G4VJ82_SCHMA Loading...

Cytoplasmic tRNA 2-thiolation protein 2

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of tRNA(Lys), tRNA(Glu) and tRNA(Gln). May act by forming a heterodimer with NCS6/CTU1 that ligates sulfur from thiocarboxylated URM1 onto the uridine of tRNAs at wobble position.

AlphaFold DB , UniProt , Accession G4VJ82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	42.7	Very low	245 Å²	245	134.1 Å²	134.1	100%	1.207	73%	0.726	S	S	*	*				0	102.1	0	-72.1	174.4	74.5	0	0	108.3
2	C	39.6	Very low	42.3	Very low	123 Å²	123	135.6 Å²	135.6	83%	0.831	72%	0.721	S	S	*	*			trans	-153.6	87.4	158	-139.7	0	0	0	0	103.6
3	N	35.4	Very low	42.4	Very low	157 Å²	157	130.7 Å²	130.7	84%	0.84	70%	0.7	S	S	*	*			trans	-84.8	112.6	173.4	-81.2	-0.3	0	0	0	106.7
4	Q	46	Very low	43.2	Very low	155 Å²	155	126.3 Å²	126.3	72%	0.724	68%	0.684	S	S	*	*			trans	-112.3	99.5	157.7	-76.9	-176.9	-41.6	0	0	106.4	E6	Q4-E6 VanDerWaalsContact C-N 3.33Å; Q4-E6 HydrophobicContact CB-CG 4.29Å; Q4-E6 PolarHBondContact O-N 3.3Å; Q4-E6 VanDerWaalsContact O-N 3.16Å
5	E	40.8	Very low	44.2	Very low	193 Å²	193	123.2 Å²	123.2	90%	0.902	67%	0.666	S	S	*	*			trans	-68.7	98	156.8	-70.8	176.7	168.1	0	0	106
6	E	47.5	Very low	44.8	Very low	133 Å²	133	118.9 Å²	118.9	62%	0.621	65%	0.648	S	S	*	*			trans	-93	121.1	170.1	-73	-169.4	159	0	0	109.5	Q4 C8	Q4-E6 VanDerWaalsContact C-N 3.33Å; Q4-E6 HydrophobicContact CB-CG 4.29Å; Q4-E6 PolarHBondContact O-N 3.3Å; Q4-E6 VanDerWaalsContact O-N 3.16Å; E6-C8 PolarHBondContact O-N 3Å
7	D	41	Very low	45.5	Very low	135 Å²	135	118.9 Å²	118.9	72%	0.722	64%	0.641	S	S	*	*			trans	-46.9	121.4	173.8	-78.1	-46.9	0	0	0	112.6	S9 C10	D7-S9 PolarHBondContact O-N 2.92Å; D7-C10 PolarHBondContact O-SG 3.37Å
8	C	49.7	Very low	46.2	Very low	91 Å²	91	117.8 Å²	117.8	62%	0.615	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-3.1	-174.8	-147.6	0	0	0	0	115	E6	E6-C8 PolarHBondContact O-N 3Å
9	S	48.7	Very low	46.9	Very low	87 Å²	87	119.8 Å²	119.8	61%	0.608	63%	0.632	S	S	*	*	H	α-helix	trans	-77.3	-29.7	-177.6	67.8	0	0	0	0	113.6	D7 T13	D7-S9 PolarHBondContact O-N 2.92Å; S9-T13 PolarHBondContact O-N 3.42Å; S9-T13 PolarHBondContact O-OG1 3.21Å
10	C	45.1	Very low	47.5	Very low	66 Å²	66	120.5 Å²	120.5	45%	0.446	63%	0.631	S	S	.	*	H	α-helix	trans	-73.8	-30.6	179.7	59.8	0	0	0	0	112.5	D7 T13 S14	D7-C10 PolarHBondContact O-SG 3.37Å; C10-T13 PolarHBondContact O-N 3.48Å; C10-T13 PolarHBondContact O-OG1 3.16Å; C10-S14 PolarHBondContact O-N 3.1Å; C10-S14 VanDerWaalsContact O-N 3.07Å
11	L	40.7	Very low	48.2	Very low	90 Å²	90	122.3 Å²	122.3	47%	0.471	63%	0.63	S	S	.	*	H	α-helix	trans	-62.9	-45.2	174.1	-100.1	100.1	0	0	0	111.7	T13 S14 I15	L11-T13 PolarHBondContact O-N 3.09Å; L11-S14 PolarHBondContact O-N 2.97Å; L11-S14 PolarHBondContact O-OG 2.71Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.18Å
12	F	37.1	Very low	50.1	Low	152 Å²	152	114.2 Å²	114.2	67%	0.667	59%	0.59	S	S	*	*	H	α-helix	trans	-63.2	-39.8	-179.9	-88.1	-80.5	0	0	0	112.8	S14 I15 S16	F12-S14 VanDerWaalsContact C-N 3.34Å; F12-I15 PolarHBondContact O-N 3.07Å; F12-S16 PolarHBondContact O-N 3.5Å; F12-S16 PolarHBondContact O-OG 2.95Å
13	T	43.8	Very low	52	Low	72 Å²	72	111 Å²	111	44%	0.442	57%	0.569	S	S	.	*	H	α-helix	trans	-68	-34	175.7	8	0	0	0	0	112.2	S9 C10 L11 S16 K17	S9-T13 PolarHBondContact O-N 3.42Å; S9-T13 PolarHBondContact O-OG1 3.21Å; C10-T13 PolarHBondContact O-N 3.48Å; C10-T13 PolarHBondContact O-OG1 3.16Å; L11-T13 PolarHBondContact O-N 3.09Å; T13-S16 WeakPolarHBondContact CA-OG 3.29Å; T13-S16 PolarHBondContact O-OG 3.15Å; T13-S16 VanDerWaalsContact O-OG 3.09Å; T13-K17 VanDerWaalsContact O-CB 3.29Å; T13-K17 WeakPolarHBondContact O-CB 3.29Å; T13-K17 WeakPolarHBondContact O-CG 3.48Å; T13-K17 PolarHBondContact O-N 2.89Å; T13-K17 VanDerWaalsContact O-N 3.08Å
14	S	54.2	Low	54.4	Low	69 Å²	69	107.8 Å²	107.8	48%	0.483	55%	0.549	S	S	.	.	H	α-helix	trans	-68.2	-39.2	175.6	79.6	0	0	0	0	111.8	C10 L11 F12 K18	C10-S14 PolarHBondContact O-N 3.1Å; C10-S14 VanDerWaalsContact O-N 3.07Å; L11-S14 PolarHBondContact O-N 2.97Å; L11-S14 PolarHBondContact O-OG 2.71Å; F12-S14 VanDerWaalsContact C-N 3.34Å; S14-K18 WeakPolarHBondContact O-CB 3.22Å; S14-K18 PolarHBondContact O-N 3.37Å
15	I	58.3	Low	56.6	Low	80 Å²	80	100.4 Å²	100.4	41%	0.41	51%	0.514	S	S	.	.	H	α-helix	trans	-71.7	-42.8	179.5	-66.4	164.9	0	0	0	110.8	L11 F12 K18 K19	L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.18Å; F12-I15 PolarHBondContact O-N 3.07Å; I15-K18 PolarHBondContact O-N 3.34Å; I15-K19 PolarHBondContact O-N 3.08Å
16	S	53.1	Low	58.9	Low	55 Å²	55	95.3 Å²	95.3	39%	0.385	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-47.8	176.6	62.2	0	0	0	0	111.3	F12 T13 K18 K19 E20	F12-S16 PolarHBondContact O-N 3.5Å; F12-S16 PolarHBondContact O-OG 2.95Å; T13-S16 WeakPolarHBondContact CA-OG 3.29Å; T13-S16 PolarHBondContact O-OG 3.15Å; T13-S16 VanDerWaalsContact O-OG 3.09Å; S16-K18 VanDerWaalsContact C-N 3.27Å; S16-K18 PolarHBondContact O-N 3.31Å; S16-K19 PolarHBondContact O-N 2.9Å; S16-K19 VanDerWaalsContact O-N 3.15Å; S16-E20 PolarHBondContact O-N 3.07Å
17	K	56.8	Low	61	Low	119 Å²	119	94.6 Å²	94.6	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-59.7	-36.3	173.4	-73.6	177	179.5	178	0	112.1	T13 R21	T13-K17 VanDerWaalsContact O-CB 3.29Å; T13-K17 WeakPolarHBondContact O-CB 3.29Å; T13-K17 WeakPolarHBondContact O-CG 3.48Å; T13-K17 PolarHBondContact O-N 2.89Å; T13-K17 VanDerWaalsContact O-N 3.08Å; K17-R21 WeakPolarHBondContact O-CB 3.2Å; K17-R21 VanDerWaalsContact O-CG 3.25Å; K17-R21 WeakPolarHBondContact O-CG 3.25Å; K17-R21 PolarHBondContact O-N 2.89Å; K17-R21 VanDerWaalsContact O-N 3.07Å
18	K	57.8	Low	63.4	Low	99 Å²	99	91.1 Å²	91.1	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-67.5	-41.7	176.2	-169.1	168.2	-169.8	160	0	111.7	S14 I15 S16 I22 D39	S14-K18 WeakPolarHBondContact O-CB 3.22Å; S14-K18 PolarHBondContact O-N 3.37Å; I15-K18 PolarHBondContact O-N 3.34Å; S16-K18 VanDerWaalsContact C-N 3.27Å; S16-K18 PolarHBondContact O-N 3.31Å; K18-I22 HydrophobicContact CG-CD1 4.47Å; K18-I22 WeakPolarHBondContact O-CD1 3.41Å; K18-I22 WeakPolarHBondContact O-CG1 3.32Å; K18-D39 IonicContact NZ-OD1 3.88Å; K18-D39 PolarHBondContact NZ-OD1 3.44Å
19	K	59.1	Low	65.3	Low	156 Å²	156	92.8 Å²	92.8	68%	0.678	47%	0.472	S	S	*	.	H	α-helix	trans	-66	-42.8	175	-76.6	-176.1	177.3	-178.5	0	112	I15 S16 R21 I22 S23	I15-K19 PolarHBondContact O-N 3.08Å; S16-K19 PolarHBondContact O-N 2.9Å; S16-K19 VanDerWaalsContact O-N 3.15Å; K19-R21 PolarHBondContact O-N 3.09Å; K19-I22 PolarHBondContact O-N 3.46Å; K19-S23 PolarHBondContact O-N 3.01Å
20	E	58.9	Low	67.3	Low	133 Å²	133	90.6 Å²	90.6	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-59.7	-44.8	175.9	-79.9	-179.3	163.8	0	0	112	S16 I22 S23	S16-E20 PolarHBondContact O-N 3.07Å; E20-I22 PolarHBondContact O-N 3.03Å; E20-I22 VanDerWaalsContact O-N 3.09Å; E20-S23 PolarHBondContact O-N 3.32Å; E20-S23 PolarHBondContact O-OG 3.26Å
21	R	63.3	Low	69.2	Low	159 Å²	159	92.4 Å²	92.4	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-60	-22.1	179	-78.3	176.2	-179.9	-170.3	1.2	114.5	K17 K19 S42	K17-R21 WeakPolarHBondContact O-CB 3.2Å; K17-R21 VanDerWaalsContact O-CG 3.25Å; K17-R21 WeakPolarHBondContact O-CG 3.25Å; K17-R21 PolarHBondContact O-N 2.89Å; K17-R21 VanDerWaalsContact O-N 3.07Å; K19-R21 PolarHBondContact O-N 3.09Å; R21-S42 WeakPolarHBondContact O-CB 3.35Å; R21-S42 PolarHBondContact O-N 3.22Å; R21-S42 PolarHBondContact O-OG 3.32Å
22	I	74.3	Confident	71.2	Confident	74 Å²	74	90.5 Å²	90.5	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-92.4	-20.5	-179.7	-61.7	165.8	0	0	0	111.3	K18 K19 E20 P32 S42	K18-I22 HydrophobicContact CG-CD1 4.47Å; K18-I22 WeakPolarHBondContact O-CD1 3.41Å; K18-I22 WeakPolarHBondContact O-CG1 3.32Å; K19-I22 PolarHBondContact O-N 3.46Å; E20-I22 PolarHBondContact O-N 3.03Å; E20-I22 VanDerWaalsContact O-N 3.09Å; I22-P32 VanDerWaalsContact O-CG 3.26Å; I22-P32 WeakPolarHBondContact O-CG 3.38Å; I22-S42 PolarHBondContact O-OG 3.32Å
23	S	79.6	Confident	73.2	Confident	55 Å²	55	86.3 Å²	86.3	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-81	-26.6	-169.7	65.5	0	0	0	0	115.4	K19 E20 P32	K19-S23 PolarHBondContact O-N 3.01Å; E20-S23 PolarHBondContact O-N 3.32Å; E20-S23 PolarHBondContact O-OG 3.26Å; S23-P32 WeakPolarHBondContact O-CD 3.39Å; S23-P32 WeakPolarHBondContact O-CG 3.26Å
24	H	86.8	Confident	75.2	Confident	91 Å²	91	83.2 Å²	83.2	42%	0.421	43%	0.434	S	S	.	.	S	Bend	trans	-143.9	146.8	-176.1	-60.9	88	0	0	0	110.5	I26 Q29 S42	H24-I26 PolarHBondContact O-N 2.82Å; H24-I26 VanDerWaalsContact O-N 3.14Å; H24-Q29 PolarHBondContact CD2-O 3.3Å; H24-S42 PolarHBondContact O-OG 3.26Å
25	C	91.5	Very high	76.6	Confident	0 Å²	0	83 Å²	83	0%	0	43%	0.427	C	S	.	.			trans	-54.4	120.2	174	176.5	0	0	0	0	110.6	K27 C28 Q29 S30 S42 C44 C47	C25-K27 PolarHBondContact O-N 3.44Å; C25-C28 PolarHBondContact O-N 3.14Å; C25-Q29 WeakPolarHBondContact O-CA 3.1Å; C25-Q29 PolarHBondContact O-N 2.94Å; C25-S30 VanDerWaalsContact CB-O 3.26Å; C25-S30 WeakPolarHBondContact CB-O 3.44Å; C25-S30 PolarHBondContact N-O 2.69Å; C25-S42 WeakPolarHBondContact CA-O 3.18Å; C25-C44 HydrophobicContact CB-CB 3.9Å; C25-C44 PolarHBondContact SG-N 2.77Å; C25-C47 VanDerWaalsContact SG-SG 3.69Å
26	I	90.4	Very high	77.7	Confident	85 Å²	85	80 Å²	80	44%	0.436	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.9	-175.6	-162.5	164.5	0	0	0	113.6	H24 P41 S42 L43	H24-I26 PolarHBondContact O-N 2.82Å; H24-I26 VanDerWaalsContact O-N 3.14Å; I26-P41 HydrophobicContact CB-CB 3.95Å; I26-P41 HydrophobicContact CD1-CB 3.6Å; I26-P41 HydrophobicContact CG1-CB 4.39Å; I26-P41 HydrophobicContact CG2-CB 3.67Å; I26-P41 HydrophobicContact CG2-CG 4.2Å; I26-S42 PolarHBondContact N-O 2.77Å; I26-L43 HydrophobicContact CG2-CD2 3.75Å
27	K	90.1	Very high	79	Confident	118 Å²	118	81.7 Å²	81.7	51%	0.513	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-33.8	-176.5	-70.2	-168.4	-179.6	-178.8	0	114.1	C25 L43 C47	C25-K27 PolarHBondContact O-N 3.44Å; K27-L43 HydrophobicContact CB-CD2 4.47Å; K27-L43 HydrophobicContact CD-CD2 4.15Å; K27-L43 HydrophobicContact CG-CD2 3.91Å; K27-C47 HydrophobicContact CB-CB 4.16Å; K27-C47 HydrophobicContact CD-CB 4.12Å
28	C	92.8	Very high	79.9	Confident	62 Å²	62	83 Å²	83	42%	0.419	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	4.6	-171.5	68.8	0	0	0	0	114.6	C25 S30 C47	C25-C28 PolarHBondContact O-N 3.14Å; C28-S30 PolarHBondContact O-N 2.96Å; C28-S30 PolarHBondContact SG-OG 2.81Å; C28-C47 PolarHBondContact SG-SG 2.75Å
