2-OD2 3.34Å; T133-D136 PolarHBondContact O-N 2.98Å; T133-D136 WeakPolarHBondContact OG1-CB 3.49Å; T133-D136 PolarHBondContact OG1-N 3.37Å; T133-D136 PolarHBondContact OG1-OD1 2.95Å; T133-D136 PolarHBondContact OG1-OD2 3.16Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 2.9Å; D136-A234 HydrophobicContact CB-CB 4.18Å
137	T	97	Very high	96.4	Very high	17 Å²	17	55.1 Å²	55.1	10%	0.104	30%	0.295	C	S	.	.			trans	-84.4	123.6	-174	-61.3	0	0	0	0	111	Y130 T133 V141 A234	Y130-T137 HydrophobicContact CE2-CG2 3.63Å; Y130-T137 PolarHBondContact OH-OG1 3.47Å; T133-T137 WeakPolarHBondContact O-CB 3.41Å; T133-T137 PolarHBondContact O-N 3.35Å; T133-T137 PolarHBondContact O-OG1 3Å; T137-V141 HydrophobicContact CG2-CB 3.98Å; T137-V141 HydrophobicContact CG2-CG1 4.01Å; T137-A234 WeakPolarHBondContact CA-O 3.44Å; T137-A234 WeakPolarHBondContact OG1-CB 3.28Å
138	I	97.8	Very high	96.5	Very high	83 Å²	83	54.4 Å²	54.4	43%	0.426	28%	0.284	S	S	.	.			trans	-73.6	143.8	174.9	69.3	178.3	0	0	0	109.9	D140 V141 A234	I138-D140 HydrophobicContact CD1-CB 4.3Å; I138-D140 HydrophobicContact CG1-CB 4.38Å; I138-D140 PolarHBondContact O-N 3.06Å; I138-D140 VanDerWaalsContact O-N 3.13Å; I138-V141 HydrophobicContact CD1-CG2 4.13Å; I138-V141 HydrophobicContact CG1-CB 4.21Å; I138-V141 HydrophobicContact CG1-CG2 3.62Å; I138-V141 WeakPolarHBondContact O-CB 3.46Å; I138-V141 PolarHBondContact O-N 3.28Å; I138-A234 PolarHBondContact N-O 3.33Å
139	V	97.8	Very high	96.6	Very high	102 Å²	102	53.2 Å²	53.2	62%	0.618	28%	0.278	S	S	*	.	H	α-helix	trans	-59.1	-29.8	-176.9	179.9	0	0	0	0	112.5	V141 D142 R143	V139-V141 PolarHBondContact O-N 2.81Å; V139-D142 WeakPolarHBondContact O-CB 3.02Å; V139-D142 PolarHBondContact O-N 2.95Å; V139-D142 VanDerWaalsContact O-N 3.12Å; V139-R143 PolarHBondContact O-N 2.98Å
140	D	97.9	Very high	96.7	Very high	114 Å²	114	55.5 Å²	55.5	61%	0.61	29%	0.286	S	S	*	.	H	α-helix	trans	-63.3	-30.2	176.6	-69.5	-22	0	0	0	112.7	I138 K144	I138-D140 HydrophobicContact CD1-CB 4.3Å; I138-D140 HydrophobicContact CG1-CB 4.38Å; I138-D140 PolarHBondContact O-N 3.06Å; I138-D140 VanDerWaalsContact O-N 3.13Å; D140-K144 VanDerWaalsContact O-CB 3.24Å; D140-K144 WeakPolarHBondContact O-CB 3.37Å; D140-K144 PolarHBondContact O-N 3.18Å
141	V	97.7	Very high	96.8	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-69.9	-43.6	172.5	171.5	0	0	0	0	110.5	Y130 T137 I138 V139 R143 K144 V145 V232 G236	Y130-V141 HydrophobicContact CD2-CG1 3.59Å; Y130-V141 HydrophobicContact CE2-CG1 3.84Å; T137-V141 HydrophobicContact CG2-CB 3.98Å; T137-V141 HydrophobicContact CG2-CG1 4.01Å; I138-V141 HydrophobicContact CD1-CG2 4.13Å; I138-V141 HydrophobicContact CG1-CB 4.21Å; I138-V141 HydrophobicContact CG1-CG2 3.62Å; I138-V141 WeakPolarHBondContact O-CB 3.46Å; I138-V141 PolarHBondContact O-N 3.28Å; V139-V141 PolarHBondContact O-N 2.81Å; V141-R143 VanDerWaalsContact C-N 3.32Å; V141-R143 PolarHBondContact O-N 2.95Å; V141-K144 PolarHBondContact O-N 2.88Å; V141-V145 HydrophobicContact CG1-CG2 4.5Å; V141-V145 VanDerWaalsContact O-CG2 3.29Å; V141-V145 WeakPolarHBondContact O-CG2 3.35Å; V141-V145 PolarHBondContact O-N 2.79Å; V141-V232 HydrophobicContact CG1-CG2 4Å; V141-G236 VanDerWaalsContact CG2-CA 3.47Å; V141-G236 VanDerWaalsContact CG2-N 3.33Å
142	D	97.9	Very high	96.9	Very high	50 Å²	50	59.2 Å²	59.2	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-58.1	-46.6	174.6	-67.1	-64.9	0	0	0	110.9	V139 V145 M146 A189	V139-D142 WeakPolarHBondContact O-CB 3.02Å; V139-D142 PolarHBondContact O-N 2.95Å; V139-D142 VanDerWaalsContact O-N 3.12Å; D142-V145 PolarHBondContact O-N 2.79Å; D142-M146 WeakPolarHBondContact O-CG 3.44Å; D142-M146 PolarHBondContact O-N 2.84Å; D142-A189 VanDerWaalsContact OD1-CB 3.26Å; D142-A189 WeakPolarHBondContact OD1-CB 3.34Å
143	R	97.4	Very high	97	Very high	151 Å²	151	59.1 Å²	59.1	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-60.5	-50.1	176.8	-171.1	-178.1	-63.1	-83.3	1	111.4	V139 V141 V145 M146 E147	V139-R143 PolarHBondContact O-N 2.98Å; V141-R143 VanDerWaalsContact C-N 3.32Å; V141-R143 PolarHBondContact O-N 2.95Å; R143-V145 VanDerWaalsContact C-N 3.29Å; R143-V145 PolarHBondContact O-N 3.37Å; R143-M146 CarbonylContact O-C 3.47Å; R143-M146 WeakPolarHBondContact O-CA 3.42Å; R143-M146 WeakPolarHBondContact O-CB 3.11Å; R143-M146 PolarHBondContact O-N 3.18Å; R143-E147 HydrophobicContact CG-CG 4.39Å; R143-E147 WeakPolarHBondContact O-CG 3.46Å; R143-E147 PolarHBondContact O-N 2.98Å
144	K	96.6	Very high	97.2	Very high	99 Å²	99	58.3 Å²	58.3	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-56.5	-41.8	179	179.8	175.8	-178.3	174.9	0	112.6	I128 D140 V141 E147 I148	I128-K144 HydrophobicContact CD1-CG 4.38Å; D140-K144 VanDerWaalsContact O-CB 3.24Å; D140-K144 WeakPolarHBondContact O-CB 3.37Å; D140-K144 PolarHBondContact O-N 3.18Å; V141-K144 PolarHBondContact O-N 2.88Å; K144-E147 PolarHBondContact O-N 3.2Å; K144-I148 HydrophobicContact CG-CD1 4.14Å; K144-I148 PolarHBondContact O-N 2.89Å
145	V	97.8	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-39.1	177.1	176.5	0	0	0	0	110.9	I128 V141 D142 R143 N149 A189 V232	I128-V145 HydrophobicContact CD1-CG2 3.84Å; I128-V145 HydrophobicContact CG1-CG2 4.36Å; V141-V145 HydrophobicContact CG1-CG2 4.5Å; V141-V145 VanDerWaalsContact O-CG2 3.29Å; V141-V145 WeakPolarHBondContact O-CG2 3.35Å; V141-V145 PolarHBondContact O-N 2.79Å; D142-V145 PolarHBondContact O-N 2.79Å; R143-V145 VanDerWaalsContact C-N 3.29Å; R143-V145 PolarHBondContact O-N 3.37Å; V145-N149 VanDerWaalsContact O-CB 3.24Å; V145-N149 WeakPolarHBondContact O-CB 3.21Å; V145-N149 PolarHBondContact O-N 2.81Å; V145-A189 HydrophobicContact CB-CB 4.01Å; V145-A189 HydrophobicContact CG1-CB 4.16Å; V145-A189 WeakPolarHBondContact CG1-O 3.47Å; V145-A189 HydrophobicContact CG2-CB 3.97Å; V145-V232 HydrophobicContact CG2-CG2 3.85Å
146	M	98	Very high	97.6	Very high	45 Å²	45	48.6 Å²	48.6	22%	0.222	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-44.5	173.9	-73.6	-63.8	-63.2	0	0	112.8	D142 R143 I148 Y150 F151 S193 A196	D142-M146 WeakPolarHBondContact O-CG 3.44Å; D142-M146 PolarHBondContact O-N 2.84Å; R143-M146 CarbonylContact O-C 3.47Å; R143-M146 WeakPolarHBondContact O-CA 3.42Å; R143-M146 WeakPolarHBondContact O-CB 3.11Å; R143-M146 PolarHBondContact O-N 3.18Å; M146-I148 VanDerWaalsContact C-N 3.33Å; M146-I148 PolarHBondContact O-N 3.24Å; M146-Y150 HydrophobicContact CE-CD1 3.61Å; M146-Y150 HydrophobicContact CE-CE1 4.37Å; M146-Y150 HydrophobicContact CE-CG 3.9Å; M146-Y150 WeakPolarHBondContact O-CA 3.44Å; M146-Y150 VanDerWaalsContact O-CB 3.29Å; M146-Y150 WeakPolarHBondContact O-CB 3.41Å; M146-Y150 PolarHBondContact O-N 3.38Å; M146-F151 HydrophobicContact CB-CD2 4.42Å; M146-F151 HydrophobicContact CB-CE2 4.34Å; M146-F151 PolarHBondContact O-N 3.04Å; M146-S193 WeakPolarHBondContact SD-CA 3.26Å; M146-A196 HydrophobicContact CE-CB 3.96Å
147	E	96.9	Very high	97.8	Very high	46 Å²	46	43.8 Å²	43.8	22%	0.215	22%	0.216	C	C	.	.	I	π-helix	trans	-55.3	-50.3	177.9	-69.2	-52.2	145.6	0	0	111	R143 K144 F151 G152	R143-E147 HydrophobicContact CG-CG 4.39Å; R143-E147 WeakPolarHBondContact O-CG 3.46Å; R143-E147 PolarHBondContact O-N 2.98Å; K144-E147 PolarHBondContact O-N 3.2Å; E147-F151 PolarHBondContact O-N 3.25Å; E147-G152 PolarHBondContact O-N 3.07Å
148	I	96.6	Very high	97.8	Very high	16 Å²	16	49.2 Å²	49.2	8%	0.082	24%	0.238	C	C	.	.	I	π-helix	trans	-75.4	-45.1	-174.9	-66.5	163.9	0	0	0	112.5	A100 I128 K144 M146 P153	A100-I148 HydrophobicContact CB-CD1 4.27Å; A100-I148 HydrophobicContact CB-CG1 3.69Å; I128-I148 HydrophobicContact CD1-CD1 3.67Å; I128-I148 HydrophobicContact CG1-CB 4.24Å; I128-I148 HydrophobicContact CG1-CD1 4.04Å; I128-I148 HydrophobicContact CG1-CG2 4.17Å; I128-I148 HydrophobicContact CG2-CD1 4.19Å; I128-I148 HydrophobicContact CG2-CG2 4.25Å; K144-I148 HydrophobicContact CG-CD1 4.14Å; K144-I148 PolarHBondContact O-N 2.89Å; M146-I148 VanDerWaalsContact C-N 3.33Å; M146-I148 PolarHBondContact O-N 3.24Å; I148-P153 VanDerWaalsContact O-CD 3.27Å; I148-P153 WeakPolarHBondContact O-CD 3.33Å
149	N	98.2	Very high	97.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.233	C	C	.	.	I	π-helix	trans	-87.9	-20.1	-171.1	-70.3	-6.4	0	0	0	113.7	G127 I128 V145 S193 T197	G127-N149 WeakPolarHBondContact CA-OD1 3.18Å; I128-N149 PolarHBondContact N-OD1 2.76Å; I128-N149 PolarHBondContact O-ND2 3.48Å; I128-N149 PolarHBondContact O-OD1 3.06Å; V145-N149 VanDerWaalsContact O-CB 3.24Å; V145-N149 WeakPolarHBondContact O-CB 3.21Å; V145-N149 PolarHBondContact O-N 2.81Å; N149-S193 WeakPolarHBondContact CB-OG 3.29Å; N149-S193 PolarHBondContact ND2-OG 2.93Å; N149-T197 PolarHBondContact O-OG1 3.5Å
150	Y	98.3	Very high	97.9	Very high	51 Å²	51	42.3 Å²	42.3	20%	0.2	20%	0.204	C	C	.	.	I	π-helix	trans	-122.3	-65.2	-174.8	175.3	-107.3	0	0	0	112	M146 G152 P153 V154 A196 F200	M146-Y150 HydrophobicContact CE-CD1 3.61Å; M146-Y150 HydrophobicContact CE-CE1 4.37Å; M146-Y150 HydrophobicContact CE-CG 3.9Å; M146-Y150 WeakPolarHBondContact O-CA 3.44Å; M146-Y150 VanDerWaalsContact O-CB 3.29Å; M146-Y150 WeakPolarHBondContact O-CB 3.41Å; M146-Y150 PolarHBondContact O-N 3.38Å; Y150-G152 PolarHBondContact O-N 2.77Å; Y150-P153 WeakPolarHBondContact O-CD 3.49Å; Y150-V154 HydrophobicContact CD2-CG2 3.97Å; Y150-V154 HydrophobicContact CE1-CG2 4.43Å; Y150-V154 HydrophobicContact CE2-CG2 3.69Å; Y150-V154 HydrophobicContact CG-CG2 4.46Å; Y150-V154 WeakPolarHBondContact O-CB 3.43Å; Y150-V154 WeakPolarHBondContact O-CG2 3.44Å; Y150-V154 PolarHBondContact O-N 2.88Å; Y150-A196 HydrophobicContact CD2-CB 3.65Å; Y150-A196 HydrophobicContact CE2-CB 3.89Å; Y150-A196 WeakPolarHBondContact CE2-O 3.28Å; Y150-A196 HydrophobicContact CG-CB 4Å; Y150-F200 HydrophobicContact CE2-CB 3.73Å; Y150-F200 HydrophobicContact CE2-CG 4.29Å
151	F	98	Very high	97.9	Very high	92 Å²	92	38 Å²	38	40%	0.404	18%	0.181	S	C	.	.	I	π-helix	trans	-64.5	-41.6	-172.5	-70.8	-65.3	0	0	0	112.8	M146 E147 V154 A155	M146-F151 HydrophobicContact CB-CD2 4.42Å; M146-F151 HydrophobicContact CB-CE2 4.34Å; M146-F151 PolarHBondContact O-N 3.04Å; E147-F151 PolarHBondContact O-N 3.25Å; F151-V154 PolarHBondContact O-N 2.81Å; F151-A155 VanDerWaalsContact O-CB 3.29Å; F151-A155 WeakPolarHBondContact O-CB 3.46Å; F151-A155 PolarHBondContact O-N 3.5Å
152	G	97.4	Very high	97.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.7	-59.5	175.2	0	0	0	0	0	112.9	L99 E147 Y150 V154 A155 L156	L99-G152 VanDerWaalsContact CD2-C 3.5Å; L99-G152 WeakPolarHBondContact O-CA 3.47Å; E147-G152 PolarHBondContact O-N 3.07Å; Y150-G152 PolarHBondContact O-N 2.77Å; G152-V154 VanDerWaalsContact C-N 3.28Å; G152-V154 PolarHBondContact O-N 2.97Å; G152-A155 PolarHBondContact O-N 3.24Å; G152-L156 PolarHBondContact O-N 3.27Å
153	P	97.9	Very high	97.9	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-38.2	174.9	-31	37.4	0	0	0	114.2	N124 I148 Y150 T157	N124-P153 HydrophobicContact CB-CB 4.08Å; I148-P153 VanDerWaalsContact O-CD 3.27Å; I148-P153 WeakPolarHBondContact O-CD 3.33Å; Y150-P153 WeakPolarHBondContact O-CD 3.49Å; P153-T157 WeakPolarHBondContact O-CB 3.37Å; P153-T157 PolarHBondContact O-N 3.02Å; P153-T157 PolarHBondContact O-OG1 3.31Å
154	V	98.2	Very high	98	Very high	12 Å²	12	33.4 Å²	33.4	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-49.7	175.9	166.1	0	0	0	0	110.7	Y150 F151 G152 T157 K158 F200	Y150-V154 HydrophobicContact CD2-CG2 3.97Å; Y150-V154 HydrophobicContact CE1-CG2 4.43Å; Y150-V154 HydrophobicContact CE2-CG2 3.69Å; Y150-V154 HydrophobicContact CG-CG2 4.46Å; Y150-V154 WeakPolarHBondContact O-CB 3.43Å; Y150-V154 WeakPolarHBondContact O-CG2 3.44Å; Y150-V154 PolarHBondContact O-N 2.88Å; F151-V154 PolarHBondContact O-N 2.81Å; G152-V154 VanDerWaalsContact C-N 3.28Å; G152-V154 PolarHBondContact O-N 2.97Å; V154-T157 PolarHBondContact O-N 2.98Å; V154-K158 HydrophobicContact CG1-CD 4.1Å; V154-K158 WeakPolarHBondContact O-CB 3.49Å; V154-K158 WeakPolarHBondContact O-CG 3.38Å; V154-K158 PolarHBondContact O-N 2.89Å; V154-F200 HydrophobicContact CB-CE1 4.35Å; V154-F200 HydrophobicContact CB-CE2 4.39Å; V154-F200 HydrophobicContact CB-CZ 4.18Å; V154-F200 HydrophobicContact CG1-CD2 4.32Å; V154-F200 HydrophobicContact CG1-CE1 4.42Å; V154-F200 HydrophobicContact CG1-CE2 3.7Å; V154-F200 HydrophobicContact CG1-CZ 3.76Å; V154-F200 HydrophobicContact CG2-CB 4.5Å; V154-F200 HydrophobicContact CG2-CD1 3.69Å; V154-F200 HydrophobicContact CG2-CD2 3.86Å; V154-F200 HydrophobicContact CG2-CE1 3.78Å; V154-F200 HydrophobicContact CG2-CE2 3.94Å; V154-F200 HydrophobicContact CG2-CG 3.73Å; V154-F200 HydrophobicContact CG2-CZ 3.91Å
155	A	98.3	Very high	98.1	Very high	30 Å²	30	31.3 Å²	31.3	25%	0.248	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-45.2	-177.9	0	0	0	0	0	111.4	I105 F151 G152 T157 K158 A159	I105-A155 HydrophobicContact CD1-CB 3.54Å; I105-A155 HydrophobicContact CG2-CB 4.01Å; F151-A155 VanDerWaalsContact O-CB 3.29Å; F151-A155 WeakPolarHBondContact O-CB 3.46Å; F151-A155 PolarHBondContact O-N 3.5Å; G152-A155 PolarHBondContact O-N 3.24Å; A155-T157 VanDerWaalsContact C-N 3.33Å; A155-T157 PolarHBondContact O-N 3.22Å; A155-K158 PolarHBondContact O-N 3.5Å; A155-A159 WeakPolarHBondContact O-CB 3.44Å; A155-A159 PolarHBondContact O-N 3.18Å
