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N(6)-L-threonylcarbamoyladenine synthase

Required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in mitochondrial tRNAs that read codons beginning with adenine. Probably involved in the transfer of the threonylcarbamoyl moiety of threonylcarbamoyl-AMP (TC-AMP) to the N6 group of A37. Involved in mitochondrial genome maintenance.

AlphaFold DB , UniProt , Accession A0A096MX36, Species PAPAN (Papio anubis, Olive baboon), Gene OSGEPL1, Length 414 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	28.5	Very low	235 Å²	235	152.8 Å²	152.8	100%	1.158	84%	0.842	S	S	*	*				0	85	0	-168.6	172.8	161.3	0	0	107.5
2	L	22.9	Very low	29.3	Very low	173 Å²	173	156.8 Å²	156.8	91%	0.906	85%	0.845	S	S	*	*			trans	-131.7	113.6	-178.1	-102	151.8	0	0	0	106.5
3	I	25	Very low	29.9	Very low	149 Å²	149	157.2 Å²	157.2	76%	0.764	83%	0.834	S	S	*	*			trans	-79.5	117.6	-172.8	-66.3	170	0	0	0	108.1	N5	I3-N5 PolarHBondContact O-N 2.99Å
4	L	26	Very low	30.7	Very low	167 Å²	167	150.4 Å²	150.4	87%	0.874	80%	0.803	S	S	*	*			trans	-74.4	112.5	170.5	-89	150.1	0	0	0	109.4	K6	L4-K6 PolarHBondContact O-N 3.16Å
5	N	25.4	Very low	31.6	Very low	148 Å²	148	145 Å²	145	79%	0.791	78%	0.782	S	S	*	*			trans	-69	119.1	169.5	-94.4	-18.8	0	0	0	110.4	I3 T7	I3-N5 PolarHBondContact O-N 2.99Å; N5-T7 PolarHBondContact O-N 2.84Å
6	K	31.2	Very low	32.6	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.896	78%	0.778	S	S	*	*			trans	-66.8	111.5	164.1	-80.5	176.2	173.8	175.5	0	109	L4 A8	L4-K6 PolarHBondContact O-N 3.16Å; K6-A8 PolarHBondContact O-N 3.26Å
7	T	29.1	Very low	33.3	Very low	142 Å²	142	148.8 Å²	148.8	87%	0.871	77%	0.774	S	S	*	*			trans	-78.3	93.8	164	36	0	0	0	0	109.2	N5 G9	N5-T7 PolarHBondContact O-N 2.84Å; T7-G9 PolarHBondContact O-N 3.34Å
8	A	30.9	Very low	34.5	Very low	90 Å²	90	147.8 Å²	147.8	74%	0.744	76%	0.763	S	S	*	*			trans	-70.6	113.9	164.2	0	0	0	0	0	108.6	K6 V10	K6-A8 PolarHBondContact O-N 3.26Å; A8-V10 PolarHBondContact O-N 3.29Å
9	G	30.7	Very low	35.3	Very low	65 Å²	65	140.4 Å²	140.4	67%	0.67	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-64.4	120.2	174.6	0	0	0	0	0	110.9	T7 F11	T7-G9 PolarHBondContact O-N 3.34Å; G9-F11 PolarHBondContact O-N 3.36Å
10	V	28.3	Very low	36	Very low	144 Å²	144	141.2 Å²	141.2	87%	0.873	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68.9	119.7	175.2	175.7	0	0	0	0	109.1	A8 F12	A8-V10 PolarHBondContact O-N 3.29Å; V10-F12 PolarHBondContact O-N 2.87Å
11	F	34.8	Very low	36.8	Very low	162 Å²	162	139.8 Å²	139.8	71%	0.711	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-72	119.6	176.3	-80.6	-96.7	0	0	0	110.8	G9	G9-F11 PolarHBondContact O-N 3.36Å
12	F	37.6	Very low	38.1	Very low	201 Å²	201	128.9 Å²	128.9	88%	0.882	66%	0.656	S	S	*	*			trans	-90.8	113.4	160.6	-147.3	-95.9	0	0	0	108.6	V10	V10-F12 PolarHBondContact O-N 2.87Å
13	K	37.5	Very low	39.5	Very low	161 Å²	161	123.4 Å²	123.4	70%	0.7	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-71.5	128.7	178.7	-79	175.4	176.8	169.4	0	109.6
14	P	41.3	Very low	40.8	Very low	62 Å²	62	126.6 Å²	126.6	40%	0.403	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-51.9	142.4	161	-19.5	27.7	0	0	0	110.2	K16	P14-K16 PolarHBondContact O-N 3.49Å; P14-K16 VanDerWaalsContact O-N 3.16Å
15	S	43.8	Very low	42	Very low	70 Å²	70	121.8 Å²	121.8	49%	0.49	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-60.1	117	179.8	167	0	0	0	0	111	R17 K18	S15-R17 PolarHBondContact O-N 3.03Å; S15-R17 WeakPolarHBondContact OG-CB 3.46Å; S15-R17 PolarHBondContact OG-N 2.85Å; S15-K18 PolarHBondContact O-N 3.32Å
16	K	47.5	Very low	43.2	Very low	165 Å²	165	116.3 Å²	116.3	72%	0.717	58%	0.579	S	S	*	*	H	α-helix	trans	-49.9	-24	174.5	-71.7	-175	175.1	-174.9	0	113.4	P14 Y20	P14-K16 PolarHBondContact O-N 3.49Å; P14-K16 VanDerWaalsContact O-N 3.16Å; K16-Y20 PolarHBondContact O-N 3.13Å
17	R	45.3	Very low	43.6	Very low	189 Å²	189	114.2 Å²	114.2	71%	0.713	58%	0.578	S	S	*	*	H	α-helix	trans	-68.7	-39	-176.5	-157.5	173.2	-177.9	169.9	2.1	112.7	S15 Y20 E21	S15-R17 PolarHBondContact O-N 3.03Å; S15-R17 WeakPolarHBondContact OG-CB 3.46Å; S15-R17 PolarHBondContact OG-N 2.85Å; R17-Y20 PolarHBondContact O-N 3.21Å; R17-E21 PolarHBondContact O-N 2.98Å; R17-E21 VanDerWaalsContact O-N 3.16Å
18	K	53.5	Low	44.6	Very low	131 Å²	131	111.1 Å²	111.1	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-72	-31.1	-176.3	-73.9	-172.1	173.3	-173.6	0	113.7	S15 F22 Q92	S15-K18 PolarHBondContact O-N 3.32Å; K18-F22 PolarHBondContact O-N 3.48Å; K18-Q92 PolarHBondContact O-NE2 3.45Å
19	V	51	Low	45.2	Very low	7 Å²	7	115.1 Å²	115.1	4%	0.042	56%	0.555	C	S	.	*	H	α-helix	trans	-80	-30.1	177.2	-165.4	0	0	0	0	111.4	F22 L23	V19-F22 HydrophobicContact CG1-CD1 4.27Å; V19-F22 VanDerWaalsContact O-CB 3.31Å; V19-F22 WeakPolarHBondContact O-CB 3.38Å; V19-F22 PolarHBondContact O-N 3.14Å; V19-L23 PolarHBondContact O-N 3.49Å
20	Y	48.5	Very low	45.5	Very low	156 Å²	156	118.7 Å²	118.7	61%	0.612	57%	0.567	S	S	*	*	H	α-helix	trans	-68	-38.8	172.9	-117	-89.8	0	0	0	112.4	K16 R17 F22 L23 R24	K16-Y20 PolarHBondContact O-N 3.13Å; R17-Y20 PolarHBondContact O-N 3.21Å; Y20-F22 VanDerWaalsContact C-N 3.32Å; Y20-L23 PolarHBondContact O-N 3.2Å; Y20-R24 PolarHBondContact O-N 3.37Å
21	E	53.9	Low	46.1	Very low	113 Å²	113	114.3 Å²	114.3	53%	0.528	55%	0.551	S	S	.	*	H	α-helix	trans	-65.7	-35.5	172.2	-75.1	169.7	-177.3	0	0	111.9	R17 L23 R24 S25	R17-E21 PolarHBondContact O-N 2.98Å; R17-E21 VanDerWaalsContact O-N 3.16Å; E21-L23 PolarHBondContact O-N 3.5Å; E21-R24 PolarHBondContact O-N 3.32Å; E21-R24 VanDerWaalsContact O-N 3.14Å; E21-S25 PolarHBondContact O-N 2.91Å; E21-S25 VanDerWaalsContact O-N 3.1Å
22	F	55.8	Low	46.5	Very low	6 Å²	6	111.8 Å²	111.8	3%	0.026	55%	0.549	C	S	.	.	H	α-helix	trans	-55.5	-47.8	173.8	158.2	-94.3	0	0	0	112.5	K18 V19 Y20 R24 S25 F26 Q96 L99 L134	K18-F22 PolarHBondContact O-N 3.48Å; V19-F22 HydrophobicContact CG1-CD1 4.27Å; V19-F22 VanDerWaalsContact O-CB 3.31Å; V19-F22 WeakPolarHBondContact O-CB 3.38Å; V19-F22 PolarHBondContact O-N 3.14Å; Y20-F22 VanDerWaalsContact C-N 3.32Å; F22-R24 VanDerWaalsContact C-N 3.29Å; F22-R24 PolarHBondContact O-N 3.12Å; F22-S25 PolarHBondContact O-N 3.36Å; F22-S25 PolarHBondContact O-OG 3.22Å; F22-F26 HydrophobicContact CD1-CE2 4.23Å; F22-F26 AromaticContact CD2-CE2 3.93Å; F22-F26 HydrophobicContact CD2-CE2 3.93Å; F22-F26 HydrophobicContact CD2-CZ 4.3Å; F22-F26 AromaticContact CE1-CE2 3.94Å; F22-F26 HydrophobicContact CE1-CE2 3.94Å; F22-F26 AromaticContact CE2-CE2 3.64Å; F22-F26 HydrophobicContact CE2-CE2 3.64Å; F22-F26 AromaticContact CE2-CZ 3.7Å; F22-F26 HydrophobicContact CE2-CZ 3.7Å; F22-F26 HydrophobicContact CG-CE2 4.22Å; F22-F26 AromaticContact CZ-CE2 3.64Å; F22-F26 HydrophobicContact CZ-CE2 3.64Å; F22-F26 AromaticContact CZ-CZ 3.88Å; F22-F26 HydrophobicContact CZ-CZ 3.88Å; F22-F26 WeakPolarHBondContact O-CD2 3.28Å; F22-F26 VanDerWaalsContact O-CE2 3.29Å; F22-F26 WeakPolarHBondContact O-CE2 3.48Å; F22-Q96 HydrophobicContact CD2-CB 4.05Å; F22-Q96 HydrophobicContact CD2-CG 4.01Å; F22-Q96 HydrophobicContact CE2-CB 3.64Å; F22-Q96 HydrophobicContact CE2-CG 3.83Å; F22-L99 HydrophobicContact CZ-CD1 3.82Å; F22-L134 HydrophobicContact CE1-CD1 4.07Å
23	L	53.3	Low	46.7	Very low	57 Å²	57	111.5 Å²	111.5	30%	0.298	55%	0.55	S	S	.	*	H	α-helix	trans	-65.5	-30.1	177.5	-67	177.4	0	0	0	113.3	V19 Y20 E21 Q137 L138	V19-L23 PolarHBondContact O-N 3.49Å; Y20-L23 PolarHBondContact O-N 3.2Å; E21-L23 PolarHBondContact O-N 3.5Å; L23-Q137 HydrophobicContact CD1-CB 4.28Å; L23-L138 HydrophobicContact CD2-CD2 3.92Å
24	R	51.8	Low	47.3	Very low	217 Å²	217	107.8 Å²	107.8	82%	0.819	53%	0.534	S	S	*	.	H	α-helix	trans	-78.6	-18.8	178.4	-77.5	-171.6	169.1	-162.7	-2.9	114.1	Y20 E21 F22 F26	Y20-R24 PolarHBondContact O-N 3.37Å; E21-R24 PolarHBondContact O-N 3.32Å; E21-R24 VanDerWaalsContact O-N 3.14Å; F22-R24 VanDerWaalsContact C-N 3.29Å; F22-R24 PolarHBondContact O-N 3.12Å; R24-F26 PolarHBondContact O-N 3.18Å
25	S	51.6	Low	48.2	Very low	66 Å²	66	112.8 Å²	112.8	46%	0.462	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-8	178.3	71.2	0	0	0	0	113.9	E21 F22 N27 Q96	E21-S25 PolarHBondContact O-N 2.91Å; E21-S25 VanDerWaalsContact O-N 3.1Å; F22-S25 PolarHBondContact O-N 3.36Å; F22-S25 PolarHBondContact O-OG 3.22Å; S25-N27 PolarHBondContact O-N 3.35Å; S25-Q96 PolarHBondContact OG-NE2 2.95Å
26	F	49.4	Very low	49.8	Very low	32 Å²	32	113.5 Å²	113.5	14%	0.14	55%	0.552	C	S	.	*			trans	-90.8	95	-178.2	-73.5	-67.7	0	0	0	111.5	F22 R24 F28 Q96 L99	F22-F26 HydrophobicContact CD1-CE2 4.23Å; F22-F26 AromaticContact CD2-CE2 3.93Å; F22-F26 HydrophobicContact CD2-CE2 3.93Å; F22-F26 HydrophobicContact CD2-CZ 4.3Å; F22-F26 AromaticContact CE1-CE2 3.94Å; F22-F26 HydrophobicContact CE1-CE2 3.94Å; F22-F26 AromaticContact CE2-CE2 3.64Å; F22-F26 HydrophobicContact CE2-CE2 3.64Å; F22-F26 AromaticContact CE2-CZ 3.7Å; F22-F26 HydrophobicContact CE2-CZ 3.7Å; F22-F26 HydrophobicContact CG-CE2 4.22Å; F22-F26 AromaticContact CZ-CE2 3.64Å; F22-F26 HydrophobicContact CZ-CE2 3.64Å; F22-F26 AromaticContact CZ-CZ 3.88Å; F22-F26 HydrophobicContact CZ-CZ 3.88Å; F22-F26 WeakPolarHBondContact O-CD2 3.28Å; F22-F26 VanDerWaalsContact O-CE2 3.29Å; F22-F26 WeakPolarHBondContact O-CE2 3.48Å; R24-F26 PolarHBondContact O-N 3.18Å; F26-F28 HydrophobicContact CB-CD2 3.55Å; F26-F28 HydrophobicContact CB-CE2 3.4Å; F26-F28 HydrophobicContact CB-CZ 4.4Å; F26-F28 HydrophobicContact CD1-CD2 4.16Å; F26-F28 AromaticContact CD1-CE2 3.14Å; F26-F28 HydrophobicContact CD1-CE2 3.14Å; F26-F28 AromaticContact CD1-CZ 3.42Å; F26-F28 HydrophobicContact CD1-CZ 3.42Å; F26-F28 VanDerWaalsContact CD1-CZ 3.42Å; F26-F28 HydrophobicContact CE1-CE2 4.01Å; F26-F28 HydrophobicContact CE1-CZ 4.01Å; F26-F28 HydrophobicContact CG-CD2 4.14Å; F26-F28 AromaticContact CG-CE2 3.45Å; F26-F28 HydrophobicContact CG-CE2 3.45Å; F26-F28 VanDerWaalsContact CG-CE2 3.45Å; F26-F28 HydrophobicContact CG-CZ 4.2Å; F26-F28 PolarHBondContact O-N 3.43Å; F26-Q96 HydrophobicContact CZ-CG 4.09Å; F26-L99 HydrophobicContact CZ-CB 4.4Å
27	N	40.5	Very low	52	Low	162 Å²	162	109.3 Å²	109.3	87%	0.866	53%	0.534	S	S	*	.			trans	-79.7	101.9	162.6	-82.8	-24.4	0	0	0	108.4	S25	S25-N27 PolarHBondContact O-N 3.35Å
28	F	50.4	Low	54.5	Low	77 Å²	77	100.3 Å²	100.3	34%	0.338	50%	0.5	S	S	.	.			trans	-112.6	142	177.5	-77.3	-64.4	0	0	0	112.4	F26	F26-F28 HydrophobicContact CB-CD2 3.55Å; F26-F28 HydrophobicContact CB-CE2 3.4Å; F26-F28 HydrophobicContact CB-CZ 4.4Å; F26-F28 HydrophobicContact CD1-CD2 4.16Å; F26-F28 AromaticContact CD1-CE2 3.14Å; F26-F28 HydrophobicContact CD1-CE2 3.14Å; F26-F28 AromaticContact CD1-CZ 3.42Å; F26-F28 HydrophobicContact CD1-CZ 3.42Å; F26-F28 VanDerWaalsContact CD1-CZ 3.42Å; F26-F28 HydrophobicContact CE1-CE2 4.01Å; F26-F28 HydrophobicContact CE1-CZ 4.01Å; F26-F28 HydrophobicContact CG-CD2 4.14Å; F26-F28 AromaticContact CG-CE2 3.45Å; F26-F28 HydrophobicContact CG-CE2 3.45Å; F26-F28 VanDerWaalsContact CG-CE2 3.45Å; F26-F28 HydrophobicContact CG-CZ 4.2Å; F26-F28 PolarHBondContact O-N 3.43Å
29	H	43.6	Very low	56.6	Low	174 Å²	174	94 Å²	94	81%	0.806	47%	0.473	S	S	*	.			trans	-94.3	135.3	166.7	-70.2	1.1	0	0	0	108.6	G31	H29-G31 PolarHBondContact O-N 3.35Å
30	P	36.4	Very low	58.9	Low	140 Å²	140	93.7 Å²	93.7	91%	0.909	47%	0.471	S	S	*	.			trans	-70	106.7	178	28.7	-31.1	0	0	0	108.4
31	G	40.8	Very low	61.3	Low	52 Å²	52	86.3 Å²	86.3	54%	0.536	44%	0.442	S	S	.	.			trans	-144.2	124.2	179.9	0	0	0	0	0	110.8	H29	H29-G31 PolarHBondContact O-N 3.35Å
32	T	42.8	Very low	63.4	Low	109 Å²	109	81 Å²	81	67%	0.669	42%	0.417	S	S	*	.			trans	70.3	105.8	176.1	29.5	0	0	0	0	117.1	F34	T32-F34 VanDerWaalsContact O-CD2 3.29Å; T32-F34 WeakPolarHBondContact O-CD2 3.37Å; T32-F34 PolarHBondContact O-N 2.72Å
33	Q	41.5	Very low	65.5	Low	195 Å²	195	80.7 Å²	80.7	91%	0.911	42%	0.416	S	S	*	.			trans	-64.9	111.3	159.5	-79.8	176.3	-16.7	0	0	108.4
34	F	50.7	Low	67.6	Low	83 Å²	83	78 Å²	78	36%	0.364	40%	0.402	S	S	.	.			trans	-82	116.2	171.7	-72.3	-88.3	0	0	0	109.1	T32 H36 I38 I104	T32-F34 VanDerWaalsContact O-CD2 3.29Å; T32-F34 WeakPolarHBondContact O-CD2 3.37Å; T32-F34 PolarHBondContact O-N 2.72Å; F34-H36 PolarHBondContact O-N 3.29Å; F34-I38 HydrophobicContact CB-CD1 3.7Å; F34-I38 HydrophobicContact CD1-CD1 4.11Å; F34-I38 HydrophobicContact CD2-CD1 4.15Å; F34-I38 HydrophobicContact CG-CD1 3.72Å; F34-I104 HydrophobicContact CE2-CG2 4.24Å
35	L	59.5	Low	69.7	Low	168 Å²	168	67.9 Å²	67.9	88%	0.88	36%	0.364	S	S	*	.			trans	-71.4	-5.2	170.3	-96.6	128.5	0	0	0	112.9
36	H	79.1	Confident	71.7	Confident	85 Å²	85	66.2 Å²	66.2	39%	0.394	35%	0.352	S	S	.	.	S	Bend	trans	-102.6	146.4	-170.1	-66.3	-57.6	0	0	0	112.9	F34 I38 E56	F34-H36 PolarHBondContact O-N 3.29Å; H36-I38 PolarHBondContact O-N 2.73Å; H36-E56 WeakPolarHBondContact CA-OE1 3.33Å; H36-E56 HydrophobicContact CB-CG 3.98Å; H36-E56 WeakPolarHBondContact CB-OE1 3.19Å; H36-E56 IonicContact CE1-OE1 3.75Å; H36-E56 IonicContact CG-OE1 2.63Å; H36-E56 IonicContact ND1-OE1 3.14Å; H36-E56 PolarHBondContact ND1-OE1 3.02Å
37	K	92.8	Very high	73.6	Confident	76 Å²	76	65.8 Å²	65.8	33%	0.33	35%	0.351	S	S	.	.			trans	-64.8	131.8	171	-64.7	171.9	177.4	174.7	0	109.4	D55 E56 S110 I368 L371	K37-D55 CarbonylContact O-C 3.49Å; K37-D55 WeakPolarHBondContact O-CA 3.47Å; K37-E56 HydrophobicContact CB-CB 4.2Å; K37-E56 PolarHBondContact N-OE1 3.07Å; K37-E56 PolarHBondContact O-N 3.33Å; K37-S110 WeakPolarHBondContact CA-OG 3.38Å; K37-I368 HydrophobicContact CB-CD1 4.05Å; K37-I368 WeakPolarHBondContact O-CD1 3.33Å; K37-L371 HydrophobicContact CB-CD1 4.38Å; K37-L371 HydrophobicContact CD-CB 4.02Å; K37-L371 HydrophobicContact CD-CD1 4.43Å; K37-L371 PolarHBondContact NZ-O 2.86Å
38	I	97.4	Very high	76.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.1	179.5	-57.9	166.7	0	0	0	109.6	F34 H36 V53 V54 D55 L61 I104 L109 S110	F34-I38 HydrophobicContact CB-CD1 3.7Å; F34-I38 HydrophobicContact CD1-CD1 4.11Å; F34-I38 HydrophobicContact CD2-CD1 4.15Å; F34-I38 HydrophobicContact CG-CD1 3.72Å; H36-I38 PolarHBondContact O-N 2.73Å; I38-V53 HydrophobicContact CG2-CG1 3.51Å; I38-V54 WeakPolarHBondContact CA-O 3.29Å; I38-D55 HydrophobicContact CG1-CB 4.23Å; I38-L61 HydrophobicContact CD1-CD1 4.32Å; I38-L61 HydrophobicContact CG1-CD1 4.49Å; I38-L61 HydrophobicContact CG2-CD1 4.13Å; I38-I104 HydrophobicContact CD1-CG2 4.42Å; I38-I104 HydrophobicContact CG2-CD1 3.71Å; I38-L109 HydrophobicContact CG2-CD2 4.17Å; I38-S110 PolarHBondContact N-OG 3.45Å; I38-S110 WeakPolarHBondContact O-CA 3.46Å; I38-S110 VanDerWaalsContact O-CB 3.29Å; I38-S110 WeakPolarHBondContact O-CB 3.31Å; I38-S110 PolarHBondContact O-N 2.85Å
39	V	98.4	Very high	78.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.3	-176.5	174.6	0	0	0	0	110.8	V53 V54 A111 A113 A364 I368 L371	V39-V53 WeakPolarHBondContact O-CA 3.31Å; V39-V54 PolarHBondContact N-O 3.35Å; V39-V54 PolarHBondContact O-N 3.03Å; V39-A111 HydrophobicContact CG2-CB 4.37Å; V39-A113 HydrophobicContact CG1-CB 3.61Å; V39-A364 HydrophobicContact CG1-CB 4.34Å; V39-I368 HydrophobicContact CB-CD1 4.07Å; V39-I368 HydrophobicContact CB-CG1 4.08Å; V39-I368 HydrophobicContact CG2-CD1 3.53Å; V39-I368 HydrophobicContact CG2-CG1 3.87Å; V39-L371 HydrophobicContact CG2-CD1 3.43Å; V39-L371 VanDerWaalsContact CG2-CD1 3.43Å; V39-L371 HydrophobicContact CG2-CG 4.47Å
40	L	98.8	Very high	81	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.1	164.2	173.4	65.4	0	0	0	108.9	I42 A51 A52 V53 V95 L99 L109 A111 I112 A113 L134	L40-I42 HydrophobicContact CD2-CD1 4.24Å; L40-I42 HydrophobicContact CG-CD1 4.46Å; L40-I42 HydrophobicContact CG-CG1 4.28Å; L40-A51 HydrophobicContact CD1-CB 4.45Å; L40-A52 CarbonylContact C-O 3.57Å; L40-A52 WeakPolarHBondContact CA-O 3.42Å; L40-V53 HydrophobicContact CD1-CG2 3.92Å; L40-V95 HydrophobicContact CD2-CG1 4.03Å; L40-L99 HydrophobicContact CD1-CD2 4.48Å; L40-L99 HydrophobicContact CD2-CD1 4.4Å; L40-L99 HydrophobicContact CD2-CD2 4.44Å; L40-L109 HydrophobicContact CB-CD1 4.2Å; L40-L109 HydrophobicContact CB-CD2 3.94Å; L40-A111 PolarHBondContact N-O 2.91Å; L40-I112 HydrophobicContact CD2-CG1 4.47Å; L40-I112 CarbonylContact O-C 3.53Å; L40-I112 WeakPolarHBondContact O-CA 3.35Å; L40-A113 PolarHBondContact O-N 3.17Å; L40-L134 HydrophobicContact CD2-CD2 3.65Å
41	G	98.8	Very high	84	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.9	172.8	0	0	0	0	0	111.9	A51 A52 A113	G41-A51 CarbonylContact O-C 3.48Å; G41-A51 WeakPolarHBondContact O-CA 3.42Å; G41-A52 PolarHBondContact N-O 3.4Å; G41-A52 PolarHBondContact O-N 3.29Å; G41-A113 CarbonylContact C-O 3.6Å; G41-A113 WeakPolarHBondContact CA-O 3.42Å
42	I	98.8	Very high	86.7	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.8	178.7	-60.2	172.1	0	0	0	110	L40 T44 I91 V95 I112 A113 T114 T115 F130 S131	L40-I42 HydrophobicContact CD2-CD1 4.24Å; L40-I42 HydrophobicContact CG-CD1 4.46Å; L40-I42 HydrophobicContact CG-CG1 4.28Å; I42-T44 HydrophobicContact CG2-CG2 4.41Å; I42-I91 HydrophobicContact CG2-CD1 4.3Å; I42-V95 HydrophobicContact CD1-CG2 3.95Å; I42-V95 HydrophobicContact CG1-CG2 4.08Å; I42-I112 HydrophobicContact CD1-CG2 4.19Å; I42-A113 PolarHBondContact N-O 2.99Å; I42-T114 HydrophobicContact CB-CG2 4.23Å; I42-T114 HydrophobicContact CG2-CG2 4.37Å; I42-T114 WeakPolarHBondContact O-CA 3.36Å; I42-T115 PolarHBondContact O-N 3.24Å; I42-F130 HydrophobicContact CD1-CD1 4.23Å; I42-F130 HydrophobicContact CD1-CE1 4.35Å; I42-S131 VanDerWaalsContact CD1-OG 3.31Å; I42-S131 WeakPolarHBondContact CD1-OG 3.36Å
43	E	98.6	Very high	89.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123	-177.4	177	49.6	-110.2	0	0	110.3	S45 A50 T115 H147 D358 M362 I363	E43-S45 WeakPolarHBondContact OE1-CA 3.45Å; E43-S45 WeakPolarHBondContact OE1-CB 3.35Å; E43-S45 PolarHBondContact OE1-N 3.1Å; E43-S45 PolarHBondContact OE1-OG 3.11Å; E43-A50 HydrophobicContact CB-CB 4.29Å; E43-A50 PolarHBondContact N-O 3.46Å; E43-A50 PolarHBondContact O-N 3.4Å; E43-T115 WeakPolarHBondContact OE2-CB 3.48Å; E43-T115 PolarHBondContact OE2-OG1 3.16Å; E43-H147 IonicContact OE1-ND1 3.54Å; E43-H147 IonicContact OE2-CE1 3.33Å; E43-H147 IonicContact OE2-ND1 2.67Å; E43-H147 PolarHBondContact OE2-ND1 2.94Å; E43-D358 HydrophobicContact CG-CB 4.22Å; E43-M362 HydrophobicContact CG-CE 4.05Å; E43-M362 WeakPolarHBondContact OE2-CE 3.22Å; E43-I363 HydrophobicContact CB-CG1 3.8Å; E43-I363 HydrophobicContact CG-CG1 4.4Å; E43-I363 WeakPolarHBondContact OE2-CD1 3.44Å
44	T	98	Very high	92.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.116	C	C	.	.			trans	-150.6	33.5	178	68.1	0	0	0	0	111.8	I42 T49 I91 S123 L124 G127	I42-T44 HydrophobicContact CG2-CG2 4.41Å; T44-T49 HydrophobicContact CG2-CG2 4.21Å; T44-I91 HydrophobicContact CG2-CD1 4.04Å; T44-S123 CarbonylContact O-C 3.12Å; T44-S123 WeakPolarHBondContact O-CB 3.39Å; T44-S123 PolarHBondContact OG1-O 3.23Å; T44-L124 PolarHBondContact O-N 2.84Å; T44-G127 VanDerWaalsContact OG1-CA 3.24Å; T44-G127 WeakPolarHBondContact OG1-CA 3.16Å; T44-G127 PolarHBondContact OG1-N 2.88Å
45	S	96.3	Very high	94.3	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	-73.7	-28.3	-174.4	62.3	0	0	0	0	112.9	E43 G119 L120 H147	E43-S45 WeakPolarHBondContact OE1-CA 3.45Å; E43-S45 WeakPolarHBondContact OE1-CB 3.35Å; E43-S45 PolarHBondContact OE1-N 3.1Å; E43-S45 PolarHBondContact OE1-OG 3.11Å; S45-G119 CarbonylContact O-C 3.58Å; S45-G119 WeakPolarHBondContact O-CA 3.08Å; S45-L120 PolarHBondContact O-N 3.29Å; S45-H147 PolarHBondContact OG-CE1 3.35Å; S45-H147 PolarHBondContact OG-ND1 3.22Å
46	C	92.6	Very high	95.9	Very high	31 Å²	31	13.9 Å²	13.9	21%	0.209	7%	0.069	C	C	.	.	S	Bend	trans	-133.5	-102.4	-171.4	-166.6	0	0	0	0	112.2	I78 H87 S123	C46-I78 WeakPolarHBondContact SG-CD1 3.43Å; C46-H87 PolarHBondContact O-NE2 3.43Å; C46-S123 PolarHBondContact O-OG 2.91Å
47	D	89.9	Confident	96.6	Very high	23 Å²	23	13.6 Å²	13.6	12%	0.123	7%	0.073	C	C	.	.	S	Bend	trans	-126.7	4.3	-173	64.4	-50.7	0	0	0	113.6	Q68 I78	D47-Q68 HydrophobicContact CB-CB 4.22Å; D47-Q68 WeakPolarHBondContact O-CB 3.24Å; D47-Q68 WeakPolarHBondContact O-CG 3.38Å; D47-Q68 PolarHBondContact O-N 3.07Å; D47-I78 HydrophobicContact CB-CD1 4.14Å; D47-I78 HydrophobicContact CB-CG1 4.24Å
48	D	93.4	Very high	96.6	Very high	16 Å²	16	10.7 Å²	10.7	9%	0.086	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.8	170.9	-69.2	-42.8	0	0	0	110.2	I65 S67 H87 D358	D48-I65 HydrophobicContact CB-CD1 4.28Å; D48-S67 WeakPolarHBondContact OD1-CA 3.42Å; D48-S67 WeakPolarHBondContact OD1-CB 3.21Å; D48-S67 PolarHBondContact OD1-OG 3.46Å; D48-H87 PolarHBondContact O-CE1 3.24Å; D48-H87 VanDerWaalsContact O-CE1 3.26Å; D48-D358 HydrophobicContact CB-CB 4.32Å
49	T	98.2	Very high	96.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	109.4	167.2	-45.9	0	0	0	0	107.5	T44 I65 H66 H87 N90 I91 I94	T44-T49 HydrophobicContact CG2-CG2 4.21Å; T49-I65 CarbonylContact O-C 3.54Å; T49-I65 WeakPolarHBondContact O-CA 3.04Å; T49-H66 PolarHBondContact N-O 2.99Å; T49-H66 PolarHBondContact O-N 2.95Å; T49-H87 PolarHBondContact OG1-ND1 3Å; T49-N90 HydrophobicContact CG2-CB 4.47Å; T49-I91 HydrophobicContact CG2-CB 4.07Å; T49-I91 HydrophobicContact CG2-CG1 4.41Å; T49-I94 HydrophobicContact CG2-CB 4.36Å; T49-I94 HydrophobicContact CG2-CG1 4.33Å; T49-I94 HydrophobicContact CG2-CG2 4.47Å
50	A	98.3	Very high	96.5	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.017	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146	-176.5	0	0	0	0	0	112.2	E43 A64 I65 G360	E43-A50 HydrophobicContact CB-CB 4.29Å; E43-A50 PolarHBondContact N-O 3.46Å; E43-A50 PolarHBondContact O-N 3.4Å; A50-A64 WeakPolarHBondContact CA-O 3.49Å; A50-I65 HydrophobicContact CB-CB 4.23Å; A50-I65 HydrophobicContact CB-CD1 4.2Å; A50-I65 HydrophobicContact CB-CG1 3.99Å; A50-G360 VanDerWaalsContact CB-N 3.34Å
51	A	98.8	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.8	172.1	0	0	0	0	0	110.3	L40 G41 E63 A64 I94 V95 A98	L40-A51 HydrophobicContact CD1-CB 4.45Å; G41-A51 CarbonylContact O-C 3.48Å; G41-A51 WeakPolarHBondContact O-CA 3.42Å; A51-E63 CarbonylContact O-C 3.58Å; A51-E63 WeakPolarHBondContact O-CA 3.44Å; A51-A64 PolarHBondContact N-O 2.81Å; A51-A64 PolarHBondContact O-N 3.28Å; A51-I94 HydrophobicContact CB-CG2 3.9Å; A51-V95 HydrophobicContact CB-CB 4.47Å; A51-V95 HydrophobicContact CB-CG2 3.82Å; A51-A98 HydrophobicContact CB-CB 3.87Å
52	A	98.7	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151.6	173.1	0	0	0	0	0	112	L40 G41 V54 G62 E63 G360 I361	L40-A52 CarbonylContact C-O 3.57Å; L40-A52 WeakPolarHBondContact CA-O 3.42Å; G41-A52 PolarHBondContact N-O 3.4Å; G41-A52 PolarHBondContact O-N 3.29Å; A52-V54 HydrophobicContact CB-CG2 4.45Å; A52-G62 CarbonylContact C-O 3.5Å; A52-G62 VanDerWaalsContact CA-O 3.26Å; A52-G62 WeakPolarHBondContact CA-O 2.88Å; A52-E63 HydrophobicContact CB-CB 3.88Å; A52-G360 VanDerWaalsContact CB-C 3.42Å; A52-I361 HydrophobicContact CB-CB 4.32Å; A52-I361 HydrophobicContact CB-CG1 3.64Å
53	V	98.6	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.4	172.9	179.3	0	0	0	0	107.6	I38 V39 L40 L61 G62 L99 I104	I38-V53 HydrophobicContact CG2-CG1 3.51Å; V39-V53 WeakPolarHBondContact O-CA 3.31Å; L40-V53 HydrophobicContact CD1-CG2 3.92Å; V53-L61 HydrophobicContact CB-CB 4.38Å; V53-L61 HydrophobicContact CG1-CB 4.1Å; V53-L61 HydrophobicContact CG1-CD1 4.09Å; V53-L61 HydrophobicContact CG1-CG 4.49Å; V53-L61 PolarHBondContact O-N 3.39Å; V53-G62 PolarHBondContact N-O 3.36Å; V53-G62 PolarHBondContact O-N 3.34Å; V53-L99 HydrophobicContact CG2-CD2 3.96Å; V53-I104 HydrophobicContact CG1-CD1 3.37Å; V53-I104 HydrophobicContact CG1-CG1 4.24Å; V53-I104 HydrophobicContact CG2-CD1 4.48Å
54	V	98.3	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.2	-176.2	179.9	0	0	0	0	109.4	I38 V39 A52 N59 V60 L157 I361 A364 W365	I38-V54 WeakPolarHBondContact CA-O 3.29Å; V39-V54 PolarHBondContact N-O 3.35Å; V39-V54 PolarHBondContact O-N 3.03Å; A52-V54 HydrophobicContact CB-CG2 4.45Å; V54-N59 WeakPolarHBondContact CA-O 3.46Å; V54-V60 HydrophobicContact CG2-CG2 4.4Å; V54-L157 HydrophobicContact CG1-CD1 4.19Å; V54-I361 HydrophobicContact CG2-CB 4.49Å; V54-I361 HydrophobicContact CG2-CG2 4.04Å; V54-A364 HydrophobicContact CB-CB 3.76Å; V54-A364 HydrophobicContact CG2-CB 3.57Å; V54-W365 HydrophobicContact CG1-CE3 4.19Å
55	D	96.3	Very high	96.3	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.048	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	168.6	172.8	76.1	23.7	0	0	0	112.2	K37 I38 T57 G58 N59 L61	K37-D55 CarbonylContact O-C 3.49Å; K37-D55 WeakPolarHBondContact O-CA 3.47Å; I38-D55 HydrophobicContact CG1-CB 4.23Å; D55-T57 PolarHBondContact O-N 3.1Å; D55-T57 WeakPolarHBondContact OD1-CA 3.47Å; D55-T57 WeakPolarHBondContact OD1-CB 3.2Å; D55-T57 PolarHBondContact OD1-N 2.85Å; D55-T57 PolarHBondContact OD1-OG1 3.2Å; D55-T57 PolarHBondContact OD2-OG1 3.4Å; D55-G58 PolarHBondContact O-N 3.07Å; D55-G58 VanDerWaalsContact O-N 3.07Å; D55-G58 PolarHBondContact OD1-N 3.46Å; D55-N59 PolarHBondContact N-O 3.34Å; D55-N59 PolarHBondContact OD1-N 3.48Å; D55-N59 WeakPolarHBondContact OD2-CB 3.46Å; D55-N59 PolarHBondContact OD2-ND2 3.36Å; D55-L61 HydrophobicContact CB-CD1 4.3Å
56	E	94.3	Very high	96.3	Very high	43 Å²	43	30 Å²	30	20%	0.201	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.7	-178.1	79.1	-176.7	133	0	0	113.2	H36 K37 G58 I368 R372	H36-E56 WeakPolarHBondContact CA-OE1 3.33Å; H36-E56 HydrophobicContact CB-CG 3.98Å; H36-E56 WeakPolarHBondContact CB-OE1 3.19Å; H36-E56 IonicContact CE1-OE1 3.75Å; H36-E56 IonicContact CG-OE1 2.63Å; H36-E56 IonicContact ND1-OE1 3.14Å; H36-E56 PolarHBondContact ND1-OE1 3.02Å; K37-E56 HydrophobicContact CB-CB 4.2Å; K37-E56 PolarHBondContact N-OE1 3.07Å; K37-E56 PolarHBondContact O-N 3.33Å; E56-G58 PolarHBondContact O-N 3.44Å; E56-I368 HydrophobicContact CB-CD1 4.34Å; E56-I368 HydrophobicContact CB-CG2 4.23Å; E56-R372 PolarHBondContact O-NH2 3.03Å
57	T	93.5	Very high	96.2	Very high	79 Å²	79	31.2 Å²	31.2	49%	0.485	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-10	179.3	72.2	0	0	0	0	112.7	D55 N59	D55-T57 PolarHBondContact O-N 3.1Å; D55-T57 WeakPolarHBondContact OD1-CA 3.47Å; D55-T57 WeakPolarHBondContact OD1-CB 3.2Å; D55-T57 PolarHBondContact OD1-N 2.85Å; D55-T57 PolarHBondContact OD1-OG1 3.2Å; D55-T57 PolarHBondContact OD2-OG1 3.4Å; T57-N59 PolarHBondContact OG1-ND2 2.82Å
58	G	93.4	Very high	96.2	Very high	14 Å²	14	30.1 Å²	30.1	14%	0.144	17%	0.17	C	C	.	.	S	Bend	trans	96.2	10.7	-179.5	0	0	0	0	0	113.4	D55 E56 L157	D55-G58 PolarHBondContact O-N 3.07Å; D55-G58 VanDerWaalsContact O-N 3.07Å; D55-G58 PolarHBondContact OD1-N 3.46Å; E56-G58 PolarHBondContact O-N 3.44Å; G58-L157 VanDerWaalsContact CA-CD1 3.46Å; G58-L157 WeakPolarHBondContact O-CD1 3.4Å
59	N	95.9	Very high	95.5	Very high	87 Å²	87	32.4 Å²	32.4	47%	0.465	19%	0.185	S	C	.	.			trans	-75	131.8	174.6	-56	-46.4	0	0	0	109.9	V54 D55 T57 L61	V54-N59 WeakPolarHBondContact CA-O 3.46Å; D55-N59 PolarHBondContact N-O 3.34Å; D55-N59 PolarHBondContact OD1-N 3.48Å; D55-N59 WeakPolarHBondContact OD2-CB 3.46Å; D55-N59 PolarHBondContact OD2-ND2 3.36Å; T57-N59 PolarHBondContact OG1-ND2 2.82Å; N59-L61 HydrophobicContact CB-CD2 4.17Å; N59-L61 PolarHBondContact O-N 2.96Å
60	V	97.4	Very high	94.5	Very high	49 Å²	49	38.6 Å²	38.6	30%	0.297	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.9	169	-176.8	0	0	0	0	107.4	V54 E63 I361	V54-V60 HydrophobicContact CG2-CG2 4.4Å; V60-E63 HydrophobicContact CG1-CB 4.09Å; V60-E63 HydrophobicContact CG1-CG 4.3Å; V60-I361 HydrophobicContact CB-CD1 4.49Å; V60-I361 HydrophobicContact CG1-CD1 3.99Å; V60-I361 HydrophobicContact CG1-CG1 4Å; V60-I361 HydrophobicContact CG2-CD1 3.7Å; V60-I361 HydrophobicContact CG2-CG1 3.92Å; V60-I361 HydrophobicContact CG2-CG2 3.92Å
61	L	97.6	Very high	93.8	Very high	47 Å²	47	41.3 Å²	41.3	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-38.8	-178.9	-56.2	-176.2	0	0	0	110.8	I38 V53 D55 N59 S102 I104	I38-L61 HydrophobicContact CD1-CD1 4.32Å; I38-L61 HydrophobicContact CG1-CD1 4.49Å; I38-L61 HydrophobicContact CG2-CD1 4.13Å; V53-L61 HydrophobicContact CB-CB 4.38Å; V53-L61 HydrophobicContact CG1-CB 4.1Å; V53-L61 HydrophobicContact CG1-CD1 4.09Å; V53-L61 HydrophobicContact CG1-CG 4.49Å; V53-L61 PolarHBondContact O-N 3.39Å; D55-L61 HydrophobicContact CB-CD1 4.3Å; N59-L61 HydrophobicContact CB-CD2 4.17Å; N59-L61 PolarHBondContact O-N 2.96Å; L61-S102 VanDerWaalsContact O-CA 3.29Å; L61-S102 WeakPolarHBondContact O-CA 3.36Å; L61-I104 HydrophobicContact CD1-CG2 3.86Å
62	G	97.8	Very high	92.7	Very high	5 Å²	5	41.7 Å²	41.7	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	149.2	175.4	0	0	0	0	0	111.2	A52 V53	A52-G62 CarbonylContact C-O 3.5Å; A52-G62 VanDerWaalsContact CA-O 3.26Å; A52-G62 WeakPolarHBondContact CA-O 2.88Å; V53-G62 PolarHBondContact N-O 3.36Å; V53-G62 PolarHBondContact O-N 3.34Å
63	E	98	Very high	91.3	Very high	67 Å²	67	47.8 Å²	47.8	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.5	178.6	67.9	-176.6	134.3	0	0	110.6	A51 A52 V60 R354 I361	A51-E63 CarbonylContact O-C 3.58Å; A51-E63 WeakPolarHBondContact O-CA 3.44Å; A52-E63 HydrophobicContact CB-CB 3.88Å; V60-E63 HydrophobicContact CG1-CB 4.09Å; V60-E63 HydrophobicContact CG1-CG 4.3Å; E63-R354 IonicContact OE1-CZ 3.52Å; E63-R354 IonicContact OE1-NH1 2.72Å; E63-R354 PolarHBondContact OE1-NH1 2.98Å; E63-R354 IonicContact OE1-NH2 3.43Å; E63-R354 PolarHBondContact OE1-NH2 3.21Å; E63-R354 IonicContact OE2-CZ 3.85Å; E63-R354 IonicContact OE2-NH1 2.83Å; E63-R354 PolarHBondContact OE2-NH1 2.87Å; E63-R354 IonicContact OE2-NH2 2.74Å; E63-R354 PolarHBondContact OE2-NH2 3.31Å; E63-I361 WeakPolarHBondContact OE2-CD1 3.44Å
64	A	98.1	Very high	90.1	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.1	170.3	0	0	0	0	0	109.5	A50 A51 I94 E97 A98	A50-A64 WeakPolarHBondContact CA-O 3.49Å; A51-A64 PolarHBondContact N-O 2.81Å; A51-A64 PolarHBondContact O-N 3.28Å; A64-I94 HydrophobicContact CB-CD1 4.03Å; A64-I94 HydrophobicContact CB-CG2 4.02Å; A64-I94 WeakPolarHBondContact CB-O 3.39Å; A64-I94 WeakPolarHBondContact O-CG2 3.43Å; A64-E97 HydrophobicContact CB-CB 3.63Å; A64-A98 HydrophobicContact CB-CB 4.32Å
65	I	97	Very high	88.7	Confident	89 Å²	89	58.9 Å²	58.9	46%	0.456	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.5	178.1	-173.6	164.9	0	0	0	110.1	D48 T49 A50	D48-I65 HydrophobicContact CB-CD1 4.28Å; T49-I65 CarbonylContact O-C 3.54Å; T49-I65 WeakPolarHBondContact O-CA 3.04Å; A50-I65 HydrophobicContact CB-CB 4.23Å; A50-I65 HydrophobicContact CB-CD1 4.2Å; A50-I65 HydrophobicContact CB-CG1 3.99Å
66	H	95.8	Very high	87.2	Confident	55 Å²	55	60.9 Å²	60.9	26%	0.255	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.6	164.2	-178.9	75.3	0	0	0	108.6	T49 N90 I94	T49-H66 PolarHBondContact N-O 2.99Å; T49-H66 PolarHBondContact O-N 2.95Å; H66-N90 HydrophobicContact CB-CB 4.29Å; H66-N90 VanDerWaalsContact CD2-CG 3.45Å; H66-N90 PolarHBondContact CD2-ND2 2.89Å; H66-N90 VanDerWaalsContact CD2-ND2 3.27Å; H66-N90 PolarHBondContact NE2-ND2 3.35Å; H66-I94 HydrophobicContact CB-CD1 3.83Å; H66-I94 HydrophobicContact CB-CG1 3.98Å
67	S	91.4	Very high	86.2	Confident	57 Å²	57	60.5 Å²	60.5	40%	0.399	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.2	177.7	-172.7	0	0	0	0	111.8	D48 T69	D48-S67 WeakPolarHBondContact OD1-CA 3.42Å; D48-S67 WeakPolarHBondContact OD1-CB 3.21Å; D48-S67 PolarHBondContact OD1-OG 3.46Å; S67-T69 PolarHBondContact OG-N 3.18Å; S67-T69 PolarHBondContact OG-OG1 3.44Å; S67-T69 VanDerWaalsContact OG-OG1 3.13Å
68	Q	88.4	Confident	85.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.343	C	S	.	.			trans	-94.6	7	178.2	-52.6	162.8	17	0	0	112.3	D47 E70 V71 H72 A83 L86 H87	D47-Q68 HydrophobicContact CB-CB 4.22Å; D47-Q68 WeakPolarHBondContact O-CB 3.24Å; D47-Q68 WeakPolarHBondContact O-CG 3.38Å; D47-Q68 PolarHBondContact O-N 3.07Å; Q68-E70 VanDerWaalsContact C-N 3.31Å; Q68-E70 PolarHBondContact O-N 3.19Å; Q68-V71 WeakPolarHBondContact O-CB 2.98Å; Q68-V71 PolarHBondContact O-N 3.38Å; Q68-H72 PolarHBondContact O-N 3.17Å; Q68-H72 VanDerWaalsContact O-N 3.09Å; Q68-H72 PolarHBondContact OE1-NE2 2.99Å; Q68-A83 PolarHBondContact NE2-O 2.94Å; Q68-L86 HydrophobicContact CB-CD1 3.95Å; Q68-L86 HydrophobicContact CG-CB 3.91Å; Q68-L86 HydrophobicContact CG-CD1 3.66Å; Q68-L86 HydrophobicContact CG-CG 4.41Å; Q68-H87 PolarHBondContact NE2-CE1 3.44Å; Q68-H87 PolarHBondContact NE2-ND1 2.87Å