29	Q	88.5	Confident	80.6	Confident	127 Å²	127	83.6 Å²	83.6	59%	0.593	42%	0.424	S	S	*	.			trans	61.2	4	178.6	-53.6	-61.7	-17.5	0	0	116.2	H24 C25	H24-Q29 PolarHBondContact CD2-O 3.3Å; C25-Q29 WeakPolarHBondContact O-CA 3.1Å; C25-Q29 PolarHBondContact O-N 2.94Å
30	S	90	Very high	81.6	Confident	40 Å²	40	77.4 Å²	77.4	28%	0.28	40%	0.398	S	S	.	.	S	Bend	trans	-68.5	163.5	171.3	65.2	0	0	0	0	112.4	C25 C28 C44	C25-S30 VanDerWaalsContact CB-O 3.26Å; C25-S30 WeakPolarHBondContact CB-O 3.44Å; C25-S30 PolarHBondContact N-O 2.69Å; C28-S30 PolarHBondContact O-N 2.96Å; C28-S30 PolarHBondContact SG-OG 2.81Å; S30-C44 WeakPolarHBondContact OG-CB 3.26Å; S30-C44 PolarHBondContact OG-SG 2.82Å
31	P	86.1	Confident	82.8	Confident	105 Å²	105	73.4 Å²	73.4	68%	0.682	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-52.8	132.6	177	-27.8	35.8	0	0	0	112.1	C44	P31-C44 WeakPolarHBondContact O-CB 3.27Å
32	P	81.7	Confident	84	Confident	49 Å²	49	66 Å²	66	32%	0.318	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-73.6	143.7	-177	30.9	-32.3	0	0	0	109.7	I22 S23	I22-P32 VanDerWaalsContact O-CG 3.26Å; I22-P32 WeakPolarHBondContact O-CG 3.38Å; S23-P32 WeakPolarHBondContact O-CD 3.39Å; S23-P32 WeakPolarHBondContact O-CG 3.26Å
33	A	80.7	Confident	84.9	Confident	64 Å²	64	62.7 Å²	62.7	53%	0.529	34%	0.339	S	S	.	.			trans	-120.5	-16.8	176.5	0	0	0	0	0	112.2	L43	A33-L43 PolarHBondContact N-O 2.88Å
34	V	84.2	Confident	85.6	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.042	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-133.9	128	-168.7	-176.6	0	0	0	0	110.9	I36 S42 L43 F48 L242 F246	V34-I36 HydrophobicContact CG1-CG1 3.94Å; V34-S42 WeakPolarHBondContact O-CA 3.42Å; V34-L43 PolarHBondContact N-O 3.3Å; V34-L43 PolarHBondContact O-N 2.87Å; V34-L43 VanDerWaalsContact O-N 3.13Å; V34-F48 HydrophobicContact CB-CB 4.44Å; V34-F48 HydrophobicContact CB-CD2 4.48Å; V34-F48 HydrophobicContact CB-CG 4.4Å; V34-F48 HydrophobicContact CG1-CD2 3.85Å; V34-F48 HydrophobicContact CG1-CE2 4.16Å; V34-F48 HydrophobicContact CG1-CG 4.17Å; V34-F48 HydrophobicContact CG2-CB 4.02Å; V34-F48 HydrophobicContact CG2-CD1 4.26Å; V34-F48 HydrophobicContact CG2-CG 4Å; V34-L242 HydrophobicContact CG1-CD1 3.82Å; V34-F246 HydrophobicContact CG2-CD2 4.45Å; V34-F246 HydrophobicContact CG2-CE2 3.27Å; V34-F246 HydrophobicContact CG2-CZ 3.49Å; V34-F246 VanDerWaalsContact CG2-CZ 3.49Å
35	L	84	Confident	85.9	Confident	64 Å²	64	60.1 Å²	60.1	34%	0.335	32%	0.321	S	S	.	.			trans	-131.1	103.4	164.6	-171	72	0	0	0	108	R37 D40 K238	L35-R37 VanDerWaalsContact CD1-O 3.32Å; L35-R37 WeakPolarHBondContact CD1-O 3.27Å; L35-R37 WeakPolarHBondContact CG-O 3.32Å; L35-D40 VanDerWaalsContact CD1-O 3.27Å; L35-D40 WeakPolarHBondContact CD1-O 3.5Å; L35-K238 PolarHBondContact O-NZ 3Å
36	I	81.6	Confident	86	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.097	34%	0.343	C	S	.	.	S	Bend	trans	-71.8	-55.9	-178.1	-55	160	0	0	0	108.7	V34 D40 F48 L236 K238 E239	V34-I36 HydrophobicContact CG1-CG1 3.94Å; I36-D40 WeakPolarHBondContact CB-OD2 3.43Å; I36-F48 HydrophobicContact CD1-CD2 4.31Å; I36-F48 HydrophobicContact CD1-CE2 3.82Å; I36-F48 HydrophobicContact CG1-CE2 4.14Å; I36-L236 HydrophobicContact CG2-CD1 3.81Å; I36-K238 HydrophobicContact CG2-CD 4.48Å; I36-K238 PolarHBondContact O-NZ 3.29Å; I36-E239 HydrophobicContact CD1-CG 3.75Å; I36-E239 HydrophobicContact CG1-CG 4.24Å; I36-E239 HydrophobicContact CG2-CG 4.04Å
37	R	81.6	Confident	86.2	Confident	89 Å²	89	59.9 Å²	59.9	34%	0.336	33%	0.327	S	S	.	.	S	Bend	trans	-120.9	157.6	174.7	-52.7	178.6	-74	178.4	-1.5	110	L35 D39 D40 P288	L35-R37 VanDerWaalsContact CD1-O 3.32Å; L35-R37 WeakPolarHBondContact CD1-O 3.27Å; L35-R37 WeakPolarHBondContact CG-O 3.32Å; R37-D39 PolarHBondContact O-N 3.33Å; R37-D39 VanDerWaalsContact O-N 3.12Å; R37-D40 HydrophobicContact CB-CB 4.31Å; R37-D40 VanDerWaalsContact CB-OD2 3.23Å; R37-D40 WeakPolarHBondContact CB-OD2 3.41Å; R37-D40 WeakPolarHBondContact CG-OD2 3.42Å; R37-D40 IonicContact CZ-OD1 2.66Å; R37-D40 VanDerWaalsContact CZ-OD1 3.24Å; R37-D40 IonicContact CZ-OD2 3.87Å; R37-D40 PolarHBondContact N-OD2 3.05Å; R37-D40 VanDerWaalsContact N-OD2 3.16Å; R37-D40 VanDerWaalsContact NE-CG 3.26Å; R37-D40 IonicContact NE-OD1 2.78Å; R37-D40 PolarHBondContact NE-OD1 2.81Å; R37-D40 IonicContact NE-OD2 3.14Å; R37-D40 PolarHBondContact NE-OD2 3.13Å; R37-D40 IonicContact NH2-OD1 2.88Å; R37-D40 PolarHBondContact NH2-OD1 3.12Å; R37-D40 IonicContact NH2-OD2 2.74Å; R37-D40 PolarHBondContact O-N 3.49Å; R37-P288 HydrophobicContact CB-CB 3.9Å; R37-P288 HydrophobicContact CB-CG 4.01Å; R37-P288 HydrophobicContact CG-CB 3.65Å; R37-P288 HydrophobicContact CG-CG 4.24Å
38	K	74.4	Confident	86.4	Confident	146 Å²	146	54.3 Å²	54.3	64%	0.635	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.7	-179.7	-71.3	-176.9	178.7	177.2	0	113.6
39	D	73.7	Confident	86.5	Confident	112 Å²	112	52.3 Å²	52.3	60%	0.599	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.4	-178.4	-52	-50.4	0	0	0	113.2	K18 R37	K18-D39 IonicContact NZ-OD1 3.88Å; K18-D39 PolarHBondContact NZ-OD1 3.44Å; R37-D39 PolarHBondContact O-N 3.33Å; R37-D39 VanDerWaalsContact O-N 3.12Å
40	D	79.6	Confident	86.7	Confident	27 Å²	27	50.7 Å²	50.7	14%	0.144	28%	0.283	C	S	.	.	S	Bend	trans	-74.2	146.5	173.2	-76.2	-26.9	0	0	0	110.5	L35 I36 R37	L35-D40 VanDerWaalsContact CD1-O 3.27Å; L35-D40 WeakPolarHBondContact CD1-O 3.5Å; I36-D40 WeakPolarHBondContact CB-OD2 3.43Å; R37-D40 HydrophobicContact CB-CB 4.31Å; R37-D40 VanDerWaalsContact CB-OD2 3.23Å; R37-D40 WeakPolarHBondContact CB-OD2 3.41Å; R37-D40 WeakPolarHBondContact CG-OD2 3.42Å; R37-D40 IonicContact CZ-OD1 2.66Å; R37-D40 VanDerWaalsContact CZ-OD1 3.24Å; R37-D40 IonicContact CZ-OD2 3.87Å; R37-D40 PolarHBondContact N-OD2 3.05Å; R37-D40 VanDerWaalsContact N-OD2 3.16Å; R37-D40 VanDerWaalsContact NE-CG 3.26Å; R37-D40 IonicContact NE-OD1 2.78Å; R37-D40 PolarHBondContact NE-OD1 2.81Å; R37-D40 IonicContact NE-OD2 3.14Å; R37-D40 PolarHBondContact NE-OD2 3.13Å; R37-D40 IonicContact NH2-OD1 2.88Å; R37-D40 PolarHBondContact NH2-OD1 3.12Å; R37-D40 IonicContact NH2-OD2 2.74Å; R37-D40 PolarHBondContact O-N 3.49Å
41	P	83.3	Confident	86.9	Confident	49 Å²	49	51.7 Å²	51.7	32%	0.318	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-63.5	141.9	172.9	29	-34.8	0	0	0	110.1	I26	I26-P41 HydrophobicContact CB-CB 3.95Å; I26-P41 HydrophobicContact CD1-CB 3.6Å; I26-P41 HydrophobicContact CG1-CB 4.39Å; I26-P41 HydrophobicContact CG2-CB 3.67Å; I26-P41 HydrophobicContact CG2-CG 4.2Å
42	S	89.1	Confident	87.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.014	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-70.8	142.9	175.5	70.3	0	0	0	0	111	R21 I22 H24 C25 I26 V34	R21-S42 WeakPolarHBondContact O-CB 3.35Å; R21-S42 PolarHBondContact O-N 3.22Å; R21-S42 PolarHBondContact O-OG 3.32Å; I22-S42 PolarHBondContact O-OG 3.32Å; H24-S42 PolarHBondContact O-OG 3.26Å; C25-S42 WeakPolarHBondContact CA-O 3.18Å; I26-S42 PolarHBondContact N-O 2.77Å; V34-S42 WeakPolarHBondContact O-CA 3.42Å
43	L	92.8	Very high	87.9	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-132.1	144.7	-179.9	-67.9	170.1	0	0	0	110	I26 K27 A33 V34 C47 F48	I26-L43 HydrophobicContact CG2-CD2 3.75Å; K27-L43 HydrophobicContact CB-CD2 4.47Å; K27-L43 HydrophobicContact CD-CD2 4.15Å; K27-L43 HydrophobicContact CG-CD2 3.91Å; A33-L43 PolarHBondContact N-O 2.88Å; V34-L43 PolarHBondContact N-O 3.3Å; V34-L43 PolarHBondContact O-N 2.87Å; V34-L43 VanDerWaalsContact O-N 3.13Å; L43-C47 HydrophobicContact CD2-CB 4.06Å; L43-F48 HydrophobicContact CB-CB 4.13Å; L43-F48 HydrophobicContact CD1-CB 4.4Å; L43-F48 HydrophobicContact CD1-CD2 4.48Å
44	C	93.7	Very high	88.5	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.054	24%	0.243	C	C	.	.			trans	-76.1	167.4	164.9	74	0	0	0	0	110.5	C25 S30 P31 S46 C47 F48	C25-C44 HydrophobicContact CB-CB 3.9Å; C25-C44 PolarHBondContact SG-N 2.77Å; S30-C44 WeakPolarHBondContact OG-CB 3.26Å; S30-C44 PolarHBondContact OG-SG 2.82Å; P31-C44 WeakPolarHBondContact O-CB 3.27Å; C44-S46 PolarHBondContact O-N 3.41Å; C44-S46 PolarHBondContact SG-OG 3.33Å; C44-C47 PolarHBondContact O-N 3.26Å; C44-C47 VanDerWaalsContact SG-SG 3.64Å; C44-F48 WeakPolarHBondContact O-CB 3.47Å; C44-F48 PolarHBondContact O-N 2.9Å
45	K	93.9	Very high	89	Confident	84 Å²	84	50.5 Å²	50.5	37%	0.365	25%	0.251	S	S	.	.	H	α-helix	trans	-51	-50.8	-178.1	-178.3	177.8	180	-179.7	0	112.8	F48 I49 F246	K45-F48 PolarHBondContact O-N 3.4Å; K45-I49 HydrophobicContact CG-CD1 4.05Å; K45-I49 VanDerWaalsContact O-CG1 3.28Å; K45-I49 WeakPolarHBondContact O-CG1 3.31Å; K45-I49 PolarHBondContact O-N 3.36Å; K45-F246 HydrophobicContact CD-CB 4.25Å; K45-F246 HydrophobicContact CD-CD1 3.89Å; K45-F246 HydrophobicContact CD-CG 4.2Å; K45-F246 WeakPolarHBondContact CE-O 3.17Å; K45-F246 HydrophobicContact CG-CB 3.93Å; K45-F246 HydrophobicContact CG-CD1 3.8Å; K45-F246 HydrophobicContact CG-CD2 4.26Å; K45-F246 HydrophobicContact CG-CE1 4.4Å; K45-F246 HydrophobicContact CG-CG 3.74Å; K45-F246 PolarHBondContact NZ-O 3.38Å
46	S	94	Very high	89.5	Confident	67 Å²	67	47.5 Å²	47.5	47%	0.469	24%	0.236	S	C	.	.	H	α-helix	trans	-67.6	-43.1	-176.5	57.5	0	0	0	0	112.6	C44 F48 I49 N50	C44-S46 PolarHBondContact O-N 3.41Å; C44-S46 PolarHBondContact SG-OG 3.33Å; S46-F48 VanDerWaalsContact C-N 3.34Å; S46-F48 PolarHBondContact O-N 2.85Å; S46-I49 PolarHBondContact O-N 3.5Å; S46-N50 WeakPolarHBondContact O-CB 3.41Å; S46-N50 PolarHBondContact O-N 3.32Å; S46-N50 PolarHBondContact O-ND2 3.47Å
47	C	94.7	Very high	89.9	Confident	14 Å²	14	49.3 Å²	49.3	10%	0.095	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-34.6	178.5	-73.8	0	0	0	0	112.9	C25 K27 C28 L43 C44 Q51	C25-C47 VanDerWaalsContact SG-SG 3.69Å; K27-C47 HydrophobicContact CB-CB 4.16Å; K27-C47 HydrophobicContact CD-CB 4.12Å; C28-C47 PolarHBondContact SG-SG 2.75Å; L43-C47 HydrophobicContact CD2-CB 4.06Å; C44-C47 PolarHBondContact O-N 3.26Å; C44-C47 VanDerWaalsContact SG-SG 3.64Å; C47-Q51 WeakPolarHBondContact O-CB 3.17Å; C47-Q51 PolarHBondContact O-N 2.8Å
