A0A087XE16_POEFO Loading...

Short chain dehydrogenase/reductase family 16C, member 5a

AlphaFold DB , UniProt , Accession A0A087XE16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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	Y	59.9	Low	78.8	Confident	231 Å²	231	127.5 Å²	127.5	91%	0.906	59%	0.589	S	S	*	*				0	-59.8	0	-95.9	-88.4	0	0	0	113.5	L3 I4 M5	Y1-L3 PolarHBondContact O-N 2.84Å; Y1-I4 PolarHBondContact O-N 3.43Å; Y1-M5 WeakPolarHBondContact O-CB 3.45Å; Y1-M5 PolarHBondContact O-N 3.11Å
2	R	60.6	Low	80.1	Confident	217 Å²	217	125.8 Å²	125.8	82%	0.819	59%	0.586	S	S	*	*	H	α-helix	trans	-60.3	-42.7	-178.4	-144	175.8	-171.6	-177.4	1.4	114.4	M5 N6	R2-M5 PolarHBondContact O-N 3.47Å; R2-N6 VanDerWaalsContact O-CG 3.32Å; R2-N6 PolarHBondContact O-N 3.31Å; R2-N6 PolarHBondContact O-OD1 2.79Å
3	L	66.8	Low	81.1	Confident	154 Å²	154	125.3 Å²	125.3	81%	0.806	58%	0.583	S	S	*	*	H	α-helix	trans	-63.3	-40.7	175.1	-120.1	102.3	0	0	0	113	Y1 N6 F7	Y1-L3 PolarHBondContact O-N 2.84Å; L3-N6 PolarHBondContact O-N 2.86Å; L3-F7 PolarHBondContact O-N 3.39Å
4	I	68.6	Low	82.1	Confident	104 Å²	104	123.2 Å²	123.2	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-69.6	-43.4	180	-65.3	172.3	0	0	0	109.9	Y1 N6 F7 F8	Y1-I4 PolarHBondContact O-N 3.43Å; I4-N6 VanDerWaalsContact C-N 3.34Å; I4-N6 PolarHBondContact O-N 2.71Å; I4-F7 PolarHBondContact O-N 2.93Å; I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.46Å; I4-F8 VanDerWaalsContact CG2-CE2 3.46Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 3.17Å
5	M	69.1	Low	83	Confident	110 Å²	110	123.5 Å²	123.5	54%	0.542	59%	0.589	S	S	.	*	H	α-helix	trans	-60.3	-42.7	175.1	-164.4	81.3	73.4	0	0	111.6	Y1 R2 F8 L9	Y1-M5 WeakPolarHBondContact O-CB 3.45Å; Y1-M5 PolarHBondContact O-N 3.11Å; R2-M5 PolarHBondContact O-N 3.47Å; M5-F8 PolarHBondContact O-N 3.28Å; M5-L9 HydrophobicContact CG-CD1 4.27Å; M5-L9 WeakPolarHBondContact O-CG 3.28Å; M5-L9 PolarHBondContact O-N 2.86Å
6	N	82.8	Confident	83.8	Confident	78 Å²	78	124.6 Å²	124.6	42%	0.417	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-44.8	175.6	-74.7	9.4	0	0	0	111.6	R2 L3 I4 F8 L9 E10	R2-N6 VanDerWaalsContact O-CG 3.32Å; R2-N6 PolarHBondContact O-N 3.31Å; R2-N6 PolarHBondContact O-OD1 2.79Å; L3-N6 PolarHBondContact O-N 2.86Å; I4-N6 VanDerWaalsContact C-N 3.34Å; I4-N6 PolarHBondContact O-N 2.71Å; N6-F8 VanDerWaalsContact C-N 3.34Å; N6-F8 PolarHBondContact O-N 2.79Å; N6-L9 PolarHBondContact O-N 3.35Å; N6-E10 VanDerWaalsContact O-CB 3.3Å; N6-E10 WeakPolarHBondContact O-CB 3.42Å; N6-E10 VanDerWaalsContact O-CG 3.25Å; N6-E10 WeakPolarHBondContact O-CG 3.41Å; N6-E10 PolarHBondContact O-N 3.42Å
7	F	90.6	Very high	84.4	Confident	130 Å²	130	120.5 Å²	120.5	57%	0.57	57%	0.573	S	S	*	*	H	α-helix	trans	-57	-45.3	175.7	173.5	-95.5	0	0	0	112.4	L3 I4 S11	L3-F7 PolarHBondContact O-N 3.39Å; I4-F7 PolarHBondContact O-N 2.93Å; F7-S11 VanDerWaalsContact O-CB 3.23Å; F7-S11 WeakPolarHBondContact O-CB 3.37Å; F7-S11 PolarHBondContact O-N 3.21Å; F7-S11 PolarHBondContact O-OG 3.16Å
8	F	91.1	Very high	84.9	Confident	123 Å²	123	117.1 Å²	117.1	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-45.3	178.1	-81	-69.9	0	0	0	112.2	I4 M5 N6 S11 I12	I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.46Å; I4-F8 VanDerWaalsContact CG2-CE2 3.46Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 3.17Å; M5-F8 PolarHBondContact O-N 3.28Å; N6-F8 VanDerWaalsContact C-N 3.34Å; N6-F8 PolarHBondContact O-N 2.79Å; F8-S11 PolarHBondContact O-N 3.33Å; F8-I12 VanDerWaalsContact O-CG1 3.31Å; F8-I12 WeakPolarHBondContact O-CG1 3.46Å; F8-I12 PolarHBondContact O-N 3.39Å
9	L	91	Very high	85.4	Confident	105 Å²	105	116.6 Å²	116.6	55%	0.55	56%	0.564	S	S	.	*	H	α-helix	trans	-65.7	-45	179.4	-70.7	171.9	0	0	0	112.1	M5 N6 S11 I12 Q13	M5-L9 HydrophobicContact CG-CD1 4.27Å; M5-L9 WeakPolarHBondContact O-CG 3.28Å; M5-L9 PolarHBondContact O-N 2.86Å; N6-L9 PolarHBondContact O-N 3.35Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.42Å; L9-I12 PolarHBondContact O-N 2.75Å; L9-Q13 WeakPolarHBondContact O-CB 3.47Å; L9-Q13 PolarHBondContact O-N 2.85Å
10	E	92.5	Very high	85.9	Confident	112 Å²	112	117.5 Å²	117.5	52%	0.523	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-41.7	175.3	-72.7	170.9	-158.2	0	0	110.9	N6 I12 Q13 V14	N6-E10 VanDerWaalsContact O-CB 3.3Å; N6-E10 WeakPolarHBondContact O-CB 3.42Å; N6-E10 VanDerWaalsContact O-CG 3.25Å; N6-E10 WeakPolarHBondContact O-CG 3.41Å; N6-E10 PolarHBondContact O-N 3.42Å; E10-I12 PolarHBondContact O-N 3.21Å; E10-Q13 PolarHBondContact O-N 3.45Å; E10-V14 VanDerWaalsContact O-CG2 3.3Å; E10-V14 WeakPolarHBondContact O-CG2 3.04Å; E10-V14 PolarHBondContact O-N 2.93Å
11	S	93.7	Very high	86.2	Confident	39 Å²	39	118 Å²	118	27%	0.273	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-43.4	176.6	-62.4	0	0	0	0	112.1	F7 F8 L9 V14 L15	F7-S11 VanDerWaalsContact O-CB 3.23Å; F7-S11 WeakPolarHBondContact O-CB 3.37Å; F7-S11 PolarHBondContact O-N 3.21Å; F7-S11 PolarHBondContact O-OG 3.16Å; F8-S11 PolarHBondContact O-N 3.33Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.42Å; S11-V14 PolarHBondContact O-N 3.36Å; S11-L15 WeakPolarHBondContact O-CG 3.32Å; S11-L15 PolarHBondContact O-N 3.01Å
12	I	94.8	Very high	87.7	Confident	107 Å²	107	112 Å²	112	55%	0.549	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-44.2	175.9	-70.3	166.3	0	0	0	110.5	F8 L9 E10 V14 L15 F16	F8-I12 VanDerWaalsContact O-CG1 3.31Å; F8-I12 WeakPolarHBondContact O-CG1 3.46Å; F8-I12 PolarHBondContact O-N 3.39Å; L9-I12 PolarHBondContact O-N 2.75Å; E10-I12 PolarHBondContact O-N 3.21Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.42Å; I12-L15 PolarHBondContact O-N 3.47Å; I12-F16 WeakPolarHBondContact O-CB 3.49Å; I12-F16 PolarHBondContact O-N 3.27Å
13	Q	93.5	Very high	89.3	Confident	119 Å²	119	105.3 Å²	105.3	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-59.4	-45.3	176.5	-178.5	-179.2	-3.5	0	0	111.2	L9 E10 L15 F16 L17	L9-Q13 WeakPolarHBondContact O-CB 3.47Å; L9-Q13 PolarHBondContact O-N 2.85Å; E10-Q13 PolarHBondContact O-N 3.45Å; Q13-L15 PolarHBondContact O-N 3.3Å; Q13-F16 PolarHBondContact O-N 3.07Å; Q13-L17 HydrophobicContact CG-CD1 3.84Å; Q13-L17 HydrophobicContact CG-CG 4.32Å; Q13-L17 WeakPolarHBondContact O-CB 3.45Å; Q13-L17 VanDerWaalsContact O-CG 3.31Å; Q13-L17 WeakPolarHBondContact O-CG 3.4Å; Q13-L17 PolarHBondContact O-N 3.16Å
14	V	94.5	Very high	90.4	Very high	96 Å²	96	101.8 Å²	101.8	58%	0.582	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-43.8	176.8	168.8	0	0	0	0	111.4	E10 S11 I12 S18	E10-V14 VanDerWaalsContact O-CG2 3.3Å; E10-V14 WeakPolarHBondContact O-CG2 3.04Å; E10-V14 PolarHBondContact O-N 2.93Å; S11-V14 PolarHBondContact O-N 3.36Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.42Å; V14-S18 WeakPolarHBondContact O-CB 3.34Å; V14-S18 PolarHBondContact O-N 3.23Å
15	L	95	Very high	91.3	Very high	127 Å²	127	100 Å²	100	67%	0.665	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-45.5	177.7	-71.9	171.8	0	0	0	111.8	S11 I12 Q13 S18 L19	S11-L15 WeakPolarHBondContact O-CG 3.32Å; S11-L15 PolarHBondContact O-N 3.01Å; I12-L15 PolarHBondContact O-N 3.47Å; Q13-L15 PolarHBondContact O-N 3.3Å; L15-S18 PolarHBondContact O-N 3.43Å; L15-L19 PolarHBondContact O-N 2.92Å
16	F	95.9	Very high	92.3	Very high	142 Å²	142	101.1 Å²	101.1	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-49.3	178.7	-179.2	-94.8	0	0	0	111.8	I12 Q13 S18 L19 W20	I12-F16 WeakPolarHBondContact O-CB 3.49Å; I12-F16 PolarHBondContact O-N 3.27Å; Q13-F16 PolarHBondContact O-N 3.07Å; F16-S18 VanDerWaalsContact C-N 3.33Å; F16-S18 PolarHBondContact O-N 2.91Å; F16-L19 PolarHBondContact O-N 3.01Å; F16-W20 WeakPolarHBondContact O-CB 3.28Å; F16-W20 PolarHBondContact O-N 3.3Å
17	L	94.5	Very high	92.7	Very high	54 Å²	54	101.2 Å²	101.2	28%	0.283	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-39.5	178	-71.7	177.2	0	0	0	111.7	Q13 W20 Y21	Q13-L17 HydrophobicContact CG-CD1 3.84Å; Q13-L17 HydrophobicContact CG-CG 4.32Å; Q13-L17 WeakPolarHBondContact O-CB 3.45Å; Q13-L17 VanDerWaalsContact O-CG 3.31Å; Q13-L17 WeakPolarHBondContact O-CG 3.4Å; Q13-L17 PolarHBondContact O-N 3.16Å; L17-W20 PolarHBondContact O-N 3.45Å; L17-Y21 HydrophobicContact CB-CD2 4.3Å; L17-Y21 HydrophobicContact CB-CE2 3.85Å; L17-Y21 WeakPolarHBondContact O-CB 3.48Å; L17-Y21 WeakPolarHBondContact O-CD2 3.49Å; L17-Y21 PolarHBondContact O-N 3.06Å
18	S	93.3	Very high	92.5	Very high	59 Å²	59	98.2 Å²	98.2	41%	0.413	49%	0.487	S	S	.	.	H	α-helix	trans	-59.7	-48.2	174.9	-178.7	0	0	0	0	111.1	V14 L15 F16 W20 Y21 N22	V14-S18 WeakPolarHBondContact O-CB 3.34Å; V14-S18 PolarHBondContact O-N 3.23Å; L15-S18 PolarHBondContact O-N 3.43Å; F16-S18 VanDerWaalsContact C-N 3.33Å; F16-S18 PolarHBondContact O-N 2.91Å; S18-W20 VanDerWaalsContact C-N 3.34Å; S18-W20 PolarHBondContact O-N 3.03Å; S18-Y21 PolarHBondContact O-N 3.23Å; S18-N22 PolarHBondContact O-N 3.3Å; S18-N22 PolarHBondContact O-ND2 3Å
19	L	95.3	Very high	92.1	Very high	109 Å²	109	98.6 Å²	98.6	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-60	-45.7	176.1	-178.8	62.1	0	0	0	111.3	L15 F16 N22 I23	L15-L19 PolarHBondContact O-N 2.92Å; F16-L19 PolarHBondContact O-N 3.01Å; L19-N22 PolarHBondContact O-N 3.35Å; L19-I23 HydrophobicContact CD1-CD1 4.32Å; L19-I23 HydrophobicContact CG-CD1 4.07Å; L19-I23 WeakPolarHBondContact O-CG1 3.35Å; L19-I23 PolarHBondContact O-N 3.31Å
20	W	94.9	Very high	91.9	Very high	134 Å²	134	100.2 Å²	100.2	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-58.5	-50.2	177.4	177.2	-102	0	0	0	112.4	F16 L17 S18 N22 I23 E24	F16-W20 WeakPolarHBondContact O-CB 3.28Å; F16-W20 PolarHBondContact O-N 3.3Å; L17-W20 PolarHBondContact O-N 3.45Å; S18-W20 VanDerWaalsContact C-N 3.34Å; S18-W20 PolarHBondContact O-N 3.03Å; W20-N22 VanDerWaalsContact C-N 3.28Å; W20-N22 PolarHBondContact O-N 3.19Å; W20-I23 WeakPolarHBondContact O-CB 3.23Å; W20-I23 PolarHBondContact O-N 2.79Å; W20-I23 VanDerWaalsContact O-N 3.1Å; W20-E24 WeakPolarHBondContact O-CB 3.37Å; W20-E24 PolarHBondContact O-N 3.11Å
21	Y	92.8	Very high	91.7	Very high	127 Å²	127	98.7 Å²	98.7	50%	0.498	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-30.4	179.9	-63.3	-39	0	0	0	112.7	L17 S18 E24 S25	L17-Y21 HydrophobicContact CB-CD2 4.3Å; L17-Y21 HydrophobicContact CB-CE2 3.85Å; L17-Y21 WeakPolarHBondContact O-CB 3.48Å; L17-Y21 WeakPolarHBondContact O-CD2 3.49Å; L17-Y21 PolarHBondContact O-N 3.06Å; S18-Y21 PolarHBondContact O-N 3.23Å; Y21-E24 WeakPolarHBondContact CD1-OE2 3.31Å; Y21-S25 WeakPolarHBondContact O-CB 3.49Å; Y21-S25 PolarHBondContact O-N 2.96Å
22	N	91.4	Very high	91.4	Very high	105 Å²	105	102 Å²	102	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-42.8	171.2	-81.9	-78.2	0	0	0	111.6	S18 L19 W20 S25 F26	S18-N22 PolarHBondContact O-N 3.3Å; S18-N22 PolarHBondContact O-ND2 3Å; L19-N22 PolarHBondContact O-N 3.35Å; W20-N22 VanDerWaalsContact C-N 3.28Å; W20-N22 PolarHBondContact O-N 3.19Å; N22-S25 PolarHBondContact O-N 3.34Å; N22-F26 WeakPolarHBondContact O-CB 3.35Å; N22-F26 PolarHBondContact O-N 2.85Å
23	I	93.1	Very high	91.1	Very high	77 Å²	77	102 Å²	102	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-47.1	174.7	-67.9	166.7	0	0	0	110.4	L19 W20 S25 F26 I27	L19-I23 HydrophobicContact CD1-CD1 4.32Å; L19-I23 HydrophobicContact CG-CD1 4.07Å; L19-I23 WeakPolarHBondContact O-CG1 3.35Å; L19-I23 PolarHBondContact O-N 3.31Å; W20-I23 WeakPolarHBondContact O-CB 3.23Å; W20-I23 PolarHBondContact O-N 2.79Å; W20-I23 VanDerWaalsContact O-N 3.1Å; I23-S25 PolarHBondContact O-N 3.33Å; I23-F26 WeakPolarHBondContact O-CB 3.28Å; I23-F26 PolarHBondContact O-N 3.23Å; I23-F26 VanDerWaalsContact O-N 3.16Å; I23-I27 HydrophobicContact CG2-CD1 3.89Å; I23-I27 HydrophobicContact CG2-CG1 4.44Å; I23-I27 WeakPolarHBondContact O-CG1 3.46Å; I23-I27 PolarHBondContact O-N 3.15Å
24	E	90.1	Very high	91.1	Very high	80 Å²	80	105.7 Å²	105.7	37%	0.374	53%	0.529	S	S	.	.	H	α-helix	trans	-58	-46.6	176.6	-177.8	-178.2	-159.5	0	0	111.5	W20 Y21 F26 I27 H28	W20-E24 WeakPolarHBondContact O-CB 3.37Å; W20-E24 PolarHBondContact O-N 3.11Å; Y21-E24 WeakPolarHBondContact CD1-OE2 3.31Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.19Å; E24-I27 PolarHBondContact O-N 3.4Å; E24-H28 PolarHBondContact O-CD2 3.04Å; E24-H28 VanDerWaalsContact O-CD2 3.22Å; E24-H28 PolarHBondContact O-N 3Å
25	S	87.6	Confident	91.2	Very high	68 Å²	68	107 Å²	107	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-60.3	-41.8	175.5	-172.2	0	0	0	0	111.8	Y21 N22 I23 H28 L29	Y21-S25 WeakPolarHBondContact O-CB 3.49Å; Y21-S25 PolarHBondContact O-N 2.96Å; N22-S25 PolarHBondContact O-N 3.34Å; I23-S25 PolarHBondContact O-N 3.33Å; S25-H28 PolarHBondContact O-N 3.31Å; S25-L29 PolarHBondContact O-N 2.85Å
26	F	90.1	Very high	91.3	Very high	133 Å²	133	103.9 Å²	103.9	58%	0.583	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-42.4	176.2	-174.7	-97.3	0	0	0	112.2	N22 I23 E24 H28 L29	N22-F26 WeakPolarHBondContact O-CB 3.35Å; N22-F26 PolarHBondContact O-N 2.85Å; I23-F26 WeakPolarHBondContact O-CB 3.28Å; I23-F26 PolarHBondContact O-N 3.23Å; I23-F26 VanDerWaalsContact O-N 3.16Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.19Å; F26-H28 PolarHBondContact O-N 3.41Å; F26-L29 HydrophobicContact CD2-CD1 3.82Å; F26-L29 HydrophobicContact CE2-CD1 4.31Å; F26-L29 VanDerWaalsContact O-CB 3.24Å; F26-L29 WeakPolarHBondContact O-CB 3.35Å; F26-L29 PolarHBondContact O-N 2.84Å
27	I	90.9	Very high	91.4	Very high	80 Å²	80	103.3 Å²	103.3	41%	0.41	51%	0.512	S	S	.	.	H	α-helix	trans	-57.8	-42	173.7	-70.2	165.8	0	0	0	110	I23 E24 L29 L30 V31	I23-I27 HydrophobicContact CG2-CD1 3.89Å; I23-I27 HydrophobicContact CG2-CG1 4.44Å; I23-I27 WeakPolarHBondContact O-CG1 3.46Å; I23-I27 PolarHBondContact O-N 3.15Å; E24-I27 PolarHBondContact O-N 3.4Å; I27-L29 PolarHBondContact O-N 2.82Å; I27-L30 PolarHBondContact O-N 2.81Å; I27-V31 HydrophobicContact CG2-CB 4.2Å; I27-V31 HydrophobicContact CG2-CG2 4.08Å; I27-V31 PolarHBondContact O-N 2.87Å
28	H	86	Confident	91.6	Very high	66 Å²	66	100.9 Å²	100.9	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-69.5	-7.3	177.8	-75.1	-49	0	0	0	115.3	E24 S25 F26 L30 V31	E24-H28 PolarHBondContact O-CD2 3.04Å; E24-H28 VanDerWaalsContact O-CD2 3.22Å; E24-H28 PolarHBondContact O-N 3Å; S25-H28 PolarHBondContact O-N 3.31Å; F26-H28 PolarHBondContact O-N 3.41Å; H28-L30 VanDerWaalsContact C-N 3.32Å; H28-V31 WeakPolarHBondContact CA-O 3.49Å; H28-V31 PolarHBondContact ND1-O 3.46Å
29	L	84	Confident	91.8	Very high	131 Å²	131	100.8 Å²	100.8	69%	0.686	50%	0.501	S	S	*	.	H	α-helix	trans	-72.6	-28.7	166.1	-61	174.2	0	0	0	112	S25 F26 I27	S25-L29 PolarHBondContact O-N 2.85Å; F26-L29 HydrophobicContact CD2-CD1 3.82Å; F26-L29 HydrophobicContact CE2-CD1 4.31Å; F26-L29 VanDerWaalsContact O-CB 3.24Å; F26-L29 WeakPolarHBondContact O-CB 3.35Å; F26-L29 PolarHBondContact O-N 2.84Å; I27-L29 PolarHBondContact O-N 2.82Å
30	L	86.9	Confident	91.9	Very high	140 Å²	140	97.8 Å²	97.8	73%	0.733	50%	0.497	S	S	*	.	H	α-helix	trans	-105.4	-35	-177.2	-58.3	178	0	0	0	112.4	I27 H28	I27-L30 PolarHBondContact O-N 2.81Å; H28-L30 VanDerWaalsContact C-N 3.32Å
31	V	88.2	Confident	92.1	Very high	80 Å²	80	93.4 Å²	93.4	49%	0.485	48%	0.482	S	S	.	.	S	Bend	trans	-109.1	119.4	-175.8	-176	0	0	0	0	110.2	I27 H28	I27-V31 HydrophobicContact CG2-CB 4.2Å; I27-V31 HydrophobicContact CG2-CG2 4.08Å; I27-V31 PolarHBondContact O-N 2.87Å; H28-V31 WeakPolarHBondContact CA-O 3.49Å; H28-V31 PolarHBondContact ND1-O 3.46Å
32	P	86.4	Confident	92.4	Very high	109 Å²	109	88.3 Å²	88.3	71%	0.708	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-58	140.1	178.5	-23.4	33	0	0	0	112.4
33	R	89.4	Confident	92.8	Very high	107 Å²	107	83.3 Å²	83.3	40%	0.404	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-63	144.1	171.5	-72.1	-174.9	175.3	-162	-2.2	110.8	K35 T260	R33-K35 PolarHBondContact O-N 3.14Å; R33-T260 HydrophobicContact CB-CG2 3.78Å
34	K	91.9	Very high	93	Very high	196 Å²	196	79.7 Å²	79.7	85%	0.852	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-60.7	131.1	172.4	-173.2	-179.4	-177.3	-176.3	0	108.9
35	K	96.8	Very high	93.5	Very high	122 Å²	122	75.9 Å²	75.9	53%	0.53	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-85.8	131.4	174	-66.1	176.2	-175.7	177.9	0	109.5	R33 L259 T260	R33-K35 PolarHBondContact O-N 3.14Å; K35-L259 CarbonylContact C-O 3.52Å; K35-L259 VanDerWaalsContact CA-O 3.27Å; K35-L259 WeakPolarHBondContact CA-O 3.38Å; K35-L259 HydrophobicContact CB-CB 4.1Å; K35-L259 HydrophobicContact CD-CD1 4.2Å; K35-L259 HydrophobicContact CG-CB 4.11Å; K35-T260 HydrophobicContact CG-CG2 4.04Å
36	K	97.3	Very high	94	Very high	62 Å²	62	72.8 Å²	72.8	27%	0.27	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-72.4	153	168.7	72	-172.9	-178.1	-170.2	0	110.8	I38 H171 V258 L259 D261	K36-I38 HydrophobicContact CD-CG2 4.46Å; K36-I38 HydrophobicContact CG-CG2 3.95Å; K36-H171 PolarHBondContact NZ-ND1 3.48Å; K36-V258 VanDerWaalsContact CE-O 3.27Å; K36-V258 WeakPolarHBondContact CE-O 3.26Å; K36-L259 PolarHBondContact N-O 3.49Å; K36-L259 WeakPolarHBondContact O-CD2 3.15Å; K36-D261 WeakPolarHBondContact CE-OD1 3.43Å; K36-D261 IonicContact NZ-OD1 2.75Å; K36-D261 PolarHBondContact NZ-OD1 2.93Å
37	N	97.8	Very high	94.4	Very high	131 Å²	131	67 Å²	67	70%	0.701	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-83.7	134.5	170.2	-172.7	6.7	0	0	0	108.6	A39	N37-A39 WeakPolarHBondContact OD1-CB 3.43Å; N37-A39 PolarHBondContact OD1-N 2.98Å
38	I	98.4	Very high	94.7	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	34%	0.338	C	S	.	.			trans	-121.7	10.5	177.7	63.4	172.5	0	0	0	112.4	K36 G40 E41 F60 H63 T65 I121 L259	K36-I38 HydrophobicContact CD-CG2 4.46Å; K36-I38 HydrophobicContact CG-CG2 3.95Å; I38-G40 PolarHBondContact O-N 3.12Å; I38-E41 HydrophobicContact CB-CB 4.34Å; I38-E41 HydrophobicContact CB-CG 3.9Å; I38-E41 HydrophobicContact CG2-CG 4.43Å; I38-E41 VanDerWaalsContact O-CB 3.22Å; I38-E41 WeakPolarHBondContact O-CB 3.41Å; I38-E41 VanDerWaalsContact O-CG 3.22Å; I38-E41 WeakPolarHBondContact O-CG 3.31Å; I38-E41 PolarHBondContact O-N 3.44Å; I38-E41 VanDerWaalsContact O-N 3.08Å; I38-F60 HydrophobicContact CD1-CD1 3.59Å; I38-F60 HydrophobicContact CD1-CE1 3.79Å; I38-H63 HydrophobicContact CD1-CB 3.89Å; I38-H63 HydrophobicContact CG1-CB 3.67Å; I38-T65 HydrophobicContact CB-CG2 4.43Å; I38-T65 HydrophobicContact CD1-CG2 3.86Å; I38-T65 HydrophobicContact CG1-CG2 3.92Å; I38-T65 WeakPolarHBondContact O-CG2 3.45Å; I38-I121 HydrophobicContact CB-CD1 4.39Å; I38-I121 HydrophobicContact CG2-CD1 4.05Å; I38-L259 HydrophobicContact CD1-CD2 3.74Å; I38-L259 HydrophobicContact CG1-CD2 3.87Å; I38-L259 HydrophobicContact CG2-CD2 3.93Å
39	A	98.5	Very high	95.3	Very high	57 Å²	57	60.2 Å²	60.2	47%	0.471	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	132	176.2	0	0	0	0	0	110.7	N37 E41 H63	N37-A39 WeakPolarHBondContact OD1-CB 3.43Å; N37-A39 PolarHBondContact OD1-N 2.98Å; A39-E41 PolarHBondContact O-N 3.42Å; A39-H63 VanDerWaalsContact CA-O 3.26Å; A39-H63 WeakPolarHBondContact CA-O 3.34Å; A39-H63 WeakPolarHBondContact CB-O 3.49Å
40	G	98.2	Very high	95.9	Very high	46 Å²	46	55.6 Å²	55.6	47%	0.474	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-9.6	-176.9	0	0	0	0	0	115.9	I38 G64	I38-G40 PolarHBondContact O-N 3.12Å; G40-G64 PolarHBondContact N-O 2.83Å
41	E	98.7	Very high	96.3	Very high	43 Å²	43	50 Å²	50	20%	0.201	28%	0.279	C	S	.	.			trans	-62.8	143.1	176.3	-64.9	-69.8	-179.9	0	0	111.4	I38 A39 V43 V66 S120 I121 H169	I38-E41 HydrophobicContact CB-CB 4.34Å; I38-E41 HydrophobicContact CB-CG 3.9Å; I38-E41 HydrophobicContact CG2-CG 4.43Å; I38-E41 VanDerWaalsContact O-CB 3.22Å; I38-E41 WeakPolarHBondContact O-CB 3.41Å; I38-E41 VanDerWaalsContact O-CG 3.22Å; I38-E41 WeakPolarHBondContact O-CG 3.31Å; I38-E41 PolarHBondContact O-N 3.44Å; I38-E41 VanDerWaalsContact O-N 3.08Å; A39-E41 PolarHBondContact O-N 3.42Å; E41-V43 HydrophobicContact CB-CG2 4.44Å; E41-V43 PolarHBondContact O-N 2.9Å; E41-V66 PolarHBondContact O-N 2.91Å; E41-S120 WeakPolarHBondContact CB-OG 3.43Å; E41-S120 WeakPolarHBondContact OE2-CB 3.33Å; E41-S120 PolarHBondContact OE2-OG 3.47Å; E41-I121 HydrophobicContact CB-CD1 4.42Å; E41-H169 VanDerWaalsContact CD-NE2 3.29Å; E41-H169 IonicContact OE1-CE1 3.9Å; E41-H169 PolarHBondContact OE1-CE1 3.01Å; E41-H169 IonicContact OE1-NE2 3.64Å; E41-H169 PolarHBondContact OE1-NE2 3.23Å; E41-H169 IonicContact OE2-CD2 3.49Å; E41-H169 IonicContact OE2-CE1 2.88Å; E41-H169 IonicContact OE2-NE2 2.71Å; E41-H169 PolarHBondContact OE2-NE2 3.37Å
42	V	98.9	Very high	96.7	Very high	20 Å²	20	46.8 Å²	46.8	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	105.8	176.4	-177.6	0	0	0	0	108.9	V66 V68 V116 D118 V119 S120 I121	V42-V66 CarbonylContact C-O 3.38Å; V42-V66 WeakPolarHBondContact CA-O 3.22Å; V42-V66 HydrophobicContact CG2-CB 4.26Å; V42-V66 HydrophobicContact CG2-CG1 4.33Å; V42-V68 HydrophobicContact CG1-CG2 3.92Å; V42-V116 HydrophobicContact CG1-CG1 3.89Å; V42-V116 HydrophobicContact CG2-CG1 4.49Å; V42-D118 WeakPolarHBondContact CB-O 3.31Å; V42-V119 HydrophobicContact CG1-CG2 4.21Å; V42-S120 PolarHBondContact N-OG 3.24Å; V42-S120 VanDerWaalsContact N-OG 3.14Å; V42-S120 PolarHBondContact O-N 2.89Å; V42-S120 PolarHBondContact O-OG 3.41Å; V42-I121 PolarHBondContact O-N 2.93Å
43	V	98.9	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.3	-175.9	-174.2	0	0	0	0	110.1	E41 I45 F60 T65 V66 L67 V68 I121 V123	E41-V43 HydrophobicContact CB-CG2 4.44Å; E41-V43 PolarHBondContact O-N 2.9Å; V43-I45 HydrophobicContact CG1-CD1 4.38Å; V43-I45 HydrophobicContact CG1-CG1 4.07Å; V43-F60 HydrophobicContact CG1-CD1 4.11Å; V43-F60 HydrophobicContact CG1-CD2 3.84Å; V43-F60 HydrophobicContact CG1-CE1 4.07Å; V43-F60 HydrophobicContact CG1-CE2 3.8Å; V43-F60 HydrophobicContact CG1-CG 4Å; V43-F60 HydrophobicContact CG1-CZ 3.91Å; V43-F60 HydrophobicContact CG2-CD1 4.12Å; V43-F60 HydrophobicContact CG2-CE1 4.34Å; V43-T65 HydrophobicContact CG2-CG2 3.86Å; V43-V66 PolarHBondContact N-O 2.77Å; V43-L67 HydrophobicContact CB-CD2 4.12Å; V43-L67 HydrophobicContact CG1-CD2 4.41Å; V43-V68 PolarHBondContact O-N 2.83Å; V43-I121 CarbonylContact C-O 3.52Å; V43-I121 WeakPolarHBondContact CA-O 3.49Å; V43-I121 HydrophobicContact CB-CB 4.31Å; V43-I121 HydrophobicContact CG1-CB 4.08Å; V43-I121 HydrophobicContact CG1-CG2 4.05Å; V43-I121 HydrophobicContact CG2-CB 3.99Å; V43-I121 HydrophobicContact CG2-CD1 4.02Å; V43-I121 HydrophobicContact CG2-CG1 4.26Å; V43-V123 HydrophobicContact CG1-CG2 4.24Å
44	L	98.9	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.4	173.1	-169	153.2	0	0	0	110.7	T46 V68 W70 V112 V119 I121 L122 V123 F160	L44-T46 HydrophobicContact CD2-CG2 3.73Å; L44-V68 CarbonylContact C-O 3.58Å; L44-V68 VanDerWaalsContact CA-O 3.3Å; L44-V68 WeakPolarHBondContact CA-O 3.32Å; L44-V68 HydrophobicContact CB-CB 4.12Å; L44-V68 HydrophobicContact CB-CG1 4.41Å; L44-V68 HydrophobicContact CD1-CB 4.38Å; L44-V68 HydrophobicContact CD1-CG1 3.79Å; L44-V68 HydrophobicContact CG-CB 4.11Å; L44-V68 HydrophobicContact CG-CG1 3.88Å; L44-W70 HydrophobicContact CD1-CD2 4.35Å; L44-W70 HydrophobicContact CD1-CZ2 3.93Å; L44-W70 HydrophobicContact CD2-CD2 4.21Å; L44-W70 HydrophobicContact CD2-CG 4.35Å; L44-V112 HydrophobicContact CD1-CG1 4.45Å; L44-V112 HydrophobicContact CD1-CG2 4.46Å; L44-V119 HydrophobicContact CB-CG1 3.7Å; L44-V119 HydrophobicContact CB-CG2 4.07Å; L44-V119 HydrophobicContact CD1-CG2 4.02Å; L44-I121 PolarHBondContact N-O 2.85Å; L44-L122 HydrophobicContact CB-CD1 4.28Å; L44-L122 HydrophobicContact CD2-CD1 3.64Å; L44-L122 HydrophobicContact CG-CD1 4.42Å; L44-V123 WeakPolarHBondContact O-CB 3.4Å; L44-V123 PolarHBondContact O-N 3.21Å; L44-F160 HydrophobicContact CD1-CD2 4.45Å; L44-F160 HydrophobicContact CD1-CE1 4.13Å; L44-F160 HydrophobicContact CD1-CE2 3.64Å; L44-F160 HydrophobicContact CD1-CZ 3.43Å; L44-F160 VanDerWaalsContact CD1-CZ 3.43Å
45	I	98.9	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.7	177.3	-52.4	170.3	0	0	0	109.3	V43 A48 M56 A57 F60 L67 V68 L69 W70 V123	V43-I45 HydrophobicContact CG1-CD1 4.38Å; V43-I45 HydrophobicContact CG1-CG1 4.07Å; I45-A48 HydrophobicContact CB-CB 4.16Å; I45-A48 HydrophobicContact CG2-CB 4.05Å; I45-A48 WeakPolarHBondContact O-CB 3.41Å; I45-M56 HydrophobicContact CD1-CB 4.38Å; I45-M56 HydrophobicContact CG2-CE 4.12Å; I45-A57 HydrophobicContact CD1-CB 3.84Å; I45-F60 HydrophobicContact CD1-CD2 3.81Å; I45-F60 HydrophobicContact CD1-CE2 4.31Å; I45-L67 HydrophobicContact CD1-CD2 4.09Å; I45-V68 PolarHBondContact N-O 3.05Å; I45-L69 HydrophobicContact CD1-CD2 4.48Å; I45-W70 PolarHBondContact O-N 3.33Å; I45-V123 HydrophobicContact CB-CB 4.41Å; I45-V123 HydrophobicContact CG1-CB 4.08Å; I45-V123 HydrophobicContact CG1-CG2 4.12Å; I45-V123 HydrophobicContact CG2-CB 4.34Å; I45-V123 HydrophobicContact CG2-CG1 4.4Å
46	T	98.9	Very high	98.1	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	147.3	171.4	68.7	0	0	0	0	111.3	L44 A48 W70 V123 N125 A126 T156	L44-T46 HydrophobicContact CD2-CG2 3.73Å; T46-A48 VanDerWaalsContact C-N 3.29Å; T46-A48 PolarHBondContact O-N 2.94Å; T46-W70 CarbonylContact C-O 2.98Å; T46-W70 HydrophobicContact CG2-CB 4.42Å; T46-W70 HydrophobicContact CG2-CE3 4.09Å; T46-V123 PolarHBondContact N-O 2.98Å; T46-V123 PolarHBondContact OG1-O 2.94Å; T46-N125 CarbonylContact O-C 3.43Å; T46-N125 VanDerWaalsContact O-CB 3.25Å; T46-N125 WeakPolarHBondContact O-CB 3.41Å; T46-N125 PolarHBondContact O-ND2 3.33Å; T46-N125 PolarHBondContact OG1-N 3.36Å; T46-A126 PolarHBondContact O-N 3.33Å; T46-A126 WeakPolarHBondContact OG1-CB 2.98Å; T46-A126 PolarHBondContact OG1-N 3.11Å; T46-T156 HydrophobicContact CG2-CG2 4.38Å