69	T	79.4	Confident	85.4	Confident	65 Å²	65	62.2 Å²	62.2	40%	0.399	35%	0.352	S	S	.	.	H	α-helix	trans	-50.9	-46.5	-175.8	-68.5	0	0	0	0	112.3	S67 V71 H72 L73	S67-T69 PolarHBondContact OG-N 3.18Å; S67-T69 PolarHBondContact OG-OG1 3.44Å; S67-T69 VanDerWaalsContact OG-OG1 3.13Å; T69-V71 VanDerWaalsContact C-N 3.31Å; T69-V71 PolarHBondContact O-N 3.3Å; T69-H72 PolarHBondContact O-N 3.32Å; T69-L73 HydrophobicContact CG2-CD1 3.7Å; T69-L73 HydrophobicContact CG2-CG 4.04Å; T69-L73 WeakPolarHBondContact O-CB 3.25Å; T69-L73 WeakPolarHBondContact O-CG 3.09Å; T69-L73 PolarHBondContact O-N 3.24Å
70	E	78	Confident	85.2	Confident	131 Å²	131	60.8 Å²	60.8	61%	0.612	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-36.9	-178.8	-161.8	-163.1	145.7	0	0	112.7	Q68 K74	Q68-E70 VanDerWaalsContact C-N 3.31Å; Q68-E70 PolarHBondContact O-N 3.19Å; E70-K74 WeakPolarHBondContact O-CG 3.38Å; E70-K74 PolarHBondContact O-N 2.95Å; E70-K74 WeakPolarHBondContact OE1-CE 3.41Å; E70-K74 IonicContact OE1-NZ 2.73Å; E70-K74 PolarHBondContact OE1-NZ 2.92Å
71	V	82.1	Confident	85	Confident	59 Å²	59	61.4 Å²	61.4	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-46.5	178.2	-179.8	0	0	0	0	109.9	Q68 T69 K74 T75 V82 L86	Q68-V71 WeakPolarHBondContact O-CB 2.98Å; Q68-V71 PolarHBondContact O-N 3.38Å; T69-V71 VanDerWaalsContact C-N 3.31Å; T69-V71 PolarHBondContact O-N 3.3Å; V71-K74 PolarHBondContact O-N 3.02Å; V71-T75 PolarHBondContact O-N 3.18Å; V71-V82 HydrophobicContact CG1-CG1 4.09Å; V71-L86 HydrophobicContact CB-CD1 4.28Å; V71-L86 HydrophobicContact CG1-CD1 4.12Å; V71-L86 HydrophobicContact CG2-CD1 4.2Å
72	H	76.1	Confident	84.8	Confident	7 Å²	7	61.8 Å²	61.8	3%	0.032	36%	0.362	C	S	.	.	H	α-helix	trans	-77	-25.8	-176.2	-71.6	-49	0	0	0	114.1	Q68 T69 K74 T75 G76 G77 I78 V79	Q68-H72 PolarHBondContact O-N 3.17Å; Q68-H72 VanDerWaalsContact O-N 3.09Å; Q68-H72 PolarHBondContact OE1-NE2 2.99Å; T69-H72 PolarHBondContact O-N 3.32Å; H72-K74 VanDerWaalsContact C-N 3.31Å; H72-K74 PolarHBondContact O-N 3.26Å; H72-T75 WeakPolarHBondContact CA-OG1 3.44Å; H72-T75 PolarHBondContact O-N 3.38Å; H72-T75 PolarHBondContact O-OG1 3.21Å; H72-G76 PolarHBondContact O-N 3.42Å; H72-G77 PolarHBondContact ND1-O 2.91Å; H72-G77 PolarHBondContact O-N 3.34Å; H72-I78 HydrophobicContact CB-CG1 4.22Å; H72-V79 PolarHBondContact CE1-N 2.8Å; H72-V79 PolarHBondContact ND1-N 2.82Å
73	L	69.4	Low	84.6	Confident	128 Å²	128	61.5 Å²	61.5	67%	0.67	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-41.7	168.7	-77	173.2	0	0	0	111.2	T69 T75 G76	T69-L73 HydrophobicContact CG2-CD1 3.7Å; T69-L73 HydrophobicContact CG2-CG 4.04Å; T69-L73 WeakPolarHBondContact O-CB 3.25Å; T69-L73 WeakPolarHBondContact O-CG 3.09Å; T69-L73 PolarHBondContact O-N 3.24Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 2.69Å; L73-G76 PolarHBondContact O-N 2.85Å
74	K	72.8	Confident	84.6	Confident	157 Å²	157	60 Å²	60	68%	0.683	35%	0.353	S	S	*	.	H	α-helix	trans	-67	-29.7	177.8	-68.3	172.4	-171.7	167.5	0	112.8	E70 V71 H72	E70-K74 WeakPolarHBondContact O-CG 3.38Å; E70-K74 PolarHBondContact O-N 2.95Å; E70-K74 WeakPolarHBondContact OE1-CE 3.41Å; E70-K74 IonicContact OE1-NZ 2.73Å; E70-K74 PolarHBondContact OE1-NZ 2.92Å; V71-K74 PolarHBondContact O-N 3.02Å; H72-K74 VanDerWaalsContact C-N 3.31Å; H72-K74 PolarHBondContact O-N 3.26Å
75	T	70.4	Confident	84.5	Confident	77 Å²	77	63.5 Å²	63.5	47%	0.472	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.5	178.7	57	0	0	0	0	114	V71 H72 L73 G77	V71-T75 PolarHBondContact O-N 3.18Å; H72-T75 WeakPolarHBondContact CA-OG1 3.44Å; H72-T75 PolarHBondContact O-N 3.38Å; H72-T75 PolarHBondContact O-OG1 3.21Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 2.69Å; T75-G77 VanDerWaalsContact C-N 3.28Å; T75-G77 PolarHBondContact O-N 3.48Å; T75-G77 PolarHBondContact OG1-O 3.08Å
76	G	65.1	Low	84.5	Confident	51 Å²	51	60.8 Å²	60.8	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	14.2	-180	0	0	0	0	0	114.7	H72 L73	H72-G76 PolarHBondContact O-N 3.42Å; L73-G76 PolarHBondContact O-N 2.85Å
77	G	71.4	Confident	84.6	Confident	34 Å²	34	58.1 Å²	58.1	35%	0.351	34%	0.341	S	S	.	.	S	Bend	trans	151.4	173.7	-177.8	0	0	0	0	0	113.2	H72 T75 V79	H72-G77 PolarHBondContact ND1-O 2.91Å; H72-G77 PolarHBondContact O-N 3.34Å; T75-G77 VanDerWaalsContact C-N 3.28Å; T75-G77 PolarHBondContact O-N 3.48Å; T75-G77 PolarHBondContact OG1-O 3.08Å; G77-V79 PolarHBondContact O-N 3.07Å
78	I	82.4	Confident	84.9	Confident	71 Å²	71	61.6 Å²	61.6	36%	0.364	35%	0.345	S	S	.	.			trans	-73.6	123.4	-178.2	-61.2	162.5	0	0	0	110.3	C46 D47 H72 A83 L120	C46-I78 WeakPolarHBondContact SG-CD1 3.43Å; D47-I78 HydrophobicContact CB-CD1 4.14Å; D47-I78 HydrophobicContact CB-CG1 4.24Å; H72-I78 HydrophobicContact CB-CG1 4.22Å; I78-A83 HydrophobicContact CG2-CB 4.27Å; I78-L120 HydrophobicContact CG2-CD1 3.82Å
79	V	89.1	Confident	85.4	Confident	58 Å²	58	66.4 Å²	66.4	35%	0.352	37%	0.371	S	S	.	.			trans	-102.9	109.3	175	-179.5	0	0	0	0	108.3	H72 G77 A81 V82 A83	H72-V79 PolarHBondContact CE1-N 2.8Å; H72-V79 PolarHBondContact ND1-N 2.82Å; G77-V79 PolarHBondContact O-N 3.07Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.1Å; V79-A81 VanDerWaalsContact O-N 3.14Å; V79-V82 HydrophobicContact CB-CB 4.11Å; V79-V82 HydrophobicContact CB-CG2 3.96Å; V79-V82 HydrophobicContact CG1-CB 4.33Å; V79-V82 HydrophobicContact CG1-CG2 3.8Å; V79-V82 WeakPolarHBondContact O-CB 3.36Å; V79-V82 PolarHBondContact O-N 2.65Å; V79-A83 PolarHBondContact O-N 2.86Å
80	P	90.8	Very high	86.2	Confident	58 Å²	58	64.3 Å²	64.3	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-35.7	-168.6	-29.9	36	0	0	0	115.6	Q84 L122	P80-Q84 WeakPolarHBondContact O-CB 3.36Å; P80-Q84 PolarHBondContact O-N 3.37Å; P80-L122 HydrophobicContact CB-CD1 4.29Å
81	A	93.4	Very high	87.2	Confident	61 Å²	61	58.4 Å²	58.4	50%	0.504	33%	0.33	S	S	.	.	H	α-helix	trans	-69.5	-37.1	177.9	0	0	0	0	0	112.4	V79 Q85	V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.1Å; V79-A81 VanDerWaalsContact O-N 3.14Å; A81-Q85 PolarHBondContact O-N 3.2Å; A81-Q85 VanDerWaalsContact O-N 3.15Å
82	V	93.6	Very high	88	Confident	55 Å²	55	58.4 Å²	58.4	33%	0.333	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-45.8	175.3	176.4	0	0	0	0	109.7	V71 V79 Q84 Q85 L86	V71-V82 HydrophobicContact CG1-CG1 4.09Å; V79-V82 HydrophobicContact CB-CB 4.11Å; V79-V82 HydrophobicContact CB-CG2 3.96Å; V79-V82 HydrophobicContact CG1-CB 4.33Å; V79-V82 HydrophobicContact CG1-CG2 3.8Å; V79-V82 WeakPolarHBondContact O-CB 3.36Å; V79-V82 PolarHBondContact O-N 2.65Å; V82-Q84 VanDerWaalsContact C-N 3.32Å; V82-Q84 PolarHBondContact O-N 2.72Å; V82-Q85 PolarHBondContact O-N 2.85Å; V82-Q85 VanDerWaalsContact O-N 3.11Å; V82-L86 HydrophobicContact CG1-CD1 3.91Å; V82-L86 HydrophobicContact CG1-CG 4.4Å; V82-L86 WeakPolarHBondContact O-CG 3.37Å; V82-L86 PolarHBondContact O-N 3.44Å
83	A	94.3	Very high	89	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-44.9	177.7	0	0	0	0	0	111.9	Q68 I78 V79 Q85 L86 H87	Q68-A83 PolarHBondContact NE2-O 2.94Å; I78-A83 HydrophobicContact CG2-CB 4.27Å; V79-A83 PolarHBondContact O-N 2.86Å; A83-Q85 VanDerWaalsContact C-N 3.34Å; A83-Q85 PolarHBondContact O-N 3.05Å; A83-L86 PolarHBondContact O-N 3.08Å; A83-H87 PolarHBondContact O-CD2 2.73Å; A83-H87 PolarHBondContact O-N 3.27Å
84	Q	96.8	Very high	90.4	Very high	36 Å²	36	56.3 Å²	56.3	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-56	-47.4	173.8	175.4	176.1	69	0	0	112.5	P80 V82 H87 R88 L122 V126	P80-Q84 WeakPolarHBondContact O-CB 3.36Å; P80-Q84 PolarHBondContact O-N 3.37Å; V82-Q84 VanDerWaalsContact C-N 3.32Å; V82-Q84 PolarHBondContact O-N 2.72Å; Q84-H87 PolarHBondContact O-N 3.35Å; Q84-R88 VanDerWaalsContact NE2-NH2 3.13Å; Q84-R88 WeakPolarHBondContact O-CG 3.22Å; Q84-R88 PolarHBondContact O-N 2.89Å; Q84-R88 VanDerWaalsContact O-N 3.07Å; Q84-L122 HydrophobicContact CB-CB 3.9Å; Q84-L122 HydrophobicContact CG-CB 4.21Å; Q84-L122 PolarHBondContact NE2-O 2.88Å; Q84-L122 VanDerWaalsContact NE2-O 3.08Å; Q84-V126 HydrophobicContact CG-CG2 3.93Å
85	Q	96.8	Very high	91.6	Very high	84 Å²	84	48.9 Å²	48.9	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-45	-178.3	-174.6	54.5	44.2	0	0	110.8	A81 V82 A83 H87 R88 D89	A81-Q85 PolarHBondContact O-N 3.2Å; A81-Q85 VanDerWaalsContact O-N 3.15Å; V82-Q85 PolarHBondContact O-N 2.85Å; V82-Q85 VanDerWaalsContact O-N 3.11Å; A83-Q85 VanDerWaalsContact C-N 3.34Å; A83-Q85 PolarHBondContact O-N 3.05Å; Q85-H87 VanDerWaalsContact C-N 3.34Å; Q85-H87 PolarHBondContact O-N 3.3Å; Q85-R88 WeakPolarHBondContact O-CB 3.46Å; Q85-R88 PolarHBondContact O-N 3.49Å; Q85-R88 VanDerWaalsContact O-N 3.08Å; Q85-D89 PolarHBondContact NE2-OD1 3.23Å; Q85-D89 PolarHBondContact NE2-OD2 2.94Å; Q85-D89 VanDerWaalsContact O-CG 3.28Å; Q85-D89 PolarHBondContact O-N 3.28Å
86	L	96.6	Very high	92.8	Very high	32 Å²	32	48 Å²	48	17%	0.168	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-38.1	177	-68.5	172.2	0	0	0	112.6	Q68 V71 V82 A83 D89 N90	Q68-L86 HydrophobicContact CB-CD1 3.95Å; Q68-L86 HydrophobicContact CG-CB 3.91Å; Q68-L86 HydrophobicContact CG-CD1 3.66Å; Q68-L86 HydrophobicContact CG-CG 4.41Å; V71-L86 HydrophobicContact CB-CD1 4.28Å; V71-L86 HydrophobicContact CG1-CD1 4.12Å; V71-L86 HydrophobicContact CG2-CD1 4.2Å; V82-L86 HydrophobicContact CG1-CD1 3.91Å; V82-L86 HydrophobicContact CG1-CG 4.4Å; V82-L86 WeakPolarHBondContact O-CG 3.37Å; V82-L86 PolarHBondContact O-N 3.44Å; A83-L86 PolarHBondContact O-N 3.08Å; L86-D89 PolarHBondContact O-N 3.07Å; L86-N90 WeakPolarHBondContact O-CB 3.39Å; L86-N90 PolarHBondContact O-N 2.98Å; L86-N90 VanDerWaalsContact O-N 3.16Å; L86-N90 PolarHBondContact O-ND2 3.45Å
87	H	98.3	Very high	94.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-44.6	171.3	-70.9	-57.1	0	0	0	111.9	C46 D48 T49 Q68 A83 Q84 Q85 D89 N90 I91 S123 V126	C46-H87 PolarHBondContact O-NE2 3.43Å; D48-H87 PolarHBondContact O-CE1 3.24Å; D48-H87 VanDerWaalsContact O-CE1 3.26Å; T49-H87 PolarHBondContact OG1-ND1 3Å; Q68-H87 PolarHBondContact NE2-CE1 3.44Å; Q68-H87 PolarHBondContact NE2-ND1 2.87Å; A83-H87 PolarHBondContact O-CD2 2.73Å; A83-H87 PolarHBondContact O-N 3.27Å; Q84-H87 PolarHBondContact O-N 3.35Å; Q85-H87 VanDerWaalsContact C-N 3.34Å; Q85-H87 PolarHBondContact O-N 3.3Å; H87-D89 VanDerWaalsContact C-N 3.3Å; H87-D89 PolarHBondContact O-N 2.95Å; H87-N90 PolarHBondContact O-N 2.79Å; H87-I91 VanDerWaalsContact O-CB 3.22Å; H87-I91 WeakPolarHBondContact O-CB 3.4Å; H87-I91 WeakPolarHBondContact O-CG2 3.44Å; H87-I91 PolarHBondContact O-N 2.98Å; H87-S123 VanDerWaalsContact CD2-CB 3.44Å; H87-S123 WeakPolarHBondContact CD2-CB 3.23Å; H87-S123 PolarHBondContact CD2-OG 2.79Å; H87-S123 WeakPolarHBondContact NE2-CB 3.36Å; H87-S123 PolarHBondContact NE2-OG 3.48Å; H87-V126 HydrophobicContact CB-CB 4.12Å; H87-V126 HydrophobicContact CB-CG1 3.85Å; H87-V126 HydrophobicContact CB-CG2 4.33Å
88	R	97.8	Very high	95.6	Very high	129 Å²	129	47.8 Å²	47.8	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-40.2	179.8	-72.1	176.9	-175.1	170.6	3.2	112	Q84 Q85 N90 V126	Q84-R88 VanDerWaalsContact NE2-NH2 3.13Å; Q84-R88 WeakPolarHBondContact O-CG 3.22Å; Q84-R88 PolarHBondContact O-N 2.89Å; Q84-R88 VanDerWaalsContact O-N 3.07Å; Q85-R88 WeakPolarHBondContact O-CB 3.46Å; Q85-R88 PolarHBondContact O-N 3.49Å; Q85-R88 VanDerWaalsContact O-N 3.08Å; R88-N90 VanDerWaalsContact C-N 3.31Å; R88-V126 HydrophobicContact CG-CG1 3.97Å; R88-V126 HydrophobicContact CG-CG2 3.7Å
89	D	97.8	Very high	96.3	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-72.5	-27.4	-177.1	-65.3	-24.3	0	0	0	112.2	Q85 L86 H87	Q85-D89 PolarHBondContact NE2-OD1 3.23Å; Q85-D89 PolarHBondContact NE2-OD2 2.94Å; Q85-D89 VanDerWaalsContact O-CG 3.28Å; Q85-D89 PolarHBondContact O-N 3.28Å; L86-D89 PolarHBondContact O-N 3.07Å; H87-D89 VanDerWaalsContact C-N 3.3Å; H87-D89 PolarHBondContact O-N 2.95Å
90	N	98.1	Very high	96.6	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-108.2	-26.2	-172.2	-70.7	-76.3	0	0	0	115.3	T49 H66 L86 H87 R88 Q92 R93 I94	T49-N90 HydrophobicContact CG2-CB 4.47Å; H66-N90 HydrophobicContact CB-CB 4.29Å; H66-N90 VanDerWaalsContact CD2-CG 3.45Å; H66-N90 PolarHBondContact CD2-ND2 2.89Å; H66-N90 VanDerWaalsContact CD2-ND2 3.27Å; H66-N90 PolarHBondContact NE2-ND2 3.35Å; L86-N90 WeakPolarHBondContact O-CB 3.39Å; L86-N90 PolarHBondContact O-N 2.98Å; L86-N90 VanDerWaalsContact O-N 3.16Å; L86-N90 PolarHBondContact O-ND2 3.45Å; H87-N90 PolarHBondContact O-N 2.79Å; R88-N90 VanDerWaalsContact C-N 3.31Å; N90-Q92 VanDerWaalsContact C-N 3.32Å; N90-Q92 PolarHBondContact O-N 3.4Å; N90-R93 PolarHBondContact O-N 2.75Å; N90-R93 VanDerWaalsContact O-N 3.08Å; N90-R93 PolarHBondContact OD1-NH2 2.78Å; N90-I94 HydrophobicContact CB-CG1 4.32Å; N90-I94 WeakPolarHBondContact O-CG1 3.36Å; N90-I94 PolarHBondContact O-N 2.93Å
91	I	98.4	Very high	96.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-42.3	-168.8	-170.9	167.1	0	0	0	113.5	I42 T44 T49 H87 I94 V95 V126 F130	I42-I91 HydrophobicContact CG2-CD1 4.3Å; T44-I91 HydrophobicContact CG2-CD1 4.04Å; T49-I91 HydrophobicContact CG2-CB 4.07Å; T49-I91 HydrophobicContact CG2-CG1 4.41Å; H87-I91 VanDerWaalsContact O-CB 3.22Å; H87-I91 WeakPolarHBondContact O-CB 3.4Å; H87-I91 WeakPolarHBondContact O-CG2 3.44Å; H87-I91 PolarHBondContact O-N 2.98Å; I91-I94 PolarHBondContact O-N 3.33Å; I91-V95 HydrophobicContact CG1-CG2 4.4Å; I91-V95 WeakPolarHBondContact O-CG2 3.24Å; I91-V95 PolarHBondContact O-N 3.4Å; I91-V126 HydrophobicContact CD1-CG1 4.22Å; I91-V126 HydrophobicContact CG2-CG1 4.21Å; I91-F130 HydrophobicContact CD1-CB 3.52Å; I91-F130 HydrophobicContact CD1-CD1 3.94Å; I91-F130 HydrophobicContact CD1-CD2 4.39Å; I91-F130 HydrophobicContact CD1-CG 3.69Å; I91-F130 HydrophobicContact CG1-CB 4.27Å; I91-F130 HydrophobicContact CG1-CD1 4Å; I91-F130 HydrophobicContact CG1-CD2 4.24Å; I91-F130 HydrophobicContact CG1-CE1 4.45Å; I91-F130 HydrophobicContact CG1-CG 3.9Å; I91-F130 HydrophobicContact CG2-CD2 3.92Å; I91-F130 HydrophobicContact CG2-CE2 4.45Å; I91-F130 HydrophobicContact CG2-CG 4.28Å
92	Q	97.8	Very high	97	Very high	58 Å²	58	41.8 Å²	41.8	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-47.6	178.6	178.7	173	-17.5	0	0	111.2	K18 N90 Q96 F130	K18-Q92 PolarHBondContact O-NE2 3.45Å; N90-Q92 VanDerWaalsContact C-N 3.32Å; N90-Q92 PolarHBondContact O-N 3.4Å; Q92-Q96 WeakPolarHBondContact O-CB 3.35Å; Q92-Q96 PolarHBondContact O-N 3.12Å; Q92-F130 HydrophobicContact CB-CE2 4.01Å; Q92-F130 HydrophobicContact CG-CE2 4.46Å
93	R	97.9	Very high	97.1	Very high	92 Å²	92	49.5 Å²	49.5	35%	0.347	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-46.6	179.2	179.3	-177.6	63.1	75.7	1.6	110.9	N90 Q96 E97	N90-R93 PolarHBondContact O-N 2.75Å; N90-R93 VanDerWaalsContact O-N 3.08Å; N90-R93 PolarHBondContact OD1-NH2 2.78Å; R93-Q96 WeakPolarHBondContact O-CB 3.35Å; R93-Q96 PolarHBondContact O-N 3.17Å; R93-E97 WeakPolarHBondContact CD-OE1 3.48Å; R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 WeakPolarHBondContact CG-OE1 3.45Å; R93-E97 IonicContact CZ-OE1 3.72Å; R93-E97 IonicContact NE-OE1 3.98Å; R93-E97 IonicContact NH1-OE1 2.72Å; R93-E97 PolarHBondContact NH1-OE1 2.76Å; R93-E97 IonicContact NH1-OE2 3.03Å; R93-E97 PolarHBondContact NH1-OE2 3.03Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 3.24Å
94	I	98.4	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-44.4	-178.2	-70	-60.1	0	0	0	112.1	T49 A51 A64 H66 N90 I91 Q96 E97 A98	T49-I94 HydrophobicContact CG2-CB 4.36Å; T49-I94 HydrophobicContact CG2-CG1 4.33Å; T49-I94 HydrophobicContact CG2-CG2 4.47Å; A51-I94 HydrophobicContact CB-CG2 3.9Å; A64-I94 HydrophobicContact CB-CD1 4.03Å; A64-I94 HydrophobicContact CB-CG2 4.02Å; A64-I94 WeakPolarHBondContact CB-O 3.39Å; A64-I94 WeakPolarHBondContact O-CG2 3.43Å; H66-I94 HydrophobicContact CB-CD1 3.83Å; H66-I94 HydrophobicContact CB-CG1 3.98Å; N90-I94 HydrophobicContact CB-CG1 4.32Å; N90-I94 WeakPolarHBondContact O-CG1 3.36Å; N90-I94 PolarHBondContact O-N 2.93Å; I91-I94 PolarHBondContact O-N 3.33Å; I94-Q96 VanDerWaalsContact C-N 3.29Å; I94-Q96 PolarHBondContact O-N 2.95Å; I94-E97 PolarHBondContact O-N 3.04Å; I94-A98 PolarHBondContact O-N 3.43Å
95	V	98.3	Very high	96.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-37.3	175.6	172	0	0	0	0	111.2	L40 I42 A51 I91 L99 F130 L134	L40-V95 HydrophobicContact CD2-CG1 4.03Å; I42-V95 HydrophobicContact CD1-CG2 3.95Å; I42-V95 HydrophobicContact CG1-CG2 4.08Å; A51-V95 HydrophobicContact CB-CB 4.47Å; A51-V95 HydrophobicContact CB-CG2 3.82Å; I91-V95 HydrophobicContact CG1-CG2 4.4Å; I91-V95 WeakPolarHBondContact O-CG2 3.24Å; I91-V95 PolarHBondContact O-N 3.4Å; V95-L99 HydrophobicContact CG1-CD1 3.84Å; V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 3.36Å; V95-F130 HydrophobicContact CB-CE1 3.92Å; V95-F130 HydrophobicContact CB-CZ 4.05Å; V95-F130 HydrophobicContact CG1-CE1 3.95Å; V95-F130 HydrophobicContact CG1-CZ 4.23Å; V95-F130 HydrophobicContact CG2-CD1 4.39Å; V95-F130 HydrophobicContact CG2-CE1 3.67Å; V95-F130 HydrophobicContact CG2-CZ 4.21Å; V95-L134 HydrophobicContact CG1-CD2 4.38Å
96	Q	95.7	Very high	96	Very high	59 Å²	59	46.5 Å²	46.5	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-44.4	175.8	-169.9	171.9	1.6	0	0	112.7	F22 S25 F26 Q92 R93 I94 L99 S100	F22-Q96 HydrophobicContact CD2-CB 4.05Å; F22-Q96 HydrophobicContact CD2-CG 4.01Å; F22-Q96 HydrophobicContact CE2-CB 3.64Å; F22-Q96 HydrophobicContact CE2-CG 3.83Å; S25-Q96 PolarHBondContact OG-NE2 2.95Å; F26-Q96 HydrophobicContact CZ-CG 4.09Å; Q92-Q96 WeakPolarHBondContact O-CB 3.35Å; Q92-Q96 PolarHBondContact O-N 3.12Å; R93-Q96 WeakPolarHBondContact O-CB 3.35Å; R93-Q96 PolarHBondContact O-N 3.17Å; I94-Q96 VanDerWaalsContact C-N 3.29Å; I94-Q96 PolarHBondContact O-N 2.95Å; Q96-L99 PolarHBondContact O-N 3.47Å; Q96-S100 VanDerWaalsContact O-CB 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.41Å; Q96-S100 PolarHBondContact O-N 3.06Å; Q96-S100 PolarHBondContact O-OG 3.37Å
97	E	97.8	Very high	95.6	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-46.2	176.9	-75.5	169.8	-169.5	0	0	111	A64 R93 I94 S100 A101	A64-E97 HydrophobicContact CB-CB 3.63Å; R93-E97 WeakPolarHBondContact CD-OE1 3.48Å; R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 WeakPolarHBondContact CG-OE1 3.45Å; R93-E97 IonicContact CZ-OE1 3.72Å; R93-E97 IonicContact NE-OE1 3.98Å; R93-E97 IonicContact NH1-OE1 2.72Å; R93-E97 PolarHBondContact NH1-OE1 2.76Å; R93-E97 IonicContact NH1-OE2 3.03Å; R93-E97 PolarHBondContact NH1-OE2 3.03Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 3.24Å; I94-E97 PolarHBondContact O-N 3.04Å; E97-S100 PolarHBondContact O-N 2.93Å; E97-A101 VanDerWaalsContact O-CB 3.22Å; E97-A101 WeakPolarHBondContact O-CB 3.37Å; E97-A101 PolarHBondContact O-N 3.01Å
98	A	97.9	Very high	95.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-45.7	178	0	0	0	0	0	112.5	A51 A64 I94 S102	A51-A98 HydrophobicContact CB-CB 3.87Å; A64-A98 HydrophobicContact CB-CB 4.32Å; I94-A98 PolarHBondContact O-N 3.43Å; A98-S102 WeakPolarHBondContact O-CB 3.44Å; A98-S102 PolarHBondContact O-N 3.03Å; A98-S102 PolarHBondContact O-OG 3.1Å
99	L	96.3	Very high	95.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-42.5	177.2	-74.2	166.4	0	0	0	112	F22 F26 L40 V53 V95 Q96 S102 R103 L109	F22-L99 HydrophobicContact CZ-CD1 3.82Å; F26-L99 HydrophobicContact CZ-CB 4.4Å; L40-L99 HydrophobicContact CD1-CD2 4.48Å; L40-L99 HydrophobicContact CD2-CD1 4.4Å; L40-L99 HydrophobicContact CD2-CD2 4.44Å; V53-L99 HydrophobicContact CG2-CD2 3.96Å; V95-L99 HydrophobicContact CG1-CD1 3.84Å; V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 3.36Å; Q96-L99 PolarHBondContact O-N 3.47Å; L99-S102 WeakPolarHBondContact CA-OG 3.4Å; L99-S102 PolarHBondContact O-N 3.37Å; L99-S102 PolarHBondContact O-OG 3.04Å; L99-R103 PolarHBondContact O-N 2.56Å; L99-L109 HydrophobicContact CD2-CD1 4.13Å
100	S	95.9	Very high	95.3	Very high	57 Å²	57	42 Å²	42	40%	0.399	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-42.7	178.5	-55.7	0	0	0	0	111.6	Q96 E97 S102 R103	Q96-S100 VanDerWaalsContact O-CB 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.41Å; Q96-S100 PolarHBondContact O-N 3.06Å; Q96-S100 PolarHBondContact O-OG 3.37Å; E97-S100 PolarHBondContact O-N 2.93Å; S100-S102 VanDerWaalsContact C-N 3.26Å; S100-S102 PolarHBondContact O-N 3Å; S100-R103 PolarHBondContact O-N 2.81Å
101	A	96.8	Very high	95.3	Very high	53 Å²	53	41 Å²	41	44%	0.438	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-37.2	175.2	0	0	0	0	0	111.9	E97 R103	E97-A101 VanDerWaalsContact O-CB 3.22Å; E97-A101 WeakPolarHBondContact O-CB 3.37Å; E97-A101 PolarHBondContact O-N 3.01Å; A101-R103 VanDerWaalsContact C-N 3.3Å; A101-R103 PolarHBondContact O-N 3.38Å
102	S	96.4	Very high	95.3	Very high	11 Å²	11	40.6 Å²	40.6	8%	0.077	21%	0.213	C	C	.	.	H	α-helix	trans	-71.4	-20	-180	70.4	0	0	0	0	115.3	L61 A98 L99 S100 I104	L61-S102 VanDerWaalsContact O-CA 3.29Å; L61-S102 WeakPolarHBondContact O-CA 3.36Å; A98-S102 WeakPolarHBondContact O-CB 3.44Å; A98-S102 PolarHBondContact O-N 3.03Å; A98-S102 PolarHBondContact O-OG 3.1Å; L99-S102 WeakPolarHBondContact CA-OG 3.4Å; L99-S102 PolarHBondContact O-N 3.37Å; L99-S102 PolarHBondContact O-OG 3.04Å; S100-S102 VanDerWaalsContact C-N 3.26Å; S100-S102 PolarHBondContact O-N 3Å; S102-I104 PolarHBondContact O-N 3.03Å; S102-I104 WeakPolarHBondContact OG-CG1 3.4Å
103	R	94.2	Very high	95.3	Very high	216 Å²	216	37.9 Å²	37.9	82%	0.815	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	14.9	-178.4	-53.3	179.6	-176.7	-177.9	0.1	114.9	L99 S100 A101	L99-R103 PolarHBondContact O-N 2.56Å; S100-R103 PolarHBondContact O-N 2.81Å; A101-R103 VanDerWaalsContact C-N 3.3Å; A101-R103 PolarHBondContact O-N 3.38Å
104	I	91.1	Very high	95.4	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	18%	0.184	C	C	.	.			trans	-86.5	151.6	174.1	68.6	170.8	0	0	0	110.2	F34 I38 V53 L61 S102 L109	F34-I104 HydrophobicContact CE2-CG2 4.24Å; I38-I104 HydrophobicContact CD1-CG2 4.42Å; I38-I104 HydrophobicContact CG2-CD1 3.71Å; V53-I104 HydrophobicContact CG1-CD1 3.37Å; V53-I104 HydrophobicContact CG1-CG1 4.24Å; V53-I104 HydrophobicContact CG2-CD1 4.48Å; L61-I104 HydrophobicContact CD1-CG2 3.86Å; S102-I104 PolarHBondContact O-N 3.03Å; S102-I104 WeakPolarHBondContact OG-CG1 3.4Å; I104-L109 HydrophobicContact CD1-CD2 3.48Å; I104-L109 VanDerWaalsContact CD1-CD2 3.48Å; I104-L109 HydrophobicContact CD1-CG 3.99Å
105	S	88.9	Confident	95.4	Very high	37 Å²	37	33.5 Å²	33.5	26%	0.259	18%	0.184	S	C	.	.			trans	-73.8	142.8	167.4	178	0	0	0	0	109.5	S107 D108	S105-S107 VanDerWaalsContact CB-OG 3.31Å; S105-S107 WeakPolarHBondContact CB-OG 3.49Å; S105-S107 PolarHBondContact O-N 3.47Å; S105-S107 PolarHBondContact OG-N 2.87Å; S105-S107 PolarHBondContact OG-OG 3.24Å; S105-D108 VanDerWaalsContact CB-OD2 3.28Å; S105-D108 WeakPolarHBondContact CB-OD2 3.33Å; S105-D108 PolarHBondContact N-OD2 2.94Å; S105-D108 WeakPolarHBondContact O-CB 3.12Å; S105-D108 PolarHBondContact O-N 3.06Å
106	P	86.3	Confident	95.4	Very high	17 Å²	17	33.9 Å²	33.9	11%	0.11	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.6	169.7	-26.4	35	0	0	0	113.8	D108 L138 K140	P106-D108 PolarHBondContact O-N 2.86Å; P106-L138 HydrophobicContact CB-CD1 3.93Å; P106-L138 HydrophobicContact CB-CD2 3.65Å; P106-L138 HydrophobicContact CB-CG 4.45Å; P106-K140 VanDerWaalsContact O-CE 3.32Å; P106-K140 WeakPolarHBondContact O-CE 3.44Å
107	S	88.2	Confident	95.4	Very high	73 Å²	73	33.4 Å²	33.4	51%	0.51	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.4	173.2	58.7	0	0	0	0	113.8	S105 K140	S105-S107 VanDerWaalsContact CB-OG 3.31Å; S105-S107 WeakPolarHBondContact CB-OG 3.49Å; S105-S107 PolarHBondContact O-N 3.47Å; S105-S107 PolarHBondContact OG-N 2.87Å; S105-S107 PolarHBondContact OG-OG 3.24Å; S107-K140 PolarHBondContact O-NZ 3.24Å
108	D	92.8	Very high	95.4	Very high	56 Å²	56	30.4 Å²	30.4	30%	0.299	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.7	-175.2	-51.5	-26.4	0	0	0	111.6	S105 P106 S110	S105-D108 VanDerWaalsContact CB-OD2 3.28Å; S105-D108 WeakPolarHBondContact CB-OD2 3.33Å; S105-D108 PolarHBondContact N-OD2 2.94Å; S105-D108 WeakPolarHBondContact O-CB 3.12Å; S105-D108 PolarHBondContact O-N 3.06Å; P106-D108 PolarHBondContact O-N 2.86Å; D108-S110 PolarHBondContact O-N 2.76Å
109	L	96.3	Very high	95.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.183	C	C	.	.			trans	-57.9	130.5	171.8	-69.9	173.5	0	0	0	110.5	I38 L40 L99 I104 L138 K140	I38-L109 HydrophobicContact CG2-CD2 4.17Å; L40-L109 HydrophobicContact CB-CD1 4.2Å; L40-L109 HydrophobicContact CB-CD2 3.94Å; L99-L109 HydrophobicContact CD2-CD1 4.13Å; I104-L109 HydrophobicContact CD1-CD2 3.48Å; I104-L109 VanDerWaalsContact CD1-CD2 3.48Å; I104-L109 HydrophobicContact CD1-CG 3.99Å; L109-L138 HydrophobicContact CD1-CD1 4.16Å; L109-K140 HydrophobicContact CB-CG 4.42Å; L109-K140 WeakPolarHBondContact O-CD 3.43Å; L109-K140 WeakPolarHBondContact O-CE 3.45Å; L109-K140 PolarHBondContact O-NZ 2.97Å
110	S	97.1	Very high	95.1	Very high	37 Å²	37	34 Å²	34	26%	0.259	20%	0.195	S	C	.	.			trans	-83.7	-34	173.5	-55.5	0	0	0	0	111.9	K37 I38 D108 P141	K37-S110 WeakPolarHBondContact CA-OG 3.38Å; I38-S110 PolarHBondContact N-OG 3.45Å; I38-S110 WeakPolarHBondContact O-CA 3.46Å; I38-S110 VanDerWaalsContact O-CB 3.29Å; I38-S110 WeakPolarHBondContact O-CB 3.31Å; I38-S110 PolarHBondContact O-N 2.85Å; D108-S110 PolarHBondContact O-N 2.76Å; S110-P141 VanDerWaalsContact O-CD 3.32Å; S110-P141 WeakPolarHBondContact O-CD 3.28Å
111	A	97.9	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	165.5	176.1	0	0	0	0	0	112.2	V39 L40 P141 I143 L371	V39-A111 HydrophobicContact CG2-CB 4.37Å; L40-A111 PolarHBondContact N-O 2.91Å; A111-P141 WeakPolarHBondContact CA-O 3.25Å; A111-P141 HydrophobicContact CB-CB 4.36Å; A111-P141 WeakPolarHBondContact CB-O 3.28Å; A111-I143 HydrophobicContact CB-CD1 3.58Å; A111-I143 HydrophobicContact CB-CG1 3.94Å; A111-L371 HydrophobicContact CB-CD1 4.15Å; A111-L371 HydrophobicContact CB-CD2 4.32Å
112	I	98.6	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.4	167.7	-61.4	162.5	0	0	0	107.8	L40 I42 L134 V135 L138 K140 P141 F142 I143	L40-I112 HydrophobicContact CD2-CG1 4.47Å; L40-I112 CarbonylContact O-C 3.53Å; L40-I112 WeakPolarHBondContact O-CA 3.35Å; I42-I112 HydrophobicContact CD1-CG2 4.19Å; I112-L134 HydrophobicContact CD1-CB 4.13Å; I112-L134 HydrophobicContact CD1-CD2 3.81Å; I112-L134 HydrophobicContact CD1-CG 3.69Å; I112-L134 HydrophobicContact CG1-CD2 4.49Å; I112-V135 HydrophobicContact CB-CG2 4.09Å; I112-V135 HydrophobicContact CD1-CB 4.49Å; I112-V135 HydrophobicContact CD1-CG2 3.68Å; I112-V135 HydrophobicContact CG1-CG2 4.43Å; I112-L138 HydrophobicContact CD1-CD1 4.31Å; I112-K140 HydrophobicContact CD1-CB 4.41Å; I112-P141 PolarHBondContact N-O 3.05Å; I112-F142 CarbonylContact O-C 3.58Å; I112-F142 WeakPolarHBondContact O-CA 3.35Å; I112-F142 WeakPolarHBondContact O-CD2 3.44Å; I112-I143 PolarHBondContact O-N 3.28Å
113	A	98.8	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.9	177.4	0	0	0	0	0	110.2	V39 L40 G41 I42 I143 I145 I363	V39-A113 HydrophobicContact CG1-CB 3.61Å; L40-A113 PolarHBondContact O-N 3.17Å; G41-A113 CarbonylContact C-O 3.6Å; G41-A113 WeakPolarHBondContact CA-O 3.42Å; I42-A113 PolarHBondContact N-O 2.99Å; A113-I143 VanDerWaalsContact CA-O 3.3Å; A113-I143 WeakPolarHBondContact CA-O 3.36Å; A113-I143 HydrophobicContact CB-CB 4.22Å; A113-I145 HydrophobicContact CB-CD1 4.08Å; A113-I145 HydrophobicContact CB-CG1 3.82Å; A113-I363 HydrophobicContact CB-CG2 4.16Å
114	T	98.8	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.1	-176.8	-54.9	0	0	0	0	111.3	I42 I116 S131 F142 I143 I145	I42-T114 HydrophobicContact CB-CG2 4.23Å; I42-T114 HydrophobicContact CG2-CG2 4.37Å; I42-T114 WeakPolarHBondContact O-CA 3.36Å; T114-I116 PolarHBondContact O-N 3.41Å; T114-S131 WeakPolarHBondContact CG2-OG 3.35Å; T114-S131 WeakPolarHBondContact OG1-CB 3.49Å; T114-S131 PolarHBondContact OG1-OG 2.71Å; T114-F142 WeakPolarHBondContact OG1-CE2 3.17Å; T114-I143 PolarHBondContact N-O 2.91Å; T114-I145 PolarHBondContact O-N 3.14Å
115	T	98.7	Very high	95.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	117	172.4	-56	0	0	0	0	110.3	I42 E43 L124 H147 I363	I42-T115 PolarHBondContact O-N 3.24Å; E43-T115 WeakPolarHBondContact OE2-CB 3.48Å; E43-T115 PolarHBondContact OE2-OG1 3.16Å; T115-L124 HydrophobicContact CG2-CD2 4.06Å; T115-H147 HydrophobicContact CG2-CB 3.69Å; T115-I363 WeakPolarHBondContact OG1-CD1 3.2Å; T115-I363 WeakPolarHBondContact OG1-CG1 3.38Å
116	I	98.2	Very high	96.2	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.046	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-6.8	175.6	66.3	153.2	0	0	0	112.7	T114 L128 F142 P144 I145 Y386 E387	T114-I116 PolarHBondContact O-N 3.41Å; I116-L128 HydrophobicContact CG2-CD1 3.87Å; I116-F142 HydrophobicContact CG2-CE1 4.48Å; I116-F142 HydrophobicContact CG2-CZ 4.13Å; I116-P144 HydrophobicContact CD1-CB 3.34Å; I116-P144 HydrophobicContact CG1-CB 3.67Å; I116-P144 HydrophobicContact CG2-CB 4.39Å; I116-I145 PolarHBondContact N-O 2.72Å; I116-Y386 CarbonylContact O-C 3.58Å; I116-Y386 VanDerWaalsContact O-CA 3.24Å; I116-Y386 WeakPolarHBondContact O-CA 3.26Å; I116-Y386 VanDerWaalsContact O-CB 3.27Å; I116-Y386 WeakPolarHBondContact O-CB 3.49Å; I116-E387 PolarHBondContact O-N 3.16Å
117	K	97	Very high	96.8	Very high	49 Å²	49	21.9 Å²	21.9	21%	0.213	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	159.3	-176.6	61.7	-162.1	-175.6	169.4	0	113.7	H146 H147 E387 C390	K117-H146 HydrophobicContact CG-CB 4.14Å; K117-H146 CarbonylContact O-C 3.54Å; K117-H146 VanDerWaalsContact O-CA 3.24Å; K117-H146 WeakPolarHBondContact O-CA 3.31Å; K117-H147 WeakPolarHBondContact O-CB 3.36Å; K117-H147 PolarHBondContact O-N 3.39Å; K117-E387 WeakPolarHBondContact CA-O 3.37Å; K117-E387 HydrophobicContact CB-CB 3.84Å; K117-E387 WeakPolarHBondContact CB-O 3.41Å; K117-E387 HydrophobicContact CD-CB 4.15Å; K117-E387 HydrophobicContact CD-CG 4.34Å; K117-E387 VanDerWaalsContact CD-OE1 3.25Å; K117-E387 WeakPolarHBondContact CD-OE1 3.4Å; K117-E387 IonicContact NZ-OE1 2.68Å; K117-E387 PolarHBondContact NZ-OE1 2.92Å; K117-C390 HydrophobicContact CB-CB 3.79Å; K117-C390 HydrophobicContact CD-CB 4Å; K117-C390 HydrophobicContact CG-CB 4.09Å
118	P	96.4	Very high	97.3	Very high	16 Å²	16	18.8 Å²	18.8	10%	0.104	12%	0.117	C	C	.	.	S	Bend	cis	-66	177.1	-36.3	32.7	-37.5	0	0	0	110.8	H146 M148 E387 P388	P118-H146 VanDerWaalsContact CD-CE1 3.41Å; P118-H146 WeakPolarHBondContact CD-CE1 3.42Å; P118-M148 HydrophobicContact CG-CG 4.23Å; P118-E387 WeakPolarHBondContact CA-O 3.16Å; P118-P388 WeakPolarHBondContact CB-O 3.45Å
119	G	94.6	Very high	97.6	Very high	26 Å²	26	18 Å²	18	27%	0.268	12%	0.116	S	C	.	.	S	Bend	trans	156.9	-177.9	178	0	0	0	0	0	113.4	S45 A121 P388	S45-G119 CarbonylContact O-C 3.58Å; S45-G119 WeakPolarHBondContact O-CA 3.08Å; G119-A121 PolarHBondContact O-N 3.46Å; G119-P388 PolarHBondContact N-O 3.49Å; G119-P388 VanDerWaalsContact O-CA 3.29Å; G119-P388 WeakPolarHBondContact O-CA 3.37Å; G119-P388 WeakPolarHBondContact O-CB 3.42Å
120	L	95.1	Very high	97.7	Very high	52 Å²	52	18.6 Å²	18.6	27%	0.272	12%	0.118	S	C	.	.			trans	-65.2	119.6	173.5	-62.8	-178.9	0	0	0	109.6	S45 I78 L122 S123 L124	S45-L120 PolarHBondContact O-N 3.29Å; I78-L120 HydrophobicContact CG2-CD1 3.82Å; L120-L122 PolarHBondContact O-N 3.02Å; L120-L122 VanDerWaalsContact O-N 3.15Å; L120-S123 PolarHBondContact O-N 3.15Å; L120-L124 WeakPolarHBondContact O-CG 3.28Å; L120-L124 PolarHBondContact O-N 3.12Å
121	A	96.8	Very high	97.7	Very high	36 Å²	36	16.8 Å²	16.8	30%	0.298	11%	0.106	S	C	.	.	H	α-helix	trans	-50.2	-44.2	-177.5	0	0	0	0	0	113.2	G119 S123 G125 Y386 P388	G119-A121 PolarHBondContact O-N 3.46Å; A121-S123 VanDerWaalsContact C-N 3.35Å; A121-S123 PolarHBondContact O-N 3.11Å; A121-G125 PolarHBondContact O-N 3.44Å; A121-G125 VanDerWaalsContact O-N 3.1Å; A121-Y386 HydrophobicContact CB-CE2 3.83Å; A121-Y386 WeakPolarHBondContact O-CE2 3.5Å; A121-P388 HydrophobicContact CB-CB 4.04Å; A121-P388 HydrophobicContact CB-CG 3.5Å