156	L	98.6	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-41.8	176.8	-179.3	63.5	0	0	0	111.4	T43 F97 L99 I105 A109 I112 L122 G152 A159 L160	T43-L156 HydrophobicContact CG2-CD2 3.49Å; T43-L156 VanDerWaalsContact CG2-CD2 3.49Å; F97-L156 HydrophobicContact CE2-CD2 4.4Å; F97-L156 HydrophobicContact CZ-CD1 4.31Å; F97-L156 HydrophobicContact CZ-CD2 3.91Å; L99-L156 HydrophobicContact CD2-CB 4.46Å; L99-L156 HydrophobicContact CD2-CD2 4.49Å; I105-L156 HydrophobicContact CG2-CB 4.08Å; I105-L156 HydrophobicContact CG2-CD1 4.36Å; A109-L156 HydrophobicContact CB-CD1 4.41Å; I112-L156 HydrophobicContact CD1-CD1 4.01Å; L122-L156 HydrophobicContact CD1-CD2 3.89Å; L122-L156 HydrophobicContact CD1-CG 4.37Å; L122-L156 HydrophobicContact CD2-CG 4.39Å; G152-L156 PolarHBondContact O-N 3.27Å; L156-A159 PolarHBondContact O-N 3.08Å; L156-L160 HydrophobicContact CD1-CD1 3.9Å; L156-L160 HydrophobicContact CD1-CG 4.27Å; L156-L160 HydrophobicContact CG-CD1 4.12Å; L156-L160 PolarHBondContact O-N 3.46Å; L156-L160 VanDerWaalsContact O-N 3.09Å
157	T	98.6	Very high	98.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-51.2	174.9	-62.8	0	0	0	0	110.5	N124 P153 V154 A155 A159 L160 L161 I172 F201 L204	N124-T157 PolarHBondContact ND2-OG1 3.14Å; P153-T157 WeakPolarHBondContact O-CB 3.37Å; P153-T157 PolarHBondContact O-N 3.02Å; P153-T157 PolarHBondContact O-OG1 3.31Å; V154-T157 PolarHBondContact O-N 2.98Å; A155-T157 VanDerWaalsContact C-N 3.33Å; A155-T157 PolarHBondContact O-N 3.22Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 2.91Å; T157-L160 PolarHBondContact O-N 3.34Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 PolarHBondContact O-N 3.37Å; T157-I172 HydrophobicContact CG2-CD1 3.81Å; T157-I172 HydrophobicContact CG2-CG2 4.13Å; T157-F201 HydrophobicContact CG2-CE1 4.36Å; T157-L204 HydrophobicContact CG2-CD2 3.76Å
158	K	98.2	Very high	98.1	Very high	131 Å²	131	45.2 Å²	45.2	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-60.5	-34.8	178.6	-75.2	-178.7	174.1	-171.6	0	112.8	V154 A155 P162	V154-K158 HydrophobicContact CG1-CD 4.1Å; V154-K158 WeakPolarHBondContact O-CB 3.49Å; V154-K158 WeakPolarHBondContact O-CG 3.38Å; V154-K158 PolarHBondContact O-N 2.89Å; A155-K158 PolarHBondContact O-N 3.5Å; K158-P162 WeakPolarHBondContact O-CD 3.49Å
159	A	98.3	Very high	98.1	Very high	38 Å²	38	49 Å²	49	31%	0.314	25%	0.245	S	C	.	.	H	α-helix	trans	-71.7	-34.6	179.4	0	0	0	0	0	112.9	I105 A109 A155 L156 T157	I105-A159 HydrophobicContact CG2-CB 4.47Å; A109-A159 HydrophobicContact CB-CB 3.46Å; A109-A159 VanDerWaalsContact CB-CB 3.46Å; A155-A159 WeakPolarHBondContact O-CB 3.44Å; A155-A159 PolarHBondContact O-N 3.18Å; L156-A159 PolarHBondContact O-N 3.08Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 2.91Å
160	L	98.6	Very high	98.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-90.2	-21.5	179.6	-66	174.5	0	0	0	113.6	A109 I112 L113 V119 L122 L156 T157 S163 M164	A109-L160 HydrophobicContact CB-CD2 3.92Å; A109-L160 HydrophobicContact CB-CG 4.22Å; I112-L160 HydrophobicContact CB-CD2 4.4Å; I112-L160 HydrophobicContact CG2-CD1 4.33Å; I112-L160 HydrophobicContact CG2-CD2 4Å; L113-L160 HydrophobicContact CD1-CD2 4.17Å; L113-L160 HydrophobicContact CD2-CD2 4.1Å; L113-L160 HydrophobicContact CG-CD2 3.8Å; V119-L160 HydrophobicContact CG2-CD2 4.3Å; L122-L160 HydrophobicContact CD1-CD1 4.07Å; L122-L160 HydrophobicContact CD2-CD1 4.11Å; L156-L160 HydrophobicContact CD1-CD1 3.9Å; L156-L160 HydrophobicContact CD1-CG 4.27Å; L156-L160 HydrophobicContact CG-CD1 4.12Å; L156-L160 PolarHBondContact O-N 3.46Å; L156-L160 VanDerWaalsContact O-N 3.09Å; T157-L160 PolarHBondContact O-N 3.34Å; L160-S163 PolarHBondContact O-N 3.26Å; L160-M164 PolarHBondContact O-N 3.35Å
161	L	98.4	Very high	98.2	Very high	24 Å²	24	46.7 Å²	46.7	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-41.7	-174.2	-175.9	65.4	0	0	0	114.4	T157 S163 M164 V165 I172 L204 M208 I213	T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 PolarHBondContact O-N 3.37Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.91Å; L161-M164 WeakPolarHBondContact O-CB 3.29Å; L161-M164 PolarHBondContact O-N 2.87Å; L161-V165 HydrophobicContact CD1-CG2 4.01Å; L161-V165 HydrophobicContact CG-CG2 4.01Å; L161-V165 WeakPolarHBondContact O-CG2 3.38Å; L161-V165 PolarHBondContact O-N 2.7Å; L161-I172 HydrophobicContact CD1-CD1 3.82Å; L161-L204 HydrophobicContact CD2-CD1 3.88Å; L161-M208 HydrophobicContact CD1-CG 4.18Å; L161-M208 HydrophobicContact CD1-SD 3.77Å; L161-M208 HydrophobicContact CD2-SD 3.79Å; L161-M208 HydrophobicContact CG-SD 4.1Å; L161-I213 HydrophobicContact CD1-CG2 4.5Å
162	P	98.3	Very high	98.2	Very high	84 Å²	84	42.4 Å²	42.4	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-55.5	-44.1	-179.9	-27.9	35.7	0	0	0	113.2	K158 M164 V165 E166	K158-P162 WeakPolarHBondContact O-CD 3.49Å; P162-M164 VanDerWaalsContact C-N 3.33Å; P162-M164 PolarHBondContact O-N 3.23Å; P162-V165 PolarHBondContact O-N 3.36Å; P162-E166 WeakPolarHBondContact O-CB 3.46Å; P162-E166 PolarHBondContact O-N 3.12Å
163	S	97.7	Very high	98.3	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.161	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-37.1	177.4	177.3	0	0	0	0	112.4	L160 L161 R167	L160-S163 PolarHBondContact O-N 3.26Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.91Å; S163-R167 WeakPolarHBondContact O-CG 3.41Å; S163-R167 PolarHBondContact O-N 3.2Å
164	M	98.6	Very high	98.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-43.1	175.7	-64.8	-175.6	173.8	0	0	111.6	V119 L122 L160 L161 P162 R167 K168 Q169 I172 I213	V119-M164 HydrophobicContact CB-CE 3.83Å; V119-M164 HydrophobicContact CG1-CE 3.51Å; L122-M164 HydrophobicContact CB-CE 4.15Å; L160-M164 PolarHBondContact O-N 3.35Å; L161-M164 WeakPolarHBondContact O-CB 3.29Å; L161-M164 PolarHBondContact O-N 2.87Å; P162-M164 VanDerWaalsContact C-N 3.33Å; P162-M164 PolarHBondContact O-N 3.23Å; M164-R167 PolarHBondContact O-N 3.3Å; M164-K168 PolarHBondContact O-N 2.79Å; M164-Q169 PolarHBondContact O-N 3.29Å; M164-I172 HydrophobicContact CE-CG1 4.45Å; M164-I172 HydrophobicContact SD-CD1 4.11Å; M164-I172 HydrophobicContact SD-CG1 3.9Å; M164-I213 HydrophobicContact CB-CD1 3.86Å; M164-I213 WeakPolarHBondContact O-CD1 3.39Å; M164-I213 HydrophobicContact SD-CG2 4.4Å
165	V	98.6	Very high	98.3	Very high	55 Å²	55	42.2 Å²	42.2	33%	0.333	22%	0.217	S	C	.	.	H	α-helix	trans	-64.9	-45.5	-180	169.5	0	0	0	0	111.2	L161 P162 R167 K168 M208 A211 I213	L161-V165 HydrophobicContact CD1-CG2 4.01Å; L161-V165 HydrophobicContact CG-CG2 4.01Å; L161-V165 WeakPolarHBondContact O-CG2 3.38Å; L161-V165 PolarHBondContact O-N 2.7Å; P162-V165 PolarHBondContact O-N 3.36Å; V165-R167 VanDerWaalsContact C-N 3.27Å; V165-R167 PolarHBondContact O-N 2.75Å; V165-K168 PolarHBondContact O-N 3.49Å; V165-M208 HydrophobicContact CG2-SD 3.96Å; V165-A211 HydrophobicContact CB-CB 4.49Å; V165-A211 HydrophobicContact CG1-CB 4.17Å; V165-A211 HydrophobicContact CG2-CB 4.05Å; V165-I213 HydrophobicContact CG2-CG1 4.33Å
166	E	98.1	Very high	98.3	Very high	166 Å²	166	40.9 Å²	40.9	78%	0.776	21%	0.206	S	C	*	.	H	α-helix	trans	-56.8	-43.1	176.5	-177.2	178	-168.2	0	0	111.5	P162 K168	P162-E166 WeakPolarHBondContact O-CB 3.46Å; P162-E166 PolarHBondContact O-N 3.12Å; E166-K168 VanDerWaalsContact C-N 3.27Å; E166-K168 PolarHBondContact O-N 3.5Å
167	R	97.6	Very high	98.3	Very high	77 Å²	77	41.1 Å²	41.1	29%	0.291	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.6	176.4	-73	169.9	17.8	113.2	-0.8	114.2	D120 S163 M164 V165 Q169	D120-R167 IonicContact OD1-CZ 3.78Å; D120-R167 IonicContact OD1-NH2 2.69Å; D120-R167 PolarHBondContact OD1-NH2 2.69Å; S163-R167 WeakPolarHBondContact O-CG 3.41Å; S163-R167 PolarHBondContact O-N 3.2Å; M164-R167 PolarHBondContact O-N 3.3Å; V165-R167 VanDerWaalsContact C-N 3.27Å; V165-R167 PolarHBondContact O-N 2.75Å; R167-Q169 HydrophobicContact CB-CB 4.39Å; R167-Q169 PolarHBondContact O-N 2.93Å; R167-Q169 VanDerWaalsContact O-N 3.13Å
168	K	97.9	Very high	98.2	Very high	139 Å²	139	41.8 Å²	41.8	60%	0.604	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	35.8	-168.4	-60.5	-171.1	176.8	-172.6	0	113.1	M164 V165 E166 A211 N212	M164-K168 PolarHBondContact O-N 2.79Å; V165-K168 PolarHBondContact O-N 3.49Å; E166-K168 VanDerWaalsContact C-N 3.27Å; E166-K168 PolarHBondContact O-N 3.5Å; K168-A211 CarbonylContact C-O 3.54Å; K168-A211 WeakPolarHBondContact CA-O 3.34Å; K168-N212 WeakPolarHBondContact O-CB 3.43Å; K168-N212 PolarHBondContact O-ND2 3.03Å
169	Q	97.4	Very high	98.2	Very high	95 Å²	95	36 Å²	36	44%	0.444	19%	0.187	S	C	.	.			trans	-152.2	119	-174.7	-176.8	175.3	15.2	0	0	110.3	M164 R167	M164-Q169 PolarHBondContact O-N 3.29Å; R167-Q169 HydrophobicContact CB-CB 4.39Å; R167-Q169 PolarHBondContact O-N 2.93Å; R167-Q169 VanDerWaalsContact O-N 3.13Å
170	G	98.2	Very high	98.1	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	164.2	173	0	0	0	0	0	111.7	D120 I213 K214	D120-G170 CarbonylContact O-C 3.59Å; D120-G170 WeakPolarHBondContact O-CA 3.19Å; G170-I213 WeakPolarHBondContact O-CA 3.45Å; G170-K214 PolarHBondContact O-N 3.45Å
171	H	98.8	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	112.6	178.2	-163.2	163.7	0	0	0	110.1	Y34 D120 V121 L122 K214 T216 V263	Y34-H171 AromaticContact CE1-ND1 3.9Å; Y34-H171 PolarHBondContact OH-ND1 3.19Å; D120-H171 PolarHBondContact O-N 3.05Å; V121-H171 CarbonylContact C-O 3.59Å; V121-H171 VanDerWaalsContact CA-O 3.22Å; V121-H171 WeakPolarHBondContact CA-O 3.39Å; V121-H171 HydrophobicContact CG1-CB 4.4Å; V121-H171 HydrophobicContact CG2-CB 4.18Å; L122-H171 PolarHBondContact N-O 3.26Å; H171-K214 CarbonylContact C-O 3.48Å; H171-K214 VanDerWaalsContact CA-O 3.27Å; H171-K214 WeakPolarHBondContact CA-O 3.26Å; H171-K214 HydrophobicContact CB-CB 4.37Å; H171-K214 PolarHBondContact CD2-O 3.05Å; H171-K214 VanDerWaalsContact CD2-O 3.31Å; H171-T216 PolarHBondContact NE2-OG1 3.03Å; H171-V263 PolarHBondContact CE1-O 3.09Å
172	I	98.9	Very high	98	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.3	179.5	-61.1	159.3	0	0	0	108.7	T157 L161 M164 F201 L204 I213 K214 V215 T216	T157-I172 HydrophobicContact CG2-CD1 3.81Å; T157-I172 HydrophobicContact CG2-CG2 4.13Å; L161-I172 HydrophobicContact CD1-CD1 3.82Å; M164-I172 HydrophobicContact CE-CG1 4.45Å; M164-I172 HydrophobicContact SD-CD1 4.11Å; M164-I172 HydrophobicContact SD-CG1 3.9Å; I172-F201 HydrophobicContact CG2-CD1 4.04Å; I172-F201 HydrophobicContact CG2-CE1 3.49Å; I172-F201 VanDerWaalsContact CG2-CE1 3.49Å; I172-L204 HydrophobicContact CB-CD2 4.49Å; I172-L204 HydrophobicContact CD1-CD2 3.84Å; I172-L204 HydrophobicContact CG2-CD2 4.2Å; I172-I213 HydrophobicContact CD1-CG2 3.88Å; I172-I213 HydrophobicContact CG1-CG2 4.3Å; I172-K214 PolarHBondContact N-O 3.38Å; I172-V215 CarbonylContact O-C 3.41Å; I172-V215 VanDerWaalsContact O-CA 3.27Å; I172-V215 WeakPolarHBondContact O-CA 3.34Å; I172-T216 PolarHBondContact O-N 3.01Å
173	V	98.9	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	-176	-173.3	0	0	0	0	108.2	V121 L122 I123 N124 I175 T216 I218 V263	V121-V173 HydrophobicContact CG1-CG2 3.86Å; L122-V173 WeakPolarHBondContact O-CA 3.23Å; L122-V173 PolarHBondContact O-N 3.32Å; I123-V173 HydrophobicContact CG1-CB 4.32Å; N124-V173 WeakPolarHBondContact CB-O 3.41Å; N124-V173 PolarHBondContact N-O 3.3Å; V173-I175 HydrophobicContact CG1-CD1 4.34Å; V173-T216 CarbonylContact C-O 3.56Å; V173-T216 VanDerWaalsContact CA-O 3.29Å; V173-T216 WeakPolarHBondContact CA-O 3.05Å; V173-I218 HydrophobicContact CG1-CD1 3.89Å; V173-I218 HydrophobicContact CG1-CG1 4.33Å; V173-V263 HydrophobicContact CB-CG2 4.45Å; V173-V263 HydrophobicContact CG1-CG2 4.06Å; V173-V263 HydrophobicContact CG2-CG1 4.35Å; V173-V263 HydrophobicContact CG2-CG2 3.57Å
174	A	98.8	Very high	97.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.3	177	0	0	0	0	0	110.6	S176 T197 F201 T216 V217 I218	A174-S176 PolarHBondContact O-N 3.06Å; A174-T197 HydrophobicContact CB-CG2 4.23Å; A174-F201 HydrophobicContact CB-CD1 4.08Å; A174-F201 HydrophobicContact CB-CD2 3.42Å; A174-F201 VanDerWaalsContact CB-CD2 3.42Å; A174-F201 HydrophobicContact CB-CE1 4.15Å; A174-F201 HydrophobicContact CB-CE2 3.52Å; A174-F201 HydrophobicContact CB-CG 3.75Å; A174-F201 HydrophobicContact CB-CZ 3.9Å; A174-T216 PolarHBondContact N-O 2.87Å; A174-V217 HydrophobicContact CB-CG2 4.37Å; A174-I218 PolarHBondContact O-N 2.88Å
175	I	98.6	Very high	97.5	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	96.8	170.4	-50.8	-53.8	0	0	0	108.3	L49 I123 N124 N125 V173 K194 I218 P220 V259	L49-I175 HydrophobicContact CD2-CD1 4.39Å; L49-I175 HydrophobicContact CD2-CG1 4.34Å; L49-I175 HydrophobicContact CD2-CG2 3.78Å; I123-I175 HydrophobicContact CG2-CD1 4.43Å; I123-I175 HydrophobicContact CG2-CG1 4.28Å; N124-I175 PolarHBondContact O-N 3.3Å; N125-I175 HydrophobicContact CB-CB 4.42Å; N125-I175 HydrophobicContact CB-CG1 3.75Å; V173-I175 HydrophobicContact CG1-CD1 4.34Å; I175-K194 PolarHBondContact O-NZ 2.88Å; I175-I218 HydrophobicContact CD1-CB 4.06Å; I175-I218 HydrophobicContact CD1-CD1 3.99Å; I175-I218 HydrophobicContact CD1-CG1 4.36Å; I175-P220 HydrophobicContact CG2-CG 4.28Å; I175-V259 HydrophobicContact CD1-CG1 4.41Å; I175-V259 HydrophobicContact CD1-CG2 4.14Å
176	S	97.8	Very high	97.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	16%	0.159	C	C	.	.			trans	-85.5	-133.8	173.7	-170.7	0	0	0	0	110.1	A174 K194 I218	A174-S176 PolarHBondContact O-N 3.06Å; S176-K194 PolarHBondContact OG-O 2.91Å; S176-I218 CarbonylContact C-O 3.56Å; S176-I218 WeakPolarHBondContact CA-O 3.31Å; S176-I218 PolarHBondContact N-O 2.9Å
177	S	97.7	Very high	97.2	Very high	6 Å²	6	26 Å²	26	4%	0.042	13%	0.126	C	C	.	.			trans	-164.2	161.2	173.2	-178.8	0	0	0	0	107.8	Q179 G180 S219 P220	S177-Q179 PolarHBondContact O-N 2.98Å; S177-Q179 PolarHBondContact OG-N 2.83Å; S177-G180 WeakPolarHBondContact O-CA 3.24Å; S177-G180 PolarHBondContact O-N 3.39Å; S177-S219 PolarHBondContact O-OG 3.15Å; S177-P220 PolarHBondContact OG-O 3.34Å