47	G	98.2	Very high	98.1	Very high	12 Å²	12	23 Å²	23	12%	0.124	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	32.8	-174.5	0	0	0	0	0	113.1	G49 W70 D71 N125	G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 3.35Å; G47-W70 PolarHBondContact N-O 2.98Å; G47-D71 VanDerWaalsContact CA-OD2 3.23Å; G47-D71 WeakPolarHBondContact CA-OD2 3.49Å; G47-N125 PolarHBondContact O-ND2 2.8Å
48	A	98.4	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.3	-173.3	0	0	0	0	0	114.2	I45 T46 S50 R54 L69 W70 D71 T80	I45-A48 HydrophobicContact CB-CB 4.16Å; I45-A48 HydrophobicContact CG2-CB 4.05Å; I45-A48 WeakPolarHBondContact O-CB 3.41Å; T46-A48 VanDerWaalsContact C-N 3.29Å; T46-A48 PolarHBondContact O-N 2.94Å; A48-S50 PolarHBondContact O-N 3.3Å; A48-R54 WeakPolarHBondContact O-CA 3.39Å; A48-R54 PolarHBondContact O-N 2.77Å; A48-L69 HydrophobicContact CB-CB 3.93Å; A48-L69 HydrophobicContact CB-CD2 3.93Å; A48-L69 HydrophobicContact CB-CG 4.44Å; A48-W70 PolarHBondContact N-O 3.23Å; A48-D71 PolarHBondContact N-OD2 3.31Å; A48-T80 WeakPolarHBondContact O-CB 3.19Å; A48-T80 WeakPolarHBondContact O-CG2 3.14Å; A48-T80 PolarHBondContact O-OG1 3.02Å
49	G	97.4	Very high	98.2	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.4	-175.3	0	0	0	0	0	114	G47 R54 D71 G76	G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 3.35Å; G49-R54 PolarHBondContact O-NH2 2.91Å; G49-D71 WeakPolarHBondContact CA-OD2 3.35Å; G49-D71 PolarHBondContact N-OD2 3.41Å; G49-G76 CarbonylContact O-C 3.55Å; G49-G76 WeakPolarHBondContact O-CA 3.49Å
50	S	95.9	Very high	98.2	Very high	35 Å²	35	18.9 Å²	18.9	25%	0.245	12%	0.115	C	C	.	.	S	Bend	trans	-158.2	174.7	-176	62.7	0	0	0	0	113.4	A48 I52 G53 R54 R305	A48-S50 PolarHBondContact O-N 3.3Å; S50-I52 PolarHBondContact O-N 2.73Å; S50-G53 PolarHBondContact O-N 3.27Å; S50-R54 PolarHBondContact O-N 2.97Å; S50-R54 VanDerWaalsContact O-N 3.11Å; S50-R305 PolarHBondContact OG-NH1 2.88Å; S50-R305 PolarHBondContact OG-NH2 3.39Å
51	G	95.5	Very high	98.2	Very high	21 Å²	21	16.7 Å²	16.7	22%	0.216	9%	0.092	C	C	.	.	H	α-helix	trans	53.5	-136.2	168.5	0	0	0	0	0	113.9	R54 L55	G51-R54 PolarHBondContact O-N 3.27Å; G51-L55 WeakPolarHBondContact O-CG 3.01Å; G51-L55 PolarHBondContact O-N 2.97Å
52	I	96.8	Very high	98.2	Very high	13 Å²	13	18 Å²	18	7%	0.067	11%	0.11	C	C	.	.	H	α-helix	trans	-69.1	-30.6	179.3	-92.5	170	0	0	0	113.3	S50 R54 L55 M56 I226 T228 A247 V250 I254	S50-I52 PolarHBondContact O-N 2.73Å; I52-R54 VanDerWaalsContact C-N 3.31Å; I52-R54 PolarHBondContact O-N 3.31Å; I52-L55 PolarHBondContact O-N 2.83Å; I52-M56 HydrophobicContact CG2-CE 3.74Å; I52-M56 HydrophobicContact CG2-CG 3.99Å; I52-M56 HydrophobicContact CG2-SD 3.87Å; I52-M56 WeakPolarHBondContact O-CB 3.5Å; I52-M56 VanDerWaalsContact O-CG 3.29Å; I52-M56 WeakPolarHBondContact O-CG 3.32Å; I52-M56 PolarHBondContact O-N 3.2Å; I52-I226 HydrophobicContact CD1-CB 4.28Å; I52-I226 HydrophobicContact CD1-CD1 3.21Å; I52-I226 HydrophobicContact CD1-CG1 4.24Å; I52-I226 HydrophobicContact CD1-CG2 3.57Å; I52-I226 HydrophobicContact CG1-CG2 4.44Å; I52-T228 HydrophobicContact CD1-CG2 4.36Å; I52-T228 HydrophobicContact CG1-CG2 4.05Å; I52-A247 HydrophobicContact CG1-CB 4.24Å; I52-V250 HydrophobicContact CD1-CB 3.9Å; I52-V250 HydrophobicContact CD1-CG1 3.52Å; I52-I254 HydrophobicContact CG2-CD1 4.21Å
53	G	98.1	Very high	98.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-45.4	175.5	0	0	0	0	0	111.8	S50 A57 N125	S50-G53 PolarHBondContact O-N 3.27Å; G53-A57 PolarHBondContact O-N 2.99Å; G53-N125 WeakPolarHBondContact CA-ND2 3.41Å
54	R	98.4	Very high	98.1	Very high	62 Å²	62	21.6 Å²	21.6	23%	0.234	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-48.6	173.3	174.6	177.8	-64	-175.7	2.2	112.1	A48 G49 S50 G51 I52 M56 A57 Q58 G76 T80 L83	A48-R54 WeakPolarHBondContact O-CA 3.39Å; A48-R54 PolarHBondContact O-N 2.77Å; G49-R54 PolarHBondContact O-NH2 2.91Å; S50-R54 PolarHBondContact O-N 2.97Å; S50-R54 VanDerWaalsContact O-N 3.11Å; G51-R54 PolarHBondContact O-N 3.27Å; I52-R54 VanDerWaalsContact C-N 3.31Å; I52-R54 PolarHBondContact O-N 3.31Å; R54-M56 VanDerWaalsContact C-N 3.35Å; R54-M56 PolarHBondContact O-N 3.46Å; R54-A57 WeakPolarHBondContact O-CB 3.33Å; R54-A57 PolarHBondContact O-N 3.05Å; R54-A57 VanDerWaalsContact O-N 3.16Å; R54-Q58 PolarHBondContact O-N 3.16Å; R54-G76 PolarHBondContact NH2-O 3.33Å; R54-T80 HydrophobicContact CB-CG2 4.19Å; R54-T80 WeakPolarHBondContact CB-OG1 3.27Å; R54-T80 HydrophobicContact CG-CG2 3.98Å; R54-T80 WeakPolarHBondContact CG-OG1 3.37Å; R54-T80 PolarHBondContact NE-OG1 3.02Å; R54-L83 HydrophobicContact CG-CD1 4.43Å
55	L	98.6	Very high	98.1	Very high	33 Å²	33	21.6 Å²	21.6	17%	0.173	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-39.6	-178	-66.4	170.7	0	0	0	111.7	G51 I52 A57 Q58 E59 A247 E248 A251	G51-L55 WeakPolarHBondContact O-CG 3.01Å; G51-L55 PolarHBondContact O-N 2.97Å; I52-L55 PolarHBondContact O-N 2.83Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.4Å; L55-Q58 PolarHBondContact O-N 3.04Å; L55-E59 WeakPolarHBondContact O-CG 3.46Å; L55-E59 PolarHBondContact O-N 2.77Å; L55-A247 HydrophobicContact CD1-CB 3.42Å; L55-A247 VanDerWaalsContact CD1-CB 3.42Å; L55-E248 HydrophobicContact CD1-CG 4.33Å; L55-E248 HydrophobicContact CD2-CG 4.12Å; L55-A251 HydrophobicContact CB-CB 3.64Å
56	M	98.8	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-41.2	172.9	-71.7	-174	-53.8	0	0	111.4	I45 I52 R54 Q58 E59 F60 V123 N125 I175 A251 I254 I255	I45-M56 HydrophobicContact CD1-CB 4.38Å; I45-M56 HydrophobicContact CG2-CE 4.12Å; I52-M56 HydrophobicContact CG2-CE 3.74Å; I52-M56 HydrophobicContact CG2-CG 3.99Å; I52-M56 HydrophobicContact CG2-SD 3.87Å; I52-M56 WeakPolarHBondContact O-CB 3.5Å; I52-M56 VanDerWaalsContact O-CG 3.29Å; I52-M56 WeakPolarHBondContact O-CG 3.32Å; I52-M56 PolarHBondContact O-N 3.2Å; R54-M56 VanDerWaalsContact C-N 3.35Å; R54-M56 PolarHBondContact O-N 3.46Å; M56-Q58 VanDerWaalsContact C-N 3.3Å; M56-Q58 PolarHBondContact O-N 3.08Å; M56-E59 PolarHBondContact O-N 3.3Å; M56-F60 HydrophobicContact CB-CD2 4.42Å; M56-F60 WeakPolarHBondContact O-CB 3.35Å; M56-F60 WeakPolarHBondContact O-CD2 3.37Å; M56-F60 PolarHBondContact O-N 3.46Å; M56-V123 HydrophobicContact CE-CG1 3.69Å; M56-V123 HydrophobicContact SD-CG1 4.13Å; M56-N125 HydrophobicContact CE-CB 3.69Å; M56-N125 WeakPolarHBondContact CE-OD1 3.46Å; M56-I175 HydrophobicContact CE-CG1 4.23Å; M56-I175 HydrophobicContact SD-CD1 4.16Å; M56-I175 HydrophobicContact SD-CG1 4.45Å; M56-A251 HydrophobicContact CG-CB 4.18Å; M56-I254 HydrophobicContact CG-CD1 4.48Å; M56-I254 HydrophobicContact SD-CB 4.32Å; M56-I254 HydrophobicContact SD-CD1 3.8Å; M56-I254 HydrophobicContact SD-CG2 3.75Å; M56-I255 HydrophobicContact CB-CD1 4.39Å; M56-I255 HydrophobicContact CG-CD1 4.44Å
57	A	98.8	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-41.4	175.2	0	0	0	0	0	111.9	I45 G53 R54 L55 A61 L67 L69 T80	I45-A57 HydrophobicContact CD1-CB 3.84Å; G53-A57 PolarHBondContact O-N 2.99Å; R54-A57 WeakPolarHBondContact O-CB 3.33Å; R54-A57 PolarHBondContact O-N 3.05Å; R54-A57 VanDerWaalsContact O-N 3.16Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.4Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 2.92Å; A57-L67 HydrophobicContact CB-CD1 4.45Å; A57-L67 WeakPolarHBondContact O-CD1 3.49Å; A57-L69 HydrophobicContact CB-CD2 3.73Å; A57-T80 HydrophobicContact CB-CG2 3.62Å
58	Q	98.6	Very high	98.1	Very high	58 Å²	58	20.9 Å²	20.9	27%	0.271	13%	0.125	S	C	.	.	H	α-helix	trans	-66.5	-40.5	175.3	-66.5	176.6	-99.1	0	0	112.6	R54 L55 M56 A61 A62 L83	R54-Q58 PolarHBondContact O-N 3.16Å; L55-Q58 PolarHBondContact O-N 3.04Å; M56-Q58 VanDerWaalsContact C-N 3.3Å; M56-Q58 PolarHBondContact O-N 3.08Å; Q58-A61 WeakPolarHBondContact O-CB 3.48Å; Q58-A61 PolarHBondContact O-N 2.98Å; Q58-A62 PolarHBondContact O-N 2.88Å; Q58-L83 HydrophobicContact CG-CB 4.06Å
59	E	98.6	Very high	98.2	Very high	47 Å²	47	20.9 Å²	20.9	22%	0.22	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-40	177.9	-66.8	-67	154.5	0	0	111.7	L55 M56 A61 A62 H63 A251 K252 I255	L55-E59 WeakPolarHBondContact O-CG 3.46Å; L55-E59 PolarHBondContact O-N 2.77Å; M56-E59 PolarHBondContact O-N 3.3Å; E59-A61 VanDerWaalsContact C-N 3.34Å; E59-A62 PolarHBondContact O-N 2.51Å; E59-H63 PolarHBondContact O-CD2 3.15Å; E59-H63 VanDerWaalsContact O-CD2 3.27Å; E59-A251 HydrophobicContact CG-CB 4.07Å; E59-K252 HydrophobicContact CG-CG 4.22Å; E59-K252 WeakPolarHBondContact OE1-CE 3.38Å; E59-K252 VanDerWaalsContact OE1-CG 3.3Å; E59-K252 WeakPolarHBondContact OE1-CG 3.42Å; E59-K252 WeakPolarHBondContact OE2-CG 3.33Å; E59-I255 HydrophobicContact CB-CB 4.4Å; E59-I255 HydrophobicContact CB-CD1 4.43Å; E59-I255 HydrophobicContact CB-CG1 3.43Å; E59-I255 VanDerWaalsContact CB-CG1 3.43Å; E59-I255 HydrophobicContact CG-CG1 4.37Å
60	F	98.8	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-39.1	171.5	-83.4	-64.9	0	0	0	111.9	I38 V43 I45 M56 A62 H63 T65 L67 I121 V123 I255 V258	I38-F60 HydrophobicContact CD1-CD1 3.59Å; I38-F60 HydrophobicContact CD1-CE1 3.79Å; V43-F60 HydrophobicContact CG1-CD1 4.11Å; V43-F60 HydrophobicContact CG1-CD2 3.84Å; V43-F60 HydrophobicContact CG1-CE1 4.07Å; V43-F60 HydrophobicContact CG1-CE2 3.8Å; V43-F60 HydrophobicContact CG1-CG 4Å; V43-F60 HydrophobicContact CG1-CZ 3.91Å; V43-F60 HydrophobicContact CG2-CD1 4.12Å; V43-F60 HydrophobicContact CG2-CE1 4.34Å; I45-F60 HydrophobicContact CD1-CD2 3.81Å; I45-F60 HydrophobicContact CD1-CE2 4.31Å; M56-F60 HydrophobicContact CB-CD2 4.42Å; M56-F60 WeakPolarHBondContact O-CB 3.35Å; M56-F60 WeakPolarHBondContact O-CD2 3.37Å; M56-F60 PolarHBondContact O-N 3.46Å; F60-A62 PolarHBondContact O-N 2.98Å; F60-H63 WeakPolarHBondContact O-CB 3.4Å; F60-H63 PolarHBondContact O-N 2.89Å; F60-T65 HydrophobicContact CB-CG2 4.46Å; F60-T65 HydrophobicContact CD1-CG2 4.32Å; F60-T65 WeakPolarHBondContact O-CG2 3.22Å; F60-T65 PolarHBondContact O-OG1 2.94Å; F60-L67 HydrophobicContact CB-CD2 3.86Å; F60-I121 HydrophobicContact CE1-CD1 4.29Å; F60-I121 HydrophobicContact CZ-CG2 4.2Å; F60-V123 HydrophobicContact CE2-CG2 3.88Å; F60-V123 HydrophobicContact CZ-CG2 4.15Å; F60-I255 HydrophobicContact CD1-CD1 4.11Å; F60-I255 HydrophobicContact CD2-CD1 3.43Å; F60-I255 VanDerWaalsContact CD2-CD1 3.43Å; F60-I255 HydrophobicContact CE1-CD1 3.9Å; F60-I255 HydrophobicContact CE2-CD1 3.17Å; F60-I255 HydrophobicContact CG-CD1 3.9Å; F60-I255 HydrophobicContact CZ-CD1 3.44Å; F60-I255 VanDerWaalsContact CZ-CD1 3.44Å; F60-V258 HydrophobicContact CE1-CG1 4.11Å; F60-V258 HydrophobicContact CZ-CG1 4.18Å; F60-V258 HydrophobicContact CZ-CG2 4.46Å
61	A	98.6	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.3	-40.4	177.2	0	0	0	0	0	112.4	A57 Q58 E59 H63 G64 L67 A84 G87 G88 A89	A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.43Å; A57-A61 PolarHBondContact O-N 2.92Å; Q58-A61 WeakPolarHBondContact O-CB 3.48Å; Q58-A61 PolarHBondContact O-N 2.98Å; E59-A61 VanDerWaalsContact C-N 3.34Å; A61-H63 PolarHBondContact O-N 3.46Å; A61-G64 PolarHBondContact O-N 2.93Å; A61-L67 HydrophobicContact CB-CD1 4.03Å; A61-A84 HydrophobicContact CB-CB 4.06Å; A61-A84 VanDerWaalsContact CB-O 3.23Å; A61-A84 WeakPolarHBondContact CB-O 3.34Å; A61-G87 CarbonylContact C-O 3.58Å; A61-G88 CarbonylContact O-C 3.16Å; A61-G88 VanDerWaalsContact O-O 3.06Å; A61-A89 HydrophobicContact CB-CB 3.72Å; A61-A89 PolarHBondContact O-N 3.48Å
62	A	97.9	Very high	98.5	Very high	69 Å²	69	24 Å²	24	57%	0.57	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.8	178.1	0	0	0	0	0	114.1	Q58 E59 F60 G87	Q58-A62 PolarHBondContact O-N 2.88Å; E59-A62 PolarHBondContact O-N 2.51Å; F60-A62 PolarHBondContact O-N 2.98Å; A62-G87 VanDerWaalsContact CA-O 3.28Å; A62-G87 WeakPolarHBondContact CA-O 3.33Å; A62-G87 PolarHBondContact N-O 2.98Å
63	H	98.3	Very high	98.5	Very high	73 Å²	73	27.6 Å²	27.6	34%	0.338	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	7.6	175	-67.9	-77.7	0	0	0	113.9	I38 A39 E59 F60 A61 T65	I38-H63 HydrophobicContact CD1-CB 3.89Å; I38-H63 HydrophobicContact CG1-CB 3.67Å; A39-H63 VanDerWaalsContact CA-O 3.26Å; A39-H63 WeakPolarHBondContact CA-O 3.34Å; A39-H63 WeakPolarHBondContact CB-O 3.49Å; E59-H63 PolarHBondContact O-CD2 3.15Å; E59-H63 VanDerWaalsContact O-CD2 3.27Å; F60-H63 WeakPolarHBondContact O-CB 3.4Å; F60-H63 PolarHBondContact O-N 2.89Å; A61-H63 PolarHBondContact O-N 3.46Å; H63-T65 HydrophobicContact CB-CG2 4.3Å
64	G	98.3	Very high	98.4	Very high	23 Å²	23	32.8 Å²	32.8	24%	0.237	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	29.9	177.1	0	0	0	0	0	114	G40 A61 G88 S90	G40-G64 PolarHBondContact N-O 2.83Å; A61-G64 PolarHBondContact O-N 2.93Å; G64-G88 WeakPolarHBondContact CA-O 3.3Å; G64-S90 WeakPolarHBondContact O-CB 3.34Å
65	T	98.7	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.			trans	-77.6	161.9	-180	64	0	0	0	0	112.7	I38 V43 F60 H63 S90	I38-T65 HydrophobicContact CB-CG2 4.43Å; I38-T65 HydrophobicContact CD1-CG2 3.86Å; I38-T65 HydrophobicContact CG1-CG2 3.92Å; I38-T65 WeakPolarHBondContact O-CG2 3.45Å; V43-T65 HydrophobicContact CG2-CG2 3.86Å; F60-T65 HydrophobicContact CB-CG2 4.46Å; F60-T65 HydrophobicContact CD1-CG2 4.32Å; F60-T65 WeakPolarHBondContact O-CG2 3.22Å; F60-T65 PolarHBondContact O-OG1 2.94Å; H63-T65 HydrophobicContact CB-CG2 4.3Å; T65-S90 PolarHBondContact O-N 3.06Å
66	V	98.9	Very high	98.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116	163.9	174.9	0	0	0	0	107.6	E41 V42 V43 R91 V116	E41-V66 PolarHBondContact O-N 2.91Å; V42-V66 CarbonylContact C-O 3.38Å; V42-V66 WeakPolarHBondContact CA-O 3.22Å; V42-V66 HydrophobicContact CG2-CB 4.26Å; V42-V66 HydrophobicContact CG2-CG1 4.33Å; V43-V66 PolarHBondContact N-O 2.77Å; V66-R91 HydrophobicContact CG1-CB 4.04Å; V66-R91 HydrophobicContact CG2-CB 4.26Å; V66-V116 HydrophobicContact CG1-CG1 3.93Å
67	L	98.9	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.3	-175.7	-71.8	167.9	0	0	0	112	V43 I45 A57 F60 A61 L69 A84 A89 R91 V92 H93	V43-L67 HydrophobicContact CB-CD2 4.12Å; V43-L67 HydrophobicContact CG1-CD2 4.41Å; I45-L67 HydrophobicContact CD1-CD2 4.09Å; A57-L67 HydrophobicContact CB-CD1 4.45Å; A57-L67 WeakPolarHBondContact O-CD1 3.49Å; F60-L67 HydrophobicContact CB-CD2 3.86Å; A61-L67 HydrophobicContact CB-CD1 4.03Å; L67-L69 HydrophobicContact CB-CD2 4.09Å; L67-L69 HydrophobicContact CB-CG 4.45Å; L67-L69 HydrophobicContact CD2-CD2 4.49Å; L67-A84 HydrophobicContact CD1-CB 3.61Å; L67-A89 HydrophobicContact CD1-CB 3.82Å; L67-A89 HydrophobicContact CG-CB 4.47Å; L67-R91 PolarHBondContact N-O 2.85Å; L67-V92 HydrophobicContact CB-CG1 4.16Å; L67-V92 HydrophobicContact CB-CG2 4.28Å; L67-V92 HydrophobicContact CD1-CG2 4.31Å; L67-V92 CarbonylContact O-C 3.57Å; L67-V92 WeakPolarHBondContact O-CA 3.29Å; L67-H93 PolarHBondContact O-N 3.23Å
68	V	98.9	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	109.1	168.9	179.1	0	0	0	0	107.9	V42 V43 L44 I45 H93 F95 V112 V116	V42-V68 HydrophobicContact CG1-CG2 3.92Å; V43-V68 PolarHBondContact O-N 2.83Å; L44-V68 CarbonylContact C-O 3.58Å; L44-V68 VanDerWaalsContact CA-O 3.3Å; L44-V68 WeakPolarHBondContact CA-O 3.32Å; L44-V68 HydrophobicContact CB-CB 4.12Å; L44-V68 HydrophobicContact CB-CG1 4.41Å; L44-V68 HydrophobicContact CD1-CB 4.38Å; L44-V68 HydrophobicContact CD1-CG1 3.79Å; L44-V68 HydrophobicContact CG-CB 4.11Å; L44-V68 HydrophobicContact CG-CG1 3.88Å; I45-V68 PolarHBondContact N-O 3.05Å; V68-H93 HydrophobicContact CG2-CB 4.5Å; V68-F95 HydrophobicContact CG1-CD2 3.75Å; V68-F95 HydrophobicContact CG1-CE2 3.78Å; V68-V112 HydrophobicContact CG1-CG1 4.08Å; V68-V112 HydrophobicContact CG1-CG2 3.72Å; V68-V112 HydrophobicContact CG2-CG1 4.25Å; V68-V116 HydrophobicContact CG2-CB 4.37Å; V68-V116 HydrophobicContact CG2-CG1 3.89Å; V68-V116 HydrophobicContact CG2-CG2 4.17Å
69	L	98.9	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.5	-172.8	-53.8	-177.7	0	0	0	110.2	I45 A48 A57 L67 I77 T80 A81 V92 H93 F95	I45-L69 HydrophobicContact CD1-CD2 4.48Å; A48-L69 HydrophobicContact CB-CB 3.93Å; A48-L69 HydrophobicContact CB-CD2 3.93Å; A48-L69 HydrophobicContact CB-CG 4.44Å; A57-L69 HydrophobicContact CB-CD2 3.73Å; L67-L69 HydrophobicContact CB-CD2 4.09Å; L67-L69 HydrophobicContact CB-CG 4.45Å; L67-L69 HydrophobicContact CD2-CD2 4.49Å; L69-I77 HydrophobicContact CB-CG2 3.76Å; L69-I77 HydrophobicContact CD1-CG2 4.3Å; L69-T80 HydrophobicContact CD1-CG2 3.69Å; L69-A81 HydrophobicContact CD1-CB 4.07Å; L69-V92 HydrophobicContact CD1-CG1 3.6Å; L69-V92 HydrophobicContact CG-CG1 4Å; L69-H93 PolarHBondContact N-O 2.89Å; L69-F95 PolarHBondContact O-N 2.77Å
70	W	98.8	Very high	98.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.4	175.4	-74.4	19.8	0	0	0	110.6	L44 I45 T46 G47 A48 F95 C97 V105 V108 A109 V112 T156 F160	L44-W70 HydrophobicContact CD1-CD2 4.35Å; L44-W70 HydrophobicContact CD1-CZ2 3.93Å; L44-W70 HydrophobicContact CD2-CD2 4.21Å; L44-W70 HydrophobicContact CD2-CG 4.35Å; I45-W70 PolarHBondContact O-N 3.33Å; T46-W70 CarbonylContact C-O 2.98Å; T46-W70 HydrophobicContact CG2-CB 4.42Å; T46-W70 HydrophobicContact CG2-CE3 4.09Å; G47-W70 PolarHBondContact N-O 2.98Å; A48-W70 PolarHBondContact N-O 3.23Å; W70-F95 WeakPolarHBondContact CA-O 3.42Å; W70-F95 AromaticContact CD1-CD2 3.99Å; W70-F95 AromaticContact NE1-CD2 3.75Å; W70-F95 AromaticContact NE1-CG 3.97Å; W70-C97 HydrophobicContact CB-CB 4.46Å; W70-C97 HydrophobicContact CD2-CB 4.1Å; W70-C97 HydrophobicContact CE3-CB 3.94Å; W70-C97 HydrophobicContact CG-CB 4.35Å; W70-V105 HydrophobicContact CH2-CG1 4.42Å; W70-V105 WeakPolarHBondContact CH2-O 3.23Å; W70-V105 HydrophobicContact CZ3-CB 4.49Å; W70-V105 HydrophobicContact CZ3-CG1 4.09Å; W70-V105 HydrophobicContact CZ3-CG2 4.41Å; W70-V108 HydrophobicContact CD2-CG1 4.28Å; W70-V108 HydrophobicContact CH2-CB 4.12Å; W70-V108 HydrophobicContact CH2-CG1 4.13Å; W70-V108 HydrophobicContact CZ2-CB 3.91Å; W70-V108 HydrophobicContact CZ2-CG1 3.45Å; W70-V108 VanDerWaalsContact CZ2-CG1 3.45Å; W70-A109 HydrophobicContact CH2-CB 4.04Å; W70-A109 HydrophobicContact CZ2-CB 4.38Å; W70-V112 HydrophobicContact CZ2-CG2 3.92Å; W70-T156 HydrophobicContact CZ3-CG2 4.25Å; W70-F160 HydrophobicContact CH2-CE2 4.07Å; W70-F160 AromaticContact CH2-CZ 4Å; W70-F160 HydrophobicContact CH2-CZ 4Å; W70-F160 HydrophobicContact CZ2-CE2 4.31Å; W70-F160 AromaticContact CZ2-CZ 3.87Å; W70-F160 HydrophobicContact CZ2-CZ 3.87Å
71	D	98.6	Very high	98.3	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.3	169.6	-153.9	-78.8	0	0	0	109.2	G47 A48 G49 N73 I77 F95 V96 C97	G47-D71 VanDerWaalsContact CA-OD2 3.23Å; G47-D71 WeakPolarHBondContact CA-OD2 3.49Å; A48-D71 PolarHBondContact N-OD2 3.31Å; G49-D71 WeakPolarHBondContact CA-OD2 3.35Å; G49-D71 PolarHBondContact N-OD2 3.41Å; D71-N73 WeakPolarHBondContact OD1-CB 3.03Å; D71-N73 PolarHBondContact OD1-N 3.06Å; D71-I77 HydrophobicContact CB-CD1 3.51Å; D71-I77 HydrophobicContact CB-CG1 3.32Å; D71-I77 VanDerWaalsContact N-CD1 3.28Å; D71-I77 WeakPolarHBondContact O-CD1 3.35Å; D71-F95 PolarHBondContact N-O 2.75Å; D71-V96 VanDerWaalsContact O-CA 3.31Å; D71-V96 WeakPolarHBondContact O-CA 3.44Å; D71-C97 CarbonylContact C-O 3.57Å; D71-C97 PolarHBondContact O-N 3.16Å
72	I	97.5	Very high	98.3	Very high	107 Å²	107	43.2 Å²	43.2	55%	0.549	22%	0.222	S	C	.	.	S	Bend	trans	-80.2	-26.6	170.2	-168.1	166.2	0	0	0	111.3	Q74 D98	I72-Q74 PolarHBondContact O-N 2.97Å; I72-D98 HydrophobicContact CD1-CB 4.07Å
73	N	97.4	Very high	98.3	Very high	89 Å²	89	41.9 Å²	41.9	48%	0.476	21%	0.205	S	C	.	.			trans	-89.5	101.6	-178.4	-173.5	-31.7	0	0	0	111.6	D71 E75 G76 I77	D71-N73 WeakPolarHBondContact OD1-CB 3.03Å; D71-N73 PolarHBondContact OD1-N 3.06Å; N73-E75 PolarHBondContact O-N 3.21Å; N73-E75 PolarHBondContact OD1-N 2.95Å; N73-E75 VanDerWaalsContact OD1-N 3.15Å; N73-G76 PolarHBondContact O-N 3.25Å; N73-G76 PolarHBondContact OD1-N 3.14Å; N73-I77 WeakPolarHBondContact O-CG1 3.48Å; N73-I77 PolarHBondContact O-N 3.13Å
74	Q	97	Very high	98.3	Very high	109 Å²	109	38.4 Å²	38.4	51%	0.509	19%	0.189	S	C	.	.	H	α-helix	trans	-57.1	-45.8	-179.1	-171.3	177.8	13.8	0	0	113.5	I72 G76 I77 K78 V96	I72-Q74 PolarHBondContact O-N 2.97Å; Q74-G76 VanDerWaalsContact C-N 3.35Å; Q74-I77 PolarHBondContact O-N 3.49Å; Q74-K78 WeakPolarHBondContact O-CG 3.46Å; Q74-K78 PolarHBondContact O-N 3.29Å; Q74-V96 HydrophobicContact CB-CG2 3.83Å; Q74-V96 HydrophobicContact CG-CG2 3.9Å
75	E	97.8	Very high	98.3	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.533	20%	0.204	S	C	.	.	H	α-helix	trans	-68	-37.4	179.9	-64.9	-51.4	122.8	0	0	111.7	N73 I77 K78 E79	N73-E75 PolarHBondContact O-N 3.21Å; N73-E75 PolarHBondContact OD1-N 2.95Å; N73-E75 VanDerWaalsContact OD1-N 3.15Å; E75-I77 VanDerWaalsContact C-N 3.33Å; E75-I77 PolarHBondContact O-N 3.4Å; E75-K78 PolarHBondContact O-N 3.17Å; E75-K78 IonicContact OE1-NZ 3.97Å; E75-K78 PolarHBondContact OE1-NZ 3.24Å; E75-K78 IonicContact OE2-NZ 2.89Å; E75-E79 PolarHBondContact O-N 3.18Å
76	G	97.9	Very high	98.2	Very high	8 Å²	8	49.2 Å²	49.2	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-45.3	172.6	0	0	0	0	0	112.2	G49 R54 N73 Q74 T80	G49-G76 CarbonylContact O-C 3.55Å; G49-G76 WeakPolarHBondContact O-CA 3.49Å; R54-G76 PolarHBondContact NH2-O 3.33Å; N73-G76 PolarHBondContact O-N 3.25Å; N73-G76 PolarHBondContact OD1-N 3.14Å; Q74-G76 VanDerWaalsContact C-N 3.35Å; G76-T80 PolarHBondContact O-N 3.24Å; G76-T80 PolarHBondContact O-OG1 2.98Å; G76-T80 VanDerWaalsContact O-OG1 3.11Å
77	I	97.3	Very high	98.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-44.4	176.8	-59.7	171	0	0	0	111.2	L69 D71 N73 Q74 E75 E79 T80 A81 C94 F95	L69-I77 HydrophobicContact CB-CG2 3.76Å; L69-I77 HydrophobicContact CD1-CG2 4.3Å; D71-I77 HydrophobicContact CB-CD1 3.51Å; D71-I77 HydrophobicContact CB-CG1 3.32Å; D71-I77 VanDerWaalsContact N-CD1 3.28Å; D71-I77 WeakPolarHBondContact O-CD1 3.35Å; N73-I77 WeakPolarHBondContact O-CG1 3.48Å; N73-I77 PolarHBondContact O-N 3.13Å; Q74-I77 PolarHBondContact O-N 3.49Å; E75-I77 VanDerWaalsContact C-N 3.33Å; E75-I77 PolarHBondContact O-N 3.4Å; I77-E79 VanDerWaalsContact C-N 3.28Å; I77-E79 PolarHBondContact O-N 3.4Å; I77-T80 PolarHBondContact O-N 3.48Å; I77-A81 WeakPolarHBondContact O-CB 3.3Å; I77-A81 PolarHBondContact O-N 3.36Å; I77-C94 HydrophobicContact CG2-CB 3.48Å; I77-C94 VanDerWaalsContact CG2-CB 3.48Å; I77-C94 VanDerWaalsContact CG2-SG 3.54Å; I77-F95 WeakPolarHBondContact CD1-O 3.2Å
78	K	98.1	Very high	98	Very high	102 Å²	102	53 Å²	53	44%	0.443	28%	0.275	S	S	.	.	H	α-helix	trans	-56.8	-44.2	179.1	-75.1	174.7	-176.3	166	0	111.3	Q74 E75 A81 R82	Q74-K78 WeakPolarHBondContact O-CG 3.46Å; Q74-K78 PolarHBondContact O-N 3.29Å; E75-K78 PolarHBondContact O-N 3.17Å; E75-K78 IonicContact OE1-NZ 3.97Å; E75-K78 PolarHBondContact OE1-NZ 3.24Å; E75-K78 IonicContact OE2-NZ 2.89Å; K78-A81 PolarHBondContact O-N 2.94Å; K78-R82 PolarHBondContact O-N 3.2Å
79	E	98.4	Very high	98	Very high	65 Å²	65	53.7 Å²	53.7	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-45.2	176.8	177	57.1	-172.4	0	0	111.9	E75 I77 A81 R82 L83	E75-E79 PolarHBondContact O-N 3.18Å; I77-E79 VanDerWaalsContact C-N 3.28Å; I77-E79 PolarHBondContact O-N 3.4Å; E79-A81 PolarHBondContact O-N 2.98Å; E79-R82 PolarHBondContact O-N 3.04Å; E79-R82 IonicContact OE1-CZ 3.55Å; E79-R82 IonicContact OE1-NE 3.71Å; E79-R82 IonicContact OE1-NH2 3.39Å; E79-R82 PolarHBondContact OE1-NH2 3.47Å; E79-R82 IonicContact OE2-CZ 2.71Å; E79-R82 IonicContact OE2-NE 2.84Å; E79-R82 PolarHBondContact OE2-NE 3.24Å; E79-R82 IonicContact OE2-NH2 3.65Å; E79-R82 PolarHBondContact OE2-NH2 3.11Å; E79-L83 HydrophobicContact CG-CD1 4.15Å; E79-L83 WeakPolarHBondContact O-CG 3.49Å; E79-L83 PolarHBondContact O-N 3.26Å
80	T	98.7	Very high	97.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-41.1	173.7	-62	0	0	0	0	111.1	A48 R54 A57 L69 G76 I77 L83 A84	A48-T80 WeakPolarHBondContact O-CB 3.19Å; A48-T80 WeakPolarHBondContact O-CG2 3.14Å; A48-T80 PolarHBondContact O-OG1 3.02Å; R54-T80 HydrophobicContact CB-CG2 4.19Å; R54-T80 WeakPolarHBondContact CB-OG1 3.27Å; R54-T80 HydrophobicContact CG-CG2 3.98Å; R54-T80 WeakPolarHBondContact CG-OG1 3.37Å; R54-T80 PolarHBondContact NE-OG1 3.02Å; A57-T80 HydrophobicContact CB-CG2 3.62Å; L69-T80 HydrophobicContact CD1-CG2 3.69Å; G76-T80 PolarHBondContact O-N 3.24Å; G76-T80 PolarHBondContact O-OG1 2.98Å; G76-T80 VanDerWaalsContact O-OG1 3.11Å; I77-T80 PolarHBondContact O-N 3.48Å; T80-L83 PolarHBondContact O-N 2.79Å; T80-A84 VanDerWaalsContact O-CB 3.28Å; T80-A84 WeakPolarHBondContact O-CB 3.23Å; T80-A84 PolarHBondContact O-N 3.42Å
81	A	98.6	Very high	97.9	Very high	7 Å²	7	63.9 Å²	63.9	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-65.9	-41.3	-179.7	0	0	0	0	0	112.4	L69 I77 K78 E79 A84 K85 V92 C94	L69-A81 HydrophobicContact CD1-CB 4.07Å; I77-A81 WeakPolarHBondContact O-CB 3.3Å; I77-A81 PolarHBondContact O-N 3.36Å; K78-A81 PolarHBondContact O-N 2.94Å; E79-A81 PolarHBondContact O-N 2.98Å; A81-A84 PolarHBondContact O-N 3.42Å; A81-K85 WeakPolarHBondContact O-CB 3.18Å; A81-K85 VanDerWaalsContact O-CG 3.28Å; A81-K85 WeakPolarHBondContact O-CG 2.94Å; A81-K85 PolarHBondContact O-N 3.15Å; A81-V92 HydrophobicContact CB-CG1 3.69Å; A81-C94 WeakPolarHBondContact CB-SG 3.42Å