122	L	96.9	Very high	97.7	Very high	70 Å²	70	18.5 Å²	18.5	37%	0.366	12%	0.115	S	C	.	.	H	α-helix	trans	-68.2	-33.4	-178.9	-64.1	-176.4	0	0	0	112.7	P80 Q84 L120 V126	P80-L122 HydrophobicContact CB-CD1 4.29Å; Q84-L122 HydrophobicContact CB-CB 3.9Å; Q84-L122 HydrophobicContact CG-CB 4.21Å; Q84-L122 PolarHBondContact NE2-O 2.88Å; Q84-L122 VanDerWaalsContact NE2-O 3.08Å; L120-L122 PolarHBondContact O-N 3.02Å; L120-L122 VanDerWaalsContact O-N 3.15Å; L122-V126 WeakPolarHBondContact O-CG2 3.1Å
123	S	97.6	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-78	-47.7	178.1	-54.6	0	0	0	0	111.3	T44 C46 H87 L120 A121 G125 V126 G127	T44-S123 CarbonylContact O-C 3.12Å; T44-S123 WeakPolarHBondContact O-CB 3.39Å; T44-S123 PolarHBondContact OG1-O 3.23Å; C46-S123 PolarHBondContact O-OG 2.91Å; H87-S123 VanDerWaalsContact CD2-CB 3.44Å; H87-S123 WeakPolarHBondContact CD2-CB 3.23Å; H87-S123 PolarHBondContact CD2-OG 2.79Å; H87-S123 WeakPolarHBondContact NE2-CB 3.36Å; H87-S123 PolarHBondContact NE2-OG 3.48Å; L120-S123 PolarHBondContact O-N 3.15Å; A121-S123 VanDerWaalsContact C-N 3.35Å; A121-S123 PolarHBondContact O-N 3.11Å; S123-G125 PolarHBondContact O-N 2.86Å; S123-V126 WeakPolarHBondContact O-CB 3.44Å; S123-V126 PolarHBondContact O-N 2.82Å; S123-G127 PolarHBondContact O-N 3.44Å
124	L	98.4	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.4	-40	175.3	-70.1	173.7	0	0	0	112.2	T44 T115 L120 V126 G127 L128 Y386	T44-L124 PolarHBondContact O-N 2.84Å; T115-L124 HydrophobicContact CG2-CD2 4.06Å; L120-L124 WeakPolarHBondContact O-CG 3.28Å; L120-L124 PolarHBondContact O-N 3.12Å; L124-V126 PolarHBondContact O-N 2.97Å; L124-G127 PolarHBondContact O-N 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.16Å; L124-L128 PolarHBondContact O-N 2.9Å; L124-Y386 HydrophobicContact CB-CD2 3.99Å; L124-Y386 HydrophobicContact CB-CG 3.91Å; L124-Y386 HydrophobicContact CD1-CD2 4.2Å
125	G	98.2	Very high	97.3	Very high	19 Å²	19	21.1 Å²	21.1	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-31.4	177	0	0	0	0	0	113.7	A121 S123 S129	A121-G125 PolarHBondContact O-N 3.44Å; A121-G125 VanDerWaalsContact O-N 3.1Å; S123-G125 PolarHBondContact O-N 2.86Å; G125-S129 WeakPolarHBondContact O-CB 3.35Å; G125-S129 PolarHBondContact O-N 3.47Å; G125-S129 VanDerWaalsContact O-N 3.11Å
126	V	98.5	Very high	96.9	Very high	14 Å²	14	23.5 Å²	23.5	9%	0.085	15%	0.152	C	C	.	.	H	α-helix	trans	-70.7	-52.2	176.9	179	0	0	0	0	110.3	Q84 H87 R88 I91 L122 S123 L124 L128 S129 F130	Q84-V126 HydrophobicContact CG-CG2 3.93Å; H87-V126 HydrophobicContact CB-CB 4.12Å; H87-V126 HydrophobicContact CB-CG1 3.85Å; H87-V126 HydrophobicContact CB-CG2 4.33Å; R88-V126 HydrophobicContact CG-CG1 3.97Å; R88-V126 HydrophobicContact CG-CG2 3.7Å; I91-V126 HydrophobicContact CD1-CG1 4.22Å; I91-V126 HydrophobicContact CG2-CG1 4.21Å; L122-V126 WeakPolarHBondContact O-CG2 3.1Å; S123-V126 WeakPolarHBondContact O-CB 3.44Å; S123-V126 PolarHBondContact O-N 2.82Å; L124-V126 PolarHBondContact O-N 2.97Å; V126-L128 PolarHBondContact O-N 2.95Å; V126-S129 PolarHBondContact O-N 3.45Å; V126-F130 WeakPolarHBondContact O-CB 3.33Å; V126-F130 PolarHBondContact O-N 3.19Å
127	G	98.3	Very high	96.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-48.1	178.7	0	0	0	0	0	112.7	T44 S123 L124 S131	T44-G127 VanDerWaalsContact OG1-CA 3.24Å; T44-G127 WeakPolarHBondContact OG1-CA 3.16Å; T44-G127 PolarHBondContact OG1-N 2.88Å; S123-G127 PolarHBondContact O-N 3.44Å; L124-G127 PolarHBondContact O-N 3.31Å; G127-S131 VanDerWaalsContact O-CB 3.32Å; G127-S131 WeakPolarHBondContact O-CB 3.46Å; G127-S131 PolarHBondContact O-N 3.4Å; G127-S131 PolarHBondContact O-OG 3.02Å
128	L	98.4	Very high	96.4	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-49.6	178.2	179.1	60.2	0	0	0	111.5	I116 L124 V126 F130 S131 L132 F142 I384 Y386	I116-L128 HydrophobicContact CG2-CD1 3.87Å; L124-L128 WeakPolarHBondContact O-CB 3.16Å; L124-L128 PolarHBondContact O-N 2.9Å; V126-L128 PolarHBondContact O-N 2.95Å; L128-F130 VanDerWaalsContact C-N 3.33Å; L128-F130 PolarHBondContact O-N 3.25Å; L128-S131 PolarHBondContact O-N 3.36Å; L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CD2 3.97Å; L128-L132 HydrophobicContact CD1-CG 3.76Å; L128-L132 HydrophobicContact CG-CD1 4.15Å; L128-L132 HydrophobicContact CG-CG 4.25Å; L128-L132 WeakPolarHBondContact O-CG 3.32Å; L128-L132 PolarHBondContact O-N 2.86Å; L128-F142 HydrophobicContact CD1-CE1 4.2Å; L128-F142 HydrophobicContact CD1-CZ 3.77Å; L128-I384 HydrophobicContact CD1-CG2 3.78Å; L128-I384 HydrophobicContact CD2-CG2 4.24Å; L128-Y386 HydrophobicContact CD2-CD1 4.13Å
129	S	98.2	Very high	96.3	Very high	38 Å²	38	32.9 Å²	32.9	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-44.9	-178.5	-178.3	0	0	0	0	112.2	G125 V126 Q133	G125-S129 WeakPolarHBondContact O-CB 3.35Å; G125-S129 PolarHBondContact O-N 3.47Å; G125-S129 VanDerWaalsContact O-N 3.11Å; V126-S129 PolarHBondContact O-N 3.45Å; S129-Q133 WeakPolarHBondContact O-CG 3.33Å; S129-Q133 PolarHBondContact O-N 3.01Å
130	F	98.3	Very high	96.3	Very high	15 Å²	15	33.8 Å²	33.8	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-45.9	176.7	-179	-88.3	0	0	0	111.7	I42 I91 Q92 V95 V126 L128 L132 Q133 L134	I42-F130 HydrophobicContact CD1-CD1 4.23Å; I42-F130 HydrophobicContact CD1-CE1 4.35Å; I91-F130 HydrophobicContact CD1-CB 3.52Å; I91-F130 HydrophobicContact CD1-CD1 3.94Å; I91-F130 HydrophobicContact CD1-CD2 4.39Å; I91-F130 HydrophobicContact CD1-CG 3.69Å; I91-F130 HydrophobicContact CG1-CB 4.27Å; I91-F130 HydrophobicContact CG1-CD1 4Å; I91-F130 HydrophobicContact CG1-CD2 4.24Å; I91-F130 HydrophobicContact CG1-CE1 4.45Å; I91-F130 HydrophobicContact CG1-CG 3.9Å; I91-F130 HydrophobicContact CG2-CD2 3.92Å; I91-F130 HydrophobicContact CG2-CE2 4.45Å; I91-F130 HydrophobicContact CG2-CG 4.28Å; Q92-F130 HydrophobicContact CB-CE2 4.01Å; Q92-F130 HydrophobicContact CG-CE2 4.46Å; V95-F130 HydrophobicContact CB-CE1 3.92Å; V95-F130 HydrophobicContact CB-CZ 4.05Å; V95-F130 HydrophobicContact CG1-CE1 3.95Å; V95-F130 HydrophobicContact CG1-CZ 4.23Å; V95-F130 HydrophobicContact CG2-CD1 4.39Å; V95-F130 HydrophobicContact CG2-CE1 3.67Å; V95-F130 HydrophobicContact CG2-CZ 4.21Å; V126-F130 WeakPolarHBondContact O-CB 3.33Å; V126-F130 PolarHBondContact O-N 3.19Å; L128-F130 VanDerWaalsContact C-N 3.33Å; L128-F130 PolarHBondContact O-N 3.25Å; F130-L132 PolarHBondContact O-N 2.91Å; F130-Q133 WeakPolarHBondContact O-CB 3.25Å; F130-Q133 PolarHBondContact O-N 3.16Å; F130-L134 HydrophobicContact CE1-CD2 4.34Å; F130-L134 PolarHBondContact O-N 2.97Å
131	S	98	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-38.2	-175.3	-54.5	0	0	0	0	112.5	I42 T114 G127 L128 Q133 L134 V135	I42-S131 VanDerWaalsContact CD1-OG 3.31Å; I42-S131 WeakPolarHBondContact CD1-OG 3.36Å; T114-S131 WeakPolarHBondContact CG2-OG 3.35Å; T114-S131 WeakPolarHBondContact OG1-CB 3.49Å; T114-S131 PolarHBondContact OG1-OG 2.71Å; G127-S131 VanDerWaalsContact O-CB 3.32Å; G127-S131 WeakPolarHBondContact O-CB 3.46Å; G127-S131 PolarHBondContact O-N 3.4Å; G127-S131 PolarHBondContact O-OG 3.02Å; L128-S131 PolarHBondContact O-N 3.36Å; S131-Q133 VanDerWaalsContact C-N 3.32Å; S131-Q133 PolarHBondContact O-N 2.99Å; S131-L134 PolarHBondContact O-N 2.84Å; S131-V135 WeakPolarHBondContact O-CB 3.43Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.18Å; S131-V135 PolarHBondContact O-N 3.43Å
132	L	97.4	Very high	96.5	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-34.8	174.8	-65.8	-169.9	0	0	0	112.6	L128 F130 G136 F142 I381 I384	L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CD2 3.97Å; L128-L132 HydrophobicContact CD1-CG 3.76Å; L128-L132 HydrophobicContact CG-CD1 4.15Å; L128-L132 HydrophobicContact CG-CG 4.25Å; L128-L132 WeakPolarHBondContact O-CG 3.32Å; L128-L132 PolarHBondContact O-N 2.86Å; F130-L132 PolarHBondContact O-N 2.91Å; L132-G136 PolarHBondContact O-N 2.84Å; L132-F142 HydrophobicContact CD2-CD1 4.35Å; L132-F142 HydrophobicContact CD2-CD2 4.35Å; L132-F142 HydrophobicContact CD2-CE1 4.34Å; L132-F142 HydrophobicContact CD2-CE2 4.33Å; L132-F142 HydrophobicContact CD2-CG 4.33Å; L132-F142 HydrophobicContact CD2-CZ 4.33Å; L132-I381 HydrophobicContact CB-CD1 4.17Å; L132-I381 HydrophobicContact CD2-CB 3.86Å; L132-I381 HydrophobicContact CD2-CD1 4.3Å; L132-I381 HydrophobicContact CD2-CG2 3.88Å; L132-I384 HydrophobicContact CD1-CB 4.5Å; L132-I384 HydrophobicContact CD2-CD1 4.19Å
133	Q	96.3	Very high	96.6	Very high	46 Å²	46	27.3 Å²	27.3	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-44	172.5	-69.1	177.5	7.9	0	0	111.2	S129 F130 S131 G136 Q137	S129-Q133 WeakPolarHBondContact O-CG 3.33Å; S129-Q133 PolarHBondContact O-N 3.01Å; F130-Q133 WeakPolarHBondContact O-CB 3.25Å; F130-Q133 PolarHBondContact O-N 3.16Å; S131-Q133 VanDerWaalsContact C-N 3.32Å; S131-Q133 PolarHBondContact O-N 2.99Å; Q133-G136 PolarHBondContact O-N 2.88Å; Q133-Q137 WeakPolarHBondContact O-CG 3.4Å; Q133-Q137 PolarHBondContact O-N 3.39Å; Q133-Q137 VanDerWaalsContact O-N 3.16Å
134	L	95.3	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-43.4	178.5	-171	63.3	0	0	0	111.6	F22 L40 V95 I112 F130 S131 G136 Q137 L138	F22-L134 HydrophobicContact CE1-CD1 4.07Å; L40-L134 HydrophobicContact CD2-CD2 3.65Å; V95-L134 HydrophobicContact CG1-CD2 4.38Å; I112-L134 HydrophobicContact CD1-CB 4.13Å; I112-L134 HydrophobicContact CD1-CD2 3.81Å; I112-L134 HydrophobicContact CD1-CG 3.69Å; I112-L134 HydrophobicContact CG1-CD2 4.49Å; F130-L134 HydrophobicContact CE1-CD2 4.34Å; F130-L134 PolarHBondContact O-N 2.97Å; S131-L134 PolarHBondContact O-N 2.84Å; L134-G136 PolarHBondContact O-N 2.95Å; L134-Q137 PolarHBondContact O-N 3.16Å; L134-L138 HydrophobicContact CD1-CD1 3.71Å; L134-L138 HydrophobicContact CD1-CG 3.96Å; L134-L138 HydrophobicContact CD2-CD1 4.45Å; L134-L138 HydrophobicContact CG-CD1 3.84Å; L134-L138 HydrophobicContact CG-CG 4.28Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CG 3.3Å; L134-L138 PolarHBondContact O-N 3.4Å
135	V	95.8	Very high	96.6	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.048	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-48	173.5	164.9	0	0	0	0	111.3	I112 S131 Q137 L138 K139 K140 F142 I381	I112-V135 HydrophobicContact CB-CG2 4.09Å; I112-V135 HydrophobicContact CD1-CB 4.49Å; I112-V135 HydrophobicContact CD1-CG2 3.68Å; I112-V135 HydrophobicContact CG1-CG2 4.43Å; S131-V135 WeakPolarHBondContact O-CB 3.43Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.18Å; S131-V135 PolarHBondContact O-N 3.43Å; V135-Q137 PolarHBondContact O-N 2.9Å; V135-L138 PolarHBondContact O-N 3.48Å; V135-K139 VanDerWaalsContact O-CA 3.27Å; V135-K139 WeakPolarHBondContact O-CA 3.31Å; V135-K139 PolarHBondContact O-N 2.83Å; V135-K140 WeakPolarHBondContact CG1-O 3.49Å; V135-F142 HydrophobicContact CG1-CB 4.47Å; V135-F142 HydrophobicContact CG2-CB 3.89Å; V135-F142 HydrophobicContact CG2-CD2 3.79Å; V135-F142 HydrophobicContact CG2-CG 4.25Å; V135-I381 HydrophobicContact CB-CG2 4.44Å; V135-I381 HydrophobicContact CG1-CD1 4.15Å; V135-I381 HydrophobicContact CG1-CG2 3.6Å
136	G	91.9	Very high	96.6	Very high	50 Å²	50	27.7 Å²	27.7	52%	0.515	15%	0.151	S	C	.	.	H	α-helix	trans	-62.2	-28.4	179.5	0	0	0	0	0	113.7	L132 Q133 L134	L132-G136 PolarHBondContact O-N 2.84Å; Q133-G136 PolarHBondContact O-N 2.88Å; L134-G136 PolarHBondContact O-N 2.95Å
137	Q	91.9	Very high	96.6	Very high	54 Å²	54	27.2 Å²	27.2	25%	0.252	15%	0.147	S	C	.	.	H	α-helix	trans	-83.9	-48.2	177.4	-70.5	177	-4.3	0	0	112.8	L23 Q133 L134 V135 K139	L23-Q137 HydrophobicContact CD1-CB 4.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.4Å; Q133-Q137 PolarHBondContact O-N 3.39Å; Q133-Q137 VanDerWaalsContact O-N 3.16Å; L134-Q137 PolarHBondContact O-N 3.16Å; V135-Q137 PolarHBondContact O-N 2.9Å; Q137-K139 VanDerWaalsContact C-N 3.29Å
138	L	92.9	Very high	96.5	Very high	31 Å²	31	27.5 Å²	27.5	16%	0.162	15%	0.149	C	C	.	.	H	α-helix	trans	-81.4	-12	-176.5	-60	-174.1	0	0	0	112.9	L23 P106 L109 I112 L134 V135 K140	L23-L138 HydrophobicContact CD2-CD2 3.92Å; P106-L138 HydrophobicContact CB-CD1 3.93Å; P106-L138 HydrophobicContact CB-CD2 3.65Å; P106-L138 HydrophobicContact CB-CG 4.45Å; L109-L138 HydrophobicContact CD1-CD1 4.16Å; I112-L138 HydrophobicContact CD1-CD1 4.31Å; L134-L138 HydrophobicContact CD1-CD1 3.71Å; L134-L138 HydrophobicContact CD1-CG 3.96Å; L134-L138 HydrophobicContact CD2-CD1 4.45Å; L134-L138 HydrophobicContact CG-CD1 3.84Å; L134-L138 HydrophobicContact CG-CG 4.28Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CG 3.3Å; L134-L138 PolarHBondContact O-N 3.4Å; V135-L138 PolarHBondContact O-N 3.48Å; L138-K140 HydrophobicContact CB-CG 3.75Å; L138-K140 PolarHBondContact O-N 3.44Å
139	K	94.1	Very high	96.4	Very high	187 Å²	187	27.9 Å²	27.9	81%	0.813	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	40.2	-175.4	-57.7	-177	179.3	-178.8	0	112	V135 Q137	V135-K139 VanDerWaalsContact O-CA 3.27Å; V135-K139 WeakPolarHBondContact O-CA 3.31Å; V135-K139 PolarHBondContact O-N 2.83Å; Q137-K139 VanDerWaalsContact C-N 3.29Å
140	K	95.1	Very high	96.4	Very high	44 Å²	44	26 Å²	26	19%	0.191	14%	0.138	C	C	.	.			trans	-98.2	147	178.3	-61.1	-55.1	-174	164.2	0	110.8	P106 S107 L109 I112 V135 L138	P106-K140 VanDerWaalsContact O-CE 3.32Å; P106-K140 WeakPolarHBondContact O-CE 3.44Å; S107-K140 PolarHBondContact O-NZ 3.24Å; L109-K140 HydrophobicContact CB-CG 4.42Å; L109-K140 WeakPolarHBondContact O-CD 3.43Å; L109-K140 WeakPolarHBondContact O-CE 3.45Å; L109-K140 PolarHBondContact O-NZ 2.97Å; I112-K140 HydrophobicContact CD1-CB 4.41Å; V135-K140 WeakPolarHBondContact CG1-O 3.49Å; L138-K140 HydrophobicContact CB-CG 3.75Å; L138-K140 PolarHBondContact O-N 3.44Å
141	P	96.8	Very high	96.3	Very high	22 Å²	22	25.8 Å²	25.8	14%	0.143	14%	0.136	C	C	.	.			trans	-54.7	145.7	170	-20.1	29.6	0	0	0	111.7	S110 A111 I112 I377 L378	S110-P141 VanDerWaalsContact O-CD 3.32Å; S110-P141 WeakPolarHBondContact O-CD 3.28Å; A111-P141 WeakPolarHBondContact CA-O 3.25Å; A111-P141 HydrophobicContact CB-CB 4.36Å; A111-P141 WeakPolarHBondContact CB-O 3.28Å; I112-P141 PolarHBondContact N-O 3.05Å; P141-I377 HydrophobicContact CB-CG2 3.65Å; P141-I377 HydrophobicContact CG-CG2 4.38Å; P141-L378 WeakPolarHBondContact CA-O 3.44Å
142	F	98.5	Very high	96.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.3	174.9	-177.3	-107.6	0	0	0	110.4	I112 T114 I116 L128 L132 V135 P144 L378 I381 I384	I112-F142 CarbonylContact O-C 3.58Å; I112-F142 WeakPolarHBondContact O-CA 3.35Å; I112-F142 WeakPolarHBondContact O-CD2 3.44Å; T114-F142 WeakPolarHBondContact OG1-CE2 3.17Å; I116-F142 HydrophobicContact CG2-CE1 4.48Å; I116-F142 HydrophobicContact CG2-CZ 4.13Å; L128-F142 HydrophobicContact CD1-CE1 4.2Å; L128-F142 HydrophobicContact CD1-CZ 3.77Å; L132-F142 HydrophobicContact CD2-CD1 4.35Å; L132-F142 HydrophobicContact CD2-CD2 4.35Å; L132-F142 HydrophobicContact CD2-CE1 4.34Å; L132-F142 HydrophobicContact CD2-CE2 4.33Å; L132-F142 HydrophobicContact CD2-CG 4.33Å; L132-F142 HydrophobicContact CD2-CZ 4.33Å; V135-F142 HydrophobicContact CG1-CB 4.47Å; V135-F142 HydrophobicContact CG2-CB 3.89Å; V135-F142 HydrophobicContact CG2-CD2 3.79Å; V135-F142 HydrophobicContact CG2-CG 4.25Å; F142-P144 HydrophobicContact CE1-CB 4.03Å; F142-L378 HydrophobicContact CD1-CD1 4.4Å; F142-L378 PolarHBondContact N-O 3.28Å; F142-L378 WeakPolarHBondContact O-CB 3.4Å; F142-L378 PolarHBondContact O-N 2.82Å; F142-I381 HydrophobicContact CB-CG2 3.92Å; F142-I381 HydrophobicContact CG-CG2 4.46Å; F142-I384 HydrophobicContact CD1-CD1 3.53Å; F142-I384 HydrophobicContact CE1-CD1 3.9Å; F142-I384 HydrophobicContact CE1-CG2 4.12Å; F142-I384 HydrophobicContact CG-CD1 4.48Å
143	I	98.6	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	106.8	176.7	-55.1	177	0	0	0	108.6	A111 I112 A113 T114 I145 R370 L371	A111-I143 HydrophobicContact CB-CD1 3.58Å; A111-I143 HydrophobicContact CB-CG1 3.94Å; I112-I143 PolarHBondContact O-N 3.28Å; A113-I143 VanDerWaalsContact CA-O 3.3Å; A113-I143 WeakPolarHBondContact CA-O 3.36Å; A113-I143 HydrophobicContact CB-CB 4.22Å; T114-I143 PolarHBondContact N-O 2.91Å; I143-I145 HydrophobicContact CB-CD1 4.46Å; I143-I145 HydrophobicContact CG2-CD1 3.62Å; I143-I145 PolarHBondContact O-N 2.82Å; I143-R370 HydrophobicContact CG2-CB 4.07Å; I143-R370 VanDerWaalsContact CG2-CD 3.46Å; I143-R370 HydrophobicContact CG2-CG 4.4Å; I143-L371 HydrophobicContact CD1-CD1 4.34Å; I143-L371 HydrophobicContact CD1-CD2 3.8Å; I143-L371 HydrophobicContact CD1-CG 3.63Å
144	P	98.3	Very high	96.2	Very high	23 Å²	23	21.9 Å²	21.9	15%	0.149	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128	172.3	27.6	-31.1	0	0	0	110.3	I116 F142 G376 L378	I116-P144 HydrophobicContact CD1-CB 3.34Å; I116-P144 HydrophobicContact CG1-CB 3.67Å; I116-P144 HydrophobicContact CG2-CB 4.39Å; F142-P144 HydrophobicContact CE1-CB 4.03Å; P144-G376 WeakPolarHBondContact CD-O 3.12Å; P144-L378 HydrophobicContact CG-CD1 3.9Å; P144-L378 HydrophobicContact CG-CG 4.49Å
145	I	98.6	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.9	-176.9	-57.3	-62.1	0	0	0	110.7	A113 T114 I116 I143 A150 I363 N366	A113-I145 HydrophobicContact CB-CD1 4.08Å; A113-I145 HydrophobicContact CB-CG1 3.82Å; T114-I145 PolarHBondContact O-N 3.14Å; I116-I145 PolarHBondContact N-O 2.72Å; I143-I145 HydrophobicContact CB-CD1 4.46Å; I143-I145 HydrophobicContact CG2-CD1 3.62Å; I143-I145 PolarHBondContact O-N 2.82Å; I145-A150 HydrophobicContact CG2-CB 3.95Å; I145-I363 HydrophobicContact CB-CG2 4.14Å; I145-I363 HydrophobicContact CG1-CG2 3.83Å; I145-I363 HydrophobicContact CG2-CD1 3.79Å; I145-I363 HydrophobicContact CG2-CG2 4.3Å; I145-N366 HydrophobicContact CD1-CB 4.11Å; I145-N366 VanDerWaalsContact CD1-OD1 3.25Å; I145-N366 WeakPolarHBondContact CD1-OD1 3.32Å; I145-N366 HydrophobicContact CG2-CB 4.2Å; I145-N366 WeakPolarHBondContact CG2-OD1 3.33Å
146	H	98.3	Very high	96.3	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.023	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118	165.8	-173	-66.6	0	0	0	109.3	K117 P118 M148 E149 A150 C390	K117-H146 HydrophobicContact CG-CB 4.14Å; K117-H146 CarbonylContact O-C 3.54Å; K117-H146 VanDerWaalsContact O-CA 3.24Å; K117-H146 WeakPolarHBondContact O-CA 3.31Å; P118-H146 VanDerWaalsContact CD-CE1 3.41Å; P118-H146 WeakPolarHBondContact CD-CE1 3.42Å; H146-M148 VanDerWaalsContact C-N 3.34Å; H146-M148 PolarHBondContact ND1-N 3.26Å; H146-M148 PolarHBondContact O-N 2.76Å; H146-E149 HydrophobicContact CB-CB 4.1Å; H146-E149 VanDerWaalsContact CB-CD 3.49Å; H146-E149 HydrophobicContact CB-CG 3.65Å; H146-E149 PolarHBondContact ND1-N 3.46Å; H146-E149 WeakPolarHBondContact O-CB 3.44Å; H146-E149 PolarHBondContact O-N 3.45Å; H146-A150 PolarHBondContact O-N 3.41Å; H146-C390 PolarHBondContact NE2-O 3.32Å
147	H	97.2	Very high	96.5	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-50.7	-47.2	-175.7	-178.1	79.4	0	0	0	113.2	E43 S45 T115 K117 E149 A150 H151 D358	E43-H147 IonicContact OE1-ND1 3.54Å; E43-H147 IonicContact OE2-CE1 3.33Å; E43-H147 IonicContact OE2-ND1 2.67Å; E43-H147 PolarHBondContact OE2-ND1 2.94Å; S45-H147 PolarHBondContact OG-CE1 3.35Å; S45-H147 PolarHBondContact OG-ND1 3.22Å; T115-H147 HydrophobicContact CG2-CB 3.69Å; K117-H147 WeakPolarHBondContact O-CB 3.36Å; K117-H147 PolarHBondContact O-N 3.39Å; H147-E149 VanDerWaalsContact C-N 3.32Å; H147-E149 PolarHBondContact O-N 2.7Å; H147-A150 WeakPolarHBondContact O-CB 3.37Å; H147-A150 PolarHBondContact O-N 2.87Å; H147-H151 AromaticContact CD2-CD2 3.74Å; H147-H151 AromaticContact CE1-CD2 3.73Å; H147-H151 AromaticContact CE1-NE2 3.53Å; H147-H151 AromaticContact NE2-CD2 3.29Å; H147-H151 PolarHBondContact NE2-CD2 3.33Å; H147-H151 VanDerWaalsContact NE2-CD2 3.29Å; H147-H151 AromaticContact NE2-NE2 3.3Å; H147-H151 PolarHBondContact NE2-NE2 3.24Å; H147-H151 PolarHBondContact O-N 3.47Å; H147-H151 VanDerWaalsContact O-N 3.09Å; H147-D358 IonicContact CE1-OD1 3.5Å; H147-D358 PolarHBondContact CE1-OD1 3.16Å; H147-D358 IonicContact CE1-OD2 2.69Å; H147-D358 PolarHBondContact CE1-OD2 3.48Å; H147-D358 IonicContact NE2-OD1 2.78Å; H147-D358 PolarHBondContact NE2-OD1 3.02Å; H147-D358 IonicContact NE2-OD2 3.84Å
148	M	96.3	Very high	96.6	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-70.9	-26.6	179.3	-50.8	-56.8	-56.7	0	0	113.2	P118 H146 A152 L169 H174 L176 L392	P118-M148 HydrophobicContact CG-CG 4.23Å; H146-M148 VanDerWaalsContact C-N 3.34Å; H146-M148 PolarHBondContact ND1-N 3.26Å; H146-M148 PolarHBondContact O-N 2.76Å; M148-A152 WeakPolarHBondContact O-CB 3.32Å; M148-A152 PolarHBondContact O-N 2.91Å; M148-A152 VanDerWaalsContact O-N 3.08Å; M148-L169 HydrophobicContact CB-CD1 4.08Å; M148-L169 HydrophobicContact CE-CB 3.9Å; M148-L169 HydrophobicContact CE-CD1 3.46Å; M148-L169 VanDerWaalsContact CE-CD1 3.46Å; M148-L169 HydrophobicContact CE-CG 4.3Å; M148-L169 WeakPolarHBondContact O-CD1 3.24Å; M148-H174 HydrophobicContact CE-CB 3.6Å; M148-H174 HydrophobicContact SD-CB 4.23Å; M148-H174 VanDerWaalsContact SD-CG 3.58Å; M148-L176 HydrophobicContact CE-CD2 3.98Å; M148-L176 HydrophobicContact CE-CG 4.43Å; M148-L176 HydrophobicContact CG-CD2 4.5Å; M148-L392 HydrophobicContact CB-CB 4.45Å; M148-L392 HydrophobicContact CB-CD1 4.21Å; M148-L392 HydrophobicContact CB-CD2 4.26Å
149	E	97.4	Very high	96.7	Very high	17 Å²	17	24.4 Å²	24.4	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-70.8	-40.6	174.8	-63.7	177.6	-179.5	0	0	109.4	H146 H147 A152 L153 F186 R370 L392	H146-E149 HydrophobicContact CB-CB 4.1Å; H146-E149 VanDerWaalsContact CB-CD 3.49Å; H146-E149 HydrophobicContact CB-CG 3.65Å; H146-E149 PolarHBondContact ND1-N 3.46Å; H146-E149 WeakPolarHBondContact O-CB 3.44Å; H146-E149 PolarHBondContact O-N 3.45Å; H147-E149 VanDerWaalsContact C-N 3.32Å; H147-E149 PolarHBondContact O-N 2.7Å; E149-A152 PolarHBondContact O-N 3.02Å; E149-L153 WeakPolarHBondContact O-CB 3.41Å; E149-L153 WeakPolarHBondContact O-CG 3.46Å; E149-L153 PolarHBondContact O-N 3.27Å; E149-F186 HydrophobicContact CB-CE2 3.99Å; E149-F186 HydrophobicContact CB-CZ 3.88Å; E149-F186 HydrophobicContact CG-CD2 4.05Å; E149-F186 HydrophobicContact CG-CE2 3.5Å; E149-F186 HydrophobicContact CG-CZ 3.82Å; E149-R370 IonicContact OE1-NH2 3.18Å; E149-R370 IonicContact OE2-CZ 3.42Å; E149-R370 IonicContact OE2-NE 2.81Å; E149-R370 IonicContact OE2-NH2 3.39Å; E149-R370 PolarHBondContact OE2-NH2 2.99Å; E149-L392 HydrophobicContact CG-CD1 3.58Å
150	A	97.2	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-51.8	174.8	0	0	0	0	0	111.3	I145 H146 H147 A152 L153 T154 M362 I363 N366	I145-A150 HydrophobicContact CG2-CB 3.95Å; H146-A150 PolarHBondContact O-N 3.41Å; H147-A150 WeakPolarHBondContact O-CB 3.37Å; H147-A150 PolarHBondContact O-N 2.87Å; A150-A152 VanDerWaalsContact C-N 3.27Å; A150-A152 PolarHBondContact O-N 3.38Å; A150-L153 PolarHBondContact O-N 3.11Å; A150-T154 PolarHBondContact O-N 2.88Å; A150-T154 PolarHBondContact O-OG1 3.3Å; A150-M362 HydrophobicContact CB-CB 4.17Å; A150-M362 HydrophobicContact CB-CG 4.12Å; A150-M362 HydrophobicContact CB-SD 4.37Å; A150-I363 HydrophobicContact CB-CD1 3.54Å; A150-N366 HydrophobicContact CB-CB 4.03Å
151	H	96.1	Very high	96.6	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-55.4	-39.7	174.5	-90.3	-64.8	0	0	0	113.5	H147 L169 D358 M362	H147-H151 AromaticContact CD2-CD2 3.74Å; H147-H151 AromaticContact CE1-CD2 3.73Å; H147-H151 AromaticContact CE1-NE2 3.53Å; H147-H151 AromaticContact NE2-CD2 3.29Å; H147-H151 PolarHBondContact NE2-CD2 3.33Å; H147-H151 VanDerWaalsContact NE2-CD2 3.29Å; H147-H151 AromaticContact NE2-NE2 3.3Å; H147-H151 PolarHBondContact NE2-NE2 3.24Å; H147-H151 PolarHBondContact O-N 3.47Å; H147-H151 VanDerWaalsContact O-N 3.09Å; H151-L169 HydrophobicContact CB-CD1 4.35Å; H151-L169 HydrophobicContact CB-CD2 4.12Å; H151-D358 IonicContact CE1-OD1 3.56Å; H151-D358 PolarHBondContact CE1-OD1 2.95Å; H151-D358 IonicContact NE2-OD1 3.4Å; H151-D358 PolarHBondContact NE2-OD1 3.44Å; H151-M362 VanDerWaalsContact CE1-SD 3.5Å
152	A	96.9	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.9	-36.2	180	0	0	0	0	0	113.1	M148 E149 A150 V167 L169 V180 F186	M148-A152 WeakPolarHBondContact O-CB 3.32Å; M148-A152 PolarHBondContact O-N 2.91Å; M148-A152 VanDerWaalsContact O-N 3.08Å; E149-A152 PolarHBondContact O-N 3.02Å; A150-A152 VanDerWaalsContact C-N 3.27Å; A150-A152 PolarHBondContact O-N 3.38Å; A152-V167 HydrophobicContact CB-CB 4.37Å; A152-V167 HydrophobicContact CB-CG1 4.01Å; A152-V167 HydrophobicContact CB-CG2 4.02Å; A152-L169 HydrophobicContact CB-CD1 4.32Å; A152-V180 HydrophobicContact CB-CG2 4.47Å; A152-F186 HydrophobicContact CB-CE1 3.73Å; A152-F186 HydrophobicContact CB-CZ 4.31Å
153	L	97.1	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-90.8	-10.4	-175.9	-66.8	165.4	0	0	0	113.1	E149 A150 I155 R156 F163 F165 V180 V183 F186 W365 N366	E149-L153 WeakPolarHBondContact O-CB 3.41Å; E149-L153 WeakPolarHBondContact O-CG 3.46Å; E149-L153 PolarHBondContact O-N 3.27Å; A150-L153 PolarHBondContact O-N 3.11Å; L153-I155 PolarHBondContact O-N 3.02Å; L153-I155 VanDerWaalsContact O-N 3.12Å; L153-R156 VanDerWaalsContact O-CB 3.31Å; L153-R156 WeakPolarHBondContact O-CB 3.35Å; L153-R156 PolarHBondContact O-N 3.49Å; L153-F163 HydrophobicContact CD2-CE1 3.72Å; L153-F163 HydrophobicContact CD2-CZ 3.81Å; L153-F165 HydrophobicContact CD2-CZ 4.2Å; L153-V180 HydrophobicContact CD2-CG1 4.15Å; L153-V183 HydrophobicContact CD1-CG1 4.24Å; L153-V183 VanDerWaalsContact CD1-O 3.32Å; L153-V183 WeakPolarHBondContact CD1-O 3.37Å; L153-F186 HydrophobicContact CD1-CZ 4.18Å; L153-F186 HydrophobicContact CG-CZ 4.31Å; L153-W365 PolarHBondContact O-NE1 3.36Å; L153-N366 WeakPolarHBondContact CD1-ND2 3.4Å
154	T	96.1	Very high	96.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.2	176	-62.7	0	0	0	0	113.1	A150 R156 L157 P351 L355 M362	A150-T154 PolarHBondContact O-N 2.88Å; A150-T154 PolarHBondContact O-OG1 3.3Å; T154-R156 PolarHBondContact O-N 3Å; T154-L157 WeakPolarHBondContact O-CB 3.37Å; T154-L157 PolarHBondContact O-N 3.32Å; T154-P351 HydrophobicContact CG2-CB 4.17Å; T154-P351 HydrophobicContact CG2-CG 4.39Å; T154-L355 HydrophobicContact CG2-CB 3.69Å; T154-L355 HydrophobicContact CG2-CD1 4.25Å; T154-M362 VanDerWaalsContact OG1-CB 3.25Å; T154-M362 WeakPolarHBondContact OG1-CB 3.07Å
155	I	96.6	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-29	179.3	-167.9	60.9	0	0	0	112.7	L153 L157 T158 N159 V161 V322 L349 P351	L153-I155 PolarHBondContact O-N 3.02Å; L153-I155 VanDerWaalsContact O-N 3.12Å; I155-L157 PolarHBondContact O-N 3.24Å; I155-T158 PolarHBondContact O-N 2.83Å; I155-T158 VanDerWaalsContact O-N 3.15Å; I155-T158 PolarHBondContact O-OG1 3.19Å; I155-N159 HydrophobicContact CD1-CB 4.46Å; I155-N159 WeakPolarHBondContact CD1-OD1 3.33Å; I155-N159 HydrophobicContact CG1-CB 4.34Å; I155-N159 PolarHBondContact O-N 3.45Å; I155-V161 HydrophobicContact CG1-CG2 4.13Å; I155-V161 HydrophobicContact CG2-CG2 4.12Å; I155-V322 HydrophobicContact CB-CG1 3.79Å; I155-V322 HydrophobicContact CB-CG2 4.4Å; I155-V322 HydrophobicContact CG1-CG1 4.2Å; I155-V322 HydrophobicContact CG1-CG2 4.39Å; I155-V322 HydrophobicContact CG2-CB 4.39Å; I155-V322 HydrophobicContact CG2-CG1 3.76Å; I155-V322 HydrophobicContact CG2-CG2 3.73Å; I155-L349 HydrophobicContact CD1-CB 3.95Å; I155-L349 HydrophobicContact CG1-CB 3.94Å; I155-L349 HydrophobicContact CG1-CD1 4.35Å; I155-P351 HydrophobicContact CB-CG 4.19Å; I155-P351 HydrophobicContact CD1-CG 4.06Å
156	R	96.9	Very high	96.3	Very high	46 Å²	46	33 Å²	33	17%	0.174	16%	0.159	C	C	.	.	H	α-helix	trans	-69.1	-16.7	179.3	-64.7	174	62.3	84.8	17.6	112.3	L153 T154 N159 V161 W365 E369	L153-R156 VanDerWaalsContact O-CB 3.31Å; L153-R156 WeakPolarHBondContact O-CB 3.35Å; L153-R156 PolarHBondContact O-N 3.49Å; T154-R156 PolarHBondContact O-N 3Å; R156-N159 CarbonylContact C-O 3.58Å; R156-N159 VanDerWaalsContact CA-O 3.3Å; R156-N159 WeakPolarHBondContact CA-O 3.3Å; R156-V161 HydrophobicContact CG-CB 4.2Å; R156-V161 VanDerWaalsContact CZ-O 3.3Å; R156-V161 PolarHBondContact NH1-O 3.22Å; R156-W365 HydrophobicContact CB-CZ2 4.27Å; R156-W365 VanDerWaalsContact O-CZ2 3.23Å; R156-W365 WeakPolarHBondContact O-CZ2 3.27Å; R156-E369 IonicContact CZ-OE2 3.86Å; R156-E369 IonicContact NE-OE2 3Å; R156-E369 PolarHBondContact NE-OE2 3.38Å; R156-E369 IonicContact NH2-OE2 3.45Å; R156-E369 PolarHBondContact NH2-OE2 3.05Å
157	L	95.7	Very high	96.3	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.136	16%	0.158	C	C	.	.	H	α-helix	trans	-68	-40.3	172.2	-176.2	73.5	0	0	0	111.1	V54 G58 T154 I155 L355 I361 W365	V54-L157 HydrophobicContact CG1-CD1 4.19Å; G58-L157 VanDerWaalsContact CA-CD1 3.46Å; G58-L157 WeakPolarHBondContact O-CD1 3.4Å; T154-L157 WeakPolarHBondContact O-CB 3.37Å; T154-L157 PolarHBondContact O-N 3.32Å; I155-L157 PolarHBondContact O-N 3.24Å; L157-L355 HydrophobicContact CD2-CD1 3.89Å; L157-I361 HydrophobicContact CD2-CG2 3.47Å; L157-I361 VanDerWaalsContact CD2-CG2 3.47Å; L157-W365 HydrophobicContact CB-CD2 3.97Å; L157-W365 HydrophobicContact CB-CG 4.03Å; L157-W365 HydrophobicContact CB-CZ2 4.44Å; L157-W365 HydrophobicContact CD1-CB 4.27Å; L157-W365 HydrophobicContact CD1-CD2 3.46Å; L157-W365 VanDerWaalsContact CD1-CD2 3.46Å; L157-W365 HydrophobicContact CD1-CE3 3.29Å; L157-W365 HydrophobicContact CD1-CG 3.89Å; L157-W365 HydrophobicContact CD1-CH2 4.32Å; L157-W365 HydrophobicContact CD1-CZ3 3.75Å; L157-W365 HydrophobicContact CG-CD2 4.33Å; L157-W365 HydrophobicContact CG-CG 4.5Å
158	T	93.6	Very high	96.4	Very high	59 Å²	59	32.6 Å²	32.6	36%	0.362	16%	0.157	S	C	.	.	H	α-helix	trans	-101.5	-20.4	-172.8	55.9	0	0	0	0	113.3	I155 P352 L355	I155-T158 PolarHBondContact O-N 2.83Å; I155-T158 VanDerWaalsContact O-N 3.15Å; I155-T158 PolarHBondContact O-OG1 3.19Å; T158-P352 HydrophobicContact CG2-CG 4.07Å; T158-L355 HydrophobicContact CG2-CD1 3.88Å
159	N	94.8	Very high	96.5	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.342	16%	0.157	S	C	.	.	S	Bend	trans	-137.5	143	-174.2	-61.5	84.7	0	0	0	110.3	I155 R156 V161 L349	I155-N159 HydrophobicContact CD1-CB 4.46Å; I155-N159 WeakPolarHBondContact CD1-OD1 3.33Å; I155-N159 HydrophobicContact CG1-CB 4.34Å; I155-N159 PolarHBondContact O-N 3.45Å; R156-N159 CarbonylContact C-O 3.58Å; R156-N159 VanDerWaalsContact CA-O 3.3Å; R156-N159 WeakPolarHBondContact CA-O 3.3Å; N159-V161 HydrophobicContact CB-CG2 3.99Å; N159-V161 PolarHBondContact O-N 2.86Å; N159-V161 VanDerWaalsContact O-N 3.08Å; N159-L349 HydrophobicContact CB-CD1 4.34Å
160	K	91.8	Very high	96.4	Very high	209 Å²	209	31.7 Å²	31.7	91%	0.909	15%	0.153	S	C	*	.			trans	-76.4	97.4	167.3	-65.6	-175.9	179.6	-177.6	0	108.7
161	V	95.3	Very high	96.1	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	16%	0.161	C	C	.	.			trans	-109.1	130.7	174.1	-175.5	0	0	0	0	106.8	I155 R156 N159 F165 V320 L349	I155-V161 HydrophobicContact CG1-CG2 4.13Å; I155-V161 HydrophobicContact CG2-CG2 4.12Å; R156-V161 HydrophobicContact CG-CB 4.2Å; R156-V161 VanDerWaalsContact CZ-O 3.3Å; R156-V161 PolarHBondContact NH1-O 3.22Å; N159-V161 HydrophobicContact CB-CG2 3.99Å; N159-V161 PolarHBondContact O-N 2.86Å; N159-V161 VanDerWaalsContact O-N 3.08Å; V161-F165 HydrophobicContact CG1-CB 4.04Å; V161-F165 HydrophobicContact CG1-CD1 3.55Å; V161-F165 HydrophobicContact CG1-CD2 4.49Å; V161-F165 HydrophobicContact CG1-CE1 4.06Å; V161-F165 HydrophobicContact CG1-CG 3.79Å; V161-V320 HydrophobicContact CG1-CB 4.24Å; V161-V320 HydrophobicContact CG1-CG1 3.97Å; V161-V320 HydrophobicContact CG1-CG2 4.36Å; V161-L349 HydrophobicContact CG2-CD1 3.52Å
162	E	94.8	Very high	95.7	Very high	139 Å²	139	34.3 Å²	34.3	65%	0.65	18%	0.179	S	C	*	.	P	Polyproline II helix	trans	-94.7	154.7	174.1	-66.2	-55.5	141.3	0	0	110.7
163	F	96.5	Very high	95.2	Very high	59 Å²	59	37 Å²	37	26%	0.259	21%	0.207	S	C	.	.	S	Bend	trans	-78.8	149	169.7	-57.3	-69.3	0	0	0	110.2	L153 F165 V180 Q181 V183	L153-F163 HydrophobicContact CD2-CE1 3.72Å; L153-F163 HydrophobicContact CD2-CZ 3.81Å; F163-F165 AromaticContact CD1-CD1 3.92Å; F163-F165 HydrophobicContact CD1-CD1 3.92Å; F163-F165 AromaticContact CD1-CE1 3.57Å; F163-F165 HydrophobicContact CD1-CE1 3.57Å; F163-F165 HydrophobicContact CE1-CD1 4.35Å; F163-F165 AromaticContact CE1-CE1 3.54Å; F163-F165 HydrophobicContact CE1-CE1 3.54Å; F163-F165 HydrophobicContact CE1-CZ 4.28Å; F163-V180 HydrophobicContact CD1-CB 4.46Å; F163-V180 HydrophobicContact CD1-CG1 3.86Å; F163-V180 HydrophobicContact CE1-CG1 3.55Å; F163-Q181 WeakPolarHBondContact CB-O 3.44Å; F163-V183 HydrophobicContact CE2-CG2 4.22Å; F163-V183 HydrophobicContact CZ-CG2 4.08Å