178	I	97	Very high	97.2	Very high	15 Å²	15	24 Å²	24	8%	0.077	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-51.7	-28.5	162.1	-164.6	60.4	0	0	0	111.7	G180 K181 I182 P220 L271 T273 P277 V281	I178-G180 PolarHBondContact O-N 2.92Å; I178-K181 PolarHBondContact O-N 3.03Å; I178-I182 HydrophobicContact CG1-CD1 4.06Å; I178-I182 HydrophobicContact CG1-CG1 4.14Å; I178-I182 WeakPolarHBondContact O-CG1 3.41Å; I178-I182 PolarHBondContact O-N 3.05Å; I178-P220 PolarHBondContact N-O 3.49Å; I178-L271 HydrophobicContact CD1-CD2 4.16Å; I178-T273 HydrophobicContact CB-CG2 3.74Å; I178-T273 HydrophobicContact CD1-CG2 3.9Å; I178-T273 HydrophobicContact CG1-CG2 3.86Å; I178-T273 HydrophobicContact CG2-CG2 4.36Å; I178-P277 HydrophobicContact CG1-CB 4.14Å; I178-V281 HydrophobicContact CD1-CG2 3.42Å; I178-V281 VanDerWaalsContact CD1-CG2 3.42Å; I178-V281 HydrophobicContact CG1-CG2 4.46Å
179	Q	97.4	Very high	97.2	Very high	10 Å²	10	17.4 Å²	17.4	5%	0.047	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-70.2	-4.8	174.1	-71.6	177.3	86.3	0	0	114.9	S177 I182 I184 Y190 S191 H195	S177-Q179 PolarHBondContact O-N 2.98Å; S177-Q179 PolarHBondContact OG-N 2.83Å; Q179-I182 CarbonylContact C-O 3.53Å; Q179-I182 WeakPolarHBondContact CA-O 3.43Å; Q179-I184 HydrophobicContact CG-CD1 4.03Å; Q179-I184 HydrophobicContact CG-CG1 4.04Å; Q179-I184 VanDerWaalsContact OE1-CG1 3.24Å; Q179-Y190 HydrophobicContact CB-CD1 4.1Å; Q179-Y190 HydrophobicContact CB-CE1 4.02Å; Q179-Y190 VanDerWaalsContact NE2-CE1 3.35Å; Q179-S191 WeakPolarHBondContact O-CA 3.45Å; Q179-S191 PolarHBondContact OE1-OG 3.49Å; Q179-H195 PolarHBondContact O-CE1 2.91Å; Q179-H195 PolarHBondContact O-ND1 2.96Å
180	G	97.3	Very high	97.2	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-88.3	-5.5	166.9	0	0	0	0	0	113.8	S177 I178 K194 H195	S177-G180 WeakPolarHBondContact O-CA 3.24Å; S177-G180 PolarHBondContact O-N 3.39Å; I178-G180 PolarHBondContact O-N 2.92Å; G180-K194 VanDerWaalsContact CA-C 3.46Å; G180-K194 WeakPolarHBondContact CA-O 3.27Å; G180-H195 VanDerWaalsContact C-CE1 3.5Å; G180-H195 PolarHBondContact O-CD2 2.89Å
181	K	97.3	Very high	97.2	Very high	40 Å²	40	13.5 Å²	13.5	17%	0.174	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-31.5	177.3	-59.2	-69.6	-170.3	171.2	0	112.3	I178 Q198 D269 L271 V281 R284	I178-K181 PolarHBondContact O-N 3.03Å; K181-Q198 HydrophobicContact CD-CG 4.36Å; K181-Q198 VanDerWaalsContact CE-CD 3.46Å; K181-D269 VanDerWaalsContact NZ-CG 3.25Å; K181-D269 IonicContact NZ-OD1 2.96Å; K181-D269 PolarHBondContact NZ-OD1 2.84Å; K181-D269 VanDerWaalsContact NZ-OD1 3.15Å; K181-D269 IonicContact NZ-OD2 3.3Å; K181-D269 PolarHBondContact NZ-OD2 3.42Å; K181-L271 HydrophobicContact CG-CD2 4.22Å; K181-V281 HydrophobicContact CB-CG1 4.15Å; K181-V281 HydrophobicContact CB-CG2 3.96Å; K181-R284 WeakPolarHBondContact O-CD 3.49Å
182	I	97	Very high	97.2	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.041	10%	0.097	C	C	.	.	S	Bend	trans	-132.8	155.5	175.6	59.1	172.6	0	0	0	109.5	I178 Q179 H195 A280 V281 R284 F291	I178-I182 HydrophobicContact CG1-CD1 4.06Å; I178-I182 HydrophobicContact CG1-CG1 4.14Å; I178-I182 WeakPolarHBondContact O-CG1 3.41Å; I178-I182 PolarHBondContact O-N 3.05Å; Q179-I182 CarbonylContact C-O 3.53Å; Q179-I182 WeakPolarHBondContact CA-O 3.43Å; I182-H195 PolarHBondContact O-CE1 3.43Å; I182-A280 HydrophobicContact CD1-CB 3.86Å; I182-V281 HydrophobicContact CG2-CB 4.35Å; I182-V281 HydrophobicContact CG2-CG2 4.04Å; I182-R284 HydrophobicContact CG2-CB 4.09Å; I182-F291 HydrophobicContact CB-CE2 4.09Å; I182-F291 HydrophobicContact CB-CZ 3.9Å; I182-F291 HydrophobicContact CG2-CE2 4.03Å; I182-F291 HydrophobicContact CG2-CZ 4.22Å
183	S	94.6	Very high	97.2	Very high	46 Å²	46	16.1 Å²	16.1	32%	0.322	10%	0.097	S	C	.	.			trans	-108.6	137.4	174.9	-46.2	0	0	0	0	109.7
184	I	94	Very high	97.2	Very high	21 Å²	21	16.5 Å²	16.5	11%	0.108	10%	0.099	C	C	.	.			trans	-114.8	150.7	175	65.8	177.6	0	0	0	110.5	Q179 R187 M295	Q179-I184 HydrophobicContact CG-CD1 4.03Å; Q179-I184 HydrophobicContact CG-CG1 4.04Å; Q179-I184 VanDerWaalsContact OE1-CG1 3.24Å; I184-R187 HydrophobicContact CD1-CG 3.91Å; I184-R187 HydrophobicContact CG1-CB 3.99Å; I184-R187 HydrophobicContact CG1-CG 3.67Å; I184-M295 HydrophobicContact CG2-SD 4.19Å
185	P	95.4	Very high	97.1	Very high	24 Å²	24	19 Å²	19	16%	0.156	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	151.8	178.4	-25.7	34.9	0	0	0	113.2	R187 M295 A299	P185-R187 PolarHBondContact O-N 3.31Å; P185-M295 WeakPolarHBondContact CG-O 3.23Å; P185-A299 HydrophobicContact CB-CB 3.84Å; P185-A299 HydrophobicContact CG-CB 3.77Å
186	F	95.3	Very high	97.2	Very high	20 Å²	20	19.5 Å²	19.5	9%	0.088	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	24.3	177.1	-43.1	-74.2	0	0	0	116	G132 T133 A299 E302 R303	G132-F186 PolarHBondContact N-O 3.26Å; G132-F186 CarbonylContact O-C 3.59Å; G132-F186 VanDerWaalsContact O-C 3.26Å; G132-F186 WeakPolarHBondContact O-CA 3.35Å; G132-F186 WeakPolarHBondContact O-CB 3.47Å; T133-F186 HydrophobicContact CG2-CD1 3.94Å; T133-F186 HydrophobicContact CG2-CE1 4.02Å; F186-A299 HydrophobicContact CE2-CB 4.34Å; F186-A299 HydrophobicContact CZ-CB 4.35Å; F186-E302 HydrophobicContact CD2-CB 4.23Å; F186-E302 WeakPolarHBondContact CD2-OE2 3.48Å; F186-E302 HydrophobicContact CE2-CB 3.69Å; F186-R303 HydrophobicContact CE1-CG 4.32Å; F186-R303 HydrophobicContact CZ-CG 3.85Å
187	R	96.2	Very high	97.2	Very high	21 Å²	21	19.7 Å²	19.7	8%	0.079	12%	0.117	C	C	.	.			trans	-140.7	28.5	-176.9	-56.4	-68	-176.4	-90.9	2.4	111.9	Y130 R131 I184 P185 Y190 S191 D243	Y130-R187 WeakPolarHBondContact O-CD 3.44Å; R131-R187 VanDerWaalsContact CZ-CZ 3.45Å; I184-R187 HydrophobicContact CD1-CG 3.91Å; I184-R187 HydrophobicContact CG1-CB 3.99Å; I184-R187 HydrophobicContact CG1-CG 3.67Å; P185-R187 PolarHBondContact O-N 3.31Å; R187-Y190 PolarHBondContact O-N 2.87Å; R187-S191 WeakPolarHBondContact O-CB 3.1Å; R187-S191 PolarHBondContact O-N 3.04Å; R187-S191 PolarHBondContact O-OG 2.75Å; R187-D243 IonicContact NH2-OD2 3.62Å; R187-D243 PolarHBondContact NH2-OD2 2.92Å
188	S	96.8	Very high	97.2	Very high	34 Å²	34	19.9 Å²	19.9	24%	0.238	12%	0.118	C	C	.	.	H	α-helix	trans	-53.3	-59.9	-173.4	44.1	0	0	0	0	113	Y190 S191 A192	S188-Y190 VanDerWaalsContact C-N 3.28Å; S188-Y190 PolarHBondContact O-N 3.2Å; S188-S191 PolarHBondContact O-N 3.43Å; S188-A192 VanDerWaalsContact O-CB 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.24Å; S188-A192 PolarHBondContact O-N 2.98Å
189	A	97.8	Very high	97.3	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-55.3	-44.8	-178.8	0	0	0	0	0	111.9	Y130 D142 V145 S193	Y130-A189 HydrophobicContact CD1-CB 3.78Å; Y130-A189 HydrophobicContact CD2-CB 4.1Å; Y130-A189 HydrophobicContact CE1-CB 4.16Å; Y130-A189 HydrophobicContact CE2-CB 4.43Å; Y130-A189 HydrophobicContact CG-CB 3.74Å; D142-A189 VanDerWaalsContact OD1-CB 3.26Å; D142-A189 WeakPolarHBondContact OD1-CB 3.34Å; V145-A189 HydrophobicContact CB-CB 4.01Å; V145-A189 HydrophobicContact CG1-CB 4.16Å; V145-A189 WeakPolarHBondContact CG1-O 3.47Å; V145-A189 HydrophobicContact CG2-CB 3.97Å; A189-S193 PolarHBondContact O-N 3.02Å; A189-S193 PolarHBondContact O-OG 3.15Å
190	Y	98.2	Very high	97.3	Very high	15 Å²	15	23 Å²	23	6%	0.059	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-50.9	178.8	-175.5	-104.3	0	0	0	112.3	I128 Q179 R187 S188 A192 S193 K194	I128-Y190 WeakPolarHBondContact O-CD2 3.39Å; I128-Y190 VanDerWaalsContact O-CE2 3.25Å; I128-Y190 WeakPolarHBondContact O-CE2 3.37Å; Q179-Y190 HydrophobicContact CB-CD1 4.1Å; Q179-Y190 HydrophobicContact CB-CE1 4.02Å; Q179-Y190 VanDerWaalsContact NE2-CE1 3.35Å; R187-Y190 PolarHBondContact O-N 2.87Å; S188-Y190 VanDerWaalsContact C-N 3.28Å; S188-Y190 PolarHBondContact O-N 3.2Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 2.91Å; Y190-S193 PolarHBondContact O-N 2.82Å; Y190-S193 PolarHBondContact O-OG 3.31Å; Y190-K194 HydrophobicContact CD1-CG 4.39Å; Y190-K194 HydrophobicContact CD2-CG 4.5Å; Y190-K194 HydrophobicContact CE1-CG 3.97Å; Y190-K194 HydrophobicContact CE2-CD 4.49Å; Y190-K194 HydrophobicContact CE2-CG 4.11Å; Y190-K194 WeakPolarHBondContact O-CG 3.34Å; Y190-K194 PolarHBondContact O-N 3.49Å; Y190-K194 WeakPolarHBondContact OH-CE 3.36Å
191	S	97.9	Very high	97.4	Very high	3 Å²	3	23 Å²	23	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-41.6	-179	-57.7	0	0	0	0	111	Q179 R187 S188 K194 H195	Q179-S191 WeakPolarHBondContact O-CA 3.45Å; Q179-S191 PolarHBondContact OE1-OG 3.49Å; R187-S191 WeakPolarHBondContact O-CB 3.1Å; R187-S191 PolarHBondContact O-N 3.04Å; R187-S191 PolarHBondContact O-OG 2.75Å; S188-S191 PolarHBondContact O-N 3.43Å; S191-K194 PolarHBondContact O-N 3Å; S191-H195 PolarHBondContact O-N 2.93Å; S191-H195 PolarHBondContact O-ND1 2.81Å
192	A	98.4	Very high	97.5	Very high	55 Å²	55	23.8 Å²	23.8	46%	0.455	15%	0.147	S	C	.	.	H	α-helix	trans	-58.3	-51.3	175.1	0	0	0	0	0	110.9	S188 Y190 K194 H195 A196	S188-A192 VanDerWaalsContact O-CB 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.24Å; S188-A192 PolarHBondContact O-N 2.98Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 2.91Å; A192-K194 VanDerWaalsContact C-N 3.32Å; A192-K194 PolarHBondContact O-N 3.43Å; A192-H195 PolarHBondContact O-N 3.36Å; A192-A196 PolarHBondContact O-N 3.21Å
193	S	98.6	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-41	178.7	73.6	0	0	0	0	113.1	M146 N149 A189 Y190 A196 T197	M146-S193 WeakPolarHBondContact SD-CA 3.26Å; N149-S193 WeakPolarHBondContact CB-OG 3.29Å; N149-S193 PolarHBondContact ND2-OG 2.93Å; A189-S193 PolarHBondContact O-N 3.02Å; A189-S193 PolarHBondContact O-OG 3.15Å; Y190-S193 PolarHBondContact O-N 2.82Å; Y190-S193 PolarHBondContact O-OG 3.31Å; S193-A196 WeakPolarHBondContact O-CB 3.43Å; S193-A196 PolarHBondContact O-N 2.9Å; S193-T197 PolarHBondContact O-N 2.88Å; S193-T197 PolarHBondContact O-OG1 3.38Å
194	K	98.4	Very high	97.7	Very high	9 Å²	9	25 Å²	25	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-74.4	-27.8	-179.7	-65	-53.8	-169.6	176.7	0	113.3	I175 S176 G180 Y190 S191 A192 Q198	I175-K194 PolarHBondContact O-NZ 2.88Å; S176-K194 PolarHBondContact OG-O 2.91Å; G180-K194 VanDerWaalsContact CA-C 3.46Å; G180-K194 WeakPolarHBondContact CA-O 3.27Å; Y190-K194 HydrophobicContact CD1-CG 4.39Å; Y190-K194 HydrophobicContact CD2-CG 4.5Å; Y190-K194 HydrophobicContact CE1-CG 3.97Å; Y190-K194 HydrophobicContact CE2-CD 4.49Å; Y190-K194 HydrophobicContact CE2-CG 4.11Å; Y190-K194 WeakPolarHBondContact O-CG 3.34Å; Y190-K194 PolarHBondContact O-N 3.49Å; Y190-K194 WeakPolarHBondContact OH-CE 3.36Å; S191-K194 PolarHBondContact O-N 3Å; A192-K194 VanDerWaalsContact C-N 3.32Å; A192-K194 PolarHBondContact O-N 3.43Å; K194-Q198 PolarHBondContact O-N 2.93Å
195	H	98.6	Very high	97.9	Very high	52 Å²	52	25.4 Å²	25.4	24%	0.241	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-41	168.5	-78.1	74.1	0	0	0	111.1	Q179 G180 I182 S191 A192 Q198 A199	Q179-H195 PolarHBondContact O-CE1 2.91Å; Q179-H195 PolarHBondContact O-ND1 2.96Å; G180-H195 VanDerWaalsContact C-CE1 3.5Å; G180-H195 PolarHBondContact O-CD2 2.89Å; I182-H195 PolarHBondContact O-CE1 3.43Å; S191-H195 PolarHBondContact O-N 2.93Å; S191-H195 PolarHBondContact O-ND1 2.81Å; A192-H195 PolarHBondContact O-N 3.36Å; H195-Q198 WeakPolarHBondContact O-CB 3.46Å; H195-Q198 PolarHBondContact O-N 3.07Å; H195-A199 PolarHBondContact O-N 2.9Å
196	A	98.7	Very high	98.1	Very high	25 Å²	25	27.9 Å²	27.9	21%	0.207	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-43.9	174.9	0	0	0	0	0	111.5	M146 Y150 A192 S193 Q198 A199 F200	M146-A196 HydrophobicContact CE-CB 3.96Å; Y150-A196 HydrophobicContact CD2-CB 3.65Å; Y150-A196 HydrophobicContact CE2-CB 3.89Å; Y150-A196 WeakPolarHBondContact CE2-O 3.28Å; Y150-A196 HydrophobicContact CG-CB 4Å; A192-A196 PolarHBondContact O-N 3.21Å; S193-A196 WeakPolarHBondContact O-CB 3.43Å; S193-A196 PolarHBondContact O-N 2.9Å; A196-Q198 VanDerWaalsContact C-N 3.35Å; A196-Q198 PolarHBondContact O-N 3.41Å; A196-A199 PolarHBondContact O-N 3.2Å; A196-F200 PolarHBondContact O-N 2.94Å
197	T	98.3	Very high	98.2	Very high	5 Å²	5	33 Å²	33	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-53.5	-51.5	170.5	-55.6	0	0	0	0	110.6	N149 A174 S193 A199 F200 F201	N149-T197 PolarHBondContact O-OG1 3.5Å; A174-T197 HydrophobicContact CB-CG2 4.23Å; S193-T197 PolarHBondContact O-N 2.88Å; S193-T197 PolarHBondContact O-OG1 3.38Å; T197-A199 PolarHBondContact O-N 3.18Å; T197-F200 PolarHBondContact O-N 2.92Å; T197-F201 HydrophobicContact CG2-CD2 3.61Å; T197-F201 HydrophobicContact CG2-CE2 3.76Å; T197-F201 VanDerWaalsContact O-CD2 3.22Å; T197-F201 WeakPolarHBondContact O-CD2 3.49Å; T197-F201 PolarHBondContact O-N 3.31Å
198	Q	98.2	Very high	98.3	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-55.6	-52.3	-179.1	-174.2	66.7	49.5	0	0	111.7	K181 K194 H195 A196 F200 F201 D202 V217	K181-Q198 HydrophobicContact CD-CG 4.36Å; K181-Q198 VanDerWaalsContact CE-CD 3.46Å; K194-Q198 PolarHBondContact O-N 2.93Å; H195-Q198 WeakPolarHBondContact O-CB 3.46Å; H195-Q198 PolarHBondContact O-N 3.07Å; A196-Q198 VanDerWaalsContact C-N 3.35Å; A196-Q198 PolarHBondContact O-N 3.41Å; Q198-F200 PolarHBondContact O-N 3.47Å; Q198-F201 PolarHBondContact O-N 3.29Å; Q198-D202 PolarHBondContact NE2-OD1 2.82Å; Q198-D202 VanDerWaalsContact NE2-OD1 3.12Å; Q198-D202 PolarHBondContact NE2-OD2 3.31Å; Q198-D202 WeakPolarHBondContact O-CB 3.39Å; Q198-D202 PolarHBondContact O-N 3.29Å; Q198-V217 VanDerWaalsContact OE1-CG1 3.25Å