82	R	98.6	Very high	97.9	Very high	122 Å²	122	64 Å²	64	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-47.8	174	-170.8	-170	69.1	81	2.6	111.1	K78 E79 K85 N86	K78-R82 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 3.04Å; E79-R82 IonicContact OE1-CZ 3.55Å; E79-R82 IonicContact OE1-NE 3.71Å; E79-R82 IonicContact OE1-NH2 3.39Å; E79-R82 PolarHBondContact OE1-NH2 3.47Å; E79-R82 IonicContact OE2-CZ 2.71Å; E79-R82 IonicContact OE2-NE 2.84Å; E79-R82 PolarHBondContact OE2-NE 3.24Å; E79-R82 IonicContact OE2-NH2 3.65Å; E79-R82 PolarHBondContact OE2-NH2 3.11Å; R82-K85 PolarHBondContact O-N 3.5Å; R82-N86 PolarHBondContact O-N 3.27Å; R82-N86 VanDerWaalsContact O-N 3.11Å
83	L	98.4	Very high	98	Very high	41 Å²	41	61 Å²	61	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-43	177.9	-67.2	170.3	0	0	0	112	R54 Q58 E79 T80 N86 G87	R54-L83 HydrophobicContact CG-CD1 4.43Å; Q58-L83 HydrophobicContact CG-CB 4.06Å; E79-L83 HydrophobicContact CG-CD1 4.15Å; E79-L83 WeakPolarHBondContact O-CG 3.49Å; E79-L83 PolarHBondContact O-N 3.26Å; T80-L83 PolarHBondContact O-N 2.79Å; L83-N86 PolarHBondContact O-N 2.83Å; L83-G87 PolarHBondContact O-N 3.21Å
84	A	98.4	Very high	98	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-41.2	179.3	0	0	0	0	0	112.6	A61 L67 T80 A81 N86 G87 G88 A89 V92	A61-A84 HydrophobicContact CB-CB 4.06Å; A61-A84 VanDerWaalsContact CB-O 3.23Å; A61-A84 WeakPolarHBondContact CB-O 3.34Å; L67-A84 HydrophobicContact CD1-CB 3.61Å; T80-A84 VanDerWaalsContact O-CB 3.28Å; T80-A84 WeakPolarHBondContact O-CB 3.23Å; T80-A84 PolarHBondContact O-N 3.42Å; A81-A84 PolarHBondContact O-N 3.42Å; A84-N86 VanDerWaalsContact C-N 3.34Å; A84-N86 PolarHBondContact O-N 3.05Å; A84-G87 CarbonylContact O-C 3.32Å; A84-G87 WeakPolarHBondContact O-CA 3.41Å; A84-G87 PolarHBondContact O-N 2.71Å; A84-G87 VanDerWaalsContact O-N 3.07Å; A84-G88 PolarHBondContact O-N 3.21Å; A84-A89 HydrophobicContact CB-CB 4.47Å; A84-A89 WeakPolarHBondContact O-CB 3.49Å; A84-A89 PolarHBondContact O-N 2.81Å; A84-A89 VanDerWaalsContact O-N 3.16Å; A84-V92 HydrophobicContact CB-CG2 4.16Å
85	K	97.9	Very high	98.1	Very high	126 Å²	126	55 Å²	55	55%	0.548	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-46.8	173.2	-74.4	176.7	-175.3	-176.6	0	111.3	A81 R82 G87 G88 V92	A81-K85 WeakPolarHBondContact O-CB 3.18Å; A81-K85 VanDerWaalsContact O-CG 3.28Å; A81-K85 WeakPolarHBondContact O-CG 2.94Å; A81-K85 PolarHBondContact O-N 3.15Å; R82-K85 PolarHBondContact O-N 3.5Å; K85-G87 PolarHBondContact O-N 2.93Å; K85-G88 PolarHBondContact O-N 3.33Å; K85-V92 HydrophobicContact CG-CB 4.16Å; K85-V92 HydrophobicContact CG-CG2 3.64Å
86	N	97.6	Very high	98.1	Very high	124 Å²	124	52.4 Å²	52.4	66%	0.663	28%	0.282	S	S	*	.	H	α-helix	trans	-65.8	-25.5	176.1	-68.4	-5.6	0	0	0	112.8	R82 L83 A84 G88	R82-N86 PolarHBondContact O-N 3.27Å; R82-N86 VanDerWaalsContact O-N 3.11Å; L83-N86 PolarHBondContact O-N 2.83Å; A84-N86 VanDerWaalsContact C-N 3.34Å; A84-N86 PolarHBondContact O-N 3.05Å; N86-G88 VanDerWaalsContact C-N 3.33Å
87	G	96	Very high	98.2	Very high	35 Å²	35	52.1 Å²	52.1	36%	0.361	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	1.7	178.8	0	0	0	0	0	115.2	A61 A62 L83 A84 K85	A61-G87 CarbonylContact C-O 3.58Å; A62-G87 VanDerWaalsContact CA-O 3.28Å; A62-G87 WeakPolarHBondContact CA-O 3.33Å; A62-G87 PolarHBondContact N-O 2.98Å; L83-G87 PolarHBondContact O-N 3.21Å; A84-G87 CarbonylContact O-C 3.32Å; A84-G87 WeakPolarHBondContact O-CA 3.41Å; A84-G87 PolarHBondContact O-N 2.71Å; A84-G87 VanDerWaalsContact O-N 3.07Å; K85-G87 PolarHBondContact O-N 2.93Å
88	G	97.6	Very high	98.2	Very high	45 Å²	45	53.7 Å²	53.7	46%	0.464	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	9.2	174	0	0	0	0	0	115.9	A61 G64 A84 K85 N86 S90	A61-G88 CarbonylContact O-C 3.16Å; A61-G88 VanDerWaalsContact O-O 3.06Å; G64-G88 WeakPolarHBondContact CA-O 3.3Å; A84-G88 PolarHBondContact O-N 3.21Å; K85-G88 PolarHBondContact O-N 3.33Å; N86-G88 VanDerWaalsContact C-N 3.33Å; G88-S90 PolarHBondContact O-N 2.95Å
89	A	97.8	Very high	98.2	Very high	14 Å²	14	49.2 Å²	49.2	12%	0.116	27%	0.268	C	S	.	.			trans	-59.1	135.8	175	0	0	0	0	0	110.8	A61 L67 A84 V92	A61-A89 HydrophobicContact CB-CB 3.72Å; A61-A89 PolarHBondContact O-N 3.48Å; L67-A89 HydrophobicContact CD1-CB 3.82Å; L67-A89 HydrophobicContact CG-CB 4.47Å; A84-A89 HydrophobicContact CB-CB 4.47Å; A84-A89 WeakPolarHBondContact O-CB 3.49Å; A84-A89 PolarHBondContact O-N 2.81Å; A84-A89 VanDerWaalsContact O-N 3.16Å; A89-V92 HydrophobicContact CB-CG2 3.57Å
90	S	97.7	Very high	98.2	Very high	75 Å²	75	46.8 Å²	46.8	52%	0.524	26%	0.258	S	S	.	.	S	Bend	trans	-63.8	-47.6	177.8	175.2	0	0	0	0	110.9	G64 T65 G88	G64-S90 WeakPolarHBondContact O-CB 3.34Å; T65-S90 PolarHBondContact O-N 3.06Å; G88-S90 PolarHBondContact O-N 2.95Å
91	R	98.4	Very high	98.2	Very high	140 Å²	140	49.9 Å²	49.9	53%	0.528	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.1	175.9	-73	177.8	-82.2	169.5	-3.1	108.8	V66 L67	V66-R91 HydrophobicContact CG1-CB 4.04Å; V66-R91 HydrophobicContact CG2-CB 4.26Å; L67-R91 PolarHBondContact N-O 2.85Å
92	V	98.8	Very high	98.2	Very high	18 Å²	18	54.5 Å²	54.5	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.5	175.5	-171.9	0	0	0	0	109.7	L67 L69 A81 A84 K85 A89	L67-V92 HydrophobicContact CB-CG1 4.16Å; L67-V92 HydrophobicContact CB-CG2 4.28Å; L67-V92 HydrophobicContact CD1-CG2 4.31Å; L67-V92 CarbonylContact O-C 3.57Å; L67-V92 WeakPolarHBondContact O-CA 3.29Å; L69-V92 HydrophobicContact CD1-CG1 3.6Å; L69-V92 HydrophobicContact CG-CG1 4Å; A81-V92 HydrophobicContact CB-CG1 3.69Å; A84-V92 HydrophobicContact CB-CG2 4.16Å; K85-V92 HydrophobicContact CG-CB 4.16Å; K85-V92 HydrophobicContact CG-CG2 3.64Å; A89-V92 HydrophobicContact CB-CG2 3.57Å
93	H	98.8	Very high	98.2	Very high	46 Å²	46	54.1 Å²	54.1	21%	0.213	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.1	176.7	-58.8	-96.1	0	0	0	109.5	L67 V68 L69 F95 V116	L67-H93 PolarHBondContact O-N 3.23Å; V68-H93 HydrophobicContact CG2-CB 4.5Å; L69-H93 PolarHBondContact N-O 2.89Å; H93-F95 HydrophobicContact CB-CE2 3.69Å; H93-F95 HydrophobicContact CB-CZ 4.28Å; H93-V116 HydrophobicContact CB-CG2 4.04Å
94	C	98.8	Very high	98.2	Very high	59 Å²	59	54.3 Å²	54.3	40%	0.399	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.3	-171.5	-59.7	0	0	0	0	109.3	I77 A81	I77-C94 HydrophobicContact CG2-CB 3.48Å; I77-C94 VanDerWaalsContact CG2-CB 3.48Å; I77-C94 VanDerWaalsContact CG2-SG 3.54Å; A81-C94 WeakPolarHBondContact CB-SG 3.42Å
95	F	98.7	Very high	98.2	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.9	178	-58.6	-88.3	0	0	0	109.6	V68 L69 W70 D71 I77 H93 C97 V108 Q111 V112 E115 V116	V68-F95 HydrophobicContact CG1-CD2 3.75Å; V68-F95 HydrophobicContact CG1-CE2 3.78Å; L69-F95 PolarHBondContact O-N 2.77Å; W70-F95 WeakPolarHBondContact CA-O 3.42Å; W70-F95 AromaticContact CD1-CD2 3.99Å; W70-F95 AromaticContact NE1-CD2 3.75Å; W70-F95 AromaticContact NE1-CG 3.97Å; D71-F95 PolarHBondContact N-O 2.75Å; I77-F95 WeakPolarHBondContact CD1-O 3.2Å; H93-F95 HydrophobicContact CB-CE2 3.69Å; H93-F95 HydrophobicContact CB-CZ 4.28Å; F95-C97 PolarHBondContact O-N 2.85Å; F95-V108 HydrophobicContact CB-CG1 3.5Å; F95-V108 VanDerWaalsContact CB-CG1 3.5Å; F95-V108 HydrophobicContact CD1-CG1 4.05Å; F95-V108 HydrophobicContact CG-CG1 3.89Å; F95-Q111 HydrophobicContact CD1-CG 4.31Å; F95-Q111 HydrophobicContact CE1-CB 4.37Å; F95-Q111 HydrophobicContact CE1-CG 3.75Å; F95-V112 HydrophobicContact CD2-CG2 3.81Å; F95-V112 HydrophobicContact CE1-CG2 4.43Å; F95-V112 HydrophobicContact CE2-CG2 3.63Å; F95-V112 HydrophobicContact CG-CG2 4.29Å; F95-V112 HydrophobicContact CZ-CG2 3.96Å; F95-E115 WeakPolarHBondContact CE1-OE2 3.21Å; F95-V116 HydrophobicContact CE2-CG2 4.32Å; F95-V116 HydrophobicContact CZ-CG2 4.25Å
96	V	98.6	Very high	98.2	Very high	61 Å²	61	51.6 Å²	51.6	37%	0.37	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.6	168.7	-179.1	0	0	0	0	107.6	D71 Q74	D71-V96 VanDerWaalsContact O-CA 3.31Å; D71-V96 WeakPolarHBondContact O-CA 3.44Å; Q74-V96 HydrophobicContact CB-CG2 3.83Å; Q74-V96 HydrophobicContact CG-CG2 3.9Å
97	C	98.5	Very high	98.3	Very high	1 Å²	1	52 Å²	52	1%	0.007	28%	0.279	C	S	.	.			trans	-149.7	119.7	-178.8	-173.2	0	0	0	0	110.4	W70 D71 F95 C99 E104 V108	W70-C97 HydrophobicContact CB-CB 4.46Å; W70-C97 HydrophobicContact CD2-CB 4.1Å; W70-C97 HydrophobicContact CE3-CB 3.94Å; W70-C97 HydrophobicContact CG-CB 4.35Å; D71-C97 CarbonylContact C-O 3.57Å; D71-C97 PolarHBondContact O-N 3.16Å; F95-C97 PolarHBondContact O-N 2.85Å; C97-C99 PolarHBondContact O-N 3.13Å; C97-E104 WeakPolarHBondContact CA-OE1 3.48Å; C97-V108 HydrophobicContact CB-CB 4.49Å; C97-V108 HydrophobicContact CB-CG1 4.36Å; C97-V108 HydrophobicContact CB-CG2 4.19Å
98	D	98.3	Very high	98.4	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.193	26%	0.262	C	S	.	.			trans	-75.9	107.3	162.2	-171.8	-10.5	0	0	0	109.6	I72 S100 N101 E104 K144	I72-D98 HydrophobicContact CD1-CB 4.07Å; D98-S100 PolarHBondContact O-N 2.88Å; D98-S100 VanDerWaalsContact O-N 3.16Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 2.7Å; D98-N101 HydrophobicContact CB-CB 4.45Å; D98-N101 PolarHBondContact O-N 3.49Å; D98-E104 PolarHBondContact N-OE1 2.99Å; D98-K144 IonicContact OD1-NZ 2.98Å; D98-K144 PolarHBondContact OD1-NZ 2.87Å; D98-K144 IonicContact OD2-NZ 3.82Å; D98-K144 PolarHBondContact OD2-NZ 3.48Å
99	C	98.1	Very high	98.5	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.054	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.1	179.1	-70.7	0	0	0	0	114.3	C97 N101 A126 A152 W155	C97-C99 PolarHBondContact O-N 3.13Å; C99-N101 VanDerWaalsContact C-N 3.35Å; C99-A126 HydrophobicContact CB-CB 4.13Å; C99-A152 HydrophobicContact CB-CB 3.94Å; C99-A152 VanDerWaalsContact O-CB 3.26Å; C99-A152 WeakPolarHBondContact O-CB 3.23Å; C99-W155 VanDerWaalsContact O-CZ3 3.25Å; C99-W155 WeakPolarHBondContact O-CZ3 3.36Å
100	S	98.1	Very high	98.5	Very high	13 Å²	13	50.9 Å²	50.9	9%	0.091	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-15	172.3	124	0	0	0	0	112.8	D98 K144 E147 V148 W155	D98-S100 PolarHBondContact O-N 2.88Å; D98-S100 VanDerWaalsContact O-N 3.16Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 2.7Å; S100-K144 WeakPolarHBondContact OG-CD 3.48Å; S100-K144 VanDerWaalsContact OG-CE 3.27Å; S100-K144 WeakPolarHBondContact OG-CE 3.47Å; S100-K144 PolarHBondContact OG-NZ 3.29Å; S100-E147 WeakPolarHBondContact CB-OE2 3.25Å; S100-E147 PolarHBondContact OG-OE2 2.88Å; S100-V148 VanDerWaalsContact CB-CG2 3.47Å; S100-W155 VanDerWaalsContact O-CH2 3.29Å; S100-W155 WeakPolarHBondContact O-CH2 3.07Å; S100-W155 WeakPolarHBondContact O-CZ3 3.28Å
101	N	98.4	Very high	98.6	Very high	66 Å²	66	49.5 Å²	49.5	35%	0.353	24%	0.238	S	C	.	.			trans	-96.1	104.3	178.7	-173.8	-27	0	0	0	111.2	D98 C99 N103 E104 V105	D98-N101 HydrophobicContact CB-CB 4.45Å; D98-N101 PolarHBondContact O-N 3.49Å; C99-N101 VanDerWaalsContact C-N 3.35Å; N101-N103 VanDerWaalsContact C-N 3.31Å; N101-N103 PolarHBondContact O-N 3.33Å; N101-N103 PolarHBondContact OD1-N 3.44Å; N101-E104 HydrophobicContact CB-CB 3.8Å; N101-E104 PolarHBondContact O-N 2.94Å; N101-E104 VanDerWaalsContact O-N 3.17Å; N101-E104 PolarHBondContact OD1-N 3.07Å; N101-V105 WeakPolarHBondContact O-CG2 3.41Å; N101-V105 PolarHBondContact O-N 3.22Å
102	K	98.5	Very high	98.6	Very high	104 Å²	104	42.9 Å²	42.9	45%	0.452	21%	0.213	S	C	.	.	H	α-helix	trans	-48.3	-48.5	176.8	-176.8	-175.9	68.5	177.9	0	113.6	E104 V105 Y106 W155	K102-E104 VanDerWaalsContact C-N 3.32Å; K102-V105 PolarHBondContact O-N 3.07Å; K102-Y106 HydrophobicContact CD-CE2 4.19Å; K102-Y106 HydrophobicContact CG-CD2 3.87Å; K102-Y106 HydrophobicContact CG-CE2 3.59Å; K102-Y106 WeakPolarHBondContact O-CD2 3.34Å; K102-Y106 PolarHBondContact O-N 3.49Å; K102-Y106 VanDerWaalsContact O-N 3.14Å; K102-W155 HydrophobicContact CB-CD2 3.9Å; K102-W155 HydrophobicContact CB-CE3 4.13Å; K102-W155 HydrophobicContact CB-CH2 3.94Å; K102-W155 HydrophobicContact CB-CZ2 3.67Å; K102-W155 HydrophobicContact CB-CZ3 4.16Å; K102-W155 HydrophobicContact CG-CD2 3.95Å; K102-W155 HydrophobicContact CG-CG 4.1Å; K102-W155 HydrophobicContact CG-CZ2 4.2Å
103	N	98.6	Very high	98.6	Very high	114 Å²	114	45.9 Å²	45.9	61%	0.61	23%	0.225	S	C	*	.	H	α-helix	trans	-69.5	-36.7	-174	-64.8	-21.6	0	0	0	110.7	N101 R107	N101-N103 VanDerWaalsContact C-N 3.31Å; N101-N103 PolarHBondContact O-N 3.33Å; N101-N103 PolarHBondContact OD1-N 3.44Å; N103-R107 VanDerWaalsContact O-CB 3.32Å; N103-R107 WeakPolarHBondContact O-CB 3.5Å; N103-R107 PolarHBondContact O-N 3.28Å
104	E	98.5	Very high	98.6	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-45	175	-165.3	174.9	158.8	0	0	111.6	C97 D98 N101 K102 Y106 R107 V108	C97-E104 WeakPolarHBondContact CA-OE1 3.48Å; D98-E104 PolarHBondContact N-OE1 2.99Å; N101-E104 HydrophobicContact CB-CB 3.8Å; N101-E104 PolarHBondContact O-N 2.94Å; N101-E104 VanDerWaalsContact O-N 3.17Å; N101-E104 PolarHBondContact OD1-N 3.07Å; K102-E104 VanDerWaalsContact C-N 3.32Å; E104-Y106 VanDerWaalsContact C-N 3.33Å; E104-Y106 PolarHBondContact O-N 2.71Å; E104-R107 PolarHBondContact O-N 2.69Å; E104-V108 HydrophobicContact CG-CG2 4.24Å; E104-V108 WeakPolarHBondContact O-CB 3.49Å; E104-V108 VanDerWaalsContact O-CG2 3.31Å; E104-V108 WeakPolarHBondContact O-CG2 3.42Å; E104-V108 PolarHBondContact O-N 3.05Å
105	V	98.8	Very high	98.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-47.7	175.5	166.3	0	0	0	0	111.5	W70 N101 K102 A109 W155 T156	W70-V105 HydrophobicContact CH2-CG1 4.42Å; W70-V105 WeakPolarHBondContact CH2-O 3.23Å; W70-V105 HydrophobicContact CZ3-CB 4.49Å; W70-V105 HydrophobicContact CZ3-CG1 4.09Å; W70-V105 HydrophobicContact CZ3-CG2 4.41Å; N101-V105 WeakPolarHBondContact O-CG2 3.41Å; N101-V105 PolarHBondContact O-N 3.22Å; K102-V105 PolarHBondContact O-N 3.07Å; V105-A109 VanDerWaalsContact O-CB 3.23Å; V105-A109 WeakPolarHBondContact O-CB 3.27Å; V105-A109 PolarHBondContact O-N 2.97Å; V105-W155 HydrophobicContact CB-CB 4.4Å; V105-W155 HydrophobicContact CB-CE3 4.45Å; V105-W155 HydrophobicContact CG1-CB 3.69Å; V105-W155 HydrophobicContact CG2-CE3 4.15Å; V105-T156 HydrophobicContact CG1-CG2 4.07Å
106	Y	98.8	Very high	98.5	Very high	69 Å²	69	55.2 Å²	55.2	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-43.3	177.8	-72.4	-58.5	0	0	0	112.6	K102 E104 V108 A109 D110 W155 K158 A159	K102-Y106 HydrophobicContact CD-CE2 4.19Å; K102-Y106 HydrophobicContact CG-CD2 3.87Å; K102-Y106 HydrophobicContact CG-CE2 3.59Å; K102-Y106 WeakPolarHBondContact O-CD2 3.34Å; K102-Y106 PolarHBondContact O-N 3.49Å; K102-Y106 VanDerWaalsContact O-N 3.14Å; E104-Y106 VanDerWaalsContact C-N 3.33Å; E104-Y106 PolarHBondContact O-N 2.71Å; Y106-V108 VanDerWaalsContact C-N 3.35Å; Y106-V108 PolarHBondContact O-N 3.18Å; Y106-A109 PolarHBondContact O-N 2.98Å; Y106-D110 PolarHBondContact O-N 3.06Å; Y106-W155 HydrophobicContact CE2-CB 4.38Å; Y106-W155 HydrophobicContact CE2-CG 4.45Å; Y106-K158 HydrophobicContact CE1-CB 4.28Å; Y106-A159 HydrophobicContact CD1-CB 4.2Å; Y106-A159 HydrophobicContact CE1-CB 4.21Å
107	R	98.8	Very high	98.5	Very high	131 Å²	131	53.4 Å²	53.4	49%	0.494	25%	0.25	S	S	.	.	H	α-helix	trans	-58.1	-46.2	177.5	-174.9	-168.4	65.4	72	0.8	111.9	N103 E104 Q111	N103-R107 VanDerWaalsContact O-CB 3.32Å; N103-R107 WeakPolarHBondContact O-CB 3.5Å; N103-R107 PolarHBondContact O-N 3.28Å; E104-R107 PolarHBondContact O-N 2.69Å; R107-Q111 PolarHBondContact O-N 2.86Å; R107-Q111 VanDerWaalsContact O-N 3.16Å
108	V	98.8	Very high	98.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-71.7	-36.8	179.1	-178.4	0	0	0	0	110.6	W70 F95 C97 E104 Y106 D110 Q111 V112	W70-V108 HydrophobicContact CD2-CG1 4.28Å; W70-V108 HydrophobicContact CH2-CB 4.12Å; W70-V108 HydrophobicContact CH2-CG1 4.13Å; W70-V108 HydrophobicContact CZ2-CB 3.91Å; W70-V108 HydrophobicContact CZ2-CG1 3.45Å; W70-V108 VanDerWaalsContact CZ2-CG1 3.45Å; F95-V108 HydrophobicContact CB-CG1 3.5Å; F95-V108 VanDerWaalsContact CB-CG1 3.5Å; F95-V108 HydrophobicContact CD1-CG1 4.05Å; F95-V108 HydrophobicContact CG-CG1 3.89Å; C97-V108 HydrophobicContact CB-CB 4.49Å; C97-V108 HydrophobicContact CB-CG1 4.36Å; C97-V108 HydrophobicContact CB-CG2 4.19Å; E104-V108 HydrophobicContact CG-CG2 4.24Å; E104-V108 WeakPolarHBondContact O-CB 3.49Å; E104-V108 VanDerWaalsContact O-CG2 3.31Å; E104-V108 WeakPolarHBondContact O-CG2 3.42Å; E104-V108 PolarHBondContact O-N 3.05Å; Y106-V108 VanDerWaalsContact C-N 3.35Å; Y106-V108 PolarHBondContact O-N 3.18Å; V108-D110 VanDerWaalsContact C-N 3.32Å; V108-D110 PolarHBondContact O-N 2.9Å; V108-Q111 WeakPolarHBondContact O-CA 3.34Å; V108-Q111 WeakPolarHBondContact O-CB 3.48Å; V108-Q111 PolarHBondContact O-N 3.21Å; V108-Q111 VanDerWaalsContact O-N 3.12Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.36Å
109	A	98.8	Very high	98.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-42.7	173.6	0	0	0	0	0	112.4	W70 V105 Y106 Q111 V112 K113 A159 F160	W70-A109 HydrophobicContact CH2-CB 4.04Å; W70-A109 HydrophobicContact CZ2-CB 4.38Å; V105-A109 VanDerWaalsContact O-CB 3.23Å; V105-A109 WeakPolarHBondContact O-CB 3.27Å; V105-A109 PolarHBondContact O-N 2.97Å; Y106-A109 PolarHBondContact O-N 2.98Å; A109-Q111 VanDerWaalsContact C-N 3.26Å; A109-Q111 PolarHBondContact O-N 2.91Å; A109-V112 WeakPolarHBondContact O-CB 3.26Å; A109-V112 PolarHBondContact O-N 3.2Å; A109-K113 WeakPolarHBondContact O-CG 3.14Å; A109-K113 PolarHBondContact O-N 3.37Å; A109-A159 HydrophobicContact CB-CB 3.66Å; A109-F160 HydrophobicContact CB-CE1 3.92Å; A109-F160 HydrophobicContact CB-CE2 4.09Å; A109-F160 HydrophobicContact CB-CZ 3.47Å; A109-F160 VanDerWaalsContact CB-CZ 3.47Å
110	D	98.7	Very high	98.6	Very high	71 Å²	71	56 Å²	56	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-65.9	-32.8	176	-68.4	-21.9	0	0	0	111.9	Y106 V108 K113 R114	Y106-D110 PolarHBondContact O-N 3.06Å; V108-D110 VanDerWaalsContact C-N 3.32Å; V108-D110 PolarHBondContact O-N 2.9Å; D110-K113 IonicContact OD1-NZ 3.15Å; D110-R114 WeakPolarHBondContact O-CG 3.44Å; D110-R114 PolarHBondContact O-N 3.44Å; D110-R114 PolarHBondContact O-NH1 2.93Å
111	Q	98.7	Very high	98.6	Very high	47 Å²	47	55.5 Å²	55.5	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-46	171.8	-168.2	-179.1	-9.9	0	0	111.7	F95 R107 V108 A109 K113 R114 E115	F95-Q111 HydrophobicContact CD1-CG 4.31Å; F95-Q111 HydrophobicContact CE1-CB 4.37Å; F95-Q111 HydrophobicContact CE1-CG 3.75Å; R107-Q111 PolarHBondContact O-N 2.86Å; R107-Q111 VanDerWaalsContact O-N 3.16Å; V108-Q111 WeakPolarHBondContact O-CA 3.34Å; V108-Q111 WeakPolarHBondContact O-CB 3.48Å; V108-Q111 PolarHBondContact O-N 3.21Å; V108-Q111 VanDerWaalsContact O-N 3.12Å; A109-Q111 VanDerWaalsContact C-N 3.26Å; A109-Q111 PolarHBondContact O-N 2.91Å; Q111-K113 VanDerWaalsContact C-N 3.35Å; Q111-K113 PolarHBondContact O-N 3.26Å; Q111-R114 PolarHBondContact O-N 3.01Å; Q111-E115 HydrophobicContact CG-CG 4.3Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.37Å; Q111-E115 PolarHBondContact NE2-OE1 3.32Å; Q111-E115 WeakPolarHBondContact O-CB 3.25Å; Q111-E115 WeakPolarHBondContact O-CG 3.26Å; Q111-E115 PolarHBondContact O-N 3.06Å
112	V	98.8	Very high	98.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-46.6	176	171.5	0	0	0	0	111.2	L44 V68 W70 F95 V108 A109 R114 E115 V116 G117 V119 F160	L44-V112 HydrophobicContact CD1-CG1 4.45Å; L44-V112 HydrophobicContact CD1-CG2 4.46Å; V68-V112 HydrophobicContact CG1-CG1 4.08Å; V68-V112 HydrophobicContact CG1-CG2 3.72Å; V68-V112 HydrophobicContact CG2-CG1 4.25Å; W70-V112 HydrophobicContact CZ2-CG2 3.92Å; F95-V112 HydrophobicContact CD2-CG2 3.81Å; F95-V112 HydrophobicContact CE1-CG2 4.43Å; F95-V112 HydrophobicContact CE2-CG2 3.63Å; F95-V112 HydrophobicContact CG-CG2 4.29Å; F95-V112 HydrophobicContact CZ-CG2 3.96Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.36Å; A109-V112 WeakPolarHBondContact O-CB 3.26Å; A109-V112 PolarHBondContact O-N 3.2Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 2.86Å; V112-E115 PolarHBondContact O-N 3.16Å; V112-V116 HydrophobicContact CG1-CB 4.37Å; V112-V116 HydrophobicContact CG1-CG2 4.45Å; V112-V116 WeakPolarHBondContact O-CA 3.5Å; V112-V116 WeakPolarHBondContact O-CB 3.39Å; V112-V116 PolarHBondContact O-N 3.22Å; V112-G117 PolarHBondContact O-N 3.06Å; V112-V119 HydrophobicContact CG1-CG2 3.9Å; V112-F160 HydrophobicContact CB-CE1 4.4Å; V112-F160 HydrophobicContact CG1-CE1 4.23Å
113	K	98.4	Very high	98.7	Very high	81 Å²	81	47.4 Å²	47.4	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-39.4	179.1	-70.3	170.9	-174.4	172.2	0	112.4	A109 D110 Q111 G117 A159	A109-K113 WeakPolarHBondContact O-CG 3.14Å; A109-K113 PolarHBondContact O-N 3.37Å; D110-K113 IonicContact OD1-NZ 3.15Å; Q111-K113 VanDerWaalsContact C-N 3.35Å; Q111-K113 PolarHBondContact O-N 3.26Å; K113-G117 WeakPolarHBondContact O-CA 3.25Å; K113-G117 PolarHBondContact O-N 3.37Å; K113-A159 WeakPolarHBondContact CE-O 3.27Å; K113-A159 PolarHBondContact NZ-O 3.34Å
114	R	98.3	Very high	98.7	Very high	180 Å²	180	42 Å²	42	68%	0.679	19%	0.193	S	C	*	.	H	α-helix	trans	-74.3	-42.1	179.1	-71.9	-171.7	-59.2	-90.5	-1.2	113.2	D110 Q111 V112	D110-R114 WeakPolarHBondContact O-CG 3.44Å; D110-R114 PolarHBondContact O-N 3.44Å; D110-R114 PolarHBondContact O-NH1 2.93Å; Q111-R114 PolarHBondContact O-N 3.01Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 2.86Å
115	E	98.4	Very high	98.7	Very high	110 Å²	110	41 Å²	41	51%	0.514	19%	0.189	S	C	.	.	H	α-helix	trans	-91.6	-26.1	-170.3	-67.5	178.5	-162.6	0	0	113.9	F95 Q111 V112	F95-E115 WeakPolarHBondContact CE1-OE2 3.21Å; Q111-E115 HydrophobicContact CG-CG 4.3Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.37Å; Q111-E115 PolarHBondContact NE2-OE1 3.32Å; Q111-E115 WeakPolarHBondContact O-CB 3.25Å; Q111-E115 WeakPolarHBondContact O-CG 3.26Å; Q111-E115 PolarHBondContact O-N 3.06Å; V112-E115 PolarHBondContact O-N 3.16Å
116	V	98.5	Very high	98.6	Very high	23 Å²	23	41.4 Å²	41.4	14%	0.139	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-46	-173	-167.8	0	0	0	0	111.3	V42 V66 V68 H93 F95 V112	V42-V116 HydrophobicContact CG1-CG1 3.89Å; V42-V116 HydrophobicContact CG2-CG1 4.49Å; V66-V116 HydrophobicContact CG1-CG1 3.93Å; V68-V116 HydrophobicContact CG2-CB 4.37Å; V68-V116 HydrophobicContact CG2-CG1 3.89Å; V68-V116 HydrophobicContact CG2-CG2 4.17Å; H93-V116 HydrophobicContact CB-CG2 4.04Å; F95-V116 HydrophobicContact CE2-CG2 4.32Å; F95-V116 HydrophobicContact CZ-CG2 4.25Å; V112-V116 HydrophobicContact CG1-CB 4.37Å; V112-V116 HydrophobicContact CG1-CG2 4.45Å; V112-V116 WeakPolarHBondContact O-CA 3.5Å; V112-V116 WeakPolarHBondContact O-CB 3.39Å; V112-V116 PolarHBondContact O-N 3.22Å
117	G	98	Very high	98.4	Very high	23 Å²	23	39.2 Å²	39.2	24%	0.237	19%	0.191	C	C	.	.			trans	118	-159.5	-176.9	0	0	0	0	0	112.8	V112 K113 V119	V112-G117 PolarHBondContact O-N 3.06Å; K113-G117 WeakPolarHBondContact O-CA 3.25Å; K113-G117 PolarHBondContact O-N 3.37Å; G117-V119 PolarHBondContact O-N 2.89Å
118	D	98.4	Very high	98.2	Very high	84 Å²	84	35.7 Å²	35.7	45%	0.449	18%	0.182	S	C	.	.			trans	-73.2	125.4	-177.3	-70.2	-27.4	0	0	0	111.6	V42 S120 A163 N167	V42-D118 WeakPolarHBondContact CB-O 3.31Å; D118-S120 PolarHBondContact O-N 3.02Å; D118-A163 HydrophobicContact CB-CB 4.18Å; D118-N167 PolarHBondContact OD2-ND2 3.32Å
119	V	98.9	Very high	97.8	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.19	C	C	.	.			trans	-72.4	123.3	173.4	175.4	0	0	0	0	109	V42 L44 V112 G117 I121 L122 F160 M164	V42-V119 HydrophobicContact CG1-CG2 4.21Å; L44-V119 HydrophobicContact CB-CG1 3.7Å; L44-V119 HydrophobicContact CB-CG2 4.07Å; L44-V119 HydrophobicContact CD1-CG2 4.02Å; V112-V119 HydrophobicContact CG1-CG2 3.9Å; G117-V119 PolarHBondContact O-N 2.89Å; V119-I121 WeakPolarHBondContact CG1-O 3.36Å; V119-L122 HydrophobicContact CG1-CB 4.34Å; V119-F160 HydrophobicContact CB-CB 4.41Å; V119-F160 HydrophobicContact CB-CD1 3.93Å; V119-F160 HydrophobicContact CB-CG 4.25Å; V119-F160 HydrophobicContact CG2-CD1 3.66Å; V119-F160 HydrophobicContact CG2-CE1 3.75Å; V119-F160 HydrophobicContact CG2-CG 4.31Å; V119-F160 HydrophobicContact CG2-CZ 4.45Å; V119-M164 HydrophobicContact CG1-CE 4.22Å; V119-M164 WeakPolarHBondContact O-CE 3.33Å
120	S	98.8	Very high	97.2	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	20%	0.196	C	C	.	.	S	Bend	trans	-100.8	-24.3	177.8	60.4	0	0	0	0	113	E41 V42 D118 G170 H171	E41-S120 WeakPolarHBondContact CB-OG 3.43Å; E41-S120 WeakPolarHBondContact OE2-CB 3.33Å; E41-S120 PolarHBondContact OE2-OG 3.47Å; V42-S120 PolarHBondContact N-OG 3.24Å; V42-S120 VanDerWaalsContact N-OG 3.14Å; V42-S120 PolarHBondContact O-N 2.89Å; V42-S120 PolarHBondContact O-OG 3.41Å; D118-S120 PolarHBondContact O-N 3.02Å; S120-G170 CarbonylContact O-C 3.37Å; S120-G170 VanDerWaalsContact O-C 3.32Å; S120-G170 WeakPolarHBondContact O-CA 3.21Å; S120-H171 PolarHBondContact O-N 3.02Å