164	P	97.6	Very high	94.9	Very high	44 Å²	44	40.2 Å²	40.2	29%	0.286	22%	0.221	S	C	.	.	S	Bend	cis	-84.6	152.3	-7	34.1	-33.9	0	0	0	112.8	L179 V180 Q181 L313 L314	P164-L179 HydrophobicContact CB-CD1 4.2Å; P164-L179 HydrophobicContact CB-CG 4.48Å; P164-V180 WeakPolarHBondContact CA-O 3.27Å; P164-Q181 HydrophobicContact CB-CG 4.5Å; P164-L313 WeakPolarHBondContact CG-O 3.33Å; P164-L314 HydrophobicContact CG-CD2 4.48Å
165	F	98.4	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.1	171.5	63.1	-92.8	0	0	0	111.5	L153 V161 F163 V167 V180 V320 V322	L153-F165 HydrophobicContact CD2-CZ 4.2Å; V161-F165 HydrophobicContact CG1-CB 4.04Å; V161-F165 HydrophobicContact CG1-CD1 3.55Å; V161-F165 HydrophobicContact CG1-CD2 4.49Å; V161-F165 HydrophobicContact CG1-CE1 4.06Å; V161-F165 HydrophobicContact CG1-CG 3.79Å; F163-F165 AromaticContact CD1-CD1 3.92Å; F163-F165 HydrophobicContact CD1-CD1 3.92Å; F163-F165 AromaticContact CD1-CE1 3.57Å; F163-F165 HydrophobicContact CD1-CE1 3.57Å; F163-F165 HydrophobicContact CE1-CD1 4.35Å; F163-F165 AromaticContact CE1-CE1 3.54Å; F163-F165 HydrophobicContact CE1-CE1 3.54Å; F163-F165 HydrophobicContact CE1-CZ 4.28Å; F165-V167 HydrophobicContact CE2-CB 4.45Å; F165-V180 HydrophobicContact CD1-CB 4.27Å; F165-V180 HydrophobicContact CD2-CB 4.14Å; F165-V180 HydrophobicContact CD2-CG2 3.99Å; F165-V180 HydrophobicContact CE1-CB 3.98Å; F165-V180 HydrophobicContact CE1-CG1 3.97Å; F165-V180 HydrophobicContact CE2-CB 3.83Å; F165-V180 HydrophobicContact CE2-CG1 4.32Å; F165-V180 HydrophobicContact CE2-CG2 3.53Å; F165-V180 HydrophobicContact CG-CB 4.36Å; F165-V180 HydrophobicContact CZ-CB 3.75Å; F165-V180 HydrophobicContact CZ-CG1 3.77Å; F165-V180 HydrophobicContact CZ-CG2 3.87Å; F165-V180 PolarHBondContact N-O 3.06Å; F165-V180 VanDerWaalsContact N-O 3.11Å; F165-V180 PolarHBondContact O-N 3.26Å; F165-V320 HydrophobicContact CB-CB 3.97Å; F165-V320 HydrophobicContact CB-CG1 4.35Å; F165-V322 HydrophobicContact CD2-CB 4.25Å; F165-V322 HydrophobicContact CD2-CG2 3.46Å; F165-V322 VanDerWaalsContact CD2-CG2 3.46Å; F165-V322 HydrophobicContact CE2-CB 4.32Å; F165-V322 HydrophobicContact CE2-CG2 3.71Å; F165-V322 HydrophobicContact CG-CG2 4.34Å
166	L	98.5	Very high	95	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.3	173.8	-78.1	171	0	0	0	110.8	L179 L189 I305 L314 V320 L321 V322	L166-L179 HydrophobicContact CD2-CB 4.37Å; L166-L179 HydrophobicContact CD2-CD1 4.06Å; L166-L179 HydrophobicContact CG-CD1 4.4Å; L166-L189 HydrophobicContact CD2-CD1 3.48Å; L166-L189 VanDerWaalsContact CD2-CD1 3.48Å; L166-I305 HydrophobicContact CD1-CB 4.26Å; L166-I305 HydrophobicContact CD1-CG1 3.49Å; L166-I305 VanDerWaalsContact CD1-CG1 3.49Å; L166-L314 HydrophobicContact CD1-CD1 3.36Å; L166-L314 HydrophobicContact CD2-CD1 4.21Å; L166-L314 HydrophobicContact CG-CD1 3.47Å; L166-L314 VanDerWaalsContact CG-CD1 3.47Å; L166-L314 HydrophobicContact CG-CD2 4.37Å; L166-L314 HydrophobicContact CG-CG 4.44Å; L166-V320 PolarHBondContact N-O 3.26Å; L166-L321 HydrophobicContact CB-CD1 3.81Å; L166-V322 PolarHBondContact O-N 2.76Å
167	V	98.4	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.8	170.4	70.8	0	0	0	0	111.2	A152 F165 L169 L177 A178 V180 V322	A152-V167 HydrophobicContact CB-CB 4.37Å; A152-V167 HydrophobicContact CB-CG1 4.01Å; A152-V167 HydrophobicContact CB-CG2 4.02Å; F165-V167 HydrophobicContact CE2-CB 4.45Å; V167-L169 HydrophobicContact CG1-CG 4.45Å; V167-L169 HydrophobicContact CG2-CD2 3.4Å; V167-L169 HydrophobicContact CG2-CG 3.83Å; V167-L177 WeakPolarHBondContact O-CA 3.38Å; V167-A178 HydrophobicContact CG1-CB 3.98Å; V167-A178 PolarHBondContact N-O 2.59Å; V167-A178 PolarHBondContact O-N 2.93Å; V167-V180 HydrophobicContact CB-CG2 4.02Å; V167-V180 HydrophobicContact CG1-CG2 3.62Å; V167-V322 CarbonylContact C-O 3.55Å; V167-V322 WeakPolarHBondContact CA-O 3.48Å; V167-V322 HydrophobicContact CB-CB 4.42Å; V167-V322 HydrophobicContact CG2-CB 4.14Å; V167-V322 HydrophobicContact CG2-CG1 4.21Å
168	L	98.6	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	108	166.7	175.3	67.4	0	0	0	108	I170 L177 F251 I297 L321 V322 A323 S324 L337	L168-I170 HydrophobicContact CD1-CG2 3.71Å; L168-I170 HydrophobicContact CD2-CD1 4.04Å; L168-I170 HydrophobicContact CD2-CG1 4.43Å; L168-I170 HydrophobicContact CD2-CG2 4.37Å; L168-I170 HydrophobicContact CG-CD1 4.39Å; L168-I170 HydrophobicContact CG-CG1 4.23Å; L168-I170 HydrophobicContact CG-CG2 3.86Å; L168-L177 HydrophobicContact CB-CD2 3.75Å; L168-L177 HydrophobicContact CD1-CD2 3.61Å; L168-L177 HydrophobicContact CD1-CG 3.73Å; L168-L177 HydrophobicContact CG-CD2 4.23Å; L168-F251 HydrophobicContact CD1-CZ 3.89Å; L168-I297 HydrophobicContact CD2-CG2 3.63Å; L168-L321 HydrophobicContact CB-CD1 4.39Å; L168-V322 PolarHBondContact N-O 3.49Å; L168-A323 WeakPolarHBondContact O-CA 3.43Å; L168-S324 PolarHBondContact O-N 3.45Å; L168-L337 HydrophobicContact CD2-CD1 3.89Å; L168-L337 HydrophobicContact CD2-CD2 3.94Å
169	L	97.3	Very high	95.4	Very high	4 Å²	4	35 Å²	35	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.3	176.2	-58	-178.4	0	0	0	108.4	M148 H151 A152 V167 C175 L176 S324 L392	M148-L169 HydrophobicContact CB-CD1 4.08Å; M148-L169 HydrophobicContact CE-CB 3.9Å; M148-L169 HydrophobicContact CE-CD1 3.46Å; M148-L169 VanDerWaalsContact CE-CD1 3.46Å; M148-L169 HydrophobicContact CE-CG 4.3Å; M148-L169 WeakPolarHBondContact O-CD1 3.24Å; H151-L169 HydrophobicContact CB-CD1 4.35Å; H151-L169 HydrophobicContact CB-CD2 4.12Å; A152-L169 HydrophobicContact CB-CD1 4.32Å; V167-L169 HydrophobicContact CG1-CG 4.45Å; V167-L169 HydrophobicContact CG2-CD2 3.4Å; V167-L169 HydrophobicContact CG2-CG 3.83Å; L169-C175 CarbonylContact O-C 3.6Å; L169-C175 WeakPolarHBondContact O-CA 3.48Å; L169-L176 HydrophobicContact CB-CD1 3.97Å; L169-L176 HydrophobicContact CB-CG 4.08Å; L169-L176 HydrophobicContact CD1-CD1 3.79Å; L169-L176 HydrophobicContact CD1-CG 4.35Å; L169-L176 HydrophobicContact CG-CD1 3.92Å; L169-L176 PolarHBondContact N-O 3.48Å; L169-L176 PolarHBondContact O-N 3.4Å; L169-S324 WeakPolarHBondContact CA-O 3.4Å; L169-L392 HydrophobicContact CD1-CD2 4.45Å
170	I	95.8	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	104.2	-176.5	46.6	168.6	0	0	0	110.8	L168 H174 C175 P197 S324 G325 G326 V327 A328 V333	L168-I170 HydrophobicContact CD1-CG2 3.71Å; L168-I170 HydrophobicContact CD2-CD1 4.04Å; L168-I170 HydrophobicContact CD2-CG1 4.43Å; L168-I170 HydrophobicContact CD2-CG2 4.37Å; L168-I170 HydrophobicContact CG-CD1 4.39Å; L168-I170 HydrophobicContact CG-CG1 4.23Å; L168-I170 HydrophobicContact CG-CG2 3.86Å; I170-H174 WeakPolarHBondContact CA-O 3.23Å; I170-C175 HydrophobicContact CG2-CB 4.39Å; I170-P197 HydrophobicContact CB-CG 4.25Å; I170-P197 HydrophobicContact CG2-CG 4.23Å; I170-S324 PolarHBondContact N-O 3.01Å; I170-G325 CarbonylContact O-C 3.54Å; I170-G325 VanDerWaalsContact O-CA 3.31Å; I170-G325 WeakPolarHBondContact O-CA 3.38Å; I170-G326 PolarHBondContact O-N 2.92Å; I170-V327 HydrophobicContact CB-CB 4.15Å; I170-V327 HydrophobicContact CD1-CB 4.31Å; I170-V327 HydrophobicContact CD1-CG1 4.23Å; I170-V327 HydrophobicContact CG1-CB 4.31Å; I170-V327 WeakPolarHBondContact O-CB 3.47Å; I170-V327 PolarHBondContact O-N 3.21Å; I170-A328 HydrophobicContact CD1-CB 3.98Å; I170-A328 HydrophobicContact CG1-CB 3.83Å; I170-A328 PolarHBondContact O-N 3.01Å; I170-V333 HydrophobicContact CD1-CG1 3.87Å
171	S	91.5	Very high	95.9	Very high	25 Å²	25	25.2 Å²	25.2	18%	0.175	15%	0.15	C	C	.	.	S	Bend	trans	-130.3	-168.9	-177.7	76.9	0	0	0	0	112	G173 H174 G198	S171-G173 VanDerWaalsContact C-N 3.32Å; S171-G173 PolarHBondContact OG-N 3.03Å; S171-H174 PolarHBondContact N-O 2.74Å; S171-H174 PolarHBondContact OG-N 3.08Å; S171-G198 PolarHBondContact O-N 2.94Å
172	G	86.9	Confident	96	Very high	39 Å²	39	25.7 Å²	25.7	40%	0.402	16%	0.156	S	C	.	.	S	Bend	trans	-65.9	-32	170.1	0	0	0	0	0	113.5	A196 D199	G172-A196 WeakPolarHBondContact O-CB 3.17Å; G172-D199 WeakPolarHBondContact O-CB 3.16Å; G172-D199 PolarHBondContact O-N 2.98Å
173	G	86.8	Confident	96	Very high	57 Å²	57	19.8 Å²	19.8	59%	0.588	13%	0.13	S	C	*	.	S	Bend	trans	-110.3	-16.1	-175.8	0	0	0	0	0	115.1	S171	S171-G173 VanDerWaalsContact C-N 3.32Å; S171-G173 PolarHBondContact OG-N 3.03Å
174	H	91.6	Very high	95.9	Very high	67 Å²	67	19.5 Å²	19.5	31%	0.31	14%	0.135	S	C	.	.			trans	-134.1	144.3	-171.4	-57.8	105.4	0	0	0	112.2	M148 I170 S171	M148-H174 HydrophobicContact CE-CB 3.6Å; M148-H174 HydrophobicContact SD-CB 4.23Å; M148-H174 VanDerWaalsContact SD-CG 3.58Å; I170-H174 WeakPolarHBondContact CA-O 3.23Å; S171-H174 PolarHBondContact N-O 2.74Å; S171-H174 PolarHBondContact OG-N 3.08Å
175	C	96.6	Very high	95.9	Very high	6 Å²	6	21 Å²	21	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	109.1	166.5	179.9	0	0	0	0	108.6	L169 I170 K191 S192 P197 F251 F253	L169-C175 CarbonylContact O-C 3.6Å; L169-C175 WeakPolarHBondContact O-CA 3.48Å; I170-C175 HydrophobicContact CG2-CB 4.39Å; C175-K191 CarbonylContact O-C 3.53Å; C175-K191 WeakPolarHBondContact O-CA 3.29Å; C175-S192 PolarHBondContact O-N 2.98Å; C175-P197 VanDerWaalsContact CB-CD 3.43Å; C175-P197 HydrophobicContact CB-CG 4.19Å; C175-F251 VanDerWaalsContact SG-CD2 3.52Å; C175-F251 WeakPolarHBondContact SG-CG 3.4Å; C175-F253 HydrophobicContact CB-CE2 4.18Å
176	L	97.5	Very high	95.9	Very high	16 Å²	16	21 Å²	21	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.4	178.7	65.8	77.4	0	0	0	112.1	M148 L169 A178 L188 G190 K191 L392	M148-L176 HydrophobicContact CE-CD2 3.98Å; M148-L176 HydrophobicContact CE-CG 4.43Å; M148-L176 HydrophobicContact CG-CD2 4.5Å; L169-L176 HydrophobicContact CB-CD1 3.97Å; L169-L176 HydrophobicContact CB-CG 4.08Å; L169-L176 HydrophobicContact CD1-CD1 3.79Å; L169-L176 HydrophobicContact CD1-CG 4.35Å; L169-L176 HydrophobicContact CG-CD1 3.92Å; L169-L176 PolarHBondContact N-O 3.48Å; L169-L176 PolarHBondContact O-N 3.4Å; L176-A178 HydrophobicContact CD1-CB 4.25Å; L176-L188 HydrophobicContact CB-CD1 3.93Å; L176-L188 HydrophobicContact CD1-CD1 4.42Å; L176-L188 HydrophobicContact CD2-CD1 4.46Å; L176-G190 CarbonylContact C-O 3.56Å; L176-G190 WeakPolarHBondContact CA-O 3.18Å; L176-K191 HydrophobicContact CB-CB 4.19Å; L176-L392 HydrophobicContact CD1-CD2 3.72Å; L176-L392 HydrophobicContact CD2-CB 4.29Å; L176-L392 HydrophobicContact CD2-CD2 4.11Å
177	L	98.3	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127	171.9	-83.8	167.4	0	0	0	108.5	V167 L168 L189 G190 C249 F251 R300 T301 A304	V167-L177 WeakPolarHBondContact O-CA 3.38Å; L168-L177 HydrophobicContact CB-CD2 3.75Å; L168-L177 HydrophobicContact CD1-CD2 3.61Å; L168-L177 HydrophobicContact CD1-CG 3.73Å; L168-L177 HydrophobicContact CG-CD2 4.23Å; L177-L189 HydrophobicContact CB-CB 4.32Å; L177-L189 WeakPolarHBondContact O-CB 3.34Å; L177-L189 PolarHBondContact O-N 3.36Å; L177-G190 PolarHBondContact N-O 2.59Å; L177-G190 PolarHBondContact O-N 3.46Å; L177-C249 HydrophobicContact CD1-CB 4.21Å; L177-F251 HydrophobicContact CB-CE2 4.42Å; L177-F251 HydrophobicContact CD1-CE1 4.46Å; L177-F251 HydrophobicContact CD1-CE2 3.84Å; L177-F251 HydrophobicContact CD1-CZ 3.39Å; L177-F251 HydrophobicContact CG-CE2 3.93Å; L177-F251 HydrophobicContact CG-CZ 3.69Å; L177-R300 HydrophobicContact CD1-CB 4.04Å; L177-T301 HydrophobicContact CD2-CG2 4.11Å; L177-A304 HydrophobicContact CD1-CB 4.09Å
178	A	98.6	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.7	176.6	0	0	0	0	0	111.5	V167 L176 L187 L392	V167-A178 HydrophobicContact CG1-CB 3.98Å; V167-A178 PolarHBondContact N-O 2.59Å; V167-A178 PolarHBondContact O-N 2.93Å; L176-A178 HydrophobicContact CD1-CB 4.25Å; A178-L187 CarbonylContact C-O 3.48Å; A178-L187 WeakPolarHBondContact CA-O 3.36Å; A178-L187 WeakPolarHBondContact CB-O 3.45Å; A178-L392 HydrophobicContact CB-CD2 3.95Å
179	L	98.6	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.5	162.1	-174.9	73.8	0	0	0	108.3	P164 L166 Q181 F186 L187 L313 L314	P164-L179 HydrophobicContact CB-CD1 4.2Å; P164-L179 HydrophobicContact CB-CG 4.48Å; L166-L179 HydrophobicContact CD2-CB 4.37Å; L166-L179 HydrophobicContact CD2-CD1 4.06Å; L166-L179 HydrophobicContact CG-CD1 4.4Å; L179-Q181 HydrophobicContact CD2-CG 3.75Å; L179-Q181 HydrophobicContact CG-CG 4.06Å; L179-F186 CarbonylContact O-C 3.45Å; L179-F186 VanDerWaalsContact O-CA 3.32Å; L179-F186 WeakPolarHBondContact O-CA 3.4Å; L179-L187 HydrophobicContact CB-CB 4.22Å; L179-L187 HydrophobicContact CD2-CD1 4.08Å; L179-L187 PolarHBondContact N-O 3.5Å; L179-L187 PolarHBondContact O-N 2.69Å; L179-L313 HydrophobicContact CD2-CB 3.8Å; L179-L313 HydrophobicContact CD2-CD1 4.29Å; L179-L313 HydrophobicContact CD2-CG 4.45Å; L179-L314 HydrophobicContact CD1-CD1 4.34Å; L179-L314 HydrophobicContact CD1-CD2 3.53Å; L179-L314 HydrophobicContact CD1-CG 3.76Å
180	V	98.5	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.5	175.8	-168	0	0	0	0	108	A152 L153 F163 P164 F165 V167 G182 F186	A152-V180 HydrophobicContact CB-CG2 4.47Å; L153-V180 HydrophobicContact CD2-CG1 4.15Å; F163-V180 HydrophobicContact CD1-CB 4.46Å; F163-V180 HydrophobicContact CD1-CG1 3.86Å; F163-V180 HydrophobicContact CE1-CG1 3.55Å; P164-V180 WeakPolarHBondContact CA-O 3.27Å; F165-V180 HydrophobicContact CD1-CB 4.27Å; F165-V180 HydrophobicContact CD2-CB 4.14Å; F165-V180 HydrophobicContact CD2-CG2 3.99Å; F165-V180 HydrophobicContact CE1-CB 3.98Å; F165-V180 HydrophobicContact CE1-CG1 3.97Å; F165-V180 HydrophobicContact CE2-CB 3.83Å; F165-V180 HydrophobicContact CE2-CG1 4.32Å; F165-V180 HydrophobicContact CE2-CG2 3.53Å; F165-V180 HydrophobicContact CG-CB 4.36Å; F165-V180 HydrophobicContact CZ-CB 3.75Å; F165-V180 HydrophobicContact CZ-CG1 3.77Å; F165-V180 HydrophobicContact CZ-CG2 3.87Å; F165-V180 PolarHBondContact N-O 3.06Å; F165-V180 VanDerWaalsContact N-O 3.11Å; F165-V180 PolarHBondContact O-N 3.26Å; V167-V180 HydrophobicContact CB-CG2 4.02Å; V167-V180 HydrophobicContact CG1-CG2 3.62Å; V180-G182 WeakPolarHBondContact CG1-O 3.49Å; V180-F186 HydrophobicContact CB-CD1 4.27Å; V180-F186 HydrophobicContact CB-CE1 4.08Å; V180-F186 HydrophobicContact CG1-CD1 4.07Å; V180-F186 HydrophobicContact CG1-CE1 3.55Å; V180-F186 HydrophobicContact CG1-CE2 4.48Å; V180-F186 HydrophobicContact CG1-CZ 3.78Å; V180-F186 HydrophobicContact CG2-CD1 3.82Å; V180-F186 HydrophobicContact CG2-CE1 3.57Å
181	Q	97.3	Very high	96	Very high	68 Å²	68	25.8 Å²	25.8	32%	0.318	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-19.3	-179.6	-62.8	-173.3	-76.1	0	0	112.4	F163 P164 L179 D185 L187	F163-Q181 WeakPolarHBondContact CB-O 3.44Å; P164-Q181 HydrophobicContact CB-CG 4.5Å; L179-Q181 HydrophobicContact CD2-CG 3.75Å; L179-Q181 HydrophobicContact CG-CG 4.06Å; Q181-D185 HydrophobicContact CB-CB 4.27Å; Q181-D185 PolarHBondContact N-O 3.38Å; Q181-L187 VanDerWaalsContact OE1-CD1 3.32Å
182	G	96.9	Very high	96.2	Very high	13 Å²	13	25.7 Å²	25.7	13%	0.134	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-173.2	175.7	0	0	0	0	0	111.9	V180 S184 D185	V180-G182 WeakPolarHBondContact CG1-O 3.49Å; G182-S184 PolarHBondContact O-N 3.2Å; G182-D185 PolarHBondContact N-O 2.66Å; G182-D185 VanDerWaalsContact N-O 3.17Å; G182-D185 PolarHBondContact O-N 3.19Å
183	V	96.1	Very high	96.6	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.097	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.9	-176.2	177.6	0	0	0	0	113.1	L153 F163 E369 R370 A373	L153-V183 HydrophobicContact CD1-CG1 4.24Å; L153-V183 VanDerWaalsContact CD1-O 3.32Å; L153-V183 WeakPolarHBondContact CD1-O 3.37Å; F163-V183 HydrophobicContact CE2-CG2 4.22Å; F163-V183 HydrophobicContact CZ-CG2 4.08Å; V183-E369 HydrophobicContact CG1-CB 3.8Å; V183-E369 HydrophobicContact CG2-CB 4.05Å; V183-R370 HydrophobicContact CG1-CG 3.72Å; V183-A373 HydrophobicContact CG2-CB 4.26Å
184	S	94.4	Very high	97	Very high	52 Å²	52	29 Å²	29	36%	0.364	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	24.3	177.3	67.3	0	0	0	0	111.9	G182	G182-S184 PolarHBondContact O-N 3.2Å
185	D	97.1	Very high	97.2	Very high	75 Å²	75	27.2 Å²	27.2	40%	0.401	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.7	-178.9	-172.7	11.8	0	0	0	109.5	Q181 G182	Q181-D185 HydrophobicContact CB-CB 4.27Å; Q181-D185 PolarHBondContact N-O 3.38Å; G182-D185 PolarHBondContact N-O 2.66Å; G182-D185 VanDerWaalsContact N-O 3.17Å; G182-D185 PolarHBondContact O-N 3.19Å
186	F	98.4	Very high	97.1	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.5	-170.3	-67.9	-101.8	0	0	0	109.6	E149 A152 L153 L179 V180 L392 G393 V394	E149-F186 HydrophobicContact CB-CE2 3.99Å; E149-F186 HydrophobicContact CB-CZ 3.88Å; E149-F186 HydrophobicContact CG-CD2 4.05Å; E149-F186 HydrophobicContact CG-CE2 3.5Å; E149-F186 HydrophobicContact CG-CZ 3.82Å; A152-F186 HydrophobicContact CB-CE1 3.73Å; A152-F186 HydrophobicContact CB-CZ 4.31Å; L153-F186 HydrophobicContact CD1-CZ 4.18Å; L153-F186 HydrophobicContact CG-CZ 4.31Å; L179-F186 CarbonylContact O-C 3.45Å; L179-F186 VanDerWaalsContact O-CA 3.32Å; L179-F186 WeakPolarHBondContact O-CA 3.4Å; V180-F186 HydrophobicContact CB-CD1 4.27Å; V180-F186 HydrophobicContact CB-CE1 4.08Å; V180-F186 HydrophobicContact CG1-CD1 4.07Å; V180-F186 HydrophobicContact CG1-CE1 3.55Å; V180-F186 HydrophobicContact CG1-CE2 4.48Å; V180-F186 HydrophobicContact CG1-CZ 3.78Å; V180-F186 HydrophobicContact CG2-CD1 3.82Å; V180-F186 HydrophobicContact CG2-CE1 3.57Å; F186-L392 HydrophobicContact CB-CD1 4.2Å; F186-L392 HydrophobicContact CB-CG 4.13Å; F186-L392 HydrophobicContact CD1-CD1 3.85Å; F186-L392 HydrophobicContact CD1-CD2 4.06Å; F186-L392 HydrophobicContact CD1-CG 4.1Å; F186-L392 HydrophobicContact CD2-CD1 4.14Å; F186-L392 HydrophobicContact CE1-CD1 4.21Å; F186-L392 HydrophobicContact CG-CD1 3.81Å; F186-L392 HydrophobicContact CG-CG 4.17Å; F186-G393 CarbonylContact O-C 3.5Å; F186-G393 WeakPolarHBondContact O-CA 3.47Å; F186-V394 PolarHBondContact O-N 3.21Å
187	L	98.5	Very high	97	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.126	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.8	169.2	-54.5	179.8	0	0	0	109	A178 L179 Q181 L189 V394 I396	A178-L187 CarbonylContact C-O 3.48Å; A178-L187 WeakPolarHBondContact CA-O 3.36Å; A178-L187 WeakPolarHBondContact CB-O 3.45Å; L179-L187 HydrophobicContact CB-CB 4.22Å; L179-L187 HydrophobicContact CD2-CD1 4.08Å; L179-L187 PolarHBondContact N-O 3.5Å; L179-L187 PolarHBondContact O-N 2.69Å; Q181-L187 VanDerWaalsContact OE1-CD1 3.32Å; L187-L189 PolarHBondContact O-N 3.18Å; L187-V394 CarbonylContact C-O 3.57Å; L187-V394 WeakPolarHBondContact CA-O 3.38Å; L187-V394 HydrophobicContact CD2-CB 4.02Å; L187-I396 HydrophobicContact CB-CD1 3.78Å; L187-I396 HydrophobicContact CB-CG1 4.04Å; L187-I396 HydrophobicContact CD1-CD1 3.91Å; L187-I396 HydrophobicContact CD2-CG2 4.5Å; L187-I396 HydrophobicContact CG-CD1 4.39Å
188	L	98.5	Very high	96.8	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.1	176.8	178.2	72.5	0	0	0	109.7	L176 K191 L392 V394 D395 I396 S397	L176-L188 HydrophobicContact CB-CD1 3.93Å; L176-L188 HydrophobicContact CD1-CD1 4.42Å; L176-L188 HydrophobicContact CD2-CD1 4.46Å; L188-K191 HydrophobicContact CD2-CD 4.08Å; L188-L392 WeakPolarHBondContact CB-O 3.31Å; L188-V394 PolarHBondContact N-O 2.92Å; L188-D395 HydrophobicContact CD2-CB 4.31Å; L188-I396 WeakPolarHBondContact O-CG1 3.46Å; L188-I396 PolarHBondContact O-N 3.46Å; L188-S397 PolarHBondContact O-N 3.36Å
189	L	98.5	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-28	-176.9	-55.8	176.8	0	0	0	112.1	L166 L177 L187 C249 A304 F307 I396 S397 V400	L166-L189 HydrophobicContact CD2-CD1 3.48Å; L166-L189 VanDerWaalsContact CD2-CD1 3.48Å; L177-L189 HydrophobicContact CB-CB 4.32Å; L177-L189 WeakPolarHBondContact O-CB 3.34Å; L177-L189 PolarHBondContact O-N 3.36Å; L187-L189 PolarHBondContact O-N 3.18Å; L189-C249 WeakPolarHBondContact O-CB 3.41Å; L189-A304 HydrophobicContact CD1-CB 3.81Å; L189-F307 HydrophobicContact CD2-CD1 4.28Å; L189-F307 HydrophobicContact CD2-CE1 4.27Å; L189-I396 HydrophobicContact CD2-CD1 3.61Å; L189-I396 HydrophobicContact CD2-CG1 3.87Å; L189-S397 WeakPolarHBondContact O-CA 3.19Å; L189-S397 WeakPolarHBondContact O-CB 3.42Å; L189-V400 HydrophobicContact CB-CG2 4.32Å; L189-V400 HydrophobicContact CD2-CG2 4.02Å
190	G	97.8	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	157.2	176.8	0	0	0	0	0	112.3	L176 L177 D250	L176-G190 CarbonylContact C-O 3.56Å; L176-G190 WeakPolarHBondContact CA-O 3.18Å; L177-G190 PolarHBondContact N-O 2.59Å; L177-G190 PolarHBondContact O-N 3.46Å; G190-D250 WeakPolarHBondContact CA-OD1 3.49Å
191	K	97.3	Very high	96.3	Very high	77 Å²	77	29 Å²	29	34%	0.335	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	166.3	-178.8	59.9	-179.1	171.1	-129.3	0	111.3	C175 L176 L188 L193 D250 F251 D395	C175-K191 CarbonylContact O-C 3.53Å; C175-K191 WeakPolarHBondContact O-CA 3.29Å; L176-K191 HydrophobicContact CB-CB 4.19Å; L188-K191 HydrophobicContact CD2-CD 4.08Å; K191-L193 PolarHBondContact O-N 2.86Å; K191-D250 PolarHBondContact N-OD1 3Å; K191-D250 VanDerWaalsContact N-OD1 3.14Å; K191-D250 WeakPolarHBondContact O-CA 3.29Å; K191-D250 WeakPolarHBondContact O-CB 3.23Å; K191-F251 PolarHBondContact O-N 3.38Å; K191-D395 IonicContact NZ-OD2 3.19Å; K191-D395 PolarHBondContact NZ-OD2 3.35Å
192	S	96.3	Very high	96.1	Very high	23 Å²	23	28.5 Å²	28.5	16%	0.161	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-64.6	133.8	169.3	-164.3	0	0	0	0	110.5	C175 D194 I195 F251	C175-S192 PolarHBondContact O-N 2.98Å; S192-D194 VanDerWaalsContact C-N 3.33Å; S192-D194 PolarHBondContact OG-N 3.45Å; S192-I195 PolarHBondContact OG-O 2.97Å; S192-F251 WeakPolarHBondContact CA-O 3.34Å
193	L	95.6	Very high	96	Very high	106 Å²	106	30.7 Å²	30.7	56%	0.555	17%	0.165	S	C	*	.	S	Bend	trans	-83.4	-16	172.4	-56.8	178.8	0	0	0	111.8	K191 L243 D250 F251	K191-L193 PolarHBondContact O-N 2.86Å; L193-L243 HydrophobicContact CD1-CD1 4.15Å; L193-D250 HydrophobicContact CD1-CB 4.16Å; L193-D250 HydrophobicContact CD2-CB 4.08Å; L193-D250 HydrophobicContact CG-CB 3.99Å; L193-F251 PolarHBondContact N-O 2.88Å
194	D	95.1	Very high	96	Very high	60 Å²	60	29.9 Å²	29.9	32%	0.321	16%	0.16	S	C	.	.	S	Bend	trans	-136.4	-126.5	-177.2	59.7	36.9	0	0	0	111.8	S192 S252 F253 T254	S192-D194 VanDerWaalsContact C-N 3.33Å; S192-D194 PolarHBondContact OG-N 3.45Å; D194-S252 WeakPolarHBondContact OD1-CA 3.32Å; D194-S252 WeakPolarHBondContact OD2-CB 3.48Å; D194-S252 PolarHBondContact OD2-OG 2.98Å; D194-F253 PolarHBondContact OD1-N 3.43Å; D194-F253 PolarHBondContact OD2-N 3.48Å; D194-T254 WeakPolarHBondContact CB-OG1 3.32Å; D194-T254 VanDerWaalsContact CG-OG1 3.23Å; D194-T254 PolarHBondContact OD1-N 3.45Å; D194-T254 WeakPolarHBondContact OD2-CB 3.34Å; D194-T254 PolarHBondContact OD2-N 3.12Å; D194-T254 PolarHBondContact OD2-OG1 2.97Å
195	I	94.3	Very high	96	Very high	29 Å²	29	27.6 Å²	27.6	15%	0.149	15%	0.145	C	C	.	.			trans	-75.5	161.7	179.6	66.1	-178.5	0	0	0	111	S192 D199 M200 K203 F253 Q257	S192-I195 PolarHBondContact OG-O 2.97Å; I195-D199 WeakPolarHBondContact CB-OD2 3.23Å; I195-D199 WeakPolarHBondContact CG2-OD2 3.24Å; I195-M200 HydrophobicContact CD1-CB 3.68Å; I195-M200 HydrophobicContact CD1-CG 4.21Å; I195-M200 HydrophobicContact CG1-CB 4.22Å; I195-K203 HydrophobicContact CD1-CD 4.49Å; I195-F253 HydrophobicContact CD1-CB 4.48Å; I195-F253 HydrophobicContact CG1-CB 3.92Å; I195-F253 VanDerWaalsContact O-CD2 3.31Å; I195-F253 WeakPolarHBondContact O-CD2 3.49Å; I195-Q257 HydrophobicContact CD1-CB 4.4Å
196	A	94.9	Very high	95.8	Very high	6 Å²	6	31.1 Å²	31.1	5%	0.05	15%	0.152	C	C	.	.			trans	-82.4	160.2	172.5	0	0	0	0	0	111.1	G172 G198 D199 M200	G172-A196 WeakPolarHBondContact O-CB 3.17Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 3.17Å; A196-D199 PolarHBondContact O-N 2.85Å; A196-M200 PolarHBondContact O-N 3.36Å
197	P	96.2	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-35.5	-178.7	22.3	-30.2	0	0	0	112.2	I170 C175 M200 L201 F253 M293 V327	I170-P197 HydrophobicContact CB-CG 4.25Å; I170-P197 HydrophobicContact CG2-CG 4.23Å; C175-P197 VanDerWaalsContact CB-CD 3.43Å; C175-P197 HydrophobicContact CB-CG 4.19Å; P197-M200 PolarHBondContact O-N 3.22Å; P197-L201 VanDerWaalsContact O-CG 3.29Å; P197-L201 WeakPolarHBondContact O-CG 3.13Å; P197-L201 PolarHBondContact O-N 3.41Å; P197-F253 HydrophobicContact CB-CD1 4.24Å; P197-F253 HydrophobicContact CB-CD2 4.49Å; P197-F253 HydrophobicContact CB-CE1 3.89Å; P197-F253 HydrophobicContact CB-CE2 4.15Å; P197-F253 HydrophobicContact CB-CZ 3.82Å; P197-F253 HydrophobicContact CG-CE2 4.17Å; P197-F253 HydrophobicContact CG-CZ 4.05Å; P197-M293 HydrophobicContact CB-CG 4.24Å; P197-M293 HydrophobicContact CB-SD 3.6Å; P197-V327 HydrophobicContact CB-CG1 4.34Å; P197-V327 HydrophobicContact CB-CG2 4.44Å; P197-V327 HydrophobicContact CG-CG1 4.39Å; P197-V327 HydrophobicContact CG-CG2 4.2Å
198	G	94.1	Very high	95.5	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-45.9	177.9	0	0	0	0	0	112.2	S171 A196 M200 L201 D202 V327	S171-G198 PolarHBondContact O-N 2.94Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 3.17Å; G198-M200 VanDerWaalsContact C-N 3.3Å; G198-M200 PolarHBondContact O-N 3.46Å; G198-L201 PolarHBondContact O-N 3.5Å; G198-L201 VanDerWaalsContact O-N 3.16Å; G198-D202 PolarHBondContact O-N 3.24Å; G198-V327 VanDerWaalsContact CA-CG2 3.49Å
199	D	93.4	Very high	95.2	Very high	45 Å²	45	31.8 Å²	31.8	24%	0.241	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-38.9	173.5	177	36.5	0	0	0	112	G172 I195 A196 D202 K203	G172-D199 WeakPolarHBondContact O-CB 3.16Å; G172-D199 PolarHBondContact O-N 2.98Å; I195-D199 WeakPolarHBondContact CB-OD2 3.23Å; I195-D199 WeakPolarHBondContact CG2-OD2 3.24Å; A196-D199 PolarHBondContact O-N 2.85Å; D199-D202 PolarHBondContact O-N 3.37Å; D199-K203 VanDerWaalsContact CG-NZ 3.32Å; D199-K203 WeakPolarHBondContact O-CB 3.37Å; D199-K203 WeakPolarHBondContact O-CG 3.48Å; D199-K203 PolarHBondContact O-N 2.95Å; D199-K203 WeakPolarHBondContact OD1-CD 3.36Å; D199-K203 WeakPolarHBondContact OD1-CE 3.47Å; D199-K203 IonicContact OD1-NZ 2.76Å; D199-K203 PolarHBondContact OD1-NZ 3.37Å; D199-K203 IonicContact OD2-NZ 3.74Å; D199-K203 PolarHBondContact OD2-NZ 3.19Å
200	M	96.4	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-48	173.2	-178.2	-91	-59.7	0	0	112	I195 A196 P197 G198 D202 K203 V204 F253 L256 Q257 V289 M293	I195-M200 HydrophobicContact CD1-CB 3.68Å; I195-M200 HydrophobicContact CD1-CG 4.21Å; I195-M200 HydrophobicContact CG1-CB 4.22Å; A196-M200 PolarHBondContact O-N 3.36Å; P197-M200 PolarHBondContact O-N 3.22Å; G198-M200 VanDerWaalsContact C-N 3.3Å; G198-M200 PolarHBondContact O-N 3.46Å; M200-D202 PolarHBondContact O-N 3.12Å; M200-K203 PolarHBondContact O-N 2.94Å; M200-V204 WeakPolarHBondContact O-CG2 3.33Å; M200-V204 PolarHBondContact O-N 3.46Å; M200-V204 HydrophobicContact SD-CG2 4.07Å; M200-F253 HydrophobicContact CB-CB 3.92Å; M200-F253 HydrophobicContact CE-CB 4.49Å; M200-F253 HydrophobicContact CE-CD1 4.01Å; M200-F253 HydrophobicContact CG-CB 4.05Å; M200-L256 HydrophobicContact CE-CD2 3.85Å; M200-L256 HydrophobicContact SD-CD2 4.33Å; M200-L256 HydrophobicContact SD-CG 4.41Å; M200-Q257 HydrophobicContact CG-CB 3.9Å; M200-Q257 HydrophobicContact CG-CG 4.49Å; M200-V289 HydrophobicContact CE-CG1 4.38Å; M200-V289 HydrophobicContact SD-CG1 3.81Å; M200-M293 HydrophobicContact CE-CB 3.92Å; M200-M293 HydrophobicContact CE-CG 3.67Å; M200-M293 HydrophobicContact CE-SD 3.59Å; M200-M293 VanDerWaalsContact CE-SD 3.59Å
201	L	96.1	Very high	94.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-42.4	177.5	-68.8	172	0	0	0	111.8	P197 G198 K203 V204 A205 I225 V289 M293	P197-L201 VanDerWaalsContact O-CG 3.29Å; P197-L201 WeakPolarHBondContact O-CG 3.13Å; P197-L201 PolarHBondContact O-N 3.41Å; G198-L201 PolarHBondContact O-N 3.5Å; G198-L201 VanDerWaalsContact O-N 3.16Å; L201-K203 PolarHBondContact O-N 2.83Å; L201-V204 PolarHBondContact O-N 3.29Å; L201-A205 VanDerWaalsContact O-CB 3.32Å; L201-A205 WeakPolarHBondContact O-CB 3.31Å; L201-A205 PolarHBondContact O-N 3.16Å; L201-I225 HydrophobicContact CD2-CB 4.36Å; L201-I225 HydrophobicContact CD2-CG1 4.5Å; L201-I225 HydrophobicContact CD2-CG2 3.89Å; L201-V289 HydrophobicContact CD2-CG1 4.4Å; L201-M293 HydrophobicContact CD1-CE 3.94Å; L201-M293 HydrophobicContact CD1-SD 3.86Å; L201-M293 HydrophobicContact CD2-CE 4.32Å; L201-M293 HydrophobicContact CD2-SD 4.03Å; L201-M293 HydrophobicContact CG-CE 4.45Å; L201-M293 HydrophobicContact CG-SD 3.89Å
202	D	93.1	Very high	94.1	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-40.1	178.6	-71.4	-24	0	0	0	111.9	G198 D199 M200 R206 G221 G222	G198-D202 PolarHBondContact O-N 3.24Å; D199-D202 PolarHBondContact O-N 3.37Å; M200-D202 PolarHBondContact O-N 3.12Å; D202-R206 WeakPolarHBondContact O-CB 3.47Å; D202-R206 PolarHBondContact O-N 2.92Å; D202-G221 WeakPolarHBondContact OD1-CA 3.38Å; D202-G221 PolarHBondContact OD1-N 3.25Å; D202-G222 PolarHBondContact OD1-N 2.83Å
203	K	94.3	Very high	93.8	Very high	58 Å²	58	41 Å²	41	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-40.9	173.9	-77.1	167.7	174.6	160.9	0	112.3	I195 D199 M200 L201 R206 R207 Q257	I195-K203 HydrophobicContact CD1-CD 4.49Å; D199-K203 VanDerWaalsContact CG-NZ 3.32Å; D199-K203 WeakPolarHBondContact O-CB 3.37Å; D199-K203 WeakPolarHBondContact O-CG 3.48Å; D199-K203 PolarHBondContact O-N 2.95Å; D199-K203 WeakPolarHBondContact OD1-CD 3.36Å; D199-K203 WeakPolarHBondContact OD1-CE 3.47Å; D199-K203 IonicContact OD1-NZ 2.76Å; D199-K203 PolarHBondContact OD1-NZ 3.37Å; D199-K203 IonicContact OD2-NZ 3.74Å; D199-K203 PolarHBondContact OD2-NZ 3.19Å; M200-K203 PolarHBondContact O-N 2.94Å; L201-K203 PolarHBondContact O-N 2.83Å; K203-R206 PolarHBondContact O-N 3Å; K203-R207 WeakPolarHBondContact O-CB 3.07Å; K203-R207 PolarHBondContact O-N 3.42Å; K203-Q257 HydrophobicContact CB-CG 4.37Å
204	V	96.1	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-45	176.6	171.3	0	0	0	0	110.8	M200 L201 R206 R207 L208 I225 Q257 T260 V289	M200-V204 WeakPolarHBondContact O-CG2 3.33Å; M200-V204 PolarHBondContact O-N 3.46Å; M200-V204 HydrophobicContact SD-CG2 4.07Å; L201-V204 PolarHBondContact O-N 3.29Å; V204-R206 VanDerWaalsContact C-N 3.29Å; V204-R206 PolarHBondContact O-N 2.89Å; V204-R207 PolarHBondContact O-N 3.39Å; V204-R207 VanDerWaalsContact O-N 3.12Å; V204-L208 HydrophobicContact CG1-CD1 4.04Å; V204-L208 HydrophobicContact CG1-CG 4.49Å; V204-L208 PolarHBondContact O-N 3.01Å; V204-I225 HydrophobicContact CG1-CD1 3.88Å; V204-Q257 HydrophobicContact CG2-CG 4.41Å; V204-T260 HydrophobicContact CG1-CG2 3.86Å; V204-T260 HydrophobicContact CG2-CG2 4.05Å; V204-V289 HydrophobicContact CG1-CG2 4.48Å; V204-V289 HydrophobicContact CG2-CG1 4.48Å
205	A	95	Very high	93.3	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-42.1	176.2	0	0	0	0	0	112	L201 L208 S209 L210 I225	L201-A205 VanDerWaalsContact O-CB 3.32Å; L201-A205 WeakPolarHBondContact O-CB 3.31Å; L201-A205 PolarHBondContact O-N 3.16Å; A205-L208 PolarHBondContact O-N 2.9Å; A205-S209 PolarHBondContact O-N 3.35Å; A205-L210 HydrophobicContact CB-CD1 3.94Å; A205-L210 HydrophobicContact CB-CG 4.43Å; A205-L210 WeakPolarHBondContact O-CG 3.42Å; A205-L210 PolarHBondContact O-N 2.74Å; A205-L210 VanDerWaalsContact O-N 3.09Å; A205-I225 HydrophobicContact CB-CD1 4.25Å; A205-I225 HydrophobicContact CB-CG1 3.96Å
206	R	92.6	Very high	93.1	Very high	148 Å²	148	41.4 Å²	41.4	56%	0.558	20%	0.204	S	C	*	.	H	α-helix	trans	-63.2	-44.7	174.6	-168.2	-175.8	-54.2	140.5	7	111.6	D202 K203 V204 L208 S209	D202-R206 WeakPolarHBondContact O-CB 3.47Å; D202-R206 PolarHBondContact O-N 2.92Å; K203-R206 PolarHBondContact O-N 3Å; V204-R206 VanDerWaalsContact C-N 3.29Å; V204-R206 PolarHBondContact O-N 2.89Å; R206-L208 VanDerWaalsContact C-N 3.3Å; R206-L208 PolarHBondContact O-N 3.15Å; R206-S209 PolarHBondContact O-N 3.26Å