48	F	95	Very high	90.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-47.9	172.4	172.8	-101.6	0	0	0	111.5	V34 I36 L43 C44 K45 S46 N50 Q51 C52 E239 L242 F243 F246	V34-F48 HydrophobicContact CB-CB 4.44Å; V34-F48 HydrophobicContact CB-CD2 4.48Å; V34-F48 HydrophobicContact CB-CG 4.4Å; V34-F48 HydrophobicContact CG1-CD2 3.85Å; V34-F48 HydrophobicContact CG1-CE2 4.16Å; V34-F48 HydrophobicContact CG1-CG 4.17Å; V34-F48 HydrophobicContact CG2-CB 4.02Å; V34-F48 HydrophobicContact CG2-CD1 4.26Å; V34-F48 HydrophobicContact CG2-CG 4Å; I36-F48 HydrophobicContact CD1-CD2 4.31Å; I36-F48 HydrophobicContact CD1-CE2 3.82Å; I36-F48 HydrophobicContact CG1-CE2 4.14Å; L43-F48 HydrophobicContact CB-CB 4.13Å; L43-F48 HydrophobicContact CD1-CB 4.4Å; L43-F48 HydrophobicContact CD1-CD2 4.48Å; C44-F48 WeakPolarHBondContact O-CB 3.47Å; C44-F48 PolarHBondContact O-N 2.9Å; K45-F48 PolarHBondContact O-N 3.4Å; S46-F48 VanDerWaalsContact C-N 3.34Å; S46-F48 PolarHBondContact O-N 2.85Å; F48-N50 VanDerWaalsContact C-N 3.31Å; F48-N50 PolarHBondContact O-N 3.31Å; F48-Q51 WeakPolarHBondContact O-CA 3.48Å; F48-Q51 VanDerWaalsContact O-CB 3.31Å; F48-Q51 WeakPolarHBondContact O-CB 3.48Å; F48-Q51 PolarHBondContact O-N 3.16Å; F48-C52 PolarHBondContact O-N 3.18Å; F48-E239 HydrophobicContact CE2-CG 4.44Å; F48-E239 HydrophobicContact CZ-CB 4.37Å; F48-L242 HydrophobicContact CE1-CB 3.77Å; F48-L242 HydrophobicContact CZ-CB 3.9Å; F48-F243 HydrophobicContact CE1-CB 4.12Å; F48-F246 AromaticContact CD1-CD2 3.63Å; F48-F246 HydrophobicContact CD1-CD2 3.63Å; F48-F246 AromaticContact CD1-CE2 3.74Å; F48-F246 HydrophobicContact CD1-CE2 3.74Å; F48-F246 AromaticContact CE1-CD2 3.92Å; F48-F246 HydrophobicContact CE1-CD2 3.92Å; F48-F246 HydrophobicContact CE1-CE2 4.05Å
49	I	94.2	Very high	91.4	Very high	21 Å²	21	42 Å²	42	11%	0.108	22%	0.223	C	C	.	.	H	α-helix	trans	-55	-47.8	174.8	-71.6	167	0	0	0	110.9	K45 S46 Q51 C52 Y53 F243 F246 I247	K45-I49 HydrophobicContact CG-CD1 4.05Å; K45-I49 VanDerWaalsContact O-CG1 3.28Å; K45-I49 WeakPolarHBondContact O-CG1 3.31Å; K45-I49 PolarHBondContact O-N 3.36Å; S46-I49 PolarHBondContact O-N 3.5Å; I49-Q51 VanDerWaalsContact C-N 3.29Å; I49-Q51 PolarHBondContact O-N 2.67Å; I49-C52 WeakPolarHBondContact O-CB 3.23Å; I49-C52 PolarHBondContact O-N 3.03Å; I49-Y53 HydrophobicContact CG2-CD2 3.8Å; I49-Y53 HydrophobicContact CG2-CE2 3.32Å; I49-Y53 WeakPolarHBondContact O-CD2 3.47Å; I49-Y53 PolarHBondContact O-N 2.95Å; I49-Y53 VanDerWaalsContact O-N 3.13Å; I49-F243 HydrophobicContact CG2-CE2 4.21Å; I49-F246 HydrophobicContact CD1-CB 4.02Å; I49-F246 HydrophobicContact CG1-CB 4.25Å; I49-I247 HydrophobicContact CD1-CG2 3.94Å; I49-I247 HydrophobicContact CG1-CG2 4.18Å; I49-I247 HydrophobicContact CG2-CG2 4.49Å
50	N	93.1	Very high	92.3	Very high	92 Å²	92	37 Å²	37	49%	0.492	20%	0.196	S	C	.	.	H	α-helix	trans	-64.8	-32.4	177.9	-71.1	-18.5	0	0	0	112.6	S46 F48 Y53 H54	S46-N50 WeakPolarHBondContact O-CB 3.41Å; S46-N50 PolarHBondContact O-N 3.32Å; S46-N50 PolarHBondContact O-ND2 3.47Å; F48-N50 VanDerWaalsContact C-N 3.31Å; F48-N50 PolarHBondContact O-N 3.31Å; N50-Y53 PolarHBondContact O-N 2.93Å; N50-H54 WeakPolarHBondContact O-CB 3.28Å; N50-H54 PolarHBondContact O-N 3.4Å
51	Q	93.5	Very high	92.8	Very high	61 Å²	61	38 Å²	38	29%	0.285	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-42.4	172.8	-174.9	-174.4	31.5	0	0	111.4	C47 F48 I49 Y53 H54 K55	C47-Q51 WeakPolarHBondContact O-CB 3.17Å; C47-Q51 PolarHBondContact O-N 2.8Å; F48-Q51 WeakPolarHBondContact O-CA 3.48Å; F48-Q51 VanDerWaalsContact O-CB 3.31Å; F48-Q51 WeakPolarHBondContact O-CB 3.48Å; F48-Q51 PolarHBondContact O-N 3.16Å; I49-Q51 VanDerWaalsContact C-N 3.29Å; I49-Q51 PolarHBondContact O-N 2.67Å; Q51-Y53 PolarHBondContact O-N 3.05Å; Q51-H54 PolarHBondContact O-N 2.99Å; Q51-K55 VanDerWaalsContact O-CB 3.27Å; Q51-K55 WeakPolarHBondContact O-CB 3.35Å; Q51-K55 PolarHBondContact O-N 3.48Å
52	C	95	Very high	93.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-43.6	175.8	-66.9	0	0	0	0	111.8	F48 I49 K55 I56 L88 F235 F243	F48-C52 PolarHBondContact O-N 3.18Å; I49-C52 WeakPolarHBondContact O-CB 3.23Å; I49-C52 PolarHBondContact O-N 3.03Å; C52-K55 PolarHBondContact O-N 3.48Å; C52-I56 PolarHBondContact O-N 3.2Å; C52-L88 HydrophobicContact CB-CD2 4.13Å; C52-F235 HydrophobicContact CB-CE1 4.1Å; C52-F243 HydrophobicContact CB-CD2 3.55Å; C52-F243 HydrophobicContact CB-CE2 3.81Å; C52-F243 HydrophobicContact CB-CG 4.4Å
53	Y	93.9	Very high	93.4	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.082	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.1	-70.1	-58.1	0	0	0	112.6	I49 N50 Q51 K55 I56 N57 L88 K91 F243	I49-Y53 HydrophobicContact CG2-CD2 3.8Å; I49-Y53 HydrophobicContact CG2-CE2 3.32Å; I49-Y53 WeakPolarHBondContact O-CD2 3.47Å; I49-Y53 PolarHBondContact O-N 2.95Å; I49-Y53 VanDerWaalsContact O-N 3.13Å; N50-Y53 PolarHBondContact O-N 2.93Å; Q51-Y53 PolarHBondContact O-N 3.05Å; Y53-K55 VanDerWaalsContact C-N 3.3Å; Y53-K55 PolarHBondContact O-N 2.96Å; Y53-I56 WeakPolarHBondContact O-CG2 3.2Å; Y53-I56 PolarHBondContact O-N 3.35Å; Y53-N57 WeakPolarHBondContact O-CB 3.31Å; Y53-N57 PolarHBondContact O-N 2.86Å; Y53-N57 PolarHBondContact O-OD1 3.38Å; Y53-L88 HydrophobicContact CD1-CD2 3.81Å; Y53-L88 HydrophobicContact CE1-CD2 3.79Å; Y53-K91 HydrophobicContact CD1-CB 4.09Å; Y53-K91 HydrophobicContact CD1-CD 4.16Å; Y53-K91 HydrophobicContact CD2-CD 4.01Å; Y53-K91 HydrophobicContact CE1-CB 3.4Å; Y53-K91 VanDerWaalsContact CE1-CB 3.4Å; Y53-K91 HydrophobicContact CE1-CD 3.51Å; Y53-K91 HydrophobicContact CE1-CG 4.05Å; Y53-K91 HydrophobicContact CE2-CD 3.31Å; Y53-K91 VanDerWaalsContact CE2-NZ 3.28Å; Y53-K91 HydrophobicContact CG-CD 4.42Å; Y53-K91 WeakPolarHBondContact OH-CD 3.31Å; Y53-F243 HydrophobicContact CE1-CE2 4.3Å; Y53-F243 AromaticContact CE1-CZ 3.94Å; Y53-F243 HydrophobicContact CE1-CZ 3.94Å; Y53-F243 AromaticContact CE2-CE2 3.99Å; Y53-F243 HydrophobicContact CE2-CE2 3.99Å; Y53-F243 HydrophobicContact CE2-CZ 4.26Å; Y53-F243 AromaticContact CZ-CE2 3.79Å; Y53-F243 AromaticContact CZ-CZ 3.59Å; Y53-F243 WeakPolarHBondContact OH-CZ 3.2Å
54	H	92.9	Very high	93.4	Very high	128 Å²	128	52.6 Å²	52.6	59%	0.593	27%	0.269	S	S	*	.	H	α-helix	trans	-60.4	-41.4	175.5	-178.9	-75.7	0	0	0	112.1	N50 Q51 N57 T58	N50-H54 WeakPolarHBondContact O-CB 3.28Å; N50-H54 PolarHBondContact O-N 3.4Å; Q51-H54 PolarHBondContact O-N 2.99Å; H54-N57 PolarHBondContact O-N 3.34Å; H54-T58 PolarHBondContact CE1-OG1 3.15Å; H54-T58 VanDerWaalsContact CE1-OG1 3.26Å; H54-T58 PolarHBondContact ND1-OG1 3.19Å; H54-T58 WeakPolarHBondContact O-CB 3.39Å; H54-T58 PolarHBondContact O-N 2.97Å; H54-T58 PolarHBondContact O-OG1 3.25Å
55	K	94.6	Very high	93.2	Very high	50 Å²	50	52.3 Å²	52.3	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-47.5	-179.2	-175	173.4	178.2	178.1	0	111.3	Q51 C52 Y53 N57 T58 I59 D234 F235 E239	Q51-K55 VanDerWaalsContact O-CB 3.27Å; Q51-K55 WeakPolarHBondContact O-CB 3.35Å; Q51-K55 PolarHBondContact O-N 3.48Å; C52-K55 PolarHBondContact O-N 3.48Å; Y53-K55 VanDerWaalsContact C-N 3.3Å; Y53-K55 PolarHBondContact O-N 2.96Å; K55-N57 PolarHBondContact O-N 3.36Å; K55-T58 PolarHBondContact O-N 3.36Å; K55-I59 HydrophobicContact CG-CD1 4.33Å; K55-I59 VanDerWaalsContact O-CG1 3.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.32Å; K55-I59 PolarHBondContact O-N 3.23Å; K55-D234 WeakPolarHBondContact CE-O 3.42Å; K55-D234 PolarHBondContact NZ-O 3.22Å; K55-F235 HydrophobicContact CB-CE1 4.37Å; K55-F235 HydrophobicContact CB-CE2 4.42Å; K55-F235 HydrophobicContact CB-CZ 3.81Å; K55-F235 HydrophobicContact CD-CD1 4.16Å; K55-F235 HydrophobicContact CD-CD2 4.33Å; K55-F235 HydrophobicContact CD-CE1 3.81Å; K55-F235 HydrophobicContact CD-CE2 4.01Å; K55-F235 HydrophobicContact CD-CG 4.42Å; K55-F235 HydrophobicContact CD-CZ 3.74Å; K55-F235 HydrophobicContact CG-CE1 4.27Å; K55-F235 HydrophobicContact CG-CE2 3.86Å; K55-F235 HydrophobicContact CG-CZ 3.69Å; K55-E239 VanDerWaalsContact NZ-CD 3.29Å; K55-E239 IonicContact NZ-OE1 3.68Å; K55-E239 PolarHBondContact NZ-OE1 3.04Å; K55-E239 IonicContact NZ-OE2 2.81Å; K55-E239 PolarHBondContact NZ-OE2 2.85Å
56	I	94.4	Very high	92.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-40.3	177	-166	66.4	0	0	0	111.5	C52 Y53 T58 I59 F60 L88 P231 L232 F235	C52-I56 PolarHBondContact O-N 3.2Å; Y53-I56 WeakPolarHBondContact O-CG2 3.2Å; Y53-I56 PolarHBondContact O-N 3.35Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 3.47Å; I56-I59 WeakPolarHBondContact O-CB 2.85Å; I56-I59 PolarHBondContact O-N 3.31Å; I56-I59 VanDerWaalsContact O-N 3.12Å; I56-F60 HydrophobicContact CD1-CD2 4.04Å; I56-F60 HydrophobicContact CD1-CE2 3.76Å; I56-F60 HydrophobicContact CG1-CD2 3.88Å; I56-F60 HydrophobicContact CG1-CE2 3.75Å; I56-F60 WeakPolarHBondContact O-CD2 3.23Å; I56-F60 PolarHBondContact O-N 3Å; I56-L88 HydrophobicContact CB-CB 4.44Å; I56-L88 HydrophobicContact CG1-CB 4.22Å; I56-L88 HydrophobicContact CG2-CB 4.14Å; I56-L88 HydrophobicContact CG2-CD2 4.1Å; I56-P231 HydrophobicContact CD1-CB 3.63Å; I56-L232 HydrophobicContact CD1-CD2 4.5Å; I56-F235 HydrophobicContact CB-CE2 4.42Å; I56-F235 HydrophobicContact CB-CZ 4.2Å; I56-F235 HydrophobicContact CD1-CE2 4.21Å
57	N	90.9	Very high	92.4	Very high	56 Å²	56	52.2 Å²	52.2	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-38.4	178.1	-67.2	4.2	0	0	0	112.1	Y53 H54 K55 I59 F60 G61 D92	Y53-N57 WeakPolarHBondContact O-CB 3.31Å; Y53-N57 PolarHBondContact O-N 2.86Å; Y53-N57 PolarHBondContact O-OD1 3.38Å; H54-N57 PolarHBondContact O-N 3.34Å; K55-N57 PolarHBondContact O-N 3.36Å; N57-I59 VanDerWaalsContact C-N 3.3Å; N57-I59 PolarHBondContact O-N 3.28Å; N57-F60 PolarHBondContact O-N 3.12Å; N57-G61 PolarHBondContact O-N 3.07Å; N57-D92 PolarHBondContact ND2-OD1 3.48Å; N57-D92 PolarHBondContact OD1-OD1 2.88Å; N57-D92 VanDerWaalsContact OD1-OD1 3.07Å; N57-D92 PolarHBondContact OD1-OD2 2.88Å
58	T	93.4	Very high	92.2	Very high	76 Å²	76	53.2 Å²	53.2	47%	0.466	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-41.1	174	-56.7	0	0	0	0	110.8	H54 K55 I56 G61 K62	H54-T58 PolarHBondContact CE1-OG1 3.15Å; H54-T58 VanDerWaalsContact CE1-OG1 3.26Å; H54-T58 PolarHBondContact ND1-OG1 3.19Å; H54-T58 WeakPolarHBondContact O-CB 3.39Å; H54-T58 PolarHBondContact O-N 2.97Å; H54-T58 PolarHBondContact O-OG1 3.25Å; K55-T58 PolarHBondContact O-N 3.36Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 3.47Å; T58-G61 PolarHBondContact O-N 3.41Å; T58-K62 VanDerWaalsContact O-CB 3.23Å; T58-K62 WeakPolarHBondContact O-CB 3.44Å; T58-K62 PolarHBondContact O-N 3.49Å
59	I	93.7	Very high	92	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.036	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-48.2	176.3	-69.4	165.7	0	0	0	110.5	K55 I56 N57 G61 K62 Y63 F218 P231 D234 F235	K55-I59 HydrophobicContact CG-CD1 4.33Å; K55-I59 VanDerWaalsContact O-CG1 3.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.32Å; K55-I59 PolarHBondContact O-N 3.23Å; I56-I59 WeakPolarHBondContact O-CB 2.85Å; I56-I59 PolarHBondContact O-N 3.31Å; I56-I59 VanDerWaalsContact O-N 3.12Å; N57-I59 VanDerWaalsContact C-N 3.3Å; N57-I59 PolarHBondContact O-N 3.28Å; I59-G61 VanDerWaalsContact C-N 3.31Å; I59-G61 PolarHBondContact O-N 3.34Å; I59-K62 PolarHBondContact O-N 3.2Å; I59-Y63 HydrophobicContact CG2-CD2 4.01Å; I59-Y63 HydrophobicContact CG2-CE2 4.27Å; I59-Y63 VanDerWaalsContact O-CD2 3.31Å; I59-Y63 WeakPolarHBondContact O-CD2 3.05Å; I59-Y63 PolarHBondContact O-N 3.38Å; I59-F218 HydrophobicContact CG2-CE2 3.38Å; I59-F218 HydrophobicContact CG2-CZ 3.46Å; I59-F218 VanDerWaalsContact CG2-CZ 3.46Å; I59-P231 WeakPolarHBondContact CD1-O 3.31Å; I59-D234 HydrophobicContact CD1-CB 4.03Å; I59-F235 HydrophobicContact CD1-CD2 4.3Å; I59-F235 HydrophobicContact CD1-CE2 3.82Å