199	A	98.6	Very high	98.3	Very high	57 Å²	57	36 Å²	36	47%	0.471	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-46.5	-178.4	0	0	0	0	0	112.1	H195 A196 T197 F201 D202 C203	H195-A199 PolarHBondContact O-N 2.9Å; A196-A199 PolarHBondContact O-N 3.2Å; T197-A199 PolarHBondContact O-N 3.18Å; A199-F201 PolarHBondContact O-N 2.95Å; A199-D202 PolarHBondContact O-N 3.02Å; A199-C203 PolarHBondContact O-N 2.92Å; A199-C203 PolarHBondContact O-SG 3.06Å
200	F	98.8	Very high	98.2	Very high	34 Å²	34	44.9 Å²	44.9	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-47.2	179.6	173.7	-91.8	0	0	0	112.7	Y150 V154 A196 T197 Q198 D202 C203 L204	Y150-F200 HydrophobicContact CE2-CB 3.73Å; Y150-F200 HydrophobicContact CE2-CG 4.29Å; V154-F200 HydrophobicContact CB-CE1 4.35Å; V154-F200 HydrophobicContact CB-CE2 4.39Å; V154-F200 HydrophobicContact CB-CZ 4.18Å; V154-F200 HydrophobicContact CG1-CD2 4.32Å; V154-F200 HydrophobicContact CG1-CE1 4.42Å; V154-F200 HydrophobicContact CG1-CE2 3.7Å; V154-F200 HydrophobicContact CG1-CZ 3.76Å; V154-F200 HydrophobicContact CG2-CB 4.5Å; V154-F200 HydrophobicContact CG2-CD1 3.69Å; V154-F200 HydrophobicContact CG2-CD2 3.86Å; V154-F200 HydrophobicContact CG2-CE1 3.78Å; V154-F200 HydrophobicContact CG2-CE2 3.94Å; V154-F200 HydrophobicContact CG2-CG 3.73Å; V154-F200 HydrophobicContact CG2-CZ 3.91Å; A196-F200 PolarHBondContact O-N 2.94Å; T197-F200 PolarHBondContact O-N 2.92Å; Q198-F200 PolarHBondContact O-N 3.47Å; F200-D202 VanDerWaalsContact C-N 3.25Å; F200-D202 PolarHBondContact O-N 3.23Å; F200-C203 PolarHBondContact O-N 3.39Å; F200-L204 HydrophobicContact CE1-CD2 4.38Å; F200-L204 WeakPolarHBondContact O-CB 3.35Å; F200-L204 PolarHBondContact O-N 2.96Å
201	F	98.7	Very high	98.2	Very high	2 Å²	2	45 Å²	45	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-72.9	-20.5	-179.8	-75.1	-74.3	0	0	0	112.6	T157 I172 A174 T197 Q198 A199 L204 R205 V215 V217	T157-F201 HydrophobicContact CG2-CE1 4.36Å; I172-F201 HydrophobicContact CG2-CD1 4.04Å; I172-F201 HydrophobicContact CG2-CE1 3.49Å; I172-F201 VanDerWaalsContact CG2-CE1 3.49Å; A174-F201 HydrophobicContact CB-CD1 4.08Å; A174-F201 HydrophobicContact CB-CD2 3.42Å; A174-F201 VanDerWaalsContact CB-CD2 3.42Å; A174-F201 HydrophobicContact CB-CE1 4.15Å; A174-F201 HydrophobicContact CB-CE2 3.52Å; A174-F201 HydrophobicContact CB-CG 3.75Å; A174-F201 HydrophobicContact CB-CZ 3.9Å; T197-F201 HydrophobicContact CG2-CD2 3.61Å; T197-F201 HydrophobicContact CG2-CE2 3.76Å; T197-F201 VanDerWaalsContact O-CD2 3.22Å; T197-F201 WeakPolarHBondContact O-CD2 3.49Å; T197-F201 PolarHBondContact O-N 3.31Å; Q198-F201 PolarHBondContact O-N 3.29Å; A199-F201 PolarHBondContact O-N 2.95Å; F201-L204 HydrophobicContact CD1-CD2 3.69Å; F201-L204 HydrophobicContact CE1-CD2 3.92Å; F201-R205 WeakPolarHBondContact O-CB 3.15Å; F201-R205 PolarHBondContact O-N 3.18Å; F201-R205 VanDerWaalsContact O-N 3.07Å; F201-V215 HydrophobicContact CB-CG1 4.1Å; F201-V215 HydrophobicContact CD1-CG1 4.01Å; F201-V217 HydrophobicContact CB-CG2 3.47Å; F201-V217 VanDerWaalsContact CB-CG2 3.47Å; F201-V217 HydrophobicContact CG-CG2 4.31Å
202	D	98.4	Very high	98.1	Very high	56 Å²	56	48.6 Å²	48.6	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-71.6	-42.4	170.3	-69.4	-21.5	0	0	0	111.9	Q198 A199 F200 R205 A206	Q198-D202 PolarHBondContact NE2-OD1 2.82Å; Q198-D202 VanDerWaalsContact NE2-OD1 3.12Å; Q198-D202 PolarHBondContact NE2-OD2 3.31Å; Q198-D202 WeakPolarHBondContact O-CB 3.39Å; Q198-D202 PolarHBondContact O-N 3.29Å; A199-D202 PolarHBondContact O-N 3.02Å; F200-D202 VanDerWaalsContact C-N 3.25Å; F200-D202 PolarHBondContact O-N 3.23Å; D202-R205 PolarHBondContact O-N 3.35Å; D202-R205 IonicContact OD1-CZ 2.86Å; D202-R205 VanDerWaalsContact OD1-CZ 3.3Å; D202-R205 IonicContact OD1-NH1 2.91Å; D202-R205 PolarHBondContact OD1-NH1 2.93Å; D202-R205 IonicContact OD1-NH2 2.85Å; D202-R205 PolarHBondContact OD1-NH2 2.95Å; D202-A206 PolarHBondContact O-N 3.29Å
203	C	98.7	Very high	98.2	Very high	69 Å²	69	46.1 Å²	46.1	47%	0.466	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-51.9	170.4	-65.9	0	0	0	0	111.5	A199 F200 R205 A206 E207	A199-C203 PolarHBondContact O-N 2.92Å; A199-C203 PolarHBondContact O-SG 3.06Å; F200-C203 PolarHBondContact O-N 3.39Å; C203-R205 PolarHBondContact O-N 2.89Å; C203-R205 VanDerWaalsContact O-N 3.15Å; C203-A206 PolarHBondContact O-N 3.49Å; C203-E207 WeakPolarHBondContact O-CG 3.39Å; C203-E207 PolarHBondContact O-N 3Å
204	L	98.7	Very high	98.2	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-54.1	-39.5	179	-176.6	72.1	0	0	0	111.9	T157 L161 I172 F200 F201 M208 V215	T157-L204 HydrophobicContact CG2-CD2 3.76Å; L161-L204 HydrophobicContact CD2-CD1 3.88Å; I172-L204 HydrophobicContact CB-CD2 4.49Å; I172-L204 HydrophobicContact CD1-CD2 3.84Å; I172-L204 HydrophobicContact CG2-CD2 4.2Å; F200-L204 HydrophobicContact CE1-CD2 4.38Å; F200-L204 WeakPolarHBondContact O-CB 3.35Å; F200-L204 PolarHBondContact O-N 2.96Å; F201-L204 HydrophobicContact CD1-CD2 3.69Å; F201-L204 HydrophobicContact CE1-CD2 3.92Å; L204-M208 HydrophobicContact CD1-CG 3.64Å; L204-M208 HydrophobicContact CD1-SD 4.5Å; L204-M208 HydrophobicContact CG-CG 4.07Å; L204-M208 VanDerWaalsContact O-CB 3.26Å; L204-M208 WeakPolarHBondContact O-CB 3.43Å; L204-M208 WeakPolarHBondContact O-CG 3.33Å; L204-M208 PolarHBondContact O-N 3.31Å; L204-V215 HydrophobicContact CD2-CG2 4.08Å; L204-V215 HydrophobicContact CG-CG2 4.12Å
205	R	98.2	Very high	98.2	Very high	30 Å²	30	48.1 Å²	48.1	11%	0.113	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-43.1	178.2	-170.9	-178.8	-49.1	100.7	-2.4	112.4	F201 D202 C203 V215 K268	F201-R205 WeakPolarHBondContact O-CB 3.15Å; F201-R205 PolarHBondContact O-N 3.18Å; F201-R205 VanDerWaalsContact O-N 3.07Å; D202-R205 PolarHBondContact O-N 3.35Å; D202-R205 IonicContact OD1-CZ 2.86Å; D202-R205 VanDerWaalsContact OD1-CZ 3.3Å; D202-R205 IonicContact OD1-NH1 2.91Å; D202-R205 PolarHBondContact OD1-NH1 2.93Å; D202-R205 IonicContact OD1-NH2 2.85Å; D202-R205 PolarHBondContact OD1-NH2 2.95Å; C203-R205 PolarHBondContact O-N 2.89Å; C203-R205 VanDerWaalsContact O-N 3.15Å; R205-V215 HydrophobicContact CB-CB 3.79Å; R205-V215 HydrophobicContact CB-CG1 4.27Å; R205-V215 HydrophobicContact CB-CG2 4.14Å; R205-V215 HydrophobicContact CG-CB 3.95Å; R205-V215 HydrophobicContact CG-CG2 4.48Å; R205-V215 PolarHBondContact NE-O 3.35Å; R205-V215 VanDerWaalsContact NE-O 3.07Å; R205-K268 PolarHBondContact NH2-O 3.33Å
206	A	98.3	Very high	98.2	Very high	75 Å²	75	45.7 Å²	45.7	62%	0.62	25%	0.253	S	S	*	.	H	α-helix	trans	-68.8	-46.4	-179.7	0	0	0	0	0	110.6	D202 C203 M208	D202-A206 PolarHBondContact O-N 3.29Å; C203-A206 PolarHBondContact O-N 3.49Å; A206-M208 PolarHBondContact O-N 2.87Å
207	E	98.4	Very high	98.2	Very high	129 Å²	129	44.5 Å²	44.5	60%	0.603	24%	0.243	S	C	*	.	H	α-helix	trans	-66	-37.1	-178.1	-67.8	171.6	-153.7	0	0	112.5	C203	C203-E207 WeakPolarHBondContact O-CG 3.39Å; C203-E207 PolarHBondContact O-N 3Å
208	M	98.3	Very high	98.2	Very high	30 Å²	30	44.3 Å²	44.3	15%	0.148	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.3	-173.9	-57.6	-66.3	101.2	0	0	115	L161 V165 L204 A206 E210 A211 N212 I213	L161-M208 HydrophobicContact CD1-CG 4.18Å; L161-M208 HydrophobicContact CD1-SD 3.77Å; L161-M208 HydrophobicContact CD2-SD 3.79Å; L161-M208 HydrophobicContact CG-SD 4.1Å; V165-M208 HydrophobicContact CG2-SD 3.96Å; L204-M208 HydrophobicContact CD1-CG 3.64Å; L204-M208 HydrophobicContact CD1-SD 4.5Å; L204-M208 HydrophobicContact CG-CG 4.07Å; L204-M208 VanDerWaalsContact O-CB 3.26Å; L204-M208 WeakPolarHBondContact O-CB 3.43Å; L204-M208 WeakPolarHBondContact O-CG 3.33Å; L204-M208 PolarHBondContact O-N 3.31Å; A206-M208 PolarHBondContact O-N 2.87Å; M208-E210 VanDerWaalsContact C-N 3.32Å; M208-E210 PolarHBondContact O-N 3.09Å; M208-A211 PolarHBondContact O-N 2.89Å; M208-N212 PolarHBondContact O-N 3.47Å; M208-I213 HydrophobicContact CB-CB 3.83Å; M208-I213 HydrophobicContact CB-CG1 4.23Å; M208-I213 PolarHBondContact O-N 3.49Å; M208-I213 VanDerWaalsContact O-N 3.14Å
209	E	95.6	Very high	98.2	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.411	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-41.7	178.3	-172.4	74.6	-122.9	0	0	110.9	A211 N212 K214 K268	E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.12Å; E209-N212 PolarHBondContact O-N 3.18Å; E209-K214 IonicContact OE1-NZ 3.38Å; E209-K268 IonicContact OE2-NZ 3.76Å; E209-K268 PolarHBondContact OE2-NZ 3.41Å
210	E	95.8	Very high	98.2	Very high	188 Å²	188	41.4 Å²	41.4	88%	0.879	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-30	177.3	-63.7	-172.3	169.5	0	0	113.2	M208 N212	M208-E210 VanDerWaalsContact C-N 3.32Å; M208-E210 PolarHBondContact O-N 3.09Å; E210-N212 PolarHBondContact O-N 3.32Å
211	A	97.9	Very high	98	Very high	16 Å²	16	40.8 Å²	40.8	13%	0.132	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.1	175	0	0	0	0	0	113	V165 K168 M208 E209 I213	V165-A211 HydrophobicContact CB-CB 4.49Å; V165-A211 HydrophobicContact CG1-CB 4.17Å; V165-A211 HydrophobicContact CG2-CB 4.05Å; K168-A211 CarbonylContact C-O 3.54Å; K168-A211 WeakPolarHBondContact CA-O 3.34Å; M208-A211 PolarHBondContact O-N 2.89Å; E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.12Å; A211-I213 HydrophobicContact CB-CG1 3.97Å; A211-I213 WeakPolarHBondContact O-CD1 3.34Å; A211-I213 PolarHBondContact O-N 3.37Å
212	N	97.7	Very high	97.9	Very high	80 Å²	80	43.9 Å²	43.9	43%	0.428	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	29.3	-177.2	-174.4	45.2	0	0	0	114	K168 M208 E209 E210 K214	K168-N212 WeakPolarHBondContact O-CB 3.43Å; K168-N212 PolarHBondContact O-ND2 3.03Å; M208-N212 PolarHBondContact O-N 3.47Å; E209-N212 PolarHBondContact O-N 3.18Å; E210-N212 PolarHBondContact O-N 3.32Å; N212-K214 VanDerWaalsContact OD1-CE 3.23Å; N212-K214 WeakPolarHBondContact OD1-CE 3.29Å; N212-K214 PolarHBondContact OD1-NZ 3.01Å
213	I	98.6	Very high	97.8	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.1	175.3	-45.2	-51.9	0	0	0	108.9	L161 M164 V165 G170 I172 M208 A211	L161-I213 HydrophobicContact CD1-CG2 4.5Å; M164-I213 HydrophobicContact CB-CD1 3.86Å; M164-I213 WeakPolarHBondContact O-CD1 3.39Å; M164-I213 HydrophobicContact SD-CG2 4.4Å; V165-I213 HydrophobicContact CG2-CG1 4.33Å; G170-I213 WeakPolarHBondContact O-CA 3.45Å; I172-I213 HydrophobicContact CD1-CG2 3.88Å; I172-I213 HydrophobicContact CG1-CG2 4.3Å; M208-I213 HydrophobicContact CB-CB 3.83Å; M208-I213 HydrophobicContact CB-CG1 4.23Å; M208-I213 PolarHBondContact O-N 3.49Å; M208-I213 VanDerWaalsContact O-N 3.14Å; A211-I213 HydrophobicContact CB-CG1 3.97Å; A211-I213 WeakPolarHBondContact O-CD1 3.34Å; A211-I213 PolarHBondContact O-N 3.37Å
214	K	98.6	Very high	97.6	Very high	45 Å²	45	43.6 Å²	43.6	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.2	-179.9	-52.2	-52.3	169.1	-160.4	0	109.7	G170 H171 I172 E209 N212 K266	G170-K214 PolarHBondContact O-N 3.45Å; H171-K214 CarbonylContact C-O 3.48Å; H171-K214 VanDerWaalsContact CA-O 3.27Å; H171-K214 WeakPolarHBondContact CA-O 3.26Å; H171-K214 HydrophobicContact CB-CB 4.37Å; H171-K214 PolarHBondContact CD2-O 3.05Å; H171-K214 VanDerWaalsContact CD2-O 3.31Å; I172-K214 PolarHBondContact N-O 3.38Å; E209-K214 IonicContact OE1-NZ 3.38Å; N212-K214 VanDerWaalsContact OD1-CE 3.23Å; N212-K214 WeakPolarHBondContact OD1-CE 3.29Å; N212-K214 PolarHBondContact OD1-NZ 3.01Å; K214-K266 HydrophobicContact CG-CD 4.24Å
215	V	98.8	Very high	97.4	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120	176.5	-175.2	0	0	0	0	110	I172 F201 L204 R205	I172-V215 CarbonylContact O-C 3.41Å; I172-V215 VanDerWaalsContact O-CA 3.27Å; I172-V215 WeakPolarHBondContact O-CA 3.34Å; F201-V215 HydrophobicContact CB-CG1 4.1Å; F201-V215 HydrophobicContact CD1-CG1 4.01Å; L204-V215 HydrophobicContact CD2-CG2 4.08Å; L204-V215 HydrophobicContact CG-CG2 4.12Å; R205-V215 HydrophobicContact CB-CB 3.79Å; R205-V215 HydrophobicContact CB-CG1 4.27Å; R205-V215 HydrophobicContact CB-CG2 4.14Å; R205-V215 HydrophobicContact CG-CB 3.95Å; R205-V215 HydrophobicContact CG-CG2 4.48Å; R205-V215 PolarHBondContact NE-O 3.35Å; R205-V215 VanDerWaalsContact NE-O 3.07Å
216	T	98.8	Very high	97.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	176.2	-61.4	0	0	0	0	109.8	H171 I172 V173 A174 I218 K267 K268 V270	H171-T216 PolarHBondContact NE2-OG1 3.03Å; I172-T216 PolarHBondContact O-N 3.01Å; V173-T216 CarbonylContact C-O 3.56Å; V173-T216 VanDerWaalsContact CA-O 3.29Å; V173-T216 WeakPolarHBondContact CA-O 3.05Å; A174-T216 PolarHBondContact N-O 2.87Å; T216-I218 HydrophobicContact CG2-CD1 4.13Å; T216-I218 HydrophobicContact CG2-CG1 3.7Å; T216-K267 WeakPolarHBondContact CA-O 3.39Å; T216-K267 WeakPolarHBondContact CB-O 3.48Å; T216-K267 VanDerWaalsContact CG2-O 3.25Å; T216-K267 WeakPolarHBondContact CG2-O 3.26Å; T216-K267 PolarHBondContact OG1-O 3.29Å; T216-K268 WeakPolarHBondContact CA-O 3.4Å; T216-V270 HydrophobicContact CG2-CG2 4.22Å
217	V	98.8	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.9	169	-175.1	0	0	0	0	108.8	A174 Q198 F201 K268 V270	A174-V217 HydrophobicContact CB-CG2 4.37Å; Q198-V217 VanDerWaalsContact OE1-CG1 3.25Å; F201-V217 HydrophobicContact CB-CG2 3.47Å; F201-V217 VanDerWaalsContact CB-CG2 3.47Å; F201-V217 HydrophobicContact CG-CG2 4.31Å; V217-K268 PolarHBondContact N-O 3.25Å; V217-V270 PolarHBondContact O-N 3.23Å