121	I	98.9	Very high	96.3	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.5	171.2	-53.3	-175.9	0	0	0	108.9	I38 E41 V42 V43 L44 F60 V119 V123 H171 V173 V258	I38-I121 HydrophobicContact CB-CD1 4.39Å; I38-I121 HydrophobicContact CG2-CD1 4.05Å; E41-I121 HydrophobicContact CB-CD1 4.42Å; V42-I121 PolarHBondContact O-N 2.93Å; V43-I121 CarbonylContact C-O 3.52Å; V43-I121 WeakPolarHBondContact CA-O 3.49Å; V43-I121 HydrophobicContact CB-CB 4.31Å; V43-I121 HydrophobicContact CG1-CB 4.08Å; V43-I121 HydrophobicContact CG1-CG2 4.05Å; V43-I121 HydrophobicContact CG2-CB 3.99Å; V43-I121 HydrophobicContact CG2-CD1 4.02Å; V43-I121 HydrophobicContact CG2-CG1 4.26Å; L44-I121 PolarHBondContact N-O 2.85Å; F60-I121 HydrophobicContact CE1-CD1 4.29Å; F60-I121 HydrophobicContact CZ-CG2 4.2Å; V119-I121 WeakPolarHBondContact CG1-O 3.36Å; I121-V123 HydrophobicContact CG2-CG2 4.09Å; I121-H171 CarbonylContact C-O 3.55Å; I121-H171 WeakPolarHBondContact CA-O 3.5Å; I121-H171 HydrophobicContact CB-CB 4.42Å; I121-H171 HydrophobicContact CG1-CB 4.03Å; I121-H171 HydrophobicContact CG2-CB 4.21Å; I121-V173 HydrophobicContact CG2-CG2 4.19Å; I121-V258 HydrophobicContact CD1-CG1 4.31Å
122	L	98.9	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.1	176.4	173.4	63	0	0	0	109.8	L44 V119 Y157 F160 M164 H171 L172 V173	L44-L122 HydrophobicContact CB-CD1 4.28Å; L44-L122 HydrophobicContact CD2-CD1 3.64Å; L44-L122 HydrophobicContact CG-CD1 4.42Å; V119-L122 HydrophobicContact CG1-CB 4.34Å; L122-Y157 HydrophobicContact CD2-CD2 3.65Å; L122-Y157 HydrophobicContact CD2-CE2 4.01Å; L122-F160 HydrophobicContact CD1-CD2 4.02Å; L122-F160 HydrophobicContact CD1-CE2 4.46Å; L122-F160 HydrophobicContact CD2-CB 4.44Å; L122-F160 HydrophobicContact CD2-CD2 4.22Å; L122-M164 HydrophobicContact CB-CE 3.94Å; L122-H171 PolarHBondContact N-O 3.1Å; L122-L172 HydrophobicContact CB-CD2 4.26Å; L122-L172 HydrophobicContact CD2-CD2 4.12Å; L122-V173 PolarHBondContact O-N 3.39Å
123	V	98.9	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	99.3	176.2	-170	0	0	0	0	109.9	V43 L44 I45 T46 M56 F60 I121 N125 V173 I175	V43-V123 HydrophobicContact CG1-CG2 4.24Å; L44-V123 WeakPolarHBondContact O-CB 3.4Å; L44-V123 PolarHBondContact O-N 3.21Å; I45-V123 HydrophobicContact CB-CB 4.41Å; I45-V123 HydrophobicContact CG1-CB 4.08Å; I45-V123 HydrophobicContact CG1-CG2 4.12Å; I45-V123 HydrophobicContact CG2-CB 4.34Å; I45-V123 HydrophobicContact CG2-CG1 4.4Å; T46-V123 PolarHBondContact N-O 2.98Å; T46-V123 PolarHBondContact OG1-O 2.94Å; M56-V123 HydrophobicContact CE-CG1 3.69Å; M56-V123 HydrophobicContact SD-CG1 4.13Å; F60-V123 HydrophobicContact CE2-CG2 3.88Å; F60-V123 HydrophobicContact CZ-CG2 4.15Å; I121-V123 HydrophobicContact CG2-CG2 4.09Å; V123-N125 HydrophobicContact CG1-CB 4.14Å; V123-N125 PolarHBondContact O-N 3.22Å; V123-V173 WeakPolarHBondContact CA-O 3.29Å; V123-V173 HydrophobicContact CB-CB 4.38Å; V123-V173 HydrophobicContact CG1-CB 4.27Å; V123-V173 HydrophobicContact CG1-CG1 4.2Å; V123-V173 HydrophobicContact CG2-CB 4.11Å; V123-V173 HydrophobicContact CG2-CG2 4.28Å; V123-I175 HydrophobicContact CG1-CD1 4.42Å; V123-I175 HydrophobicContact CG1-CG1 4.16Å
124	N	98.8	Very high	94.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	99.7	170.6	-81.4	-27.3	0	0	0	109.7	H153 T156 Y157 V173 I175	N124-H153 WeakPolarHBondContact ND2-CA 3.4Å; N124-T156 VanDerWaalsContact CG-OG1 3.26Å; N124-T156 PolarHBondContact ND2-OG1 3.08Å; N124-T156 PolarHBondContact OD1-OG1 3.38Å; N124-Y157 VanDerWaalsContact ND2-CD2 3.28Å; N124-Y157 WeakPolarHBondContact ND2-CD2 3.47Å; N124-Y157 WeakPolarHBondContact ND2-CE2 3.49Å; N124-V173 PolarHBondContact N-O 3.16Å; N124-I175 WeakPolarHBondContact O-CB 3.43Å; N124-I175 PolarHBondContact O-N 3.28Å
125	N	98.6	Very high	94.7	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.123	24%	0.239	C	C	.	.			trans	-125.9	-22.5	-174.8	162.3	88.7	0	0	0	114.5	T46 G47 G53 M56 V123 G127 I175	T46-N125 CarbonylContact O-C 3.43Å; T46-N125 VanDerWaalsContact O-CB 3.25Å; T46-N125 WeakPolarHBondContact O-CB 3.41Å; T46-N125 PolarHBondContact O-ND2 3.33Å; T46-N125 PolarHBondContact OG1-N 3.36Å; G47-N125 PolarHBondContact O-ND2 2.8Å; G53-N125 WeakPolarHBondContact CA-ND2 3.41Å; M56-N125 HydrophobicContact CE-CB 3.69Å; M56-N125 WeakPolarHBondContact CE-OD1 3.46Å; V123-N125 HydrophobicContact CG1-CB 4.14Å; V123-N125 PolarHBondContact O-N 3.22Å; N125-G127 PolarHBondContact O-N 2.96Å; N125-I175 HydrophobicContact CB-CB 4.2Å; N125-I175 HydrophobicContact CB-CG1 3.73Å
126	A	96.9	Very high	94.4	Very high	9 Å²	9	45.2 Å²	45.2	7%	0.074	24%	0.242	C	C	.	.			trans	-49.4	133.2	175.6	0	0	0	0	0	110.5	T46 C99 V148	T46-A126 PolarHBondContact O-N 3.33Å; T46-A126 WeakPolarHBondContact OG1-CB 2.98Å; T46-A126 PolarHBondContact OG1-N 3.11Å; C99-A126 HydrophobicContact CB-CB 4.13Å; A126-V148 HydrophobicContact CB-CG1 4.29Å
127	G	94.9	Very high	94.1	Very high	23 Å²	23	44.6 Å²	44.6	24%	0.237	24%	0.239	C	C	.	.			trans	-165.6	148.1	-178.3	0	0	0	0	0	113.3	N125 N149 M230	N125-G127 PolarHBondContact O-N 2.96Å; G127-N149 WeakPolarHBondContact CA-OD1 3.17Å; G127-M230 WeakPolarHBondContact O-CE 3.33Å
128	I	94.1	Very high	94	Very high	57 Å²	57	46.1 Å²	46.1	29%	0.292	25%	0.245	S	C	.	.			trans	-127.2	161.7	174.5	66.6	172.9	0	0	0	110.6	K144 V148 N149 Y190	I128-K144 HydrophobicContact CD1-CB 4.05Å; I128-K144 HydrophobicContact CD1-CG 3.55Å; I128-V148 HydrophobicContact CD1-CG2 4.27Å; I128-V148 HydrophobicContact CG1-CB 4.28Å; I128-V148 HydrophobicContact CG2-CG1 4.33Å; I128-N149 PolarHBondContact N-OD1 3.17Å; I128-N149 PolarHBondContact O-ND2 2.93Å; I128-N149 PolarHBondContact O-OD1 2.94Å; I128-Y190 WeakPolarHBondContact O-CD2 3.39Å
129	V	91	Very high	93.9	Very high	29 Å²	29	47.9 Å²	47.9	18%	0.176	25%	0.254	C	S	.	.			trans	-138.7	129.7	175.4	61.9	0	0	0	0	108.5	L187 Y190 M230 F231 F302	V129-L187 HydrophobicContact CG2-CD2 3.43Å; V129-L187 VanDerWaalsContact CG2-CD2 3.43Å; V129-Y190 HydrophobicContact CB-CD2 3.99Å; V129-Y190 HydrophobicContact CB-CE2 4.33Å; V129-Y190 HydrophobicContact CG2-CD2 4.05Å; V129-Y190 HydrophobicContact CG2-CG 4.19Å; V129-M230 HydrophobicContact CG1-CG 3.61Å; V129-M230 HydrophobicContact CG1-SD 4.38Å; V129-F231 HydrophobicContact CG2-CE1 4.09Å; V129-F231 HydrophobicContact CG2-CZ 4.33Å; V129-F302 HydrophobicContact CG1-CE2 4.39Å; V129-F302 HydrophobicContact CG1-CZ 4.04Å
130	T	86.3	Confident	93.8	Very high	22 Å²	22	51.3 Å²	51.3	14%	0.135	28%	0.278	C	S	.	.			trans	-74.3	-41.4	176.8	-54.8	0	0	0	0	111.1	K132 A137 L141 T145 D189	T130-K132 VanDerWaalsContact C-N 3.25Å; T130-K132 HydrophobicContact CG2-CB 4.03Å; T130-K132 HydrophobicContact CG2-CD 4.21Å; T130-K132 HydrophobicContact CG2-CG 4.05Å; T130-K132 PolarHBondContact O-N 3.4Å; T130-A137 HydrophobicContact CG2-CB 4.17Å; T130-L141 HydrophobicContact CG2-CB 3.97Å; T130-L141 HydrophobicContact CG2-CD1 3.85Å; T130-T145 PolarHBondContact OG1-OG1 3.12Å; T130-D189 VanDerWaalsContact CB-OD2 3.3Å; T130-D189 WeakPolarHBondContact CB-OD2 3.14Å; T130-D189 PolarHBondContact OG1-OD2 2.93Å
131	G	79.8	Confident	93.6	Very high	20 Å²	20	54.1 Å²	54.1	21%	0.206	29%	0.292	C	S	.	.			trans	66.2	25.2	178.6	0	0	0	0	0	114.2
132	K	84.8	Confident	93.5	Very high	96 Å²	96	55.5 Å²	55.5	42%	0.417	30%	0.299	S	S	.	.	S	Bend	trans	-114.7	155.7	175.2	-65.1	-175.6	176.8	-172	0	110.1	T130 D136 A137	T130-K132 VanDerWaalsContact C-N 3.25Å; T130-K132 HydrophobicContact CG2-CB 4.03Å; T130-K132 HydrophobicContact CG2-CD 4.21Å; T130-K132 HydrophobicContact CG2-CG 4.05Å; T130-K132 PolarHBondContact O-N 3.4Å; K132-D136 WeakPolarHBondContact CD-O 3.45Å; K132-A137 HydrophobicContact CB-CB 4.2Å
133	K	88.8	Confident	93.4	Very high	129 Å²	129	61.4 Å²	61.4	56%	0.561	33%	0.327	S	S	*	.			trans	-63.2	150.3	167.2	-66.2	178.6	-179.7	174.9	0	109.2	M135 D136 A137	K133-M135 VanDerWaalsContact C-N 3.34Å; K133-M135 PolarHBondContact O-N 3.36Å; K133-D136 CarbonylContact O-C 3.57Å; K133-D136 PolarHBondContact O-N 3.4Å; K133-A137 PolarHBondContact O-N 3.19Å
134	F	91.8	Very high	93.3	Very high	125 Å²	125	64.4 Å²	64.4	55%	0.548	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-53.1	-48.2	-173.3	177.3	-111.9	0	0	0	113.1	D136 A137 I142 A188	F134-D136 PolarHBondContact O-N 2.84Å; F134-A137 PolarHBondContact O-N 3.08Å; F134-I142 HydrophobicContact CD2-CD1 4.27Å; F134-I142 HydrophobicContact CE2-CD1 4.02Å; F134-A188 HydrophobicContact CB-CB 3.95Å; F134-A188 HydrophobicContact CD2-CB 4.18Å; F134-A188 HydrophobicContact CG-CB 4.37Å
135	M	94.3	Very high	93.3	Very high	162 Å²	162	64.4 Å²	64.4	80%	0.798	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.8	-179.3	-62.4	-55.8	-60.3	0	0	114	K133	K133-M135 VanDerWaalsContact C-N 3.34Å; K133-M135 PolarHBondContact O-N 3.36Å
136	D	92.7	Very high	93.2	Very high	106 Å²	106	66.3 Å²	66.3	57%	0.567	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-102	-6.2	-178.6	-53.8	-43	0	0	0	112.1	K132 K133 F134 P138	K132-D136 WeakPolarHBondContact CD-O 3.45Å; K133-D136 CarbonylContact O-C 3.57Å; K133-D136 PolarHBondContact O-N 3.4Å; F134-D136 PolarHBondContact O-N 2.84Å; D136-P138 WeakPolarHBondContact O-CD 3.36Å
137	A	92.5	Very high	93.3	Very high	10 Å²	10	69.1 Å²	69.1	8%	0.083	36%	0.361	C	S	.	.	S	Bend	trans	-82.9	120.7	179.9	0	0	0	0	0	109.2	T130 K132 K133 F134 D139 I142	T130-A137 HydrophobicContact CG2-CB 4.17Å; K132-A137 HydrophobicContact CB-CB 4.2Å; K133-A137 PolarHBondContact O-N 3.19Å; F134-A137 PolarHBondContact O-N 3.08Å; A137-D139 PolarHBondContact O-N 3.41Å; A137-I142 HydrophobicContact CB-CD1 4.09Å; A137-I142 HydrophobicContact CB-CG1 4.04Å
138	P	95.1	Very high	93.5	Very high	55 Å²	55	68.5 Å²	68.5	36%	0.357	35%	0.352	S	S	.	.			trans	-59.9	137.9	171.6	-20.9	32.1	0	0	0	111	D136 S140 L141 I142	D136-P138 WeakPolarHBondContact O-CD 3.36Å; P138-S140 PolarHBondContact O-N 3.35Å; P138-L141 HydrophobicContact CB-CG 4.44Å; P138-L141 HydrophobicContact CG-CD1 4.24Å; P138-L141 HydrophobicContact CG-CG 4.46Å; P138-L141 PolarHBondContact O-N 2.95Å; P138-I142 PolarHBondContact O-N 2.78Å
139	D	96.7	Very high	93.7	Very high	122 Å²	122	65.8 Å²	65.8	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-52.3	-42	-179.5	-64.5	-21.9	0	0	0	112.5	A137 L141 I142 E143	A137-D139 PolarHBondContact O-N 3.41Å; D139-L141 PolarHBondContact O-N 3.05Å; D139-L141 VanDerWaalsContact O-N 3.17Å; D139-I142 WeakPolarHBondContact O-CA 3.38Å; D139-I142 WeakPolarHBondContact O-CB 3.35Å; D139-I142 PolarHBondContact O-N 3.33Å; D139-E143 WeakPolarHBondContact O-CG 3.5Å; D139-E143 PolarHBondContact O-N 3.44Å
140	S	96.6	Very high	94	Very high	75 Å²	75	64.6 Å²	64.6	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-56.2	-32.7	176.2	56.8	0	0	0	0	114.3	P138 K144	P138-S140 PolarHBondContact O-N 3.35Å; S140-K144 WeakPolarHBondContact O-CB 3.49Å; S140-K144 PolarHBondContact O-N 3.38Å
141	L	94.6	Very high	94.6	Very high	70 Å²	70	66.8 Å²	66.8	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-78.1	-34.1	175.5	-63.5	-173.1	0	0	0	111.7	T130 P138 D139 T145	T130-L141 HydrophobicContact CG2-CB 3.97Å; T130-L141 HydrophobicContact CG2-CD1 3.85Å; P138-L141 HydrophobicContact CB-CG 4.44Å; P138-L141 HydrophobicContact CG-CD1 4.24Å; P138-L141 HydrophobicContact CG-CG 4.46Å; P138-L141 PolarHBondContact O-N 2.95Å; D139-L141 PolarHBondContact O-N 3.05Å; D139-L141 VanDerWaalsContact O-N 3.17Å; L141-T145 WeakPolarHBondContact O-CB 3.27Å; L141-T145 PolarHBondContact O-N 2.74Å; L141-T145 PolarHBondContact O-OG1 3.12Å
142	I	96.6	Very high	95.5	Very high	33 Å²	33	66 Å²	66	17%	0.169	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-47.4	173.8	-59.6	175.2	0	0	0	109.7	F134 A137 P138 D139 T145 M146 D189	F134-I142 HydrophobicContact CD2-CD1 4.27Å; F134-I142 HydrophobicContact CE2-CD1 4.02Å; A137-I142 HydrophobicContact CB-CD1 4.09Å; A137-I142 HydrophobicContact CB-CG1 4.04Å; P138-I142 PolarHBondContact O-N 2.78Å; D139-I142 WeakPolarHBondContact O-CA 3.38Å; D139-I142 WeakPolarHBondContact O-CB 3.35Å; D139-I142 PolarHBondContact O-N 3.33Å; I142-T145 WeakPolarHBondContact O-CB 3.45Å; I142-T145 PolarHBondContact O-N 2.87Å; I142-M146 PolarHBondContact O-N 2.85Å; I142-M146 VanDerWaalsContact O-N 3.1Å; I142-D189 HydrophobicContact CB-CB 4.33Å; I142-D189 HydrophobicContact CG1-CB 4.14Å; I142-D189 HydrophobicContact CG2-CB 3.96Å
143	E	97.5	Very high	96.2	Very high	123 Å²	123	61.5 Å²	61.5	58%	0.575	31%	0.312	S	S	*	.	H	α-helix	trans	-58.7	-51.9	175.4	-70.5	175.8	172.5	0	0	111	D139 T145 M146 E147	D139-E143 WeakPolarHBondContact O-CG 3.5Å; D139-E143 PolarHBondContact O-N 3.44Å; E143-T145 VanDerWaalsContact C-N 3.25Å; E143-T145 PolarHBondContact O-N 2.88Å; E143-M146 WeakPolarHBondContact O-CB 3.47Å; E143-M146 PolarHBondContact O-N 2.87Å; E143-E147 WeakPolarHBondContact O-CG 3.38Å; E143-E147 PolarHBondContact O-N 3.31Å
144	K	97.2	Very high	96.7	Very high	63 Å²	63	58.5 Å²	58.5	27%	0.274	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-37.3	177.5	-169.4	77.5	178.6	-172.8	0	111.7	D98 S100 I128 S140 M146 E147 V148	D98-K144 IonicContact OD1-NZ 2.98Å; D98-K144 PolarHBondContact OD1-NZ 2.87Å; D98-K144 IonicContact OD2-NZ 3.82Å; D98-K144 PolarHBondContact OD2-NZ 3.48Å; S100-K144 WeakPolarHBondContact OG-CD 3.48Å; S100-K144 VanDerWaalsContact OG-CE 3.27Å; S100-K144 WeakPolarHBondContact OG-CE 3.47Å; S100-K144 PolarHBondContact OG-NZ 3.29Å; I128-K144 HydrophobicContact CD1-CB 4.05Å; I128-K144 HydrophobicContact CD1-CG 3.55Å; S140-K144 WeakPolarHBondContact O-CB 3.49Å; S140-K144 PolarHBondContact O-N 3.38Å; K144-M146 VanDerWaalsContact C-N 3.35Å; K144-E147 PolarHBondContact O-N 3.23Å; K144-V148 HydrophobicContact CD-CG2 4.43Å; K144-V148 HydrophobicContact CG-CG2 4.36Å; K144-V148 WeakPolarHBondContact O-CG2 3.4Å; K144-V148 PolarHBondContact O-N 3.41Å
145	T	97.8	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-45	175.2	-72	0	0	0	0	110.8	T130 L141 I142 E143 N149 D189	T130-T145 PolarHBondContact OG1-OG1 3.12Å; L141-T145 WeakPolarHBondContact O-CB 3.27Å; L141-T145 PolarHBondContact O-N 2.74Å; L141-T145 PolarHBondContact O-OG1 3.12Å; I142-T145 WeakPolarHBondContact O-CB 3.45Å; I142-T145 PolarHBondContact O-N 2.87Å; E143-T145 VanDerWaalsContact C-N 3.25Å; E143-T145 PolarHBondContact O-N 2.88Å; T145-N149 WeakPolarHBondContact O-CB 3.47Å; T145-N149 PolarHBondContact O-N 3.34Å; T145-D189 HydrophobicContact CG2-CB 4.31Å; T145-D189 PolarHBondContact OG1-OD2 3.16Å; T145-D189 VanDerWaalsContact OG1-OD2 3.07Å
146	M	98.4	Very high	97.2	Very high	64 Å²	64	46.1 Å²	46.1	32%	0.315	24%	0.24	S	C	.	.	H	α-helix	trans	-67.3	-40.4	176.2	-68.4	-60	-66.5	0	0	112.5	I142 E143 K144 T150 M151 S193	I142-M146 PolarHBondContact O-N 2.85Å; I142-M146 VanDerWaalsContact O-N 3.1Å; E143-M146 WeakPolarHBondContact O-CB 3.47Å; E143-M146 PolarHBondContact O-N 2.87Å; K144-M146 VanDerWaalsContact C-N 3.35Å; M146-T150 HydrophobicContact CE-CG2 4.49Å; M146-T150 WeakPolarHBondContact O-CA 3.46Å; M146-T150 VanDerWaalsContact O-CB 3.24Å; M146-T150 WeakPolarHBondContact O-CB 3.39Å; M146-T150 PolarHBondContact O-N 3.37Å; M146-T150 VanDerWaalsContact O-N 3.09Å; M146-M151 PolarHBondContact O-N 2.98Å; M146-S193 VanDerWaalsContact SD-CA 3.6Å
147	E	98.6	Very high	97.5	Very high	68 Å²	68	41.4 Å²	41.4	32%	0.318	22%	0.215	S	C	.	.	I	π-helix	trans	-58.9	-51.7	177.1	-71.1	176.4	170.3	0	0	111.6	S100 E143 K144 M151 A152	S100-E147 WeakPolarHBondContact CB-OE2 3.25Å; S100-E147 PolarHBondContact OG-OE2 2.88Å; E143-E147 WeakPolarHBondContact O-CG 3.38Å; E143-E147 PolarHBondContact O-N 3.31Å; K144-E147 PolarHBondContact O-N 3.23Å; E147-M151 WeakPolarHBondContact O-CB 3.3Å; E147-M151 PolarHBondContact O-N 2.68Å; E147-A152 PolarHBondContact O-N 3.5Å
148	V	98.2	Very high	97.8	Very high	10 Å²	10	48.2 Å²	48.2	6%	0.061	24%	0.242	C	C	.	.	I	π-helix	trans	-76.3	-47.5	-175.4	179.6	0	0	0	0	111.9	S100 A126 I128 K144 A152	S100-V148 VanDerWaalsContact CB-CG2 3.47Å; A126-V148 HydrophobicContact CB-CG1 4.29Å; I128-V148 HydrophobicContact CD1-CG2 4.27Å; I128-V148 HydrophobicContact CG1-CB 4.28Å; I128-V148 HydrophobicContact CG2-CG1 4.33Å; K144-V148 HydrophobicContact CD-CG2 4.43Å; K144-V148 HydrophobicContact CG-CG2 4.36Å; K144-V148 WeakPolarHBondContact O-CG2 3.4Å; K144-V148 PolarHBondContact O-N 3.41Å; V148-A152 WeakPolarHBondContact O-CB 3.42Å
149	N	98.4	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-83	-17.6	-170.4	-62.9	-2	0	0	0	113.2	G127 I128 T145 H153 S193	G127-N149 WeakPolarHBondContact CA-OD1 3.17Å; I128-N149 PolarHBondContact N-OD1 3.17Å; I128-N149 PolarHBondContact O-ND2 2.93Å; I128-N149 PolarHBondContact O-OD1 2.94Å; T145-N149 WeakPolarHBondContact O-CB 3.47Å; T145-N149 PolarHBondContact O-N 3.34Å; N149-H153 PolarHBondContact O-NE2 2.64Å; N149-S193 VanDerWaalsContact CB-OG 3.31Å; N149-S193 WeakPolarHBondContact CB-OG 3.45Å; N149-S193 PolarHBondContact ND2-OG 2.97Å
150	T	98.2	Very high	98.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	20%	0.197	C	C	.	.	I	π-helix	trans	-126.6	-60.7	-175	-50.6	0	0	0	0	111.6	M146 A152 H153 F154 S193 A196	M146-T150 HydrophobicContact CE-CG2 4.49Å; M146-T150 WeakPolarHBondContact O-CA 3.46Å; M146-T150 VanDerWaalsContact O-CB 3.24Å; M146-T150 WeakPolarHBondContact O-CB 3.39Å; M146-T150 PolarHBondContact O-N 3.37Å; M146-T150 VanDerWaalsContact O-N 3.09Å; T150-A152 VanDerWaalsContact C-N 3.3Å; T150-A152 PolarHBondContact O-N 2.87Å; T150-H153 VanDerWaalsContact O-CB 3.3Å; T150-H153 WeakPolarHBondContact O-CB 3.32Å; T150-H153 PolarHBondContact O-N 2.95Å; T150-F154 HydrophobicContact CG2-CE1 3.86Å; T150-F154 HydrophobicContact CG2-CZ 3.96Å; T150-F154 WeakPolarHBondContact O-CD1 3.09Å; T150-F154 PolarHBondContact O-N 3.22Å; T150-S193 WeakPolarHBondContact OG1-CA 3.31Å; T150-S193 PolarHBondContact OG1-O 3.32Å; T150-S193 VanDerWaalsContact OG1-O 3.07Å; T150-A196 HydrophobicContact CG2-CB 3.58Å
151	M	98.7	Very high	98.2	Very high	69 Å²	69	37.7 Å²	37.7	34%	0.34	18%	0.177	S	C	.	.	I	π-helix	trans	-66	-35.2	-171.4	-61.3	-59.9	-62.4	0	0	112.2	M146 E147 H153 F154 W155	M146-M151 PolarHBondContact O-N 2.98Å; E147-M151 WeakPolarHBondContact O-CB 3.3Å; E147-M151 PolarHBondContact O-N 2.68Å; M151-H153 PolarHBondContact O-N 3.43Å; M151-F154 HydrophobicContact CE-CD2 4.13Å; M151-F154 WeakPolarHBondContact O-CB 3.38Å; M151-F154 PolarHBondContact O-N 3.04Å; M151-F154 HydrophobicContact SD-CD2 4.06Å; M151-F154 HydrophobicContact SD-CE2 4.13Å; M151-W155 HydrophobicContact CB-CD2 4.41Å; M151-W155 HydrophobicContact CB-CH2 3.65Å; M151-W155 HydrophobicContact CB-CZ2 3.4Å; M151-W155 VanDerWaalsContact CB-CZ2 3.4Å; M151-W155 HydrophobicContact CB-CZ3 4.25Å; M151-W155 HydrophobicContact CE-CZ2 4.26Å; M151-W155 HydrophobicContact CG-CZ2 4.3Å; M151-W155 VanDerWaalsContact O-CG 3.28Å; M151-W155 PolarHBondContact O-N 3.38Å
152	A	98.8	Very high	98.3	Very high	3 Å²	3	38 Å²	38	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-52.7	-39.6	171.4	0	0	0	0	0	112.2	C99 E147 V148 T150 F154 W155 T156	C99-A152 HydrophobicContact CB-CB 3.94Å; C99-A152 VanDerWaalsContact O-CB 3.26Å; C99-A152 WeakPolarHBondContact O-CB 3.23Å; E147-A152 PolarHBondContact O-N 3.5Å; V148-A152 WeakPolarHBondContact O-CB 3.42Å; T150-A152 VanDerWaalsContact C-N 3.3Å; T150-A152 PolarHBondContact O-N 2.87Å; A152-F154 VanDerWaalsContact C-N 3.31Å; A152-F154 PolarHBondContact O-N 3.29Å; A152-W155 PolarHBondContact O-N 2.86Å; A152-T156 WeakPolarHBondContact O-CG2 3.23Å; A152-T156 PolarHBondContact O-N 3.32Å; A152-T156 PolarHBondContact O-OG1 2.99Å; A152-T156 VanDerWaalsContact O-OG1 3.07Å
153	H	98.7	Very high	98.4	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-38	178.8	-66.7	-144.7	0	0	0	111.1	N124 N149 T150 M151 W155 T156 Y157 S174 F200	N124-H153 WeakPolarHBondContact ND2-CA 3.4Å; N149-H153 PolarHBondContact O-NE2 2.64Å; T150-H153 VanDerWaalsContact O-CB 3.3Å; T150-H153 WeakPolarHBondContact O-CB 3.32Å; T150-H153 PolarHBondContact O-N 2.95Å; M151-H153 PolarHBondContact O-N 3.43Å; H153-W155 VanDerWaalsContact C-N 3.35Å; H153-T156 PolarHBondContact O-OG1 3.34Å; H153-Y157 VanDerWaalsContact O-CB 3.28Å; H153-Y157 WeakPolarHBondContact O-CB 3.4Å; H153-Y157 VanDerWaalsContact O-CD2 3.23Å; H153-Y157 WeakPolarHBondContact O-CD2 3.38Å; H153-Y157 PolarHBondContact O-N 3.49Å; H153-S174 PolarHBondContact CE1-OG 2.91Å; H153-S174 PolarHBondContact ND1-OG 3.09Å; H153-F200 HydrophobicContact CB-CD1 4.18Å; H153-F200 HydrophobicContact CB-CE1 4.02Å
154	F	98.8	Very high	98.5	Very high	66 Å²	66	31.7 Å²	31.7	29%	0.289	16%	0.157	S	C	.	.	H	α-helix	trans	-66.4	-43.1	179.1	-65.1	12.1	0	0	0	110	T150 M151 A152 K158 F200	T150-F154 HydrophobicContact CG2-CE1 3.86Å; T150-F154 HydrophobicContact CG2-CZ 3.96Å; T150-F154 WeakPolarHBondContact O-CD1 3.09Å; T150-F154 PolarHBondContact O-N 3.22Å; M151-F154 HydrophobicContact CE-CD2 4.13Å; M151-F154 WeakPolarHBondContact O-CB 3.38Å; M151-F154 PolarHBondContact O-N 3.04Å; M151-F154 HydrophobicContact SD-CD2 4.06Å; M151-F154 HydrophobicContact SD-CE2 4.13Å; A152-F154 VanDerWaalsContact C-N 3.31Å; A152-F154 PolarHBondContact O-N 3.29Å; F154-K158 WeakPolarHBondContact O-CB 3.3Å; F154-K158 WeakPolarHBondContact O-CG 3.37Å; F154-K158 PolarHBondContact O-N 2.94Å; F154-F200 HydrophobicContact CD1-CB 4.48Å; F154-F200 AromaticContact CD1-CD1 3.69Å; F154-F200 HydrophobicContact CD1-CD1 3.69Å; F154-F200 AromaticContact CD1-CD2 3.57Å; F154-F200 HydrophobicContact CD1-CD2 3.57Å; F154-F200 AromaticContact CD1-CE1 3.67Å; F154-F200 HydrophobicContact CD1-CE1 3.67Å; F154-F200 AromaticContact CD1-CE2 3.55Å; F154-F200 HydrophobicContact CD1-CE2 3.55Å; F154-F200 AromaticContact CD1-CG 3.63Å; F154-F200 HydrophobicContact CD1-CG 3.63Å; F154-F200 AromaticContact CD1-CZ 3.6Å; F154-F200 HydrophobicContact CD1-CZ 3.6Å; F154-F200 HydrophobicContact CE1-CB 3.64Å; F154-F200 AromaticContact CE1-CD1 3.7Å; F154-F200 HydrophobicContact CE1-CD1 3.7Å; F154-F200 AromaticContact CE1-CD2 3.3Å; F154-F200 HydrophobicContact CE1-CD2 3.3Å; F154-F200 HydrophobicContact CE1-CE1 4.16Å; F154-F200 AromaticContact CE1-CE2 3.81Å; F154-F200 HydrophobicContact CE1-CE2 3.81Å; F154-F200 AromaticContact CE1-CG 3.23Å; F154-F200 HydrophobicContact CE1-CG 3.23Å; F154-F200 HydrophobicContact CE1-CZ 4.2Å; F154-F200 HydrophobicContact CG-CD2 4.46Å; F154-F200 HydrophobicContact CG-CE2 4.16Å; F154-F200 HydrophobicContact CG-CZ 4.27Å; F154-F200 HydrophobicContact CZ-CB 4.35Å; F154-F200 AromaticContact CZ-CD2 3.96Å; F154-F200 HydrophobicContact CZ-CD2 3.96Å; F154-F200 HydrophobicContact CZ-CG 4.18Å
155	W	98.9	Very high	98.5	Very high	26 Å²	26	31.2 Å²	31.2	10%	0.098	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-44.6	-178.3	-53.4	-31.7	0	0	0	111.9	C99 S100 K102 V105 Y106 M151 A152 H153 K158 A159	C99-W155 VanDerWaalsContact O-CZ3 3.25Å; C99-W155 WeakPolarHBondContact O-CZ3 3.36Å; S100-W155 VanDerWaalsContact O-CH2 3.29Å; S100-W155 WeakPolarHBondContact O-CH2 3.07Å; S100-W155 WeakPolarHBondContact O-CZ3 3.28Å; K102-W155 HydrophobicContact CB-CD2 3.9Å; K102-W155 HydrophobicContact CB-CE3 4.13Å; K102-W155 HydrophobicContact CB-CH2 3.94Å; K102-W155 HydrophobicContact CB-CZ2 3.67Å; K102-W155 HydrophobicContact CB-CZ3 4.16Å; K102-W155 HydrophobicContact CG-CD2 3.95Å; K102-W155 HydrophobicContact CG-CG 4.1Å; K102-W155 HydrophobicContact CG-CZ2 4.2Å; V105-W155 HydrophobicContact CB-CB 4.4Å; V105-W155 HydrophobicContact CB-CE3 4.45Å; V105-W155 HydrophobicContact CG1-CB 3.69Å; V105-W155 HydrophobicContact CG2-CE3 4.15Å; Y106-W155 HydrophobicContact CE2-CB 4.38Å; Y106-W155 HydrophobicContact CE2-CG 4.45Å; M151-W155 HydrophobicContact CB-CD2 4.41Å; M151-W155 HydrophobicContact CB-CH2 3.65Å; M151-W155 HydrophobicContact CB-CZ2 3.4Å; M151-W155 VanDerWaalsContact CB-CZ2 3.4Å; M151-W155 HydrophobicContact CB-CZ3 4.25Å; M151-W155 HydrophobicContact CE-CZ2 4.26Å; M151-W155 HydrophobicContact CG-CZ2 4.3Å; M151-W155 VanDerWaalsContact O-CG 3.28Å; M151-W155 PolarHBondContact O-N 3.38Å; A152-W155 PolarHBondContact O-N 2.86Å; H153-W155 VanDerWaalsContact C-N 3.35Å; W155-K158 PolarHBondContact O-N 3.31Å; W155-A159 WeakPolarHBondContact O-CB 3.28Å; W155-A159 PolarHBondContact O-N 3.33Å
156	T	98.9	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-39.4	177.4	57.7	0	0	0	0	111.8	T46 W70 V105 N124 A152 H153 A159 F160	T46-T156 HydrophobicContact CG2-CG2 4.38Å; W70-T156 HydrophobicContact CZ3-CG2 4.25Å; V105-T156 HydrophobicContact CG1-CG2 4.07Å; N124-T156 VanDerWaalsContact CG-OG1 3.26Å; N124-T156 PolarHBondContact ND2-OG1 3.08Å; N124-T156 PolarHBondContact OD1-OG1 3.38Å; A152-T156 WeakPolarHBondContact O-CG2 3.23Å; A152-T156 PolarHBondContact O-N 3.32Å; A152-T156 PolarHBondContact O-OG1 2.99Å; A152-T156 VanDerWaalsContact O-OG1 3.07Å; H153-T156 PolarHBondContact O-OG1 3.34Å; T156-A159 PolarHBondContact O-N 2.86Å; T156-F160 WeakPolarHBondContact O-CD2 3.28Å; T156-F160 PolarHBondContact O-N 3.48Å