207	R	94.8	Very high	92.7	Very high	31 Å²	31	44 Å²	44	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-30.2	-179.5	-173.3	58.7	-174	82.2	-7	113.1	K203 V204 S209 I264 M265 E268 E275	K203-R207 WeakPolarHBondContact O-CB 3.07Å; K203-R207 PolarHBondContact O-N 3.42Å; V204-R207 PolarHBondContact O-N 3.39Å; V204-R207 VanDerWaalsContact O-N 3.12Å; R207-S209 PolarHBondContact O-N 3.26Å; R207-I264 HydrophobicContact CB-CD1 4.12Å; R207-I264 HydrophobicContact CG-CD1 3.75Å; R207-I264 HydrophobicContact CG-CG2 4.18Å; R207-M265 VanDerWaalsContact NH2-CG 3.34Å; R207-E268 IonicContact CZ-OE1 2.74Å; R207-E268 IonicContact CZ-OE2 2.83Å; R207-E268 VanDerWaalsContact NH1-CD 3.35Å; R207-E268 IonicContact NH1-OE1 3.94Å; R207-E268 PolarHBondContact NH1-OE1 2.67Å; R207-E268 IonicContact NH1-OE2 3.46Å; R207-E268 PolarHBondContact NH1-OE2 3.33Å; R207-E268 IonicContact NH2-OE1 3.64Å; R207-E268 IonicContact NH2-OE2 3.76Å; R207-E268 PolarHBondContact NH2-OE2 2.68Å; R207-E275 IonicContact CZ-OE1 3.98Å; R207-E275 IonicContact NE-OE1 3.44Å
208	L	94.9	Very high	92.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.5	171.2	-74.7	175.1	0	0	0	113.5	V204 A205 R206 L210 I225 I264 L279 A282 I285	V204-L208 HydrophobicContact CG1-CD1 4.04Å; V204-L208 HydrophobicContact CG1-CG 4.49Å; V204-L208 PolarHBondContact O-N 3.01Å; A205-L208 PolarHBondContact O-N 2.9Å; R206-L208 VanDerWaalsContact C-N 3.3Å; R206-L208 PolarHBondContact O-N 3.15Å; L208-L210 HydrophobicContact CB-CD2 3.76Å; L208-L210 HydrophobicContact CB-CG 3.79Å; L208-L210 HydrophobicContact CD1-CD2 4.47Å; L208-L210 PolarHBondContact O-N 2.83Å; L208-I225 HydrophobicContact CD1-CD1 3.96Å; L208-I264 HydrophobicContact CD2-CD1 3.65Å; L208-I264 HydrophobicContact CD2-CG1 3.74Å; L208-I264 HydrophobicContact CG-CD1 3.76Å; L208-I264 HydrophobicContact CG-CG1 4.42Å; L208-L279 HydrophobicContact CD2-CD1 4.17Å; L208-A282 HydrophobicContact CD2-CB 4.3Å; L208-I285 HydrophobicContact CD1-CB 4.46Å; L208-I285 HydrophobicContact CD1-CG2 4.1Å; L208-I285 HydrophobicContact CD2-CB 4.35Å; L208-I285 HydrophobicContact CD2-CD1 4.02Å; L208-I285 HydrophobicContact CD2-CG2 4.18Å
209	S	93.8	Very high	91.7	Very high	11 Å²	11	52.5 Å²	52.5	8%	0.077	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	33.6	-178.1	-52.5	0	0	0	0	113.5	A205 R206 R207 I211 K212 G276	A205-S209 PolarHBondContact O-N 3.35Å; R206-S209 PolarHBondContact O-N 3.26Å; R207-S209 PolarHBondContact O-N 3.26Å; S209-I211 PolarHBondContact O-N 3.18Å; S209-K212 WeakPolarHBondContact O-CB 3.32Å; S209-K212 PolarHBondContact O-N 3.43Å; S209-G276 WeakPolarHBondContact OG-CA 3.38Å
210	L	91.8	Very high	91.3	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.2	-173.5	-63	-170.6	0	0	0	113.6	A205 L208 K212 H213 C216 A224 I225 L228	A205-L210 HydrophobicContact CB-CD1 3.94Å; A205-L210 HydrophobicContact CB-CG 4.43Å; A205-L210 WeakPolarHBondContact O-CG 3.42Å; A205-L210 PolarHBondContact O-N 2.74Å; A205-L210 VanDerWaalsContact O-N 3.09Å; L208-L210 HydrophobicContact CB-CD2 3.76Å; L208-L210 HydrophobicContact CB-CG 3.79Å; L208-L210 HydrophobicContact CD1-CD2 4.47Å; L208-L210 PolarHBondContact O-N 2.83Å; L210-K212 PolarHBondContact O-N 3.03Å; L210-H213 VanDerWaalsContact O-CB 3.25Å; L210-H213 WeakPolarHBondContact O-CB 3.29Å; L210-H213 PolarHBondContact O-N 2.92Å; L210-C216 HydrophobicContact CB-CB 4.18Å; L210-C216 WeakPolarHBondContact O-CB 3.15Å; L210-A224 HydrophobicContact CB-CB 4.27Å; L210-A224 HydrophobicContact CD1-CB 3.79Å; L210-I225 HydrophobicContact CD1-CD1 3.82Å; L210-I225 HydrophobicContact CD1-CG1 4.25Å; L210-L228 HydrophobicContact CD2-CD2 3.72Å
211	I	88.1	Confident	91	Very high	127 Å²	127	54.6 Å²	54.6	65%	0.651	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.6	172.1	-161.9	166	0	0	0	112.8	S209 S217	S209-I211 PolarHBondContact O-N 3.18Å; I211-S217 WeakPolarHBondContact O-CA 3.46Å; I211-S217 VanDerWaalsContact O-CB 3.23Å; I211-S217 WeakPolarHBondContact O-CB 3.47Å
212	K	90	Very high	90.8	Very high	136 Å²	136	55.2 Å²	55.2	59%	0.591	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-91.3	-5.7	174.8	-60.5	-178.4	-175.5	-178.7	0	112.7	S209 L210 G276 V278	S209-K212 WeakPolarHBondContact O-CB 3.32Å; S209-K212 PolarHBondContact O-N 3.43Å; L210-K212 PolarHBondContact O-N 3.03Å; K212-G276 WeakPolarHBondContact CD-O 3.33Å; K212-G276 WeakPolarHBondContact CE-O 3.38Å; K212-G276 PolarHBondContact NZ-O 2.81Å; K212-V278 HydrophobicContact CB-CG2 4.2Å
213	H	90.3	Very high	90.7	Very high	27 Å²	27	58.4 Å²	58.4	13%	0.125	31%	0.308	C	S	.	.	S	Bend	trans	-75.2	131.6	175	-171.9	-74.2	0	0	0	109.3	L210 E215 C216 S217 V278	L210-H213 VanDerWaalsContact O-CB 3.25Å; L210-H213 WeakPolarHBondContact O-CB 3.29Å; L210-H213 PolarHBondContact O-N 2.92Å; H213-E215 VanDerWaalsContact C-N 3.25Å; H213-E215 PolarHBondContact ND1-N 3.45Å; H213-E215 VanDerWaalsContact ND1-N 3.19Å; H213-E215 PolarHBondContact O-N 3.27Å; H213-E215 VanDerWaalsContact O-N 3.14Å; H213-C216 HydrophobicContact CB-CB 4.12Å; H213-C216 PolarHBondContact O-N 3.46Å; H213-S217 PolarHBondContact O-N 3.12Å; H213-V278 HydrophobicContact CB-CG2 4.33Å
214	P	88.3	Confident	90.8	Very high	113 Å²	113	55.7 Å²	55.7	73%	0.734	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-43	-174.9	-28.4	34.2	0	0	0	113.5
215	E	91.4	Very high	90.8	Very high	91 Å²	91	55.7 Å²	55.7	43%	0.425	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.3	-177.6	-58.7	-179.7	-151.9	0	0	115.1	H213 M219 H227 Q231	H213-E215 VanDerWaalsContact C-N 3.25Å; H213-E215 PolarHBondContact ND1-N 3.45Å; H213-E215 VanDerWaalsContact ND1-N 3.19Å; H213-E215 PolarHBondContact O-N 3.27Å; H213-E215 VanDerWaalsContact O-N 3.14Å; E215-M219 VanDerWaalsContact O-CE 3.24Å; E215-M219 WeakPolarHBondContact O-CE 3.25Å; E215-H227 IonicContact OE2-CD2 3.39Å; E215-H227 IonicContact OE2-CE1 2.76Å; E215-H227 IonicContact OE2-NE2 3.93Å; E215-H227 PolarHBondContact OE2-NE2 3.09Å; E215-Q231 PolarHBondContact OE2-NE2 3.24Å
216	C	90.9	Very high	90.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-2.9	-169.8	-63.1	0	0	0	0	114.3	L210 H213 T218 M219 A224	L210-C216 HydrophobicContact CB-CB 4.18Å; L210-C216 WeakPolarHBondContact O-CB 3.15Å; H213-C216 HydrophobicContact CB-CB 4.12Å; H213-C216 PolarHBondContact O-N 3.46Å; C216-T218 PolarHBondContact O-N 2.82Å; C216-M219 PolarHBondContact O-N 3Å; C216-A224 HydrophobicContact CB-CB 3.82Å
217	S	85.8	Confident	91.1	Very high	59 Å²	59	52.4 Å²	52.4	41%	0.413	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.6	-172.7	58.5	0	0	0	0	115.5	I211 H213	I211-S217 WeakPolarHBondContact O-CA 3.46Å; I211-S217 VanDerWaalsContact O-CB 3.23Å; I211-S217 WeakPolarHBondContact O-CB 3.47Å; H213-S217 PolarHBondContact O-N 3.12Å
218	T	82.5	Confident	91.2	Very high	132 Å²	132	51.1 Å²	51.1	81%	0.81	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	4.2	-178.8	57.7	0	0	0	0	113.6	C216	C216-T218 PolarHBondContact O-N 2.82Å
219	M	87.5	Confident	91.3	Very high	53 Å²	53	51.4 Å²	51.4	26%	0.261	29%	0.285	S	S	.	.	S	Bend	trans	-97.1	148.7	-176	-60.9	-171.5	-173.8	0	0	111.7	E215 C216 K223 A224 H227	E215-M219 VanDerWaalsContact O-CE 3.24Å; E215-M219 WeakPolarHBondContact O-CE 3.25Å; C216-M219 PolarHBondContact O-N 3Å; M219-K223 HydrophobicContact CB-CB 4.37Å; M219-K223 HydrophobicContact CB-CD 4.49Å; M219-K223 HydrophobicContact CB-CG 4.43Å; M219-K223 HydrophobicContact CG-CD 4.4Å; M219-K223 HydrophobicContact SD-CD 4.45Å; M219-K223 HydrophobicContact SD-CG 4.12Å; M219-A224 HydrophobicContact CB-CB 4.1Å; M219-H227 HydrophobicContact CE-CB 4.49Å; M219-H227 HydrophobicContact SD-CB 4Å
220	S	84.3	Confident	91.5	Very high	75 Å²	75	58.4 Å²	58.4	52%	0.524	31%	0.314	S	S	.	.			trans	-64.1	155.6	164.3	61	0	0	0	0	110.5	G222 K223 A224	S220-G222 PolarHBondContact O-N 3.04Å; S220-K223 PolarHBondContact O-N 3.19Å; S220-K223 WeakPolarHBondContact OG-CB 3.37Å; S220-A224 WeakPolarHBondContact O-CB 3.46Å; S220-A224 PolarHBondContact O-N 3.21Å
221	G	89.3	Confident	91.6	Very high	14 Å²	14	64 Å²	64	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-46.9	-172.1	0	0	0	0	0	113.1	D202 K223 A224 I225	D202-G221 WeakPolarHBondContact OD1-CA 3.38Å; D202-G221 PolarHBondContact OD1-N 3.25Å; G221-K223 VanDerWaalsContact C-N 3.31Å; G221-K223 PolarHBondContact O-N 3.14Å; G221-A224 PolarHBondContact O-N 2.96Å; G221-I225 WeakPolarHBondContact O-CG1 3.14Å; G221-I225 PolarHBondContact O-N 3.18Å
222	G	92.1	Very high	92	Very high	17 Å²	17	58.9 Å²	58.9	18%	0.175	32%	0.318	C	S	.	.	H	α-helix	trans	-55.5	-40.7	172.8	0	0	0	0	0	114.5	D202 S220 E226	D202-G222 PolarHBondContact OD1-N 2.83Å; S220-G222 PolarHBondContact O-N 3.04Å; G222-E226 PolarHBondContact O-N 2.94Å
223	K	92.2	Very high	92.3	Very high	124 Å²	124	56.1 Å²	56.1	54%	0.539	31%	0.31	S	S	.	.	H	α-helix	trans	-73	-38.7	178.2	-173.5	177.9	-179.7	-178.8	0	112	M219 S220 G221 E226 H227	M219-K223 HydrophobicContact CB-CB 4.37Å; M219-K223 HydrophobicContact CB-CD 4.49Å; M219-K223 HydrophobicContact CB-CG 4.43Å; M219-K223 HydrophobicContact CG-CD 4.4Å; M219-K223 HydrophobicContact SD-CD 4.45Å; M219-K223 HydrophobicContact SD-CG 4.12Å; S220-K223 PolarHBondContact O-N 3.19Å; S220-K223 WeakPolarHBondContact OG-CB 3.37Å; G221-K223 VanDerWaalsContact C-N 3.31Å; G221-K223 PolarHBondContact O-N 3.14Å; K223-E226 PolarHBondContact O-N 2.87Å; K223-H227 WeakPolarHBondContact O-CB 3.35Å; K223-H227 PolarHBondContact O-N 3.28Å
224	A	94.8	Very high	92.5	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-44.5	175.3	0	0	0	0	0	111.5	L210 C216 M219 S220 G221 H227 L228	L210-A224 HydrophobicContact CB-CB 4.27Å; L210-A224 HydrophobicContact CD1-CB 3.79Å; C216-A224 HydrophobicContact CB-CB 3.82Å; M219-A224 HydrophobicContact CB-CB 4.1Å; S220-A224 WeakPolarHBondContact O-CB 3.46Å; S220-A224 PolarHBondContact O-N 3.21Å; G221-A224 PolarHBondContact O-N 2.96Å; A224-H227 PolarHBondContact O-N 3.08Å; A224-L228 WeakPolarHBondContact O-CB 3.09Å; A224-L228 PolarHBondContact O-N 3.34Å
225	I	97.4	Very high	92.8	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-47.5	175.4	-67.8	-71.8	0	0	0	110.6	L201 V204 A205 L208 L210 G221 H227 L228 A229 A286 Q290	L201-I225 HydrophobicContact CD2-CB 4.36Å; L201-I225 HydrophobicContact CD2-CG1 4.5Å; L201-I225 HydrophobicContact CD2-CG2 3.89Å; V204-I225 HydrophobicContact CG1-CD1 3.88Å; A205-I225 HydrophobicContact CB-CD1 4.25Å; A205-I225 HydrophobicContact CB-CG1 3.96Å; L208-I225 HydrophobicContact CD1-CD1 3.96Å; L210-I225 HydrophobicContact CD1-CD1 3.82Å; L210-I225 HydrophobicContact CD1-CG1 4.25Å; G221-I225 WeakPolarHBondContact O-CG1 3.14Å; G221-I225 PolarHBondContact O-N 3.18Å; I225-H227 VanDerWaalsContact C-N 3.35Å; I225-H227 PolarHBondContact O-N 3.21Å; I225-L228 PolarHBondContact O-N 3.06Å; I225-A229 WeakPolarHBondContact O-CB 3.5Å; I225-A229 PolarHBondContact O-N 3.38Å; I225-A286 HydrophobicContact CD1-CB 4.11Å; I225-A286 HydrophobicContact CG2-CB 4.14Å; I225-Q290 HydrophobicContact CG2-CB 4.36Å
226	E	97.2	Very high	92.8	Very high	34 Å²	34	58.8 Å²	58.8	16%	0.159	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-42.8	178.3	-178.6	169.6	-157.7	0	0	113.3	G222 K223 N330 F331	G222-E226 PolarHBondContact O-N 2.94Å; K223-E226 PolarHBondContact O-N 2.87Å; E226-N330 WeakPolarHBondContact CB-ND2 3.48Å; E226-N330 VanDerWaalsContact CD-ND2 3.27Å; E226-N330 PolarHBondContact OE2-ND2 3.31Å; E226-F331 WeakPolarHBondContact OE1-CA 3.31Å; E226-F331 VanDerWaalsContact OE1-CB 3.24Å; E226-F331 WeakPolarHBondContact OE1-CB 3.45Å; E226-F331 PolarHBondContact OE1-N 3.46Å
227	H	96.9	Very high	92.9	Very high	49 Å²	49	59.2 Å²	59.2	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-49.4	179.9	-179.1	76.8	0	0	0	110.9	E215 M219 K223 A224 I225 K230	E215-H227 IonicContact OE2-CD2 3.39Å; E215-H227 IonicContact OE2-CE1 2.76Å; E215-H227 IonicContact OE2-NE2 3.93Å; E215-H227 PolarHBondContact OE2-NE2 3.09Å; M219-H227 HydrophobicContact CE-CB 4.49Å; M219-H227 HydrophobicContact SD-CB 4Å; K223-H227 WeakPolarHBondContact O-CB 3.35Å; K223-H227 PolarHBondContact O-N 3.28Å; A224-H227 PolarHBondContact O-N 3.08Å; I225-H227 VanDerWaalsContact C-N 3.35Å; I225-H227 PolarHBondContact O-N 3.21Å; H227-K230 WeakPolarHBondContact O-CB 3.41Å; H227-K230 PolarHBondContact O-N 3Å
228	L	96.7	Very high	93.2	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-71.1	-34.6	-177.5	-163.3	69.2	0	0	0	112.5	L210 A224 I225 K230 Q231 A282 A283 A286	L210-L228 HydrophobicContact CD2-CD2 3.72Å; A224-L228 WeakPolarHBondContact O-CB 3.09Å; A224-L228 PolarHBondContact O-N 3.34Å; I225-L228 PolarHBondContact O-N 3.06Å; L228-K230 PolarHBondContact O-N 3.17Å; L228-K230 VanDerWaalsContact O-N 3.12Å; L228-Q231 PolarHBondContact O-N 2.99Å; L228-A282 HydrophobicContact CD2-CB 3.73Å; L228-A283 HydrophobicContact CD1-CB 4.36Å; L228-A283 HydrophobicContact CG-CB 3.95Å; L228-A286 HydrophobicContact CB-CB 4.26Å; L228-A286 HydrophobicContact CD2-CB 4.36Å
229	A	97.4	Very high	93.5	Very high	8 Å²	8	57.2 Å²	57.2	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-25.2	178.3	0	0	0	0	0	113.8	I225 Q231 G232 A286 A287	I225-A229 WeakPolarHBondContact O-CB 3.5Å; I225-A229 PolarHBondContact O-N 3.38Å; A229-Q231 PolarHBondContact O-N 3.05Å; A229-G232 PolarHBondContact O-N 3.2Å; A229-G232 VanDerWaalsContact O-N 3.15Å; A229-A286 HydrophobicContact CB-CB 4.22Å; A229-A287 HydrophobicContact CB-CB 4.13Å
230	K	96.6	Very high	93.5	Very high	159 Å²	159	62.4 Å²	62.4	69%	0.691	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27	176.2	-67.2	174.5	-177.5	174.8	0	113.3	H227 L228	H227-K230 WeakPolarHBondContact O-CB 3.41Å; H227-K230 PolarHBondContact O-N 3Å; L228-K230 PolarHBondContact O-N 3.17Å; L228-K230 VanDerWaalsContact O-N 3.12Å
231	Q	95.2	Very high	93.6	Very high	120 Å²	120	60.5 Å²	60.5	56%	0.561	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.2	-178	-54.5	178.8	21.3	0	0	112.1	E215 L228 A229 A283	E215-Q231 PolarHBondContact OE2-NE2 3.24Å; L228-Q231 PolarHBondContact O-N 2.99Å; A229-Q231 PolarHBondContact O-N 3.05Å; Q231-A283 HydrophobicContact CB-CB 4.27Å
232	G	95.5	Very high	93.4	Very high	19 Å²	19	60.8 Å²	60.8	20%	0.196	30%	0.295	C	S	.	.	S	Bend	trans	-102.4	156.6	-175	0	0	0	0	0	113.8	A229 D284	A229-G232 PolarHBondContact O-N 3.2Å; A229-G232 VanDerWaalsContact O-N 3.15Å; G232-D284 WeakPolarHBondContact CA-OD1 3.38Å
233	N	95.9	Very high	93.1	Very high	78 Å²	78	62.9 Å²	62.9	42%	0.417	30%	0.302	S	S	.	.			trans	-89.4	108.8	170.1	177.1	2.5	0	0	0	110.5	F235 H236 D284	N233-F235 PolarHBondContact O-N 2.66Å; N233-F235 VanDerWaalsContact O-N 3.07Å; N233-F235 PolarHBondContact OD1-N 2.88Å; N233-H236 HydrophobicContact CB-CB 4.08Å; N233-H236 WeakPolarHBondContact O-CB 3.42Å; N233-H236 PolarHBondContact O-N 3.05Å; N233-D284 PolarHBondContact N-OD1 3.09Å
234	R	94.9	Very high	92.5	Very high	64 Å²	64	61.3 Å²	61.3	24%	0.242	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.9	177.7	65.6	179.6	176	-122.3	11.2	115.6	A287 H291 Y332 I414	R234-A287 HydrophobicContact CB-CB 4.26Å; R234-H291 HydrophobicContact CB-CB 3.89Å; R234-Y332 WeakPolarHBondContact CD-OH 3.42Å; R234-I414 PolarHBondContact NH1-O 3.38Å
235	F	93.5	Very high	92.1	Very high	136 Å²	136	69.3 Å²	69.3	60%	0.596	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	3.4	178.7	-57.3	-58.9	0	0	0	112.9	N233 F237 H291	N233-F235 PolarHBondContact O-N 2.66Å; N233-F235 VanDerWaalsContact O-N 3.07Å; N233-F235 PolarHBondContact OD1-N 2.88Å; F235-F237 PolarHBondContact O-N 3.3Å; F235-H291 AromaticContact CE1-NE2 3.98Å
236	H	93.3	Very high	91.7	Very high	88 Å²	88	70.7 Å²	70.7	41%	0.407	34%	0.344	S	S	.	.	S	Bend	trans	-64	-32	-178.6	-170.6	88.9	0	0	0	112	N233 D284	N233-H236 HydrophobicContact CB-CB 4.08Å; N233-H236 WeakPolarHBondContact O-CB 3.42Å; N233-H236 PolarHBondContact O-N 3.05Å; H236-D284 HydrophobicContact CB-CB 3.95Å; H236-D284 IonicContact CD2-OD2 2.66Å; H236-D284 IonicContact CE1-OD2 3.93Å; H236-D284 IonicContact CG-OD2 3.73Å; H236-D284 IonicContact ND1-OD2 3.73Å
237	F	92.8	Very high	91.6	Very high	10 Å²	10	73.5 Å²	73.5	4%	0.044	36%	0.356	C	S	.	.	S	Bend	trans	-122	127.4	175.7	-55.7	-58.3	0	0	0	111.3	F235 I239 R263 K267 D284 I285 T288	F235-F237 PolarHBondContact O-N 3.3Å; F237-I239 HydrophobicContact CB-CG1 4.45Å; F237-I239 PolarHBondContact O-N 2.95Å; F237-R263 HydrophobicContact CD1-CG 4.45Å; F237-R263 HydrophobicContact CE1-CG 4.34Å; F237-R263 HydrophobicContact CG-CG 4.46Å; F237-R263 HydrophobicContact CZ-CG 4.37Å; F237-K267 HydrophobicContact CZ-CG 4.48Å; F237-D284 HydrophobicContact CD2-CB 4.45Å; F237-D284 HydrophobicContact CE2-CB 3.88Å; F237-I285 HydrophobicContact CD2-CG1 4.06Å; F237-I285 HydrophobicContact CE2-CB 4.37Å; F237-I285 HydrophobicContact CE2-CD1 4.4Å; F237-I285 HydrophobicContact CE2-CG1 3.37Å; F237-I285 HydrophobicContact CZ-CG1 4.09Å; F237-T288 HydrophobicContact CB-CG2 3.98Å; F237-T288 WeakPolarHBondContact O-CG2 3.06Å
238	D	90.6	Very high	91.5	Very high	131 Å²	131	72.6 Å²	72.6	70%	0.701	35%	0.353	S	S	*	.			trans	-76.7	104.5	171.3	-176.7	19.6	0	0	0	110
239	I	90.4	Very high	91.5	Very high	17 Å²	17	72.5 Å²	72.5	9%	0.087	35%	0.352	C	S	.	.			trans	-122.9	116.3	171.9	-56.1	-178.5	0	0	0	108.1	F237 L256 V259 T288 T292	F237-I239 HydrophobicContact CB-CG1 4.45Å; F237-I239 PolarHBondContact O-N 2.95Å; I239-L256 HydrophobicContact CG2-CD1 3.54Å; I239-V259 HydrophobicContact CD1-CG1 4.38Å; I239-V259 HydrophobicContact CG1-CG1 4.3Å; I239-V259 HydrophobicContact CG2-CG1 4.01Å; I239-T288 HydrophobicContact CB-CG2 4.19Å; I239-T288 HydrophobicContact CD1-CG2 3.74Å; I239-T288 HydrophobicContact CG1-CG2 3.89Å; I239-T292 HydrophobicContact CG2-CG2 4.14Å
240	K	87.5	Confident	91.5	Very high	163 Å²	163	72.9 Å²	72.9	71%	0.709	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-74.2	137.6	179.1	-65.3	-175.7	-178.7	178.5	0	110.7
241	P	84.7	Confident	91.6	Very high	35 Å²	35	65.3 Å²	65.3	23%	0.227	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-57.1	139.8	173.3	-27.2	35.1	0	0	0	112.4	T292 C295 H296	P241-T292 HydrophobicContact CB-CG2 4.44Å; P241-T292 HydrophobicContact CG-CG2 4.23Å; P241-C295 HydrophobicContact CG-CB 4.39Å; P241-H296 HydrophobicContact CB-CB 4.27Å
242	P	86.3	Confident	91.7	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.123	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	153.5	176	-27.1	36.8	0	0	0	113.3	H244 S252 L256 H296	P242-H244 PolarHBondContact O-N 3.05Å; P242-S252 VanDerWaalsContact CB-O 3.25Å; P242-S252 WeakPolarHBondContact CB-O 3.46Å; P242-S252 VanDerWaalsContact CG-O 3.28Å; P242-S252 WeakPolarHBondContact CG-O 3.33Å; P242-L256 HydrophobicContact CG-CB 3.92Å; P242-H296 PolarHBondContact O-CE1 3.43Å; P242-H296 VanDerWaalsContact O-CE1 3.26Å; P242-H296 PolarHBondContact O-ND1 3.46Å
243	L	85.8	Confident	91.7	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.325	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	28.3	175.3	-60.9	174.3	0	0	0	113.6	L193 H245 A246 R300	L193-L243 HydrophobicContact CD1-CD1 4.15Å; L243-H245 PolarHBondContact O-N 3.25Å; L243-A246 HydrophobicContact CB-CB 3.98Å; L243-A246 WeakPolarHBondContact O-CB 3.38Å; L243-A246 PolarHBondContact O-N 3.21Å; L243-R300 VanDerWaalsContact C-NH2 3.34Å; L243-R300 PolarHBondContact O-NH2 3.43Å
244	H	78.8	Confident	91.7	Very high	91 Å²	91	58.1 Å²	58.1	42%	0.421	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-34.7	-169.8	-179.7	-92.7	0	0	0	114.6	P242 K299	P242-H244 PolarHBondContact O-N 3.05Å; H244-K299 PolarHBondContact CD2-NZ 3.33Å; H244-K299 PolarHBondContact NE2-NZ 3.3Å; H244-K299 VanDerWaalsContact NE2-NZ 3.13Å; H244-K299 PolarHBondContact O-NZ 3.27Å
245	H	86.1	Confident	91.6	Very high	170 Å²	170	56.9 Å²	56.9	79%	0.787	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-14	-180	-59.8	-70.6	0	0	0	114.5	L243 K247	L243-H245 PolarHBondContact O-N 3.25Å; H245-K247 PolarHBondContact O-N 3.22Å
246	A	90.8	Very high	91.7	Very high	28 Å²	28	50.5 Å²	50.5	23%	0.231	26%	0.264	C	S	.	.			trans	-69.7	132	179.5	0	0	0	0	0	110.2	L243 N248 R300	L243-A246 HydrophobicContact CB-CB 3.98Å; L243-A246 WeakPolarHBondContact O-CB 3.38Å; L243-A246 PolarHBondContact O-N 3.21Å; A246-N248 WeakPolarHBondContact CB-OD1 3.47Å; A246-R300 PolarHBondContact O-NH1 3.24Å
247	K	94.1	Very high	91.9	Very high	93 Å²	93	47.4 Å²	47.4	40%	0.404	25%	0.25	S	S	.	.			trans	-100.2	24.5	-179.8	-56.6	-176.7	-176.2	175.6	0	113.1	H245 R303 A404	H245-K247 PolarHBondContact O-N 3.22Å; K247-R303 WeakPolarHBondContact O-CD 3.49Å; K247-A404 HydrophobicContact CD-CB 3.79Å; K247-A404 WeakPolarHBondContact CD-O 3.38Å
248	N	95.3	Very high	92	Very high	31 Å²	31	51.1 Å²	51.1	17%	0.166	27%	0.268	C	S	.	.	S	Bend	trans	-100.4	-179	173	59.3	7.9	0	0	0	111.1	A246 D250 R300 R303	A246-N248 WeakPolarHBondContact CB-OD1 3.47Å; N248-D250 PolarHBondContact ND2-OD2 3.42Å; N248-R300 WeakPolarHBondContact O-CD 3.37Å; N248-R300 PolarHBondContact O-NH1 2.94Å; N248-R300 PolarHBondContact OD1-NH1 2.82Å; N248-R303 WeakPolarHBondContact O-CD 3.41Å; N248-R303 PolarHBondContact O-NH1 3.42Å
249	C	97	Very high	92.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-103.1	18.2	173.2	-66.6	0	0	0	0	113.4	L177 L189 F251 R300 A304 V400	L177-C249 HydrophobicContact CD1-CB 4.21Å; L189-C249 WeakPolarHBondContact O-CB 3.41Å; C249-F251 VanDerWaalsContact O-CE2 3.31Å; C249-F251 WeakPolarHBondContact O-CE2 3.47Å; C249-R300 PolarHBondContact SG-O 3.2Å; C249-R300 VanDerWaalsContact SG-O 3.4Å; C249-A304 PolarHBondContact SG-N 2.88Å; C249-A304 VanDerWaalsContact SG-N 3.44Å; C249-V400 HydrophobicContact CB-CG1 4.27Å; C249-V400 VanDerWaalsContact SG-CG1 3.51Å
250	D	97.6	Very high	92.5	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.091	25%	0.25	C	S	.	.			trans	-77.3	151.9	178.1	-62.3	-42.6	0	0	0	112.7	G190 K191 L193 N248 R300	G190-D250 WeakPolarHBondContact CA-OD1 3.49Å; K191-D250 PolarHBondContact N-OD1 3Å; K191-D250 VanDerWaalsContact N-OD1 3.14Å; K191-D250 WeakPolarHBondContact O-CA 3.29Å; K191-D250 WeakPolarHBondContact O-CB 3.23Å; L193-D250 HydrophobicContact CD1-CB 4.16Å; L193-D250 HydrophobicContact CD2-CB 4.08Å; L193-D250 HydrophobicContact CG-CB 3.99Å; N248-D250 PolarHBondContact ND2-OD2 3.42Å; D250-R300 WeakPolarHBondContact O-CD 3.38Å; D250-R300 PolarHBondContact O-NE 3.37Å
251	F	97.6	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-111.5	158.7	-179.4	-52.4	-96.6	0	0	0	111.5	L168 C175 L177 K191 S192 L193 C249 F253 I297 R300	L168-F251 HydrophobicContact CD1-CZ 3.89Å; C175-F251 VanDerWaalsContact SG-CD2 3.52Å; C175-F251 WeakPolarHBondContact SG-CG 3.4Å; L177-F251 HydrophobicContact CB-CE2 4.42Å; L177-F251 HydrophobicContact CD1-CE1 4.46Å; L177-F251 HydrophobicContact CD1-CE2 3.84Å; L177-F251 HydrophobicContact CD1-CZ 3.39Å; L177-F251 HydrophobicContact CG-CE2 3.93Å; L177-F251 HydrophobicContact CG-CZ 3.69Å; K191-F251 PolarHBondContact O-N 3.38Å; S192-F251 WeakPolarHBondContact CA-O 3.34Å; L193-F251 PolarHBondContact N-O 2.88Å; C249-F251 VanDerWaalsContact O-CE2 3.31Å; C249-F251 WeakPolarHBondContact O-CE2 3.47Å; F251-F253 HydrophobicContact CB-CD2 4.34Å; F251-F253 HydrophobicContact CB-CE2 3.51Å; F251-F253 HydrophobicContact CB-CZ 3.95Å; F251-F253 HydrophobicContact CD1-CE2 4.43Å; F251-F253 HydrophobicContact CD1-CZ 4.05Å; F251-F253 HydrophobicContact CG-CE2 4.28Å; F251-F253 HydrophobicContact CG-CZ 4.36Å; F251-I297 HydrophobicContact CE1-CG1 4.35Å; F251-R300 HydrophobicContact CD1-CB 4.07Å; F251-R300 HydrophobicContact CD1-CG 3.76Å; F251-R300 HydrophobicContact CE1-CB 3.44Å; F251-R300 VanDerWaalsContact CE1-CB 3.44Å; F251-R300 HydrophobicContact CE1-CG 3.68Å; F251-R300 HydrophobicContact CE2-CB 4.45Å; F251-R300 HydrophobicContact CG-CG 4.42Å; F251-R300 HydrophobicContact CZ-CB 3.68Å; F251-R300 HydrophobicContact CZ-CG 4.26Å
252	S	96.7	Very high	93.5	Very high	19 Å²	19	46.3 Å²	46.3	13%	0.133	24%	0.243	C	C	.	.			trans	-159.3	130.3	174.9	166.7	0	0	0	0	107.1	D194 P242 H296	D194-S252 WeakPolarHBondContact OD1-CA 3.32Å; D194-S252 WeakPolarHBondContact OD2-CB 3.48Å; D194-S252 PolarHBondContact OD2-OG 2.98Å; P242-S252 VanDerWaalsContact CB-O 3.25Å; P242-S252 WeakPolarHBondContact CB-O 3.46Å; P242-S252 VanDerWaalsContact CG-O 3.28Å; P242-S252 WeakPolarHBondContact CG-O 3.33Å; S252-H296 PolarHBondContact N-NE2 3.05Å
253	F	97.1	Very high	93.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.			trans	-129.3	-15.3	-174.6	-58.8	-81.4	0	0	0	112.3	C175 D194 I195 P197 M200 F251 G255 L256 Q257 M293 H296 I297	C175-F253 HydrophobicContact CB-CE2 4.18Å; D194-F253 PolarHBondContact OD1-N 3.43Å; D194-F253 PolarHBondContact OD2-N 3.48Å; I195-F253 HydrophobicContact CD1-CB 4.48Å; I195-F253 HydrophobicContact CG1-CB 3.92Å; I195-F253 VanDerWaalsContact O-CD2 3.31Å; I195-F253 WeakPolarHBondContact O-CD2 3.49Å; P197-F253 HydrophobicContact CB-CD1 4.24Å; P197-F253 HydrophobicContact CB-CD2 4.49Å; P197-F253 HydrophobicContact CB-CE1 3.89Å; P197-F253 HydrophobicContact CB-CE2 4.15Å; P197-F253 HydrophobicContact CB-CZ 3.82Å; P197-F253 HydrophobicContact CG-CE2 4.17Å; P197-F253 HydrophobicContact CG-CZ 4.05Å; M200-F253 HydrophobicContact CB-CB 3.92Å; M200-F253 HydrophobicContact CE-CB 4.49Å; M200-F253 HydrophobicContact CE-CD1 4.01Å; M200-F253 HydrophobicContact CG-CB 4.05Å; F251-F253 HydrophobicContact CB-CD2 4.34Å; F251-F253 HydrophobicContact CB-CE2 3.51Å; F251-F253 HydrophobicContact CB-CZ 3.95Å; F251-F253 HydrophobicContact CD1-CE2 4.43Å; F251-F253 HydrophobicContact CD1-CZ 4.05Å; F251-F253 HydrophobicContact CG-CE2 4.28Å; F251-F253 HydrophobicContact CG-CZ 4.36Å; F253-G255 VanDerWaalsContact C-N 3.32Å; F253-G255 PolarHBondContact O-N 3.49Å; F253-L256 PolarHBondContact O-N 3.31Å; F253-Q257 PolarHBondContact O-N 2.99Å; F253-M293 HydrophobicContact CD1-CG 4.13Å; F253-M293 HydrophobicContact CE1-CG 3.76Å; F253-H296 AromaticContact CE1-CD2 3.79Å; F253-I297 HydrophobicContact CE1-CG1 4.33Å; F253-I297 HydrophobicContact CZ-CG1 4.16Å
254	T	95	Very high	94.4	Very high	46 Å²	46	45.7 Å²	45.7	28%	0.282	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-41.6	175.1	-61.8	0	0	0	0	111.3	D194 L256 Q257 Q258	D194-T254 WeakPolarHBondContact CB-OG1 3.32Å; D194-T254 VanDerWaalsContact CG-OG1 3.23Å; D194-T254 PolarHBondContact OD1-N 3.45Å; D194-T254 WeakPolarHBondContact OD2-CB 3.34Å; D194-T254 PolarHBondContact OD2-N 3.12Å; D194-T254 PolarHBondContact OD2-OG1 2.97Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 2.69Å; T254-Q257 WeakPolarHBondContact O-CB 3.49Å; T254-Q257 PolarHBondContact O-N 3.19Å; T254-Q258 HydrophobicContact CG2-CG 4.23Å; T254-Q258 VanDerWaalsContact O-CG 3.27Å; T254-Q258 WeakPolarHBondContact O-CG 3.25Å; T254-Q258 PolarHBondContact O-N 3.07Å
255	G	93.6	Very high	95.2	Very high	39 Å²	39	46.6 Å²	46.6	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-43.1	176.8	0	0	0	0	0	112.8	F253 Q258 V259	F253-G255 VanDerWaalsContact C-N 3.32Å; F253-G255 PolarHBondContact O-N 3.49Å; G255-Q258 PolarHBondContact O-N 2.74Å; G255-V259 WeakPolarHBondContact O-CG2 3.37Å; G255-V259 PolarHBondContact O-N 3.29Å
256	L	95.5	Very high	95.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.3	178.1	55.5	0	0	0	111.2	M200 I239 P242 F253 T254 Q258 V259 T260 T292 M293	M200-L256 HydrophobicContact CE-CD2 3.85Å; M200-L256 HydrophobicContact SD-CD2 4.33Å; M200-L256 HydrophobicContact SD-CG 4.41Å; I239-L256 HydrophobicContact CG2-CD1 3.54Å; P242-L256 HydrophobicContact CG-CB 3.92Å; F253-L256 PolarHBondContact O-N 3.31Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 2.69Å; L256-Q258 PolarHBondContact O-N 3.19Å; L256-V259 PolarHBondContact O-N 2.95Å; L256-T260 WeakPolarHBondContact O-CB 3.41Å; L256-T260 PolarHBondContact O-N 3.34Å; L256-T260 PolarHBondContact O-OG1 2.57Å; L256-T292 HydrophobicContact CD1-CG2 3.74Å; L256-T292 HydrophobicContact CD2-CG2 4.12Å; L256-M293 HydrophobicContact CD2-CB 4.11Å
257	Q	96	Very high	95.8	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-48.1	175	-172.3	-133.7	-6.3	0	0	111.5	I195 M200 K203 V204 F253 T254 T260 N261	I195-Q257 HydrophobicContact CD1-CB 4.4Å; M200-Q257 HydrophobicContact CG-CB 3.9Å; M200-Q257 HydrophobicContact CG-CG 4.49Å; K203-Q257 HydrophobicContact CB-CG 4.37Å; V204-Q257 HydrophobicContact CG2-CG 4.41Å; F253-Q257 PolarHBondContact O-N 2.99Å; T254-Q257 WeakPolarHBondContact O-CB 3.49Å; T254-Q257 PolarHBondContact O-N 3.19Å; Q257-T260 WeakPolarHBondContact O-CB 3.41Å; Q257-T260 PolarHBondContact O-N 3.02Å; Q257-N261 VanDerWaalsContact O-CG 3.3Å; Q257-N261 PolarHBondContact O-N 3.3Å; Q257-N261 PolarHBondContact O-OD1 3.05Å
258	Q	95.4	Very high	95.9	Very high	88 Å²	88	41.3 Å²	41.3	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-67.1	-41.5	-177.5	-67.6	-62	-43	0	0	112.7	T254 G255 L256 T260 N261 K262	T254-Q258 HydrophobicContact CG2-CG 4.23Å; T254-Q258 VanDerWaalsContact O-CG 3.27Å; T254-Q258 WeakPolarHBondContact O-CG 3.25Å; T254-Q258 PolarHBondContact O-N 3.07Å; G255-Q258 PolarHBondContact O-N 2.74Å; L256-Q258 PolarHBondContact O-N 3.19Å; Q258-T260 VanDerWaalsContact C-N 3.29Å; Q258-T260 PolarHBondContact O-N 3.06Å; Q258-N261 PolarHBondContact O-N 3.02Å; Q258-K262 WeakPolarHBondContact O-CG 3.22Å; Q258-K262 PolarHBondContact O-N 3.14Å
259	V	95.9	Very high	95.8	Very high	70 Å²	70	48.7 Å²	48.7	42%	0.424	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-39.5	175.1	172	0	0	0	0	110.8	I239 G255 L256 K262 R263	I239-V259 HydrophobicContact CD1-CG1 4.38Å; I239-V259 HydrophobicContact CG1-CG1 4.3Å; I239-V259 HydrophobicContact CG2-CG1 4.01Å; G255-V259 WeakPolarHBondContact O-CG2 3.37Å; G255-V259 PolarHBondContact O-N 3.29Å; L256-V259 PolarHBondContact O-N 2.95Å; V259-K262 PolarHBondContact O-N 3.44Å; V259-R263 PolarHBondContact O-N 3.26Å
260	T	96.8	Very high	95.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-47.7	175.5	-55.6	0	0	0	0	111.4	V204 L256 Q257 Q258 K262 R263 I264 I285 V289	V204-T260 HydrophobicContact CG1-CG2 3.86Å; V204-T260 HydrophobicContact CG2-CG2 4.05Å; L256-T260 WeakPolarHBondContact O-CB 3.41Å; L256-T260 PolarHBondContact O-N 3.34Å; L256-T260 PolarHBondContact O-OG1 2.57Å; Q257-T260 WeakPolarHBondContact O-CB 3.41Å; Q257-T260 PolarHBondContact O-N 3.02Å; Q258-T260 VanDerWaalsContact C-N 3.29Å; Q258-T260 PolarHBondContact O-N 3.06Å; T260-K262 VanDerWaalsContact C-N 3.32Å; T260-K262 PolarHBondContact O-N 2.88Å; T260-R263 WeakPolarHBondContact O-CA 3.44Å; T260-R263 VanDerWaalsContact O-CB 3.28Å; T260-R263 WeakPolarHBondContact O-CB 3.44Å; T260-R263 PolarHBondContact O-N 3.3Å; T260-I264 HydrophobicContact CG2-CD1 4Å; T260-I264 HydrophobicContact CG2-CG1 4.47Å; T260-I264 WeakPolarHBondContact O-CG1 3.42Å; T260-I264 PolarHBondContact O-N 2.98Å; T260-I285 HydrophobicContact CG2-CG2 3.75Å; T260-V289 HydrophobicContact CG2-CG2 3.45Å; T260-V289 VanDerWaalsContact CG2-CG2 3.45Å; T260-V289 VanDerWaalsContact OG1-CG2 3.31Å; T260-V289 WeakPolarHBondContact OG1-CG2 3.4Å
261	N	95.9	Very high	95.6	Very high	25 Å²	25	56 Å²	56	13%	0.134	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-43.3	178	-72.9	0.9	0	0	0	111.9	Q257 Q258 R263 I264 M265	Q257-N261 VanDerWaalsContact O-CG 3.3Å; Q257-N261 PolarHBondContact O-N 3.3Å; Q257-N261 PolarHBondContact O-OD1 3.05Å; Q258-N261 PolarHBondContact O-N 3.02Å; N261-R263 VanDerWaalsContact C-N 3.27Å; N261-R263 PolarHBondContact O-N 2.92Å; N261-I264 PolarHBondContact O-N 3.37Å; N261-M265 WeakPolarHBondContact O-CG 3.25Å; N261-M265 PolarHBondContact O-N 3.37Å
262	K	95.6	Very high	95.4	Very high	150 Å²	150	59.3 Å²	59.3	65%	0.652	31%	0.308	S	S	*	.	H	α-helix	trans	-60.8	-36.8	174.5	-72.5	179	-178.7	-177.6	0	112.2	Q258 V259 T260 K266	Q258-K262 WeakPolarHBondContact O-CG 3.22Å; Q258-K262 PolarHBondContact O-N 3.14Å; V259-K262 PolarHBondContact O-N 3.44Å; T260-K262 VanDerWaalsContact C-N 3.32Å; T260-K262 PolarHBondContact O-N 2.88Å; K262-K266 WeakPolarHBondContact O-CB 3.37Å; K262-K266 PolarHBondContact O-N 3.41Å; K262-K266 VanDerWaalsContact O-N 3.11Å
263	R	95.5	Very high	95.1	Very high	68 Å²	68	60.1 Å²	60.1	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-46.4	175.2	-177.6	63.6	61.8	131.2	11.5	111.5	F237 V259 T260 N261 K266 K267	F237-R263 HydrophobicContact CD1-CG 4.45Å; F237-R263 HydrophobicContact CE1-CG 4.34Å; F237-R263 HydrophobicContact CG-CG 4.46Å; F237-R263 HydrophobicContact CZ-CG 4.37Å; V259-R263 PolarHBondContact O-N 3.26Å; T260-R263 WeakPolarHBondContact O-CA 3.44Å; T260-R263 VanDerWaalsContact O-CB 3.28Å; T260-R263 WeakPolarHBondContact O-CB 3.44Å; T260-R263 PolarHBondContact O-N 3.3Å; N261-R263 VanDerWaalsContact C-N 3.27Å; N261-R263 PolarHBondContact O-N 2.92Å; R263-K266 PolarHBondContact O-N 3.16Å; R263-K267 PolarHBondContact O-N 2.89Å