218	I	98.7	Very high	96.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122	-178.3	-53	-176.9	0	0	0	108.1	V173 A174 I175 S176 T216 P220 V259 A262 V270 L272	V173-I218 HydrophobicContact CG1-CD1 3.89Å; V173-I218 HydrophobicContact CG1-CG1 4.33Å; A174-I218 PolarHBondContact O-N 2.88Å; I175-I218 HydrophobicContact CD1-CB 4.06Å; I175-I218 HydrophobicContact CD1-CD1 3.99Å; I175-I218 HydrophobicContact CD1-CG1 4.36Å; S176-I218 CarbonylContact C-O 3.56Å; S176-I218 WeakPolarHBondContact CA-O 3.31Å; S176-I218 PolarHBondContact N-O 2.9Å; T216-I218 HydrophobicContact CG2-CD1 4.13Å; T216-I218 HydrophobicContact CG2-CG1 3.7Å; I218-P220 VanDerWaalsContact C-CD 3.44Å; I218-P220 WeakPolarHBondContact O-CD 3.33Å; I218-V259 HydrophobicContact CD1-CB 3.95Å; I218-V259 HydrophobicContact CD1-CG1 3.73Å; I218-V259 HydrophobicContact CD1-CG2 3.68Å; I218-V259 HydrophobicContact CG2-CG2 4.36Å; I218-A262 HydrophobicContact CD1-CB 4.31Å; I218-V270 HydrophobicContact CG1-CB 4.47Å; I218-L272 HydrophobicContact CG2-CD1 3.42Å; I218-L272 VanDerWaalsContact CG2-CD1 3.42Å; I218-L272 HydrophobicContact CG2-CG 3.85Å
219	S	98.4	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	82.3	-178.2	-66.3	0	0	0	0	109.8	S177 V270 L272	S177-S219 PolarHBondContact O-OG 3.15Å; S219-V270 PolarHBondContact N-O 3.26Å; S219-L272 PolarHBondContact O-N 3.12Å
220	P	97.5	Very high	96.2	Very high	7 Å²	7	40 Å²	40	5%	0.045	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	154.6	177.4	30.4	-35.3	0	0	0	112.5	I175 S177 I178 I218 I223 V255 L272	I175-P220 HydrophobicContact CG2-CG 4.28Å; S177-P220 PolarHBondContact OG-O 3.34Å; I178-P220 PolarHBondContact N-O 3.49Å; I218-P220 VanDerWaalsContact C-CD 3.44Å; I218-P220 WeakPolarHBondContact O-CD 3.33Å; P220-I223 HydrophobicContact CB-CD1 3.88Å; P220-I223 HydrophobicContact CB-CG1 4.21Å; P220-I223 HydrophobicContact CG-CD1 4.08Å; P220-V255 HydrophobicContact CB-CG1 4.42Å; P220-L272 WeakPolarHBondContact CA-O 3.49Å; P220-L272 HydrophobicContact CB-CB 4.35Å
221	G	96.3	Very high	96.1	Very high	21 Å²	21	31 Å²	31	22%	0.216	17%	0.165	C	C	.	.			trans	-74.7	-144.4	163.8	0	0	0	0	0	112.1	L272 T273	G221-L272 PolarHBondContact N-O 3.23Å; G221-T273 VanDerWaalsContact N-CG2 3.29Å
222	Y	95.3	Very high	96	Very high	68 Å²	68	30.9 Å²	30.9	27%	0.267	16%	0.162	S	C	.	.			trans	-76.9	133.3	173.9	-64.6	-76.4	0	0	0	110.6	N245 G249 R250	Y222-N245 WeakPolarHBondContact CB-O 3.25Å; Y222-N245 HydrophobicContact CD1-CB 3.86Å; Y222-N245 HydrophobicContact CD2-CB 3.79Å; Y222-N245 HydrophobicContact CE1-CB 3.71Å; Y222-N245 HydrophobicContact CE2-CB 3.62Å; Y222-N245 HydrophobicContact CG-CB 3.9Å; Y222-N245 PolarHBondContact OH-ND2 3.28Å; Y222-G249 CarbonylContact O-C 3.57Å; Y222-G249 VanDerWaalsContact O-CA 3.22Å; Y222-G249 WeakPolarHBondContact O-CA 3.48Å; Y222-R250 PolarHBondContact O-N 3.3Å
223	I	96.4	Very high	96	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.108	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.5	176	-45.7	177.2	0	0	0	107.6	L49 P220 T225 T246 R250 A252 V255	L49-I223 HydrophobicContact CB-CD1 4.41Å; L49-I223 HydrophobicContact CD2-CD1 3.96Å; P220-I223 HydrophobicContact CB-CD1 3.88Å; P220-I223 HydrophobicContact CB-CG1 4.21Å; P220-I223 HydrophobicContact CG-CD1 4.08Å; I223-T225 HydrophobicContact CB-CG2 4.2Å; I223-T225 HydrophobicContact CG2-CG2 3.77Å; I223-T225 PolarHBondContact O-N 2.88Å; I223-T225 PolarHBondContact O-OG1 2.81Å; I223-T246 VanDerWaalsContact O-CG2 3.28Å; I223-T246 WeakPolarHBondContact O-CG2 3.44Å; I223-R250 CarbonylContact C-O 3.26Å; I223-R250 WeakPolarHBondContact CA-O 3.19Å; I223-R250 WeakPolarHBondContact CG2-O 3.5Å; I223-A252 HydrophobicContact CG2-CB 4.03Å; I223-V255 HydrophobicContact CD1-CB 4.29Å; I223-V255 HydrophobicContact CD1-CG1 3.79Å; I223-V255 HydrophobicContact CD1-CG2 4.37Å; I223-V255 HydrophobicContact CG1-CG1 4.45Å; I223-V255 HydrophobicContact CG1-CG2 4.2Å; I223-V255 HydrophobicContact CG2-CG2 4.26Å
224	H	95.6	Very high	95.9	Very high	97 Å²	97	28.9 Å²	28.9	45%	0.449	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	93.3	177.3	-168	107.7	0	0	0	110.6	T246 A247 R250	H224-T246 VanDerWaalsContact CA-O 3.28Å; H224-T246 WeakPolarHBondContact CA-O 3.39Å; H224-A247 PolarHBondContact CE1-O 2.85Å; H224-A247 WeakPolarHBondContact ND1-CA 3.24Å; H224-A247 PolarHBondContact ND1-O 3.35Å; H224-R250 PolarHBondContact N-O 3.36Å
225	T	94.3	Very high	95.7	Very high	21 Å²	21	31.6 Å²	31.6	13%	0.129	17%	0.171	C	C	.	.	S	Bend	trans	-150.5	168.5	-176.8	62.4	0	0	0	0	110.6	I223 L227 T246 A252	I223-T225 HydrophobicContact CB-CG2 4.2Å; I223-T225 HydrophobicContact CG2-CG2 3.77Å; I223-T225 PolarHBondContact O-N 2.88Å; I223-T225 PolarHBondContact O-OG1 2.81Å; T225-L227 PolarHBondContact O-N 3.35Å; T225-L227 VanDerWaalsContact OG1-CB 3.3Å; T225-L227 WeakPolarHBondContact OG1-CB 3.22Å; T225-L227 PolarHBondContact OG1-N 3.47Å; T225-T246 WeakPolarHBondContact O-CG2 3.38Å; T225-A252 HydrophobicContact CG2-CB 4.03Å
226	N	92.9	Very high	95.6	Very high	102 Å²	102	32.6 Å²	32.6	55%	0.545	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	10.8	172.7	-66.7	-25.4	0	0	0	114	S228 V229 N230	N226-S228 VanDerWaalsContact C-N 3.3Å; N226-S228 PolarHBondContact O-N 3.01Å; N226-V229 HydrophobicContact CB-CB 4.43Å; N226-V229 PolarHBondContact O-N 2.8Å; N226-N230 WeakPolarHBondContact O-CB 3.13Å; N226-N230 PolarHBondContact O-N 3.23Å; N226-N230 PolarHBondContact O-ND2 3.25Å
227	L	91.8	Very high	95.4	Very high	65 Å²	65	35.4 Å²	35.4	34%	0.34	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.9	-178.3	-179	65.4	0	0	0	112.8	T225 A231	T225-L227 PolarHBondContact O-N 3.35Å; T225-L227 VanDerWaalsContact OG1-CB 3.3Å; T225-L227 WeakPolarHBondContact OG1-CB 3.22Å; T225-L227 PolarHBondContact OG1-N 3.47Å; L227-A231 PolarHBondContact O-N 3.35Å
228	S	91.2	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-43.1	175.8	55.3	0	0	0	0	111.7	N226 N230 A231 Y239 A241 L242 D243	N226-S228 VanDerWaalsContact C-N 3.3Å; N226-S228 PolarHBondContact O-N 3.01Å; S228-N230 PolarHBondContact O-N 3.43Å; S228-A231 WeakPolarHBondContact O-CB 3.25Å; S228-A231 PolarHBondContact O-N 2.91Å; S228-Y239 VanDerWaalsContact O-CD1 3.27Å; S228-Y239 WeakPolarHBondContact O-CD1 3.15Å; S228-A241 CarbonylContact C-O 3.57Å; S228-A241 PolarHBondContact OG-O 2.98Å; S228-L242 WeakPolarHBondContact OG-CD1 3.29Å; S228-D243 PolarHBondContact OG-N 3.3Å
229	V	93	Very high	95	Very high	24 Å²	24	46.7 Å²	46.7	15%	0.145	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.4	175.3	-179.9	0	0	0	0	111.6	N226 R238 G240 A241 L242	N226-V229 HydrophobicContact CB-CB 4.43Å; N226-V229 PolarHBondContact O-N 2.8Å; V229-R238 WeakPolarHBondContact O-CG 3.35Å; V229-R238 PolarHBondContact O-NE 3.12Å; V229-G240 WeakPolarHBondContact O-CA 3.02Å; V229-G240 PolarHBondContact O-N 2.91Å; V229-A241 WeakPolarHBondContact CA-O 3.11Å; V229-A241 PolarHBondContact N-O 3.09Å; V229-L242 HydrophobicContact CG2-CB 4.05Å; V229-L242 HydrophobicContact CG2-CD1 4.46Å
230	N	93.5	Very high	94.8	Very high	75 Å²	75	48.8 Å²	48.8	40%	0.401	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	5	179.8	-65.4	-28.3	0	0	0	113.8	N226 S228	N226-N230 WeakPolarHBondContact O-CB 3.13Å; N226-N230 PolarHBondContact O-N 3.23Å; N226-N230 PolarHBondContact O-ND2 3.25Å; S228-N230 PolarHBondContact O-N 3.43Å
231	A	94.6	Very high	94.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.			trans	-65.8	151.1	178.5	0	0	0	0	0	111	S129 R131 L227 S228 Y239	S129-A231 CarbonylContact O-C 3.58Å; S129-A231 VanDerWaalsContact O-CA 3.22Å; S129-A231 WeakPolarHBondContact O-CA 3.47Å; S129-A231 WeakPolarHBondContact O-CB 3.41Å; R131-A231 HydrophobicContact CG-CB 3.88Å; L227-A231 PolarHBondContact O-N 3.35Å; S228-A231 WeakPolarHBondContact O-CB 3.25Å; S228-A231 PolarHBondContact O-N 2.91Å; A231-Y239 WeakPolarHBondContact O-CB 3.48Å; A231-Y239 PolarHBondContact O-N 2.95Å
232	V	96.4	Very high	94.2	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	145.6	171.3	-64	0	0	0	0	110.8	I128 S129 Y130 R131 V141 V145 S237	I128-V232 HydrophobicContact CD1-CG1 4.17Å; I128-V232 HydrophobicContact CD1-CG2 4.06Å; S129-V232 PolarHBondContact O-N 3.44Å; Y130-V232 CarbonylContact C-O 3.56Å; Y130-V232 VanDerWaalsContact CA-O 3.23Å; Y130-V232 WeakPolarHBondContact CA-O 3.47Å; Y130-V232 HydrophobicContact CD2-CG2 4.26Å; R131-V232 PolarHBondContact N-O 3.11Å; V141-V232 HydrophobicContact CG1-CG2 4Å; V145-V232 HydrophobicContact CG2-CG2 3.85Å; V232-S237 CarbonylContact C-O 3.37Å; V232-S237 WeakPolarHBondContact CA-O 3.42Å
233	T	96.8	Very high	93.9	Very high	23 Å²	23	50.8 Å²	50.8	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-180	175.3	45.3	0	0	0	0	112.3	R131 D235 G236 S237 Y239	R131-T233 HydrophobicContact CB-CG2 4.46Å; R131-T233 WeakPolarHBondContact O-CA 3.49Å; T233-D235 WeakPolarHBondContact CB-OD1 3.46Å; T233-D235 PolarHBondContact O-N 3.4Å; T233-D235 PolarHBondContact OG1-OD1 3.44Å; T233-G236 PolarHBondContact O-N 3.42Å; T233-S237 PolarHBondContact N-O 3.48Å; T233-S237 PolarHBondContact OG1-N 3.41Å; T233-S237 PolarHBondContact OG1-O 3.34Å; T233-S237 PolarHBondContact OG1-OG 3.45Å; T233-Y239 HydrophobicContact CG2-CD2 3.89Å; T233-Y239 HydrophobicContact CG2-CG 4.44Å
234	A	95.7	Very high	93.6	Very high	17 Å²	17	56.9 Å²	56.9	14%	0.14	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.2	-177.7	0	0	0	0	0	114.3	R131 D136 T137 I138	R131-A234 PolarHBondContact O-N 3.23Å; D136-A234 HydrophobicContact CB-CB 4.18Å; T137-A234 WeakPolarHBondContact CA-O 3.44Å; T137-A234 WeakPolarHBondContact OG1-CB 3.28Å; I138-A234 PolarHBondContact N-O 3.33Å
235	D	95.9	Very high	93.3	Very high	103 Å²	103	55.2 Å²	55.2	55%	0.551	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.9	177.5	65.3	-18.3	0	0	0	113.5	T233 S237	T233-D235 WeakPolarHBondContact CB-OD1 3.46Å; T233-D235 PolarHBondContact O-N 3.4Å; T233-D235 PolarHBondContact OG1-OD1 3.44Å; D235-S237 VanDerWaalsContact C-N 3.35Å; D235-S237 WeakPolarHBondContact OD1-CB 3.15Å; D235-S237 PolarHBondContact OD1-N 3.31Å; D235-S237 PolarHBondContact OD1-OG 3.18Å; D235-S237 PolarHBondContact OD2-OG 3.44Å; D235-S237 VanDerWaalsContact OD2-OG 3.1Å
236	G	95	Very high	93.1	Very high	26 Å²	26	54.5 Å²	54.5	27%	0.268	30%	0.298	S	S	.	.	S	Bend	trans	86.1	-0.7	-178.4	0	0	0	0	0	115.2	V141 T233	V141-G236 VanDerWaalsContact CG2-CA 3.47Å; V141-G236 VanDerWaalsContact CG2-N 3.33Å; T233-G236 PolarHBondContact O-N 3.42Å
237	S	96.1	Very high	93.1	Very high	59 Å²	59	51.4 Å²	51.4	41%	0.413	29%	0.287	S	S	.	.			trans	-70.1	171.2	171.6	71.8	0	0	0	0	111.6	V232 T233 D235	V232-S237 CarbonylContact C-O 3.37Å; V232-S237 WeakPolarHBondContact CA-O 3.42Å; T233-S237 PolarHBondContact N-O 3.48Å; T233-S237 PolarHBondContact OG1-N 3.41Å; T233-S237 PolarHBondContact OG1-O 3.34Å; T233-S237 PolarHBondContact OG1-OG 3.45Å; D235-S237 VanDerWaalsContact C-N 3.35Å; D235-S237 WeakPolarHBondContact OD1-CB 3.15Å; D235-S237 PolarHBondContact OD1-N 3.31Å; D235-S237 PolarHBondContact OD1-OG 3.18Å; D235-S237 PolarHBondContact OD2-OG 3.44Å; D235-S237 VanDerWaalsContact OD2-OG 3.1Å
238	R	95.7	Very high	93.1	Very high	166 Å²	166	54.9 Å²	54.9	63%	0.626	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-86.8	130.1	-177.9	-165	178.3	102.5	-177.2	2.9	109.6	V229 G240	V229-R238 WeakPolarHBondContact O-CG 3.35Å; V229-R238 PolarHBondContact O-NE 3.12Å; R238-G240 VanDerWaalsContact C-N 3.33Å; R238-G240 PolarHBondContact O-N 3.42Å
239	Y	93.7	Very high	93.2	Very high	73 Å²	73	55.7 Å²	55.7	29%	0.286	31%	0.31	S	S	.	.			trans	-59.8	-39.3	179.9	-177.8	-115.5	0	0	0	113.3	R131 S228 A231 T233 A241 D243	R131-Y239 HydrophobicContact CB-CD2 3.76Å; R131-Y239 HydrophobicContact CB-CE2 4.08Å; R131-Y239 HydrophobicContact CB-CG 4.19Å; R131-Y239 HydrophobicContact CG-CD1 4.02Å; R131-Y239 HydrophobicContact CG-CD2 3.74Å; R131-Y239 HydrophobicContact CG-CE1 4.25Å; R131-Y239 HydrophobicContact CG-CE2 4.02Å; R131-Y239 HydrophobicContact CG-CG 3.71Å; S228-Y239 VanDerWaalsContact O-CD1 3.27Å; S228-Y239 WeakPolarHBondContact O-CD1 3.15Å; A231-Y239 WeakPolarHBondContact O-CB 3.48Å; A231-Y239 PolarHBondContact O-N 2.95Å; T233-Y239 HydrophobicContact CG2-CD2 3.89Å; T233-Y239 HydrophobicContact CG2-CG 4.44Å; Y239-A241 HydrophobicContact CD1-CB 4.14Å; Y239-A241 VanDerWaalsContact CD1-O 3.23Å; Y239-A241 WeakPolarHBondContact CD1-O 3.47Å; Y239-A241 HydrophobicContact CE1-CB 3.79Å; Y239-A241 VanDerWaalsContact CE1-O 3.27Å; Y239-A241 WeakPolarHBondContact CE1-O 3.22Å; Y239-A241 PolarHBondContact O-N 3.43Å; Y239-D243 WeakPolarHBondContact CE1-OD1 3.39Å; Y239-D243 VanDerWaalsContact CZ-OD1 3.26Å; Y239-D243 PolarHBondContact OH-OD1 3.32Å
240	G	92.9	Very high	93.4	Very high	44 Å²	44	58 Å²	58	45%	0.454	32%	0.316	S	S	.	.			trans	74.6	-6.3	167.5	0	0	0	0	0	116.5	V229 R238	V229-G240 WeakPolarHBondContact O-CA 3.02Å; V229-G240 PolarHBondContact O-N 2.91Å; R238-G240 VanDerWaalsContact C-N 3.33Å; R238-G240 PolarHBondContact O-N 3.42Å
241	A	90.7	Very high	93.6	Very high	44 Å²	44	56.6 Å²	56.6	36%	0.364	31%	0.312	S	S	.	.	S	Bend	trans	-118.6	146.9	-177.6	0	0	0	0	0	113.3	S228 V229 Y239 D243	S228-A241 CarbonylContact C-O 3.57Å; S228-A241 PolarHBondContact OG-O 2.98Å; V229-A241 WeakPolarHBondContact CA-O 3.11Å; V229-A241 PolarHBondContact N-O 3.09Å; Y239-A241 HydrophobicContact CD1-CB 4.14Å; Y239-A241 VanDerWaalsContact CD1-O 3.23Å; Y239-A241 WeakPolarHBondContact CD1-O 3.47Å; Y239-A241 HydrophobicContact CE1-CB 3.79Å; Y239-A241 VanDerWaalsContact CE1-O 3.27Å; Y239-A241 WeakPolarHBondContact CE1-O 3.22Å; Y239-A241 PolarHBondContact O-N 3.43Å; A241-D243 PolarHBondContact O-N 3.45Å
242	L	91.2	Very high	93.7	Very high	75 Å²	75	57.2 Å²	57.2	39%	0.393	32%	0.317	S	S	.	.			trans	-83.3	109.9	171.5	-176.2	65	0	0	0	109.3	S228 V229 T246 A247	S228-L242 WeakPolarHBondContact OG-CD1 3.29Å; V229-L242 HydrophobicContact CG2-CB 4.05Å; V229-L242 HydrophobicContact CG2-CD1 4.46Å; L242-T246 HydrophobicContact CD1-CG2 3.9Å; L242-A247 HydrophobicContact CD2-CB 3.76Å; L242-A247 HydrophobicContact CG-CB 3.98Å