157	Y	98.7	Very high	98.5	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-49.4	173.6	-84.3	-143.7	0	0	0	110.4	L122 N124 H153 A159 F160 L161 L172 F200 V204	L122-Y157 HydrophobicContact CD2-CD2 3.65Å; L122-Y157 HydrophobicContact CD2-CE2 4.01Å; N124-Y157 VanDerWaalsContact ND2-CD2 3.28Å; N124-Y157 WeakPolarHBondContact ND2-CD2 3.47Å; N124-Y157 WeakPolarHBondContact ND2-CE2 3.49Å; H153-Y157 VanDerWaalsContact O-CB 3.28Å; H153-Y157 WeakPolarHBondContact O-CB 3.4Å; H153-Y157 VanDerWaalsContact O-CD2 3.23Å; H153-Y157 WeakPolarHBondContact O-CD2 3.38Å; H153-Y157 PolarHBondContact O-N 3.49Å; Y157-A159 PolarHBondContact O-N 3.38Å; Y157-F160 PolarHBondContact O-N 3.21Å; Y157-L161 WeakPolarHBondContact O-CB 3.38Å; Y157-L161 PolarHBondContact O-N 3.15Å; Y157-L172 HydrophobicContact CD1-CD1 4.14Å; Y157-L172 HydrophobicContact CD1-CD2 4.5Å; Y157-L172 HydrophobicContact CD2-CD2 4.2Å; Y157-L172 HydrophobicContact CE1-CB 4.35Å; Y157-L172 HydrophobicContact CE1-CD1 3.7Å; Y157-L172 HydrophobicContact CE1-CD2 4.33Å; Y157-L172 HydrophobicContact CE1-CG 4.36Å; Y157-L172 HydrophobicContact CE2-CB 4.34Å; Y157-L172 HydrophobicContact CE2-CD2 3.97Å; Y157-L172 HydrophobicContact CG-CD2 4.46Å; Y157-F200 AromaticContact CD1-CE1 3.49Å; Y157-F200 HydrophobicContact CD1-CE1 3.49Å; Y157-F200 VanDerWaalsContact CD1-CE1 3.49Å; Y157-F200 AromaticContact CD1-CZ 3.52Å; Y157-F200 HydrophobicContact CD1-CZ 3.52Å; Y157-F200 HydrophobicContact CD2-CE1 4.29Å; Y157-F200 HydrophobicContact CE1-CD1 4.47Å; Y157-F200 AromaticContact CE1-CE1 3.68Å; Y157-F200 HydrophobicContact CE1-CE1 3.68Å; Y157-F200 HydrophobicContact CE1-CZ 4.12Å; Y157-F200 HydrophobicContact CE2-CE1 4.48Å; Y157-F200 AromaticContact CG-CE1 3.8Å; Y157-F200 HydrophobicContact CG-CE1 3.8Å; Y157-F200 AromaticContact CG-CZ 3.88Å; Y157-F200 HydrophobicContact CG-CZ 3.88Å; Y157-V204 HydrophobicContact CD1-CB 4.36Å; Y157-V204 HydrophobicContact CD1-CG1 3.94Å; Y157-V204 HydrophobicContact CD1-CG2 4.2Å; Y157-V204 HydrophobicContact CE1-CB 4.21Å; Y157-V204 HydrophobicContact CE1-CG1 3.97Å; Y157-V204 HydrophobicContact CE1-CG2 4.41Å
158	K	98.7	Very high	98.5	Very high	153 Å²	153	36.2 Å²	36.2	67%	0.665	20%	0.199	S	C	*	.	H	α-helix	trans	-58.1	-33.3	175.4	-79.5	-170.7	172.5	-170.2	0	113.1	Y106 F154 W155 P162	Y106-K158 HydrophobicContact CE1-CB 4.28Å; F154-K158 WeakPolarHBondContact O-CB 3.3Å; F154-K158 WeakPolarHBondContact O-CG 3.37Å; F154-K158 PolarHBondContact O-N 2.94Å; W155-K158 PolarHBondContact O-N 3.31Å; K158-P162 WeakPolarHBondContact O-CD 3.45Å; K158-P162 WeakPolarHBondContact O-CG 3.27Å
159	A	98.8	Very high	98.5	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-74.9	-40.8	-178.7	0	0	0	0	0	113.1	Y106 A109 K113 W155 T156 Y157	Y106-A159 HydrophobicContact CD1-CB 4.2Å; Y106-A159 HydrophobicContact CE1-CB 4.21Å; A109-A159 HydrophobicContact CB-CB 3.66Å; K113-A159 WeakPolarHBondContact CE-O 3.27Å; K113-A159 PolarHBondContact NZ-O 3.34Å; W155-A159 WeakPolarHBondContact O-CB 3.28Å; W155-A159 PolarHBondContact O-N 3.33Å; T156-A159 PolarHBondContact O-N 2.86Å; Y157-A159 PolarHBondContact O-N 3.38Å
160	F	98.8	Very high	98.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-112.3	-26.7	-168.1	-59.6	-65.4	0	0	0	114.8	L44 W70 A109 V112 V119 L122 T156 Y157 P162 A163	L44-F160 HydrophobicContact CD1-CD2 4.45Å; L44-F160 HydrophobicContact CD1-CE1 4.13Å; L44-F160 HydrophobicContact CD1-CE2 3.64Å; L44-F160 HydrophobicContact CD1-CZ 3.43Å; L44-F160 VanDerWaalsContact CD1-CZ 3.43Å; W70-F160 HydrophobicContact CH2-CE2 4.07Å; W70-F160 AromaticContact CH2-CZ 4Å; W70-F160 HydrophobicContact CH2-CZ 4Å; W70-F160 HydrophobicContact CZ2-CE2 4.31Å; W70-F160 AromaticContact CZ2-CZ 3.87Å; W70-F160 HydrophobicContact CZ2-CZ 3.87Å; A109-F160 HydrophobicContact CB-CE1 3.92Å; A109-F160 HydrophobicContact CB-CE2 4.09Å; A109-F160 HydrophobicContact CB-CZ 3.47Å; A109-F160 VanDerWaalsContact CB-CZ 3.47Å; V112-F160 HydrophobicContact CB-CE1 4.4Å; V112-F160 HydrophobicContact CG1-CE1 4.23Å; V119-F160 HydrophobicContact CB-CB 4.41Å; V119-F160 HydrophobicContact CB-CD1 3.93Å; V119-F160 HydrophobicContact CB-CG 4.25Å; V119-F160 HydrophobicContact CG2-CD1 3.66Å; V119-F160 HydrophobicContact CG2-CE1 3.75Å; V119-F160 HydrophobicContact CG2-CG 4.31Å; V119-F160 HydrophobicContact CG2-CZ 4.45Å; L122-F160 HydrophobicContact CD1-CD2 4.02Å; L122-F160 HydrophobicContact CD1-CE2 4.46Å; L122-F160 HydrophobicContact CD2-CB 4.44Å; L122-F160 HydrophobicContact CD2-CD2 4.22Å; T156-F160 WeakPolarHBondContact O-CD2 3.28Å; T156-F160 PolarHBondContact O-N 3.48Å; Y157-F160 PolarHBondContact O-N 3.21Å; F160-P162 VanDerWaalsContact C-CD 3.42Å; F160-A163 PolarHBondContact O-N 3.42Å
161	L	98.4	Very high	98.5	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-36	179.9	-174.3	53.8	0	0	0	114.2	Y157 A163 M164 I165 L172 V204 L208 I216	Y157-L161 WeakPolarHBondContact O-CB 3.38Å; Y157-L161 PolarHBondContact O-N 3.15Å; L161-A163 VanDerWaalsContact C-N 3.28Å; L161-A163 PolarHBondContact O-N 2.74Å; L161-M164 HydrophobicContact CD1-CB 4.21Å; L161-M164 HydrophobicContact CD1-SD 4.29Å; L161-M164 WeakPolarHBondContact O-CB 3.49Å; L161-M164 PolarHBondContact O-N 3.36Å; L161-M164 VanDerWaalsContact O-N 3.13Å; L161-I165 HydrophobicContact CD1-CD1 4.19Å; L161-I165 HydrophobicContact CD1-CG1 3.96Å; L161-I165 HydrophobicContact CD2-CD1 4.27Å; L161-I165 HydrophobicContact CG-CD1 3.74Å; L161-I165 HydrophobicContact CG-CG1 4.03Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.02Å; L161-L172 HydrophobicContact CD1-CD1 3.91Å; L161-L172 HydrophobicContact CD1-CD2 4.37Å; L161-L172 HydrophobicContact CD1-CG 4.47Å; L161-L172 HydrophobicContact CD2-CD1 4.4Å; L161-V204 HydrophobicContact CD2-CG1 3.93Å; L161-L208 HydrophobicContact CD1-CD1 4.32Å; L161-L208 HydrophobicContact CD1-CD2 4.14Å; L161-L208 HydrophobicContact CD2-CD2 4.46Å; L161-I216 HydrophobicContact CD1-CG2 4.39Å
162	P	98.3	Very high	98.5	Very high	78 Å²	78	36.5 Å²	36.5	51%	0.506	20%	0.199	S	C	.	.	H	α-helix	trans	-55.5	-39.9	179.4	-29	36.9	0	0	0	114.1	K158 F160 I165 A166	K158-P162 WeakPolarHBondContact O-CD 3.45Å; K158-P162 WeakPolarHBondContact O-CG 3.27Å; F160-P162 VanDerWaalsContact C-CD 3.42Å; P162-I165 PolarHBondContact O-N 2.9Å; P162-A166 PolarHBondContact O-N 2.88Å
163	A	98.3	Very high	98.5	Very high	22 Å²	22	36.4 Å²	36.4	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-69.2	-41.6	177.4	0	0	0	0	0	111.8	D118 F160 L161 I165 A166 N167	D118-A163 HydrophobicContact CB-CB 4.18Å; F160-A163 PolarHBondContact O-N 3.42Å; L161-A163 VanDerWaalsContact C-N 3.28Å; L161-A163 PolarHBondContact O-N 2.74Å; A163-I165 VanDerWaalsContact C-N 3.27Å; A163-I165 PolarHBondContact O-N 2.9Å; A163-A166 PolarHBondContact O-N 3.33Å; A163-N167 WeakPolarHBondContact O-CB 3.48Å; A163-N167 PolarHBondContact O-N 3.42Å; A163-N167 PolarHBondContact O-ND2 3.25Å
164	M	98.6	Very high	98.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-39.9	174.3	-60.6	176.8	-177.7	0	0	111.7	V119 L122 L161 N167 N168 H169 L172 I216	V119-M164 HydrophobicContact CG1-CE 4.22Å; V119-M164 WeakPolarHBondContact O-CE 3.33Å; L122-M164 HydrophobicContact CB-CE 3.94Å; L161-M164 HydrophobicContact CD1-CB 4.21Å; L161-M164 HydrophobicContact CD1-SD 4.29Å; L161-M164 WeakPolarHBondContact O-CB 3.49Å; L161-M164 PolarHBondContact O-N 3.36Å; L161-M164 VanDerWaalsContact O-N 3.13Å; M164-N167 PolarHBondContact O-N 2.97Å; M164-N168 WeakPolarHBondContact O-CA 3.41Å; M164-N168 PolarHBondContact O-N 3.42Å; M164-H169 VanDerWaalsContact CA-O 3.27Å; M164-H169 WeakPolarHBondContact CA-O 3.11Å; M164-H169 WeakPolarHBondContact CB-O 3.41Å; M164-H169 PolarHBondContact O-N 2.62Å; M164-L172 HydrophobicContact CE-CD2 4.28Å; M164-L172 HydrophobicContact SD-CD2 3.82Å; M164-L172 HydrophobicContact SD-CG 4.34Å; M164-I216 HydrophobicContact CB-CD1 4.45Å; M164-I216 HydrophobicContact CB-CG1 4.43Å
165	I	98.1	Very high	98.5	Very high	52 Å²	52	33.7 Å²	33.7	27%	0.267	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-43.3	175.5	-70	176.6	0	0	0	111.9	L161 P162 A163 N167 N168 L208 K213 I216	L161-I165 HydrophobicContact CD1-CD1 4.19Å; L161-I165 HydrophobicContact CD1-CG1 3.96Å; L161-I165 HydrophobicContact CD2-CD1 4.27Å; L161-I165 HydrophobicContact CG-CD1 3.74Å; L161-I165 HydrophobicContact CG-CG1 4.03Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.02Å; P162-I165 PolarHBondContact O-N 2.9Å; A163-I165 VanDerWaalsContact C-N 3.27Å; A163-I165 PolarHBondContact O-N 2.9Å; I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N168 PolarHBondContact O-N 3.47Å; I165-L208 HydrophobicContact CD1-CD2 4.01Å; I165-L208 HydrophobicContact CG1-CD2 3.97Å; I165-K213 HydrophobicContact CG2-CD 4.25Å; I165-K213 WeakPolarHBondContact O-CE 3.48Å; I165-K213 PolarHBondContact O-NZ 3Å; I165-I216 HydrophobicContact CB-CD1 4.37Å; I165-I216 HydrophobicContact CG1-CD1 3.81Å
166	A	97.8	Very high	98.2	Very high	83 Å²	83	32.6 Å²	32.6	69%	0.686	18%	0.183	S	C	*	.	H	α-helix	trans	-64.4	-40.3	178.1	0	0	0	0	0	111.6	P162 A163	P162-A166 PolarHBondContact O-N 2.88Å; A163-A166 PolarHBondContact O-N 3.33Å
167	N	97.9	Very high	97.9	Very high	94 Å²	94	32.9 Å²	32.9	50%	0.503	19%	0.186	S	C	.	.	H	α-helix	trans	-86.3	-6.7	-177.2	-63.9	-26.6	0	0	0	113.7	D118 A163 M164 I165 H169	D118-N167 PolarHBondContact OD2-ND2 3.32Å; A163-N167 WeakPolarHBondContact O-CB 3.48Å; A163-N167 PolarHBondContact O-N 3.42Å; A163-N167 PolarHBondContact O-ND2 3.25Å; M164-N167 PolarHBondContact O-N 2.97Å; I165-N167 VanDerWaalsContact C-N 3.33Å; N167-H169 HydrophobicContact CB-CB 4.37Å; N167-H169 PolarHBondContact O-N 3.11Å
168	N	98.2	Very high	97.6	Very high	60 Å²	60	32.7 Å²	32.7	32%	0.321	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	43.7	-166.7	-170.7	33.9	0	0	0	111.7	M164 I165 K213 D214 G215	M164-N168 WeakPolarHBondContact O-CA 3.41Å; M164-N168 PolarHBondContact O-N 3.42Å; I165-N168 PolarHBondContact O-N 3.47Å; N168-K213 VanDerWaalsContact OD1-CB 3.25Å; N168-K213 WeakPolarHBondContact OD1-CB 3.42Å; N168-D214 PolarHBondContact ND2-OD1 3.04Å; N168-G215 VanDerWaalsContact O-CA 3.26Å; N168-G215 WeakPolarHBondContact O-CA 3.22Å; N168-G215 PolarHBondContact OD1-N 2.91Å
169	H	98.6	Very high	97.3	Very high	84 Å²	84	25.5 Å²	25.5	39%	0.389	16%	0.155	S	C	.	.			trans	-150.7	121.1	-177.4	178.9	65.4	0	0	0	109.6	E41 M164 N167 G215	E41-H169 VanDerWaalsContact CD-NE2 3.29Å; E41-H169 IonicContact OE1-CE1 3.9Å; E41-H169 PolarHBondContact OE1-CE1 3.01Å; E41-H169 IonicContact OE1-NE2 3.64Å; E41-H169 PolarHBondContact OE1-NE2 3.23Å; E41-H169 IonicContact OE2-CD2 3.49Å; E41-H169 IonicContact OE2-CE1 2.88Å; E41-H169 IonicContact OE2-NE2 2.71Å; E41-H169 PolarHBondContact OE2-NE2 3.37Å; M164-H169 VanDerWaalsContact CA-O 3.27Å; M164-H169 WeakPolarHBondContact CA-O 3.11Å; M164-H169 WeakPolarHBondContact CB-O 3.41Å; M164-H169 PolarHBondContact O-N 2.62Å; N167-H169 HydrophobicContact CB-CB 4.37Å; N167-H169 PolarHBondContact O-N 3.11Å; H169-G215 WeakPolarHBondContact CA-O 3.45Å
170	G	98.6	Very high	97.1	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	172.4	172.8	0	0	0	0	0	114.4	S120 G215 I216 K217	S120-G170 CarbonylContact O-C 3.37Å; S120-G170 VanDerWaalsContact O-C 3.32Å; S120-G170 WeakPolarHBondContact O-CA 3.21Å; G170-G215 PolarHBondContact N-O 3.33Å; G170-G215 VanDerWaalsContact N-O 3.13Å; G170-I216 WeakPolarHBondContact O-CA 3.47Å; G170-K217 PolarHBondContact O-N 3.07Å
171	H	98.9	Very high	96.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	115.5	172.2	-157	156.9	0	0	0	110.6	K36 S120 I121 L122 K217 T219 V258 D261	K36-H171 PolarHBondContact NZ-ND1 3.48Å; S120-H171 PolarHBondContact O-N 3.02Å; I121-H171 CarbonylContact C-O 3.55Å; I121-H171 WeakPolarHBondContact CA-O 3.5Å; I121-H171 HydrophobicContact CB-CB 4.42Å; I121-H171 HydrophobicContact CG1-CB 4.03Å; I121-H171 HydrophobicContact CG2-CB 4.21Å; L122-H171 PolarHBondContact N-O 3.1Å; H171-K217 CarbonylContact C-O 3.57Å; H171-K217 WeakPolarHBondContact CA-O 3.21Å; H171-K217 HydrophobicContact CB-CB 4.49Å; H171-K217 PolarHBondContact CD2-O 2.94Å; H171-K217 VanDerWaalsContact CD2-O 3.31Å; H171-T219 PolarHBondContact CE1-OG1 3.35Å; H171-T219 PolarHBondContact NE2-OG1 2.97Å; H171-V258 PolarHBondContact CE1-O 2.97Å; H171-V258 VanDerWaalsContact CE1-O 3.23Å; H171-V258 PolarHBondContact ND1-O 3.28Å; H171-D261 IonicContact CE1-OD1 3.94Å; H171-D261 IonicContact ND1-OD1 3.91Å
172	L	98.8	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.8	173.6	-58.7	169.4	0	0	0	110	L122 Y157 L161 M164 V204 L208 K217 T218 T219	L122-L172 HydrophobicContact CB-CD2 4.26Å; L122-L172 HydrophobicContact CD2-CD2 4.12Å; Y157-L172 HydrophobicContact CD1-CD1 4.14Å; Y157-L172 HydrophobicContact CD1-CD2 4.5Å; Y157-L172 HydrophobicContact CD2-CD2 4.2Å; Y157-L172 HydrophobicContact CE1-CB 4.35Å; Y157-L172 HydrophobicContact CE1-CD1 3.7Å; Y157-L172 HydrophobicContact CE1-CD2 4.33Å; Y157-L172 HydrophobicContact CE1-CG 4.36Å; Y157-L172 HydrophobicContact CE2-CB 4.34Å; Y157-L172 HydrophobicContact CE2-CD2 3.97Å; Y157-L172 HydrophobicContact CG-CD2 4.46Å; L161-L172 HydrophobicContact CD1-CD1 3.91Å; L161-L172 HydrophobicContact CD1-CD2 4.37Å; L161-L172 HydrophobicContact CD1-CG 4.47Å; L161-L172 HydrophobicContact CD2-CD1 4.4Å; M164-L172 HydrophobicContact CE-CD2 4.28Å; M164-L172 HydrophobicContact SD-CD2 3.82Å; M164-L172 HydrophobicContact SD-CG 4.34Å; L172-V204 HydrophobicContact CD1-CG1 4.22Å; L172-L208 HydrophobicContact CD1-CD1 3.82Å; L172-K217 PolarHBondContact N-O 3.25Å; L172-T218 HydrophobicContact CB-CG2 4.31Å; L172-T218 HydrophobicContact CD1-CG2 4.29Å; L172-T218 CarbonylContact O-C 3.47Å; L172-T218 VanDerWaalsContact O-CA 3.3Å; L172-T218 WeakPolarHBondContact O-CA 3.48Å; L172-T219 PolarHBondContact O-N 3.47Å
173	V	98.9	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.6	-179.2	-172.3	0	0	0	0	109.2	I121 L122 V123 N124 I175 T219 V221 V258	I121-V173 HydrophobicContact CG2-CG2 4.19Å; L122-V173 PolarHBondContact O-N 3.39Å; V123-V173 WeakPolarHBondContact CA-O 3.29Å; V123-V173 HydrophobicContact CB-CB 4.38Å; V123-V173 HydrophobicContact CG1-CB 4.27Å; V123-V173 HydrophobicContact CG1-CG1 4.2Å; V123-V173 HydrophobicContact CG2-CB 4.11Å; V123-V173 HydrophobicContact CG2-CG2 4.28Å; N124-V173 PolarHBondContact N-O 3.16Å; V173-I175 HydrophobicContact CG1-CD1 3.99Å; V173-T219 CarbonylContact C-O 3.54Å; V173-T219 VanDerWaalsContact CA-O 3.31Å; V173-T219 WeakPolarHBondContact CA-O 3.41Å; V173-T219 HydrophobicContact CG1-CG2 4.33Å; V173-V221 HydrophobicContact CG1-CG2 4.3Å; V173-V258 HydrophobicContact CG1-CG2 4.24Å; V173-V258 HydrophobicContact CG2-CG2 3.65Å
174	S	98.6	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.4	179.1	-172.9	0	0	0	0	110.1	H153 A176 T219 V221	H153-S174 PolarHBondContact CE1-OG 2.91Å; H153-S174 PolarHBondContact ND1-OG 3.09Å; S174-A176 PolarHBondContact O-N 3.47Å; S174-T219 PolarHBondContact N-O 3.25Å; S174-V221 PolarHBondContact O-N 3.33Å
175	I	98.3	Very high	95.3	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	92.9	172	-48.7	-53.3	0	0	0	108.5	M56 V123 N124 N125 V173 K194 V221 I254	M56-I175 HydrophobicContact CE-CG1 4.23Å; M56-I175 HydrophobicContact SD-CD1 4.16Å; M56-I175 HydrophobicContact SD-CG1 4.45Å; V123-I175 HydrophobicContact CG1-CD1 4.42Å; V123-I175 HydrophobicContact CG1-CG1 4.16Å; N124-I175 WeakPolarHBondContact O-CB 3.43Å; N124-I175 PolarHBondContact O-N 3.28Å; N125-I175 HydrophobicContact CB-CB 4.2Å; N125-I175 HydrophobicContact CB-CG1 3.73Å; V173-I175 HydrophobicContact CG1-CD1 3.99Å; I175-K194 PolarHBondContact O-NZ 2.92Å; I175-K194 VanDerWaalsContact O-NZ 3.11Å; I175-V221 HydrophobicContact CD1-CB 3.77Å; I175-V221 HydrophobicContact CD1-CG1 4.42Å; I175-V221 HydrophobicContact CD1-CG2 3.57Å; I175-I254 HydrophobicContact CD1-CD1 4.06Å; I175-I254 HydrophobicContact CD1-CG2 4.19Å
176	A	91.5	Very high	94.8	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	18%	0.176	C	C	.	.			trans	-87.4	-119.5	176.4	0	0	0	0	0	109.5	S174 V198 V221	S174-A176 PolarHBondContact O-N 3.47Å; A176-V198 HydrophobicContact CB-CG2 3.6Å; A176-V221 PolarHBondContact N-O 3.05Å
177	S	93.1	Very high	94.6	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.049	14%	0.144	C	C	.	.			trans	-175.5	162.6	175.1	-179.2	0	0	0	0	107.5	A179 G180 P223	S177-A179 PolarHBondContact O-N 2.91Å; S177-A179 PolarHBondContact OG-N 3.07Å; S177-A179 VanDerWaalsContact OG-N 3.13Å; S177-G180 PolarHBondContact O-N 3.43Å; S177-P223 CarbonylContact C-O 3.57Å; S177-P223 WeakPolarHBondContact CA-O 3.21Å; S177-P223 PolarHBondContact OG-O 3.34Å; S177-P223 VanDerWaalsContact OG-O 3.1Å
178	S	92.5	Very high	94.4	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.028	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-54.7	-28.4	160.3	58.6	0	0	0	0	112	G180 L181 I182 P223 Y224	S178-G180 PolarHBondContact O-N 3.18Å; S178-G180 VanDerWaalsContact O-N 3.14Å; S178-L181 PolarHBondContact O-N 3.08Å; S178-I182 WeakPolarHBondContact O-CG1 3.31Å; S178-I182 PolarHBondContact O-N 3.43Å; S178-I182 VanDerWaalsContact O-N 3.08Å; S178-P223 PolarHBondContact N-O 3.25Å; S178-P223 PolarHBondContact OG-O 2.87Å; S178-Y224 WeakPolarHBondContact OG-CA 3.49Å; S178-Y224 WeakPolarHBondContact OG-CD2 3.43Å
179	A	92.6	Very high	94.3	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.017	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-64.1	-10.4	173.4	0	0	0	0	0	113.9	S177 I182 V184 Y190 C191 F195	S177-A179 PolarHBondContact O-N 2.91Å; S177-A179 PolarHBondContact OG-N 3.07Å; S177-A179 VanDerWaalsContact OG-N 3.13Å; A179-I182 CarbonylContact C-O 3.48Å; A179-I182 WeakPolarHBondContact CA-O 3.3Å; A179-V184 HydrophobicContact CB-CG2 4.44Å; A179-Y190 HydrophobicContact CB-CD1 3.8Å; A179-Y190 HydrophobicContact CB-CE1 3.62Å; A179-C191 WeakPolarHBondContact O-CA 3.46Å; A179-F195 WeakPolarHBondContact O-CD2 3.32Å; A179-F195 WeakPolarHBondContact O-CE2 3.48Å
180	G	93.8	Very high	94.2	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-88.3	-1.3	169.5	0	0	0	0	0	114.4	S177 S178 K194 F195	S177-G180 PolarHBondContact O-N 3.43Å; S178-G180 PolarHBondContact O-N 3.18Å; S178-G180 VanDerWaalsContact O-N 3.14Å; G180-K194 WeakPolarHBondContact CA-O 3.39Å; G180-F195 WeakPolarHBondContact O-CD1 3.41Å; G180-F195 WeakPolarHBondContact O-CE1 3.42Å; G180-F195 WeakPolarHBondContact O-CG 3.43Å
181	L	94.1	Very high	94.1	Very high	26 Å²	26	15.6 Å²	15.6	14%	0.136	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-28.9	178.3	-57.6	176.8	0	0	0	111.6	S178 F195 V198 C222 L266 T275 K278	S178-L181 PolarHBondContact O-N 3.08Å; L181-F195 VanDerWaalsContact O-CZ 3.31Å; L181-F195 WeakPolarHBondContact O-CZ 3.24Å; L181-V198 HydrophobicContact CD2-CG1 4.07Å; L181-V198 HydrophobicContact CD2-CG2 4.44Å; L181-C222 HydrophobicContact CD1-CB 3.87Å; L181-C222 HydrophobicContact CG-CB 4.46Å; L181-L266 HydrophobicContact CD1-CD1 4.21Å; L181-L266 HydrophobicContact CD1-CD2 3.66Å; L181-L266 HydrophobicContact CD1-CG 3.85Å; L181-T275 HydrophobicContact CB-CG2 4.1Å; L181-T275 HydrophobicContact CD1-CG2 4.41Å; L181-K278 PolarHBondContact O-NZ 3.05Å
182	I	91.6	Very high	94	Very high	32 Å²	32	18 Å²	18	16%	0.164	13%	0.129	C	C	.	.	S	Bend	trans	-135.7	146.2	180	64.7	168.8	0	0	0	111	S178 A179 F195 M271 K278	S178-I182 WeakPolarHBondContact O-CG1 3.31Å; S178-I182 PolarHBondContact O-N 3.43Å; S178-I182 VanDerWaalsContact O-N 3.08Å; A179-I182 CarbonylContact C-O 3.48Å; A179-I182 WeakPolarHBondContact CA-O 3.3Å; I182-F195 VanDerWaalsContact N-CZ 3.34Å; I182-M271 HydrophobicContact CD1-CE 3.83Å; I182-M271 HydrophobicContact CG1-CE 4.42Å; I182-K278 HydrophobicContact CB-CD 4.41Å; I182-K278 HydrophobicContact CG2-CD 3.68Å
183	G	91	Very high	94	Very high	60 Å²	60	18 Å²	18	62%	0.619	13%	0.129	S	C	*	.			trans	-75.4	145.1	173.9	0	0	0	0	0	111.4
184	V	89.5	Confident	94	Very high	20 Å²	20	18.3 Å²	18.3	12%	0.121	13%	0.13	C	C	.	.			trans	-129.9	135.5	180	-176.1	0	0	0	0	109.4	A179 L187 C191 F225 L298	A179-V184 HydrophobicContact CB-CG2 4.44Å; V184-L187 HydrophobicContact CB-CB 4.29Å; V184-L187 HydrophobicContact CB-CD1 4.09Å; V184-L187 HydrophobicContact CG1-CD1 3.89Å; V184-L187 HydrophobicContact CG1-CG 4.49Å; V184-L187 PolarHBondContact O-N 3.13Å; V184-C191 PolarHBondContact N-SG 2.9Å; V184-F225 HydrophobicContact CG1-CZ 4.48Å; V184-L298 HydrophobicContact CG1-CD1 4.01Å
185	N	88.9	Confident	94	Very high	73 Å²	73	22 Å²	22	39%	0.39	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	137.6	177.6	-173.5	23.6	0	0	0	110.8	L187 F296 M299	N185-L187 VanDerWaalsContact C-N 3.3Å; N185-L187 PolarHBondContact O-N 3.46Å; N185-F296 PolarHBondContact ND2-O 3.04Å; N185-M299 VanDerWaalsContact O-CG 3.22Å; N185-M299 WeakPolarHBondContact O-CG 3.13Å
186	G	88.5	Confident	94	Very high	13 Å²	13	23.2 Å²	23.2	13%	0.134	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	12.3	-179.8	0	0	0	0	0	115.3
187	L	92.3	Very high	94.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	16%	0.157	C	C	.	.			trans	-136.4	35.9	-177.4	-70.3	-179.4	0	0	0	112	V129 V184 N185 D189 Y190 C191 F225 F231 M299	V129-L187 HydrophobicContact CG2-CD2 3.43Å; V129-L187 VanDerWaalsContact CG2-CD2 3.43Å; V184-L187 HydrophobicContact CB-CB 4.29Å; V184-L187 HydrophobicContact CB-CD1 4.09Å; V184-L187 HydrophobicContact CG1-CD1 3.89Å; V184-L187 HydrophobicContact CG1-CG 4.49Å; V184-L187 PolarHBondContact O-N 3.13Å; N185-L187 VanDerWaalsContact C-N 3.3Å; N185-L187 PolarHBondContact O-N 3.46Å; L187-D189 PolarHBondContact O-N 3.01Å; L187-Y190 HydrophobicContact CB-CD1 4.47Å; L187-Y190 HydrophobicContact CD1-CD1 4.26Å; L187-Y190 HydrophobicContact CD2-CD1 4.48Å; L187-Y190 HydrophobicContact CD2-CG 4.44Å; L187-Y190 PolarHBondContact O-N 3.39Å; L187-C191 VanDerWaalsContact O-CB 3.22Å; L187-C191 WeakPolarHBondContact O-CB 3.17Å; L187-C191 PolarHBondContact O-N 3.06Å; L187-C191 PolarHBondContact O-SG 3.35Å; L187-C191 VanDerWaalsContact O-SG 3.39Å; L187-F225 HydrophobicContact CD1-CE1 4.16Å; L187-F225 HydrophobicContact CD1-CZ 4.43Å; L187-F231 HydrophobicContact CD1-CE1 4.03Å; L187-F231 HydrophobicContact CD2-CE1 4.31Å; L187-M299 HydrophobicContact CD1-CE 4.36Å; L187-M299 HydrophobicContact CD1-CG 4.33Å; L187-M299 HydrophobicContact CD1-SD 3.89Å; L187-M299 HydrophobicContact CD2-CE 3.6Å; L187-M299 HydrophobicContact CD2-SD 4.23Å; L187-M299 HydrophobicContact CG-CE 3.99Å; L187-M299 HydrophobicContact CG-CG 4.09Å; L187-M299 HydrophobicContact CG-SD 4.02Å
188	A	94.9	Very high	94.5	Very high	45 Å²	45	23 Å²	23	37%	0.372	16%	0.156	S	C	.	.	H	α-helix	trans	-59.7	-50.5	-171.5	0	0	0	0	0	113.3	F134 A192	F134-A188 HydrophobicContact CB-CB 3.95Å; F134-A188 HydrophobicContact CD2-CB 4.18Å; F134-A188 HydrophobicContact CG-CB 4.37Å; A188-A192 WeakPolarHBondContact O-CB 3.39Å; A188-A192 PolarHBondContact O-N 3.17Å
189	D	95.1	Very high	94.8	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.043	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-44.8	175.9	63.7	-37.6	0	0	0	111.6	T130 I142 T145 L187 A192 S193	T130-D189 VanDerWaalsContact CB-OD2 3.3Å; T130-D189 WeakPolarHBondContact CB-OD2 3.14Å; T130-D189 PolarHBondContact OG1-OD2 2.93Å; I142-D189 HydrophobicContact CB-CB 4.33Å; I142-D189 HydrophobicContact CG1-CB 4.14Å; I142-D189 HydrophobicContact CG2-CB 3.96Å; T145-D189 HydrophobicContact CG2-CB 4.31Å; T145-D189 PolarHBondContact OG1-OD2 3.16Å; T145-D189 VanDerWaalsContact OG1-OD2 3.07Å; L187-D189 PolarHBondContact O-N 3.01Å; D189-A192 PolarHBondContact O-N 2.85Å; D189-S193 PolarHBondContact O-N 2.95Å
190	Y	96.1	Very high	95.1	Very high	11 Å²	11	26.2 Å²	26.2	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-47.9	177.9	-178.3	-97.4	0	0	0	111.8	I128 V129 A179 L187 S193 K194 F231	I128-Y190 WeakPolarHBondContact O-CD2 3.39Å; V129-Y190 HydrophobicContact CB-CD2 3.99Å; V129-Y190 HydrophobicContact CB-CE2 4.33Å; V129-Y190 HydrophobicContact CG2-CD2 4.05Å; V129-Y190 HydrophobicContact CG2-CG 4.19Å; A179-Y190 HydrophobicContact CB-CD1 3.8Å; A179-Y190 HydrophobicContact CB-CE1 3.62Å; L187-Y190 HydrophobicContact CB-CD1 4.47Å; L187-Y190 HydrophobicContact CD1-CD1 4.26Å; L187-Y190 HydrophobicContact CD2-CD1 4.48Å; L187-Y190 HydrophobicContact CD2-CG 4.44Å; L187-Y190 PolarHBondContact O-N 3.39Å; Y190-S193 PolarHBondContact O-N 3.49Å; Y190-S193 PolarHBondContact O-OG 2.97Å; Y190-K194 HydrophobicContact CD1-CG 4.23Å; Y190-K194 HydrophobicContact CD2-CG 4.48Å; Y190-K194 HydrophobicContact CE1-CG 3.82Å; Y190-K194 HydrophobicContact CE2-CD 4.47Å; Y190-K194 HydrophobicContact CE2-CG 4.08Å; Y190-K194 WeakPolarHBondContact O-CG 3.45Å; Y190-K194 PolarHBondContact O-N 3.29Å; Y190-K194 WeakPolarHBondContact OH-CE 3.39Å; Y190-F231 HydrophobicContact CE1-CZ 4.01Å; Y190-F231 HydrophobicContact CE2-CZ 4.46Å; Y190-F231 AromaticContact CZ-CZ 3.92Å
191	C	96.8	Very high	95.3	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-56.2	-54.5	173.6	-80.3	0	0	0	0	110	A179 V184 L187 S193 K194 F195	A179-C191 WeakPolarHBondContact O-CA 3.46Å; V184-C191 PolarHBondContact N-SG 2.9Å; L187-C191 VanDerWaalsContact O-CB 3.22Å; L187-C191 WeakPolarHBondContact O-CB 3.17Å; L187-C191 PolarHBondContact O-N 3.06Å; L187-C191 PolarHBondContact O-SG 3.35Å; L187-C191 VanDerWaalsContact O-SG 3.39Å; C191-S193 PolarHBondContact O-N 3.43Å; C191-K194 PolarHBondContact O-N 3.23Å; C191-F195 HydrophobicContact CB-CD2 4.39Å; C191-F195 VanDerWaalsContact O-CD2 3.28Å; C191-F195 WeakPolarHBondContact O-CD2 3.36Å; C191-F195 PolarHBondContact O-N 3.17Å
192	A	97.8	Very high	95.5	Very high	52 Å²	52	28.2 Å²	28.2	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-51.2	-46.2	179	0	0	0	0	0	111.9	A188 D189 K194 F195 A196	A188-A192 WeakPolarHBondContact O-CB 3.39Å; A188-A192 PolarHBondContact O-N 3.17Å; D189-A192 PolarHBondContact O-N 2.85Å; A192-K194 PolarHBondContact O-N 3.29Å; A192-F195 PolarHBondContact O-N 3.01Å; A192-A196 WeakPolarHBondContact O-CB 3.36Å; A192-A196 PolarHBondContact O-N 3.32Å