264	I	95.9	Very high	94.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-52.8	177.1	-67.6	168	0	0	0	109.6	R207 L208 T260 N261 K266 K267 E268 L279 I285	R207-I264 HydrophobicContact CB-CD1 4.12Å; R207-I264 HydrophobicContact CG-CD1 3.75Å; R207-I264 HydrophobicContact CG-CG2 4.18Å; L208-I264 HydrophobicContact CD2-CD1 3.65Å; L208-I264 HydrophobicContact CD2-CG1 3.74Å; L208-I264 HydrophobicContact CG-CD1 3.76Å; L208-I264 HydrophobicContact CG-CG1 4.42Å; T260-I264 HydrophobicContact CG2-CD1 4Å; T260-I264 HydrophobicContact CG2-CG1 4.47Å; T260-I264 WeakPolarHBondContact O-CG1 3.42Å; T260-I264 PolarHBondContact O-N 2.98Å; N261-I264 PolarHBondContact O-N 3.37Å; I264-K266 VanDerWaalsContact C-N 3.27Å; I264-K266 PolarHBondContact O-N 3.41Å; I264-K267 PolarHBondContact O-N 3.33Å; I264-E268 HydrophobicContact CG2-CG 4.34Å; I264-E268 WeakPolarHBondContact O-CG 3.24Å; I264-E268 PolarHBondContact O-N 2.72Å; I264-L279 HydrophobicContact CB-CD1 4.32Å; I264-L279 HydrophobicContact CG1-CD1 4.49Å; I264-L279 HydrophobicContact CG2-CD1 3.7Å; I264-I285 HydrophobicContact CD1-CG2 4.46Å; I264-I285 HydrophobicContact CG1-CD1 3.78Å; I264-I285 HydrophobicContact CG1-CG2 4.25Å
265	M	95.2	Very high	94.4	Very high	109 Å²	109	72 Å²	72	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-56.4	-39.9	178.5	-69.2	171.7	71.1	0	0	113.1	R207 N261 K269	R207-M265 VanDerWaalsContact NH2-CG 3.34Å; N261-M265 WeakPolarHBondContact O-CG 3.25Å; N261-M265 PolarHBondContact O-N 3.37Å; M265-K269 PolarHBondContact O-N 2.94Å
266	K	95.4	Very high	94	Very high	123 Å²	123	70.8 Å²	70.8	54%	0.535	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-43.7	176.7	179.6	175.3	170.8	175.9	0	111.2	K262 R263 I264 K269 E270	K262-K266 WeakPolarHBondContact O-CB 3.37Å; K262-K266 PolarHBondContact O-N 3.41Å; K262-K266 VanDerWaalsContact O-N 3.11Å; R263-K266 PolarHBondContact O-N 3.16Å; I264-K266 VanDerWaalsContact C-N 3.27Å; I264-K266 PolarHBondContact O-N 3.41Å; K266-K269 PolarHBondContact O-N 2.92Å; K266-E270 WeakPolarHBondContact CE-OE1 3.16Å; K266-E270 IonicContact NZ-OE1 3.94Å; K266-E270 WeakPolarHBondContact O-CG 3.25Å; K266-E270 PolarHBondContact O-N 3.08Å
267	K	95.3	Very high	93.6	Very high	44 Å²	44	75.3 Å²	75.3	19%	0.191	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-38.8	179.3	-76.9	-73.7	171.3	-158.2	0	112.7	F237 R263 I264 K269 E270 E271 L279	F237-K267 HydrophobicContact CZ-CG 4.48Å; R263-K267 PolarHBondContact O-N 2.89Å; I264-K267 PolarHBondContact O-N 3.33Å; K267-K269 VanDerWaalsContact C-N 3.3Å; K267-K269 PolarHBondContact O-N 2.93Å; K267-E270 WeakPolarHBondContact CD-OE2 3.34Å; K267-E270 WeakPolarHBondContact CE-OE2 3.29Å; K267-E270 IonicContact NZ-OE2 3.82Å; K267-E270 PolarHBondContact NZ-OE2 3.36Å; K267-E270 PolarHBondContact O-N 3.44Å; K267-E270 VanDerWaalsContact O-N 3.16Å; K267-E271 WeakPolarHBondContact O-CB 3.49Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 3.33Å; K267-L279 HydrophobicContact CB-CD1 4.17Å; K267-L279 HydrophobicContact CB-CD2 3.93Å
268	E	94.9	Very high	93.4	Very high	14 Å²	14	76.9 Å²	76.9	7%	0.065	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-44.6	173.3	-71.1	172.5	154.1	0	0	111.6	R207 I264 E270 E271 G272 I273 L279	R207-E268 IonicContact CZ-OE1 2.74Å; R207-E268 IonicContact CZ-OE2 2.83Å; R207-E268 VanDerWaalsContact NH1-CD 3.35Å; R207-E268 IonicContact NH1-OE1 3.94Å; R207-E268 PolarHBondContact NH1-OE1 2.67Å; R207-E268 IonicContact NH1-OE2 3.46Å; R207-E268 PolarHBondContact NH1-OE2 3.33Å; R207-E268 IonicContact NH2-OE1 3.64Å; R207-E268 IonicContact NH2-OE2 3.76Å; R207-E268 PolarHBondContact NH2-OE2 2.68Å; I264-E268 HydrophobicContact CG2-CG 4.34Å; I264-E268 WeakPolarHBondContact O-CG 3.24Å; I264-E268 PolarHBondContact O-N 2.72Å; E268-E270 PolarHBondContact O-N 3.45Å; E268-E271 PolarHBondContact O-N 3.29Å; E268-G272 PolarHBondContact O-N 3.34Å; E268-I273 HydrophobicContact CB-CG1 3.99Å; E268-I273 HydrophobicContact CG-CD1 4.16Å; E268-I273 HydrophobicContact CG-CG1 3.96Å; E268-I273 PolarHBondContact O-N 3.34Å; E268-L279 HydrophobicContact CG-CD1 4.15Å; E268-L279 HydrophobicContact CG-CD2 3.84Å; E268-L279 HydrophobicContact CG-CG 4.12Å
269	K	94.9	Very high	93.3	Very high	185 Å²	185	73 Å²	73	80%	0.804	36%	0.364	S	S	*	.	H	α-helix	trans	-65	-38.1	175.8	-172.1	178.4	179.9	-179.9	0	113	M265 K266 K267	M265-K269 PolarHBondContact O-N 2.94Å; K266-K269 PolarHBondContact O-N 2.92Å; K267-K269 VanDerWaalsContact C-N 3.3Å; K267-K269 PolarHBondContact O-N 2.93Å
270	E	94.9	Very high	93.1	Very high	104 Å²	104	74.4 Å²	74.4	49%	0.486	38%	0.377	S	S	.	.	H	α-helix	trans	-67.8	-38.5	177.2	-74.4	171.5	-174.1	0	0	112.1	K266 K267 E268	K266-E270 WeakPolarHBondContact CE-OE1 3.16Å; K266-E270 IonicContact NZ-OE1 3.94Å; K266-E270 WeakPolarHBondContact O-CG 3.25Å; K266-E270 PolarHBondContact O-N 3.08Å; K267-E270 WeakPolarHBondContact CD-OE2 3.34Å; K267-E270 WeakPolarHBondContact CE-OE2 3.29Å; K267-E270 IonicContact NZ-OE2 3.82Å; K267-E270 PolarHBondContact NZ-OE2 3.36Å; K267-E270 PolarHBondContact O-N 3.44Å; K267-E270 VanDerWaalsContact O-N 3.16Å; E268-E270 PolarHBondContact O-N 3.45Å
271	E	94.5	Very high	93.1	Very high	67 Å²	67	74.8 Å²	74.8	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-85.7	-9.2	-180	-66.2	176.8	-137.6	0	0	112.6	K267 E268 I273 L279 S280 S281	K267-E271 WeakPolarHBondContact O-CB 3.49Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 3.33Å; E268-E271 PolarHBondContact O-N 3.29Å; E271-I273 VanDerWaalsContact C-N 3.29Å; E271-I273 HydrophobicContact CB-CG1 4.28Å; E271-I273 HydrophobicContact CB-CG2 4.22Å; E271-I273 PolarHBondContact O-N 3Å; E271-L279 WeakPolarHBondContact OE1-CD2 3.46Å; E271-S280 PolarHBondContact OE1-OG 3.3Å; E271-S280 WeakPolarHBondContact OE2-CB 3.35Å; E271-S280 PolarHBondContact OE2-N 3.18Å; E271-S280 PolarHBondContact OE2-OG 3.4Å; E271-S281 PolarHBondContact OE1-OG 3Å
272	G	92.7	Very high	93.1	Very high	70 Å²	70	73.8 Å²	73.8	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	26.1	-178.4	0	0	0	0	0	113.6	E268	E268-G272 PolarHBondContact O-N 3.34Å
273	I	91.8	Very high	93.1	Very high	35 Å²	35	67.4 Å²	67.4	18%	0.179	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-101.7	150.6	-178.4	66.5	164.9	0	0	0	111.8	E268 E271 Q277 L279	E268-I273 HydrophobicContact CB-CG1 3.99Å; E268-I273 HydrophobicContact CG-CD1 4.16Å; E268-I273 HydrophobicContact CG-CG1 3.96Å; E268-I273 PolarHBondContact O-N 3.34Å; E271-I273 VanDerWaalsContact C-N 3.29Å; E271-I273 HydrophobicContact CB-CG1 4.28Å; E271-I273 HydrophobicContact CB-CG2 4.22Å; E271-I273 PolarHBondContact O-N 3Å; I273-Q277 HydrophobicContact CB-CB 4.26Å; I273-Q277 VanDerWaalsContact CB-OE1 3.25Å; I273-Q277 HydrophobicContact CD1-CB 4.12Å; I273-L279 HydrophobicContact CD1-CB 4.5Å; I273-L279 HydrophobicContact CD1-CD2 3.34Å; I273-L279 HydrophobicContact CD1-CG 3.78Å; I273-L279 HydrophobicContact CG1-CD2 4.03Å
274	E	89.1	Confident	93.3	Very high	153 Å²	153	65.9 Å²	65.9	72%	0.715	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-86.7	156.2	176.2	-65.9	-173.7	169.8	0	0	112.1	G276 Q277	E274-G276 PolarHBondContact O-N 3.42Å; E274-Q277 WeakPolarHBondContact O-CB 3.16Å; E274-Q277 PolarHBondContact O-N 3.39Å; E274-Q277 VanDerWaalsContact O-N 3.12Å
275	E	86.8	Confident	93.3	Very high	143 Å²	143	66 Å²	66	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	132.9	173.1	-179.2	170	-173.9	0	0	110.1	R207	R207-E275 IonicContact CZ-OE1 3.98Å; R207-E275 IonicContact NE-OE1 3.44Å
276	G	85	Confident	93.4	Very high	13 Å²	13	60.9 Å²	60.9	13%	0.134	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	-3.4	-173.7	0	0	0	0	0	113.8	S209 K212 E274	S209-G276 WeakPolarHBondContact OG-CA 3.38Å; K212-G276 WeakPolarHBondContact CD-O 3.33Å; K212-G276 WeakPolarHBondContact CE-O 3.38Å; K212-G276 PolarHBondContact NZ-O 2.81Å; E274-G276 PolarHBondContact O-N 3.42Å
277	Q	89.1	Confident	93.6	Very high	98 Å²	98	55.2 Å²	55.2	46%	0.458	30%	0.299	S	S	.	.	S	Bend	trans	-96.2	155.4	169.2	-65.1	-175.3	-17.3	0	0	110.8	I273 E274	I273-Q277 HydrophobicContact CB-CB 4.26Å; I273-Q277 VanDerWaalsContact CB-OE1 3.25Å; I273-Q277 HydrophobicContact CD1-CB 4.12Å; E274-Q277 WeakPolarHBondContact O-CB 3.16Å; E274-Q277 PolarHBondContact O-N 3.39Å; E274-Q277 VanDerWaalsContact O-N 3.12Å
278	V	90.4	Very high	93.7	Very high	56 Å²	56	53.1 Å²	53.1	34%	0.339	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-81.8	121.4	179.5	177.9	0	0	0	0	108.6	K212 H213	K212-V278 HydrophobicContact CB-CG2 4.2Å; H213-V278 HydrophobicContact CB-CG2 4.33Å
279	L	92.8	Very high	93.8	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-70.2	142.5	176.7	-82	170.9	0	0	0	112.2	L208 I264 K267 E268 E271 I273 S281 A282 I285	L208-L279 HydrophobicContact CD2-CD1 4.17Å; I264-L279 HydrophobicContact CB-CD1 4.32Å; I264-L279 HydrophobicContact CG1-CD1 4.49Å; I264-L279 HydrophobicContact CG2-CD1 3.7Å; K267-L279 HydrophobicContact CB-CD1 4.17Å; K267-L279 HydrophobicContact CB-CD2 3.93Å; E268-L279 HydrophobicContact CG-CD1 4.15Å; E268-L279 HydrophobicContact CG-CD2 3.84Å; E268-L279 HydrophobicContact CG-CG 4.12Å; E271-L279 WeakPolarHBondContact OE1-CD2 3.46Å; I273-L279 HydrophobicContact CD1-CB 4.5Å; I273-L279 HydrophobicContact CD1-CD2 3.34Å; I273-L279 HydrophobicContact CD1-CG 3.78Å; I273-L279 HydrophobicContact CG1-CD2 4.03Å; L279-S281 PolarHBondContact O-N 2.7Å; L279-A282 HydrophobicContact CB-CB 4.27Å; L279-A282 WeakPolarHBondContact O-CB 3.39Å; L279-A282 PolarHBondContact O-N 2.76Å; L279-A282 VanDerWaalsContact O-N 3.16Å; L279-I285 HydrophobicContact CD1-CD1 4.05Å
280	S	93.5	Very high	93.9	Very high	100 Å²	100	44 Å²	44	70%	0.699	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.2	171.5	63.8	0	0	0	0	112.2	E271 A282	E271-S280 PolarHBondContact OE1-OG 3.3Å; E271-S280 WeakPolarHBondContact OE2-CB 3.35Å; E271-S280 PolarHBondContact OE2-N 3.18Å; E271-S280 PolarHBondContact OE2-OG 3.4Å; S280-A282 VanDerWaalsContact C-N 3.29Å; S280-A282 PolarHBondContact O-N 3.19Å
281	S	95	Very high	94	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	9.1	177.2	55.2	0	0	0	0	114.6	E271 L279 A283 D284 I285	E271-S281 PolarHBondContact OE1-OG 3Å; L279-S281 PolarHBondContact O-N 2.7Å; S281-A283 VanDerWaalsContact C-N 3.29Å; S281-A283 PolarHBondContact O-N 3.02Å; S281-D284 PolarHBondContact O-N 2.88Å; S281-I285 WeakPolarHBondContact O-CG1 3.39Å; S281-I285 PolarHBondContact O-N 3.39Å
282	A	95.9	Very high	94.1	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-37.9	-175.3	0	0	0	0	0	113.2	L208 L228 L279 S280 I285 A286	L208-A282 HydrophobicContact CD2-CB 4.3Å; L228-A282 HydrophobicContact CD2-CB 3.73Å; L279-A282 HydrophobicContact CB-CB 4.27Å; L279-A282 WeakPolarHBondContact O-CB 3.39Å; L279-A282 PolarHBondContact O-N 2.76Å; L279-A282 VanDerWaalsContact O-N 3.16Å; S280-A282 VanDerWaalsContact C-N 3.29Å; S280-A282 PolarHBondContact O-N 3.19Å; A282-I285 PolarHBondContact O-N 2.66Å; A282-A286 WeakPolarHBondContact O-CB 3.12Å; A282-A286 PolarHBondContact O-N 2.69Å
283	A	97.3	Very high	94.4	Very high	17 Å²	17	34 Å²	34	14%	0.14	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-44.2	177.4	0	0	0	0	0	112.8	L228 Q231 S281 I285 A286 A287	L228-A283 HydrophobicContact CD1-CB 4.36Å; L228-A283 HydrophobicContact CG-CB 3.95Å; Q231-A283 HydrophobicContact CB-CB 4.27Å; S281-A283 VanDerWaalsContact C-N 3.29Å; S281-A283 PolarHBondContact O-N 3.02Å; A283-I285 VanDerWaalsContact C-N 3.34Å; A283-I285 PolarHBondContact O-N 2.82Å; A283-A286 PolarHBondContact O-N 2.86Å; A283-A287 WeakPolarHBondContact O-CB 3.23Å; A283-A287 PolarHBondContact O-N 2.86Å
284	D	97.9	Very high	94.6	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.193	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-38.6	176.5	-69.2	-32.4	0	0	0	112	G232 N233 H236 F237 S281 T288	G232-D284 WeakPolarHBondContact CA-OD1 3.38Å; N233-D284 PolarHBondContact N-OD1 3.09Å; H236-D284 HydrophobicContact CB-CB 3.95Å; H236-D284 IonicContact CD2-OD2 2.66Å; H236-D284 IonicContact CE1-OD2 3.93Å; H236-D284 IonicContact CG-OD2 3.73Å; H236-D284 IonicContact ND1-OD2 3.73Å; F237-D284 HydrophobicContact CD2-CB 4.45Å; F237-D284 HydrophobicContact CE2-CB 3.88Å; S281-D284 PolarHBondContact O-N 2.88Å; D284-T288 WeakPolarHBondContact O-CB 3.37Å; D284-T288 PolarHBondContact O-N 3.07Å; D284-T288 PolarHBondContact O-OG1 3.5Å
285	I	97.4	Very high	94.9	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-48.6	174.6	-63.7	176.3	0	0	0	109.9	L208 F237 T260 I264 L279 S281 A282 A283 A287 T288 V289	L208-I285 HydrophobicContact CD1-CB 4.46Å; L208-I285 HydrophobicContact CD1-CG2 4.1Å; L208-I285 HydrophobicContact CD2-CB 4.35Å; L208-I285 HydrophobicContact CD2-CD1 4.02Å; L208-I285 HydrophobicContact CD2-CG2 4.18Å; F237-I285 HydrophobicContact CD2-CG1 4.06Å; F237-I285 HydrophobicContact CE2-CB 4.37Å; F237-I285 HydrophobicContact CE2-CD1 4.4Å; F237-I285 HydrophobicContact CE2-CG1 3.37Å; F237-I285 HydrophobicContact CZ-CG1 4.09Å; T260-I285 HydrophobicContact CG2-CG2 3.75Å; I264-I285 HydrophobicContact CD1-CG2 4.46Å; I264-I285 HydrophobicContact CG1-CD1 3.78Å; I264-I285 HydrophobicContact CG1-CG2 4.25Å; L279-I285 HydrophobicContact CD1-CD1 4.05Å; S281-I285 WeakPolarHBondContact O-CG1 3.39Å; S281-I285 PolarHBondContact O-N 3.39Å; A282-I285 PolarHBondContact O-N 2.66Å; A283-I285 VanDerWaalsContact C-N 3.34Å; A283-I285 PolarHBondContact O-N 2.82Å; I285-A287 PolarHBondContact O-N 2.95Å; I285-T288 PolarHBondContact O-N 3.35Å; I285-V289 HydrophobicContact CG2-CG2 4.27Å; I285-V289 WeakPolarHBondContact O-CB 3.42Å; I285-V289 VanDerWaalsContact O-CG2 3.25Å; I285-V289 WeakPolarHBondContact O-CG2 3.49Å; I285-V289 PolarHBondContact O-N 3.44Å
286	A	97.7	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-47.2	177.9	0	0	0	0	0	111.6	I225 L228 A229 A282 A283 V289 Q290	I225-A286 HydrophobicContact CD1-CB 4.11Å; I225-A286 HydrophobicContact CG2-CB 4.14Å; L228-A286 HydrophobicContact CB-CB 4.26Å; L228-A286 HydrophobicContact CD2-CB 4.36Å; A229-A286 HydrophobicContact CB-CB 4.22Å; A282-A286 WeakPolarHBondContact O-CB 3.12Å; A282-A286 PolarHBondContact O-N 2.69Å; A283-A286 PolarHBondContact O-N 2.86Å; A286-V289 PolarHBondContact O-N 3.24Å; A286-Q290 WeakPolarHBondContact O-CB 3.48Å; A286-Q290 PolarHBondContact O-N 2.63Å
287	A	97.7	Very high	96	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-45.5	177.9	0	0	0	0	0	112.5	A229 R234 A283 I285 H291	A229-A287 HydrophobicContact CB-CB 4.13Å; R234-A287 HydrophobicContact CB-CB 4.26Å; A283-A287 WeakPolarHBondContact O-CB 3.23Å; A283-A287 PolarHBondContact O-N 2.86Å; I285-A287 PolarHBondContact O-N 2.95Å; A287-H291 VanDerWaalsContact O-CB 3.24Å; A287-H291 WeakPolarHBondContact O-CB 3.07Å; A287-H291 PolarHBondContact O-N 2.94Å
288	T	97.7	Very high	96.4	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-45.9	178.7	-57.7	0	0	0	0	111.3	F237 I239 D284 I285 H291 T292	F237-T288 HydrophobicContact CB-CG2 3.98Å; F237-T288 WeakPolarHBondContact O-CG2 3.06Å; I239-T288 HydrophobicContact CB-CG2 4.19Å; I239-T288 HydrophobicContact CD1-CG2 3.74Å; I239-T288 HydrophobicContact CG1-CG2 3.89Å; D284-T288 WeakPolarHBondContact O-CB 3.37Å; D284-T288 PolarHBondContact O-N 3.07Å; D284-T288 PolarHBondContact O-OG1 3.5Å; I285-T288 PolarHBondContact O-N 3.35Å; T288-H291 PolarHBondContact O-N 2.81Å; T288-T292 WeakPolarHBondContact O-CB 3.4Å; T288-T292 PolarHBondContact O-N 2.99Å; T288-T292 PolarHBondContact O-OG1 2.78Å
289	V	97.4	Very high	96.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.9	-46.9	-178.1	171.8	0	0	0	0	111.1	M200 L201 V204 T260 I285 A286 H291 T292 M293	M200-V289 HydrophobicContact CE-CG1 4.38Å; M200-V289 HydrophobicContact SD-CG1 3.81Å; L201-V289 HydrophobicContact CD2-CG1 4.4Å; V204-V289 HydrophobicContact CG1-CG2 4.48Å; V204-V289 HydrophobicContact CG2-CG1 4.48Å; T260-V289 HydrophobicContact CG2-CG2 3.45Å; T260-V289 VanDerWaalsContact CG2-CG2 3.45Å; T260-V289 VanDerWaalsContact OG1-CG2 3.31Å; T260-V289 WeakPolarHBondContact OG1-CG2 3.4Å; I285-V289 HydrophobicContact CG2-CG2 4.27Å; I285-V289 WeakPolarHBondContact O-CB 3.42Å; I285-V289 VanDerWaalsContact O-CG2 3.25Å; I285-V289 WeakPolarHBondContact O-CG2 3.49Å; I285-V289 PolarHBondContact O-N 3.44Å; A286-V289 PolarHBondContact O-N 3.24Å; V289-H291 VanDerWaalsContact C-N 3.33Å; V289-H291 PolarHBondContact O-N 3.25Å; V289-T292 PolarHBondContact O-N 3.46Å; V289-M293 VanDerWaalsContact O-CB 3.3Å; V289-M293 WeakPolarHBondContact O-CB 3.11Å; V289-M293 PolarHBondContact O-N 2.84Å
290	Q	97.6	Very high	96.9	Very high	7 Å²	7	13.8 Å²	13.8	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-45.6	177.3	-174.7	-178.9	40.4	0	0	110.9	I225 A286 M293 A294 N330 Y332	I225-Q290 HydrophobicContact CG2-CB 4.36Å; A286-Q290 WeakPolarHBondContact O-CB 3.48Å; A286-Q290 PolarHBondContact O-N 2.63Å; Q290-M293 PolarHBondContact O-N 2.72Å; Q290-A294 WeakPolarHBondContact O-CB 3Å; Q290-A294 PolarHBondContact O-N 2.9Å; Q290-N330 PolarHBondContact NE2-ND2 2.88Å; Q290-N330 PolarHBondContact NE2-OD1 3.16Å; Q290-Y332 VanDerWaalsContact CD-CB 3.49Å; Q290-Y332 HydrophobicContact CG-CD1 3.89Å; Q290-Y332 HydrophobicContact CG-CG 4.04Å
291	H	97.3	Very high	97.1	Very high	25 Å²	25	9 Å²	9	12%	0.116	5%	0.051	C	C	.	.	H	α-helix	trans	-62.1	-48.6	177.6	-179.2	69.7	0	0	0	112.2	R234 F235 A287 T288 V289 M293 A294 C295 Y332	R234-H291 HydrophobicContact CB-CB 3.89Å; F235-H291 AromaticContact CE1-NE2 3.98Å; A287-H291 VanDerWaalsContact O-CB 3.24Å; A287-H291 WeakPolarHBondContact O-CB 3.07Å; A287-H291 PolarHBondContact O-N 2.94Å; T288-H291 PolarHBondContact O-N 2.81Å; V289-H291 VanDerWaalsContact C-N 3.33Å; V289-H291 PolarHBondContact O-N 3.25Å; H291-M293 VanDerWaalsContact C-N 3.32Å; H291-M293 PolarHBondContact O-N 3.27Å; H291-A294 PolarHBondContact O-N 3.15Å; H291-C295 PolarHBondContact CE1-SG 3.43Å; H291-C295 WeakPolarHBondContact O-CB 3.35Å; H291-C295 PolarHBondContact O-N 2.96Å; H291-C295 PolarHBondContact O-SG 2.67Å; H291-C295 VanDerWaalsContact O-SG 3.34Å; H291-Y332 HydrophobicContact CB-CE1 4.28Å; H291-Y332 AromaticContact ND1-CZ 3.79Å; H291-Y332 PolarHBondContact ND1-OH 3.38Å
292	T	96.9	Very high	97.2	Very high	5 Å²	5	9.1 Å²	9.1	3%	0.031	5%	0.051	C	C	.	.	H	α-helix	trans	-62	-41.6	-179.2	-55.2	0	0	0	0	111.5	I239 P241 L256 T288 V289 H296	I239-T292 HydrophobicContact CG2-CG2 4.14Å; P241-T292 HydrophobicContact CB-CG2 4.44Å; P241-T292 HydrophobicContact CG-CG2 4.23Å; L256-T292 HydrophobicContact CD1-CG2 3.74Å; L256-T292 HydrophobicContact CD2-CG2 4.12Å; T288-T292 WeakPolarHBondContact O-CB 3.4Å; T288-T292 PolarHBondContact O-N 2.99Å; T288-T292 PolarHBondContact O-OG1 2.78Å; V289-T292 PolarHBondContact O-N 3.46Å; T292-H296 PolarHBondContact O-N 3.13Å
293	M	97.2	Very high	97.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.3	-48.4	174.8	-176.2	-165.3	64.6	0	0	111.5	P197 M200 L201 F253 L256 V289 Q290 H291 C295 H296 I297 V327 V333	P197-M293 HydrophobicContact CB-CG 4.24Å; P197-M293 HydrophobicContact CB-SD 3.6Å; M200-M293 HydrophobicContact CE-CB 3.92Å; M200-M293 HydrophobicContact CE-CG 3.67Å; M200-M293 HydrophobicContact CE-SD 3.59Å; M200-M293 VanDerWaalsContact CE-SD 3.59Å; L201-M293 HydrophobicContact CD1-CE 3.94Å; L201-M293 HydrophobicContact CD1-SD 3.86Å; L201-M293 HydrophobicContact CD2-CE 4.32Å; L201-M293 HydrophobicContact CD2-SD 4.03Å; L201-M293 HydrophobicContact CG-CE 4.45Å; L201-M293 HydrophobicContact CG-SD 3.89Å; F253-M293 HydrophobicContact CD1-CG 4.13Å; F253-M293 HydrophobicContact CE1-CG 3.76Å; L256-M293 HydrophobicContact CD2-CB 4.11Å; V289-M293 VanDerWaalsContact O-CB 3.3Å; V289-M293 WeakPolarHBondContact O-CB 3.11Å; V289-M293 PolarHBondContact O-N 2.84Å; Q290-M293 PolarHBondContact O-N 2.72Å; H291-M293 VanDerWaalsContact C-N 3.32Å; H291-M293 PolarHBondContact O-N 3.27Å; M293-C295 PolarHBondContact O-N 3.34Å; M293-H296 WeakPolarHBondContact O-CB 3.35Å; M293-H296 PolarHBondContact O-N 3.46Å; M293-I297 HydrophobicContact CG-CD1 4.01Å; M293-I297 WeakPolarHBondContact O-CG1 3.3Å; M293-I297 PolarHBondContact O-N 3.06Å; M293-V327 HydrophobicContact CE-CG1 4.22Å; M293-V333 HydrophobicContact CE-CG2 3.66Å
294	A	97.1	Very high	97.4	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-61.9	-43.6	179.4	0	0	0	0	0	111.8	Q290 H291 H296 I297 V298 Y332 V333 A336	Q290-A294 WeakPolarHBondContact O-CB 3Å; Q290-A294 PolarHBondContact O-N 2.9Å; H291-A294 PolarHBondContact O-N 3.15Å; A294-H296 VanDerWaalsContact C-N 3.33Å; A294-H296 PolarHBondContact O-N 2.99Å; A294-I297 PolarHBondContact O-N 3.49Å; A294-V298 WeakPolarHBondContact O-CB 3.03Å; A294-V298 WeakPolarHBondContact O-CG2 3.42Å; A294-V298 PolarHBondContact O-N 2.58Å; A294-Y332 HydrophobicContact CB-CD1 3.92Å; A294-Y332 HydrophobicContact CB-CE1 3.93Å; A294-V333 HydrophobicContact CB-CG2 4.43Å; A294-A336 HydrophobicContact CB-CB 4.02Å
295	C	95.8	Very high	97.4	Very high	26 Å²	26	6.7 Å²	6.7	18%	0.176	4%	0.035	C	C	.	.	H	α-helix	trans	-59.6	-42.1	174.7	-75.1	0	0	0	0	112.3	P241 H291 M293 K299	P241-C295 HydrophobicContact CG-CB 4.39Å; H291-C295 PolarHBondContact CE1-SG 3.43Å; H291-C295 WeakPolarHBondContact O-CB 3.35Å; H291-C295 PolarHBondContact O-N 2.96Å; H291-C295 PolarHBondContact O-SG 2.67Å; H291-C295 VanDerWaalsContact O-SG 3.34Å; M293-C295 PolarHBondContact O-N 3.34Å; C295-K299 WeakPolarHBondContact O-CB 3.21Å; C295-K299 PolarHBondContact O-N 3.44Å
296	H	96.6	Very high	97.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.5	-47.6	175.1	-177.2	55.8	0	0	0	111.4	P241 P242 S252 F253 T292 M293 A294 K299 R300	P241-H296 HydrophobicContact CB-CB 4.27Å; P242-H296 PolarHBondContact O-CE1 3.43Å; P242-H296 VanDerWaalsContact O-CE1 3.26Å; P242-H296 PolarHBondContact O-ND1 3.46Å; S252-H296 PolarHBondContact N-NE2 3.05Å; F253-H296 AromaticContact CE1-CD2 3.79Å; T292-H296 PolarHBondContact O-N 3.13Å; M293-H296 WeakPolarHBondContact O-CB 3.35Å; M293-H296 PolarHBondContact O-N 3.46Å; A294-H296 VanDerWaalsContact C-N 3.33Å; A294-H296 PolarHBondContact O-N 2.99Å; H296-K299 PolarHBondContact O-N 3.32Å; H296-R300 PolarHBondContact CE1-NE 2.78Å; H296-R300 WeakPolarHBondContact O-CG 3.37Å; H296-R300 PolarHBondContact O-N 3.42Å
297	I	97.5	Very high	97.4	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-58.7	-52.8	178.6	-70.3	168.7	0	0	0	110.6	L168 F251 F253 M293 A294 K299 R300 T301 L337	L168-I297 HydrophobicContact CD2-CG2 3.63Å; F251-I297 HydrophobicContact CE1-CG1 4.35Å; F253-I297 HydrophobicContact CE1-CG1 4.33Å; F253-I297 HydrophobicContact CZ-CG1 4.16Å; M293-I297 HydrophobicContact CG-CD1 4.01Å; M293-I297 WeakPolarHBondContact O-CG1 3.3Å; M293-I297 PolarHBondContact O-N 3.06Å; A294-I297 PolarHBondContact O-N 3.49Å; I297-K299 VanDerWaalsContact C-N 3.31Å; I297-K299 PolarHBondContact O-N 3.5Å; I297-R300 PolarHBondContact O-N 2.83Å; I297-R300 VanDerWaalsContact O-N 3.12Å; I297-T301 PolarHBondContact O-N 3.43Å; I297-T301 PolarHBondContact O-OG1 2.94Å; I297-L337 HydrophobicContact CG2-CD2 4.3Å
298	V	97.3	Very high	97.4	Very high	6 Å²	6	8.7 Å²	8.7	4%	0.036	5%	0.045	C	C	.	.	H	α-helix	trans	-56.7	-43.5	178.7	164.2	0	0	0	0	111.5	A294 R300 T301 H302 A336 L337 L340 L410 M412	A294-V298 WeakPolarHBondContact O-CB 3.03Å; A294-V298 WeakPolarHBondContact O-CG2 3.42Å; A294-V298 PolarHBondContact O-N 2.58Å; V298-R300 VanDerWaalsContact C-N 3.3Å; V298-R300 PolarHBondContact O-N 2.58Å; V298-T301 PolarHBondContact O-N 2.7Å; V298-H302 VanDerWaalsContact O-CB 3.24Å; V298-H302 WeakPolarHBondContact O-CB 3.42Å; V298-H302 PolarHBondContact O-N 3.43Å; V298-A336 HydrophobicContact CG2-CB 3.77Å; V298-A336 WeakPolarHBondContact CG2-O 3.24Å; V298-L337 HydrophobicContact CG2-CD2 4.28Å; V298-L340 HydrophobicContact CG1-CB 4.1Å; V298-L340 HydrophobicContact CG1-CD2 4.26Å; V298-L410 HydrophobicContact CG1-CD1 4.05Å; V298-M412 HydrophobicContact CG1-SD 4.14Å; V298-M412 HydrophobicContact CG2-CE 3.98Å
299	K	96.4	Very high	97.3	Very high	47 Å²	47	9.8 Å²	9.8	20%	0.204	5%	0.049	C	C	.	.	H	α-helix	trans	-64.5	-32.3	-179.9	-170.5	177.4	-172.3	-179.7	0	112.9	H244 C295 H296 I297 R303	H244-K299 PolarHBondContact CD2-NZ 3.33Å; H244-K299 PolarHBondContact NE2-NZ 3.3Å; H244-K299 VanDerWaalsContact NE2-NZ 3.13Å; H244-K299 PolarHBondContact O-NZ 3.27Å; C295-K299 WeakPolarHBondContact O-CB 3.21Å; C295-K299 PolarHBondContact O-N 3.44Å; H296-K299 PolarHBondContact O-N 3.32Å; I297-K299 VanDerWaalsContact C-N 3.31Å; I297-K299 PolarHBondContact O-N 3.5Å; K299-R303 PolarHBondContact O-NH1 2.86Å
300	R	97.3	Very high	97.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-75.7	-47.4	175	-60.9	-61.3	162.9	-164.2	-4.4	111	L177 L243 A246 N248 C249 D250 F251 H296 I297 V298 H302 R303 A304	L177-R300 HydrophobicContact CD1-CB 4.04Å; L243-R300 VanDerWaalsContact C-NH2 3.34Å; L243-R300 PolarHBondContact O-NH2 3.43Å; A246-R300 PolarHBondContact O-NH1 3.24Å; N248-R300 WeakPolarHBondContact O-CD 3.37Å; N248-R300 PolarHBondContact O-NH1 2.94Å; N248-R300 PolarHBondContact OD1-NH1 2.82Å; C249-R300 PolarHBondContact SG-O 3.2Å; C249-R300 VanDerWaalsContact SG-O 3.4Å; D250-R300 WeakPolarHBondContact O-CD 3.38Å; D250-R300 PolarHBondContact O-NE 3.37Å; F251-R300 HydrophobicContact CD1-CB 4.07Å; F251-R300 HydrophobicContact CD1-CG 3.76Å; F251-R300 HydrophobicContact CE1-CB 3.44Å; F251-R300 VanDerWaalsContact CE1-CB 3.44Å; F251-R300 HydrophobicContact CE1-CG 3.68Å; F251-R300 HydrophobicContact CE2-CB 4.45Å; F251-R300 HydrophobicContact CG-CG 4.42Å; F251-R300 HydrophobicContact CZ-CB 3.68Å; F251-R300 HydrophobicContact CZ-CG 4.26Å; H296-R300 PolarHBondContact CE1-NE 2.78Å; H296-R300 WeakPolarHBondContact O-CG 3.37Å; H296-R300 PolarHBondContact O-N 3.42Å; I297-R300 PolarHBondContact O-N 2.83Å; I297-R300 VanDerWaalsContact O-N 3.12Å; V298-R300 VanDerWaalsContact C-N 3.3Å; V298-R300 PolarHBondContact O-N 2.58Å; R300-H302 VanDerWaalsContact C-N 3.34Å; R300-H302 PolarHBondContact O-N 3.18Å; R300-R303 PolarHBondContact O-N 3.19Å; R300-A304 PolarHBondContact O-N 3.26Å
301	T	98.2	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-41.1	179.1	-51.8	0	0	0	0	112.1	L177 I297 V298 R303 A304 I305 L321 L337 L340	L177-T301 HydrophobicContact CD2-CG2 4.11Å; I297-T301 PolarHBondContact O-N 3.43Å; I297-T301 PolarHBondContact O-OG1 2.94Å; V298-T301 PolarHBondContact O-N 2.7Å; T301-R303 VanDerWaalsContact C-N 3.32Å; T301-R303 PolarHBondContact O-N 3.29Å; T301-A304 WeakPolarHBondContact O-CB 3.27Å; T301-A304 PolarHBondContact O-N 2.98Å; T301-I305 HydrophobicContact CG2-CD1 4.31Å; T301-I305 WeakPolarHBondContact O-CG1 3.48Å; T301-I305 PolarHBondContact O-N 3.38Å; T301-L321 HydrophobicContact CG2-CD1 3.9Å; T301-L321 HydrophobicContact CG2-CD2 3.59Å; T301-L321 HydrophobicContact CG2-CG 4.43Å; T301-L337 HydrophobicContact CG2-CD2 4.39Å; T301-L340 HydrophobicContact CG2-CD2 3.71Å
302	H	97.7	Very high	97.1	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.046	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-44.1	176.4	-167.2	172.2	0	0	0	111.3	V298 R300 A304 I305 L306 L340 V407 L410	V298-H302 VanDerWaalsContact O-CB 3.24Å; V298-H302 WeakPolarHBondContact O-CB 3.42Å; V298-H302 PolarHBondContact O-N 3.43Å; R300-H302 VanDerWaalsContact C-N 3.34Å; R300-H302 PolarHBondContact O-N 3.18Å; H302-A304 VanDerWaalsContact C-N 3.35Å; H302-A304 PolarHBondContact O-N 3.15Å; H302-I305 PolarHBondContact O-N 3.31Å; H302-L306 WeakPolarHBondContact O-CG 3.36Å; H302-L306 PolarHBondContact O-N 3.06Å; H302-L340 HydrophobicContact CB-CD1 3.39Å; H302-L340 HydrophobicContact CB-CD2 4.23Å; H302-L340 HydrophobicContact CB-CG 4.47Å; H302-V407 HydrophobicContact CB-CG1 3.68Å; H302-V407 WeakPolarHBondContact ND1-CG1 3.46Å; H302-L410 VanDerWaalsContact ND1-CD1 3.35Å; H302-L410 WeakPolarHBondContact ND1-CD1 3.41Å
303	R	97.8	Very high	97.1	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-39.4	177.4	-169.8	-178.1	-60.3	81.9	7.7	112.5	K247 N248 K299 R300 T301 I305 L306 F307 I405 V407	K247-R303 WeakPolarHBondContact O-CD 3.49Å; N248-R303 WeakPolarHBondContact O-CD 3.41Å; N248-R303 PolarHBondContact O-NH1 3.42Å; K299-R303 PolarHBondContact O-NH1 2.86Å; R300-R303 PolarHBondContact O-N 3.19Å; T301-R303 VanDerWaalsContact C-N 3.32Å; T301-R303 PolarHBondContact O-N 3.29Å; R303-I305 VanDerWaalsContact C-N 3.33Å; R303-L306 PolarHBondContact O-N 3.33Å; R303-F307 VanDerWaalsContact O-CB 3.29Å; R303-F307 WeakPolarHBondContact O-CB 3.29Å; R303-F307 PolarHBondContact O-N 2.75Å; R303-I405 HydrophobicContact CG-CB 4.12Å; R303-I405 HydrophobicContact CG-CG2 4.32Å; R303-I405 PolarHBondContact NE-O 2.94Å; R303-V407 HydrophobicContact CB-CG2 3.63Å; R303-V407 HydrophobicContact CG-CG2 4.16Å
304	A	98.2	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-44.8	175.2	0	0	0	0	0	111.2	L177 L189 C249 R300 T301 H302 F307 C308	L177-A304 HydrophobicContact CD1-CB 4.09Å; L189-A304 HydrophobicContact CD1-CB 3.81Å; C249-A304 PolarHBondContact SG-N 2.88Å; C249-A304 VanDerWaalsContact SG-N 3.44Å; R300-A304 PolarHBondContact O-N 3.26Å; T301-A304 WeakPolarHBondContact O-CB 3.27Å; T301-A304 PolarHBondContact O-N 2.98Å; H302-A304 VanDerWaalsContact C-N 3.35Å; H302-A304 PolarHBondContact O-N 3.15Å; A304-F307 PolarHBondContact O-N 3Å; A304-C308 WeakPolarHBondContact O-CB 3.24Å; A304-C308 PolarHBondContact O-N 2.77Å; A304-C308 PolarHBondContact O-SG 2.88Å; A304-C308 VanDerWaalsContact O-SG 3.39Å
305	I	98.3	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-50.7	175	-65.9	165	0	0	0	110.8	L166 T301 H302 R303 F307 C308 K309 L340 T344	L166-I305 HydrophobicContact CD1-CB 4.26Å; L166-I305 HydrophobicContact CD1-CG1 3.49Å; L166-I305 VanDerWaalsContact CD1-CG1 3.49Å; T301-I305 HydrophobicContact CG2-CD1 4.31Å; T301-I305 WeakPolarHBondContact O-CG1 3.48Å; T301-I305 PolarHBondContact O-N 3.38Å; H302-I305 PolarHBondContact O-N 3.31Å; R303-I305 VanDerWaalsContact C-N 3.33Å; I305-F307 PolarHBondContact O-N 3.44Å; I305-C308 PolarHBondContact O-N 3.44Å; I305-K309 HydrophobicContact CG2-CD 4.17Å; I305-K309 WeakPolarHBondContact O-CB 3.37Å; I305-K309 WeakPolarHBondContact O-CG 3.47Å; I305-K309 PolarHBondContact O-N 2.86Å; I305-L340 HydrophobicContact CD1-CD1 4.39Å; I305-L340 HydrophobicContact CD1-CD2 4.05Å; I305-L340 HydrophobicContact CD1-CG 4.13Å; I305-T344 HydrophobicContact CD1-CG2 4.45Å; I305-T344 HydrophobicContact CG2-CG2 4.2Å
306	L	97.5	Very high	96.2	Very high	48 Å²	48	34.8 Å²	34.8	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-62.8	-41.5	-180	-66.3	177.8	0	0	0	112.1	H302 R303 K309 Q310 I405	H302-L306 WeakPolarHBondContact O-CG 3.36Å; H302-L306 PolarHBondContact O-N 3.06Å; R303-L306 PolarHBondContact O-N 3.33Å; L306-K309 PolarHBondContact O-N 2.78Å; L306-Q310 VanDerWaalsContact O-CB 3.28Å; L306-Q310 WeakPolarHBondContact O-CB 3.4Å; L306-Q310 PolarHBondContact O-N 2.88Å; L306-I405 HydrophobicContact CB-CG2 3.89Å; L306-I405 HydrophobicContact CD1-CG2 3.92Å
307	F	98.1	Very high	95.8	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-51.2	176.8	175.9	-95.6	0	0	0	111.3	L189 R303 A304 I305 K309 Q310 R311 L313 I396 E399 V400 A403 I405	L189-F307 HydrophobicContact CD2-CD1 4.28Å; L189-F307 HydrophobicContact CD2-CE1 4.27Å; R303-F307 VanDerWaalsContact O-CB 3.29Å; R303-F307 WeakPolarHBondContact O-CB 3.29Å; R303-F307 PolarHBondContact O-N 2.75Å; A304-F307 PolarHBondContact O-N 3Å; I305-F307 PolarHBondContact O-N 3.44Å; F307-K309 PolarHBondContact O-N 2.9Å; F307-Q310 PolarHBondContact O-N 3.01Å; F307-R311 HydrophobicContact CE1-CG 4.37Å; F307-R311 HydrophobicContact CE2-CG 4.18Å; F307-R311 HydrophobicContact CZ-CG 4.1Å; F307-R311 WeakPolarHBondContact O-CG 3.29Å; F307-R311 PolarHBondContact O-N 2.77Å; F307-L313 HydrophobicContact CE1-CD1 4.26Å; F307-I396 HydrophobicContact CE1-CD1 4.1Å; F307-E399 HydrophobicContact CZ-CB 4.36Å; F307-V400 HydrophobicContact CB-CG1 4.47Å; F307-V400 HydrophobicContact CD1-CG2 3.8Å; F307-V400 HydrophobicContact CD2-CB 4.31Å; F307-V400 HydrophobicContact CD2-CG1 4.32Å; F307-V400 HydrophobicContact CD2-CG2 4.16Å; F307-V400 HydrophobicContact CE1-CG2 3.7Å; F307-V400 HydrophobicContact CE2-CB 4.35Å; F307-V400 HydrophobicContact CE2-CG2 4.06Å; F307-V400 HydrophobicContact CG-CB 4.49Å; F307-V400 HydrophobicContact CG-CG1 4.27Å; F307-V400 HydrophobicContact CG-CG2 4.02Å; F307-V400 HydrophobicContact CZ-CG2 3.83Å; F307-A403 HydrophobicContact CD2-CB 3.81Å; F307-A403 HydrophobicContact CE2-CB 3.91Å; F307-I405 HydrophobicContact CB-CD1 3.65Å; F307-I405 HydrophobicContact CD2-CD1 3.97Å; F307-I405 HydrophobicContact CG-CD1 4.31Å