60	F	91.9	Very high	91.7	Very high	6 Å²	6	56 Å²	56	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-40.3	177.7	-89.2	-117.5	0	0	0	112.2	I56 N57 K64 L65 N66 I69 I89 M188 P231	I56-F60 HydrophobicContact CD1-CD2 4.04Å; I56-F60 HydrophobicContact CD1-CE2 3.76Å; I56-F60 HydrophobicContact CG1-CD2 3.88Å; I56-F60 HydrophobicContact CG1-CE2 3.75Å; I56-F60 WeakPolarHBondContact O-CD2 3.23Å; I56-F60 PolarHBondContact O-N 3Å; N57-F60 PolarHBondContact O-N 3.12Å; F60-K64 CarbonylContact O-C 3.52Å; F60-K64 WeakPolarHBondContact O-CA 3.3Å; F60-K64 PolarHBondContact O-N 2.7Å; F60-L65 HydrophobicContact CB-CB 4.38Å; F60-L65 HydrophobicContact CD1-CB 3.67Å; F60-L65 HydrophobicContact CD1-CD1 4.28Å; F60-L65 HydrophobicContact CD2-CD1 3.95Å; F60-L65 HydrophobicContact CE1-CB 4.07Å; F60-L65 HydrophobicContact CE1-CD1 4.34Å; F60-L65 HydrophobicContact CE2-CD1 4.02Å; F60-L65 HydrophobicContact CG-CB 4.02Å; F60-L65 HydrophobicContact CG-CD1 4.09Å; F60-L65 HydrophobicContact CZ-CD1 4.21Å; F60-L65 PolarHBondContact O-N 3.1Å; F60-N66 WeakPolarHBondContact CD1-OD1 3.42Å; F60-I69 HydrophobicContact CE1-CD1 4.13Å; F60-I89 HydrophobicContact CE1-CG1 4.5Å; F60-I89 HydrophobicContact CE2-CG1 4.16Å; F60-I89 HydrophobicContact CZ-CD1 3.85Å; F60-I89 HydrophobicContact CZ-CG1 3.62Å; F60-M188 HydrophobicContact CE1-CE 4.15Å; F60-M188 HydrophobicContact CE2-CE 4.19Å; F60-M188 HydrophobicContact CZ-CE 3.45Å; F60-M188 VanDerWaalsContact CZ-CE 3.45Å; F60-P231 HydrophobicContact CE2-CB 4Å; F60-P231 HydrophobicContact CE2-CG 4.24Å
61	G	91	Very high	91.7	Very high	47 Å²	47	53.6 Å²	53.6	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-48.3	174	0	0	0	0	0	112.9	N57 T58 I59 Y63 K64	N57-G61 PolarHBondContact O-N 3.07Å; T58-G61 PolarHBondContact O-N 3.41Å; I59-G61 VanDerWaalsContact C-N 3.31Å; I59-G61 PolarHBondContact O-N 3.34Å; G61-Y63 VanDerWaalsContact C-N 3.32Å; G61-Y63 PolarHBondContact O-N 3.02Å; G61-K64 PolarHBondContact O-N 3.44Å
62	K	92.9	Very high	91.8	Very high	142 Å²	142	50.7 Å²	50.7	62%	0.617	26%	0.264	S	S	*	.	H	α-helix	trans	-57.1	-43.5	-179.3	-178.8	-175.7	176.1	-166.1	0	112.3	T58 I59	T58-K62 VanDerWaalsContact O-CB 3.23Å; T58-K62 WeakPolarHBondContact O-CB 3.44Å; T58-K62 PolarHBondContact O-N 3.49Å; I59-K62 PolarHBondContact O-N 3.2Å
63	Y	92.6	Very high	91.9	Very high	63 Å²	63	50.6 Å²	50.6	25%	0.247	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	11.3	-178.4	-60.4	-77.9	0	0	0	113.5	I59 G61 L65 F218	I59-Y63 HydrophobicContact CG2-CD2 4.01Å; I59-Y63 HydrophobicContact CG2-CE2 4.27Å; I59-Y63 VanDerWaalsContact O-CD2 3.31Å; I59-Y63 WeakPolarHBondContact O-CD2 3.05Å; I59-Y63 PolarHBondContact O-N 3.38Å; G61-Y63 VanDerWaalsContact C-N 3.32Å; G61-Y63 PolarHBondContact O-N 3.02Å; Y63-L65 PolarHBondContact O-N 3.07Å; Y63-L65 VanDerWaalsContact O-N 3.12Å; Y63-F218 AromaticContact CD1-CD1 3.61Å; Y63-F218 HydrophobicContact CD1-CD1 3.61Å; Y63-F218 AromaticContact CD1-CE1 3.9Å; Y63-F218 HydrophobicContact CD1-CE1 3.9Å; Y63-F218 HydrophobicContact CD1-CG 4.27Å; Y63-F218 AromaticContact CD2-CD1 3.59Å; Y63-F218 HydrophobicContact CD2-CD1 3.59Å; Y63-F218 HydrophobicContact CD2-CD2 4.07Å; Y63-F218 AromaticContact CD2-CE1 3.27Å; Y63-F218 HydrophobicContact CD2-CE1 3.27Å; Y63-F218 AromaticContact CD2-CE2 3.76Å; Y63-F218 HydrophobicContact CD2-CE2 3.76Å; Y63-F218 AromaticContact CD2-CG 4Å; Y63-F218 HydrophobicContact CD2-CG 4Å; Y63-F218 AromaticContact CD2-CZ 3.35Å; Y63-F218 HydrophobicContact CD2-CZ 3.35Å; Y63-F218 HydrophobicContact CE1-CB 4.11Å; Y63-F218 AromaticContact CE1-CD1 3.73Å; Y63-F218 HydrophobicContact CE1-CD1 3.73Å; Y63-F218 HydrophobicContact CE1-CE1 4.37Å; Y63-F218 AromaticContact CE1-CG 3.92Å; Y63-F218 HydrophobicContact CE1-CG 3.92Å; Y63-F218 HydrophobicContact CE2-CB 4.39Å; Y63-F218 AromaticContact CE2-CD1 3.69Å; Y63-F218 HydrophobicContact CE2-CD1 3.69Å; Y63-F218 AromaticContact CE2-CD2 3.57Å; Y63-F218 HydrophobicContact CE2-CD2 3.57Å; Y63-F218 AromaticContact CE2-CE1 3.79Å; Y63-F218 HydrophobicContact CE2-CE1 3.79Å; Y63-F218 AromaticContact CE2-CE2 3.63Å; Y63-F218 HydrophobicContact CE2-CE2 3.63Å; Y63-F218 AromaticContact CE2-CG 3.6Å; Y63-F218 HydrophobicContact CE2-CG 3.6Å; Y63-F218 AromaticContact CE2-CZ 3.75Å; Y63-F218 HydrophobicContact CE2-CZ 3.75Å; Y63-F218 AromaticContact CG-CD1 3.55Å; Y63-F218 HydrophobicContact CG-CD1 3.55Å; Y63-F218 AromaticContact CG-CE1 3.33Å; Y63-F218 HydrophobicContact CG-CE1 3.33Å; Y63-F218 HydrophobicContact CG-CG 4.31Å; Y63-F218 AromaticContact CG-CZ 3.92Å; Y63-F218 HydrophobicContact CG-CZ 3.92Å; Y63-F218 AromaticContact CZ-CD1 3.76Å; Y63-F218 AromaticContact CZ-CD2 3.93Å; Y63-F218 AromaticContact CZ-CG 3.56Å
64	K	91.5	Very high	92.1	Very high	159 Å²	159	49.6 Å²	49.6	69%	0.691	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	31.5	178.1	-57.8	-179.2	179.7	177.5	0	114.6	F60 G61 N66 S67	F60-K64 CarbonylContact O-C 3.52Å; F60-K64 WeakPolarHBondContact O-CA 3.3Å; F60-K64 PolarHBondContact O-N 2.7Å; G61-K64 PolarHBondContact O-N 3.44Å; K64-N66 PolarHBondContact O-N 3.05Å; K64-N66 VanDerWaalsContact O-N 3.17Å; K64-S67 PolarHBondContact O-N 3.04Å; K64-S67 VanDerWaalsContact O-N 3.14Å; K64-S67 PolarHBondContact O-OG 3.17Å
65	L	90.8	Very high	92.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.5	-28.2	-173.6	-61.6	-173.3	0	0	0	113.3	F60 Y63 S67 I68 I69 M188 F218 V229 P231	F60-L65 HydrophobicContact CB-CB 4.38Å; F60-L65 HydrophobicContact CD1-CB 3.67Å; F60-L65 HydrophobicContact CD1-CD1 4.28Å; F60-L65 HydrophobicContact CD2-CD1 3.95Å; F60-L65 HydrophobicContact CE1-CB 4.07Å; F60-L65 HydrophobicContact CE1-CD1 4.34Å; F60-L65 HydrophobicContact CE2-CD1 4.02Å; F60-L65 HydrophobicContact CG-CB 4.02Å; F60-L65 HydrophobicContact CG-CD1 4.09Å; F60-L65 HydrophobicContact CZ-CD1 4.21Å; F60-L65 PolarHBondContact O-N 3.1Å; Y63-L65 PolarHBondContact O-N 3.07Å; Y63-L65 VanDerWaalsContact O-N 3.12Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-S67 VanDerWaalsContact O-N 3.13Å; L65-I68 HydrophobicContact CD2-CD1 3.97Å; L65-I68 VanDerWaalsContact O-CG1 3.31Å; L65-I68 WeakPolarHBondContact O-CG1 3.01Å; L65-I68 PolarHBondContact O-N 3.17Å; L65-I68 VanDerWaalsContact O-N 3.1Å; L65-I69 PolarHBondContact O-N 2.96Å; L65-I69 VanDerWaalsContact O-N 3.09Å; L65-M188 HydrophobicContact CD1-CE 4.39Å; L65-F218 HydrophobicContact CD1-CE1 4.22Å; L65-F218 HydrophobicContact CD1-CZ 3.95Å; L65-F218 HydrophobicContact CD2-CE1 4.33Å; L65-V229 HydrophobicContact CD1-CG1 3.9Å; L65-V229 HydrophobicContact CD2-CG1 3.88Å; L65-P231 HydrophobicContact CD1-CG 4.44Å
66	N	85.5	Confident	92.5	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.353	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.9	-27.6	177.7	-67.6	-16.4	0	0	0	113.5	F60 K64 I98 N105	F60-N66 WeakPolarHBondContact CD1-OD1 3.42Å; K64-N66 PolarHBondContact O-N 3.05Å; K64-N66 VanDerWaalsContact O-N 3.17Å; N66-I98 HydrophobicContact CB-CD1 4.42Å; N66-I98 WeakPolarHBondContact OD1-CD1 3.44Å; N66-N105 PolarHBondContact O-ND2 3.07Å
67	S	86.1	Confident	92.5	Very high	84 Å²	84	44.1 Å²	44.1	59%	0.587	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-79.5	-19.6	-179.1	64.9	0	0	0	0	114	K64 L65	K64-S67 PolarHBondContact O-N 3.04Å; K64-S67 VanDerWaalsContact O-N 3.14Å; K64-S67 PolarHBondContact O-OG 3.17Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-S67 VanDerWaalsContact O-N 3.13Å
68	I	90.5	Very high	92.7	Very high	34 Å²	34	41.5 Å²	41.5	17%	0.174	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	2	-174.6	58.1	166.3	0	0	0	113	L65 N70 N71 Y186	L65-I68 HydrophobicContact CD2-CD1 3.97Å; L65-I68 VanDerWaalsContact O-CG1 3.31Å; L65-I68 WeakPolarHBondContact O-CG1 3.01Å; L65-I68 PolarHBondContact O-N 3.17Å; L65-I68 VanDerWaalsContact O-N 3.1Å; I68-N70 VanDerWaalsContact C-N 3.3Å; I68-N70 PolarHBondContact O-N 3.05Å; I68-N71 PolarHBondContact O-N 2.84Å; I68-Y186 HydrophobicContact CB-CD2 4.11Å; I68-Y186 HydrophobicContact CB-CE2 3.73Å; I68-Y186 HydrophobicContact CD1-CD1 3.73Å; I68-Y186 HydrophobicContact CD1-CD2 4Å; I68-Y186 HydrophobicContact CD1-CE1 3.53Å; I68-Y186 HydrophobicContact CD1-CE2 3.82Å; I68-Y186 HydrophobicContact CD1-CG 3.96Å; I68-Y186 HydrophobicContact CG1-CE2 4.34Å; I68-Y186 HydrophobicContact CG2-CE2 3.95Å
69	I	89.2	Confident	92.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-64.4	-30.4	-170.7	-163.1	177.7	0	0	0	113.1	F60 L65 N71 M72 I89 I98 N105 P107	F60-I69 HydrophobicContact CE1-CD1 4.13Å; L65-I69 PolarHBondContact O-N 2.96Å; L65-I69 VanDerWaalsContact O-N 3.09Å; I69-N71 PolarHBondContact O-N 2.73Å; I69-M72 WeakPolarHBondContact O-CB 3.18Å; I69-M72 PolarHBondContact O-N 3.41Å; I69-I89 HydrophobicContact CD1-CG2 4.34Å; I69-I98 HydrophobicContact CD1-CD1 3.57Å; I69-I98 HydrophobicContact CG2-CD1 4.16Å; I69-I98 HydrophobicContact CG2-CG2 4.19Å; I69-N105 VanDerWaalsContact CG2-CG 3.49Å; I69-N105 WeakPolarHBondContact CG2-ND2 3.16Å; I69-N105 WeakPolarHBondContact CG2-O 3.24Å; I69-N105 VanDerWaalsContact CG2-OD1 3.27Å; I69-N105 WeakPolarHBondContact CG2-OD1 3.39Å; I69-P107 HydrophobicContact CD1-CG 4.26Å; I69-P107 HydrophobicContact CG1-CB 4.11Å; I69-P107 HydrophobicContact CG1-CG 4.02Å; I69-P107 VanDerWaalsContact O-CA 3.28Å; I69-P107 WeakPolarHBondContact O-CA 3.36Å; I69-P107 WeakPolarHBondContact O-CB 3.41Å
70	N	87.9	Confident	92.9	Very high	80 Å²	80	40 Å²	40	43%	0.428	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.5	-24.1	171.6	56.5	-4.4	0	0	0	114.3	I68 M72 N105	I68-N70 VanDerWaalsContact C-N 3.3Å; I68-N70 PolarHBondContact O-N 3.05Å; N70-M72 VanDerWaalsContact C-N 3.32Å; N70-N105 WeakPolarHBondContact CB-OD1 3.09Å; N70-N105 VanDerWaalsContact CG-OD1 3.32Å; N70-N105 PolarHBondContact N-OD1 3.4Å
71	N	93.6	Very high	93.1	Very high	41 Å²	41	40.7 Å²	40.7	22%	0.219	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-101.6	21.5	-176.6	-160.9	4.3	0	0	0	111.7	I68 I69 C184 K185 Y186	I68-N71 PolarHBondContact O-N 2.84Å; I69-N71 PolarHBondContact O-N 2.73Å; N71-C184 WeakPolarHBondContact O-CB 3.42Å; N71-C184 VanDerWaalsContact OD1-CA 3.3Å; N71-C184 WeakPolarHBondContact OD1-CA 3.05Å; N71-K185 WeakPolarHBondContact ND2-CB 3.14Å; N71-K185 WeakPolarHBondContact ND2-CD 3.43Å; N71-K185 VanDerWaalsContact ND2-CG 3.31Å; N71-K185 WeakPolarHBondContact ND2-CG 3.41Å; N71-K185 PolarHBondContact O-N 2.77Å; N71-K185 PolarHBondContact OD1-N 3.13Å; N71-Y186 HydrophobicContact CB-CD2 4.32Å; N71-Y186 PolarHBondContact O-N 3.01Å; N71-Y186 VanDerWaalsContact O-N 3.08Å