193	S	98.3	Very high	95.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-41.5	177.5	78.4	0	0	0	0	113.3	M146 N149 T150 D189 Y190 C191 A196 A197	M146-S193 VanDerWaalsContact SD-CA 3.6Å; N149-S193 VanDerWaalsContact CB-OG 3.31Å; N149-S193 WeakPolarHBondContact CB-OG 3.45Å; N149-S193 PolarHBondContact ND2-OG 2.97Å; T150-S193 WeakPolarHBondContact OG1-CA 3.31Å; T150-S193 PolarHBondContact OG1-O 3.32Å; T150-S193 VanDerWaalsContact OG1-O 3.07Å; D189-S193 PolarHBondContact O-N 2.95Å; Y190-S193 PolarHBondContact O-N 3.49Å; Y190-S193 PolarHBondContact O-OG 2.97Å; C191-S193 PolarHBondContact O-N 3.43Å; S193-A196 PolarHBondContact O-N 2.93Å; S193-A197 PolarHBondContact O-N 3.43Å
194	K	97.8	Very high	96.2	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.022	17%	0.173	C	C	.	.	H	α-helix	trans	-75.7	-30.4	-179	-65.3	-52.7	-169.7	176.6	0	112.6	I175 G180 Y190 C191 A192 A197 V198	I175-K194 PolarHBondContact O-NZ 2.92Å; I175-K194 VanDerWaalsContact O-NZ 3.11Å; G180-K194 WeakPolarHBondContact CA-O 3.39Å; Y190-K194 HydrophobicContact CD1-CG 4.23Å; Y190-K194 HydrophobicContact CD2-CG 4.48Å; Y190-K194 HydrophobicContact CE1-CG 3.82Å; Y190-K194 HydrophobicContact CE2-CD 4.47Å; Y190-K194 HydrophobicContact CE2-CG 4.08Å; Y190-K194 WeakPolarHBondContact O-CG 3.45Å; Y190-K194 PolarHBondContact O-N 3.29Å; Y190-K194 WeakPolarHBondContact OH-CE 3.39Å; C191-K194 PolarHBondContact O-N 3.23Å; A192-K194 PolarHBondContact O-N 3.29Å; K194-A197 PolarHBondContact O-N 2.82Å; K194-V198 WeakPolarHBondContact O-CG2 3.3Å; K194-V198 PolarHBondContact O-N 3.31Å
195	F	98.4	Very high	96.5	Very high	79 Å²	79	26.6 Å²	26.6	35%	0.346	17%	0.171	S	C	.	.	H	α-helix	trans	-64.4	-44.2	169.3	-89.4	-90.9	0	0	0	110.4	A179 G180 L181 I182 C191 A192 A197 V198 G199	A179-F195 WeakPolarHBondContact O-CD2 3.32Å; A179-F195 WeakPolarHBondContact O-CE2 3.48Å; G180-F195 WeakPolarHBondContact O-CD1 3.41Å; G180-F195 WeakPolarHBondContact O-CE1 3.42Å; G180-F195 WeakPolarHBondContact O-CG 3.43Å; L181-F195 VanDerWaalsContact O-CZ 3.31Å; L181-F195 WeakPolarHBondContact O-CZ 3.24Å; I182-F195 VanDerWaalsContact N-CZ 3.34Å; C191-F195 HydrophobicContact CB-CD2 4.39Å; C191-F195 VanDerWaalsContact O-CD2 3.28Å; C191-F195 WeakPolarHBondContact O-CD2 3.36Å; C191-F195 PolarHBondContact O-N 3.17Å; A192-F195 PolarHBondContact O-N 3.01Å; F195-A197 VanDerWaalsContact C-N 3.34Å; F195-A197 PolarHBondContact O-N 2.97Å; F195-V198 PolarHBondContact O-N 3.06Å; F195-G199 PolarHBondContact O-N 3.29Å
196	A	98.6	Very high	96.9	Very high	35 Å²	35	28.8 Å²	28.8	29%	0.289	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-41.9	174.9	0	0	0	0	0	111.9	T150 A192 S193 V198 F200	T150-A196 HydrophobicContact CG2-CB 3.58Å; A192-A196 WeakPolarHBondContact O-CB 3.36Å; A192-A196 PolarHBondContact O-N 3.32Å; S193-A196 PolarHBondContact O-N 2.93Å; A196-V198 PolarHBondContact O-N 2.83Å; A196-F200 WeakPolarHBondContact O-CB 3.45Å; A196-F200 PolarHBondContact O-N 3.39Å
197	A	98.3	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-38.4	177.1	0	0	0	0	0	113.5	S193 K194 F195 A201	S193-A197 PolarHBondContact O-N 3.43Å; K194-A197 PolarHBondContact O-N 2.82Å; F195-A197 VanDerWaalsContact C-N 3.34Å; F195-A197 PolarHBondContact O-N 2.97Å; A197-A201 WeakPolarHBondContact O-CB 3.43Å; A197-A201 PolarHBondContact O-N 3.31Å
198	V	98.4	Very high	97.6	Very high	5 Å²	5	34 Å²	34	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-57.2	174	171.5	0	0	0	0	109.9	A176 L181 K194 F195 A196 F200 A201 E202 I220	A176-V198 HydrophobicContact CB-CG2 3.6Å; L181-V198 HydrophobicContact CD2-CG1 4.07Å; L181-V198 HydrophobicContact CD2-CG2 4.44Å; K194-V198 WeakPolarHBondContact O-CG2 3.3Å; K194-V198 PolarHBondContact O-N 3.31Å; F195-V198 PolarHBondContact O-N 3.06Å; A196-V198 PolarHBondContact O-N 2.83Å; V198-F200 VanDerWaalsContact C-N 3.27Å; V198-F200 PolarHBondContact O-N 2.83Å; V198-A201 PolarHBondContact O-N 3.18Å; V198-A201 VanDerWaalsContact O-N 3.08Å; V198-E202 HydrophobicContact CG1-CG 4.21Å; V198-E202 WeakPolarHBondContact CG1-OE1 3.21Å; V198-E202 WeakPolarHBondContact O-CG 3.46Å; V198-E202 PolarHBondContact O-N 3.35Å; V198-I220 HydrophobicContact CG2-CG2 4.23Å
199	G	98.4	Very high	97.5	Very high	34 Å²	34	37.9 Å²	37.9	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-37.2	-177	0	0	0	0	0	113.1	F195 S203	F195-G199 PolarHBondContact O-N 3.29Å; G199-S203 WeakPolarHBondContact O-CB 3.38Å; G199-S203 PolarHBondContact O-N 3.46Å
200	F	98.6	Very high	97.5	Very high	40 Å²	40	41.9 Å²	41.9	18%	0.175	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-50	173.1	170.6	-111.1	0	0	0	112.4	H153 F154 Y157 A196 V198 E202 S203 V204	H153-F200 HydrophobicContact CB-CD1 4.18Å; H153-F200 HydrophobicContact CB-CE1 4.02Å; F154-F200 HydrophobicContact CD1-CB 4.48Å; F154-F200 AromaticContact CD1-CD1 3.69Å; F154-F200 HydrophobicContact CD1-CD1 3.69Å; F154-F200 AromaticContact CD1-CD2 3.57Å; F154-F200 HydrophobicContact CD1-CD2 3.57Å; F154-F200 AromaticContact CD1-CE1 3.67Å; F154-F200 HydrophobicContact CD1-CE1 3.67Å; F154-F200 AromaticContact CD1-CE2 3.55Å; F154-F200 HydrophobicContact CD1-CE2 3.55Å; F154-F200 AromaticContact CD1-CG 3.63Å; F154-F200 HydrophobicContact CD1-CG 3.63Å; F154-F200 AromaticContact CD1-CZ 3.6Å; F154-F200 HydrophobicContact CD1-CZ 3.6Å; F154-F200 HydrophobicContact CE1-CB 3.64Å; F154-F200 AromaticContact CE1-CD1 3.7Å; F154-F200 HydrophobicContact CE1-CD1 3.7Å; F154-F200 AromaticContact CE1-CD2 3.3Å; F154-F200 HydrophobicContact CE1-CD2 3.3Å; F154-F200 HydrophobicContact CE1-CE1 4.16Å; F154-F200 AromaticContact CE1-CE2 3.81Å; F154-F200 HydrophobicContact CE1-CE2 3.81Å; F154-F200 AromaticContact CE1-CG 3.23Å; F154-F200 HydrophobicContact CE1-CG 3.23Å; F154-F200 HydrophobicContact CE1-CZ 4.2Å; F154-F200 HydrophobicContact CG-CD2 4.46Å; F154-F200 HydrophobicContact CG-CE2 4.16Å; F154-F200 HydrophobicContact CG-CZ 4.27Å; F154-F200 HydrophobicContact CZ-CB 4.35Å; F154-F200 AromaticContact CZ-CD2 3.96Å; F154-F200 HydrophobicContact CZ-CD2 3.96Å; F154-F200 HydrophobicContact CZ-CG 4.18Å; Y157-F200 AromaticContact CD1-CE1 3.49Å; Y157-F200 HydrophobicContact CD1-CE1 3.49Å; Y157-F200 VanDerWaalsContact CD1-CE1 3.49Å; Y157-F200 AromaticContact CD1-CZ 3.52Å; Y157-F200 HydrophobicContact CD1-CZ 3.52Å; Y157-F200 HydrophobicContact CD2-CE1 4.29Å; Y157-F200 HydrophobicContact CE1-CD1 4.47Å; Y157-F200 AromaticContact CE1-CE1 3.68Å; Y157-F200 HydrophobicContact CE1-CE1 3.68Å; Y157-F200 HydrophobicContact CE1-CZ 4.12Å; Y157-F200 HydrophobicContact CE2-CE1 4.48Å; Y157-F200 AromaticContact CG-CE1 3.8Å; Y157-F200 HydrophobicContact CG-CE1 3.8Å; Y157-F200 AromaticContact CG-CZ 3.88Å; Y157-F200 HydrophobicContact CG-CZ 3.88Å; A196-F200 WeakPolarHBondContact O-CB 3.45Å; A196-F200 PolarHBondContact O-N 3.39Å; V198-F200 VanDerWaalsContact C-N 3.27Å; V198-F200 PolarHBondContact O-N 2.83Å; F200-E202 VanDerWaalsContact C-N 3.3Å; F200-E202 PolarHBondContact O-N 3.22Å; F200-S203 PolarHBondContact O-N 3.03Å; F200-V204 HydrophobicContact CD2-CG2 4.02Å; F200-V204 HydrophobicContact CE1-CG2 4.48Å; F200-V204 HydrophobicContact CE2-CG2 3.55Å; F200-V204 HydrophobicContact CZ-CG2 3.81Å; F200-V204 WeakPolarHBondContact O-CG2 3.34Å; F200-V204 PolarHBondContact O-N 3.21Å
201	A	98.3	Very high	97.4	Very high	3 Å²	3	45 Å²	45	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-35.3	-179	0	0	0	0	0	112.1	A197 V198 G205 I220	A197-A201 WeakPolarHBondContact O-CB 3.43Å; A197-A201 PolarHBondContact O-N 3.31Å; V198-A201 PolarHBondContact O-N 3.18Å; V198-A201 VanDerWaalsContact O-N 3.08Å; A201-G205 PolarHBondContact O-N 3.01Å; A201-I220 HydrophobicContact CB-CD1 3.76Å; A201-I220 HydrophobicContact CB-CG1 3.87Å
202	E	98.1	Very high	97.2	Very high	68 Å²	68	47.8 Å²	47.8	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-50.9	172.7	-69.2	178.2	162.2	0	0	111.5	V198 F200 V204 G205 L206 I220 Y264	V198-E202 HydrophobicContact CG1-CG 4.21Å; V198-E202 WeakPolarHBondContact CG1-OE1 3.21Å; V198-E202 WeakPolarHBondContact O-CG 3.46Å; V198-E202 PolarHBondContact O-N 3.35Å; F200-E202 VanDerWaalsContact C-N 3.3Å; F200-E202 PolarHBondContact O-N 3.22Å; E202-V204 PolarHBondContact O-N 3.12Å; E202-G205 PolarHBondContact O-N 3.07Å; E202-G205 VanDerWaalsContact O-N 3.16Å; E202-L206 PolarHBondContact O-N 3.43Å; E202-I220 HydrophobicContact CG-CD1 3.59Å; E202-Y264 HydrophobicContact CG-CE1 4.39Å; E202-Y264 WeakPolarHBondContact CG-OH 3.34Å; E202-Y264 VanDerWaalsContact OE1-CE1 3.3Å; E202-Y264 WeakPolarHBondContact OE1-CE1 3.31Å; E202-Y264 VanDerWaalsContact OE1-CZ 3.29Å; E202-Y264 PolarHBondContact OE1-OH 3.46Å
203	S	98.5	Very high	96.8	Very high	58 Å²	58	48.7 Å²	48.7	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-49.8	180	-170.3	0	0	0	0	111.5	G199 F200 G205 L206 E207	G199-S203 WeakPolarHBondContact O-CB 3.38Å; G199-S203 PolarHBondContact O-N 3.46Å; F200-S203 PolarHBondContact O-N 3.03Å; S203-G205 VanDerWaalsContact C-N 3.28Å; S203-G205 PolarHBondContact O-N 2.74Å; S203-L206 PolarHBondContact O-N 3.1Å; S203-L206 VanDerWaalsContact O-N 3.13Å; S203-E207 WeakPolarHBondContact O-CG 3.47Å; S203-E207 PolarHBondContact O-N 3.44Å; S203-E207 PolarHBondContact OG-OE1 2.75Å
204	V	97.8	Very high	96.6	Very high	12 Å²	12	54 Å²	54	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-37.9	178.5	173.2	0	0	0	0	111.1	Y157 L161 L172 F200 E202 L206 E207 L208	Y157-V204 HydrophobicContact CD1-CB 4.36Å; Y157-V204 HydrophobicContact CD1-CG1 3.94Å; Y157-V204 HydrophobicContact CD1-CG2 4.2Å; Y157-V204 HydrophobicContact CE1-CB 4.21Å; Y157-V204 HydrophobicContact CE1-CG1 3.97Å; Y157-V204 HydrophobicContact CE1-CG2 4.41Å; L161-V204 HydrophobicContact CD2-CG1 3.93Å; L172-V204 HydrophobicContact CD1-CG1 4.22Å; F200-V204 HydrophobicContact CD2-CG2 4.02Å; F200-V204 HydrophobicContact CE1-CG2 4.48Å; F200-V204 HydrophobicContact CE2-CG2 3.55Å; F200-V204 HydrophobicContact CZ-CG2 3.81Å; F200-V204 WeakPolarHBondContact O-CG2 3.34Å; F200-V204 PolarHBondContact O-N 3.21Å; E202-V204 PolarHBondContact O-N 3.12Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 3.13Å; V204-E207 PolarHBondContact O-N 2.84Å; V204-L208 HydrophobicContact CG1-CD1 4.11Å; V204-L208 HydrophobicContact CG1-CG 4.35Å; V204-L208 VanDerWaalsContact O-CG 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.43Å; V204-L208 PolarHBondContact O-N 3.21Å
205	G	97.1	Very high	96.6	Very high	7 Å²	7	54.7 Å²	54.7	7%	0.072	33%	0.332	C	S	.	.	H	α-helix	trans	-58.6	-44.1	174.3	0	0	0	0	0	112.6	A201 E202 S203 L208 L209	A201-G205 PolarHBondContact O-N 3.01Å; E202-G205 PolarHBondContact O-N 3.07Å; E202-G205 VanDerWaalsContact O-N 3.16Å; S203-G205 VanDerWaalsContact C-N 3.28Å; S203-G205 PolarHBondContact O-N 2.74Å; G205-L208 PolarHBondContact O-N 2.74Å; G205-L209 WeakPolarHBondContact O-CG 3.4Å; G205-L209 PolarHBondContact O-N 3.22Å
206	L	97.4	Very high	96.6	Very high	119 Å²	119	51.6 Å²	51.6	62%	0.623	32%	0.319	S	S	*	.	H	α-helix	trans	-67.1	-40.4	176.2	-66.7	175.1	0	0	0	112.4	E202 S203 V204 L208 L209 A210	E202-L206 PolarHBondContact O-N 3.43Å; S203-L206 PolarHBondContact O-N 3.1Å; S203-L206 VanDerWaalsContact O-N 3.13Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 3.13Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 2.94Å; L206-L209 HydrophobicContact CD2-CD1 4.39Å; L206-L209 PolarHBondContact O-N 3.48Å; L206-A210 WeakPolarHBondContact O-CB 3.47Å; L206-A210 PolarHBondContact O-N 2.75Å
207	E	97.6	Very high	96.6	Very high	115 Å²	115	53.2 Å²	53.2	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-42	174.3	-71.8	169.9	-142.8	0	0	111.5	S203 V204 A210 T211	S203-E207 WeakPolarHBondContact O-CG 3.47Å; S203-E207 PolarHBondContact O-N 3.44Å; S203-E207 PolarHBondContact OG-OE1 2.75Å; V204-E207 PolarHBondContact O-N 2.84Å; E207-A210 PolarHBondContact O-N 2.93Å; E207-T211 VanDerWaalsContact O-CG2 3.27Å; E207-T211 WeakPolarHBondContact O-CG2 3.38Å; E207-T211 PolarHBondContact O-N 3.3Å
208	L	96.3	Very high	96.5	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-44.4	176.4	-69.4	170.5	0	0	0	111.8	L161 I165 L172 V204 G205 L206 A210 T211 I216 T218	L161-L208 HydrophobicContact CD1-CD1 4.32Å; L161-L208 HydrophobicContact CD1-CD2 4.14Å; L161-L208 HydrophobicContact CD2-CD2 4.46Å; I165-L208 HydrophobicContact CD1-CD2 4.01Å; I165-L208 HydrophobicContact CG1-CD2 3.97Å; L172-L208 HydrophobicContact CD1-CD1 3.82Å; V204-L208 HydrophobicContact CG1-CD1 4.11Å; V204-L208 HydrophobicContact CG1-CG 4.35Å; V204-L208 VanDerWaalsContact O-CG 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.43Å; V204-L208 PolarHBondContact O-N 3.21Å; G205-L208 PolarHBondContact O-N 2.74Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 2.94Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 2.85Å; L208-T211 WeakPolarHBondContact O-CB 3.27Å; L208-T211 PolarHBondContact O-N 3.34Å; L208-T211 VanDerWaalsContact O-N 3.08Å; L208-T211 PolarHBondContact O-OG1 2.51Å; L208-I216 HydrophobicContact CD1-CB 4.47Å; L208-I216 HydrophobicContact CD1-CG2 3.79Å; L208-I216 HydrophobicContact CD2-CD1 4.03Å; L208-T218 HydrophobicContact CD1-CG2 4.35Å
209	L	93.9	Very high	96.6	Very high	126 Å²	126	54.2 Å²	54.2	66%	0.66	33%	0.326	S	S	*	.	H	α-helix	trans	-59.4	-39.8	174.6	-71.1	172.6	0	0	0	111.7	G205 L206 T211 G212	G205-L209 WeakPolarHBondContact O-CG 3.4Å; G205-L209 PolarHBondContact O-N 3.22Å; L206-L209 HydrophobicContact CD2-CD1 4.39Å; L206-L209 PolarHBondContact O-N 3.48Å; L209-T211 PolarHBondContact O-N 2.73Å; L209-G212 PolarHBondContact O-N 3.39Å
210	A	96	Very high	96.6	Very high	91 Å²	91	52.8 Å²	52.8	75%	0.752	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-21.5	177.7	0	0	0	0	0	113.3	L206 E207 L208 G212	L206-A210 WeakPolarHBondContact O-CB 3.47Å; L206-A210 PolarHBondContact O-N 2.75Å; E207-A210 PolarHBondContact O-N 2.93Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 2.85Å; A210-G212 PolarHBondContact O-N 3.24Å
211	T	93.8	Very high	96.6	Very high	77 Å²	77	50.9 Å²	50.9	47%	0.472	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.5	175.2	73.7	0	0	0	0	113.5	E207 L208 L209 K213	E207-T211 VanDerWaalsContact O-CG2 3.27Å; E207-T211 WeakPolarHBondContact O-CG2 3.38Å; E207-T211 PolarHBondContact O-N 3.3Å; L208-T211 WeakPolarHBondContact O-CB 3.27Å; L208-T211 PolarHBondContact O-N 3.34Å; L208-T211 VanDerWaalsContact O-N 3.08Å; L208-T211 PolarHBondContact O-OG1 2.51Å; L209-T211 PolarHBondContact O-N 2.73Å; T211-K213 PolarHBondContact O-N 3.5Å; T211-K213 WeakPolarHBondContact OG1-CB 3.46Å; T211-K213 PolarHBondContact OG1-N 3.04Å
212	G	92.3	Very high	96.5	Very high	67 Å²	67	50.7 Å²	50.7	69%	0.691	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.7	-174.4	0	0	0	0	0	114.4	L209 A210	L209-G212 PolarHBondContact O-N 3.39Å; A210-G212 PolarHBondContact O-N 3.24Å
213	K	89.8	Confident	96.4	Very high	71 Å²	71	47.7 Å²	47.7	31%	0.309	29%	0.287	S	S	.	.			trans	-81	122.6	173.8	-73.6	-174.4	175.6	128.1	0	110.3	I165 N168 T211 I216	I165-K213 HydrophobicContact CG2-CD 4.25Å; I165-K213 WeakPolarHBondContact O-CE 3.48Å; I165-K213 PolarHBondContact O-NZ 3Å; N168-K213 VanDerWaalsContact OD1-CB 3.25Å; N168-K213 WeakPolarHBondContact OD1-CB 3.42Å; T211-K213 PolarHBondContact O-N 3.5Å; T211-K213 WeakPolarHBondContact OG1-CB 3.46Å; T211-K213 PolarHBondContact OG1-N 3.04Å; K213-I216 HydrophobicContact CD-CD1 4.43Å
214	D	93.5	Very high	96	Very high	113 Å²	113	45.5 Å²	45.5	60%	0.604	27%	0.27	S	S	*	.			trans	-103.9	-11.4	-176.2	65.5	-19.5	0	0	0	113.6	N168 I216 K217	N168-D214 PolarHBondContact ND2-OD1 3.04Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-I216 PolarHBondContact O-N 3.2Å; D214-K217 WeakPolarHBondContact O-CE 3.37Å; D214-K217 PolarHBondContact O-NZ 3.04Å
215	G	97.3	Very high	95.6	Very high	19 Å²	19	45.4 Å²	45.4	20%	0.196	27%	0.269	C	S	.	.	S	Bend	trans	-84.9	-4.6	-175.9	0	0	0	0	0	114.8	N168 H169 G170	N168-G215 VanDerWaalsContact O-CA 3.26Å; N168-G215 WeakPolarHBondContact O-CA 3.22Å; N168-G215 PolarHBondContact OD1-N 2.91Å; H169-G215 WeakPolarHBondContact CA-O 3.45Å; G170-G215 PolarHBondContact N-O 3.33Å; G170-G215 VanDerWaalsContact N-O 3.13Å
216	I	98.1	Very high	95.1	Very high	14 Å²	14	46 Å²	46	7%	0.072	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.7	176.7	-51.5	163.6	0	0	0	108.8	L161 M164 I165 G170 L208 K213 D214	L161-I216 HydrophobicContact CD1-CG2 4.39Å; M164-I216 HydrophobicContact CB-CD1 4.45Å; M164-I216 HydrophobicContact CB-CG1 4.43Å; I165-I216 HydrophobicContact CB-CD1 4.37Å; I165-I216 HydrophobicContact CG1-CD1 3.81Å; G170-I216 WeakPolarHBondContact O-CA 3.47Å; L208-I216 HydrophobicContact CD1-CB 4.47Å; L208-I216 HydrophobicContact CD1-CG2 3.79Å; L208-I216 HydrophobicContact CD2-CD1 4.03Å; K213-I216 HydrophobicContact CD-CD1 4.43Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-I216 PolarHBondContact O-N 3.2Å
217	K	98.3	Very high	94.6	Very high	69 Å²	69	45.7 Å²	45.7	30%	0.3	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.7	-177	-51.1	-56.8	-173	-171.3	0	110.8	G170 H171 L172 D214 D261	G170-K217 PolarHBondContact O-N 3.07Å; H171-K217 CarbonylContact C-O 3.57Å; H171-K217 WeakPolarHBondContact CA-O 3.21Å; H171-K217 HydrophobicContact CB-CB 4.49Å; H171-K217 PolarHBondContact CD2-O 2.94Å; H171-K217 VanDerWaalsContact CD2-O 3.31Å; L172-K217 PolarHBondContact N-O 3.25Å; D214-K217 WeakPolarHBondContact O-CE 3.37Å; D214-K217 PolarHBondContact O-NZ 3.04Å; K217-D261 HydrophobicContact CD-CB 4.36Å; K217-D261 HydrophobicContact CG-CB 4.33Å
218	T	98.1	Very high	93.7	Very high	25 Å²	25	41.9 Å²	41.9	15%	0.153	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.1	174.2	60.3	0	0	0	0	110	L172 L208 V263	L172-T218 HydrophobicContact CB-CG2 4.31Å; L172-T218 HydrophobicContact CD1-CG2 4.29Å; L172-T218 CarbonylContact O-C 3.47Å; L172-T218 VanDerWaalsContact O-CA 3.3Å; L172-T218 WeakPolarHBondContact O-CA 3.48Å; L208-T218 HydrophobicContact CD1-CG2 4.35Å; T218-V263 WeakPolarHBondContact O-CA 3.17Å
219	T	98.8	Very high	92.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.6	172.5	-67.4	0	0	0	0	109	H171 L172 V173 S174 V221 A257 Q262 V263	H171-T219 PolarHBondContact CE1-OG1 3.35Å; H171-T219 PolarHBondContact NE2-OG1 2.97Å; L172-T219 PolarHBondContact O-N 3.47Å; V173-T219 CarbonylContact C-O 3.54Å; V173-T219 VanDerWaalsContact CA-O 3.31Å; V173-T219 WeakPolarHBondContact CA-O 3.41Å; V173-T219 HydrophobicContact CG1-CG2 4.33Å; S174-T219 PolarHBondContact N-O 3.25Å; T219-V221 HydrophobicContact CG2-CG2 3.87Å; T219-A257 HydrophobicContact CG2-CB 4.15Å; T219-Q262 WeakPolarHBondContact CG2-O 3.42Å; T219-Q262 PolarHBondContact OG1-O 2.82Å; T219-Q262 VanDerWaalsContact OG1-O 3.12Å; T219-V263 CarbonylContact C-O 3.5Å
220	I	98.7	Very high	92.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.6	176.5	-55.6	176.2	0	0	0	107.8	V198 A201 E202 V263 Y264 L265	V198-I220 HydrophobicContact CG2-CG2 4.23Å; A201-I220 HydrophobicContact CB-CD1 3.76Å; A201-I220 HydrophobicContact CB-CG1 3.87Å; E202-I220 HydrophobicContact CG-CD1 3.59Å; I220-V263 PolarHBondContact N-O 3.25Å; I220-Y264 HydrophobicContact CB-CD1 4.16Å; I220-Y264 HydrophobicContact CB-CE1 4.36Å; I220-Y264 HydrophobicContact CD1-CE1 4Å; I220-Y264 HydrophobicContact CG2-CD1 4.47Å; I220-Y264 WeakPolarHBondContact O-CA 3.39Å; I220-L265 PolarHBondContact O-N 2.95Å
221	V	98.5	Very high	91.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.6	-177.7	-167.5	0	0	0	0	109.1	V173 S174 I175 A176 T219 P223 I254 L265	V173-V221 HydrophobicContact CG1-CG2 4.3Å; S174-V221 PolarHBondContact O-N 3.33Å; I175-V221 HydrophobicContact CD1-CB 3.77Å; I175-V221 HydrophobicContact CD1-CG1 4.42Å; I175-V221 HydrophobicContact CD1-CG2 3.57Å; A176-V221 PolarHBondContact N-O 3.05Å; T219-V221 HydrophobicContact CG2-CG2 3.87Å; V221-P223 WeakPolarHBondContact O-CD 3.3Å; V221-I254 HydrophobicContact CG1-CD1 4.03Å; V221-I254 HydrophobicContact CG1-CG1 3.7Å; V221-I254 HydrophobicContact CG2-CG1 4.16Å; V221-I254 HydrophobicContact CG2-CG2 4.16Å; V221-L265 WeakPolarHBondContact CA-O 3.44Å; V221-L265 HydrophobicContact CG1-CB 4.36Å; V221-L265 HydrophobicContact CG1-CD2 4.05Å; V221-L265 HydrophobicContact CG1-CG 4.26Å
222	C	97.2	Very high	91.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	75.7	-179.5	-65.1	0	0	0	0	110.4	L181 L265 L266 L267	L181-C222 HydrophobicContact CD1-CB 3.87Å; L181-C222 HydrophobicContact CG-CB 4.46Å; C222-L265 PolarHBondContact N-O 3.19Å; C222-L266 HydrophobicContact CB-CD1 4.11Å; C222-L266 HydrophobicContact CB-CG 3.98Å; C222-L267 PolarHBondContact O-N 3.49Å
223	P	94.7	Very high	90.6	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.8	176.8	34.1	-36.2	0	0	0	112	S177 S178 V221 I226 L245 L267	S177-P223 CarbonylContact C-O 3.57Å; S177-P223 WeakPolarHBondContact CA-O 3.21Å; S177-P223 PolarHBondContact OG-O 3.34Å; S177-P223 VanDerWaalsContact OG-O 3.1Å; S178-P223 PolarHBondContact N-O 3.25Å; S178-P223 PolarHBondContact OG-O 2.87Å; V221-P223 WeakPolarHBondContact O-CD 3.3Å; P223-I226 HydrophobicContact CB-CD1 3.65Å; P223-I226 HydrophobicContact CB-CG1 4.18Å; P223-I226 HydrophobicContact CG-CD1 3.71Å; P223-L245 HydrophobicContact CB-CD1 4.16Å; P223-L267 CarbonylContact C-O 3.57Å; P223-L267 WeakPolarHBondContact CA-O 3.49Å; P223-L267 HydrophobicContact CB-CB 4.46Å
224	Y	91.6	Very high	90.2	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.043	16%	0.162	C	C	.	.			trans	-70.3	-171.8	162	-165.4	-117	0	0	0	110.7	S178 I226 L242 L267 M271 L298	S178-Y224 WeakPolarHBondContact OG-CA 3.49Å; S178-Y224 WeakPolarHBondContact OG-CD2 3.43Å; Y224-I226 WeakPolarHBondContact O-CG1 3.28Å; Y224-I226 PolarHBondContact O-N 3.49Å; Y224-L242 HydrophobicContact CE1-CB 4.18Å; Y224-L267 WeakPolarHBondContact CB-O 3.5Å; Y224-L267 PolarHBondContact N-O 3.18Å; Y224-M271 HydrophobicContact CD2-SD 4.46Å; Y224-L298 WeakPolarHBondContact OH-CD1 3.23Å; Y224-L298 VanDerWaalsContact OH-CD2 3.3Å; Y224-L298 WeakPolarHBondContact OH-CD2 3.31Å
225	F	88.5	Confident	89.6	Confident	11 Å²	11	29 Å²	29	5%	0.048	16%	0.16	C	C	.	.			trans	-55.1	137	-179.6	-60.6	-49.8	0	0	0	112.5	V184 L187 F231 C234 L245 L298 M299	V184-F225 HydrophobicContact CG1-CZ 4.48Å; L187-F225 HydrophobicContact CD1-CE1 4.16Å; L187-F225 HydrophobicContact CD1-CZ 4.43Å; F225-F231 HydrophobicContact CD1-CB 4.04Å; F225-F231 AromaticContact CD1-CD1 3.5Å; F225-F231 HydrophobicContact CD1-CD1 3.5Å; F225-F231 AromaticContact CD1-CD2 3.96Å; F225-F231 HydrophobicContact CD1-CD2 3.96Å; F225-F231 AromaticContact CD1-CE1 3.87Å; F225-F231 HydrophobicContact CD1-CE1 3.87Å; F225-F231 HydrophobicContact CD1-CE2 4.29Å; F225-F231 AromaticContact CD1-CG 3.56Å; F225-F231 HydrophobicContact CD1-CG 3.56Å; F225-F231 HydrophobicContact CD1-CZ 4.24Å; F225-F231 AromaticContact CE1-CD1 3.5Å; F225-F231 HydrophobicContact CE1-CD1 3.5Å; F225-F231 AromaticContact CE1-CE1 3.6Å; F225-F231 HydrophobicContact CE1-CE1 3.6Å; F225-F231 HydrophobicContact CE1-CG 4.07Å; F225-F231 HydrophobicContact CE1-CZ 4.24Å; F225-F231 HydrophobicContact CG-CG 4.47Å; F225-C234 HydrophobicContact CD2-CB 4.41Å; F225-L245 WeakPolarHBondContact O-CB 3.45Å; F225-L245 PolarHBondContact O-N 3.36Å; F225-L298 HydrophobicContact CE2-CB 4Å; F225-L298 HydrophobicContact CE2-CD1 4.05Å; F225-L298 HydrophobicContact CE2-CD2 4.28Å; F225-L298 HydrophobicContact CE2-CG 4.33Å; F225-L298 HydrophobicContact CZ-CB 4.27Å; F225-L298 HydrophobicContact CZ-CD1 4.43Å; F225-M299 HydrophobicContact CE1-SD 4.3Å; F225-M299 HydrophobicContact CZ-SD 4.1Å
226	I	87.7	Confident	88.9	Confident	18 Å²	18	29 Å²	29	9%	0.092	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.7	-174.5	-41.5	176.3	0	0	0	108.1	I52 P223 Y224 T228 L245 A247 V250	I52-I226 HydrophobicContact CD1-CB 4.28Å; I52-I226 HydrophobicContact CD1-CD1 3.21Å; I52-I226 HydrophobicContact CD1-CG1 4.24Å; I52-I226 HydrophobicContact CD1-CG2 3.57Å; I52-I226 HydrophobicContact CG1-CG2 4.44Å; P223-I226 HydrophobicContact CB-CD1 3.65Å; P223-I226 HydrophobicContact CB-CG1 4.18Å; P223-I226 HydrophobicContact CG-CD1 3.71Å; Y224-I226 WeakPolarHBondContact O-CG1 3.28Å; Y224-I226 PolarHBondContact O-N 3.49Å; I226-T228 VanDerWaalsContact C-N 3.28Å; I226-T228 HydrophobicContact CB-CG2 4.28Å; I226-T228 HydrophobicContact CG2-CG2 3.75Å; I226-T228 PolarHBondContact O-N 3.46Å; I226-L245 WeakPolarHBondContact CA-O 3.39Å; I226-L245 HydrophobicContact CG1-CB 4.43Å; I226-L245 HydrophobicContact CG1-CD1 4.47Å; I226-L245 HydrophobicContact CG2-CB 4.4Å; I226-A247 HydrophobicContact CG2-CB 3.97Å; I226-V250 HydrophobicContact CD1-CG1 4.25Å; I226-V250 HydrophobicContact CG2-CG2 4.35Å
227	N	85.3	Confident	88.3	Confident	113 Å²	113	33.7 Å²	33.7	60%	0.604	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	79.7	177.3	-169.3	7.2	0	0	0	111.5	I244 L245	N227-I244 HydrophobicContact CB-CG2 4.08Å; N227-L245 PolarHBondContact N-O 3.47Å
228	T	78.5	Confident	87.8	Confident	36 Å²	36	35.1 Å²	35.1	22%	0.221	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	10.4	177.6	59	0	0	0	0	112.8	I52 I226 M230 A247	I52-T228 HydrophobicContact CD1-CG2 4.36Å; I52-T228 HydrophobicContact CG1-CG2 4.05Å; I226-T228 VanDerWaalsContact C-N 3.28Å; I226-T228 HydrophobicContact CB-CG2 4.28Å; I226-T228 HydrophobicContact CG2-CG2 3.75Å; I226-T228 PolarHBondContact O-N 3.46Å; T228-M230 PolarHBondContact O-N 3.06Å; T228-A247 HydrophobicContact CG2-CB 3.56Å