308	C	97.8	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-38.4	-179.1	-70	0	0	0	0	112.1	A304 I305 R311 D312 L313 L314	A304-C308 WeakPolarHBondContact O-CB 3.24Å; A304-C308 PolarHBondContact O-N 2.77Å; A304-C308 PolarHBondContact O-SG 2.88Å; A304-C308 VanDerWaalsContact O-SG 3.39Å; I305-C308 PolarHBondContact O-N 3.44Å; C308-R311 PolarHBondContact O-N 2.96Å; C308-D312 PolarHBondContact O-N 2.88Å; C308-L313 HydrophobicContact CB-CB 4.14Å; C308-L313 PolarHBondContact O-N 2.84Å; C308-L314 HydrophobicContact CB-CB 4.17Å; C308-L314 HydrophobicContact CB-CD1 3.31Å; C308-L314 HydrophobicContact CB-CG 3.65Å
309	K	96.1	Very high	95.2	Very high	24 Å²	24	45.2 Å²	45.2	10%	0.104	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-41.5	173.7	-75.7	-172.9	168.1	-162.4	0	112.6	I305 L306 F307 R311 D312 Q316 T344	I305-K309 HydrophobicContact CG2-CD 4.17Å; I305-K309 WeakPolarHBondContact O-CB 3.37Å; I305-K309 WeakPolarHBondContact O-CG 3.47Å; I305-K309 PolarHBondContact O-N 2.86Å; L306-K309 PolarHBondContact O-N 2.78Å; F307-K309 PolarHBondContact O-N 2.9Å; K309-R311 PolarHBondContact O-N 2.96Å; K309-D312 PolarHBondContact O-N 3.22Å; K309-Q316 VanDerWaalsContact CE-O 3.31Å; K309-Q316 WeakPolarHBondContact CE-O 3.5Å; K309-Q316 PolarHBondContact NZ-O 2.85Å; K309-Q316 PolarHBondContact O-NE2 2.84Å; K309-T344 PolarHBondContact NZ-O 3.48Å
310	Q	96.1	Very high	95.3	Very high	128 Å²	128	44.3 Å²	44.3	60%	0.598	22%	0.222	S	C	*	.	H	α-helix	trans	-66.3	-26.7	178.1	-175.8	179.7	-8.3	0	0	112.7	L306 F307	L306-Q310 VanDerWaalsContact O-CB 3.28Å; L306-Q310 WeakPolarHBondContact O-CB 3.4Å; L306-Q310 PolarHBondContact O-N 2.88Å; F307-Q310 PolarHBondContact O-N 3.01Å
311	R	96.2	Very high	95.4	Very high	127 Å²	127	44.3 Å²	44.3	48%	0.479	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	8.4	178.5	-65	-63.5	-168.8	113.6	4.2	113.5	F307 C308 K309 L313	F307-R311 HydrophobicContact CE1-CG 4.37Å; F307-R311 HydrophobicContact CE2-CG 4.18Å; F307-R311 HydrophobicContact CZ-CG 4.1Å; F307-R311 WeakPolarHBondContact O-CG 3.29Å; F307-R311 PolarHBondContact O-N 2.77Å; C308-R311 PolarHBondContact O-N 2.96Å; K309-R311 PolarHBondContact O-N 2.96Å; R311-L313 HydrophobicContact CB-CD1 3.93Å; R311-L313 HydrophobicContact CB-CG 3.82Å; R311-L313 PolarHBondContact O-N 2.95Å; R311-L313 VanDerWaalsContact O-N 3.1Å
312	D	95.6	Very high	95.4	Very high	129 Å²	129	44.3 Å²	44.3	69%	0.69	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.9	-175.9	-61.2	-55.2	0	0	0	114.1	C308 K309 Q316	C308-D312 PolarHBondContact O-N 2.88Å; K309-D312 PolarHBondContact O-N 3.22Å; D312-Q316 PolarHBondContact OD1-NE2 2.99Å
313	L	95.6	Very high	95.3	Very high	46 Å²	46	43.8 Å²	43.8	24%	0.241	22%	0.22	C	C	.	.	S	Bend	trans	-85	-13.5	176.6	-64.3	176.2	0	0	0	112.7	P164 L179 F307 C308 R311	P164-L313 WeakPolarHBondContact CG-O 3.33Å; L179-L313 HydrophobicContact CD2-CB 3.8Å; L179-L313 HydrophobicContact CD2-CD1 4.29Å; L179-L313 HydrophobicContact CD2-CG 4.45Å; F307-L313 HydrophobicContact CE1-CD1 4.26Å; C308-L313 HydrophobicContact CB-CB 4.14Å; C308-L313 PolarHBondContact O-N 2.84Å; R311-L313 HydrophobicContact CB-CD1 3.93Å; R311-L313 HydrophobicContact CB-CG 3.82Å; R311-L313 PolarHBondContact O-N 2.95Å; R311-L313 VanDerWaalsContact O-N 3.1Å
314	L	94.1	Very high	95.1	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-131.6	152	175.5	-77.3	170.5	0	0	0	110.2	P164 L166 L179 C308 Q316 A319	P164-L314 HydrophobicContact CG-CD2 4.48Å; L166-L314 HydrophobicContact CD1-CD1 3.36Å; L166-L314 HydrophobicContact CD2-CD1 4.21Å; L166-L314 HydrophobicContact CG-CD1 3.47Å; L166-L314 VanDerWaalsContact CG-CD1 3.47Å; L166-L314 HydrophobicContact CG-CD2 4.37Å; L166-L314 HydrophobicContact CG-CG 4.44Å; L179-L314 HydrophobicContact CD1-CD1 4.34Å; L179-L314 HydrophobicContact CD1-CD2 3.53Å; L179-L314 HydrophobicContact CD1-CG 3.76Å; C308-L314 HydrophobicContact CB-CB 4.17Å; C308-L314 HydrophobicContact CB-CD1 3.31Å; C308-L314 HydrophobicContact CB-CG 3.65Å; L314-Q316 PolarHBondContact O-N 2.73Å; L314-A319 HydrophobicContact CB-CB 4.29Å
315	P	90.4	Very high	94.7	Very high	62 Å²	62	43.7 Å²	43.7	40%	0.403	22%	0.221	S	C	.	.			trans	-52.9	137	168.6	-25.2	34.7	0	0	0	111.7	N317 A319	P315-N317 WeakPolarHBondContact CB-O 3.34Å; P315-N317 PolarHBondContact O-N 2.84Å; P315-A319 WeakPolarHBondContact O-CB 3.26Å
316	Q	87.9	Confident	94.3	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	24%	0.239	S	C	.	.	S	Bend	trans	-65	-32	177.8	-63.5	-59.4	-22.1	0	0	111.6	K309 D312 L314	K309-Q316 VanDerWaalsContact CE-O 3.31Å; K309-Q316 WeakPolarHBondContact CE-O 3.5Å; K309-Q316 PolarHBondContact NZ-O 2.85Å; K309-Q316 PolarHBondContact O-NE2 2.84Å; D312-Q316 PolarHBondContact OD1-NE2 2.99Å; L314-Q316 PolarHBondContact O-N 2.73Å
317	N	87.1	Confident	94.1	Very high	97 Å²	97	43.6 Å²	43.6	52%	0.519	23%	0.23	S	C	.	.	S	Bend	trans	-121.5	147.9	176.5	-62.6	-42.3	0	0	0	110.5	P315 A319	P315-N317 WeakPolarHBondContact CB-O 3.34Å; P315-N317 PolarHBondContact O-N 2.84Å; N317-A319 PolarHBondContact O-N 2.94Å
318	N	88.1	Confident	93.8	Very high	128 Å²	128	43.6 Å²	43.6	68%	0.684	23%	0.229	S	C	*	.	S	Bend	trans	58.4	25.9	175.7	-57.7	-16.6	0	0	0	114.4	Q345	N318-Q345 PolarHBondContact N-O 2.7Å
319	A	95.3	Very high	93.5	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	140	171.4	0	0	0	0	0	110.2	L314 P315 N317 C346 T347	L314-A319 HydrophobicContact CB-CB 4.29Å; P315-A319 WeakPolarHBondContact O-CB 3.26Å; N317-A319 PolarHBondContact O-N 2.94Å; A319-C346 CarbonylContact O-C 3.56Å; A319-C346 WeakPolarHBondContact O-CA 3.32Å; A319-C346 VanDerWaalsContact O-CB 3.25Å; A319-C346 WeakPolarHBondContact O-CB 3.19Å; A319-T347 PolarHBondContact O-N 3Å
320	V	98.2	Very high	93.4	Very high	27 Å²	27	44.7 Å²	44.7	16%	0.164	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130	-178.5	177.4	0	0	0	0	110	V161 F165 L166 V322 L349	V161-V320 HydrophobicContact CG1-CB 4.24Å; V161-V320 HydrophobicContact CG1-CG1 3.97Å; V161-V320 HydrophobicContact CG1-CG2 4.36Å; F165-V320 HydrophobicContact CB-CB 3.97Å; F165-V320 HydrophobicContact CB-CG1 4.35Å; L166-V320 PolarHBondContact N-O 3.26Å; V320-V322 HydrophobicContact CG1-CG2 3.86Å; V320-L349 HydrophobicContact CG1-CB 4.36Å; V320-L349 HydrophobicContact CG1-CD1 3.67Å; V320-L349 HydrophobicContact CG1-CG 4Å
321	L	98.5	Very high	93.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.3	163.5	173.2	65.2	0	0	0	108.3	L166 L168 T301 L337 T341 T347 L348 L349	L166-L321 HydrophobicContact CB-CD1 3.81Å; L168-L321 HydrophobicContact CB-CD1 4.39Å; T301-L321 HydrophobicContact CG2-CD1 3.9Å; T301-L321 HydrophobicContact CG2-CD2 3.59Å; T301-L321 HydrophobicContact CG2-CG 4.43Å; L321-L337 HydrophobicContact CD2-CD2 4.4Å; L321-T341 HydrophobicContact CB-CG2 4.01Å; L321-T341 HydrophobicContact CD2-CG2 3.7Å; L321-T341 HydrophobicContact CG-CG2 4.45Å; L321-T347 PolarHBondContact N-O 3.36Å; L321-L348 HydrophobicContact CD2-CD1 4.01Å; L321-L348 HydrophobicContact CG-CD1 4.08Å; L321-L348 CarbonylContact O-C 3.42Å; L321-L348 WeakPolarHBondContact O-CA 3.42Å; L321-L349 PolarHBondContact O-N 3.43Å
322	V	98.3	Very high	93.3	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	-97.7	127.3	174.2	-178.4	0	0	0	0	108.7	I155 F165 L166 V167 L168 V320 L349	I155-V322 HydrophobicContact CB-CG1 3.79Å; I155-V322 HydrophobicContact CB-CG2 4.4Å; I155-V322 HydrophobicContact CG1-CG1 4.2Å; I155-V322 HydrophobicContact CG1-CG2 4.39Å; I155-V322 HydrophobicContact CG2-CB 4.39Å; I155-V322 HydrophobicContact CG2-CG1 3.76Å; I155-V322 HydrophobicContact CG2-CG2 3.73Å; F165-V322 HydrophobicContact CD2-CB 4.25Å; F165-V322 HydrophobicContact CD2-CG2 3.46Å; F165-V322 VanDerWaalsContact CD2-CG2 3.46Å; F165-V322 HydrophobicContact CE2-CB 4.32Å; F165-V322 HydrophobicContact CE2-CG2 3.71Å; F165-V322 HydrophobicContact CG-CG2 4.34Å; L166-V322 PolarHBondContact O-N 2.76Å; V167-V322 CarbonylContact C-O 3.55Å; V167-V322 WeakPolarHBondContact CA-O 3.48Å; V167-V322 HydrophobicContact CB-CB 4.42Å; V167-V322 HydrophobicContact CG2-CB 4.14Å; V167-V322 HydrophobicContact CG2-CG1 4.21Å; L168-V322 PolarHBondContact N-O 3.49Å; V320-V322 HydrophobicContact CG1-CG2 3.86Å; V322-L349 CarbonylContact C-O 3.58Å; V322-L349 VanDerWaalsContact CA-O 3.23Å; V322-L349 WeakPolarHBondContact CA-O 3.33Å
323	A	97.1	Very high	93.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.3	171.6	0	0	0	0	0	110.1	L168 A328 L337 L348 L349 P351	L168-A323 WeakPolarHBondContact O-CA 3.43Å; A323-A328 HydrophobicContact CB-CB 4.17Å; A323-L337 HydrophobicContact CB-CD1 3.8Å; A323-L348 HydrophobicContact CB-CD1 4.03Å; A323-L349 PolarHBondContact N-O 2.9Å; A323-P351 VanDerWaalsContact O-CD 3.23Å; A323-P351 WeakPolarHBondContact O-CD 3.4Å
324	S	93.8	Very high	93.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	164.9	-177.1	-169.5	0	0	0	0	111.5	L168 L169 I170	L168-S324 PolarHBondContact O-N 3.45Å; L169-S324 WeakPolarHBondContact CA-O 3.4Å; I170-S324 PolarHBondContact N-O 3.01Å
325	G	89.8	Confident	93.5	Very high	3 Å²	3	38 Å²	38	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	100.3	162.7	-173.9	0	0	0	0	0	113.6	I170 V327 A328 C356	I170-G325 CarbonylContact O-C 3.54Å; I170-G325 VanDerWaalsContact O-CA 3.31Å; I170-G325 WeakPolarHBondContact O-CA 3.38Å; G325-V327 VanDerWaalsContact C-N 3.29Å; G325-V327 PolarHBondContact O-N 3.09Å; G325-A328 WeakPolarHBondContact O-CA 3.45Å; G325-A328 VanDerWaalsContact O-CB 3.27Å; G325-A328 WeakPolarHBondContact O-CB 3.43Å; G325-A328 PolarHBondContact O-N 2.96Å; G325-C356 VanDerWaalsContact CA-O 3.29Å; G325-C356 WeakPolarHBondContact CA-O 3.22Å
326	G	88.4	Confident	93.9	Very high	37 Å²	37	35.1 Å²	35.1	38%	0.381	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-57.1	-35.3	-175.1	0	0	0	0	0	114.9	I170 A328 S329	I170-G326 PolarHBondContact O-N 2.92Å; G326-A328 VanDerWaalsContact C-N 3.33Å; G326-S329 WeakPolarHBondContact O-CB 3.43Å; G326-S329 PolarHBondContact O-N 3.49Å
327	V	93.5	Very high	94.4	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.055	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-74.8	-27	177.6	-177.2	0	0	0	0	111	I170 P197 G198 M293 G325 S329 N330 V333	I170-V327 HydrophobicContact CB-CB 4.15Å; I170-V327 HydrophobicContact CD1-CB 4.31Å; I170-V327 HydrophobicContact CD1-CG1 4.23Å; I170-V327 HydrophobicContact CG1-CB 4.31Å; I170-V327 WeakPolarHBondContact O-CB 3.47Å; I170-V327 PolarHBondContact O-N 3.21Å; P197-V327 HydrophobicContact CB-CG1 4.34Å; P197-V327 HydrophobicContact CB-CG2 4.44Å; P197-V327 HydrophobicContact CG-CG1 4.39Å; P197-V327 HydrophobicContact CG-CG2 4.2Å; G198-V327 VanDerWaalsContact CA-CG2 3.49Å; M293-V327 HydrophobicContact CE-CG1 4.22Å; G325-V327 VanDerWaalsContact C-N 3.29Å; G325-V327 PolarHBondContact O-N 3.09Å; V327-S329 PolarHBondContact O-N 3.37Å; V327-N330 WeakPolarHBondContact O-CB 3.4Å; V327-N330 PolarHBondContact O-N 3.36Å; V327-V333 HydrophobicContact CG1-CG2 4.45Å
328	A	92.2	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16.4	171.8	0	0	0	0	0	112.1	I170 A323 G325 G326 N330 R334	I170-A328 HydrophobicContact CD1-CB 3.98Å; I170-A328 HydrophobicContact CG1-CB 3.83Å; I170-A328 PolarHBondContact O-N 3.01Å; A323-A328 HydrophobicContact CB-CB 4.17Å; G325-A328 WeakPolarHBondContact O-CA 3.45Å; G325-A328 VanDerWaalsContact O-CB 3.27Å; G325-A328 WeakPolarHBondContact O-CB 3.43Å; G325-A328 PolarHBondContact O-N 2.96Å; G326-A328 VanDerWaalsContact C-N 3.33Å; A328-N330 VanDerWaalsContact C-N 3.29Å; A328-R334 WeakPolarHBondContact O-CD 2.94Å; A328-R334 WeakPolarHBondContact O-CG 3.47Å; A328-R334 PolarHBondContact O-NE 3.4Å; A328-R334 PolarHBondContact O-NH2 2.97Å
329	S	90.5	Very high	95.3	Very high	40 Å²	40	25.1 Å²	25.1	28%	0.28	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-78.2	-9.4	173.2	-62.5	0	0	0	0	114.1	G326 V327 F331	G326-S329 WeakPolarHBondContact O-CB 3.43Å; G326-S329 PolarHBondContact O-N 3.49Å; V327-S329 PolarHBondContact O-N 3.37Å; S329-F331 PolarHBondContact O-N 3.28Å
330	N	94.2	Very high	95.4	Very high	8 Å²	8	25 Å²	25	4%	0.043	13%	0.126	C	C	.	.			trans	-69.7	120.4	174.4	-174.2	-78.2	0	0	0	110.3	E226 Q290 V327 A328 Y332 V333 R334	E226-N330 WeakPolarHBondContact CB-ND2 3.48Å; E226-N330 VanDerWaalsContact CD-ND2 3.27Å; E226-N330 PolarHBondContact OE2-ND2 3.31Å; Q290-N330 PolarHBondContact NE2-ND2 2.88Å; Q290-N330 PolarHBondContact NE2-OD1 3.16Å; V327-N330 WeakPolarHBondContact O-CB 3.4Å; V327-N330 PolarHBondContact O-N 3.36Å; A328-N330 VanDerWaalsContact C-N 3.29Å; N330-Y332 VanDerWaalsContact C-N 3.33Å; N330-Y332 PolarHBondContact O-N 3Å; N330-Y332 VanDerWaalsContact OD1-CB 3.28Å; N330-Y332 WeakPolarHBondContact OD1-CB 3.21Å; N330-Y332 PolarHBondContact OD1-N 3.4Å; N330-Y332 VanDerWaalsContact OD1-N 3.16Å; N330-V333 HydrophobicContact CB-CB 4.09Å; N330-V333 HydrophobicContact CB-CG2 3.99Å; N330-V333 PolarHBondContact O-N 2.99Å; N330-V333 PolarHBondContact OD1-N 2.93Å; N330-R334 WeakPolarHBondContact O-CG 3.42Å; N330-R334 PolarHBondContact O-N 3.33Å
331	F	94.5	Very high	95.4	Very high	116 Å²	116	23.9 Å²	23.9	51%	0.509	12%	0.12	S	C	.	.	H	α-helix	trans	-61.6	-40.1	-177.2	-174.9	-96.5	0	0	0	112.2	E226 S329 V333 R334 R335	E226-F331 WeakPolarHBondContact OE1-CA 3.31Å; E226-F331 VanDerWaalsContact OE1-CB 3.24Å; E226-F331 WeakPolarHBondContact OE1-CB 3.45Å; E226-F331 PolarHBondContact OE1-N 3.46Å; S329-F331 PolarHBondContact O-N 3.28Å; F331-V333 VanDerWaalsContact C-N 3.35Å; F331-V333 PolarHBondContact O-N 3.4Å; F331-R334 PolarHBondContact O-N 2.97Å; F331-R335 HydrophobicContact CD1-CG 3.93Å; F331-R335 HydrophobicContact CE1-CG 3.59Å; F331-R335 HydrophobicContact CE2-CG 4.46Å; F331-R335 VanDerWaalsContact CE2-NE 3.33Å; F331-R335 HydrophobicContact CZ-CG 3.92Å; F331-R335 WeakPolarHBondContact O-CG 3.08Å; F331-R335 PolarHBondContact O-N 3.24Å
332	Y	96.8	Very high	95.2	Very high	29 Å²	29	29.8 Å²	29.8	11%	0.114	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-44.2	177.2	-165.6	-85.6	0	0	0	111.5	R234 Q290 H291 A294 N330 R335 A336 I414	R234-Y332 WeakPolarHBondContact CD-OH 3.42Å; Q290-Y332 VanDerWaalsContact CD-CB 3.49Å; Q290-Y332 HydrophobicContact CG-CD1 3.89Å; Q290-Y332 HydrophobicContact CG-CG 4.04Å; H291-Y332 HydrophobicContact CB-CE1 4.28Å; H291-Y332 AromaticContact ND1-CZ 3.79Å; H291-Y332 PolarHBondContact ND1-OH 3.38Å; A294-Y332 HydrophobicContact CB-CD1 3.92Å; A294-Y332 HydrophobicContact CB-CE1 3.93Å; N330-Y332 VanDerWaalsContact C-N 3.33Å; N330-Y332 PolarHBondContact O-N 3Å; N330-Y332 VanDerWaalsContact OD1-CB 3.28Å; N330-Y332 WeakPolarHBondContact OD1-CB 3.21Å; N330-Y332 PolarHBondContact OD1-N 3.4Å; N330-Y332 VanDerWaalsContact OD1-N 3.16Å; Y332-R335 PolarHBondContact O-N 3.29Å; Y332-A336 WeakPolarHBondContact O-CB 3.46Å; Y332-A336 PolarHBondContact O-N 3.4Å; Y332-I414 HydrophobicContact CD1-CD1 3.93Å; Y332-I414 HydrophobicContact CD2-CB 4.31Å; Y332-I414 HydrophobicContact CD2-CG2 3.56Å; Y332-I414 HydrophobicContact CE1-CD1 3.41Å; Y332-I414 VanDerWaalsContact CE1-CD1 3.41Å; Y332-I414 HydrophobicContact CE2-CB 3.72Å; Y332-I414 HydrophobicContact CE2-CD1 4.06Å; Y332-I414 HydrophobicContact CE2-CG2 3.48Å; Y332-I414 VanDerWaalsContact CE2-CG2 3.48Å; Y332-I414 HydrophobicContact CG-CD1 4.44Å; Y332-I414 HydrophobicContact CG-CG2 4.19Å; Y332-I414 VanDerWaalsContact CZ-CD1 3.47Å
333	V	96.6	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-41.1	175.3	176.1	0	0	0	0	111	I170 M293 A294 V327 N330 F331 A336 L337	I170-V333 HydrophobicContact CD1-CG1 3.87Å; M293-V333 HydrophobicContact CE-CG2 3.66Å; A294-V333 HydrophobicContact CB-CG2 4.43Å; V327-V333 HydrophobicContact CG1-CG2 4.45Å; N330-V333 HydrophobicContact CB-CB 4.09Å; N330-V333 HydrophobicContact CB-CG2 3.99Å; N330-V333 PolarHBondContact O-N 2.99Å; N330-V333 PolarHBondContact OD1-N 2.93Å; F331-V333 VanDerWaalsContact C-N 3.35Å; F331-V333 PolarHBondContact O-N 3.4Å; V333-A336 WeakPolarHBondContact O-CB 3.48Å; V333-A336 PolarHBondContact O-N 3.14Å; V333-L337 HydrophobicContact CG1-CD1 4.13Å; V333-L337 WeakPolarHBondContact O-CG 3.42Å; V333-L337 PolarHBondContact O-N 3.1Å
334	R	95.9	Very high	95	Very high	51 Å²	51	33.1 Å²	33.1	19%	0.192	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-49.8	174.9	-72.4	-178.1	179.8	-155.1	-5.8	111.5	A328 N330 F331 A336 L337 E338	A328-R334 WeakPolarHBondContact O-CD 2.94Å; A328-R334 WeakPolarHBondContact O-CG 3.47Å; A328-R334 PolarHBondContact O-NE 3.4Å; A328-R334 PolarHBondContact O-NH2 2.97Å; N330-R334 WeakPolarHBondContact O-CG 3.42Å; N330-R334 PolarHBondContact O-N 3.33Å; F331-R334 PolarHBondContact O-N 2.97Å; R334-A336 VanDerWaalsContact C-N 3.28Å; R334-A336 PolarHBondContact O-N 3.41Å; R334-L337 CarbonylContact O-C 3.51Å; R334-L337 PolarHBondContact O-N 3.5Å; R334-E338 WeakPolarHBondContact O-CG 3.49Å; R334-E338 PolarHBondContact O-N 3.14Å
335	R	97.1	Very high	95.1	Very high	101 Å²	101	39 Å²	39	38%	0.381	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-38.3	176.8	-66.5	-47.3	177.6	165.4	-3.1	112.5	F331 Y332 L337 E338 I339 I414	F331-R335 HydrophobicContact CD1-CG 3.93Å; F331-R335 HydrophobicContact CE1-CG 3.59Å; F331-R335 HydrophobicContact CE2-CG 4.46Å; F331-R335 VanDerWaalsContact CE2-NE 3.33Å; F331-R335 HydrophobicContact CZ-CG 3.92Å; F331-R335 WeakPolarHBondContact O-CG 3.08Å; F331-R335 PolarHBondContact O-N 3.24Å; Y332-R335 PolarHBondContact O-N 3.29Å; R335-L337 VanDerWaalsContact C-N 3.32Å; R335-L337 PolarHBondContact O-N 3.08Å; R335-E338 WeakPolarHBondContact CD-OE2 3.44Å; R335-E338 IonicContact CZ-OE1 3.53Å; R335-E338 IonicContact CZ-OE2 3.6Å; R335-E338 IonicContact NE-OE1 2.69Å; R335-E338 IonicContact NE-OE2 3.93Å; R335-E338 IonicContact NH1-OE1 2.65Å; R335-E338 IonicContact NH1-OE2 3.1Å; R335-E338 PolarHBondContact NH1-OE2 3.39Å; R335-E338 PolarHBondContact O-N 2.99Å; R335-I339 WeakPolarHBondContact O-CG1 3.01Å; R335-I339 PolarHBondContact O-N 3.22Å; R335-I414 HydrophobicContact CB-CG1 4.41Å; R335-I414 HydrophobicContact CB-CG2 3.85Å; R335-I414 HydrophobicContact CG-CG2 4.5Å
336	A	97.7	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-43.6	173.3	0	0	0	0	0	112.5	A294 V298 Y332 V333 R334 L340 M412 I414	A294-A336 HydrophobicContact CB-CB 4.02Å; V298-A336 HydrophobicContact CG2-CB 3.77Å; V298-A336 WeakPolarHBondContact CG2-O 3.24Å; Y332-A336 WeakPolarHBondContact O-CB 3.46Å; Y332-A336 PolarHBondContact O-N 3.4Å; V333-A336 WeakPolarHBondContact O-CB 3.48Å; V333-A336 PolarHBondContact O-N 3.14Å; R334-A336 VanDerWaalsContact C-N 3.28Å; R334-A336 PolarHBondContact O-N 3.41Å; A336-L340 PolarHBondContact O-N 2.99Å; A336-M412 HydrophobicContact CB-CE 3.34Å; A336-I414 HydrophobicContact CB-CD1 3.69Å
337	L	98	Very high	95.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-71.5	-34	177.3	-67.8	170.9	0	0	0	112.4	L168 I297 V298 T301 L321 A323 V333 R334 R335 L340 T341 L348	L168-L337 HydrophobicContact CD2-CD1 3.89Å; L168-L337 HydrophobicContact CD2-CD2 3.94Å; I297-L337 HydrophobicContact CG2-CD2 4.3Å; V298-L337 HydrophobicContact CG2-CD2 4.28Å; T301-L337 HydrophobicContact CG2-CD2 4.39Å; L321-L337 HydrophobicContact CD2-CD2 4.4Å; A323-L337 HydrophobicContact CB-CD1 3.8Å; V333-L337 HydrophobicContact CG1-CD1 4.13Å; V333-L337 WeakPolarHBondContact O-CG 3.42Å; V333-L337 PolarHBondContact O-N 3.1Å; R334-L337 CarbonylContact O-C 3.51Å; R334-L337 PolarHBondContact O-N 3.5Å; R335-L337 VanDerWaalsContact C-N 3.32Å; R335-L337 PolarHBondContact O-N 3.08Å; L337-L340 HydrophobicContact CD2-CD2 4.42Å; L337-L340 WeakPolarHBondContact O-CB 3.4Å; L337-L340 PolarHBondContact O-N 3.29Å; L337-T341 WeakPolarHBondContact O-CG2 3.41Å; L337-T341 PolarHBondContact O-N 3.28Å; L337-T341 PolarHBondContact O-OG1 3.41Å; L337-L348 HydrophobicContact CB-CD1 4.1Å; L337-L348 HydrophobicContact CB-CD2 3.85Å
338	E	97.5	Very high	96	Very high	59 Å²	59	41.6 Å²	41.6	28%	0.276	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-43.7	174.9	-72.1	171.3	-168.9	0	0	111.9	R334 R335 L340 T341 N342 L348	R334-E338 WeakPolarHBondContact O-CG 3.49Å; R334-E338 PolarHBondContact O-N 3.14Å; R335-E338 WeakPolarHBondContact CD-OE2 3.44Å; R335-E338 IonicContact CZ-OE1 3.53Å; R335-E338 IonicContact CZ-OE2 3.6Å; R335-E338 IonicContact NE-OE1 2.69Å; R335-E338 IonicContact NE-OE2 3.93Å; R335-E338 IonicContact NH1-OE1 2.65Å; R335-E338 IonicContact NH1-OE2 3.1Å; R335-E338 PolarHBondContact NH1-OE2 3.39Å; R335-E338 PolarHBondContact O-N 2.99Å; E338-L340 VanDerWaalsContact C-N 3.25Å; E338-L340 PolarHBondContact O-N 3.18Å; E338-T341 WeakPolarHBondContact CA-OG1 3.42Å; E338-T341 PolarHBondContact O-N 3.34Å; E338-T341 PolarHBondContact O-OG1 3.43Å; E338-T341 VanDerWaalsContact O-OG1 3.08Å; E338-N342 WeakPolarHBondContact O-CB 3.48Å; E338-N342 PolarHBondContact O-N 2.63Å; E338-N342 PolarHBondContact O-ND2 3.04Å; E338-L348 HydrophobicContact CG-CD2 3.58Å
339	I	97.8	Very high	96.3	Very high	44 Å²	44	43.3 Å²	43.3	23%	0.226	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-44.9	173.4	-68.2	167.1	0	0	0	110	R335 A343 M412 I414	R335-I339 WeakPolarHBondContact O-CG1 3.01Å; R335-I339 PolarHBondContact O-N 3.22Å; I339-A343 WeakPolarHBondContact O-CB 3.49Å; I339-A343 PolarHBondContact O-N 2.86Å; I339-A343 VanDerWaalsContact O-N 3.11Å; I339-M412 HydrophobicContact CD1-CE 4.42Å; I339-M412 HydrophobicContact CG2-SD 4.5Å; I339-I414 HydrophobicContact CD1-CG1 3.71Å
340	L	97.6	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-52.9	176.4	169.1	61.2	0	0	0	111.6	V298 T301 H302 I305 A336 L337 E338 N342 A343 T344 L410	V298-L340 HydrophobicContact CG1-CB 4.1Å; V298-L340 HydrophobicContact CG1-CD2 4.26Å; T301-L340 HydrophobicContact CG2-CD2 3.71Å; H302-L340 HydrophobicContact CB-CD1 3.39Å; H302-L340 HydrophobicContact CB-CD2 4.23Å; H302-L340 HydrophobicContact CB-CG 4.47Å; I305-L340 HydrophobicContact CD1-CD1 4.39Å; I305-L340 HydrophobicContact CD1-CD2 4.05Å; I305-L340 HydrophobicContact CD1-CG 4.13Å; A336-L340 PolarHBondContact O-N 2.99Å; L337-L340 HydrophobicContact CD2-CD2 4.42Å; L337-L340 WeakPolarHBondContact O-CB 3.4Å; L337-L340 PolarHBondContact O-N 3.29Å; E338-L340 VanDerWaalsContact C-N 3.25Å; E338-L340 PolarHBondContact O-N 3.18Å; L340-N342 VanDerWaalsContact C-N 3.28Å; L340-N342 PolarHBondContact O-N 3.37Å; L340-A343 PolarHBondContact O-N 3.41Å; L340-A343 VanDerWaalsContact O-N 3.1Å; L340-T344 HydrophobicContact CD1-CG2 3.77Å; L340-T344 PolarHBondContact O-N 2.86Å; L340-T344 PolarHBondContact O-OG1 3.03Å; L340-L410 HydrophobicContact CB-CD1 4.32Å; L340-L410 HydrophobicContact CD1-CD1 3.63Å
341	T	97	Very high	96.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-35.5	-175.2	53	0	0	0	0	112	L321 L337 E338 T344 Q345 C346 L348	L321-T341 HydrophobicContact CB-CG2 4.01Å; L321-T341 HydrophobicContact CD2-CG2 3.7Å; L321-T341 HydrophobicContact CG-CG2 4.45Å; L337-T341 WeakPolarHBondContact O-CG2 3.41Å; L337-T341 PolarHBondContact O-N 3.28Å; L337-T341 PolarHBondContact O-OG1 3.41Å; E338-T341 WeakPolarHBondContact CA-OG1 3.42Å; E338-T341 PolarHBondContact O-N 3.34Å; E338-T341 PolarHBondContact O-OG1 3.43Å; E338-T341 VanDerWaalsContact O-OG1 3.08Å; T341-T344 CarbonylContact O-C 3.16Å; T341-T344 PolarHBondContact O-N 2.69Å; T341-Q345 PolarHBondContact O-N 3.38Å; T341-C346 CarbonylContact C-O 3.57Å; T341-C346 WeakPolarHBondContact CB-O 3.29Å; T341-C346 HydrophobicContact CG2-CB 3.96Å; T341-C346 PolarHBondContact O-N 3.03Å; T341-L348 HydrophobicContact CG2-CB 3.89Å; T341-L348 HydrophobicContact CG2-CD1 4.42Å
342	N	95.8	Very high	96.4	Very high	125 Å²	125	39.8 Å²	39.8	67%	0.668	21%	0.21	S	C	*	.	H	α-helix	trans	-62	-44.5	172.6	-70.3	-16.6	0	0	0	111.4	E338 L340 T344 Q345	E338-N342 WeakPolarHBondContact O-CB 3.48Å; E338-N342 PolarHBondContact O-N 2.63Å; E338-N342 PolarHBondContact O-ND2 3.04Å; L340-N342 VanDerWaalsContact C-N 3.28Å; L340-N342 PolarHBondContact O-N 3.37Å; N342-T344 VanDerWaalsContact C-N 3.27Å; N342-T344 PolarHBondContact O-N 3.24Å; N342-Q345 PolarHBondContact O-N 3.39Å
343	A	95.7	Very high	95.9	Very high	59 Å²	59	42 Å²	42	49%	0.488	23%	0.228	S	C	.	.	H	α-helix	trans	-67.7	-25.8	178.5	0	0	0	0	0	113.4	I339 L340 L410	I339-A343 WeakPolarHBondContact O-CB 3.49Å; I339-A343 PolarHBondContact O-N 2.86Å; I339-A343 VanDerWaalsContact O-N 3.11Å; L340-A343 PolarHBondContact O-N 3.41Å; L340-A343 VanDerWaalsContact O-N 3.1Å; A343-L410 HydrophobicContact CB-CD2 3.49Å; A343-L410 VanDerWaalsContact CB-CD2 3.49Å
344	T	95.6	Very high	95.6	Very high	10 Å²	10	48.5 Å²	48.5	6%	0.061	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9.4	-178.5	63.5	0	0	0	0	114.1	I305 K309 L340 T341 N342 C346	I305-T344 HydrophobicContact CD1-CG2 4.45Å; I305-T344 HydrophobicContact CG2-CG2 4.2Å; K309-T344 PolarHBondContact NZ-O 3.48Å; L340-T344 HydrophobicContact CD1-CG2 3.77Å; L340-T344 PolarHBondContact O-N 2.86Å; L340-T344 PolarHBondContact O-OG1 3.03Å; T341-T344 CarbonylContact O-C 3.16Å; T341-T344 PolarHBondContact O-N 2.69Å; N342-T344 VanDerWaalsContact C-N 3.27Å; N342-T344 PolarHBondContact O-N 3.24Å; T344-C346 PolarHBondContact O-N 3.05Å; T344-C346 PolarHBondContact OG1-SG 2.77Å; T344-C346 VanDerWaalsContact OG1-SG 3.35Å
345	Q	94.7	Very high	95.4	Very high	123 Å²	123	46.5 Å²	46.5	58%	0.575	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	40.4	-176.1	-56.1	176	-66.1	0	0	112.8	N318 T341 N342	N318-Q345 PolarHBondContact N-O 2.7Å; T341-Q345 PolarHBondContact O-N 3.38Å; N342-Q345 PolarHBondContact O-N 3.39Å
346	C	96.4	Very high	95.1	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	159.5	173.8	-66.6	0	0	0	0	110.2	A319 T341 T344	A319-C346 CarbonylContact O-C 3.56Å; A319-C346 WeakPolarHBondContact O-CA 3.32Å; A319-C346 VanDerWaalsContact O-CB 3.25Å; A319-C346 WeakPolarHBondContact O-CB 3.19Å; T341-C346 CarbonylContact C-O 3.57Å; T341-C346 WeakPolarHBondContact CB-O 3.29Å; T341-C346 HydrophobicContact CG2-CB 3.96Å; T341-C346 PolarHBondContact O-N 3.03Å; T344-C346 PolarHBondContact O-N 3.05Å; T344-C346 PolarHBondContact OG1-SG 2.77Å; T344-C346 VanDerWaalsContact OG1-SG 3.35Å
347	T	97.2	Very high	94.6	Very high	64 Å²	64	45.2 Å²	45.2	39%	0.393	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.8	170.4	-57.5	0	0	0	0	108.9	A319 L321 L349	A319-T347 PolarHBondContact O-N 3Å; L321-T347 PolarHBondContact N-O 3.36Å; T347-L349 HydrophobicContact CG2-CD2 4.06Å; T347-L349 HydrophobicContact CG2-CG 4.24Å
348	L	97.7	Very high	94.4	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.157	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.5	170.2	-176.3	66.6	0	0	0	109.8	L321 A323 L337 E338 T341	L321-L348 HydrophobicContact CD2-CD1 4.01Å; L321-L348 HydrophobicContact CG-CD1 4.08Å; L321-L348 CarbonylContact O-C 3.42Å; L321-L348 WeakPolarHBondContact O-CA 3.42Å; A323-L348 HydrophobicContact CB-CD1 4.03Å; L337-L348 HydrophobicContact CB-CD1 4.1Å; L337-L348 HydrophobicContact CB-CD2 3.85Å; E338-L348 HydrophobicContact CG-CD2 3.58Å; T341-L348 HydrophobicContact CG2-CB 3.89Å; T341-L348 HydrophobicContact CG2-CD1 4.42Å
349	L	97.4	Very high	94.3	Very high	36 Å²	36	44 Å²	44	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.8	169.5	-63.5	-177.9	0	0	0	109.9	I155 N159 V161 V320 L321 V322 A323 T347	I155-L349 HydrophobicContact CD1-CB 3.95Å; I155-L349 HydrophobicContact CG1-CB 3.94Å; I155-L349 HydrophobicContact CG1-CD1 4.35Å; N159-L349 HydrophobicContact CB-CD1 4.34Å; V161-L349 HydrophobicContact CG2-CD1 3.52Å; V320-L349 HydrophobicContact CG1-CB 4.36Å; V320-L349 HydrophobicContact CG1-CD1 3.67Å; V320-L349 HydrophobicContact CG1-CG 4Å; L321-L349 PolarHBondContact O-N 3.43Å; V322-L349 CarbonylContact C-O 3.58Å; V322-L349 VanDerWaalsContact CA-O 3.23Å; V322-L349 WeakPolarHBondContact CA-O 3.33Å; A323-L349 PolarHBondContact N-O 2.9Å; T347-L349 HydrophobicContact CG2-CD2 4.06Å; T347-L349 HydrophobicContact CG2-CG 4.24Å
350	C	95.6	Very high	94.3	Very high	33 Å²	33	42.1 Å²	42.1	22%	0.223	24%	0.235	C	C	.	.			trans	-125.1	129.1	176.7	-61.7	0	0	0	0	108.2
351	P	93.6	Very high	94.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	24%	0.236	C	C	.	.			trans	-57.4	153.8	170.7	-22.2	33.4	0	0	0	110.7	T154 I155 A323 L355 C356	T154-P351 HydrophobicContact CG2-CB 4.17Å; T154-P351 HydrophobicContact CG2-CG 4.39Å; I155-P351 HydrophobicContact CB-CG 4.19Å; I155-P351 HydrophobicContact CD1-CG 4.06Å; A323-P351 VanDerWaalsContact O-CD 3.23Å; A323-P351 WeakPolarHBondContact O-CD 3.4Å; P351-L355 HydrophobicContact CB-CB 4.32Å; P351-C356 PolarHBondContact O-SG 3.27Å
352	P	91.9	Very high	94.4	Very high	56 Å²	56	42 Å²	42	36%	0.364	24%	0.235	S	C	.	.			trans	-50.6	140.1	168.3	-25.7	33.2	0	0	0	110.4	T158 R354 L355 C356	T158-P352 HydrophobicContact CG2-CG 4.07Å; P352-R354 PolarHBondContact O-N 3.47Å; P352-L355 HydrophobicContact CG-CD1 4.31Å; P352-L355 PolarHBondContact O-N 2.82Å; P352-C356 PolarHBondContact O-N 2.84Å
353	P	88.1	Confident	94.6	Very high	75 Å²	75	36.1 Å²	36.1	49%	0.487	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-51.4	-34.6	-175.3	-30.7	36	0	0	0	114.8	L355 C356	P353-L355 PolarHBondContact O-N 3.4Å; P353-C356 WeakPolarHBondContact O-CB 3.4Å; P353-C356 PolarHBondContact O-N 3.34Å; P353-C356 VanDerWaalsContact O-N 3.14Å
354	R	89.4	Confident	94.7	Very high	136 Å²	136	33.3 Å²	33.3	51%	0.513	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-60.4	-26.9	176.5	-167.1	-178.7	88.4	96.9	-6.6	113.8	E63 P352	E63-R354 IonicContact OE1-CZ 3.52Å; E63-R354 IonicContact OE1-NH1 2.72Å; E63-R354 PolarHBondContact OE1-NH1 2.98Å; E63-R354 IonicContact OE1-NH2 3.43Å; E63-R354 PolarHBondContact OE1-NH2 3.21Å; E63-R354 IonicContact OE2-CZ 3.85Å; E63-R354 IonicContact OE2-NH1 2.83Å; E63-R354 PolarHBondContact OE2-NH1 2.87Å; E63-R354 IonicContact OE2-NH2 2.74Å; E63-R354 PolarHBondContact OE2-NH2 3.31Å; P352-R354 PolarHBondContact O-N 3.47Å
355	L	92.6	Very high	94.8	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-97.8	-4.3	-180	-59.4	-177.4	0	0	0	113	T154 L157 T158 P351 P352 P353 N359 I361	T154-L355 HydrophobicContact CG2-CB 3.69Å; T154-L355 HydrophobicContact CG2-CD1 4.25Å; L157-L355 HydrophobicContact CD2-CD1 3.89Å; T158-L355 HydrophobicContact CG2-CD1 3.88Å; P351-L355 HydrophobicContact CB-CB 4.32Å; P352-L355 HydrophobicContact CG-CD1 4.31Å; P352-L355 PolarHBondContact O-N 2.82Å; P353-L355 PolarHBondContact O-N 3.4Å; L355-N359 PolarHBondContact O-ND2 2.81Å; L355-I361 HydrophobicContact CD2-CB 4.29Å; L355-I361 HydrophobicContact CD2-CD1 3.76Å; L355-I361 HydrophobicContact CD2-CG2 4.17Å
356	C	89.6	Confident	95	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.151	C	C	.	.	S	Bend	trans	-85.2	-17.1	178.7	-67.5	0	0	0	0	113.6	G325 P351 P352 P353	G325-C356 VanDerWaalsContact CA-O 3.29Å; G325-C356 WeakPolarHBondContact CA-O 3.22Å; P351-C356 PolarHBondContact O-SG 3.27Å; P352-C356 PolarHBondContact O-N 2.84Å; P353-C356 WeakPolarHBondContact O-CB 3.4Å; P353-C356 PolarHBondContact O-N 3.34Å; P353-C356 VanDerWaalsContact O-N 3.14Å
357	T	88.4	Confident	95.1	Very high	71 Å²	71	26.9 Å²	26.9	44%	0.436	15%	0.148	S	C	.	.	S	Bend	trans	-93.8	167.9	173.7	54	0	0	0	0	110.4	N359	T357-N359 PolarHBondContact O-N 3.45Å; T357-N359 PolarHBondContact O-ND2 2.95Å
358	D	92.7	Very high	95.2	Very high	27 Å²	27	23.8 Å²	23.8	14%	0.144	13%	0.129	C	C	.	.	S	Bend	trans	-65	127.9	-178	-64.5	-6.1	0	0	0	110.6	E43 D48 H147 H151 M362	E43-D358 HydrophobicContact CG-CB 4.22Å; D48-D358 HydrophobicContact CB-CB 4.32Å; H147-D358 IonicContact CE1-OD1 3.5Å; H147-D358 PolarHBondContact CE1-OD1 3.16Å; H147-D358 IonicContact CE1-OD2 2.69Å; H147-D358 PolarHBondContact CE1-OD2 3.48Å; H147-D358 IonicContact NE2-OD1 2.78Å; H147-D358 PolarHBondContact NE2-OD1 3.02Å; H147-D358 IonicContact NE2-OD2 3.84Å; H151-D358 IonicContact CE1-OD1 3.56Å; H151-D358 PolarHBondContact CE1-OD1 2.95Å; H151-D358 IonicContact NE2-OD1 3.4Å; H151-D358 PolarHBondContact NE2-OD1 3.44Å; D358-M362 HydrophobicContact CB-CE 4.3Å