243	D	88.7	Confident	93.8	Very high	18 Å²	18	58.9 Å²	58.9	10%	0.096	33%	0.332	C	S	.	.			trans	-62.1	139.8	177.1	-76.5	-26.2	0	0	0	111	R131 R187 S228 Y239 A241 N245 T246 A247	R131-D243 IonicContact CZ-OD2 3.59Å; R131-D243 IonicContact NE-OD2 3.67Å; R131-D243 PolarHBondContact NE-OD2 3.41Å; R131-D243 IonicContact NH2-OD2 3.87Å; R131-D243 PolarHBondContact NH2-OD2 3.31Å; R187-D243 IonicContact NH2-OD2 3.62Å; R187-D243 PolarHBondContact NH2-OD2 2.92Å; S228-D243 PolarHBondContact OG-N 3.3Å; Y239-D243 WeakPolarHBondContact CE1-OD1 3.39Å; Y239-D243 VanDerWaalsContact CZ-OD1 3.26Å; Y239-D243 PolarHBondContact OH-OD1 3.32Å; A241-D243 PolarHBondContact O-N 3.45Å; D243-N245 VanDerWaalsContact C-N 3.27Å; D243-N245 PolarHBondContact O-N 3.26Å; D243-N245 VanDerWaalsContact O-N 3.16Å; D243-T246 CarbonylContact O-C 3.54Å; D243-T246 WeakPolarHBondContact O-CA 3.36Å; D243-T246 WeakPolarHBondContact O-CB 3.48Å; D243-T246 PolarHBondContact O-N 3.38Å; D243-A247 PolarHBondContact O-N 3.41Å
244	K	90.4	Very high	93.8	Very high	150 Å²	150	62.7 Å²	62.7	65%	0.652	35%	0.348	S	S	*	.	H	α-helix	trans	-48.3	-46.3	176.1	-176.1	178.3	179.5	175.3	0	113.4	T246 A247 Q248	K244-T246 VanDerWaalsContact C-N 3.29Å; K244-T246 PolarHBondContact O-N 2.86Å; K244-A247 PolarHBondContact O-N 3.3Å; K244-Q248 WeakPolarHBondContact O-CB 3.15Å; K244-Q248 WeakPolarHBondContact O-CG 3.33Å; K244-Q248 PolarHBondContact O-N 2.89Å
245	N	89.9	Confident	93.9	Very high	61 Å²	61	62 Å²	62	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-31.4	179.5	-62.4	-19.9	0	0	0	112.4	Y222 D243 G249	Y222-N245 WeakPolarHBondContact CB-O 3.25Å; Y222-N245 HydrophobicContact CD1-CB 3.86Å; Y222-N245 HydrophobicContact CD2-CB 3.79Å; Y222-N245 HydrophobicContact CE1-CB 3.71Å; Y222-N245 HydrophobicContact CE2-CB 3.62Å; Y222-N245 HydrophobicContact CG-CB 3.9Å; Y222-N245 PolarHBondContact OH-ND2 3.28Å; D243-N245 VanDerWaalsContact C-N 3.27Å; D243-N245 PolarHBondContact O-N 3.26Å; D243-N245 VanDerWaalsContact O-N 3.16Å; N245-G249 PolarHBondContact O-N 2.78Å
246	T	89.7	Confident	94	Very high	6 Å²	6	57 Å²	57	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-73.9	-41.7	175.5	-52.4	0	0	0	0	110	I223 H224 T225 L242 D243 K244 Q248 G249	I223-T246 VanDerWaalsContact O-CG2 3.28Å; I223-T246 WeakPolarHBondContact O-CG2 3.44Å; H224-T246 VanDerWaalsContact CA-O 3.28Å; H224-T246 WeakPolarHBondContact CA-O 3.39Å; T225-T246 WeakPolarHBondContact O-CG2 3.38Å; L242-T246 HydrophobicContact CD1-CG2 3.9Å; D243-T246 CarbonylContact O-C 3.54Å; D243-T246 WeakPolarHBondContact O-CA 3.36Å; D243-T246 WeakPolarHBondContact O-CB 3.48Å; D243-T246 PolarHBondContact O-N 3.38Å; K244-T246 VanDerWaalsContact C-N 3.29Å; K244-T246 PolarHBondContact O-N 2.86Å; T246-Q248 PolarHBondContact O-N 3.4Å; T246-G249 PolarHBondContact O-N 3.13Å
247	A	91.9	Very high	94.1	Very high	38 Å²	38	59.7 Å²	59.7	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-33.5	174.4	0	0	0	0	0	112.9	H224 L242 D243 K244 G249	H224-A247 PolarHBondContact CE1-O 2.85Å; H224-A247 WeakPolarHBondContact ND1-CA 3.24Å; H224-A247 PolarHBondContact ND1-O 3.35Å; L242-A247 HydrophobicContact CD2-CB 3.76Å; L242-A247 HydrophobicContact CG-CB 3.98Å; D243-A247 PolarHBondContact O-N 3.41Å; K244-A247 PolarHBondContact O-N 3.3Å; A247-G249 VanDerWaalsContact C-N 3.34Å
248	Q	92.7	Very high	94.2	Very high	137 Å²	137	59.2 Å²	59.2	64%	0.64	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	5.6	177.2	-64.9	177.6	-17.3	0	0	113.2	K244 T246	K244-Q248 WeakPolarHBondContact O-CB 3.15Å; K244-Q248 WeakPolarHBondContact O-CG 3.33Å; K244-Q248 PolarHBondContact O-N 2.89Å; T246-Q248 PolarHBondContact O-N 3.4Å
249	G	93.7	Very high	94.3	Very high	18 Å²	18	51.3 Å²	51.3	19%	0.186	28%	0.284	C	S	.	.	S	Bend	trans	-70.2	166.5	179.3	0	0	0	0	0	112.8	Y222 N245 T246 A247	Y222-G249 CarbonylContact O-C 3.57Å; Y222-G249 VanDerWaalsContact O-CA 3.22Å; Y222-G249 WeakPolarHBondContact O-CA 3.48Å; N245-G249 PolarHBondContact O-N 2.78Å; T246-G249 PolarHBondContact O-N 3.13Å; A247-G249 VanDerWaalsContact C-N 3.34Å
250	R	96.4	Very high	94.5	Very high	73 Å²	73	48.5 Å²	48.5	28%	0.275	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	153	173.3	-64.8	179.4	64.2	-155.7	-2.6	110.6	Y222 I223 H224 V255 D258	Y222-R250 PolarHBondContact O-N 3.3Å; I223-R250 CarbonylContact C-O 3.26Å; I223-R250 WeakPolarHBondContact CA-O 3.19Å; I223-R250 WeakPolarHBondContact CG2-O 3.5Å; H224-R250 PolarHBondContact N-O 3.36Å; R250-V255 HydrophobicContact CB-CG2 3.87Å; R250-D258 IonicContact CZ-OD2 3.19Å; R250-D258 IonicContact NH1-OD2 2.75Å; R250-D258 PolarHBondContact NH1-OD2 2.94Å; R250-D258 IonicContact NH2-OD2 3.16Å; R250-D258 PolarHBondContact NH2-OD2 3.19Å
251	S	97.3	Very high	94.7	Very high	45 Å²	45	47.9 Å²	47.9	32%	0.315	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	148.1	178	73	0	0	0	0	111	A253 E254 V255	S251-A253 PolarHBondContact O-N 2.74Å; S251-E254 WeakPolarHBondContact CB-OE2 3.19Å; S251-E254 PolarHBondContact N-OE2 3.46Å; S251-E254 PolarHBondContact O-N 2.98Å; S251-E254 WeakPolarHBondContact OG-CB 3.23Å; S251-E254 WeakPolarHBondContact OG-CG 3.37Å; S251-E254 PolarHBondContact OG-N 3.06Å; S251-E254 PolarHBondContact OG-OE2 3.36Å; S251-V255 WeakPolarHBondContact O-CG2 3.02Å; S251-V255 PolarHBondContact O-N 3.37Å
252	A	97.4	Very high	95	Very high	13 Å²	13	45.9 Å²	45.9	11%	0.107	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-33.1	177.3	0	0	0	0	0	112.4	E52 I223 T225 V255 A256	E52-A252 HydrophobicContact CB-CB 4.39Å; E52-A252 HydrophobicContact CG-CB 3.77Å; I223-A252 HydrophobicContact CG2-CB 4.03Å; T225-A252 HydrophobicContact CG2-CB 4.03Å; A252-V255 PolarHBondContact O-N 3.33Å; A252-A256 VanDerWaalsContact O-CB 3.28Å; A252-A256 WeakPolarHBondContact O-CB 3.11Å; A252-A256 PolarHBondContact O-N 3.36Å
253	A	97.6	Very high	95.3	Very high	47 Å²	47	42.3 Å²	42.3	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-66.5	-45.3	178	0	0	0	0	0	112.3	E52 S251 V255 A256 Q257	E52-A253 HydrophobicContact CG-CB 4.47Å; S251-A253 PolarHBondContact O-N 2.74Å; A253-V255 VanDerWaalsContact C-N 3.35Å; A253-V255 PolarHBondContact O-N 3.07Å; A253-A256 PolarHBondContact O-N 3.13Å; A253-Q257 PolarHBondContact O-N 3.44Å
254	E	97.1	Very high	95.7	Very high	103 Å²	103	41.5 Å²	41.5	48%	0.481	22%	0.221	S	C	.	.	H	α-helix	trans	-62.4	-43	175.7	-70.9	164.1	134.5	0	0	111.6	S251 A256 Q257 D258	S251-E254 WeakPolarHBondContact CB-OE2 3.19Å; S251-E254 PolarHBondContact N-OE2 3.46Å; S251-E254 PolarHBondContact O-N 2.98Å; S251-E254 WeakPolarHBondContact OG-CB 3.23Å; S251-E254 WeakPolarHBondContact OG-CG 3.37Å; S251-E254 PolarHBondContact OG-N 3.06Å; S251-E254 PolarHBondContact OG-OE2 3.36Å; E254-A256 VanDerWaalsContact C-N 3.35Å; E254-Q257 PolarHBondContact O-N 3.05Å; E254-D258 PolarHBondContact O-N 3.28Å
255	V	98.1	Very high	95.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-36.2	178.6	-178.6	0	0	0	0	111	L49 P220 I223 R250 S251 A252 A253 Q257 D258 V259 L272	L49-V255 HydrophobicContact CD1-CB 3.97Å; L49-V255 HydrophobicContact CD1-CG1 3.78Å; L49-V255 HydrophobicContact CD2-CG1 4.3Å; P220-V255 HydrophobicContact CB-CG1 4.42Å; I223-V255 HydrophobicContact CD1-CB 4.29Å; I223-V255 HydrophobicContact CD1-CG1 3.79Å; I223-V255 HydrophobicContact CD1-CG2 4.37Å; I223-V255 HydrophobicContact CG1-CG1 4.45Å; I223-V255 HydrophobicContact CG1-CG2 4.2Å; I223-V255 HydrophobicContact CG2-CG2 4.26Å; R250-V255 HydrophobicContact CB-CG2 3.87Å; S251-V255 WeakPolarHBondContact O-CG2 3.02Å; S251-V255 PolarHBondContact O-N 3.37Å; A252-V255 PolarHBondContact O-N 3.33Å; A253-V255 VanDerWaalsContact C-N 3.35Å; A253-V255 PolarHBondContact O-N 3.07Å; V255-Q257 VanDerWaalsContact C-N 3.32Å; V255-Q257 PolarHBondContact O-N 3.21Å; V255-D258 WeakPolarHBondContact O-CB 3.4Å; V255-D258 PolarHBondContact O-N 2.66Å; V255-V259 VanDerWaalsContact O-CG2 3.26Å; V255-V259 WeakPolarHBondContact O-CG2 3.22Å; V255-V259 PolarHBondContact O-N 3.39Å; V255-L272 HydrophobicContact CG1-CD1 4.01Å
256	A	98.4	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-38.3	173.4	0	0	0	0	0	112.3	L49 E52 V56 A252 A253 E254 V259 F260	L49-A256 HydrophobicContact CD1-CB 4.02Å; E52-A256 VanDerWaalsContact C-CB 3.44Å; E52-A256 HydrophobicContact CB-CB 3.62Å; V56-A256 HydrophobicContact CG2-CB 4.05Å; A252-A256 VanDerWaalsContact O-CB 3.28Å; A252-A256 WeakPolarHBondContact O-CB 3.11Å; A252-A256 PolarHBondContact O-N 3.36Å; A253-A256 PolarHBondContact O-N 3.13Å; E254-A256 VanDerWaalsContact C-N 3.35Å; A256-V259 WeakPolarHBondContact O-CB 3.15Å; A256-V259 PolarHBondContact O-N 3.09Å; A256-F260 PolarHBondContact O-N 2.65Å
257	Q	97.3	Very high	96.6	Very high	82 Å²	82	42.9 Å²	42.9	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-65.2	-40.4	173.8	-170.9	59.9	60.4	0	0	111.9	A253 E254 V255 V259 F260 D261	A253-Q257 PolarHBondContact O-N 3.44Å; E254-Q257 PolarHBondContact O-N 3.05Å; V255-Q257 VanDerWaalsContact C-N 3.32Å; V255-Q257 PolarHBondContact O-N 3.21Å; Q257-V259 VanDerWaalsContact C-N 3.33Å; Q257-V259 PolarHBondContact O-N 3.42Å; Q257-F260 WeakPolarHBondContact O-CB 3.44Å; Q257-F260 PolarHBondContact O-N 2.52Å; Q257-D261 PolarHBondContact NE2-OD1 2.94Å; Q257-D261 WeakPolarHBondContact O-CB 3.47Å; Q257-D261 PolarHBondContact O-N 3.18Å
258	D	97.4	Very high	96.8	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-37.5	174.1	-75.5	-20.4	0	0	0	112.3	R250 E254 V255 D261 A262 L272	R250-D258 IonicContact CZ-OD2 3.19Å; R250-D258 IonicContact NH1-OD2 2.75Å; R250-D258 PolarHBondContact NH1-OD2 2.94Å; R250-D258 IonicContact NH2-OD2 3.16Å; R250-D258 PolarHBondContact NH2-OD2 3.19Å; E254-D258 PolarHBondContact O-N 3.28Å; V255-D258 WeakPolarHBondContact O-CB 3.4Å; V255-D258 PolarHBondContact O-N 2.66Å; D258-D261 PolarHBondContact O-N 2.82Å; D258-A262 VanDerWaalsContact O-CB 3.27Å; D258-A262 WeakPolarHBondContact O-CB 3.45Å; D258-A262 PolarHBondContact O-N 3.41Å; D258-L272 HydrophobicContact CB-CD1 3.63Å; D258-L272 HydrophobicContact CB-CD2 3.82Å; D258-L272 HydrophobicContact CB-CG 4.38Å
259	V	98.4	Very high	97.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-51.7	172.8	169.9	0	0	0	0	109.7	L49 F57 I175 I218 V255 A256 Q257 D261 A262 V263 L272	L49-V259 HydrophobicContact CD1-CG2 4.44Å; L49-V259 HydrophobicContact CD2-CG2 4.49Å; F57-V259 HydrophobicContact CE2-CG1 4.4Å; I175-V259 HydrophobicContact CD1-CG1 4.41Å; I175-V259 HydrophobicContact CD1-CG2 4.14Å; I218-V259 HydrophobicContact CD1-CB 3.95Å; I218-V259 HydrophobicContact CD1-CG1 3.73Å; I218-V259 HydrophobicContact CD1-CG2 3.68Å; I218-V259 HydrophobicContact CG2-CG2 4.36Å; V255-V259 VanDerWaalsContact O-CG2 3.26Å; V255-V259 WeakPolarHBondContact O-CG2 3.22Å; V255-V259 PolarHBondContact O-N 3.39Å; A256-V259 WeakPolarHBondContact O-CB 3.15Å; A256-V259 PolarHBondContact O-N 3.09Å; Q257-V259 VanDerWaalsContact C-N 3.33Å; Q257-V259 PolarHBondContact O-N 3.42Å; V259-D261 VanDerWaalsContact C-N 3.33Å; V259-D261 PolarHBondContact O-N 2.61Å; V259-A262 WeakPolarHBondContact O-CB 3.39Å; V259-A262 PolarHBondContact O-N 3.31Å; V259-A262 VanDerWaalsContact O-N 3.14Å; V259-V263 HydrophobicContact CG1-CG2 4.36Å; V259-V263 VanDerWaalsContact O-CG2 3.29Å; V259-V263 WeakPolarHBondContact O-CG2 3.41Å; V259-V263 PolarHBondContact O-N 3.34Å; V259-L272 HydrophobicContact CG2-CD1 4.47Å
260	F	97.8	Very high	97.3	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-54.4	-48.2	177	176.7	-89.8	0	0	0	112	L35 V56 F57 A60 A256 Q257 A262 V263 G264	L35-F260 HydrophobicContact CB-CE2 3.94Å; L35-F260 HydrophobicContact CB-CZ 4.3Å; L35-F260 HydrophobicContact CD1-CD1 4.48Å; L35-F260 HydrophobicContact CD1-CD2 3.47Å; L35-F260 VanDerWaalsContact CD1-CD2 3.47Å; L35-F260 HydrophobicContact CD1-CE1 4.31Å; L35-F260 HydrophobicContact CD1-CE2 3.24Å; L35-F260 HydrophobicContact CD1-CG 4.1Å; L35-F260 HydrophobicContact CD1-CZ 3.72Å; L35-F260 HydrophobicContact CG-CE2 4.21Å; V56-F260 HydrophobicContact CG1-CB 3.54Å; V56-F260 HydrophobicContact CG1-CD1 4.37Å; V56-F260 HydrophobicContact CG1-CD2 3.79Å; V56-F260 HydrophobicContact CG1-CG 3.65Å; F57-F260 HydrophobicContact CD1-CD2 4.16Å; F57-F260 HydrophobicContact CD2-CB 4.48Å; F57-F260 AromaticContact CD2-CD2 3.98Å; F57-F260 HydrophobicContact CD2-CD2 3.98Å; F57-F260 HydrophobicContact CE1-CD2 4.19Å; F57-F260 HydrophobicContact CE2-CB 3.98Å; F57-F260 AromaticContact CE2-CD2 4Å; F57-F260 HydrophobicContact CE2-CD2 4Å; F57-F260 HydrophobicContact CE2-CG 4.5Å; F57-F260 HydrophobicContact CG-CD2 4.09Å; F57-F260 HydrophobicContact CZ-CB 4.4Å; F57-F260 HydrophobicContact CZ-CD2 4.12Å; A60-F260 HydrophobicContact CB-CD2 4.46Å; A60-F260 HydrophobicContact CB-CE2 3.33Å; A60-F260 HydrophobicContact CB-CZ 3.55Å; A256-F260 PolarHBondContact O-N 2.65Å; Q257-F260 WeakPolarHBondContact O-CB 3.44Å; Q257-F260 PolarHBondContact O-N 2.52Å; F260-A262 PolarHBondContact O-N 3.47Å; F260-V263 PolarHBondContact O-N 3.08Å; F260-G264 PolarHBondContact O-N 3.33Å
261	D	96.3	Very high	97.3	Very high	31 Å²	31	42.3 Å²	42.3	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-39.9	177.7	-89	26.7	0	0	0	112.5	Q257 D258 V259 K265	Q257-D261 PolarHBondContact NE2-OD1 2.94Å; Q257-D261 WeakPolarHBondContact O-CB 3.47Å; Q257-D261 PolarHBondContact O-N 3.18Å; D258-D261 PolarHBondContact O-N 2.82Å; V259-D261 VanDerWaalsContact C-N 3.33Å; V259-D261 PolarHBondContact O-N 2.61Å; D261-K265 VanDerWaalsContact O-CB 3.31Å; D261-K265 WeakPolarHBondContact O-CB 3.17Å; D261-K265 WeakPolarHBondContact O-CD 3.46Å; D261-K265 VanDerWaalsContact O-CG 3.24Å; D261-K265 WeakPolarHBondContact O-CG 3.3Å; D261-K265 PolarHBondContact O-N 3.11Å; D261-K265 IonicContact OD2-NZ 2.74Å; D261-K265 PolarHBondContact OD2-NZ 3.39Å