229	G	80.2	Confident	87.2	Confident	23 Å²	23	37.7 Å²	37.7	24%	0.237	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-23.5	-170.7	0	0	0	0	0	114.8	F231 D232 G304 R305	G229-F231 VanDerWaalsContact C-N 3.3Å; G229-F231 PolarHBondContact O-N 3.26Å; G229-D232 PolarHBondContact O-N 2.97Å; G229-G304 CarbonylContact O-C 3.51Å; G229-R305 WeakPolarHBondContact O-CG 3.35Å; G229-R305 PolarHBondContact O-N 3.48Å; G229-R305 VanDerWaalsContact O-N 3.16Å
230	M	82.8	Confident	86.5	Confident	33 Å²	33	49.9 Å²	49.9	16%	0.163	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.2	178.9	178.8	177.4	-82.3	0	0	112.9	G127 V129 T228 F302	G127-M230 WeakPolarHBondContact O-CE 3.33Å; V129-M230 HydrophobicContact CG1-CG 3.61Å; V129-M230 HydrophobicContact CG1-SD 4.38Å; T228-M230 PolarHBondContact O-N 3.06Å; M230-F302 WeakPolarHBondContact O-CE2 3.42Å
231	F	83	Confident	85.7	Confident	21 Å²	21	53.6 Å²	53.6	9%	0.092	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	34.8	178.5	-68.7	-79.8	0	0	0	111.4	V129 L187 Y190 F225 G229 G233 C234 M299 F302	V129-F231 HydrophobicContact CG2-CE1 4.09Å; V129-F231 HydrophobicContact CG2-CZ 4.33Å; L187-F231 HydrophobicContact CD1-CE1 4.03Å; L187-F231 HydrophobicContact CD2-CE1 4.31Å; Y190-F231 HydrophobicContact CE1-CZ 4.01Å; Y190-F231 HydrophobicContact CE2-CZ 4.46Å; Y190-F231 AromaticContact CZ-CZ 3.92Å; F225-F231 HydrophobicContact CD1-CB 4.04Å; F225-F231 AromaticContact CD1-CD1 3.5Å; F225-F231 HydrophobicContact CD1-CD1 3.5Å; F225-F231 AromaticContact CD1-CD2 3.96Å; F225-F231 HydrophobicContact CD1-CD2 3.96Å; F225-F231 AromaticContact CD1-CE1 3.87Å; F225-F231 HydrophobicContact CD1-CE1 3.87Å; F225-F231 HydrophobicContact CD1-CE2 4.29Å; F225-F231 AromaticContact CD1-CG 3.56Å; F225-F231 HydrophobicContact CD1-CG 3.56Å; F225-F231 HydrophobicContact CD1-CZ 4.24Å; F225-F231 AromaticContact CE1-CD1 3.5Å; F225-F231 HydrophobicContact CE1-CD1 3.5Å; F225-F231 AromaticContact CE1-CE1 3.6Å; F225-F231 HydrophobicContact CE1-CE1 3.6Å; F225-F231 HydrophobicContact CE1-CG 4.07Å; F225-F231 HydrophobicContact CE1-CZ 4.24Å; F225-F231 HydrophobicContact CG-CG 4.47Å; G229-F231 VanDerWaalsContact C-N 3.3Å; G229-F231 PolarHBondContact O-N 3.26Å; F231-G233 PolarHBondContact O-N 2.83Å; F231-C234 HydrophobicContact CB-CB 4.42Å; F231-C234 WeakPolarHBondContact O-CB 3.13Å; F231-C234 PolarHBondContact O-N 3.15Å; F231-M299 HydrophobicContact CD1-SD 4.39Å; F231-F302 HydrophobicContact CD1-CD2 4.46Å; F231-F302 HydrophobicContact CD1-CE2 4.16Å
232	D	83.1	Confident	85.2	Confident	65 Å²	65	54.2 Å²	54.2	35%	0.348	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	140	176.2	-172.1	37.6	0	0	0	110.8	G229 C234 R303 G304	G229-D232 PolarHBondContact O-N 2.97Å; D232-C234 VanDerWaalsContact C-N 3.32Å; D232-C234 PolarHBondContact O-N 3.49Å; D232-R303 PolarHBondContact O-N 3.3Å; D232-G304 PolarHBondContact O-N 3.48Å
233	G	78.8	Confident	84.8	Confident	14 Å²	14	56.2 Å²	56.2	14%	0.144	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-5.7	-174.6	0	0	0	0	0	115.8	F231 T301	F231-G233 PolarHBondContact O-N 2.83Å; G233-T301 CarbonylContact C-O 3.49Å; G233-T301 WeakPolarHBondContact CA-O 3.42Å; G233-T301 CarbonylContact O-C 3.57Å; G233-T301 VanDerWaalsContact O-CB 3.3Å; G233-T301 WeakPolarHBondContact O-CB 3.45Å; G233-T301 PolarHBondContact O-OG1 2.74Å
234	C	81.6	Confident	84.6	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.034	30%	0.295	C	S	.	.			trans	-69.5	142.1	173.6	-71.2	0	0	0	0	112	F225 F231 D232 I244 M299	F225-C234 HydrophobicContact CD2-CB 4.41Å; F231-C234 HydrophobicContact CB-CB 4.42Å; F231-C234 WeakPolarHBondContact O-CB 3.13Å; F231-C234 PolarHBondContact O-N 3.15Å; D232-C234 VanDerWaalsContact C-N 3.32Å; D232-C234 PolarHBondContact O-N 3.49Å; C234-I244 WeakPolarHBondContact O-CD1 3.33Å; C234-M299 PolarHBondContact SG-SD 3.11Å
235	H	80.1	Confident	84.6	Confident	122 Å²	122	59.9 Å²	59.9	57%	0.565	30%	0.298	S	S	*	.			trans	-123.1	148.4	177.7	-69	-57.4	0	0	0	112.1	L298 T301	H235-L298 WeakPolarHBondContact O-CD2 3.23Å; H235-T301 PolarHBondContact CD2-OG1 2.85Å
236	T	83.4	Confident	84.9	Confident	21 Å²	21	63.1 Å²	63.1	13%	0.129	32%	0.316	C	S	.	.			trans	-120	130.6	175.8	178.2	0	0	0	0	109	W238 P239 L242 I244	T236-W238 VanDerWaalsContact C-N 3.34Å; T236-W238 PolarHBondContact O-N 3.27Å; T236-P239 HydrophobicContact CG2-CB 4.1Å; T236-P239 HydrophobicContact CG2-CG 3.94Å; T236-L242 WeakPolarHBondContact CB-O 3.25Å; T236-L242 WeakPolarHBondContact CG2-O 3.28Å; T236-L242 PolarHBondContact OG1-O 3.17Å; T236-I244 HydrophobicContact CG2-CG1 4.3Å
237	K	86.5	Confident	85.2	Confident	111 Å²	111	62.9 Å²	62.9	48%	0.483	32%	0.317	S	S	.	.	S	Bend	trans	-69.1	-33.3	-176.4	-173.8	174.6	172.5	-169.7	0	112.6	P239 Y292 L293	K237-P239 WeakPolarHBondContact O-CD 3.19Å; K237-Y292 WeakPolarHBondContact CD-O 3.49Å; K237-Y292 WeakPolarHBondContact CE-O 3.33Å; K237-Y292 PolarHBondContact NZ-O 2.85Å; K237-L293 WeakPolarHBondContact CB-O 3.49Å
238	W	86.9	Confident	85.7	Confident	99 Å²	99	62.9 Å²	62.9	38%	0.375	31%	0.313	S	S	.	.			trans	-124.8	79.5	179.9	-55.2	110.1	0	0	0	111.6	T236 R240 L241 L242 Y292	T236-W238 VanDerWaalsContact C-N 3.34Å; T236-W238 PolarHBondContact O-N 3.27Å; W238-R240 PolarHBondContact O-N 3.12Å; W238-L241 HydrophobicContact CB-CB 4.38Å; W238-L241 PolarHBondContact O-N 3.09Å; W238-L242 PolarHBondContact O-N 3.27Å; W238-Y292 HydrophobicContact CZ2-CE1 4.38Å; W238-Y292 AromaticContact CZ2-CE2 4Å; W238-Y292 HydrophobicContact CZ2-CE2 4Å; W238-Y292 AromaticContact CZ2-CZ 3.79Å; W238-Y292 AromaticContact NE1-CD1 3.99Å; W238-Y292 AromaticContact NE1-CE1 3.76Å; W238-Y292 PolarHBondContact NE1-O 3.33Å
239	P	84.9	Confident	86.5	Confident	80 Å²	80	68.2 Å²	68.2	52%	0.519	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.5	-176.8	-22.5	30.1	0	0	0	114.6	T236 K237 L241 P243	T236-P239 HydrophobicContact CG2-CB 4.1Å; T236-P239 HydrophobicContact CG2-CG 3.94Å; K237-P239 WeakPolarHBondContact O-CD 3.19Å; P239-L241 VanDerWaalsContact C-N 3.33Å; P239-P243 VanDerWaalsContact O-CA 3.23Å; P239-P243 WeakPolarHBondContact O-CA 3.35Å; P239-P243 WeakPolarHBondContact O-CB 3.24Å; P239-P243 VanDerWaalsContact O-CD 3.25Å; P239-P243 WeakPolarHBondContact O-CD 3.19Å; P239-P243 VanDerWaalsContact O-N 3.15Å
240	R	84.4	Confident	87.3	Confident	257 Å²	257	67.3 Å²	67.3	97%	0.97	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.1	175.3	-70.9	-174.7	179.3	163.4	0.4	112.8	W238	W238-R240 PolarHBondContact O-N 3.12Å
241	L	82.3	Confident	88.1	Confident	80 Å²	80	65.8 Å²	65.8	42%	0.419	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-40.6	-178.7	-176.6	63.6	0	0	0	112.1	W238 P239 P243 S270 L293	W238-L241 HydrophobicContact CB-CB 4.38Å; W238-L241 PolarHBondContact O-N 3.09Å; P239-L241 VanDerWaalsContact C-N 3.33Å; L241-P243 VanDerWaalsContact C-CD 3.47Å; L241-S270 PolarHBondContact O-OG 3Å; L241-L293 HydrophobicContact CD2-CD2 3.72Å
242	L	87.2	Confident	88.8	Confident	14 Å²	14	70.1 Å²	70.1	7%	0.073	33%	0.334	C	S	.	.	S	Bend	trans	-128.3	68.8	-178.8	-69.6	173.4	0	0	0	110.2	Y224 T236 W238 P268 M271 I274	Y224-L242 HydrophobicContact CE1-CB 4.18Å; T236-L242 WeakPolarHBondContact CB-O 3.25Å; T236-L242 WeakPolarHBondContact CG2-O 3.28Å; T236-L242 PolarHBondContact OG1-O 3.17Å; W238-L242 PolarHBondContact O-N 3.27Å; L242-P268 HydrophobicContact CD2-CG 4.37Å; L242-M271 HydrophobicContact CD2-SD 3.85Å; L242-I274 HydrophobicContact CD1-CD1 4.4Å; L242-I274 HydrophobicContact CD2-CD1 3.7Å; L242-I274 HydrophobicContact CG-CD1 4.33Å
243	P	90.3	Very high	89.5	Confident	42 Å²	42	71.7 Å²	71.7	27%	0.273	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.3	144.6	178.2	25.8	-34	0	0	0	111.9	P239 L241 L245 P268	P239-P243 VanDerWaalsContact O-CA 3.23Å; P239-P243 WeakPolarHBondContact O-CA 3.35Å; P239-P243 WeakPolarHBondContact O-CB 3.24Å; P239-P243 VanDerWaalsContact O-CD 3.25Å; P239-P243 WeakPolarHBondContact O-CD 3.19Å; P239-P243 VanDerWaalsContact O-N 3.15Å; L241-P243 VanDerWaalsContact C-CD 3.47Å; P243-L245 HydrophobicContact CG-CD2 4.47Å; P243-L245 PolarHBondContact O-N 3.48Å; P243-P268 HydrophobicContact CG-CB 4.34Å
244	I	88.9	Confident	90.4	Very high	71 Å²	71	71.1 Å²	71.1	36%	0.364	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-64.4	127.5	159.8	-59.8	174.3	0	0	0	107.4	N227 C234 T236	N227-I244 HydrophobicContact CB-CG2 4.08Å; C234-I244 WeakPolarHBondContact O-CD1 3.33Å; T236-I244 HydrophobicContact CG2-CG1 4.3Å
245	L	91.9	Very high	91.2	Very high	22 Å²	22	71 Å²	71	12%	0.115	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.6	-170.8	-57.5	175.1	0	0	0	111.2	P223 F225 I226 N227 P243 V250 L267 P268	P223-L245 HydrophobicContact CB-CD1 4.16Å; F225-L245 WeakPolarHBondContact O-CB 3.45Å; F225-L245 PolarHBondContact O-N 3.36Å; I226-L245 WeakPolarHBondContact CA-O 3.39Å; I226-L245 HydrophobicContact CG1-CB 4.43Å; I226-L245 HydrophobicContact CG1-CD1 4.47Å; I226-L245 HydrophobicContact CG2-CB 4.4Å; N227-L245 PolarHBondContact N-O 3.47Å; P243-L245 HydrophobicContact CG-CD2 4.47Å; P243-L245 PolarHBondContact O-N 3.48Å; L245-V250 HydrophobicContact CB-CG2 3.6Å; L245-V250 HydrophobicContact CD1-CG2 3.94Å; L245-V250 HydrophobicContact CG-CG2 4.34Å; L245-L267 HydrophobicContact CD1-CB 3.7Å; L245-P268 HydrophobicContact CD2-CB 4.34Å
246	N	94.4	Very high	92.1	Very high	79 Å²	79	68.9 Å²	68.9	42%	0.422	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128	169.1	170.9	-82.7	0	0	0	109.9	E248 K249 V250	N246-E248 PolarHBondContact O-N 2.94Å; N246-E248 PolarHBondContact OD1-N 2.99Å; N246-K249 HydrophobicContact CB-CB 4.37Å; N246-K249 HydrophobicContact CB-CD 4.31Å; N246-K249 HydrophobicContact CB-CG 4.39Å; N246-K249 PolarHBondContact O-N 3.16Å; N246-K249 PolarHBondContact OD1-N 2.96Å; N246-V250 WeakPolarHBondContact O-CG2 3.45Å; N246-V250 PolarHBondContact O-N 2.91Å
247	A	94.5	Very high	92.8	Very high	12 Å²	12	67.9 Å²	67.9	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-40.8	-171.2	0	0	0	0	0	113.8	I52 L55 I226 T228 V250 A251	I52-A247 HydrophobicContact CG1-CB 4.24Å; L55-A247 HydrophobicContact CD1-CB 3.42Å; L55-A247 VanDerWaalsContact CD1-CB 3.42Å; I226-A247 HydrophobicContact CG2-CB 3.97Å; T228-A247 HydrophobicContact CG2-CB 3.56Å; A247-V250 PolarHBondContact O-N 3.45Å; A247-A251 PolarHBondContact O-N 3.16Å
248	E	95.4	Very high	93.4	Very high	113 Å²	113	62.6 Å²	62.6	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-44.8	178.3	-62.9	175.2	-174.2	0	0	111.3	L55 N246 V250 A251 K252	L55-E248 HydrophobicContact CD1-CG 4.33Å; L55-E248 HydrophobicContact CD2-CG 4.12Å; N246-E248 PolarHBondContact O-N 2.94Å; N246-E248 PolarHBondContact OD1-N 2.99Å; E248-V250 VanDerWaalsContact C-N 3.27Å; E248-V250 PolarHBondContact O-N 3.43Å; E248-A251 PolarHBondContact O-N 2.82Å; E248-K252 WeakPolarHBondContact O-CG 3.39Å; E248-K252 PolarHBondContact O-N 3.1Å
249	K	96.4	Very high	93.9	Very high	148 Å²	148	58.2 Å²	58.2	64%	0.643	28%	0.276	S	S	*	.	H	α-helix	trans	-62.7	-35.6	176	-69.9	-176.6	-176.6	178.6	0	111.8	N246 K253	N246-K249 HydrophobicContact CB-CB 4.37Å; N246-K249 HydrophobicContact CB-CD 4.31Å; N246-K249 HydrophobicContact CB-CG 4.39Å; N246-K249 PolarHBondContact O-N 3.16Å; N246-K249 PolarHBondContact OD1-N 2.96Å; K249-K253 WeakPolarHBondContact O-CG 3.3Å; K249-K253 PolarHBondContact O-N 3.08Å; K249-K253 VanDerWaalsContact O-N 3.16Å
250	V	97.3	Very high	94.5	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-48.8	175.8	173	0	0	0	0	110.6	I52 I226 L245 N246 A247 E248 K252 K253 I254 L267	I52-V250 HydrophobicContact CD1-CB 3.9Å; I52-V250 HydrophobicContact CD1-CG1 3.52Å; I226-V250 HydrophobicContact CD1-CG1 4.25Å; I226-V250 HydrophobicContact CG2-CG2 4.35Å; L245-V250 HydrophobicContact CB-CG2 3.6Å; L245-V250 HydrophobicContact CD1-CG2 3.94Å; L245-V250 HydrophobicContact CG-CG2 4.34Å; N246-V250 WeakPolarHBondContact O-CG2 3.45Å; N246-V250 PolarHBondContact O-N 2.91Å; A247-V250 PolarHBondContact O-N 3.45Å; E248-V250 VanDerWaalsContact C-N 3.27Å; E248-V250 PolarHBondContact O-N 3.43Å; V250-K252 VanDerWaalsContact C-N 3.33Å; V250-K252 PolarHBondContact O-N 3.34Å; V250-K253 PolarHBondContact O-N 2.94Å; V250-I254 HydrophobicContact CG1-CD1 3.7Å; V250-I254 HydrophobicContact CG1-CG1 4.21Å; V250-I254 WeakPolarHBondContact O-CG1 3.45Å; V250-I254 PolarHBondContact O-N 2.9Å; V250-L267 HydrophobicContact CB-CD1 4.46Å; V250-L267 HydrophobicContact CG1-CD1 3.98Å; V250-L267 HydrophobicContact CG2-CD1 4.21Å
251	A	98.1	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-47.7	177.8	0	0	0	0	0	111.6	L55 M56 E59 A247 E248 K253 I254 I255	L55-A251 HydrophobicContact CB-CB 3.64Å; M56-A251 HydrophobicContact CG-CB 4.18Å; E59-A251 HydrophobicContact CG-CB 4.07Å; A247-A251 PolarHBondContact O-N 3.16Å; E248-A251 PolarHBondContact O-N 2.82Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.14Å; A251-I254 WeakPolarHBondContact O-CB 3.45Å; A251-I254 PolarHBondContact O-N 3.01Å; A251-I254 VanDerWaalsContact O-N 3.11Å; A251-I255 WeakPolarHBondContact O-CG1 3.45Å; A251-I255 PolarHBondContact O-N 3Å
252	K	98	Very high	95.8	Very high	112 Å²	112	43.5 Å²	43.5	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-55.6	-42.9	174.4	-75.3	176.3	-179.3	179.3	0	113.3	E59 E248 V250 H256	E59-K252 HydrophobicContact CG-CG 4.22Å; E59-K252 WeakPolarHBondContact OE1-CE 3.38Å; E59-K252 VanDerWaalsContact OE1-CG 3.3Å; E59-K252 WeakPolarHBondContact OE1-CG 3.42Å; E59-K252 WeakPolarHBondContact OE2-CG 3.33Å; E248-K252 WeakPolarHBondContact O-CG 3.39Å; E248-K252 PolarHBondContact O-N 3.1Å; V250-K252 VanDerWaalsContact C-N 3.33Å; V250-K252 PolarHBondContact O-N 3.34Å; K252-H256 WeakPolarHBondContact O-CB 3.46Å; K252-H256 PolarHBondContact O-N 3.48Å
253	K	98	Very high	96.2	Very high	99 Å²	99	46.1 Å²	46.1	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-69.4	-36.1	177.8	-75.9	-170.7	180	-172.6	0	112.5	K249 V250 A251 H256 A257 L265 L267	K249-K253 WeakPolarHBondContact O-CG 3.3Å; K249-K253 PolarHBondContact O-N 3.08Å; K249-K253 VanDerWaalsContact O-N 3.16Å; V250-K253 PolarHBondContact O-N 2.94Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.14Å; K253-H256 WeakPolarHBondContact O-CB 3.07Å; K253-H256 PolarHBondContact O-N 3.4Å; K253-A257 PolarHBondContact O-N 2.91Å; K253-L265 HydrophobicContact CB-CD2 4.24Å; K253-L265 WeakPolarHBondContact O-CD2 3.24Å; K253-L267 HydrophobicContact CB-CD1 4.19Å; K253-L267 HydrophobicContact CD-CD1 4.26Å; K253-L267 HydrophobicContact CD-CD2 3.51Å
254	I	98.5	Very high	96.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-50.1	174.6	-66.4	167.1	0	0	0	109.7	I52 M56 I175 V221 V250 A251 H256 A257 V258 L265	I52-I254 HydrophobicContact CG2-CD1 4.21Å; M56-I254 HydrophobicContact CG-CD1 4.48Å; M56-I254 HydrophobicContact SD-CB 4.32Å; M56-I254 HydrophobicContact SD-CD1 3.8Å; M56-I254 HydrophobicContact SD-CG2 3.75Å; I175-I254 HydrophobicContact CD1-CD1 4.06Å; I175-I254 HydrophobicContact CD1-CG2 4.19Å; V221-I254 HydrophobicContact CG1-CD1 4.03Å; V221-I254 HydrophobicContact CG1-CG1 3.7Å; V221-I254 HydrophobicContact CG2-CG1 4.16Å; V221-I254 HydrophobicContact CG2-CG2 4.16Å; V250-I254 HydrophobicContact CG1-CD1 3.7Å; V250-I254 HydrophobicContact CG1-CG1 4.21Å; V250-I254 WeakPolarHBondContact O-CG1 3.45Å; V250-I254 PolarHBondContact O-N 2.9Å; A251-I254 WeakPolarHBondContact O-CB 3.45Å; A251-I254 PolarHBondContact O-N 3.01Å; A251-I254 VanDerWaalsContact O-N 3.11Å; I254-H256 VanDerWaalsContact C-N 3.28Å; I254-H256 PolarHBondContact O-N 2.83Å; I254-A257 WeakPolarHBondContact O-CB 3.22Å; I254-A257 PolarHBondContact O-N 3.45Å; I254-A257 VanDerWaalsContact O-N 3.12Å; I254-V258 HydrophobicContact CG2-CG2 4.5Å; I254-V258 WeakPolarHBondContact O-CG2 3.46Å; I254-V258 PolarHBondContact O-N 2.97Å; I254-L265 HydrophobicContact CG1-CD2 4.1Å
255	I	98.4	Very high	97	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-40.2	178.1	-55.8	-39.2	0	0	0	110.5	M56 E59 F60 A251 A257 V258 L259	M56-I255 HydrophobicContact CB-CD1 4.39Å; M56-I255 HydrophobicContact CG-CD1 4.44Å; E59-I255 HydrophobicContact CB-CB 4.4Å; E59-I255 HydrophobicContact CB-CD1 4.43Å; E59-I255 HydrophobicContact CB-CG1 3.43Å; E59-I255 VanDerWaalsContact CB-CG1 3.43Å; E59-I255 HydrophobicContact CG-CG1 4.37Å; F60-I255 HydrophobicContact CD1-CD1 4.11Å; F60-I255 HydrophobicContact CD2-CD1 3.43Å; F60-I255 VanDerWaalsContact CD2-CD1 3.43Å; F60-I255 HydrophobicContact CE1-CD1 3.9Å; F60-I255 HydrophobicContact CE2-CD1 3.17Å; F60-I255 HydrophobicContact CG-CD1 3.9Å; F60-I255 HydrophobicContact CZ-CD1 3.44Å; F60-I255 VanDerWaalsContact CZ-CD1 3.44Å; A251-I255 WeakPolarHBondContact O-CG1 3.45Å; A251-I255 PolarHBondContact O-N 3Å; I255-A257 PolarHBondContact O-N 3.35Å; I255-V258 WeakPolarHBondContact O-CB 3.22Å; I255-V258 PolarHBondContact O-N 3.22Å; I255-L259 HydrophobicContact CG2-CD1 4.01Å; I255-L259 HydrophobicContact CG2-CG 4.14Å; I255-L259 WeakPolarHBondContact O-CB 3.41Å; I255-L259 VanDerWaalsContact O-CG 3.23Å; I255-L259 WeakPolarHBondContact O-CG 3.31Å; I255-L259 PolarHBondContact O-N 3.3Å
256	H	98.1	Very high	97.2	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.366	21%	0.214	S	C	.	.	H	α-helix	trans	-57.8	-44.2	173.6	-176	83.6	0	0	0	113.2	K252 K253 I254 L259 T260	K252-H256 WeakPolarHBondContact O-CB 3.46Å; K252-H256 PolarHBondContact O-N 3.48Å; K253-H256 WeakPolarHBondContact O-CB 3.07Å; K253-H256 PolarHBondContact O-N 3.4Å; I254-H256 VanDerWaalsContact C-N 3.28Å; I254-H256 PolarHBondContact O-N 2.83Å; H256-L259 PolarHBondContact O-N 2.98Å; H256-T260 WeakPolarHBondContact O-CB 3.47Å; H256-T260 WeakPolarHBondContact O-CG2 3.16Å; H256-T260 PolarHBondContact O-N 3.06Å; H256-T260 VanDerWaalsContact O-N 3.08Å; H256-T260 PolarHBondContact O-OG1 3.28Å
257	A	98.3	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-42.6	174.8	0	0	0	0	0	111.7	T219 K253 I254 I255 L259 T260 D261 Q262 L265	T219-A257 HydrophobicContact CG2-CB 4.15Å; K253-A257 PolarHBondContact O-N 2.91Å; I254-A257 WeakPolarHBondContact O-CB 3.22Å; I254-A257 PolarHBondContact O-N 3.45Å; I254-A257 VanDerWaalsContact O-N 3.12Å; I255-A257 PolarHBondContact O-N 3.35Å; A257-L259 VanDerWaalsContact C-N 3.34Å; A257-L259 PolarHBondContact O-N 2.76Å; A257-T260 CarbonylContact O-C 3.51Å; A257-T260 PolarHBondContact O-N 2.86Å; A257-T260 PolarHBondContact O-OG1 3.31Å; A257-D261 PolarHBondContact O-N 2.77Å; A257-Q262 HydrophobicContact CB-CB 3.87Å; A257-Q262 HydrophobicContact CB-CG 4.4Å; A257-Q262 PolarHBondContact O-N 2.88Å; A257-L265 HydrophobicContact CB-CB 4.17Å; A257-L265 HydrophobicContact CB-CD2 3.76Å; A257-L265 HydrophobicContact CB-CG 4.43Å
258	V	98.6	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-42.4	175.7	171.4	0	0	0	0	111.6	K36 F60 I121 H171 V173 I254 I255 T260	K36-V258 VanDerWaalsContact CE-O 3.27Å; K36-V258 WeakPolarHBondContact CE-O 3.26Å; F60-V258 HydrophobicContact CE1-CG1 4.11Å; F60-V258 HydrophobicContact CZ-CG1 4.18Å; F60-V258 HydrophobicContact CZ-CG2 4.46Å; I121-V258 HydrophobicContact CD1-CG1 4.31Å; H171-V258 PolarHBondContact CE1-O 2.97Å; H171-V258 VanDerWaalsContact CE1-O 3.23Å; H171-V258 PolarHBondContact ND1-O 3.28Å; V173-V258 HydrophobicContact CG1-CG2 4.24Å; V173-V258 HydrophobicContact CG2-CG2 3.65Å; I254-V258 HydrophobicContact CG2-CG2 4.5Å; I254-V258 WeakPolarHBondContact O-CG2 3.46Å; I254-V258 PolarHBondContact O-N 2.97Å; I255-V258 WeakPolarHBondContact O-CB 3.22Å; I255-V258 PolarHBondContact O-N 3.22Å; V258-T260 VanDerWaalsContact C-N 3.26Å; V258-T260 PolarHBondContact O-N 3.1Å
259	L	98.5	Very high	97	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-23	179.1	-67.6	173.1	0	0	0	112.9	K35 K36 I38 I255 H256 A257	K35-L259 CarbonylContact C-O 3.52Å; K35-L259 VanDerWaalsContact CA-O 3.27Å; K35-L259 WeakPolarHBondContact CA-O 3.38Å; K35-L259 HydrophobicContact CB-CB 4.1Å; K35-L259 HydrophobicContact CD-CD1 4.2Å; K35-L259 HydrophobicContact CG-CB 4.11Å; K36-L259 PolarHBondContact N-O 3.49Å; K36-L259 WeakPolarHBondContact O-CD2 3.15Å; I38-L259 HydrophobicContact CD1-CD2 3.74Å; I38-L259 HydrophobicContact CG1-CD2 3.87Å; I38-L259 HydrophobicContact CG2-CD2 3.93Å; I255-L259 HydrophobicContact CG2-CD1 4.01Å; I255-L259 HydrophobicContact CG2-CG 4.14Å; I255-L259 WeakPolarHBondContact O-CB 3.41Å; I255-L259 VanDerWaalsContact O-CG 3.23Å; I255-L259 WeakPolarHBondContact O-CG 3.31Å; I255-L259 PolarHBondContact O-N 3.3Å; H256-L259 PolarHBondContact O-N 2.98Å; A257-L259 VanDerWaalsContact C-N 3.34Å; A257-L259 PolarHBondContact O-N 2.76Å
260	T	97.5	Very high	96.8	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	12.9	-176.5	55.9	0	0	0	0	112.9	R33 K35 H256 A257 V258 Q262	R33-T260 HydrophobicContact CB-CG2 3.78Å; K35-T260 HydrophobicContact CG-CG2 4.04Å; H256-T260 WeakPolarHBondContact O-CB 3.47Å; H256-T260 WeakPolarHBondContact O-CG2 3.16Å; H256-T260 PolarHBondContact O-N 3.06Å; H256-T260 VanDerWaalsContact O-N 3.08Å; H256-T260 PolarHBondContact O-OG1 3.28Å; A257-T260 CarbonylContact O-C 3.51Å; A257-T260 PolarHBondContact O-N 2.86Å; A257-T260 PolarHBondContact O-OG1 3.31Å; V258-T260 VanDerWaalsContact C-N 3.26Å; V258-T260 PolarHBondContact O-N 3.1Å; T260-Q262 PolarHBondContact O-N 3.13Å; T260-Q262 VanDerWaalsContact O-N 3.15Å
261	D	97.2	Very high	96.6	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	40.4	-178.4	-59.2	-34	0	0	0	112.4	K36 H171 K217 A257 V263	K36-D261 WeakPolarHBondContact CE-OD1 3.43Å; K36-D261 IonicContact NZ-OD1 2.75Å; K36-D261 PolarHBondContact NZ-OD1 2.93Å; H171-D261 IonicContact CE1-OD1 3.94Å; H171-D261 IonicContact ND1-OD1 3.91Å; K217-D261 HydrophobicContact CD-CB 4.36Å; K217-D261 HydrophobicContact CG-CB 4.33Å; A257-D261 PolarHBondContact O-N 2.77Å; D261-V263 PolarHBondContact O-N 2.91Å
262	Q	96.3	Very high	96.3	Very high	48 Å²	48	42.9 Å²	42.9	22%	0.224	20%	0.2	C	C	.	.			trans	-77.8	111.6	-179.6	178.2	-180	-5.5	0	0	110.3	T219 A257 T260 Y264	T219-Q262 WeakPolarHBondContact CG2-O 3.42Å; T219-Q262 PolarHBondContact OG1-O 2.82Å; T219-Q262 VanDerWaalsContact OG1-O 3.12Å; A257-Q262 HydrophobicContact CB-CB 3.87Å; A257-Q262 HydrophobicContact CB-CG 4.4Å; A257-Q262 PolarHBondContact O-N 2.88Å; T260-Q262 PolarHBondContact O-N 3.13Å; T260-Q262 VanDerWaalsContact O-N 3.15Å; Q262-Y264 WeakPolarHBondContact CG-O 3.37Å; Q262-Y264 PolarHBondContact NE2-O 3.02Å; Q262-Y264 PolarHBondContact O-N 3.02Å
263	V	96.4	Very high	96	Very high	69 Å²	69	44 Å²	44	42%	0.418	21%	0.205	S	C	.	.	S	Bend	trans	-61.5	-43.7	-176.8	-176.6	0	0	0	0	113.4	T218 T219 I220 D261	T218-V263 WeakPolarHBondContact O-CA 3.17Å; T219-V263 CarbonylContact C-O 3.5Å; I220-V263 PolarHBondContact N-O 3.25Å; D261-V263 PolarHBondContact O-N 2.91Å
264	Y	96.9	Very high	95.6	Very high	87 Å²	87	41 Å²	41	34%	0.341	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.7	178.1	-70.8	-87.7	0	0	0	111.6	E202 I220 Q262 L266 Y272	E202-Y264 HydrophobicContact CG-CE1 4.39Å; E202-Y264 WeakPolarHBondContact CG-OH 3.34Å; E202-Y264 VanDerWaalsContact OE1-CE1 3.3Å; E202-Y264 WeakPolarHBondContact OE1-CE1 3.31Å; E202-Y264 VanDerWaalsContact OE1-CZ 3.29Å; E202-Y264 PolarHBondContact OE1-OH 3.46Å; I220-Y264 HydrophobicContact CB-CD1 4.16Å; I220-Y264 HydrophobicContact CB-CE1 4.36Å; I220-Y264 HydrophobicContact CD1-CE1 4Å; I220-Y264 HydrophobicContact CG2-CD1 4.47Å; I220-Y264 WeakPolarHBondContact O-CA 3.39Å; Q262-Y264 WeakPolarHBondContact CG-O 3.37Å; Q262-Y264 PolarHBondContact NE2-O 3.02Å; Q262-Y264 PolarHBondContact O-N 3.02Å; Y264-L266 HydrophobicContact CD1-CD1 4.44Å; Y264-Y272 PolarHBondContact O-OH 2.93Å
265	L	97.4	Very high	95.2	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	99.7	170.7	177.4	61.2	0	0	0	110.3	I220 V221 C222 K253 I254 A257 L267	I220-L265 PolarHBondContact O-N 2.95Å; V221-L265 WeakPolarHBondContact CA-O 3.44Å; V221-L265 HydrophobicContact CG1-CB 4.36Å; V221-L265 HydrophobicContact CG1-CD2 4.05Å; V221-L265 HydrophobicContact CG1-CG 4.26Å; C222-L265 PolarHBondContact N-O 3.19Å; K253-L265 HydrophobicContact CB-CD2 4.24Å; K253-L265 WeakPolarHBondContact O-CD2 3.24Å; I254-L265 HydrophobicContact CG1-CD2 4.1Å; A257-L265 HydrophobicContact CB-CB 4.17Å; A257-L265 HydrophobicContact CB-CD2 3.76Å; A257-L265 HydrophobicContact CB-CG 4.43Å; L265-L267 HydrophobicContact CD1-CD1 4.49Å; L265-L267 HydrophobicContact CD1-CD2 3.96Å; L265-L267 HydrophobicContact CD1-CG 4.1Å; L265-L267 HydrophobicContact CD2-CD1 4.17Å; L265-L267 HydrophobicContact CG-CD1 4.2Å; L265-L267 HydrophobicContact CG-CD2 4.48Å; L265-L267 HydrophobicContact CG-CG 4.07Å
266	L	96.9	Very high	94.9	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.058	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.5	172.5	-76.3	58.7	0	0	0	110	L181 C222 Y264 M271 Y272	L181-L266 HydrophobicContact CD1-CD1 4.21Å; L181-L266 HydrophobicContact CD1-CD2 3.66Å; L181-L266 HydrophobicContact CD1-CG 3.85Å; C222-L266 HydrophobicContact CB-CD1 4.11Å; C222-L266 HydrophobicContact CB-CG 3.98Å; Y264-L266 HydrophobicContact CD1-CD1 4.44Å; L266-M271 HydrophobicContact CB-CB 4.04Å; L266-M271 HydrophobicContact CD2-CB 4.22Å; L266-Y272 HydrophobicContact CB-CD1 4.43Å; L266-Y272 HydrophobicContact CB-CD2 3.81Å; L266-Y272 HydrophobicContact CB-CE1 4.18Å; L266-Y272 HydrophobicContact CB-CE2 3.53Å; L266-Y272 HydrophobicContact CB-CG 4.25Å; L266-Y272 HydrophobicContact CD1-CD1 4.5Å; L266-Y272 HydrophobicContact CD1-CE1 3.93Å; L266-Y272 HydrophobicContact CD2-CD1 3.92Å; L266-Y272 HydrophobicContact CD2-CD2 4.45Å; L266-Y272 HydrophobicContact CD2-CE1 4.18Å; L266-Y272 HydrophobicContact CD2-CG 4.06Å; L266-Y272 HydrophobicContact CG-CE1 4.32Å; L266-Y272 HydrophobicContact CG-CE2 4.5Å; L266-Y272 PolarHBondContact N-OH 2.81Å; L266-Y272 VanDerWaalsContact N-OH 3.07Å