359	N	96.1	Very high	95.2	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	12%	0.123	C	C	.	.			trans	-154.7	161	-175.4	64.9	75.5	0	0	0	111.8	L355 T357 I361 M362	L355-N359 PolarHBondContact O-ND2 2.81Å; T357-N359 PolarHBondContact O-N 3.45Å; T357-N359 PolarHBondContact O-ND2 2.95Å; N359-I361 VanDerWaalsContact C-N 3.29Å; N359-I361 PolarHBondContact O-N 3Å; N359-I361 WeakPolarHBondContact OD1-CA 3.42Å; N359-I361 VanDerWaalsContact OD1-CB 3.23Å; N359-I361 WeakPolarHBondContact OD1-CB 3.42Å; N359-I361 PolarHBondContact OD1-N 3.22Å; N359-M362 WeakPolarHBondContact O-CG 3.32Å; N359-M362 PolarHBondContact OD1-N 3.2Å
360	G	98.1	Very high	95.2	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-71.9	-22.7	177.5	0	0	0	0	0	113.6	A50 A52 I363 A364	A50-G360 VanDerWaalsContact CB-N 3.34Å; A52-G360 VanDerWaalsContact CB-C 3.42Å; G360-I363 PolarHBondContact O-N 3.11Å; G360-A364 WeakPolarHBondContact O-CB 3.29Å; G360-A364 PolarHBondContact O-N 3.38Å
361	I	98.5	Very high	95.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-47.6	-176.9	-62.1	165.1	0	0	0	110.2	A52 V54 V60 E63 L157 L355 N359 I363 A364 W365	A52-I361 HydrophobicContact CB-CB 4.32Å; A52-I361 HydrophobicContact CB-CG1 3.64Å; V54-I361 HydrophobicContact CG2-CB 4.49Å; V54-I361 HydrophobicContact CG2-CG2 4.04Å; V60-I361 HydrophobicContact CB-CD1 4.49Å; V60-I361 HydrophobicContact CG1-CD1 3.99Å; V60-I361 HydrophobicContact CG1-CG1 4Å; V60-I361 HydrophobicContact CG2-CD1 3.7Å; V60-I361 HydrophobicContact CG2-CG1 3.92Å; V60-I361 HydrophobicContact CG2-CG2 3.92Å; E63-I361 WeakPolarHBondContact OE2-CD1 3.44Å; L157-I361 HydrophobicContact CD2-CG2 3.47Å; L157-I361 VanDerWaalsContact CD2-CG2 3.47Å; L355-I361 HydrophobicContact CD2-CB 4.29Å; L355-I361 HydrophobicContact CD2-CD1 3.76Å; L355-I361 HydrophobicContact CD2-CG2 4.17Å; N359-I361 VanDerWaalsContact C-N 3.29Å; N359-I361 PolarHBondContact O-N 3Å; N359-I361 WeakPolarHBondContact OD1-CA 3.42Å; N359-I361 VanDerWaalsContact OD1-CB 3.23Å; N359-I361 WeakPolarHBondContact OD1-CB 3.42Å; N359-I361 PolarHBondContact OD1-N 3.22Å; I361-I363 PolarHBondContact O-N 3.37Å; I361-A364 PolarHBondContact O-N 3.04Å; I361-W365 VanDerWaalsContact O-CB 3.29Å; I361-W365 WeakPolarHBondContact O-CB 3.33Å; I361-W365 PolarHBondContact O-N 3.33Å
362	M	97.7	Very high	95.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-33.9	179.6	63.9	175.5	-168.7	0	0	112	E43 A150 H151 T154 D358 N359 N366	E43-M362 HydrophobicContact CG-CE 4.05Å; E43-M362 WeakPolarHBondContact OE2-CE 3.22Å; A150-M362 HydrophobicContact CB-CB 4.17Å; A150-M362 HydrophobicContact CB-CG 4.12Å; A150-M362 HydrophobicContact CB-SD 4.37Å; H151-M362 VanDerWaalsContact CE1-SD 3.5Å; T154-M362 VanDerWaalsContact OG1-CB 3.25Å; T154-M362 WeakPolarHBondContact OG1-CB 3.07Å; D358-M362 HydrophobicContact CB-CE 4.3Å; N359-M362 WeakPolarHBondContact O-CG 3.32Å; N359-M362 PolarHBondContact OD1-N 3.2Å; M362-N366 WeakPolarHBondContact O-CB 3.22Å; M362-N366 PolarHBondContact O-N 3.38Å
363	I	98.8	Very high	95.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.9	-45.2	178.4	-56	-46.7	0	0	0	110.6	E43 A113 T115 I145 A150 G360 I361 W365 N366 G367	E43-I363 HydrophobicContact CB-CG1 3.8Å; E43-I363 HydrophobicContact CG-CG1 4.4Å; E43-I363 WeakPolarHBondContact OE2-CD1 3.44Å; A113-I363 HydrophobicContact CB-CG2 4.16Å; T115-I363 WeakPolarHBondContact OG1-CD1 3.2Å; T115-I363 WeakPolarHBondContact OG1-CG1 3.38Å; I145-I363 HydrophobicContact CB-CG2 4.14Å; I145-I363 HydrophobicContact CG1-CG2 3.83Å; I145-I363 HydrophobicContact CG2-CD1 3.79Å; I145-I363 HydrophobicContact CG2-CG2 4.3Å; A150-I363 HydrophobicContact CB-CD1 3.54Å; G360-I363 PolarHBondContact O-N 3.11Å; I361-I363 PolarHBondContact O-N 3.37Å; I363-W365 VanDerWaalsContact C-N 3.33Å; I363-W365 PolarHBondContact O-N 3.08Å; I363-N366 PolarHBondContact O-N 2.96Å; I363-G367 PolarHBondContact O-N 2.99Å
364	A	98.8	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-44.1	175.5	0	0	0	0	0	111.1	V39 V54 G360 I361 G367 I368	V39-A364 HydrophobicContact CG1-CB 4.34Å; V54-A364 HydrophobicContact CB-CB 3.76Å; V54-A364 HydrophobicContact CG2-CB 3.57Å; G360-A364 WeakPolarHBondContact O-CB 3.29Å; G360-A364 PolarHBondContact O-N 3.38Å; I361-A364 PolarHBondContact O-N 3.04Å; A364-G367 CarbonylContact O-C 3.59Å; A364-G367 WeakPolarHBondContact O-CA 3.44Å; A364-G367 PolarHBondContact O-N 3.11Å; A364-G367 VanDerWaalsContact O-N 3.15Å; A364-I368 PolarHBondContact O-N 3.15Å
365	W	98.5	Very high	96	Very high	8 Å²	8	22.4 Å²	22.4	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-44.2	178.2	-177.5	-114.1	0	0	0	112.6	V54 L153 R156 L157 I361 I363 G367 I368 E369 R372	V54-W365 HydrophobicContact CG1-CE3 4.19Å; L153-W365 PolarHBondContact O-NE1 3.36Å; R156-W365 HydrophobicContact CB-CZ2 4.27Å; R156-W365 VanDerWaalsContact O-CZ2 3.23Å; R156-W365 WeakPolarHBondContact O-CZ2 3.27Å; L157-W365 HydrophobicContact CB-CD2 3.97Å; L157-W365 HydrophobicContact CB-CG 4.03Å; L157-W365 HydrophobicContact CB-CZ2 4.44Å; L157-W365 HydrophobicContact CD1-CB 4.27Å; L157-W365 HydrophobicContact CD1-CD2 3.46Å; L157-W365 VanDerWaalsContact CD1-CD2 3.46Å; L157-W365 HydrophobicContact CD1-CE3 3.29Å; L157-W365 HydrophobicContact CD1-CG 3.89Å; L157-W365 HydrophobicContact CD1-CH2 4.32Å; L157-W365 HydrophobicContact CD1-CZ3 3.75Å; L157-W365 HydrophobicContact CG-CD2 4.33Å; L157-W365 HydrophobicContact CG-CG 4.5Å; I361-W365 VanDerWaalsContact O-CB 3.29Å; I361-W365 WeakPolarHBondContact O-CB 3.33Å; I361-W365 PolarHBondContact O-N 3.33Å; I363-W365 VanDerWaalsContact C-N 3.33Å; I363-W365 PolarHBondContact O-N 3.08Å; W365-G367 PolarHBondContact O-N 3.07Å; W365-I368 HydrophobicContact CE3-CB 4.18Å; W365-I368 HydrophobicContact CE3-CG2 4.07Å; W365-I368 HydrophobicContact CZ3-CG2 3.93Å; W365-I368 WeakPolarHBondContact O-CB 3.36Å; W365-I368 PolarHBondContact O-N 3.4Å; W365-I368 VanDerWaalsContact O-N 3.08Å; W365-E369 HydrophobicContact CD2-CG 4.49Å; W365-E369 HydrophobicContact CZ2-CG 4.34Å; W365-E369 WeakPolarHBondContact O-CG 3.5Å; W365-E369 PolarHBondContact O-N 2.93Å; W365-R372 VanDerWaalsContact CH2-NH1 3.26Å
366	N	98.4	Very high	96	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-34.4	173.4	-172.3	-121.8	0	0	0	111.7	I145 A150 L153 M362 I363 E369 R370	I145-N366 HydrophobicContact CD1-CB 4.11Å; I145-N366 VanDerWaalsContact CD1-OD1 3.25Å; I145-N366 WeakPolarHBondContact CD1-OD1 3.32Å; I145-N366 HydrophobicContact CG2-CB 4.2Å; I145-N366 WeakPolarHBondContact CG2-OD1 3.33Å; A150-N366 HydrophobicContact CB-CB 4.03Å; L153-N366 WeakPolarHBondContact CD1-ND2 3.4Å; M362-N366 WeakPolarHBondContact O-CB 3.22Å; M362-N366 PolarHBondContact O-N 3.38Å; I363-N366 PolarHBondContact O-N 2.96Å; N366-E369 PolarHBondContact O-N 3.3Å; N366-R370 WeakPolarHBondContact O-CB 3.39Å; N366-R370 WeakPolarHBondContact O-CG 3.5Å; N366-R370 PolarHBondContact O-N 3.19Å; N366-R370 PolarHBondContact OD1-NE 2.72Å
367	G	98.5	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-43.8	169.8	0	0	0	0	0	113.3	I363 A364 W365 R370 L371	I363-G367 PolarHBondContact O-N 2.99Å; A364-G367 CarbonylContact O-C 3.59Å; A364-G367 WeakPolarHBondContact O-CA 3.44Å; A364-G367 PolarHBondContact O-N 3.11Å; A364-G367 VanDerWaalsContact O-N 3.15Å; W365-G367 PolarHBondContact O-N 3.07Å; G367-R370 PolarHBondContact O-N 2.73Å; G367-L371 WeakPolarHBondContact O-CG 3.43Å; G367-L371 PolarHBondContact O-N 2.87Å
368	I	98.3	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-48	173.8	-71.5	-69.4	0	0	0	111.1	K37 V39 E56 A364 W365 R370 L371 R372	K37-I368 HydrophobicContact CB-CD1 4.05Å; K37-I368 WeakPolarHBondContact O-CD1 3.33Å; V39-I368 HydrophobicContact CB-CD1 4.07Å; V39-I368 HydrophobicContact CB-CG1 4.08Å; V39-I368 HydrophobicContact CG2-CD1 3.53Å; V39-I368 HydrophobicContact CG2-CG1 3.87Å; E56-I368 HydrophobicContact CB-CD1 4.34Å; E56-I368 HydrophobicContact CB-CG2 4.23Å; A364-I368 PolarHBondContact O-N 3.15Å; W365-I368 HydrophobicContact CE3-CB 4.18Å; W365-I368 HydrophobicContact CE3-CG2 4.07Å; W365-I368 HydrophobicContact CZ3-CG2 3.93Å; W365-I368 WeakPolarHBondContact O-CB 3.36Å; W365-I368 PolarHBondContact O-N 3.4Å; W365-I368 VanDerWaalsContact O-N 3.08Å; I368-R370 VanDerWaalsContact C-N 3.29Å; I368-R370 PolarHBondContact O-N 3.29Å; I368-L371 WeakPolarHBondContact O-CB 3.47Å; I368-L371 PolarHBondContact O-N 3.37Å; I368-L371 VanDerWaalsContact O-N 3.16Å; I368-R372 WeakPolarHBondContact O-CG 3.44Å; I368-R372 PolarHBondContact O-N 2.86Å
369	E	97.8	Very high	96.7	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-39.7	178.9	-68.6	-70	93.7	0	0	111.2	R156 V183 W365 N366 R372 A373	R156-E369 IonicContact CZ-OE2 3.86Å; R156-E369 IonicContact NE-OE2 3Å; R156-E369 PolarHBondContact NE-OE2 3.38Å; R156-E369 IonicContact NH2-OE2 3.45Å; R156-E369 PolarHBondContact NH2-OE2 3.05Å; V183-E369 HydrophobicContact CG1-CB 3.8Å; V183-E369 HydrophobicContact CG2-CB 4.05Å; W365-E369 HydrophobicContact CD2-CG 4.49Å; W365-E369 HydrophobicContact CZ2-CG 4.34Å; W365-E369 WeakPolarHBondContact O-CG 3.5Å; W365-E369 PolarHBondContact O-N 2.93Å; N366-E369 PolarHBondContact O-N 3.3Å; E369-R372 WeakPolarHBondContact O-CB 3.44Å; E369-R372 PolarHBondContact O-N 2.72Å; E369-R372 IonicContact OE1-CZ 3.67Å; E369-R372 IonicContact OE1-NH1 3.83Å; E369-R372 PolarHBondContact OE1-NH1 3.39Å; E369-A373 PolarHBondContact O-N 3.2Å
370	R	97.9	Very high	96.5	Very high	23 Å²	23	36.3 Å²	36.3	9%	0.087	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-42.1	173.7	-79.7	177.4	174.3	-90	-2.8	112.6	I143 E149 V183 N366 G367 I368 R372 A373 G374 L375	I143-R370 HydrophobicContact CG2-CB 4.07Å; I143-R370 VanDerWaalsContact CG2-CD 3.46Å; I143-R370 HydrophobicContact CG2-CG 4.4Å; E149-R370 IonicContact OE1-NH2 3.18Å; E149-R370 IonicContact OE2-CZ 3.42Å; E149-R370 IonicContact OE2-NE 2.81Å; E149-R370 IonicContact OE2-NH2 3.39Å; E149-R370 PolarHBondContact OE2-NH2 2.99Å; V183-R370 HydrophobicContact CG1-CG 3.72Å; N366-R370 WeakPolarHBondContact O-CB 3.39Å; N366-R370 WeakPolarHBondContact O-CG 3.5Å; N366-R370 PolarHBondContact O-N 3.19Å; N366-R370 PolarHBondContact OD1-NE 2.72Å; G367-R370 PolarHBondContact O-N 2.73Å; I368-R370 VanDerWaalsContact C-N 3.29Å; I368-R370 PolarHBondContact O-N 3.29Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.27Å; R370-A373 PolarHBondContact O-N 3.08Å; R370-G374 PolarHBondContact O-N 2.81Å; R370-L375 WeakPolarHBondContact CB-O 3.41Å; R370-L375 PolarHBondContact O-N 3.04Å
371	L	96.5	Very high	96.2	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.11	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-32.1	174	-76.1	178.2	0	0	0	113	K37 V39 A111 I143 G367 I368 I377	K37-L371 HydrophobicContact CB-CD1 4.38Å; K37-L371 HydrophobicContact CD-CB 4.02Å; K37-L371 HydrophobicContact CD-CD1 4.43Å; K37-L371 PolarHBondContact NZ-O 2.86Å; V39-L371 HydrophobicContact CG2-CD1 3.43Å; V39-L371 VanDerWaalsContact CG2-CD1 3.43Å; V39-L371 HydrophobicContact CG2-CG 4.47Å; A111-L371 HydrophobicContact CB-CD1 4.15Å; A111-L371 HydrophobicContact CB-CD2 4.32Å; I143-L371 HydrophobicContact CD1-CD1 4.34Å; I143-L371 HydrophobicContact CD1-CD2 3.8Å; I143-L371 HydrophobicContact CD1-CG 3.63Å; G367-L371 WeakPolarHBondContact O-CG 3.43Å; G367-L371 PolarHBondContact O-N 2.87Å; I368-L371 WeakPolarHBondContact O-CB 3.47Å; I368-L371 PolarHBondContact O-N 3.37Å; I368-L371 VanDerWaalsContact O-N 3.16Å; L371-I377 HydrophobicContact CD2-CD1 3.69Å; L371-I377 HydrophobicContact CD2-CG1 3.95Å; L371-I377 HydrophobicContact CD2-CG2 4.45Å
372	R	94.9	Very high	95.8	Very high	108 Å²	108	46.1 Å²	46.1	41%	0.408	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-42.6	175	-75.3	170.5	164.4	162.1	-5.6	111.6	E56 W365 I368 E369 R370 G374	E56-R372 PolarHBondContact O-NH2 3.03Å; W365-R372 VanDerWaalsContact CH2-NH1 3.26Å; I368-R372 WeakPolarHBondContact O-CG 3.44Å; I368-R372 PolarHBondContact O-N 2.86Å; E369-R372 WeakPolarHBondContact O-CB 3.44Å; E369-R372 PolarHBondContact O-N 2.72Å; E369-R372 IonicContact OE1-CZ 3.67Å; E369-R372 IonicContact OE1-NH1 3.83Å; E369-R372 PolarHBondContact OE1-NH1 3.39Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.27Å; R372-G374 VanDerWaalsContact C-N 3.3Å
373	A	94.9	Very high	95.5	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-77.7	-13.9	178.6	0	0	0	0	0	113.7	V183 E369 R370 L375	V183-A373 HydrophobicContact CG2-CB 4.26Å; E369-A373 PolarHBondContact O-N 3.2Å; R370-A373 PolarHBondContact O-N 3.08Å; A373-L375 VanDerWaalsContact C-N 3.35Å; A373-L375 HydrophobicContact CB-CB 4.34Å; A373-L375 HydrophobicContact CB-CD1 3.67Å; A373-L375 HydrophobicContact CB-CG 3.8Å
374	G	94.9	Very high	95.3	Very high	53 Å²	53	49.4 Å²	49.4	55%	0.546	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	27.8	-174.4	0	0	0	0	0	113.3	R370 R372	R370-G374 PolarHBondContact O-N 2.81Å; R372-G374 VanDerWaalsContact C-N 3.3Å
375	L	93.9	Very high	95.1	Very high	73 Å²	73	57.4 Å²	57.4	38%	0.382	31%	0.31	S	S	.	.			trans	-110.9	132.8	-170.2	-65.9	174.8	0	0	0	112.4	R370 A373 I377	R370-L375 WeakPolarHBondContact CB-O 3.41Å; R370-L375 PolarHBondContact O-N 3.04Å; A373-L375 VanDerWaalsContact C-N 3.35Å; A373-L375 HydrophobicContact CB-CB 4.34Å; A373-L375 HydrophobicContact CB-CD1 3.67Å; A373-L375 HydrophobicContact CB-CG 3.8Å; L375-I377 VanDerWaalsContact C-N 3.3Å; L375-I377 PolarHBondContact O-N 3.46Å
376	G	92.9	Very high	95.1	Very high	33 Å²	33	61.1 Å²	61.1	34%	0.34	33%	0.325	S	S	.	.	S	Bend	trans	64.7	30.9	171.3	0	0	0	0	0	114.4	P144	P144-G376 WeakPolarHBondContact CD-O 3.12Å
377	I	96.5	Very high	95	Very high	51 Å²	51	64.9 Å²	64.9	26%	0.262	34%	0.342	S	S	.	.			trans	-91	111.6	176.7	-53.2	166.9	0	0	0	107.8	P141 L371 L375	P141-I377 HydrophobicContact CB-CG2 3.65Å; P141-I377 HydrophobicContact CG-CG2 4.38Å; L371-I377 HydrophobicContact CD2-CD1 3.69Å; L371-I377 HydrophobicContact CD2-CG1 3.95Å; L371-I377 HydrophobicContact CD2-CG2 4.45Å; L375-I377 VanDerWaalsContact C-N 3.3Å; L375-I377 PolarHBondContact O-N 3.46Å
378	L	96.4	Very high	94.9	Very high	59 Å²	59	67.3 Å²	67.3	31%	0.309	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-103.7	122.6	-175.9	-54.5	-176.8	0	0	0	110.3	P141 F142 P144 I384	P141-L378 WeakPolarHBondContact CA-O 3.44Å; F142-L378 HydrophobicContact CD1-CD1 4.4Å; F142-L378 PolarHBondContact N-O 3.28Å; F142-L378 WeakPolarHBondContact O-CB 3.4Å; F142-L378 PolarHBondContact O-N 2.82Å; P144-L378 HydrophobicContact CG-CD1 3.9Å; P144-L378 HydrophobicContact CG-CG 4.49Å; L378-I384 HydrophobicContact CD1-CD1 3.59Å; L378-I384 HydrophobicContact CD1-CG1 4.17Å
379	H	93.4	Very high	94.7	Very high	157 Å²	157	76.6 Å²	76.6	73%	0.727	40%	0.398	S	S	*	.	S	Bend	trans	-95.1	-25.2	173.4	-67.8	-84.8	0	0	0	112.5
380	D	91.8	Very high	94.6	Very high	111 Å²	111	77.3 Å²	77.3	59%	0.594	40%	0.404	S	S	*	.			trans	-103.1	131.5	168.7	-174.3	7.3	0	0	0	109.2	E382	D380-E382 WeakPolarHBondContact OD1-CB 3.28Å; D380-E382 PolarHBondContact OD1-N 2.87Å
381	I	90.8	Very high	94.4	Very high	46 Å²	46	80.7 Å²	80.7	24%	0.236	43%	0.429	C	S	.	.			trans	-104.9	2.9	-178.8	57.4	164.6	0	0	0	113	L132 V135 F142 I384	L132-I381 HydrophobicContact CB-CD1 4.17Å; L132-I381 HydrophobicContact CD2-CB 3.86Å; L132-I381 HydrophobicContact CD2-CD1 4.3Å; L132-I381 HydrophobicContact CD2-CG2 3.88Å; V135-I381 HydrophobicContact CB-CG2 4.44Å; V135-I381 HydrophobicContact CG1-CD1 4.15Å; V135-I381 HydrophobicContact CG1-CG2 3.6Å; F142-I381 HydrophobicContact CB-CG2 3.92Å; F142-I381 HydrophobicContact CG-CG2 4.46Å; I381-I384 HydrophobicContact CB-CD1 4.02Å; I381-I384 HydrophobicContact CG2-CD1 4.04Å
382	E	91	Very high	94.4	Very high	165 Å²	165	80 Å²	80	77%	0.771	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	138.7	176.4	-167.4	164.2	-161.8	0	0	111.1	D380 I384	D380-E382 WeakPolarHBondContact OD1-CB 3.28Å; D380-E382 PolarHBondContact OD1-N 2.87Å; E382-I384 PolarHBondContact O-N 3.24Å; E382-I384 VanDerWaalsContact O-N 3.14Å
383	G	90.4	Very high	94.4	Very high	50 Å²	50	76.7 Å²	76.7	52%	0.515	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-3.4	175.7	0	0	0	0	0	116.6	R385	G383-R385 WeakPolarHBondContact O-CG 3.31Å; G383-R385 PolarHBondContact O-N 3.21Å
384	I	94.6	Very high	94.5	Very high	20 Å²	20	78.6 Å²	78.6	10%	0.103	43%	0.432	C	S	.	.			trans	-60.4	134.9	178.1	-59.3	-180	0	0	0	110.7	L128 L132 F142 L378 I381 E382	L128-I384 HydrophobicContact CD1-CG2 3.78Å; L128-I384 HydrophobicContact CD2-CG2 4.24Å; L132-I384 HydrophobicContact CD1-CB 4.5Å; L132-I384 HydrophobicContact CD2-CD1 4.19Å; F142-I384 HydrophobicContact CD1-CD1 3.53Å; F142-I384 HydrophobicContact CE1-CD1 3.9Å; F142-I384 HydrophobicContact CE1-CG2 4.12Å; F142-I384 HydrophobicContact CG-CD1 4.48Å; L378-I384 HydrophobicContact CD1-CD1 3.59Å; L378-I384 HydrophobicContact CD1-CG1 4.17Å; I381-I384 HydrophobicContact CB-CD1 4.02Å; I381-I384 HydrophobicContact CG2-CD1 4.04Å; E382-I384 PolarHBondContact O-N 3.24Å; E382-I384 VanDerWaalsContact O-N 3.14Å
385	R	95.9	Very high	94.7	Very high	168 Å²	168	79.4 Å²	79.4	63%	0.634	42%	0.423	S	S	*	.			trans	-132.1	155.1	178.6	-59.2	-63.3	176.2	-111.3	2.4	109.9	G383	G383-R385 WeakPolarHBondContact O-CG 3.31Å; G383-R385 PolarHBondContact O-N 3.21Å
386	Y	97.1	Very high	94.9	Very high	85 Å²	85	76.6 Å²	76.6	33%	0.333	41%	0.409	S	S	.	.			trans	-89.6	152.4	168.9	62	-98	0	0	0	110.4	I116 A121 L124 L128 P388	I116-Y386 CarbonylContact O-C 3.58Å; I116-Y386 VanDerWaalsContact O-CA 3.24Å; I116-Y386 WeakPolarHBondContact O-CA 3.26Å; I116-Y386 VanDerWaalsContact O-CB 3.27Å; I116-Y386 WeakPolarHBondContact O-CB 3.49Å; A121-Y386 HydrophobicContact CB-CE2 3.83Å; A121-Y386 WeakPolarHBondContact O-CE2 3.5Å; L124-Y386 HydrophobicContact CB-CD2 3.99Å; L124-Y386 HydrophobicContact CB-CG 3.91Å; L124-Y386 HydrophobicContact CD1-CD2 4.2Å; L128-Y386 HydrophobicContact CD2-CD1 4.13Å; Y386-P388 HydrophobicContact CD2-CG 3.82Å; Y386-P388 HydrophobicContact CE2-CG 3.78Å
387	E	97.8	Very high	95	Very high	80 Å²	80	76 Å²	76	37%	0.374	40%	0.399	S	S	.	.			trans	-122.6	97.9	-179.8	-60.4	173.2	-112.1	0	0	109.1	I116 K117 P118 K389 C390	I116-E387 PolarHBondContact O-N 3.16Å; K117-E387 WeakPolarHBondContact CA-O 3.37Å; K117-E387 HydrophobicContact CB-CB 3.84Å; K117-E387 WeakPolarHBondContact CB-O 3.41Å; K117-E387 HydrophobicContact CD-CB 4.15Å; K117-E387 HydrophobicContact CD-CG 4.34Å; K117-E387 VanDerWaalsContact CD-OE1 3.25Å; K117-E387 WeakPolarHBondContact CD-OE1 3.4Å; K117-E387 IonicContact NZ-OE1 2.68Å; K117-E387 PolarHBondContact NZ-OE1 2.92Å; P118-E387 WeakPolarHBondContact CA-O 3.16Å; E387-K389 PolarHBondContact O-N 3.2Å; E387-C390 HydrophobicContact CB-CB 4.26Å
388	P	96	Very high	95.1	Very high	51 Å²	51	80.8 Å²	80.8	33%	0.331	42%	0.418	S	S	.	.	S	Bend	trans	-60.3	-32	-176.3	-25.3	35.6	0	0	0	113.4	P118 G119 A121 Y386	P118-P388 WeakPolarHBondContact CB-O 3.45Å; G119-P388 PolarHBondContact N-O 3.49Å; G119-P388 VanDerWaalsContact O-CA 3.29Å; G119-P388 WeakPolarHBondContact O-CA 3.37Å; G119-P388 WeakPolarHBondContact O-CB 3.42Å; A121-P388 HydrophobicContact CB-CB 4.04Å; A121-P388 HydrophobicContact CB-CG 3.5Å; Y386-P388 HydrophobicContact CD2-CG 3.82Å; Y386-P388 HydrophobicContact CE2-CG 3.78Å
389	K	94.5	Very high	95.1	Very high	195 Å²	195	82 Å²	82	85%	0.848	42%	0.422	S	S	*	.	S	Bend	trans	-119.1	110.3	175.4	-64.3	-177.1	-179.4	-178	0	108.1	E387	E387-K389 PolarHBondContact O-N 3.2Å
390	C	94.8	Very high	95.2	Very high	24 Å²	24	74.5 Å²	74.5	16%	0.162	39%	0.388	C	S	.	.			trans	-140.6	111.9	174.7	-160.8	0	0	0	0	107.1	K117 H146 E387	K117-C390 HydrophobicContact CB-CB 3.79Å; K117-C390 HydrophobicContact CD-CB 4Å; K117-C390 HydrophobicContact CG-CB 4.09Å; H146-C390 PolarHBondContact NE2-O 3.32Å; E387-C390 HydrophobicContact CB-CB 4.26Å
391	P	93.6	Very high	95.4	Very high	94 Å²	94	70.5 Å²	70.5	61%	0.61	37%	0.373	S	S	*	.			trans	-62.4	148.7	173.6	-21.4	33.5	0	0	0	111.4	G393	P391-G393 PolarHBondContact O-N 3.05Å
392	L	95.6	Very high	95.7	Very high	6 Å²	6	74.1 Å²	74.1	3%	0.031	39%	0.388	C	S	.	.	S	Bend	trans	-77.3	115.3	173.1	178.9	66.6	0	0	0	109.6	M148 E149 L169 L176 A178 F186 L188	M148-L392 HydrophobicContact CB-CB 4.45Å; M148-L392 HydrophobicContact CB-CD1 4.21Å; M148-L392 HydrophobicContact CB-CD2 4.26Å; E149-L392 HydrophobicContact CG-CD1 3.58Å; L169-L392 HydrophobicContact CD1-CD2 4.45Å; L176-L392 HydrophobicContact CD1-CD2 3.72Å; L176-L392 HydrophobicContact CD2-CB 4.29Å; L176-L392 HydrophobicContact CD2-CD2 4.11Å; A178-L392 HydrophobicContact CB-CD2 3.95Å; F186-L392 HydrophobicContact CB-CD1 4.2Å; F186-L392 HydrophobicContact CB-CG 4.13Å; F186-L392 HydrophobicContact CD1-CD1 3.85Å; F186-L392 HydrophobicContact CD1-CD2 4.06Å; F186-L392 HydrophobicContact CD1-CG 4.1Å; F186-L392 HydrophobicContact CD2-CD1 4.14Å; F186-L392 HydrophobicContact CE1-CD1 4.21Å; F186-L392 HydrophobicContact CG-CD1 3.81Å; F186-L392 HydrophobicContact CG-CG 4.17Å; L188-L392 WeakPolarHBondContact CB-O 3.31Å
393	G	95.8	Very high	96	Very high	39 Å²	39	67.8 Å²	67.8	40%	0.402	36%	0.364	S	S	.	.	S	Bend	trans	65.6	-165.4	170.5	0	0	0	0	0	115.6	F186 P391	F186-G393 CarbonylContact O-C 3.5Å; F186-G393 WeakPolarHBondContact O-CA 3.47Å; P391-G393 PolarHBondContact O-N 3.05Å
394	V	97.9	Very high	96.1	Very high	91 Å²	91	67.2 Å²	67.2	55%	0.552	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.8	175.9	-179.4	0	0	0	0	109.3	F186 L187 L188 I396	F186-V394 PolarHBondContact O-N 3.21Å; L187-V394 CarbonylContact C-O 3.57Å; L187-V394 WeakPolarHBondContact CA-O 3.38Å; L187-V394 HydrophobicContact CD2-CB 4.02Å; L188-V394 PolarHBondContact N-O 2.92Å; V394-I396 HydrophobicContact CG1-CG2 4.24Å; V394-I396 PolarHBondContact O-N 2.97Å
395	D	97.8	Very high	96.2	Very high	69 Å²	69	67 Å²	67	37%	0.369	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.1	-179.7	-164.1	-24.3	0	0	0	111.3	L188 K191 S397	L188-D395 HydrophobicContact CD2-CB 4.31Å; K191-D395 IonicContact NZ-OD2 3.19Å; K191-D395 PolarHBondContact NZ-OD2 3.35Å; D395-S397 WeakPolarHBondContact OD1-CB 3.36Å; D395-S397 PolarHBondContact OD1-N 2.87Å; D395-S397 PolarHBondContact OD1-OG 3.47Å
396	I	97.9	Very high	96.1	Very high	15 Å²	15	67.3 Å²	67.3	8%	0.077	36%	0.359	C	S	.	.			trans	-109.4	14.8	175.7	65.1	164.6	0	0	0	112.1	L187 L188 L189 F307 V394 K398 E399 V400	L187-I396 HydrophobicContact CB-CD1 3.78Å; L187-I396 HydrophobicContact CB-CG1 4.04Å; L187-I396 HydrophobicContact CD1-CD1 3.91Å; L187-I396 HydrophobicContact CD2-CG2 4.5Å; L187-I396 HydrophobicContact CG-CD1 4.39Å; L188-I396 WeakPolarHBondContact O-CG1 3.46Å; L188-I396 PolarHBondContact O-N 3.46Å; L189-I396 HydrophobicContact CD2-CD1 3.61Å; L189-I396 HydrophobicContact CD2-CG1 3.87Å; F307-I396 HydrophobicContact CE1-CD1 4.1Å; V394-I396 HydrophobicContact CG1-CG2 4.24Å; V394-I396 PolarHBondContact O-N 2.97Å; I396-K398 PolarHBondContact O-N 3.36Å; I396-K398 VanDerWaalsContact O-N 3.1Å; I396-E399 WeakPolarHBondContact O-CB 3.29Å; I396-E399 PolarHBondContact O-N 3.21Å; I396-V400 PolarHBondContact O-N 3.5Å
397	S	96.7	Very high	96	Very high	21 Å²	21	64.8 Å²	64.8	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-57.2	-29.5	-178.3	60.9	0	0	0	0	113.1	L188 L189 D395 V400 G401	L188-S397 PolarHBondContact O-N 3.36Å; L189-S397 WeakPolarHBondContact O-CA 3.19Å; L189-S397 WeakPolarHBondContact O-CB 3.42Å; D395-S397 WeakPolarHBondContact OD1-CB 3.36Å; D395-S397 PolarHBondContact OD1-N 2.87Å; D395-S397 PolarHBondContact OD1-OG 3.47Å; S397-V400 WeakPolarHBondContact O-CB 3.1Å; S397-V400 PolarHBondContact O-N 3.32Å; S397-G401 PolarHBondContact O-N 3.35Å
398	K	96.8	Very high	95.7	Very high	151 Å²	151	64.7 Å²	64.7	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-64.4	-46.1	174.5	-166.1	-171.2	179.9	-141.9	0	111.9	I396 V400 G401 E402	I396-K398 PolarHBondContact O-N 3.36Å; I396-K398 VanDerWaalsContact O-N 3.1Å; K398-V400 VanDerWaalsContact C-N 3.27Å; K398-V400 PolarHBondContact O-N 3.35Å; K398-G401 WeakPolarHBondContact O-CA 3.42Å; K398-G401 PolarHBondContact O-N 3.39Å; K398-G401 VanDerWaalsContact O-N 3.08Å; K398-E402 WeakPolarHBondContact CE-OE1 3.31Å; K398-E402 IonicContact NZ-OE1 3.69Å; K398-E402 PolarHBondContact NZ-OE1 3.41Å; K398-E402 VanDerWaalsContact NZ-OE1 3.1Å; K398-E402 WeakPolarHBondContact O-CG 3.27Å; K398-E402 PolarHBondContact O-N 3.36Å
399	E	97.3	Very high	95.3	Very high	84 Å²	84	71.3 Å²	71.3	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-37.5	177.6	-62.6	-179.5	-137.8	0	0	111.5	F307 I396 G401 E402 A403	F307-E399 HydrophobicContact CZ-CB 4.36Å; I396-E399 WeakPolarHBondContact O-CB 3.29Å; I396-E399 PolarHBondContact O-N 3.21Å; E399-G401 VanDerWaalsContact C-N 3.32Å; E399-G401 PolarHBondContact O-N 2.75Å; E399-E402 PolarHBondContact O-N 3.46Å; E399-A403 PolarHBondContact O-N 3.44Å
400	V	96.3	Very high	95.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-43	174	-178.8	0	0	0	0	111	L189 C249 F307 I396 S397 K398	L189-V400 HydrophobicContact CB-CG2 4.32Å; L189-V400 HydrophobicContact CD2-CG2 4.02Å; C249-V400 HydrophobicContact CB-CG1 4.27Å; C249-V400 VanDerWaalsContact SG-CG1 3.51Å; F307-V400 HydrophobicContact CB-CG1 4.47Å; F307-V400 HydrophobicContact CD1-CG2 3.8Å; F307-V400 HydrophobicContact CD2-CB 4.31Å; F307-V400 HydrophobicContact CD2-CG1 4.32Å; F307-V400 HydrophobicContact CD2-CG2 4.16Å; F307-V400 HydrophobicContact CE1-CG2 3.7Å; F307-V400 HydrophobicContact CE2-CB 4.35Å; F307-V400 HydrophobicContact CE2-CG2 4.06Å; F307-V400 HydrophobicContact CG-CB 4.49Å; F307-V400 HydrophobicContact CG-CG1 4.27Å; F307-V400 HydrophobicContact CG-CG2 4.02Å; F307-V400 HydrophobicContact CZ-CG2 3.83Å; I396-V400 PolarHBondContact O-N 3.5Å; S397-V400 WeakPolarHBondContact O-CB 3.1Å; S397-V400 PolarHBondContact O-N 3.32Å; K398-V400 VanDerWaalsContact C-N 3.27Å; K398-V400 PolarHBondContact O-N 3.35Å
401	G	95.6	Very high	94.7	Very high	27 Å²	27	70.3 Å²	70.3	28%	0.278	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-42.6	175.6	0	0	0	0	0	113.3	S397 K398 E399 A403 A404	S397-G401 PolarHBondContact O-N 3.35Å; K398-G401 WeakPolarHBondContact O-CA 3.42Å; K398-G401 PolarHBondContact O-N 3.39Å; K398-G401 VanDerWaalsContact O-N 3.08Å; E399-G401 VanDerWaalsContact C-N 3.32Å; E399-G401 PolarHBondContact O-N 2.75Å; G401-A403 VanDerWaalsContact C-N 3.33Å; G401-A403 PolarHBondContact O-N 3.26Å; G401-A404 PolarHBondContact O-N 3.19Å; G401-A404 VanDerWaalsContact O-N 3.12Å
402	E	96.8	Very high	94.4	Very high	122 Å²	122	67 Å²	67	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-66.1	-32.9	179.3	-72.3	171.5	-179.2	0	0	112.3	K398 E399 A404	K398-E402 WeakPolarHBondContact CE-OE1 3.31Å; K398-E402 IonicContact NZ-OE1 3.69Å; K398-E402 PolarHBondContact NZ-OE1 3.41Å; K398-E402 VanDerWaalsContact NZ-OE1 3.1Å; K398-E402 WeakPolarHBondContact O-CG 3.27Å; K398-E402 PolarHBondContact O-N 3.36Å; E399-E402 PolarHBondContact O-N 3.46Å; E402-A404 PolarHBondContact O-N 3.22Å; E402-A404 VanDerWaalsContact O-N 3.14Å
403	A	96.2	Very high	93.8	Very high	31 Å²	31	73.7 Å²	73.7	26%	0.256	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.8	173.4	0	0	0	0	0	113.3	F307 E399 G401 I405	F307-A403 HydrophobicContact CD2-CB 3.81Å; F307-A403 HydrophobicContact CE2-CB 3.91Å; E399-A403 PolarHBondContact O-N 3.44Å; G401-A403 VanDerWaalsContact C-N 3.33Å; G401-A403 PolarHBondContact O-N 3.26Å; A403-I405 HydrophobicContact CB-CD1 4.12Å; A403-I405 HydrophobicContact CB-CG1 4.05Å; A403-I405 PolarHBondContact O-N 3.16Å
404	A	94.4	Very high	93.2	Very high	39 Å²	39	75.2 Å²	75.2	32%	0.322	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	33.3	171	0	0	0	0	0	114.7	K247 G401 E402 K406	K247-A404 HydrophobicContact CD-CB 3.79Å; K247-A404 WeakPolarHBondContact CD-O 3.38Å; G401-A404 PolarHBondContact O-N 3.19Å; G401-A404 VanDerWaalsContact O-N 3.12Å; E402-A404 PolarHBondContact O-N 3.22Å; E402-A404 VanDerWaalsContact O-N 3.14Å; A404-K406 PolarHBondContact O-N 3.1Å
405	I	95.8	Very high	93	Very high	16 Å²	16	74.5 Å²	74.5	8%	0.082	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.8	124.6	-174.1	-65.4	168.8	0	0	0	110.5	R303 L306 F307 A403	R303-I405 HydrophobicContact CG-CB 4.12Å; R303-I405 HydrophobicContact CG-CG2 4.32Å; R303-I405 PolarHBondContact NE-O 2.94Å; L306-I405 HydrophobicContact CB-CG2 3.89Å; L306-I405 HydrophobicContact CD1-CG2 3.92Å; F307-I405 HydrophobicContact CB-CD1 3.65Å; F307-I405 HydrophobicContact CD2-CD1 3.97Å; F307-I405 HydrophobicContact CG-CD1 4.31Å; A403-I405 HydrophobicContact CB-CD1 4.12Å; A403-I405 HydrophobicContact CB-CG1 4.05Å; A403-I405 PolarHBondContact O-N 3.16Å
406	K	94.1	Very high	92.8	Very high	173 Å²	173	74.7 Å²	74.7	75%	0.752	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-83.6	130.6	171.5	-68	-176.9	-178.3	176.9	0	109	A404	A404-K406 PolarHBondContact O-N 3.1Å
407	V	94	Very high	92.5	Very high	33 Å²	33	78.1 Å²	78.1	20%	0.2	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-94.4	125.9	-178.9	-178.3	0	0	0	0	108.8	H302 R303	H302-V407 HydrophobicContact CB-CG1 3.68Å; H302-V407 WeakPolarHBondContact ND1-CG1 3.46Å; R303-V407 HydrophobicContact CB-CG2 3.63Å; R303-V407 HydrophobicContact CG-CG2 4.16Å
408	P	91.9	Very high	92.2	Very high	78 Å²	78	81.4 Å²	81.4	51%	0.506	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-56.6	145.7	171.4	-23.6	32.8	0	0	0	111.7	L410	P408-L410 PolarHBondContact O-N 3.27Å
409	Q	87	Confident	91.9	Very high	190 Å²	190	77.1 Å²	77.1	89%	0.888	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-70.1	126	176.1	-171.4	172.5	0.5	0	0	109.7
410	L	90.6	Very high	91.6	Very high	39 Å²	39	76.6 Å²	76.6	20%	0.204	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-103.1	132	172.8	-70.8	170.4	0	0	0	109.1	V298 H302 L340 A343 P408 M412	V298-L410 HydrophobicContact CG1-CD1 4.05Å; H302-L410 VanDerWaalsContact ND1-CD1 3.35Å; H302-L410 WeakPolarHBondContact ND1-CD1 3.41Å; L340-L410 HydrophobicContact CB-CD1 4.32Å; L340-L410 HydrophobicContact CD1-CD1 3.63Å; A343-L410 HydrophobicContact CB-CD2 3.49Å; A343-L410 VanDerWaalsContact CB-CD2 3.49Å; P408-L410 PolarHBondContact O-N 3.27Å; L410-M412 HydrophobicContact CB-SD 4.33Å; L410-M412 PolarHBondContact O-N 3.47Å
411	K	87.8	Confident	91.2	Very high	159 Å²	159	82.1 Å²	82.1	69%	0.691	42%	0.423	S	S	*	.			trans	-78.3	115.3	171.3	-70.7	-173.5	178.3	-176.8	0	108.7	E413	K411-E413 VanDerWaalsContact C-N 3.31Å; K411-E413 HydrophobicContact CB-CG 4.44Å; K411-E413 PolarHBondContact O-N 3.14Å; K411-E413 VanDerWaalsContact O-N 3.16Å
412	M	87.1	Confident	90.9	Very high	24 Å²	24	86.3 Å²	86.3	12%	0.118	43%	0.434	C	S	.	.			trans	-89	69.8	179.7	-58.4	-56.2	-60.2	0	0	109.9	V298 A336 I339 L410 I414	V298-M412 HydrophobicContact CG1-SD 4.14Å; V298-M412 HydrophobicContact CG2-CE 3.98Å; A336-M412 HydrophobicContact CB-CE 3.34Å; I339-M412 HydrophobicContact CD1-CE 4.42Å; I339-M412 HydrophobicContact CG2-SD 4.5Å; L410-M412 HydrophobicContact CB-SD 4.33Å; L410-M412 PolarHBondContact O-N 3.47Å; M412-I414 HydrophobicContact CE-CD1 3.83Å; M412-I414 PolarHBondContact O-N 3.16Å
413	E	82.3	Confident	90.4	Very high	146 Å²	146	83.3 Å²	83.3	68%	0.682	42%	0.423	S	S	*	.			trans	-85.6	80.5	174.7	-68.5	177.2	-162.9	0	0	109	K411	K411-E413 VanDerWaalsContact C-N 3.31Å; K411-E413 HydrophobicContact CB-CG 4.44Å; K411-E413 PolarHBondContact O-N 3.14Å; K411-E413 VanDerWaalsContact O-N 3.16Å
414	I	83.9	Confident	89.9	Confident	72 Å²	72	88.1 Å²	88.1	37%	0.369	44%	0.438	S	S	.	.			trans	-100.5	0	178.7	-57.9	163.6	0	0	0	110.4	R234 Y332 R335 A336 I339 M412	R234-I414 PolarHBondContact NH1-O 3.38Å; Y332-I414 HydrophobicContact CD1-CD1 3.93Å; Y332-I414 HydrophobicContact CD2-CB 4.31Å; Y332-I414 HydrophobicContact CD2-CG2 3.56Å; Y332-I414 HydrophobicContact CE1-CD1 3.41Å; Y332-I414 VanDerWaalsContact CE1-CD1 3.41Å; Y332-I414 HydrophobicContact CE2-CB 3.72Å; Y332-I414 HydrophobicContact CE2-CD1 4.06Å; Y332-I414 HydrophobicContact CE2-CG2 3.48Å; Y332-I414 VanDerWaalsContact CE2-CG2 3.48Å; Y332-I414 HydrophobicContact CG-CD1 4.44Å; Y332-I414 HydrophobicContact CG-CG2 4.19Å; Y332-I414 VanDerWaalsContact CZ-CD1 3.47Å; R335-I414 HydrophobicContact CB-CG1 4.41Å; R335-I414 HydrophobicContact CB-CG2 3.85Å; R335-I414 HydrophobicContact CG-CG2 4.5Å; A336-I414 HydrophobicContact CB-CD1 3.69Å; I339-I414 HydrophobicContact CD1-CG1 3.71Å; M412-I414 HydrophobicContact CE-CD1 3.83Å; M412-I414 PolarHBondContact O-N 3.16Å

Retrieved 414 of 414 residues in 154.7 ms (Link to these results)

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