72	M	95.9	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.4	-173.2	-172.6	174.7	-95.3	0	0	111.2	I69 N70 P107 K108 Y186 M188 V229	I69-M72 WeakPolarHBondContact O-CB 3.18Å; I69-M72 PolarHBondContact O-N 3.41Å; N70-M72 VanDerWaalsContact C-N 3.32Å; M72-P107 HydrophobicContact CB-CB 4.34Å; M72-P107 WeakPolarHBondContact O-CA 3.13Å; M72-P107 WeakPolarHBondContact O-CB 3.25Å; M72-K108 PolarHBondContact O-N 3.44Å; M72-Y186 CarbonylContact C-O 3.08Å; M72-Y186 WeakPolarHBondContact CA-O 3.3Å; M72-M188 HydrophobicContact CE-CB 4.27Å; M72-M188 HydrophobicContact CE-CE 3.72Å; M72-M188 HydrophobicContact CG-CB 3.73Å; M72-M188 HydrophobicContact SD-CB 3.64Å; M72-M188 HydrophobicContact SD-CE 3.04Å; M72-M188 WeakPolarHBondContact SD-CE 3.01Å; M72-M188 HydrophobicContact SD-CG 4Å; M72-M188 HydrophobicContact SD-SD 3.72Å; M72-V229 HydrophobicContact CE-CB 3.87Å; M72-V229 HydrophobicContact CE-CG1 4.05Å; M72-V229 HydrophobicContact CE-CG2 3.67Å
73	A	97.3	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.7	170.6	0	0	0	0	0	109.2	K108 F110 T179 L182 C184 Y186 M188	A73-K108 CarbonylContact C-O 3.59Å; A73-K108 WeakPolarHBondContact CA-O 3.21Å; A73-F110 HydrophobicContact CB-CD1 3.84Å; A73-F110 HydrophobicContact CB-CE1 3.67Å; A73-T179 HydrophobicContact CB-CG2 3.98Å; A73-L182 HydrophobicContact CB-CD1 4.15Å; A73-C184 HydrophobicContact CB-CB 3.9Å; A73-Y186 PolarHBondContact N-O 3.42Å; A73-M188 PolarHBondContact O-N 3.39Å
74	I	97.8	Very high	93.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.6	175.7	-57.3	173.8	0	0	0	108.2	Y76 L86 I89 P107 K108 V109 F110 M188	I74-Y76 PolarHBondContact O-N 3.18Å; I74-L86 HydrophobicContact CD1-CD1 4.27Å; I74-I89 HydrophobicContact CD1-CD1 4.21Å; I74-P107 HydrophobicContact CD1-CB 3.92Å; I74-P107 HydrophobicContact CD1-CG 3.66Å; I74-P107 HydrophobicContact CG1-CB 4.09Å; I74-P107 HydrophobicContact CG1-CG 4.38Å; I74-K108 PolarHBondContact N-O 2.91Å; I74-V109 HydrophobicContact CB-CB 4.48Å; I74-V109 HydrophobicContact CB-CG2 4.29Å; I74-V109 HydrophobicContact CG2-CG2 4.45Å; I74-F110 WeakPolarHBondContact O-CD1 3.48Å; I74-F110 PolarHBondContact O-N 3.17Å; I74-M188 HydrophobicContact CD1-SD 4.41Å; I74-M188 HydrophobicContact CG1-CB 4.25Å; I74-M188 HydrophobicContact CG1-SD 4.04Å
75	A	97.8	Very high	94	Very high	12 Å²	12	21.5 Å²	21.5	10%	0.099	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.1	170.6	0	0	0	0	0	110.1	F110 L175 L187 M188	A75-F110 HydrophobicContact CB-CE1 4.14Å; A75-F110 HydrophobicContact CB-CE2 4.49Å; A75-F110 HydrophobicContact CB-CZ 3.87Å; A75-L175 HydrophobicContact CB-CD1 4.28Å; A75-L175 HydrophobicContact CB-CD2 4.02Å; A75-L187 HydrophobicContact CB-CD1 3.75Å; A75-M188 PolarHBondContact N-O 3.33Å
76	Y	97.5	Very high	94.2	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.012	13%	0.128	C	C	.	.			trans	-113.6	104	-174.8	-171.3	-109.6	0	0	0	111.1	I74 G78 S83 L86 V109 F110 H111 I125 I128 M129	I74-Y76 PolarHBondContact O-N 3.18Å; Y76-G78 VanDerWaalsContact C-N 3.34Å; Y76-S83 PolarHBondContact OH-OG 3.12Å; Y76-L86 HydrophobicContact CD2-CD2 3.77Å; Y76-L86 HydrophobicContact CE2-CB 4.4Å; Y76-L86 HydrophobicContact CE2-CD2 3.58Å; Y76-L86 HydrophobicContact CG-CD2 4.44Å; Y76-V109 HydrophobicContact CG-CG2 4.15Å; Y76-F110 PolarHBondContact N-O 3.04Å; Y76-H111 WeakPolarHBondContact O-CA 3.26Å; Y76-H111 WeakPolarHBondContact O-CB 3.38Å; Y76-H111 PolarHBondContact O-ND1 3.41Å; Y76-I125 HydrophobicContact CD1-CG2 3.88Å; Y76-I125 HydrophobicContact CE1-CG2 3.93Å; Y76-I128 HydrophobicContact CE1-CB 4.42Å; Y76-I128 HydrophobicContact CE1-CG2 4.36Å; Y76-I128 WeakPolarHBondContact OH-CG2 3.21Å; Y76-M129 HydrophobicContact CD1-CG 3.35Å; Y76-M129 HydrophobicContact CD1-SD 3.66Å; Y76-M129 HydrophobicContact CE1-CG 3.75Å; Y76-M129 HydrophobicContact CG-CG 4.09Å; Y76-M129 HydrophobicContact CG-SD 4.23Å
77	S	94.6	Very high	94.6	Very high	49 Å²	49	22.6 Å²	22.6	34%	0.343	13%	0.129	S	C	.	.			trans	-85.6	-4.8	176.6	61.1	0	0	0	0	113.9	G79 S82	S77-G79 PolarHBondContact O-N 2.79Å; S77-G79 VanDerWaalsContact O-N 3.16Å; S77-G79 PolarHBondContact OG-N 3.05Å; S77-S82 PolarHBondContact N-OG 3.42Å; S77-S82 PolarHBondContact OG-OG 3.25Å
78	G	94.5	Very high	95	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	76.3	-14.4	-169.7	0	0	0	0	0	115.7	Y76 S82 S83 Y251 V252	Y76-G78 VanDerWaalsContact C-N 3.34Å; G78-S82 PolarHBondContact N-OG 3.08Å; G78-S83 PolarHBondContact O-OG 2.72Å; G78-Y251 CarbonylContact O-C 3.18Å; G78-Y251 WeakPolarHBondContact O-CA 3.36Å; G78-Y251 VanDerWaalsContact O-CB 3.29Å; G78-Y251 WeakPolarHBondContact O-CB 3.29Å; G78-V252 PolarHBondContact O-N 2.97Å
79	G	94.9	Very high	94.9	Very high	5 Å²	5	17.3 Å²	17.3	5%	0.052	9%	0.094	C	C	.	.	S	Bend	trans	-73.4	166.5	-178.2	0	0	0	0	0	113.6	S77 N81 S82 S83	S77-G79 PolarHBondContact O-N 2.79Å; S77-G79 VanDerWaalsContact O-N 3.16Å; S77-G79 PolarHBondContact OG-N 3.05Å; G79-N81 VanDerWaalsContact C-N 3.3Å; G79-N81 PolarHBondContact O-N 3.41Å; G79-N81 VanDerWaalsContact O-N 3.09Å; G79-S82 PolarHBondContact N-OG 2.91Å; G79-S82 PolarHBondContact O-N 3.36Å; G79-S82 VanDerWaalsContact O-N 3.11Å; G79-S82 PolarHBondContact O-OG 3.13Å; G79-S83 PolarHBondContact O-N 3.03Å; G79-S83 PolarHBondContact O-OG 3.14Å; G79-S83 VanDerWaalsContact O-OG 3.11Å
80	Q	96.5	Very high	94.8	Very high	47 Å²	47	18.6 Å²	18.6	22%	0.22	10%	0.101	C	C	.	.	H	α-helix	trans	-48.2	-45.7	-174.2	-173.6	-177.8	85	0	0	114.4	T84 I240 A244 Y251	Q80-T84 WeakPolarHBondContact O-CB 3.37Å; Q80-T84 PolarHBondContact O-N 2.83Å; Q80-T84 PolarHBondContact O-OG1 2.9Å; Q80-I240 HydrophobicContact CG-CG2 4.17Å; Q80-A244 HydrophobicContact CG-CB 3.95Å; Q80-Y251 HydrophobicContact CB-CD1 4.23Å; Q80-Y251 HydrophobicContact CB-CD2 3.97Å; Q80-Y251 HydrophobicContact CB-CE1 4.23Å; Q80-Y251 HydrophobicContact CB-CE2 3.98Å; Q80-Y251 HydrophobicContact CB-CG 4.11Å; Q80-Y251 HydrophobicContact CG-CD1 4.23Å; Q80-Y251 HydrophobicContact CG-CE1 3.96Å; Q80-Y251 HydrophobicContact CG-CE2 4.48Å; Q80-Y251 PolarHBondContact NE2-OH 3.28Å; Q80-Y251 VanDerWaalsContact NE2-OH 3.08Å
81	N	96.9	Very high	94.1	Very high	20 Å²	20	19.2 Å²	19.2	11%	0.107	10%	0.1	C	C	.	.	H	α-helix	trans	-66.8	-46.2	-178.4	-78.1	31.1	0	0	0	113	G79 T84 L85 G190 L232	G79-N81 VanDerWaalsContact C-N 3.3Å; G79-N81 PolarHBondContact O-N 3.41Å; G79-N81 VanDerWaalsContact O-N 3.09Å; N81-T84 PolarHBondContact O-N 2.91Å; N81-L85 WeakPolarHBondContact O-CB 3.39Å; N81-L85 PolarHBondContact O-N 3.16Å; N81-G190 VanDerWaalsContact CB-O 3.25Å; N81-G190 WeakPolarHBondContact CB-O 3.27Å; N81-G190 PolarHBondContact ND2-O 3.26Å; N81-L232 HydrophobicContact CB-CD1 4.47Å; N81-L232 VanDerWaalsContact O-CD1 3.31Å; N81-L232 WeakPolarHBondContact O-CD1 3.28Å
82	S	96.7	Very high	92.4	Very high	5 Å²	5	19.3 Å²	19.3	4%	0.035	10%	0.1	C	C	.	.	H	α-helix	trans	-70.6	-37.2	-178.3	52.8	0	0	0	0	110.9	S77 G78 G79 L85 L86	S77-S82 PolarHBondContact N-OG 3.42Å; S77-S82 PolarHBondContact OG-OG 3.25Å; G78-S82 PolarHBondContact N-OG 3.08Å; G79-S82 PolarHBondContact N-OG 2.91Å; G79-S82 PolarHBondContact O-N 3.36Å; G79-S82 VanDerWaalsContact O-N 3.11Å; G79-S82 PolarHBondContact O-OG 3.13Å; S82-L85 PolarHBondContact O-N 3.13Å; S82-L86 VanDerWaalsContact O-CB 3.3Å; S82-L86 WeakPolarHBondContact O-CB 3.48Å; S82-L86 PolarHBondContact O-N 3.17Å
83	S	96.9	Very high	90.3	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-40.7	170.4	-51	0	0	0	0	112.6	Y76 G78 G79 L86 K87	Y76-S83 PolarHBondContact OH-OG 3.12Å; G78-S83 PolarHBondContact O-OG 2.72Å; G79-S83 PolarHBondContact O-N 3.03Å; G79-S83 PolarHBondContact O-OG 3.14Å; G79-S83 VanDerWaalsContact O-OG 3.11Å; S83-L86 PolarHBondContact O-N 2.99Å; S83-K87 WeakPolarHBondContact O-CB 3.44Å; S83-K87 PolarHBondContact O-N 2.96Å
84	T	97.1	Very high	88.1	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-45.4	177.1	-64.5	0	0	0	0	110.9	Q80 N81 K87 L88 I240 F243 L249	Q80-T84 WeakPolarHBondContact O-CB 3.37Å; Q80-T84 PolarHBondContact O-N 2.83Å; Q80-T84 PolarHBondContact O-OG1 2.9Å; N81-T84 PolarHBondContact O-N 2.91Å; T84-K87 PolarHBondContact O-N 3.2Å; T84-L88 HydrophobicContact CG2-CD1 3.76Å; T84-L88 HydrophobicContact CG2-CG 4.28Å; T84-L88 WeakPolarHBondContact O-CB 3.42Å; T84-L88 VanDerWaalsContact O-CG 3.27Å; T84-L88 WeakPolarHBondContact O-CG 3.31Å; T84-L88 PolarHBondContact O-N 3.29Å; T84-I240 HydrophobicContact CG2-CG1 4.49Å; T84-I240 HydrophobicContact CG2-CG2 4Å; T84-F243 HydrophobicContact CG2-CD1 3.57Å; T84-F243 HydrophobicContact CG2-CE1 3.97Å; T84-F243 HydrophobicContact CG2-CG 4.49Å; T84-L249 WeakPolarHBondContact OG1-CD2 3.41Å
85	L	96.6	Very high	85.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.9	-52.2	175.2	176.3	59.1	0	0	0	111	N81 S82 K87 L88 I89 M188 P231 L232	N81-L85 WeakPolarHBondContact O-CB 3.39Å; N81-L85 PolarHBondContact O-N 3.16Å; S82-L85 PolarHBondContact O-N 3.13Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.92Å; L85-L88 PolarHBondContact O-N 3.48Å; L85-I89 HydrophobicContact CD1-CD1 3.58Å; L85-I89 HydrophobicContact CD1-CG1 4.1Å; L85-I89 HydrophobicContact CG-CD1 3.83Å; L85-I89 VanDerWaalsContact O-CG1 3.3Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 2.74Å; L85-M188 HydrophobicContact CD1-SD 4.25Å; L85-M188 HydrophobicContact CD2-CG 3.97Å; L85-M188 HydrophobicContact CD2-SD 4.04Å; L85-M188 HydrophobicContact CG-SD 4.35Å; L85-P231 HydrophobicContact CD1-CB 3.79Å; L85-P231 HydrophobicContact CD1-CG 3.92Å; L85-L232 HydrophobicContact CB-CD1 3.85Å; L85-L232 HydrophobicContact CB-CD2 4.47Å; L85-L232 HydrophobicContact CB-CG 4.09Å; L85-L232 HydrophobicContact CD1-CD2 4.12Å; L85-L232 HydrophobicContact CD1-CG 4.07Å
86	L	94.9	Very high	83.4	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-45.8	179.7	-174.6	58.2	0	0	0	111.1	I74 Y76 S82 S83 I89 L90 V109 T132 L134	I74-L86 HydrophobicContact CD1-CD1 4.27Å; Y76-L86 HydrophobicContact CD2-CD2 3.77Å; Y76-L86 HydrophobicContact CE2-CB 4.4Å; Y76-L86 HydrophobicContact CE2-CD2 3.58Å; Y76-L86 HydrophobicContact CG-CD2 4.44Å; S82-L86 VanDerWaalsContact O-CB 3.3Å; S82-L86 WeakPolarHBondContact O-CB 3.48Å; S82-L86 PolarHBondContact O-N 3.17Å; S83-L86 PolarHBondContact O-N 2.99Å; L86-I89 PolarHBondContact O-N 3.42Å; L86-L90 HydrophobicContact CD1-CD1 4.16Å; L86-L90 HydrophobicContact CD1-CG 4.43Å; L86-L90 HydrophobicContact CG-CD1 4.03Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 VanDerWaalsContact O-CG 3.23Å; L86-L90 WeakPolarHBondContact O-CG 2.99Å; L86-L90 PolarHBondContact O-N 3.4Å; L86-V109 HydrophobicContact CD1-CG2 4.5Å; L86-T132 HydrophobicContact CD1-CG2 4.12Å; L86-T132 HydrophobicContact CD2-CG2 3.72Å; L86-T132 HydrophobicContact CG-CG2 3.98Å; L86-L134 HydrophobicContact CD1-CD1 4.16Å