262	A	97.4	Very high	97.2	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-42.2	177.7	0	0	0	0	0	112.1	I218 D258 V259 F260 K265 K266 K267 V270	I218-A262 HydrophobicContact CD1-CB 4.31Å; D258-A262 VanDerWaalsContact O-CB 3.27Å; D258-A262 WeakPolarHBondContact O-CB 3.45Å; D258-A262 PolarHBondContact O-N 3.41Å; V259-A262 WeakPolarHBondContact O-CB 3.39Å; V259-A262 PolarHBondContact O-N 3.31Å; V259-A262 VanDerWaalsContact O-N 3.14Å; F260-A262 PolarHBondContact O-N 3.47Å; A262-K265 CarbonylContact O-C 3.57Å; A262-K265 PolarHBondContact O-N 3.42Å; A262-K266 PolarHBondContact O-N 2.89Å; A262-K267 HydrophobicContact CB-CD 4.33Å; A262-K267 PolarHBondContact O-N 3.35Å; A262-V270 HydrophobicContact CB-CG1 4.48Å; A262-V270 HydrophobicContact CB-CG2 4.06Å
263	V	97.8	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-47.9	176.7	178.1	0	0	0	0	110.1	Y34 L35 F57 V121 H171 V173 V259 F260 K265 K266	Y34-V263 HydrophobicContact CE1-CG1 4.48Å; L35-V263 HydrophobicContact CD1-CG1 4.42Å; L35-V263 HydrophobicContact CD2-CG1 3.91Å; F57-V263 HydrophobicContact CE1-CG1 4.37Å; F57-V263 HydrophobicContact CZ-CB 4.21Å; F57-V263 HydrophobicContact CZ-CG1 4.36Å; F57-V263 HydrophobicContact CZ-CG2 4.2Å; V121-V263 HydrophobicContact CG1-CG1 4.04Å; V121-V263 HydrophobicContact CG2-CG1 4.47Å; H171-V263 PolarHBondContact CE1-O 3.09Å; V173-V263 HydrophobicContact CB-CG2 4.45Å; V173-V263 HydrophobicContact CG1-CG2 4.06Å; V173-V263 HydrophobicContact CG2-CG1 4.35Å; V173-V263 HydrophobicContact CG2-CG2 3.57Å; V259-V263 HydrophobicContact CG1-CG2 4.36Å; V259-V263 VanDerWaalsContact O-CG2 3.29Å; V259-V263 WeakPolarHBondContact O-CG2 3.41Å; V259-V263 PolarHBondContact O-N 3.34Å; F260-V263 PolarHBondContact O-N 3.08Å; V263-K265 PolarHBondContact O-N 3.12Å; V263-K266 PolarHBondContact O-N 2.89Å
264	G	96.3	Very high	96.6	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-33.4	176.9	0	0	0	0	0	114	F260	F260-G264 PolarHBondContact O-N 3.33Å
265	K	95.5	Very high	96.3	Very high	63 Å²	63	47.2 Å²	47.2	27%	0.274	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.1	175.3	-67.8	168.2	-171.6	160.8	0	113.7	D261 A262 V263 K267	D261-K265 VanDerWaalsContact O-CB 3.31Å; D261-K265 WeakPolarHBondContact O-CB 3.17Å; D261-K265 WeakPolarHBondContact O-CD 3.46Å; D261-K265 VanDerWaalsContact O-CG 3.24Å; D261-K265 WeakPolarHBondContact O-CG 3.3Å; D261-K265 PolarHBondContact O-N 3.11Å; D261-K265 IonicContact OD2-NZ 2.74Å; D261-K265 PolarHBondContact OD2-NZ 3.39Å; A262-K265 CarbonylContact O-C 3.57Å; A262-K265 PolarHBondContact O-N 3.42Å; V263-K265 PolarHBondContact O-N 3.12Å; K265-K267 HydrophobicContact CB-CG 4.09Å; K265-K267 PolarHBondContact O-N 2.82Å
266	K	96.1	Very high	96	Very high	85 Å²	85	52.6 Å²	52.6	37%	0.37	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	39.1	-178.2	-57	173.7	177	-175.6	0	112.6	Y34 K214 A262 V263	Y34-K266 HydrophobicContact CE1-CG 4.46Å; Y34-K266 VanDerWaalsContact CZ-CE 3.49Å; K214-K266 HydrophobicContact CG-CD 4.24Å; A262-K266 PolarHBondContact O-N 2.89Å; V263-K266 PolarHBondContact O-N 2.89Å
267	K	97.1	Very high	95.7	Very high	98 Å²	98	54.4 Å²	54.4	43%	0.426	27%	0.271	S	S	.	.			trans	-64	142.9	179.3	-69.2	-170.5	174.7	-176.1	0	110.5	T216 A262 K265 V270	T216-K267 WeakPolarHBondContact CA-O 3.39Å; T216-K267 WeakPolarHBondContact CB-O 3.48Å; T216-K267 VanDerWaalsContact CG2-O 3.25Å; T216-K267 WeakPolarHBondContact CG2-O 3.26Å; T216-K267 PolarHBondContact OG1-O 3.29Å; A262-K267 HydrophobicContact CB-CD 4.33Å; A262-K267 PolarHBondContact O-N 3.35Å; K265-K267 HydrophobicContact CB-CG 4.09Å; K265-K267 PolarHBondContact O-N 2.82Å; K267-V270 HydrophobicContact CB-CG2 3.47Å; K267-V270 VanDerWaalsContact CB-CG2 3.47Å; K267-V270 HydrophobicContact CD-CG2 3.76Å; K267-V270 HydrophobicContact CG-CG2 4.28Å
268	K	97.8	Very high	95.5	Very high	116 Å²	116	51.6 Å²	51.6	50%	0.504	26%	0.26	S	S	.	.	S	Bend	trans	-83	-49.1	-176.4	-66.6	-172.2	171.7	-158.4	0	113.1	R205 E209 T216 V217	R205-K268 PolarHBondContact NH2-O 3.33Å; E209-K268 IonicContact OE2-NZ 3.76Å; E209-K268 PolarHBondContact OE2-NZ 3.41Å; T216-K268 WeakPolarHBondContact CA-O 3.4Å; V217-K268 PolarHBondContact N-O 3.25Å
269	D	97.6	Very high	95.4	Very high	75 Å²	75	52.8 Å²	52.8	40%	0.401	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126.5	-178.1	-172.3	28.5	0	0	0	109	K181	K181-D269 VanDerWaalsContact NZ-CG 3.25Å; K181-D269 IonicContact NZ-OD1 2.96Å; K181-D269 PolarHBondContact NZ-OD1 2.84Å; K181-D269 VanDerWaalsContact NZ-OD1 3.15Å; K181-D269 IonicContact NZ-OD2 3.3Å; K181-D269 PolarHBondContact NZ-OD2 3.42Å
270	V	98	Very high	95.2	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.5	-168	-173.1	0	0	0	0	110.6	T216 V217 I218 S219 A262 K267 L272	T216-V270 HydrophobicContact CG2-CG2 4.22Å; V217-V270 PolarHBondContact O-N 3.23Å; I218-V270 HydrophobicContact CG1-CB 4.47Å; S219-V270 PolarHBondContact N-O 3.26Å; A262-V270 HydrophobicContact CB-CG1 4.48Å; A262-V270 HydrophobicContact CB-CG2 4.06Å; K267-V270 HydrophobicContact CB-CG2 3.47Å; K267-V270 VanDerWaalsContact CB-CG2 3.47Å; K267-V270 HydrophobicContact CD-CG2 3.76Å; K267-V270 HydrophobicContact CG-CG2 4.28Å; V270-L272 HydrophobicContact CG1-CD2 3.65Å; V270-L272 HydrophobicContact CG1-CG 3.94Å
271	L	97.3	Very high	95.2	Very high	54 Å²	54	54 Å²	54	28%	0.283	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.8	168	-58.5	-176.5	0	0	0	109.3	I178 K181 V281	I178-L271 HydrophobicContact CD1-CD2 4.16Å; K181-L271 HydrophobicContact CG-CD2 4.22Å; L271-V281 HydrophobicContact CD1-CG2 4.4Å
272	L	95.8	Very high	95.2	Very high	20 Å²	20	58.8 Å²	58.8	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	67	173.6	-61.7	-176.5	0	0	0	109.1	I218 S219 P220 G221 V255 D258 V259 V270	I218-L272 HydrophobicContact CG2-CD1 3.42Å; I218-L272 VanDerWaalsContact CG2-CD1 3.42Å; I218-L272 HydrophobicContact CG2-CG 3.85Å; S219-L272 PolarHBondContact O-N 3.12Å; P220-L272 WeakPolarHBondContact CA-O 3.49Å; P220-L272 HydrophobicContact CB-CB 4.35Å; G221-L272 PolarHBondContact N-O 3.23Å; V255-L272 HydrophobicContact CG1-CD1 4.01Å; D258-L272 HydrophobicContact CB-CD1 3.63Å; D258-L272 HydrophobicContact CB-CD2 3.82Å; D258-L272 HydrophobicContact CB-CG 4.38Å; V259-L272 HydrophobicContact CG2-CD1 4.47Å; V270-L272 HydrophobicContact CG1-CD2 3.65Å; V270-L272 HydrophobicContact CG1-CG 3.94Å
273	T	91.9	Very high	95.2	Very high	24 Å²	24	60.9 Å²	60.9	15%	0.147	30%	0.303	C	S	.	.	S	Bend	trans	-135.8	157.5	-174.1	42.7	0	0	0	0	111.3	I178 G221 P277 S278	I178-T273 HydrophobicContact CB-CG2 3.74Å; I178-T273 HydrophobicContact CD1-CG2 3.9Å; I178-T273 HydrophobicContact CG1-CG2 3.86Å; I178-T273 HydrophobicContact CG2-CG2 4.36Å; G221-T273 VanDerWaalsContact N-CG2 3.29Å; T273-P277 HydrophobicContact CG2-CB 4.16Å; T273-S278 PolarHBondContact O-OG 3.05Å; T273-S278 PolarHBondContact OG1-OG 3.28Å
274	D	90.4	Very high	95.1	Very high	109 Å²	109	64.4 Å²	64.4	58%	0.583	32%	0.316	S	S	*	.			trans	-65	171.2	169.2	-52.1	-40.7	0	0	0	111.2	V276 P277 S278	D274-V276 VanDerWaalsContact C-N 3.33Å; D274-V276 PolarHBondContact O-N 3.19Å; D274-P277 WeakPolarHBondContact O-CD 3.45Å; D274-S278 WeakPolarHBondContact O-CB 3.41Å; D274-S278 PolarHBondContact O-N 3.35Å; D274-S278 PolarHBondContact O-OG 2.94Å
275	F	90.6	Very high	95.1	Very high	159 Å²	159	69.4 Å²	69.4	70%	0.697	35%	0.346	S	S	*	.	H	α-helix	trans	-55.7	-44.8	-177.5	-177.3	-106.6	0	0	0	112.9	S278 M279	F275-S278 WeakPolarHBondContact O-CB 3.28Å; F275-S278 PolarHBondContact O-N 2.75Å; F275-M279 HydrophobicContact CD1-CG 4.18Å; F275-M279 HydrophobicContact CD2-CG 4.38Å; F275-M279 HydrophobicContact CE1-CG 3.75Å; F275-M279 HydrophobicContact CE2-CG 3.97Å; F275-M279 HydrophobicContact CE2-SD 4.1Å; F275-M279 HydrophobicContact CG-CG 4.48Å; F275-M279 HydrophobicContact CZ-CG 3.63Å; F275-M279 HydrophobicContact CZ-SD 3.93Å; F275-M279 WeakPolarHBondContact O-CG 3.41Å; F275-M279 PolarHBondContact O-N 2.9Å
276	V	91.8	Very high	95.2	Very high	114 Å²	114	73.1 Å²	73.1	69%	0.691	37%	0.369	S	S	*	.	H	α-helix	trans	-65.6	-52.4	-174.2	173.9	0	0	0	0	112.9	D274 S278 M279 A280	D274-V276 VanDerWaalsContact C-N 3.33Å; D274-V276 PolarHBondContact O-N 3.19Å; V276-S278 PolarHBondContact O-N 2.73Å; V276-M279 PolarHBondContact O-N 3.07Å; V276-A280 PolarHBondContact O-N 3.24Å; V276-A280 VanDerWaalsContact O-N 3.12Å
277	P	90.9	Very high	95.3	Very high	39 Å²	39	71 Å²	71	25%	0.253	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-33.1	174.3	-21.8	31.7	0	0	0	113.2	I178 T273 D274 A280	I178-P277 HydrophobicContact CG1-CB 4.14Å; T273-P277 HydrophobicContact CG2-CB 4.16Å; D274-P277 WeakPolarHBondContact O-CD 3.45Å; P277-A280 WeakPolarHBondContact O-CB 3.28Å; P277-A280 PolarHBondContact O-N 3.32Å
278	S	93.4	Very high	95.3	Very high	23 Å²	23	69.1 Å²	69.1	16%	0.161	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-45.2	176.1	-52.6	0	0	0	0	111.2	T273 D274 F275 V276 A280 V281 Y282	T273-S278 PolarHBondContact O-OG 3.05Å; T273-S278 PolarHBondContact OG1-OG 3.28Å; D274-S278 WeakPolarHBondContact O-CB 3.41Å; D274-S278 PolarHBondContact O-N 3.35Å; D274-S278 PolarHBondContact O-OG 2.94Å; F275-S278 WeakPolarHBondContact O-CB 3.28Å; F275-S278 PolarHBondContact O-N 2.75Å; V276-S278 PolarHBondContact O-N 2.73Å; S278-A280 VanDerWaalsContact C-N 3.28Å; S278-A280 PolarHBondContact O-N 3.04Å; S278-V281 WeakPolarHBondContact O-CB 3.48Å; S278-V281 PolarHBondContact O-N 3.16Å; S278-Y282 VanDerWaalsContact O-CD2 3.3Å; S278-Y282 WeakPolarHBondContact O-CD2 3.35Å
279	M	95.3	Very high	95.3	Very high	72 Å²	72	65.6 Å²	65.6	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-61	-36	175	-75.9	-54.5	-49.4	0	0	112.6	F275 V276 V281 Y282 I283	F275-M279 HydrophobicContact CD1-CG 4.18Å; F275-M279 HydrophobicContact CD2-CG 4.38Å; F275-M279 HydrophobicContact CE1-CG 3.75Å; F275-M279 HydrophobicContact CE2-CG 3.97Å; F275-M279 HydrophobicContact CE2-SD 4.1Å; F275-M279 HydrophobicContact CG-CG 4.48Å; F275-M279 HydrophobicContact CZ-CG 3.63Å; F275-M279 HydrophobicContact CZ-SD 3.93Å; F275-M279 WeakPolarHBondContact O-CG 3.41Å; F275-M279 PolarHBondContact O-N 2.9Å; V276-M279 PolarHBondContact O-N 3.07Å; M279-V281 PolarHBondContact O-N 2.87Å; M279-Y282 PolarHBondContact O-N 2.86Å; M279-Y282 VanDerWaalsContact O-N 3.08Å; M279-I283 WeakPolarHBondContact O-CG1 3.47Å; M279-I283 PolarHBondContact O-N 3.3Å
280	A	95.3	Very high	95.3	Very high	19 Å²	19	66.2 Å²	66.2	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-29.5	179	0	0	0	0	0	113.2	I182 V276 P277 S278 I283 R284 F291	I182-A280 HydrophobicContact CD1-CB 3.86Å; V276-A280 PolarHBondContact O-N 3.24Å; V276-A280 VanDerWaalsContact O-N 3.12Å; P277-A280 WeakPolarHBondContact O-CB 3.28Å; P277-A280 PolarHBondContact O-N 3.32Å; S278-A280 VanDerWaalsContact C-N 3.28Å; S278-A280 PolarHBondContact O-N 3.04Å; A280-I283 PolarHBondContact O-N 2.87Å; A280-R284 WeakPolarHBondContact O-CB 3.49Å; A280-R284 PolarHBondContact O-N 2.85Å; A280-F291 HydrophobicContact CB-CE2 4.42Å
281	V	96.5	Very high	95.2	Very high	22 Å²	22	66 Å²	66	13%	0.133	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-48.3	172.6	-179.1	0	0	0	0	110.5	I178 K181 I182 L271 S278 M279 R284 T285	I178-V281 HydrophobicContact CD1-CG2 3.42Å; I178-V281 VanDerWaalsContact CD1-CG2 3.42Å; I178-V281 HydrophobicContact CG1-CG2 4.46Å; K181-V281 HydrophobicContact CB-CG1 4.15Å; K181-V281 HydrophobicContact CB-CG2 3.96Å; I182-V281 HydrophobicContact CG2-CB 4.35Å; I182-V281 HydrophobicContact CG2-CG2 4.04Å; L271-V281 HydrophobicContact CD1-CG2 4.4Å; S278-V281 WeakPolarHBondContact O-CB 3.48Å; S278-V281 PolarHBondContact O-N 3.16Å; M279-V281 PolarHBondContact O-N 2.87Å; V281-R284 PolarHBondContact O-N 3.29Å; V281-T285 PolarHBondContact O-N 2.7Å; V281-T285 PolarHBondContact O-OG1 3.16Å
282	Y	96.3	Very high	95.3	Very high	130 Å²	130	68.7 Å²	68.7	51%	0.51	37%	0.372	S	S	.	.	H	α-helix	trans	-68.5	-39.7	178.5	-61.9	-77.8	0	0	0	112.2	S278 M279 R284 T285 L286	S278-Y282 VanDerWaalsContact O-CD2 3.3Å; S278-Y282 WeakPolarHBondContact O-CD2 3.35Å; M279-Y282 PolarHBondContact O-N 2.86Å; M279-Y282 VanDerWaalsContact O-N 3.08Å; Y282-R284 VanDerWaalsContact C-N 3.3Å; Y282-R284 PolarHBondContact O-N 3.4Å; Y282-T285 PolarHBondContact O-N 3.03Å; Y282-T285 VanDerWaalsContact O-N 3.14Å; Y282-L286 WeakPolarHBondContact O-CB 3.48Å; Y282-L286 WeakPolarHBondContact O-CG 3.49Å; Y282-L286 PolarHBondContact O-N 2.96Å
283	I	97.1	Very high	95.3	Very high	47 Å²	47	76.6 Å²	76.6	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-62.7	-39.2	177.3	-62.3	166.8	0	0	0	110.5	M279 A280 T285 A287 L290 F291	M279-I283 WeakPolarHBondContact O-CG1 3.47Å; M279-I283 PolarHBondContact O-N 3.3Å; A280-I283 PolarHBondContact O-N 2.87Å; I283-T285 VanDerWaalsContact C-N 3.27Å; I283-T285 PolarHBondContact O-N 3.48Å; I283-A287 HydrophobicContact CG2-CB 4.37Å; I283-A287 CarbonylContact O-C 3.52Å; I283-A287 WeakPolarHBondContact O-CA 3.21Å; I283-A287 PolarHBondContact O-N 3.06Å; I283-A287 VanDerWaalsContact O-O 3.14Å; I283-L290 HydrophobicContact CG2-CB 4.43Å; I283-L290 HydrophobicContact CG2-CD2 4.2Å; I283-L290 HydrophobicContact CG2-CG 4.27Å; I283-F291 HydrophobicContact CG2-CB 4.03Å