267	L	94.9	Very high	94.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.3	-179.8	-63.4	173.6	0	0	0	110	C222 P223 Y224 L245 V250 K253 L265	C222-L267 PolarHBondContact O-N 3.49Å; P223-L267 CarbonylContact C-O 3.57Å; P223-L267 WeakPolarHBondContact CA-O 3.49Å; P223-L267 HydrophobicContact CB-CB 4.46Å; Y224-L267 WeakPolarHBondContact CB-O 3.5Å; Y224-L267 PolarHBondContact N-O 3.18Å; L245-L267 HydrophobicContact CD1-CB 3.7Å; V250-L267 HydrophobicContact CB-CD1 4.46Å; V250-L267 HydrophobicContact CG1-CD1 3.98Å; V250-L267 HydrophobicContact CG2-CD1 4.21Å; K253-L267 HydrophobicContact CB-CD1 4.19Å; K253-L267 HydrophobicContact CD-CD1 4.26Å; K253-L267 HydrophobicContact CD-CD2 3.51Å; L265-L267 HydrophobicContact CD1-CD1 4.49Å; L265-L267 HydrophobicContact CD1-CD2 3.96Å; L265-L267 HydrophobicContact CD1-CG 4.1Å; L265-L267 HydrophobicContact CD2-CD1 4.17Å; L265-L267 HydrophobicContact CG-CD1 4.2Å; L265-L267 HydrophobicContact CG-CD2 4.48Å; L265-L267 HydrophobicContact CG-CG 4.07Å
268	P	94.3	Very high	93.9	Very high	17 Å²	17	47.4 Å²	47.4	11%	0.11	23%	0.233	C	C	.	.	S	Bend	cis	-64.6	167.3	-10.6	31.1	-37.9	0	0	0	112.5	L242 P243 L245 S270 M271	L242-P268 HydrophobicContact CD2-CG 4.37Å; P243-P268 HydrophobicContact CG-CB 4.34Å; L245-P268 HydrophobicContact CD2-CB 4.34Å; P268-S270 VanDerWaalsContact CG-OG 3.28Å; P268-S270 WeakPolarHBondContact CG-OG 3.35Å; P268-S270 PolarHBondContact O-N 2.96Å; P268-S270 VanDerWaalsContact O-N 3.11Å; P268-M271 HydrophobicContact CG-CG 4.23Å; P268-M271 VanDerWaalsContact O-CB 3.24Å; P268-M271 WeakPolarHBondContact O-CB 3.37Å; P268-M271 WeakPolarHBondContact O-CG 3.48Å; P268-M271 PolarHBondContact O-N 3.34Å
269	K	91.6	Very high	93.4	Very high	168 Å²	168	53.3 Å²	53.3	73%	0.73	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.5	-179.5	-74.6	-174.1	174.2	-173.8	0	113.6	M271 Y272	K269-M271 PolarHBondContact O-N 2.76Å; K269-M271 VanDerWaalsContact O-N 3.16Å; K269-Y272 WeakPolarHBondContact O-CD2 3.29Å; K269-Y272 PolarHBondContact O-N 2.82Å
270	S	91.1	Very high	93.1	Very high	27 Å²	27	59.2 Å²	59.2	19%	0.189	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-23.3	173	46.2	0	0	0	0	112.9	L241 P268 Y272 F273 I274	L241-S270 PolarHBondContact O-OG 3Å; P268-S270 VanDerWaalsContact CG-OG 3.28Å; P268-S270 WeakPolarHBondContact CG-OG 3.35Å; P268-S270 PolarHBondContact O-N 2.96Å; P268-S270 VanDerWaalsContact O-N 3.11Å; S270-Y272 VanDerWaalsContact C-N 3.29Å; S270-Y272 PolarHBondContact O-N 3.38Å; S270-F273 PolarHBondContact O-N 3.5Å; S270-I274 WeakPolarHBondContact O-CG1 3.08Å; S270-I274 PolarHBondContact O-N 3.34Å
271	M	92.6	Very high	92.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-29.5	176.5	-68.9	-55.5	-47.6	0	0	113.7	I182 Y224 L242 L266 P268 K269 F273 I274 T275	I182-M271 HydrophobicContact CD1-CE 3.83Å; I182-M271 HydrophobicContact CG1-CE 4.42Å; Y224-M271 HydrophobicContact CD2-SD 4.46Å; L242-M271 HydrophobicContact CD2-SD 3.85Å; L266-M271 HydrophobicContact CB-CB 4.04Å; L266-M271 HydrophobicContact CD2-CB 4.22Å; P268-M271 HydrophobicContact CG-CG 4.23Å; P268-M271 VanDerWaalsContact O-CB 3.24Å; P268-M271 WeakPolarHBondContact O-CB 3.37Å; P268-M271 WeakPolarHBondContact O-CG 3.48Å; P268-M271 PolarHBondContact O-N 3.34Å; K269-M271 PolarHBondContact O-N 2.76Å; K269-M271 VanDerWaalsContact O-N 3.16Å; M271-F273 VanDerWaalsContact C-N 3.31Å; M271-F273 PolarHBondContact O-N 3.3Å; M271-I274 HydrophobicContact CE-CG2 4.42Å; M271-I274 PolarHBondContact O-N 2.98Å; M271-I274 HydrophobicContact SD-CD1 4.22Å; M271-T275 WeakPolarHBondContact O-CB 3.41Å; M271-T275 PolarHBondContact O-N 3.47Å; M271-T275 PolarHBondContact O-OG1 3.47Å
272	Y	92.4	Very high	92.7	Very high	97 Å²	97	62.3 Å²	62.3	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-45.7	173.5	-74.4	-84.6	0	0	0	110.8	Y264 L266 K269 S270 A276	Y264-Y272 PolarHBondContact O-OH 2.93Å; L266-Y272 HydrophobicContact CB-CD1 4.43Å; L266-Y272 HydrophobicContact CB-CD2 3.81Å; L266-Y272 HydrophobicContact CB-CE1 4.18Å; L266-Y272 HydrophobicContact CB-CE2 3.53Å; L266-Y272 HydrophobicContact CB-CG 4.25Å; L266-Y272 HydrophobicContact CD1-CD1 4.5Å; L266-Y272 HydrophobicContact CD1-CE1 3.93Å; L266-Y272 HydrophobicContact CD2-CD1 3.92Å; L266-Y272 HydrophobicContact CD2-CD2 4.45Å; L266-Y272 HydrophobicContact CD2-CE1 4.18Å; L266-Y272 HydrophobicContact CD2-CG 4.06Å; L266-Y272 HydrophobicContact CG-CE1 4.32Å; L266-Y272 HydrophobicContact CG-CE2 4.5Å; L266-Y272 PolarHBondContact N-OH 2.81Å; L266-Y272 VanDerWaalsContact N-OH 3.07Å; K269-Y272 WeakPolarHBondContact O-CD2 3.29Å; K269-Y272 PolarHBondContact O-N 2.82Å; S270-Y272 VanDerWaalsContact C-N 3.29Å; S270-Y272 PolarHBondContact O-N 3.38Å; Y272-A276 PolarHBondContact O-N 3.46Å
273	F	91.6	Very high	92.4	Very high	136 Å²	136	66.9 Å²	66.9	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-69.7	-43.5	179.7	-178	-110.6	0	0	0	112.1	S270 M271 T275 A276 L277	S270-F273 PolarHBondContact O-N 3.5Å; M271-F273 VanDerWaalsContact C-N 3.31Å; M271-F273 PolarHBondContact O-N 3.3Å; F273-T275 PolarHBondContact O-N 2.95Å; F273-A276 PolarHBondContact O-N 3.27Å; F273-L277 HydrophobicContact CD1-CD1 3.85Å; F273-L277 HydrophobicContact CD1-CG 4.29Å; F273-L277 HydrophobicContact CE1-CD1 3.27Å; F273-L277 HydrophobicContact CE1-CG 3.91Å; F273-L277 HydrophobicContact CE2-CD1 4.39Å; F273-L277 HydrophobicContact CE2-CD2 4.27Å; F273-L277 HydrophobicContact CE2-CG 4.17Å; F273-L277 HydrophobicContact CZ-CD1 3.59Å; F273-L277 HydrophobicContact CZ-CD2 3.99Å; F273-L277 HydrophobicContact CZ-CG 3.84Å; F273-L277 WeakPolarHBondContact O-CG 3.36Å; F273-L277 PolarHBondContact O-N 3.46Å
274	I	90.1	Very high	92.2	Very high	36 Å²	36	72.4 Å²	72.4	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-43.8	179.8	-68.9	167.8	0	0	0	111.3	L242 S270 M271 A276 L277 K278	L242-I274 HydrophobicContact CD1-CD1 4.4Å; L242-I274 HydrophobicContact CD2-CD1 3.7Å; L242-I274 HydrophobicContact CG-CD1 4.33Å; S270-I274 WeakPolarHBondContact O-CG1 3.08Å; S270-I274 PolarHBondContact O-N 3.34Å; M271-I274 HydrophobicContact CE-CG2 4.42Å; M271-I274 PolarHBondContact O-N 2.98Å; M271-I274 HydrophobicContact SD-CD1 4.22Å; I274-A276 VanDerWaalsContact C-N 3.33Å; I274-A276 PolarHBondContact O-N 3.3Å; I274-L277 PolarHBondContact O-N 2.89Å; I274-K278 PolarHBondContact O-N 2.91Å
275	T	90.1	Very high	91.9	Very high	23 Å²	23	72.7 Å²	72.7	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-36.3	177.8	-57.6	0	0	0	0	111.7	L181 M271 F273 N279	L181-T275 HydrophobicContact CB-CG2 4.1Å; L181-T275 HydrophobicContact CD1-CG2 4.41Å; M271-T275 WeakPolarHBondContact O-CB 3.41Å; M271-T275 PolarHBondContact O-N 3.47Å; M271-T275 PolarHBondContact O-OG1 3.47Å; F273-T275 PolarHBondContact O-N 2.95Å; T275-N279 PolarHBondContact O-ND2 3.38Å
276	A	91.5	Very high	91.5	Very high	46 Å²	46	73.6 Å²	73.6	38%	0.38	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-48.1	173.1	0	0	0	0	0	111.4	Y272 F273 I274 K278 N279 I280	Y272-A276 PolarHBondContact O-N 3.46Å; F273-A276 PolarHBondContact O-N 3.27Å; I274-A276 VanDerWaalsContact C-N 3.33Å; I274-A276 PolarHBondContact O-N 3.3Å; A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 2.85Å; A276-N279 PolarHBondContact O-N 3.5Å; A276-N279 VanDerWaalsContact O-N 3.15Å; A276-I280 WeakPolarHBondContact O-CG1 3.48Å
277	L	89.4	Confident	91.2	Very high	46 Å²	46	76.2 Å²	76.2	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-39.1	178.2	-76.7	-175.1	0	0	0	112.8	F273 I274 N279 I280 L281	F273-L277 HydrophobicContact CD1-CD1 3.85Å; F273-L277 HydrophobicContact CD1-CG 4.29Å; F273-L277 HydrophobicContact CE1-CD1 3.27Å; F273-L277 HydrophobicContact CE1-CG 3.91Å; F273-L277 HydrophobicContact CE2-CD1 4.39Å; F273-L277 HydrophobicContact CE2-CD2 4.27Å; F273-L277 HydrophobicContact CE2-CG 4.17Å; F273-L277 HydrophobicContact CZ-CD1 3.59Å; F273-L277 HydrophobicContact CZ-CD2 3.99Å; F273-L277 HydrophobicContact CZ-CG 3.84Å; F273-L277 WeakPolarHBondContact O-CG 3.36Å; F273-L277 PolarHBondContact O-N 3.46Å; I274-L277 PolarHBondContact O-N 2.89Å; L277-N279 PolarHBondContact O-N 2.94Å; L277-N279 VanDerWaalsContact O-N 3.13Å; L277-I280 PolarHBondContact O-N 3.3Å; L277-I280 VanDerWaalsContact O-N 3.07Å; L277-L281 HydrophobicContact CB-CD1 3.95Å; L277-L281 HydrophobicContact CB-CG 4.22Å; L277-L281 HydrophobicContact CD1-CD1 4.28Å; L277-L281 HydrophobicContact CD2-CD1 4.16Å; L277-L281 HydrophobicContact CD2-CD2 4.28Å; L277-L281 HydrophobicContact CD2-CG 4.14Å; L277-L281 HydrophobicContact CG-CD1 4.37Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.25Å; L277-L281 PolarHBondContact O-N 2.98Å
278	K	87	Confident	91	Very high	101 Å²	101	81.2 Å²	81.2	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-51.8	-37.4	177.5	171.7	-175.1	159	-170	0	112.5	L181 I182 I274 A276	L181-K278 PolarHBondContact O-NZ 3.05Å; I182-K278 HydrophobicContact CB-CD 4.41Å; I182-K278 HydrophobicContact CG2-CD 3.68Å; I274-K278 PolarHBondContact O-N 2.91Å; A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 2.85Å
279	N	88.1	Confident	90.7	Very high	124 Å²	124	83.5 Å²	83.5	66%	0.663	42%	0.424	S	S	*	.	H	α-helix	trans	-88.8	-10.5	-175.3	-65.4	-64.8	0	0	0	113.6	T275 A276 L277	T275-N279 PolarHBondContact O-ND2 3.38Å; A276-N279 PolarHBondContact O-N 3.5Å; A276-N279 VanDerWaalsContact O-N 3.15Å; L277-N279 PolarHBondContact O-N 2.94Å; L277-N279 VanDerWaalsContact O-N 3.13Å
280	I	92.1	Very high	90.5	Very high	129 Å²	129	76.2 Å²	76.2	66%	0.662	40%	0.396	S	S	*	.	H	α-helix	trans	-107.6	-37.8	-176.3	-61.4	169	0	0	0	111	A276 L277	A276-I280 WeakPolarHBondContact O-CG1 3.48Å; L277-I280 PolarHBondContact O-N 3.3Å; L277-I280 VanDerWaalsContact O-N 3.07Å
281	L	90.8	Very high	90.5	Very high	40 Å²	40	80.2 Å²	80.2	21%	0.209	41%	0.412	C	S	.	.	S	Bend	trans	-77.6	143	-173.2	-63.5	-177.1	0	0	0	112.1	L277 Q285 L289	L277-L281 HydrophobicContact CB-CD1 3.95Å; L277-L281 HydrophobicContact CB-CG 4.22Å; L277-L281 HydrophobicContact CD1-CD1 4.28Å; L277-L281 HydrophobicContact CD2-CD1 4.16Å; L277-L281 HydrophobicContact CD2-CD2 4.28Å; L277-L281 HydrophobicContact CD2-CG 4.14Å; L277-L281 HydrophobicContact CG-CD1 4.37Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.25Å; L277-L281 PolarHBondContact O-N 2.98Å; L281-Q285 HydrophobicContact CD1-CG 4.45Å; L281-L289 HydrophobicContact CD1-CD1 3.51Å
282	P	94.1	Very high	90.2	Very high	85 Å²	85	86.5 Å²	86.5	55%	0.552	44%	0.436	S	S	*	.			trans	-57	142.8	167.9	-23.1	33.3	0	0	0	111.7	K284 Q285 G286	P282-K284 VanDerWaalsContact C-N 3.27Å; P282-K284 PolarHBondContact O-N 3.27Å; P282-K284 VanDerWaalsContact O-N 3.13Å; P282-Q285 WeakPolarHBondContact O-CB 3.3Å; P282-Q285 PolarHBondContact O-N 3.04Å; P282-G286 PolarHBondContact O-N 3Å
283	M	90.2	Very high	90	Very high	145 Å²	145	83.5 Å²	83.5	71%	0.714	43%	0.427	S	S	*	.	H	α-helix	trans	-54	-40.5	-174.7	-174.4	59.7	-174.2	0	0	113.5	Q285 G286 I287	M283-Q285 VanDerWaalsContact C-N 3.32Å; M283-Q285 PolarHBondContact O-N 3.28Å; M283-G286 PolarHBondContact O-N 3.38Å; M283-I287 HydrophobicContact CE-CD1 3.91Å; M283-I287 HydrophobicContact CE-CG1 3.82Å; M283-I287 HydrophobicContact CG-CD1 4.08Å; M283-I287 HydrophobicContact CG-CG1 4.47Å; M283-I287 WeakPolarHBondContact O-CG1 3.36Å; M283-I287 PolarHBondContact O-N 3.39Å
284	K	92.6	Very high	89.7	Confident	185 Å²	185	77.3 Å²	77.3	80%	0.804	40%	0.401	S	S	*	.	H	α-helix	trans	-60.2	-40.3	177.5	-70	-176.9	177.9	179.6	0	112.4	P282 I287 L288	P282-K284 VanDerWaalsContact C-N 3.27Å; P282-K284 PolarHBondContact O-N 3.27Å; P282-K284 VanDerWaalsContact O-N 3.13Å; K284-I287 PolarHBondContact O-N 3.31Å; K284-L288 PolarHBondContact O-N 3.47Å
285	Q	91.6	Very high	89.5	Confident	92 Å²	92	77.2 Å²	77.2	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-70.4	-39.4	176.5	-172.1	177.8	8	0	0	111.1	L281 P282 M283 I287 L288 L289	L281-Q285 HydrophobicContact CD1-CG 4.45Å; P282-Q285 WeakPolarHBondContact O-CB 3.3Å; P282-Q285 PolarHBondContact O-N 3.04Å; M283-Q285 VanDerWaalsContact C-N 3.32Å; M283-Q285 PolarHBondContact O-N 3.28Å; Q285-I287 VanDerWaalsContact C-N 3.35Å; Q285-I287 PolarHBondContact O-N 3Å; Q285-L288 PolarHBondContact O-N 3.48Å; Q285-L289 WeakPolarHBondContact O-CG 3.43Å; Q285-L289 PolarHBondContact O-N 3.47Å
286	G	89.2	Confident	89.2	Confident	31 Å²	31	80.4 Å²	80.4	32%	0.32	42%	0.418	S	S	.	.	H	α-helix	trans	-58	-44.8	172.6	0	0	0	0	0	112.6	P282 M283 L289 G290	P282-G286 PolarHBondContact O-N 3Å; M283-G286 PolarHBondContact O-N 3.38Å; G286-L289 PolarHBondContact O-N 3.01Å; G286-G290 PolarHBondContact O-N 2.92Å
287	I	89.2	Confident	89	Confident	67 Å²	67	82.7 Å²	82.7	34%	0.344	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-46.9	175.7	-68.3	166.8	0	0	0	110.9	M283 K284 Q285 L289 G290 Q291 F296	M283-I287 HydrophobicContact CE-CD1 3.91Å; M283-I287 HydrophobicContact CE-CG1 3.82Å; M283-I287 HydrophobicContact CG-CD1 4.08Å; M283-I287 HydrophobicContact CG-CG1 4.47Å; M283-I287 WeakPolarHBondContact O-CG1 3.36Å; M283-I287 PolarHBondContact O-N 3.39Å; K284-I287 PolarHBondContact O-N 3.31Å; Q285-I287 VanDerWaalsContact C-N 3.35Å; Q285-I287 PolarHBondContact O-N 3Å; I287-L289 VanDerWaalsContact C-N 3.34Å; I287-L289 PolarHBondContact O-N 2.88Å; I287-G290 WeakPolarHBondContact O-CA 3.36Å; I287-G290 PolarHBondContact O-N 3.24Å; I287-G290 VanDerWaalsContact O-N 3.13Å; I287-Q291 HydrophobicContact CG2-CG 4.48Å; I287-Q291 WeakPolarHBondContact O-CG 3.48Å; I287-Q291 PolarHBondContact O-N 3.35Å; I287-F296 HydrophobicContact CG2-CZ 4.29Å
288	L	91.7	Very high	88.7	Confident	108 Å²	108	81.1 Å²	81.1	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-57.3	-46.9	177.7	176.6	64.5	0	0	0	111.6	K284 Q285 G290 Q291 Y292	K284-L288 PolarHBondContact O-N 3.47Å; Q285-L288 PolarHBondContact O-N 3.48Å; L288-G290 VanDerWaalsContact C-N 3.35Å; L288-Q291 PolarHBondContact O-N 2.86Å; L288-Y292 WeakPolarHBondContact O-CB 3.35Å; L288-Y292 PolarHBondContact O-N 2.85Å
289	L	88.6	Confident	88.7	Confident	65 Å²	65	77.2 Å²	77.2	34%	0.34	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-40.3	175.7	-70.2	175	0	0	0	111.5	L281 Q285 G286 I287 Q291 Y292 L293	L281-L289 HydrophobicContact CD1-CD1 3.51Å; Q285-L289 WeakPolarHBondContact O-CG 3.43Å; Q285-L289 PolarHBondContact O-N 3.47Å; G286-L289 PolarHBondContact O-N 3.01Å; I287-L289 VanDerWaalsContact C-N 3.34Å; I287-L289 PolarHBondContact O-N 2.88Å; L289-Q291 PolarHBondContact O-N 3.47Å; L289-Y292 WeakPolarHBondContact O-CB 3.25Å; L289-Y292 PolarHBondContact O-N 3.13Å; L289-L293 WeakPolarHBondContact O-CB 3.41Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.32Å; L289-L293 PolarHBondContact O-N 2.89Å
290	G	87.3	Confident	88.5	Confident	15 Å²	15	76 Å²	76	16%	0.155	39%	0.393	C	S	.	.	H	α-helix	trans	-58.4	-45.2	174.4	0	0	0	0	0	112.5	G286 I287 L288 L293 G294 A295	G286-G290 PolarHBondContact O-N 2.92Å; I287-G290 WeakPolarHBondContact O-CA 3.36Å; I287-G290 PolarHBondContact O-N 3.24Å; I287-G290 VanDerWaalsContact O-N 3.13Å; L288-G290 VanDerWaalsContact C-N 3.35Å; G290-L293 PolarHBondContact O-N 3.33Å; G290-G294 PolarHBondContact O-N 3.07Å; G290-A295 WeakPolarHBondContact O-CB 3.46Å; G290-A295 PolarHBondContact O-N 2.71Å
291	Q	89.5	Confident	88	Confident	112 Å²	112	73 Å²	73	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-45.5	174.2	-70.2	178.5	-13.3	0	0	111.3	I287 L288 L289 L293 G294 F296	I287-Q291 HydrophobicContact CG2-CG 4.48Å; I287-Q291 WeakPolarHBondContact O-CG 3.48Å; I287-Q291 PolarHBondContact O-N 3.35Å; L288-Q291 PolarHBondContact O-N 2.86Å; L289-Q291 PolarHBondContact O-N 3.47Å; Q291-L293 VanDerWaalsContact C-N 3.27Å; Q291-L293 PolarHBondContact O-N 3.35Å; Q291-G294 PolarHBondContact O-N 3.13Å; Q291-G294 VanDerWaalsContact O-N 3.13Å; Q291-F296 HydrophobicContact CB-CD2 4.46Å; Q291-F296 HydrophobicContact CB-CE2 4.32Å; Q291-F296 HydrophobicContact CG-CD2 3.76Å; Q291-F296 HydrophobicContact CG-CE2 3.43Å; Q291-F296 VanDerWaalsContact CG-CE2 3.43Å; Q291-F296 HydrophobicContact CG-CZ 4.42Å
292	Y	88	Confident	87.7	Confident	133 Å²	133	73.1 Å²	73.1	52%	0.522	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-41	177.2	178.8	-103.3	0	0	0	111.9	K237 W238 L288 L289 G294	K237-Y292 WeakPolarHBondContact CD-O 3.49Å; K237-Y292 WeakPolarHBondContact CE-O 3.33Å; K237-Y292 PolarHBondContact NZ-O 2.85Å; W238-Y292 HydrophobicContact CZ2-CE1 4.38Å; W238-Y292 AromaticContact CZ2-CE2 4Å; W238-Y292 HydrophobicContact CZ2-CE2 4Å; W238-Y292 AromaticContact CZ2-CZ 3.79Å; W238-Y292 AromaticContact NE1-CD1 3.99Å; W238-Y292 AromaticContact NE1-CE1 3.76Å; W238-Y292 PolarHBondContact NE1-O 3.33Å; L288-Y292 WeakPolarHBondContact O-CB 3.35Å; L288-Y292 PolarHBondContact O-N 2.85Å; L289-Y292 WeakPolarHBondContact O-CB 3.25Å; L289-Y292 PolarHBondContact O-N 3.13Å; Y292-G294 VanDerWaalsContact C-N 3.34Å
293	L	87.3	Confident	87.2	Confident	34 Å²	34	78.5 Å²	78.5	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-81.7	-6.1	179.5	-64.3	177.1	0	0	0	114.6	K237 L241 L289 G290 Q291	K237-L293 WeakPolarHBondContact CB-O 3.49Å; L241-L293 HydrophobicContact CD2-CD2 3.72Å; L289-L293 WeakPolarHBondContact O-CB 3.41Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.32Å; L289-L293 PolarHBondContact O-N 2.89Å; G290-L293 PolarHBondContact O-N 3.33Å; Q291-L293 VanDerWaalsContact C-N 3.27Å; Q291-L293 PolarHBondContact O-N 3.35Å
294	G	85.2	Confident	86.7	Confident	6 Å²	6	71.9 Å²	71.9	6%	0.062	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	21.8	-179.8	0	0	0	0	0	114.5	G290 Q291 Y292 F296 N297	G290-G294 PolarHBondContact O-N 3.07Å; Q291-G294 PolarHBondContact O-N 3.13Å; Q291-G294 VanDerWaalsContact O-N 3.13Å; Y292-G294 VanDerWaalsContact C-N 3.34Å; G294-F296 PolarHBondContact O-N 3.15Å; G294-F296 VanDerWaalsContact O-N 3.1Å; G294-N297 PolarHBondContact O-N 2.92Å
295	A	85.4	Confident	86	Confident	35 Å²	35	69.2 Å²	69.2	29%	0.289	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.3	-176.3	0	0	0	0	0	113.9	G290	G290-A295 WeakPolarHBondContact O-CB 3.46Å; G290-A295 PolarHBondContact O-N 2.71Å
296	F	85.4	Confident	84.2	Confident	89 Å²	89	69.7 Å²	69.7	39%	0.39	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.3	-179.9	-63.2	-81.2	0	0	0	113.7	N185 I287 Q291 G294	N185-F296 PolarHBondContact ND2-O 3.04Å; I287-F296 HydrophobicContact CG2-CZ 4.29Å; Q291-F296 HydrophobicContact CB-CD2 4.46Å; Q291-F296 HydrophobicContact CB-CE2 4.32Å; Q291-F296 HydrophobicContact CG-CD2 3.76Å; Q291-F296 HydrophobicContact CG-CE2 3.43Å; Q291-F296 VanDerWaalsContact CG-CE2 3.43Å; Q291-F296 HydrophobicContact CG-CZ 4.42Å; G294-F296 PolarHBondContact O-N 3.15Å; G294-F296 VanDerWaalsContact O-N 3.1Å
297	N	85.9	Confident	82.1	Confident	95 Å²	95	77.5 Å²	77.5	51%	0.508	38%	0.382	S	S	.	.	S	Bend	trans	-116.4	4.9	-172.3	-56.8	101.5	0	0	0	113.5	G294 M299 D300	G294-N297 PolarHBondContact O-N 2.92Å; N297-M299 PolarHBondContact O-N 3.24Å; N297-M299 VanDerWaalsContact O-N 3.12Å; N297-D300 WeakPolarHBondContact CA-OD2 3.47Å; N297-D300 VanDerWaalsContact CB-OD2 3.29Å; N297-D300 WeakPolarHBondContact CB-OD2 3.43Å; N297-D300 PolarHBondContact ND2-OD2 3.43Å; N297-D300 PolarHBondContact O-N 3.44Å
298	L	83.6	Confident	79.6	Confident	12 Å²	12	83.6 Å²	83.6	6%	0.063	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.2	-174	-67.6	174.8	0	0	0	113.6	V184 Y224 F225 H235	V184-L298 HydrophobicContact CG1-CD1 4.01Å; Y224-L298 WeakPolarHBondContact OH-CD1 3.23Å; Y224-L298 VanDerWaalsContact OH-CD2 3.3Å; Y224-L298 WeakPolarHBondContact OH-CD2 3.31Å; F225-L298 HydrophobicContact CE2-CB 4Å; F225-L298 HydrophobicContact CE2-CD1 4.05Å; F225-L298 HydrophobicContact CE2-CD2 4.28Å; F225-L298 HydrophobicContact CE2-CG 4.33Å; F225-L298 HydrophobicContact CZ-CB 4.27Å; F225-L298 HydrophobicContact CZ-CD1 4.43Å; H235-L298 WeakPolarHBondContact O-CD2 3.23Å
299	M	86.1	Confident	76.5	Confident	19 Å²	19	87.6 Å²	87.6	9%	0.094	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.8	-173.7	-62.9	-61.7	-65	0	0	113.6	N185 L187 F225 F231 C234 N297 T301 F302	N185-M299 VanDerWaalsContact O-CG 3.22Å; N185-M299 WeakPolarHBondContact O-CG 3.13Å; L187-M299 HydrophobicContact CD1-CE 4.36Å; L187-M299 HydrophobicContact CD1-CG 4.33Å; L187-M299 HydrophobicContact CD1-SD 3.89Å; L187-M299 HydrophobicContact CD2-CE 3.6Å; L187-M299 HydrophobicContact CD2-SD 4.23Å; L187-M299 HydrophobicContact CG-CE 3.99Å; L187-M299 HydrophobicContact CG-CG 4.09Å; L187-M299 HydrophobicContact CG-SD 4.02Å; F225-M299 HydrophobicContact CE1-SD 4.3Å; F225-M299 HydrophobicContact CZ-SD 4.1Å; F231-M299 HydrophobicContact CD1-SD 4.39Å; C234-M299 PolarHBondContact SG-SD 3.11Å; N297-M299 PolarHBondContact O-N 3.24Å; N297-M299 VanDerWaalsContact O-N 3.12Å; M299-T301 PolarHBondContact O-N 2.95Å; M299-T301 VanDerWaalsContact O-N 3.09Å; M299-F302 HydrophobicContact CE-CB 3.71Å; M299-F302 HydrophobicContact CE-CD1 4.11Å; M299-F302 HydrophobicContact CE-CD2 3.36Å; M299-F302 HydrophobicContact CE-CE2 3.9Å; M299-F302 HydrophobicContact CE-CG 3.45Å; M299-F302 VanDerWaalsContact CE-CG 3.45Å; M299-F302 VanDerWaalsContact O-CB 3.27Å; M299-F302 WeakPolarHBondContact O-CB 3.44Å; M299-F302 PolarHBondContact O-N 3.39Å; M299-F302 VanDerWaalsContact O-N 3.12Å; M299-F302 HydrophobicContact SD-CD2 4.35Å
300	D	84.8	Confident	73.7	Confident	100 Å²	100	97 Å²	97	54%	0.535	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.5	-172	-70	-5.2	0	0	0	113.4	N297	N297-D300 WeakPolarHBondContact CA-OD2 3.47Å; N297-D300 VanDerWaalsContact CB-OD2 3.29Å; N297-D300 WeakPolarHBondContact CB-OD2 3.43Å; N297-D300 PolarHBondContact ND2-OD2 3.43Å; N297-D300 PolarHBondContact O-N 3.44Å
301	T	81.8	Confident	73	Confident	66 Å²	66	101.1 Å²	101.1	41%	0.405	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	12.1	-176.8	37.5	0	0	0	0	112.3	G233 H235 M299 R303	G233-T301 CarbonylContact C-O 3.49Å; G233-T301 WeakPolarHBondContact CA-O 3.42Å; G233-T301 CarbonylContact O-C 3.57Å; G233-T301 VanDerWaalsContact O-CB 3.3Å; G233-T301 WeakPolarHBondContact O-CB 3.45Å; G233-T301 PolarHBondContact O-OG1 2.74Å; H235-T301 PolarHBondContact CD2-OG1 2.85Å; M299-T301 PolarHBondContact O-N 2.95Å; M299-T301 VanDerWaalsContact O-N 3.09Å; T301-R303 PolarHBondContact O-N 3.07Å
302	F	84.8	Confident	72.2	Confident	42 Å²	42	100.5 Å²	100.5	18%	0.184	48%	0.477	C	S	.	.			trans	-58.8	129.4	179.1	173.2	-95.5	0	0	0	111.5	V129 M230 F231 M299	V129-F302 HydrophobicContact CG1-CE2 4.39Å; V129-F302 HydrophobicContact CG1-CZ 4.04Å; M230-F302 WeakPolarHBondContact O-CE2 3.42Å; F231-F302 HydrophobicContact CD1-CD2 4.46Å; F231-F302 HydrophobicContact CD1-CE2 4.16Å; M299-F302 HydrophobicContact CE-CB 3.71Å; M299-F302 HydrophobicContact CE-CD1 4.11Å; M299-F302 HydrophobicContact CE-CD2 3.36Å; M299-F302 HydrophobicContact CE-CE2 3.9Å; M299-F302 HydrophobicContact CE-CG 3.45Å; M299-F302 VanDerWaalsContact CE-CG 3.45Å; M299-F302 VanDerWaalsContact O-CB 3.27Å; M299-F302 WeakPolarHBondContact O-CB 3.44Å; M299-F302 PolarHBondContact O-N 3.39Å; M299-F302 VanDerWaalsContact O-N 3.12Å; M299-F302 HydrophobicContact SD-CD2 4.35Å
303	R	82.5	Confident	71.3	Confident	198 Å²	198	98.7 Å²	98.7	75%	0.747	47%	0.474	S	S	*	.			trans	-111.9	-27.9	174.2	-62.3	176.7	-177.1	171.9	-1.2	111.9	D232 T301	D232-R303 PolarHBondContact O-N 3.3Å; T301-R303 PolarHBondContact O-N 3.07Å
304	G	80.4	Confident	70.4	Confident	6 Å²	6	102.5 Å²	102.5	6%	0.062	49%	0.492	C	S	.	.			trans	66.8	-165.9	-172.6	0	0	0	0	0	112.2	G229 D232 S306	G229-G304 CarbonylContact O-C 3.51Å; D232-G304 PolarHBondContact O-N 3.48Å; G304-S306 PolarHBondContact O-N 3.39Å
305	R	76.9	Confident	69.4	Low	128 Å²	128	108.6 Å²	108.6	48%	0.483	52%	0.518	S	S	.	.	S	Bend	trans	-68	121.2	175.7	-69.3	-177.2	-172.7	-174.3	0.8	108.9	S50 G229 K307	S50-R305 PolarHBondContact OG-NH1 2.88Å; S50-R305 PolarHBondContact OG-NH2 3.39Å; G229-R305 WeakPolarHBondContact O-CG 3.35Å; G229-R305 PolarHBondContact O-N 3.48Å; G229-R305 VanDerWaalsContact O-N 3.16Å; R305-K307 PolarHBondContact O-N 2.94Å; R305-K307 VanDerWaalsContact O-N 3.15Å
306	S	55	Low	68.4	Low	102 Å²	102	113.5 Å²	113.5	71%	0.713	53%	0.534	S	S	*	.			trans	-57.1	119.9	167.3	-0	0	0	0	0	107.7	G304 K308	G304-S306 PolarHBondContact O-N 3.39Å; S306-K308 PolarHBondContact O-N 3.02Å
307	K	45.3	Very low	67.1	Low	196 Å²	196	115.2 Å²	115.2	85%	0.852	54%	0.544	S	S	*	.			trans	-58.6	113.6	162.2	-78.4	-176.1	176	-175.4	0	105.1	R305 Q309	R305-K307 PolarHBondContact O-N 2.94Å; R305-K307 VanDerWaalsContact O-N 3.15Å; K307-Q309 PolarHBondContact O-N 3.19Å
308	K	35.4	Very low	65.7	Low	195 Å²	195	116.8 Å²	116.8	85%	0.848	55%	0.547	S	S	*	.			trans	-52.6	118.6	158	-91.7	-177	170.5	-174.9	0	104.5	S306 E310	S306-K308 PolarHBondContact O-N 3.02Å; K308-E310 PolarHBondContact O-N 3.13Å
309	Q	27.8	Very low	64.2	Low	192 Å²	192	125.5 Å²	125.5	90%	0.897	59%	0.587	S	S	*	*			trans	-55.3	109.6	165	-78.7	171.5	-26.3	0	0	105.2	K307	K307-Q309 PolarHBondContact O-N 3.19Å
310	E	29.6	Very low	62.2	Low	262 Å²	262	135.2 Å²	135.2	100%	1.224	63%	0.632	S	S	*	*			trans	-69.8	0	156.3	-75.5	-179.5	168.3	0	0	108.4	K308	K308-E310 PolarHBondContact O-N 3.13Å

Retrieved 310 of 310 residues in 500 ms (Link to these results)

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