87	K	94	Very high	81.2	Confident	86 Å²	86	36.5 Å²	36.5	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-68.1	-36.2	179	-173.2	55.4	171.9	-176.3	0	113.7	S83 T84 L85 K91 I247 L249	S83-K87 WeakPolarHBondContact O-CB 3.44Å; S83-K87 PolarHBondContact O-N 2.96Å; T84-K87 PolarHBondContact O-N 3.2Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.92Å; K87-K91 PolarHBondContact O-N 2.97Å; K87-K91 VanDerWaalsContact O-N 3.16Å; K87-I247 HydrophobicContact CB-CD1 4.46Å; K87-I247 HydrophobicContact CG-CD1 3.59Å; K87-L249 HydrophobicContact CB-CD1 4.07Å; K87-L249 HydrophobicContact CG-CD1 4.2Å
88	L	93.7	Very high	78.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-44.5	176	-79.5	169.5	0	0	0	111.1	C52 Y53 I56 T84 L85 D92 L232 F235 F243	C52-L88 HydrophobicContact CB-CD2 4.13Å; Y53-L88 HydrophobicContact CD1-CD2 3.81Å; Y53-L88 HydrophobicContact CE1-CD2 3.79Å; I56-L88 HydrophobicContact CB-CB 4.44Å; I56-L88 HydrophobicContact CG1-CB 4.22Å; I56-L88 HydrophobicContact CG2-CB 4.14Å; I56-L88 HydrophobicContact CG2-CD2 4.1Å; T84-L88 HydrophobicContact CG2-CD1 3.76Å; T84-L88 HydrophobicContact CG2-CG 4.28Å; T84-L88 WeakPolarHBondContact O-CB 3.42Å; T84-L88 VanDerWaalsContact O-CG 3.27Å; T84-L88 WeakPolarHBondContact O-CG 3.31Å; T84-L88 PolarHBondContact O-N 3.29Å; L85-L88 PolarHBondContact O-N 3.48Å; L88-D92 PolarHBondContact O-N 3.11Å; L88-L232 HydrophobicContact CD1-CD2 3.8Å; L88-F235 HydrophobicContact CD1-CE1 4.36Å; L88-F235 HydrophobicContact CD1-CZ 4.24Å; L88-F243 HydrophobicContact CD2-CE1 3.94Å; L88-F243 HydrophobicContact CD2-CE2 3.76Å; L88-F243 HydrophobicContact CD2-CZ 3.42Å; L88-F243 VanDerWaalsContact CD2-CZ 3.42Å; L88-F243 HydrophobicContact CG-CE1 3.91Å; L88-F243 HydrophobicContact CG-CZ 3.89Å
89	I	88.9	Confident	76.7	Confident	6 Å²	6	38 Å²	38	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-67.8	-43.6	178.8	-64.2	170.5	0	0	0	111.2	F60 I69 I74 L85 L86 K91 D92 N93 M188	F60-I89 HydrophobicContact CE1-CG1 4.5Å; F60-I89 HydrophobicContact CE2-CG1 4.16Å; F60-I89 HydrophobicContact CZ-CD1 3.85Å; F60-I89 HydrophobicContact CZ-CG1 3.62Å; I69-I89 HydrophobicContact CD1-CG2 4.34Å; I74-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CD1 3.58Å; L85-I89 HydrophobicContact CD1-CG1 4.1Å; L85-I89 HydrophobicContact CG-CD1 3.83Å; L85-I89 VanDerWaalsContact O-CG1 3.3Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 2.74Å; L86-I89 PolarHBondContact O-N 3.42Å; I89-K91 PolarHBondContact O-N 3.06Å; I89-D92 PolarHBondContact O-N 3.02Å; I89-N93 PolarHBondContact O-ND2 2.88Å; I89-M188 HydrophobicContact CD1-CE 3.85Å; I89-M188 HydrophobicContact CD1-SD 3.25Å; I89-M188 WeakPolarHBondContact CD1-SD 3.35Å
90	L	86	Confident	74.5	Confident	28 Å²	28	44.8 Å²	44.8	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-35.5	-178.7	-71.1	171.3	0	0	0	113.2	L86 N93 M99 T132 L134	L86-L90 HydrophobicContact CD1-CD1 4.16Å; L86-L90 HydrophobicContact CD1-CG 4.43Å; L86-L90 HydrophobicContact CG-CD1 4.03Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 VanDerWaalsContact O-CG 3.23Å; L86-L90 WeakPolarHBondContact O-CG 2.99Å; L86-L90 PolarHBondContact O-N 3.4Å; L90-N93 WeakPolarHBondContact O-CA 3.47Å; L90-N93 WeakPolarHBondContact O-CB 3.29Å; L90-N93 PolarHBondContact O-N 3.18Å; L90-M99 HydrophobicContact CD2-SD 4.12Å; L90-T132 HydrophobicContact CD1-CG2 3.53Å; L90-L134 HydrophobicContact CD2-CD1 3.98Å; L90-L134 HydrophobicContact CD2-CD2 4.46Å; L90-L134 HydrophobicContact CD2-CG 4.15Å
91	K	74.3	Confident	72.3	Confident	93 Å²	93	50.8 Å²	50.8	40%	0.404	24%	0.243	S	C	.	.	H	α-helix	trans	-76.1	-27.2	179.8	-159.5	-174.4	-179.4	178.3	0	113	Y53 K87 I89 N93 D94	Y53-K91 HydrophobicContact CD1-CB 4.09Å; Y53-K91 HydrophobicContact CD1-CD 4.16Å; Y53-K91 HydrophobicContact CD2-CD 4.01Å; Y53-K91 HydrophobicContact CE1-CB 3.4Å; Y53-K91 VanDerWaalsContact CE1-CB 3.4Å; Y53-K91 HydrophobicContact CE1-CD 3.51Å; Y53-K91 HydrophobicContact CE1-CG 4.05Å; Y53-K91 HydrophobicContact CE2-CD 3.31Å; Y53-K91 VanDerWaalsContact CE2-NZ 3.28Å; Y53-K91 HydrophobicContact CG-CD 4.42Å; Y53-K91 WeakPolarHBondContact OH-CD 3.31Å; K87-K91 PolarHBondContact O-N 2.97Å; K87-K91 VanDerWaalsContact O-N 3.16Å; I89-K91 PolarHBondContact O-N 3.06Å; K91-N93 PolarHBondContact O-N 2.92Å; K91-N93 VanDerWaalsContact O-N 3.1Å; K91-D94 PolarHBondContact O-N 2.8Å; K91-D94 VanDerWaalsContact O-N 3.17Å
92	D	57	Low	70.5	Confident	43 Å²	43	53.5 Å²	53.5	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-22.2	168.1	-162.7	38.5	0	0	0	110.6	N57 L88 I89 G97	N57-D92 PolarHBondContact ND2-OD1 3.48Å; N57-D92 PolarHBondContact OD1-OD1 2.88Å; N57-D92 VanDerWaalsContact OD1-OD1 3.07Å; N57-D92 PolarHBondContact OD1-OD2 2.88Å; L88-D92 PolarHBondContact O-N 3.11Å; I89-D92 PolarHBondContact O-N 3.02Å; D92-G97 WeakPolarHBondContact O-CA 3.41Å
93	N	53	Low	68.7	Low	4 Å²	4	57.4 Å²	57.4	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18	178.4	-60.2	-31	0	0	0	115.9	I89 L90 K91 G97 I98 M99	I89-N93 PolarHBondContact O-ND2 2.88Å; L90-N93 WeakPolarHBondContact O-CA 3.47Å; L90-N93 WeakPolarHBondContact O-CB 3.29Å; L90-N93 PolarHBondContact O-N 3.18Å; K91-N93 PolarHBondContact O-N 2.92Å; K91-N93 VanDerWaalsContact O-N 3.1Å; N93-G97 VanDerWaalsContact CA-CA 3.48Å; N93-G97 CarbonylContact O-C 3.53Å; N93-G97 VanDerWaalsContact O-CA 3.3Å; N93-G97 WeakPolarHBondContact O-CA 3.42Å; N93-G97 PolarHBondContact O-N 3.35Å; N93-I98 VanDerWaalsContact OD1-CB 3.31Å; N93-I98 WeakPolarHBondContact OD1-CB 3.41Å; N93-I98 PolarHBondContact OD1-N 3.01Å; N93-M99 HydrophobicContact CB-CB 4.13Å; N93-M99 HydrophobicContact CB-CG 3.92Å; N93-M99 HydrophobicContact CB-SD 4.19Å
94	D	50.7	Low	67.2	Low	96 Å²	96	63.8 Å²	63.8	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-16.1	-156.6	-102.7	-23.2	0	0	0	119.1	K91 K100	K91-D94 PolarHBondContact O-N 2.8Å; K91-D94 VanDerWaalsContact O-N 3.17Å; D94-K100 PolarHBondContact O-NZ 3.47Å
95	N	48.1	Very low	66.1	Low	152 Å²	152	64.9 Å²	64.9	81%	0.813	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	-1.8	174.2	-80.4	-38.4	0	0	0	115.1
96	N	48.9	Very low	65.6	Low	121 Å²	121	66.5 Å²	66.5	65%	0.647	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.9	23	171.1	-109	-25.5	0	0	0	112.3	R101	N96-R101 VanDerWaalsContact CG-NH2 3.32Å; N96-R101 PolarHBondContact O-NE 3.39Å; N96-R101 PolarHBondContact O-NH1 2.87Å; N96-R101 PolarHBondContact OD1-NH2 3.43Å
97	G	50	Low	65.5	Low	3 Å²	3	66.4 Å²	66.4	3%	0.031	33%	0.332	C	S	.	.			trans	-114.5	171.4	-151	0	0	0	0	0	115.4	D92 N93 M99 K100 R101	D92-G97 WeakPolarHBondContact O-CA 3.41Å; N93-G97 VanDerWaalsContact CA-CA 3.48Å; N93-G97 CarbonylContact O-C 3.53Å; N93-G97 VanDerWaalsContact O-CA 3.3Å; N93-G97 WeakPolarHBondContact O-CA 3.42Å; N93-G97 PolarHBondContact O-N 3.35Å; G97-M99 VanDerWaalsContact C-N 3.3Å; G97-M99 PolarHBondContact O-N 3.44Å; G97-K100 PolarHBondContact O-N 3.21Å; G97-K100 VanDerWaalsContact O-N 3.15Å; G97-R101 PolarHBondContact O-N 3.21Å
98	I	48	Very low	65.5	Low	19 Å²	19	64.1 Å²	64.1	10%	0.097	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-38.6	-155.4	-53.7	173.9	0	0	0	111.7	N66 I69 N93 K100 R101 N102 N105	N66-I98 HydrophobicContact CB-CD1 4.42Å; N66-I98 WeakPolarHBondContact OD1-CD1 3.44Å; I69-I98 HydrophobicContact CD1-CD1 3.57Å; I69-I98 HydrophobicContact CG2-CD1 4.16Å; I69-I98 HydrophobicContact CG2-CG2 4.19Å; N93-I98 VanDerWaalsContact OD1-CB 3.31Å; N93-I98 WeakPolarHBondContact OD1-CB 3.41Å; N93-I98 PolarHBondContact OD1-N 3.01Å; I98-K100 PolarHBondContact O-N 3.32Å; I98-R101 PolarHBondContact O-N 3.43Å; I98-N102 CarbonylContact O-C 3.52Å; I98-N102 PolarHBondContact O-N 3.5Å; I98-N105 HydrophobicContact CG2-CB 3.87Å; I98-N105 WeakPolarHBondContact CG2-O 3.3Å
99	M	47.9	Very low	65.7	Low	61 Å²	61	64.1 Å²	64.1	30%	0.3	32%	0.322	S	S	.	.	H	α-helix	trans	-65.7	-33.3	-178.6	-64.4	-177.7	80.3	0	0	114.2	L90 N93 G97 V106 L134	L90-M99 HydrophobicContact CD2-SD 4.12Å; N93-M99 HydrophobicContact CB-CB 4.13Å; N93-M99 HydrophobicContact CB-CG 3.92Å; N93-M99 HydrophobicContact CB-SD 4.19Å; G97-M99 VanDerWaalsContact C-N 3.3Å; G97-M99 PolarHBondContact O-N 3.44Å; M99-V106 HydrophobicContact CB-CG1 4.49Å; M99-V106 HydrophobicContact CE-CG1 4.33Å; M99-V106 HydrophobicContact CG-CG1 3.65Å; M99-L134 HydrophobicContact CE-CD2 3.82Å; M99-L134 HydrophobicContact SD-CD2 4.09Å
100	K	49	Very low	66.1	Low	147 Å²	147	63.8 Å²	63.8	64%	0.639	32%	0.32	S	S	*	.	H	α-helix	trans	-81.8	-31.8	175.8	-83	-178.3	-179.8	164.5	0	112.7	D94 G97 I98	D94-K100 PolarHBondContact O-NZ 3.47Å; G97-K100 PolarHBondContact O-N 3.21Å; G97-K100 VanDerWaalsContact O-N 3.15Å; I98-K100 PolarHBondContact O-N 3.32Å
101	R	50.8	Low	66.6	Low	174 Å²	174	62.6 Å²	62.6	66%	0.657	31%	0.314	S	S	*	.	H	α-helix	trans	-82.4	-34.3	-177.4	-73	-176.7	175	175.3	-0.1	113	N96 G97 I98	N96-R101 VanDerWaalsContact CG-NH2 3.32Å; N96-R101 PolarHBondContact O-NE 3.39Å; N96-R101 PolarHBondContact O-NH1 2.87Å; N96-R101 PolarHBondContact OD1-NH2 3.43Å; G97-R101 PolarHBondContact O-N 3.21Å; I98-R101 PolarHBondContact O-N 3.43Å
102	N	57.9	Low	67.6	Low	76 Å²	76	58.3 Å²	58.3	41%	0.406	30%	0.295	S	S	.	.			trans	-151	89.7	179.6	-162	-8.9	0	0	0	108.5	I98 N104 N105	I98-N102 CarbonylContact O-C 3.52Å; I98-N102 PolarHBondContact O-N 3.5Å; N102-N104 PolarHBondContact O-N 3.03Å; N102-N105 HydrophobicContact CB-CB 3.86Å; N102-N105 PolarHBondContact O-N 3.34Å
103	P	60	Low	69.3	Low	88 Å²	88	57.6 Å²	57.6	57%	0.571	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.2	-179.7	21.2	-31.3	0	0	0	112.6	N105	P103-N105 VanDerWaalsContact C-N 3.3Å
104	N	64.3	Low	70.8	Confident	137 Å²	137	59.3 Å²	59.3	73%	0.733	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.6	175.4	-62.1	-16.6	0	0	0	113.6	N102	N102-N104 PolarHBondContact O-N 3.03Å
105	N	74.4	Confident	72.3	Confident	23 Å²	23	58.8 Å²	58.8	12%	0.123	30%	0.304	C	S	.	.			trans	-107.2	53.6	-177	-161.9	29.1	0	0	0	112.6	N66 I69 N70 I98 N102 P103	N66-N105 PolarHBondContact O-ND2 3.07Å; I69-N105 VanDerWaalsContact CG2-CG 3.49Å; I69-N105 WeakPolarHBondContact CG2-ND2 3.16Å; I69-N105 WeakPolarHBondContact CG2-O 3.24Å; I69-N105 VanDerWaalsContact CG2-OD1 3.27Å; I69-N105 WeakPolarHBondContact CG2-OD1 3.39Å; N70-N105 WeakPolarHBondContact CB-OD1 3.09Å; N70-N105 VanDerWaalsContact CG-OD1 3.32Å; N70-N105 PolarHBondContact N-OD1 3.4Å; I98-N105 HydrophobicContact CG2-CB 3.87Å; I98-N105 WeakPolarHBondContact CG2-O 3.3Å; N102-N105 HydrophobicContact CB-CB 3.86Å; N102-N105 PolarHBondContact O-N 3.34Å; P103-N105 VanDerWaalsContact C-N 3.3Å