284	R	96.8	Very high	95.5	Very high	74 Å²	74	79.2 Å²	79.2	28%	0.279	41%	0.413	S	S	.	.	H	α-helix	trans	-57	-42	174.6	177.1	179.5	173.8	79.2	-3.7	111.9	K181 I182 A280 V281 Y282 P288 F291	K181-R284 WeakPolarHBondContact O-CD 3.49Å; I182-R284 HydrophobicContact CG2-CB 4.09Å; A280-R284 WeakPolarHBondContact O-CB 3.49Å; A280-R284 PolarHBondContact O-N 2.85Å; V281-R284 PolarHBondContact O-N 3.29Å; Y282-R284 VanDerWaalsContact C-N 3.3Å; Y282-R284 PolarHBondContact O-N 3.4Å; R284-P288 WeakPolarHBondContact O-CB 3.33Å; R284-F291 HydrophobicContact CB-CB 4.42Å; R284-F291 HydrophobicContact CB-CD1 4.12Å; R284-F291 HydrophobicContact CB-CD2 3.84Å; R284-F291 HydrophobicContact CB-CE1 4.41Å; R284-F291 HydrophobicContact CB-CE2 4.13Å; R284-F291 HydrophobicContact CB-CG 3.85Å; R284-F291 HydrophobicContact CB-CZ 4.42Å; R284-F291 HydrophobicContact CG-CD1 4.12Å; R284-F291 HydrophobicContact CG-CE1 4.26Å; R284-F291 HydrophobicContact CG-CG 4.35Å
285	T	95.9	Very high	95.8	Very high	107 Å²	107	75.4 Å²	75.4	66%	0.656	39%	0.392	S	S	*	.	H	α-helix	trans	-79	-47.6	-178.1	-54.9	0	0	0	0	112.6	V281 Y282 I283	V281-T285 PolarHBondContact O-N 2.7Å; V281-T285 PolarHBondContact O-OG1 3.16Å; Y282-T285 PolarHBondContact O-N 3.03Å; Y282-T285 VanDerWaalsContact O-N 3.14Å; I283-T285 VanDerWaalsContact C-N 3.27Å; I283-T285 PolarHBondContact O-N 3.48Å
286	L	97.9	Very high	96.1	Very high	141 Å²	141	69.8 Å²	69.8	74%	0.738	38%	0.375	S	S	*	.	H	α-helix	trans	-86.9	-28.5	-170.9	-60.7	175.5	0	0	0	113.2	Y282	Y282-L286 WeakPolarHBondContact O-CB 3.48Å; Y282-L286 WeakPolarHBondContact O-CG 3.49Å; Y282-L286 PolarHBondContact O-N 2.96Å
287	A	97.4	Very high	96.3	Very high	39 Å²	39	67.3 Å²	67.3	32%	0.322	36%	0.362	S	S	.	.			trans	-141.5	62	-177.3	0	0	0	0	0	111.4	I283 G289 L290 F291	I283-A287 HydrophobicContact CG2-CB 4.37Å; I283-A287 CarbonylContact O-C 3.52Å; I283-A287 WeakPolarHBondContact O-CA 3.21Å; I283-A287 PolarHBondContact O-N 3.06Å; I283-A287 VanDerWaalsContact O-O 3.14Å; A287-G289 VanDerWaalsContact C-N 3.27Å; A287-G289 PolarHBondContact O-N 3.43Å; A287-L290 HydrophobicContact CB-CB 4.14Å; A287-L290 WeakPolarHBondContact O-CB 3.37Å; A287-L290 PolarHBondContact O-N 2.97Å; A287-F291 PolarHBondContact O-N 3.21Å; A287-F291 VanDerWaalsContact O-N 3.07Å
288	P	96.9	Very high	96.4	Very high	60 Å²	60	69.1 Å²	69.1	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-56.9	-37.8	-172.8	20.1	-32.5	0	0	0	113.1	R284 L290 F291 F292	R284-P288 WeakPolarHBondContact O-CB 3.33Å; P288-L290 VanDerWaalsContact C-N 3.32Å; P288-L290 PolarHBondContact O-N 3.18Å; P288-F291 PolarHBondContact O-N 3.34Å; P288-F292 HydrophobicContact CB-CD2 4.28Å; P288-F292 HydrophobicContact CB-CE2 3.9Å; P288-F292 WeakPolarHBondContact O-CD2 3.27Å; P288-F292 WeakPolarHBondContact O-CG 3.38Å; P288-F292 PolarHBondContact O-N 2.61Å
289	G	97.8	Very high	96.5	Very high	42 Å²	42	69.1 Å²	69.1	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176	0	0	0	0	0	113.1	A287 R293	A287-G289 VanDerWaalsContact C-N 3.27Å; A287-G289 PolarHBondContact O-N 3.43Å; G289-R293 VanDerWaalsContact O-CG 3.28Å; G289-R293 WeakPolarHBondContact O-CG 3.38Å; G289-R293 PolarHBondContact O-N 2.74Å
290	L	97.2	Very high	96.4	Very high	87 Å²	87	72.9 Å²	72.9	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-68.4	-47	175	177.1	60.4	0	0	0	110.8	I283 A287 P288 F292 R293 I294	I283-L290 HydrophobicContact CG2-CB 4.43Å; I283-L290 HydrophobicContact CG2-CD2 4.2Å; I283-L290 HydrophobicContact CG2-CG 4.27Å; A287-L290 HydrophobicContact CB-CB 4.14Å; A287-L290 WeakPolarHBondContact O-CB 3.37Å; A287-L290 PolarHBondContact O-N 2.97Å; P288-L290 VanDerWaalsContact C-N 3.32Å; P288-L290 PolarHBondContact O-N 3.18Å; L290-F292 VanDerWaalsContact C-N 3.33Å; L290-F292 PolarHBondContact O-N 2.83Å; L290-R293 PolarHBondContact O-N 2.82Å; L290-I294 HydrophobicContact CD1-CD1 4.13Å; L290-I294 HydrophobicContact CD1-CG1 4.31Å; L290-I294 HydrophobicContact CG-CD1 4Å; L290-I294 WeakPolarHBondContact O-CG1 3.27Å; L290-I294 PolarHBondContact O-N 2.87Å
291	F	97.7	Very high	96.1	Very high	4 Å²	4	79.8 Å²	79.8	2%	0.018	40%	0.402	C	S	.	.	H	α-helix	trans	-53.7	-49.8	177.2	177.7	-96.4	0	0	0	111.6	I182 A280 I283 R284 A287 P288 R293 I294 M295	I182-F291 HydrophobicContact CB-CE2 4.09Å; I182-F291 HydrophobicContact CB-CZ 3.9Å; I182-F291 HydrophobicContact CG2-CE2 4.03Å; I182-F291 HydrophobicContact CG2-CZ 4.22Å; A280-F291 HydrophobicContact CB-CE2 4.42Å; I283-F291 HydrophobicContact CG2-CB 4.03Å; R284-F291 HydrophobicContact CB-CB 4.42Å; R284-F291 HydrophobicContact CB-CD1 4.12Å; R284-F291 HydrophobicContact CB-CD2 3.84Å; R284-F291 HydrophobicContact CB-CE1 4.41Å; R284-F291 HydrophobicContact CB-CE2 4.13Å; R284-F291 HydrophobicContact CB-CG 3.85Å; R284-F291 HydrophobicContact CB-CZ 4.42Å; R284-F291 HydrophobicContact CG-CD1 4.12Å; R284-F291 HydrophobicContact CG-CE1 4.26Å; R284-F291 HydrophobicContact CG-CG 4.35Å; A287-F291 PolarHBondContact O-N 3.21Å; A287-F291 VanDerWaalsContact O-N 3.07Å; P288-F291 PolarHBondContact O-N 3.34Å; F291-R293 PolarHBondContact O-N 2.99Å; F291-I294 PolarHBondContact O-N 3.14Å; F291-M295 HydrophobicContact CD1-CG 4.09Å; F291-M295 HydrophobicContact CE1-CG 3.56Å; F291-M295 HydrophobicContact CE1-SD 4.49Å; F291-M295 HydrophobicContact CE2-CE 4.21Å; F291-M295 HydrophobicContact CE2-CG 4.15Å; F291-M295 HydrophobicContact CE2-SD 4.31Å; F291-M295 HydrophobicContact CZ-CE 4.42Å; F291-M295 HydrophobicContact CZ-CG 3.57Å; F291-M295 HydrophobicContact CZ-SD 3.92Å; F291-M295 WeakPolarHBondContact O-CG 3.27Å; F291-M295 PolarHBondContact O-N 3.08Å
292	F	97.4	Very high	95.6	Very high	111 Å²	111	81.1 Å²	81.1	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-33	-178.4	-64.9	-49	0	0	0	112.9	P288 L290 M295 A296	P288-F292 HydrophobicContact CB-CD2 4.28Å; P288-F292 HydrophobicContact CB-CE2 3.9Å; P288-F292 WeakPolarHBondContact O-CD2 3.27Å; P288-F292 WeakPolarHBondContact O-CG 3.38Å; P288-F292 PolarHBondContact O-N 2.61Å; L290-F292 VanDerWaalsContact C-N 3.33Å; L290-F292 PolarHBondContact O-N 2.83Å; F292-M295 PolarHBondContact O-N 3.06Å; F292-A296 WeakPolarHBondContact O-CB 3.43Å; F292-A296 PolarHBondContact O-N 3.41Å
293	R	97.4	Very high	94.9	Very high	185 Å²	185	82.5 Å²	82.5	70%	0.698	41%	0.411	S	S	*	.	H	α-helix	trans	-63.4	-42.8	170.7	-72.1	175.1	-157.7	169.9	5.1	112	G289 L290 F291 A296 S297	G289-R293 VanDerWaalsContact O-CG 3.28Å; G289-R293 WeakPolarHBondContact O-CG 3.38Å; G289-R293 PolarHBondContact O-N 2.74Å; L290-R293 PolarHBondContact O-N 2.82Å; F291-R293 PolarHBondContact O-N 2.99Å; R293-A296 PolarHBondContact O-N 2.97Å; R293-S297 WeakPolarHBondContact O-CB 3.41Å; R293-S297 PolarHBondContact O-N 3.45Å
294	I	96.4	Very high	93.8	Very high	79 Å²	79	87.5 Å²	87.5	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-62.8	-45.7	176.5	-63.8	167.5	0	0	0	109.9	L290 F291 A296 S297 R298	L290-I294 HydrophobicContact CD1-CD1 4.13Å; L290-I294 HydrophobicContact CD1-CG1 4.31Å; L290-I294 HydrophobicContact CG-CD1 4Å; L290-I294 WeakPolarHBondContact O-CG1 3.27Å; L290-I294 PolarHBondContact O-N 2.87Å; F291-I294 PolarHBondContact O-N 3.14Å; I294-A296 PolarHBondContact O-N 3.19Å; I294-S297 WeakPolarHBondContact O-CB 3.48Å; I294-S297 PolarHBondContact O-N 3.41Å; I294-R298 WeakPolarHBondContact O-CB 3.11Å; I294-R298 PolarHBondContact O-N 3.36Å
295	M	96.7	Very high	92.5	Very high	29 Å²	29	88.3 Å²	88.3	14%	0.143	45%	0.448	C	S	.	.	H	α-helix	trans	-63.2	-40.9	177.8	-68.2	-56.1	99.4	0	0	112.4	I184 P185 F291 F292 R298 A299	I184-M295 HydrophobicContact CG2-SD 4.19Å; P185-M295 WeakPolarHBondContact CG-O 3.23Å; F291-M295 HydrophobicContact CD1-CG 4.09Å; F291-M295 HydrophobicContact CE1-CG 3.56Å; F291-M295 HydrophobicContact CE1-SD 4.49Å; F291-M295 HydrophobicContact CE2-CE 4.21Å; F291-M295 HydrophobicContact CE2-CG 4.15Å; F291-M295 HydrophobicContact CE2-SD 4.31Å; F291-M295 HydrophobicContact CZ-CE 4.42Å; F291-M295 HydrophobicContact CZ-CG 3.57Å; F291-M295 HydrophobicContact CZ-SD 3.92Å; F291-M295 WeakPolarHBondContact O-CG 3.27Å; F291-M295 PolarHBondContact O-N 3.08Å; F292-M295 PolarHBondContact O-N 3.06Å; M295-R298 PolarHBondContact O-N 2.8Å; M295-A299 PolarHBondContact O-N 3.22Å
296	A	96.2	Very high	91	Very high	41 Å²	41	89.9 Å²	89.9	34%	0.339	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-40.7	174.8	0	0	0	0	0	112.1	F292 R293 I294 A299 R300	F292-A296 WeakPolarHBondContact O-CB 3.43Å; F292-A296 PolarHBondContact O-N 3.41Å; R293-A296 PolarHBondContact O-N 2.97Å; I294-A296 PolarHBondContact O-N 3.19Å; A296-A299 PolarHBondContact O-N 3.39Å; A296-R300 WeakPolarHBondContact O-CG 3.5Å; A296-R300 PolarHBondContact O-N 2.97Å; A296-R300 VanDerWaalsContact O-N 3.11Å
297	S	95.5	Very high	89.1	Confident	62 Å²	62	87.9 Å²	87.9	43%	0.434	44%	0.444	S	S	.	.	H	α-helix	trans	-62.3	-45	174.4	-170.3	0	0	0	0	111.9	R293 I294 A299 R300 K301	R293-S297 WeakPolarHBondContact O-CB 3.41Å; R293-S297 PolarHBondContact O-N 3.45Å; I294-S297 WeakPolarHBondContact O-CB 3.48Å; I294-S297 PolarHBondContact O-N 3.41Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 3.41Å; S297-R300 PolarHBondContact O-N 3.04Å; S297-K301 PolarHBondContact O-N 2.68Å; S297-K301 VanDerWaalsContact O-N 3.07Å
298	R	94.1	Very high	86.6	Confident	78 Å²	78	93.4 Å²	93.4	29%	0.294	48%	0.48	S	S	.	.	H	α-helix	trans	-58.5	-44.8	174.6	-176.5	175.4	178.5	140.9	0.2	111.8	I294 M295 R300 K301 E302	I294-R298 WeakPolarHBondContact O-CB 3.11Å; I294-R298 PolarHBondContact O-N 3.36Å; M295-R298 PolarHBondContact O-N 2.8Å; R298-R300 VanDerWaalsContact C-N 3.33Å; R298-R300 PolarHBondContact O-N 3.32Å; R298-K301 PolarHBondContact O-N 3.28Å; R298-E302 IonicContact CZ-OE1 3.82Å; R298-E302 IonicContact NE-OE1 3.15Å; R298-E302 PolarHBondContact NE-OE1 2.91Å; R298-E302 IonicContact NH2-OE1 2.65Å; R298-E302 PolarHBondContact NH2-OE1 3.23Å; R298-E302 PolarHBondContact O-N 3.46Å
299	A	94.1	Very high	86.1	Confident	23 Å²	23	95.1 Å²	95.1	19%	0.19	48%	0.484	C	S	.	.	H	α-helix	trans	-59.3	-42.5	177.8	0	0	0	0	0	112.4	P185 F186 M295 A296 S297 R303	P185-A299 HydrophobicContact CB-CB 3.84Å; P185-A299 HydrophobicContact CG-CB 3.77Å; F186-A299 HydrophobicContact CE2-CB 4.34Å; F186-A299 HydrophobicContact CZ-CB 4.35Å; M295-A299 PolarHBondContact O-N 3.22Å; A296-A299 PolarHBondContact O-N 3.39Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 3.41Å; A299-R303 PolarHBondContact O-N 3.3Å; A299-R303 VanDerWaalsContact O-N 3.12Å
300	R	93.9	Very high	85.4	Confident	150 Å²	150	97.8 Å²	97.8	57%	0.566	49%	0.487	S	S	*	.	H	α-helix	trans	-63.9	-42	176.5	-71	-173.4	-65.2	-92.8	4.4	112.4	A296 S297 R298 R303 K304	A296-R300 WeakPolarHBondContact O-CG 3.5Å; A296-R300 PolarHBondContact O-N 2.97Å; A296-R300 VanDerWaalsContact O-N 3.11Å; S297-R300 PolarHBondContact O-N 3.04Å; R298-R300 VanDerWaalsContact C-N 3.33Å; R298-R300 PolarHBondContact O-N 3.32Å; R300-R303 PolarHBondContact O-N 3.48Å; R300-K304 PolarHBondContact O-N 3.34Å
301	K	90	Very high	84.8	Confident	165 Å²	165	98.4 Å²	98.4	72%	0.717	49%	0.489	S	S	*	.	H	α-helix	trans	-64.7	-44.8	179.4	-171.8	177.3	-178.5	177.4	0	111.9	S297 R298 K304 S305	S297-K301 PolarHBondContact O-N 2.68Å; S297-K301 VanDerWaalsContact O-N 3.07Å; R298-K301 PolarHBondContact O-N 3.28Å; K301-K304 PolarHBondContact O-N 3.04Å; K301-S305 PolarHBondContact O-N 3.46Å
302	E	84.6	Confident	84	Confident	50 Å²	50	104 Å²	104	23%	0.234	52%	0.517	C	S	.	.	H	α-helix	trans	-68.4	-32.8	179.5	-72.3	-176.9	-154.7	0	0	112.5	F186 R298	F186-E302 HydrophobicContact CD2-CB 4.23Å; F186-E302 WeakPolarHBondContact CD2-OE2 3.48Å; F186-E302 HydrophobicContact CE2-CB 3.69Å; R298-E302 IonicContact CZ-OE1 3.82Å; R298-E302 IonicContact NE-OE1 3.15Å; R298-E302 PolarHBondContact NE-OE1 2.91Å; R298-E302 IonicContact NH2-OE1 2.65Å; R298-E302 PolarHBondContact NH2-OE1 3.23Å; R298-E302 PolarHBondContact O-N 3.46Å
303	R	82.7	Confident	83.2	Confident	158 Å²	158	103.6 Å²	103.6	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-62.5	-48.2	171.3	-79.3	-179.2	179.4	176.7	-1.8	112.3	F186 A299 R300 S305 K306 S307	F186-R303 HydrophobicContact CE1-CG 4.32Å; F186-R303 HydrophobicContact CZ-CG 3.85Å; A299-R303 PolarHBondContact O-N 3.3Å; A299-R303 VanDerWaalsContact O-N 3.12Å; R300-R303 PolarHBondContact O-N 3.48Å; R303-S305 VanDerWaalsContact C-N 3.27Å; R303-S305 PolarHBondContact O-N 3.24Å; R303-K306 PolarHBondContact O-N 3.18Å; R303-S307 PolarHBondContact O-N 3.22Å; R303-S307 PolarHBondContact O-OG 3.1Å
304	K	73	Confident	82.2	Confident	152 Å²	152	98.1 Å²	98.1	66%	0.661	51%	0.507	S	S	*	.	H	α-helix	trans	-58.3	-39.8	179.5	-72.9	-175.3	177.3	-168.7	0	112.3	R300 K301 K306 S307 S308	R300-K304 PolarHBondContact O-N 3.34Å; K301-K304 PolarHBondContact O-N 3.04Å; K304-K306 PolarHBondContact O-N 3.39Å; K304-S307 PolarHBondContact O-N 3.02Å; K304-S307 PolarHBondContact O-OG 3.31Å; K304-S308 PolarHBondContact O-N 3.26Å; K304-S308 PolarHBondContact O-OG 3.31Å
305	S	69.8	Low	81.2	Confident	91 Å²	91	99.5 Å²	99.5	64%	0.636	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.2	178	-174.7	0	0	0	0	114.6	K301 R303	K301-S305 PolarHBondContact O-N 3.46Å; R303-S305 VanDerWaalsContact C-N 3.27Å; R303-S305 PolarHBondContact O-N 3.24Å
306	K	63.4	Low	80	Confident	141 Å²	141	104.9 Å²	104.9	61%	0.613	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-16.5	177.8	-71	-173.9	175.5	-167.7	0	113	R303 K304	R303-K306 PolarHBondContact O-N 3.18Å; K304-K306 PolarHBondContact O-N 3.39Å
307	S	58.8	Low	78.7	Confident	99 Å²	99	110.3 Å²	110.3	69%	0.692	56%	0.559	S	S	*	*			trans	-97.7	-0.6	178.1	58.2	0	0	0	0	113.4	R303 K304	R303-S307 PolarHBondContact O-N 3.22Å; R303-S307 PolarHBondContact O-OG 3.1Å; K304-S307 PolarHBondContact O-N 3.02Å; K304-S307 PolarHBondContact O-OG 3.31Å
308	S	44.5	Very low	77.2	Confident	154 Å²	154	114.6 Å²	114.6	100%	1.077	57%	0.571	S	S	*	*			trans	-118	0	177.2	-62.5	0	0	0	0	108.7	K304	K304-S308 PolarHBondContact O-N 3.26Å; K304-S308 PolarHBondContact O-OG 3.31Å

Retrieved 308 of 308 residues in 169.1 ms (Link to these results)

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