106	V	85	Confident	73.8	Confident	34 Å²	34	53.5 Å²	53.5	21%	0.206	28%	0.279	C	S	.	.			trans	-117.4	142.7	-176.7	-61.7	0	0	0	0	111.2	M99 L134	M99-V106 HydrophobicContact CB-CG1 4.49Å; M99-V106 HydrophobicContact CE-CG1 4.33Å; M99-V106 HydrophobicContact CG-CG1 3.65Å; V106-L134 HydrophobicContact CB-CD2 3.84Å; V106-L134 HydrophobicContact CG1-CD2 4.34Å; V106-L134 HydrophobicContact CG2-CD2 4.46Å
107	P	93.4	Very high	75.5	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.013	26%	0.258	C	S	.	.			trans	-74.9	156.4	176.5	31.5	-31.9	0	0	0	110.7	I69 M72 I74 L134	I69-P107 HydrophobicContact CD1-CG 4.26Å; I69-P107 HydrophobicContact CG1-CB 4.11Å; I69-P107 HydrophobicContact CG1-CG 4.02Å; I69-P107 VanDerWaalsContact O-CA 3.28Å; I69-P107 WeakPolarHBondContact O-CA 3.36Å; I69-P107 WeakPolarHBondContact O-CB 3.41Å; M72-P107 HydrophobicContact CB-CB 4.34Å; M72-P107 WeakPolarHBondContact O-CA 3.13Å; M72-P107 WeakPolarHBondContact O-CB 3.25Å; I74-P107 HydrophobicContact CD1-CB 3.92Å; I74-P107 HydrophobicContact CD1-CG 3.66Å; I74-P107 HydrophobicContact CG1-CB 4.09Å; I74-P107 HydrophobicContact CG1-CG 4.38Å; P107-L134 HydrophobicContact CG-CD1 4.24Å
108	K	95.1	Very high	77.3	Confident	39 Å²	39	51.6 Å²	51.6	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.1	167.6	-59.2	-176.7	-176.2	-175	0	109	M72 A73 I74 E135 Y137 L182	M72-K108 PolarHBondContact O-N 3.44Å; A73-K108 CarbonylContact C-O 3.59Å; A73-K108 WeakPolarHBondContact CA-O 3.21Å; I74-K108 PolarHBondContact N-O 2.91Å; K108-E135 VanDerWaalsContact CE-OE2 3.24Å; K108-E135 WeakPolarHBondContact CE-OE2 3.44Å; K108-E135 HydrophobicContact CG-CB 4.5Å; K108-E135 IonicContact NZ-OE1 3.36Å; K108-Y137 HydrophobicContact CD-CE2 4.15Å; K108-L182 HydrophobicContact CD-CB 4.24Å; K108-L182 PolarHBondContact NZ-O 3.11Å
109	V	97	Very high	79.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.4	173.3	65.2	0	0	0	0	109.5	I74 Y76 L86 M129 L134 E135 Y136 Y137	I74-V109 HydrophobicContact CB-CB 4.48Å; I74-V109 HydrophobicContact CB-CG2 4.29Å; I74-V109 HydrophobicContact CG2-CG2 4.45Å; Y76-V109 HydrophobicContact CG-CG2 4.15Å; L86-V109 HydrophobicContact CD1-CG2 4.5Å; V109-M129 HydrophobicContact CG1-CB 4.15Å; V109-M129 HydrophobicContact CG1-CG 4.17Å; V109-M129 HydrophobicContact CG1-SD 4.16Å; V109-M129 HydrophobicContact CG2-CG 4.01Å; V109-M129 HydrophobicContact CG2-SD 3.83Å; V109-L134 HydrophobicContact CG1-CB 4.29Å; V109-E135 PolarHBondContact N-O 3.24Å; V109-Y136 VanDerWaalsContact CG1-CB 3.45Å; V109-Y136 CarbonylContact O-C 3.5Å; V109-Y136 WeakPolarHBondContact O-CA 3.33Å; V109-Y137 PolarHBondContact O-N 2.83Å
110	F	97.7	Very high	81.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149	177	76.6	-84	0	0	0	112.5	A73 I74 A75 Y76 Y137 I139 L175 C178 L182 L187	A73-F110 HydrophobicContact CB-CD1 3.84Å; A73-F110 HydrophobicContact CB-CE1 3.67Å; I74-F110 WeakPolarHBondContact O-CD1 3.48Å; I74-F110 PolarHBondContact O-N 3.17Å; A75-F110 HydrophobicContact CB-CE1 4.14Å; A75-F110 HydrophobicContact CB-CE2 4.49Å; A75-F110 HydrophobicContact CB-CZ 3.87Å; Y76-F110 PolarHBondContact N-O 3.04Å; F110-Y137 CarbonylContact C-O 3.59Å; F110-Y137 WeakPolarHBondContact CA-O 3.39Å; F110-I139 HydrophobicContact CB-CD1 4.1Å; F110-I139 HydrophobicContact CD2-CD1 4.02Å; F110-I139 HydrophobicContact CG-CD1 4.22Å; F110-L175 HydrophobicContact CE2-CD2 3.65Å; F110-L175 HydrophobicContact CZ-CB 4.48Å; F110-L175 HydrophobicContact CZ-CD2 3.9Å; F110-C178 HydrophobicContact CD2-CB 3.94Å; F110-C178 HydrophobicContact CE2-CB 3.43Å; F110-C178 VanDerWaalsContact CE2-CB 3.43Å; F110-C178 HydrophobicContact CZ-CB 3.86Å; F110-L182 HydrophobicContact CB-CD1 3.83Å; F110-L182 HydrophobicContact CD1-CD1 3.67Å; F110-L182 HydrophobicContact CE1-CD1 4.45Å; F110-L182 HydrophobicContact CG-CD1 3.85Å; F110-L187 HydrophobicContact CE1-CD1 4.04Å; F110-L187 HydrophobicContact CZ-CD1 4.02Å
111	H	96.8	Very high	83.7	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.3	170.4	177	62.1	0	0	0	108.8	Y76 D117 I125 M129 Y137 I139	Y76-H111 WeakPolarHBondContact O-CA 3.26Å; Y76-H111 WeakPolarHBondContact O-CB 3.38Å; Y76-H111 PolarHBondContact O-ND1 3.41Å; H111-D117 IonicContact CE1-OD2 3.03Å; H111-D117 PolarHBondContact CE1-OD2 3Å; H111-D117 IonicContact NE2-OD2 2.61Å; H111-D117 PolarHBondContact NE2-OD2 2.69Å; H111-D117 VanDerWaalsContact NE2-OD2 3.12Å; H111-I125 HydrophobicContact CB-CG2 3.94Å; H111-M129 HydrophobicContact CB-CE 3.73Å; H111-M129 HydrophobicContact CB-SD 4.12Å; H111-Y137 PolarHBondContact N-O 3.02Å; H111-I139 PolarHBondContact O-N 3.44Å
112	L	94.6	Very high	85.7	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113	167.6	173.7	66.8	0	0	0	106.8	E114 L141 R171 L174 L175	L112-E114 PolarHBondContact O-N 3.19Å; L112-L141 HydrophobicContact CD1-CD1 4.03Å; L112-L141 HydrophobicContact CD1-CG 4.23Å; L112-R171 HydrophobicContact CD2-CG 4.46Å; L112-L174 HydrophobicContact CD2-CB 3.74Å; L112-L174 HydrophobicContact CD2-CD1 4.03Å; L112-L175 HydrophobicContact CB-CD2 4Å; L112-L175 HydrophobicContact CD2-CD2 4.12Å
113	V	92	Very high	87.5	Confident	27 Å²	27	46.4 Å²	46.4	16%	0.164	27%	0.266	C	S	.	.			trans	-72.6	120	-179	-177.8	0	0	0	0	108.7	L122 N138 I139 I144	V113-L122 HydrophobicContact CG2-CD1 4.09Å; V113-N138 HydrophobicContact CG2-CB 4.18Å; V113-I139 PolarHBondContact N-O 3.24Å; V113-I144 WeakPolarHBondContact O-CD1 3.02Å
114	E	85.8	Confident	89.2	Confident	41 Å²	41	44.1 Å²	44.1	19%	0.192	25%	0.249	C	C	.	.			trans	-105.9	154	178.7	-74.1	167.4	-158.3	0	0	110.2	L112 S116 D117 R171	L112-E114 PolarHBondContact O-N 3.19Å; E114-S116 PolarHBondContact O-N 3.16Å; E114-D117 PolarHBondContact N-OD2 2.98Å; E114-D117 WeakPolarHBondContact O-CB 3.27Å; E114-D117 PolarHBondContact O-N 2.92Å; E114-R171 VanDerWaalsContact CD-CZ 3.43Å; E114-R171 IonicContact OE1-CZ 3.39Å; E114-R171 IonicContact OE1-NE 3.37Å; E114-R171 PolarHBondContact OE1-NE 2.83Å; E114-R171 IonicContact OE1-NH1 3.7Å; E114-R171 PolarHBondContact OE1-NH1 2.98Å; E114-R171 IonicContact OE1-NH2 3.87Å; E114-R171 PolarHBondContact OE1-NH2 3.28Å; E114-R171 IonicContact OE2-CZ 3.23Å; E114-R171 VanDerWaalsContact OE2-CZ 3.28Å; E114-R171 IonicContact OE2-NH1 3.48Å; E114-R171 PolarHBondContact OE2-NH1 3.1Å; E114-R171 IonicContact OE2-NH2 3.13Å; E114-R171 PolarHBondContact OE2-NH2 2.98Å
115	S	81	Confident	90.8	Very high	84 Å²	84	37.6 Å²	37.6	59%	0.587	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.4	-179.6	57.3	0	0	0	0	113.5	D117 E146	S115-D117 VanDerWaalsContact C-N 3.3Å; S115-E146 VanDerWaalsContact CB-OE1 3.24Å; S115-E146 WeakPolarHBondContact CB-OE1 3.33Å; S115-E146 PolarHBondContact OG-OE1 2.89Å
116	S	80.2	Confident	91.8	Very high	42 Å²	42	37.9 Å²	37.9	29%	0.294	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.9	174.5	55.4	0	0	0	0	114.1	E114 S118	E114-S116 PolarHBondContact O-N 3.16Å; S116-S118 PolarHBondContact O-N 2.97Å
117	D	84.6	Confident	92.4	Very high	39 Å²	39	41.2 Å²	41.2	21%	0.209	23%	0.229	C	C	.	.			trans	-73.7	111.6	178.5	-69.9	-40.8	0	0	0	110.3	H111 E114 S115	H111-D117 IonicContact CE1-OD2 3.03Å; H111-D117 PolarHBondContact CE1-OD2 3Å; H111-D117 IonicContact NE2-OD2 2.61Å; H111-D117 PolarHBondContact NE2-OD2 2.69Å; H111-D117 VanDerWaalsContact NE2-OD2 3.12Å; E114-D117 PolarHBondContact N-OD2 2.98Å; E114-D117 WeakPolarHBondContact O-CB 3.27Å; E114-D117 PolarHBondContact O-N 2.92Å; S115-D117 VanDerWaalsContact C-N 3.3Å
118	S	88.9	Confident	92.5	Very high	45 Å²	45	42.3 Å²	42.3	32%	0.315	23%	0.234	S	C	.	.			trans	-65.9	150.9	171.5	74.2	0	0	0	0	110.4	S116 A120 N121 L122	S116-S118 PolarHBondContact O-N 2.97Å; S118-A120 PolarHBondContact O-N 3.31Å; S118-N121 WeakPolarHBondContact O-CB 3.36Å; S118-N121 PolarHBondContact O-N 3.29Å; S118-N121 WeakPolarHBondContact OG-CB 3.44Å; S118-N121 VanDerWaalsContact OG-CG 3.25Å; S118-N121 PolarHBondContact OG-N 3.21Å; S118-N121 PolarHBondContact OG-ND2 3.49Å; S118-L122 PolarHBondContact O-N 3.38Å
119	Q	91.9	Very high	92.5	Very high	125 Å²	125	40.4 Å²	40.4	58%	0.584	23%	0.226	S	C	*	.	H	α-helix	trans	-52.2	-43	177.1	-177.2	61.2	23.2	0	0	112.2	N121 L122 E123	Q119-N121 PolarHBondContact O-N 3.1Å; Q119-L122 PolarHBondContact O-N 3.46Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.34Å; Q119-E123 PolarHBondContact NE2-OE1 3.14Å; Q119-E123 WeakPolarHBondContact O-CG 3.26Å; Q119-E123 PolarHBondContact O-N 3.04Å
120	A	93.3	Very high	92.4	Very high	65 Å²	65	46.7 Å²	46.7	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-39.2	177.5	0	0	0	0	0	112.8	S118 L124	S118-A120 PolarHBondContact O-N 3.31Å; A120-L124 WeakPolarHBondContact O-CB 3.35Å; A120-L124 PolarHBondContact O-N 2.94Å; A120-L124 VanDerWaalsContact O-N 3.07Å
121	N	93.3	Very high	92.1	Very high	29 Å²	29	52.3 Å²	52.3	16%	0.155	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-44.6	175.9	-76.7	-7.8	0	0	0	110.8	S118 Q119 E123 L124 I125 V252	S118-N121 WeakPolarHBondContact O-CB 3.36Å; S118-N121 PolarHBondContact O-N 3.29Å; S118-N121 WeakPolarHBondContact OG-CB 3.44Å; S118-N121 VanDerWaalsContact OG-CG 3.25Å; S118-N121 PolarHBondContact OG-N 3.21Å; S118-N121 PolarHBondContact OG-ND2 3.49Å; Q119-N121 PolarHBondContact O-N 3.1Å; N121-E123 VanDerWaalsContact C-N 3.34Å; N121-E123 PolarHBondContact O-N 3.42Å; N121-L124 PolarHBondContact O-N 3.04Å; N121-I125 WeakPolarHBondContact O-CB 3.47Å; N121-I125 WeakPolarHBondContact O-CG1 3.31Å; N121-I125 PolarHBondContact O-N 2.93Å; N121-V252 HydrophobicContact CB-CG1 4.21Å
122	L	93.7	Very high	91.8	Very high	35 Å²	35	53.2 Å²	53.2	18%	0.183	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-41.2	179.2	-176.8	61.6	0	0	0	112	V113 S118 Q119 I125 T126	V113-L122 HydrophobicContact CG2-CD1 4.09Å; S118-L122 PolarHBondContact O-N 3.38Å; Q119-L122 PolarHBondContact O-N 3.46Å; L122-I125 PolarHBondContact O-N 3.49Å; L122-T126 VanDerWaalsContact O-CB 3.29Å; L122-T126 WeakPolarHBondContact O-CB 3.37Å; L122-T126 PolarHBondContact O-N 3.23Å; L122-T126 PolarHBondContact O-OG1 2.85Å
123	E	95.6	Very high	91.5	Very high	113 Å²	113	56 Å²	56	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-46	173.9	-76.2	171.6	-167.1	0	0	111.7	Q119 N121 T126 K127	Q119-E123 WeakPolarHBondContact CG-OE1 3.34Å; Q119-E123 PolarHBondContact NE2-OE1 3.14Å; Q119-E123 WeakPolarHBondContact O-CG 3.26Å; Q119-E123 PolarHBondContact O-N 3.04Å; N121-E123 VanDerWaalsContact C-N 3.34Å; N121-E123 PolarHBondContact O-N 3.42Å; E123-T126 PolarHBondContact O-N 2.9Å; E123-K127 VanDerWaalsContact O-CB 3.29Å; E123-K127 WeakPolarHBondContact O-CB 3.41Å; E123-K127 PolarHBondContact O-N 3.42Å
124	L	95.4	Very high	91.4	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-45.9	177.8	177.1	52.7	0	0	0	111.9	A120 N121 T126 K127 I128 E250 V252	A120-L124 WeakPolarHBondContact O-CB 3.35Å; A120-L124 PolarHBondContact O-N 2.94Å; A120-L124 VanDerWaalsContact O-N 3.07Å; N121-L124 PolarHBondContact O-N 3.04Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-T126 PolarHBondContact O-N 3.42Å; L124-K127 WeakPolarHBondContact O-CB 3.39Å; L124-K127 PolarHBondContact O-N 3.48Å; L124-I128 HydrophobicContact CD1-CD1 3.87Å; L124-I128 HydrophobicContact CD1-CG1 4.08Å; L124-I128 HydrophobicContact CG-CD1 4.05Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 2.97Å; L124-E250 VanDerWaalsContact CD1-CD 3.44Å; L124-E250 HydrophobicContact CD1-CG 3.93Å; L124-E250 WeakPolarHBondContact CD1-OE1 3.42Å; L124-E250 HydrophobicContact CD2-CG 4.49Å; L124-V252 HydrophobicContact CB-CG1 4.39Å; L124-V252 HydrophobicContact CD2-CG1 3.93Å; L124-V252 HydrophobicContact CG-CG1 4.15Å
125	I	96.3	Very high	91.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-56.9	-49	176.2	-73.2	170.5	0	0	0	110.4	Y76 H111 N121 L122 K127 I128 M129 V252	Y76-I125 HydrophobicContact CD1-CG2 3.88Å; Y76-I125 HydrophobicContact CE1-CG2 3.93Å; H111-I125 HydrophobicContact CB-CG2 3.94Å; N121-I125 WeakPolarHBondContact O-CB 3.47Å; N121-I125 WeakPolarHBondContact O-CG1 3.31Å; N121-I125 PolarHBondContact O-N 2.93Å; L122-I125 PolarHBondContact O-N 3.49Å; I125-K127 PolarHBondContact O-N 2.9Å; I125-I128 PolarHBondContact O-N 3.3Å; I125-M129 HydrophobicContact CG2-CE 3.97Å; I125-M129 WeakPolarHBondContact O-CG 3.27Å; I125-M129 PolarHBondContact O-N 3.19Å; I125-V252 HydrophobicContact CD1-CG1 4.18Å; I125-V252 HydrophobicContact CD1-CG2 4.18Å; I125-V252 HydrophobicContact CG1-CG1 3.76Å; I125-V252 HydrophobicContact CG1-CG2 4.43Å
126	T	96.7	Very high	92.5	Very high	29 Å²	29	57.4 Å²	57.4	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-43.9	179.4	-57.3	0	0	0	0	111.3	L122 E123 L124 I128 M129 K130 Y136 N138	L122-T126 VanDerWaalsContact O-CB 3.29Å; L122-T126 WeakPolarHBondContact O-CB 3.37Å; L122-T126 PolarHBondContact O-N 3.23Å; L122-T126 PolarHBondContact O-OG1 2.85Å; E123-T126 PolarHBondContact O-N 2.9Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-T126 PolarHBondContact O-N 3.42Å; T126-I128 PolarHBondContact O-N 3.1Å; T126-M129 PolarHBondContact O-N 3.09Å; T126-K130 VanDerWaalsContact O-CB 3.31Å; T126-K130 WeakPolarHBondContact O-CB 3.24Å; T126-K130 PolarHBondContact O-N 3.22Å; T126-Y136 HydrophobicContact CG2-CE2 3.99Å; T126-N138 PolarHBondContact OG1-ND2 2.77Å
127	K	96.6	Very high	93.3	Very high	105 Å²	105	59.2 Å²	59.2	46%	0.457	31%	0.312	S	S	.	.	H	α-helix	trans	-58.5	-46.2	175.7	178.5	-169.4	172	-158.3	0	111.3	E123 L124 I125 K130 N131 E250	E123-K127 VanDerWaalsContact O-CB 3.29Å; E123-K127 WeakPolarHBondContact O-CB 3.41Å; E123-K127 PolarHBondContact O-N 3.42Å; L124-K127 WeakPolarHBondContact O-CB 3.39Å; L124-K127 PolarHBondContact O-N 3.48Å; I125-K127 PolarHBondContact O-N 2.9Å; K127-K130 PolarHBondContact O-N 3.33Å; K127-N131 WeakPolarHBondContact O-CB 3.39Å; K127-N131 PolarHBondContact O-N 3.07Å; K127-N131 PolarHBondContact O-ND2 2.92Å; K127-N131 PolarHBondContact O-OD1 3.19Å; K127-E250 IonicContact NZ-OE1 3.25Å
128	I	95.5	Very high	93.8	Very high	24 Å²	24	60.5 Å²	60.5	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-47.5	179.4	-64.8	164	0	0	0	110.6	Y76 L124 I125 T126 K130 N131 T132 E250	Y76-I128 HydrophobicContact CE1-CB 4.42Å; Y76-I128 HydrophobicContact CE1-CG2 4.36Å; Y76-I128 WeakPolarHBondContact OH-CG2 3.21Å; L124-I128 HydrophobicContact CD1-CD1 3.87Å; L124-I128 HydrophobicContact CD1-CG1 4.08Å; L124-I128 HydrophobicContact CG-CD1 4.05Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 2.97Å; I125-I128 PolarHBondContact O-N 3.3Å; T126-I128 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.39Å; I128-N131 PolarHBondContact O-N 3.3Å; I128-T132 WeakPolarHBondContact O-CG2 3.35Å; I128-T132 PolarHBondContact O-N 3.47Å; I128-E250 HydrophobicContact CD1-CB 4.45Å; I128-E250 HydrophobicContact CD1-CG 4.3Å
129	M	95.7	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-45.4	177.5	-71.4	-168.1	-62.6	0	0	111.8	Y76 V109 H111 I125 T126 N131 T132 Y136 N138	Y76-M129 HydrophobicContact CD1-CG 3.35Å; Y76-M129 HydrophobicContact CD1-SD 3.66Å; Y76-M129 HydrophobicContact CE1-CG 3.75Å; Y76-M129 HydrophobicContact CG-CG 4.09Å; Y76-M129 HydrophobicContact CG-SD 4.23Å; V109-M129 HydrophobicContact CG1-CB 4.15Å; V109-M129 HydrophobicContact CG1-CG 4.17Å; V109-M129 HydrophobicContact CG1-SD 4.16Å; V109-M129 HydrophobicContact CG2-CG 4.01Å; V109-M129 HydrophobicContact CG2-SD 3.83Å; H111-M129 HydrophobicContact CB-CE 3.73Å; H111-M129 HydrophobicContact CB-SD 4.12Å; I125-M129 HydrophobicContact CG2-CE 3.97Å; I125-M129 WeakPolarHBondContact O-CG 3.27Å; I125-M129 PolarHBondContact O-N 3.19Å; T126-M129 PolarHBondContact O-N 3.09Å; M129-N131 VanDerWaalsContact C-N 3.32Å; M129-N131 PolarHBondContact O-N 2.83Å; M129-T132 WeakPolarHBondContact O-CB 3.39Å; M129-T132 WeakPolarHBondContact O-CG2 3.04Å; M129-T132 PolarHBondContact O-N 3.21Å; M129-T132 VanDerWaalsContact O-N 3.12Å; M129-T132 PolarHBondContact O-OG1 3.23Å; M129-Y136 HydrophobicContact CB-CD2 4.35Å; M129-Y136 HydrophobicContact CB-CG 4.19Å; M129-Y136 HydrophobicContact CE-CD2 4.3Å; M129-N138 WeakPolarHBondContact CE-OD1 3.04Å
130	K	94.3	Very high	94	Very high	132 Å²	132	56.9 Å²	56.9	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-59.8	-41.2	177.6	-175.2	175.9	179.8	177.8	0	112.3	T126 K127 I128 T132 G133 Y136	T126-K130 VanDerWaalsContact O-CB 3.31Å; T126-K130 WeakPolarHBondContact O-CB 3.24Å; T126-K130 PolarHBondContact O-N 3.22Å; K127-K130 PolarHBondContact O-N 3.33Å; I128-K130 PolarHBondContact O-N 3.39Å; K130-T132 PolarHBondContact O-N 3Å; K130-T132 VanDerWaalsContact O-N 3.15Å; K130-G133 PolarHBondContact O-N 2.73Å; K130-Y136 HydrophobicContact CB-CD1 4.45Å; K130-Y136 HydrophobicContact CB-CE1 3.93Å; K130-Y136 HydrophobicContact CG-CE1 4.01Å
131	N	92.2	Very high	93.1	Very high	118 Å²	118	55 Å²	55	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-67.4	-11.3	179.6	-72.1	-11.2	0	0	0	113.9	K127 I128 M129 G133	K127-N131 WeakPolarHBondContact O-CB 3.39Å; K127-N131 PolarHBondContact O-N 3.07Å; K127-N131 PolarHBondContact O-ND2 2.92Å; K127-N131 PolarHBondContact O-OD1 3.19Å; I128-N131 PolarHBondContact O-N 3.3Å; M129-N131 VanDerWaalsContact C-N 3.32Å; M129-N131 PolarHBondContact O-N 2.83Å; N131-G133 VanDerWaalsContact C-N 3.31Å
132	T	89.9	Confident	91.6	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.123	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.5	175.3	69.7	0	0	0	0	113.7	L86 L90 I128 M129 K130 L134	L86-T132 HydrophobicContact CD1-CG2 4.12Å; L86-T132 HydrophobicContact CD2-CG2 3.72Å; L86-T132 HydrophobicContact CG-CG2 3.98Å; L90-T132 HydrophobicContact CD1-CG2 3.53Å; I128-T132 WeakPolarHBondContact O-CG2 3.35Å; I128-T132 PolarHBondContact O-N 3.47Å; M129-T132 WeakPolarHBondContact O-CB 3.39Å; M129-T132 WeakPolarHBondContact O-CG2 3.04Å; M129-T132 PolarHBondContact O-N 3.21Å; M129-T132 VanDerWaalsContact O-N 3.12Å; M129-T132 PolarHBondContact O-OG1 3.23Å; K130-T132 PolarHBondContact O-N 3Å; K130-T132 VanDerWaalsContact O-N 3.15Å; T132-L134 PolarHBondContact O-N 2.76Å; T132-L134 WeakPolarHBondContact OG1-CB 3.36Å; T132-L134 PolarHBondContact OG1-N 3.01Å; T132-L134 VanDerWaalsContact OG1-N 3.1Å
133	G	89	Confident	89.7	Confident	62 Å²	62	63.9 Å²	63.9	64%	0.639	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	5	-170.4	0	0	0	0	0	114.6	K130 N131	K130-G133 PolarHBondContact O-N 2.73Å; N131-G133 VanDerWaalsContact C-N 3.31Å
134	L	90.7	Very high	87.6	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	32%	0.317	C	S	.	.	S	Bend	trans	-83.2	157.3	173.2	-58.9	175.8	0	0	0	111.2	L86 L90 M99 V106 P107 V109 T132 Y136	L86-L134 HydrophobicContact CD1-CD1 4.16Å; L90-L134 HydrophobicContact CD2-CD1 3.98Å; L90-L134 HydrophobicContact CD2-CD2 4.46Å; L90-L134 HydrophobicContact CD2-CG 4.15Å; M99-L134 HydrophobicContact CE-CD2 3.82Å; M99-L134 HydrophobicContact SD-CD2 4.09Å; V106-L134 HydrophobicContact CB-CD2 3.84Å; V106-L134 HydrophobicContact CG1-CD2 4.34Å; V106-L134 HydrophobicContact CG2-CD2 4.46Å; P107-L134 HydrophobicContact CG-CD1 4.24Å; V109-L134 HydrophobicContact CG1-CB 4.29Å; T132-L134 PolarHBondContact O-N 2.76Å; T132-L134 WeakPolarHBondContact OG1-CB 3.36Å; T132-L134 PolarHBondContact OG1-N 3.01Å; T132-L134 VanDerWaalsContact OG1-N 3.1Å; L134-Y136 PolarHBondContact O-N 3.18Å
135	E	93.6	Very high	85.1	Confident	88 Å²	88	64.5 Å²	64.5	41%	0.411	34%	0.34	S	S	.	.			trans	-62.1	120.9	166.7	-167.5	-172.3	169.3	0	0	109.2	K108 V109 Y137	K108-E135 VanDerWaalsContact CE-OE2 3.24Å; K108-E135 WeakPolarHBondContact CE-OE2 3.44Å; K108-E135 HydrophobicContact CG-CB 4.5Å; K108-E135 IonicContact NZ-OE1 3.36Å; V109-E135 PolarHBondContact N-O 3.24Å; E135-Y137 HydrophobicContact CG-CE2 3.66Å; E135-Y137 WeakPolarHBondContact OE1-CE2 3.28Å; E135-Y137 VanDerWaalsContact OE1-CZ 3.26Å; E135-Y137 PolarHBondContact OE1-OH 2.98Å
136	Y	96	Very high	82.7	Confident	86 Å²	86	70.3 Å²	70.3	34%	0.337	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.2	-173.2	76.9	-89.5	0	0	0	113.5	V109 T126 M129 K130 L134	V109-Y136 VanDerWaalsContact CG1-CB 3.45Å; V109-Y136 CarbonylContact O-C 3.5Å; V109-Y136 WeakPolarHBondContact O-CA 3.33Å; T126-Y136 HydrophobicContact CG2-CE2 3.99Å; M129-Y136 HydrophobicContact CB-CD2 4.35Å; M129-Y136 HydrophobicContact CB-CG 4.19Å; M129-Y136 HydrophobicContact CE-CD2 4.3Å; K130-Y136 HydrophobicContact CB-CD1 4.45Å; K130-Y136 HydrophobicContact CB-CE1 3.93Å; K130-Y136 HydrophobicContact CG-CE1 4.01Å; L134-Y136 PolarHBondContact O-N 3.18Å
137	Y	97	Very high	80.2	Confident	80 Å²	80	71.7 Å²	71.7	31%	0.314	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	132	-177.6	-65	-91.1	0	0	0	112.4	K108 V109 F110 H111 E135 L182	K108-Y137 HydrophobicContact CD-CE2 4.15Å; V109-Y137 PolarHBondContact O-N 2.83Å; F110-Y137 CarbonylContact C-O 3.59Å; F110-Y137 WeakPolarHBondContact CA-O 3.39Å; H111-Y137 PolarHBondContact N-O 3.02Å; E135-Y137 HydrophobicContact CG-CE2 3.66Å; E135-Y137 WeakPolarHBondContact OE1-CE2 3.28Å; E135-Y137 VanDerWaalsContact OE1-CZ 3.26Å; E135-Y137 PolarHBondContact OE1-OH 2.98Å; Y137-L182 HydrophobicContact CD1-CD2 3.9Å; Y137-L182 HydrophobicContact CD2-CD1 4.39Å; Y137-L182 HydrophobicContact CD2-CD2 3.47Å; Y137-L182 VanDerWaalsContact CD2-CD2 3.47Å; Y137-L182 HydrophobicContact CE1-CD2 4Å; Y137-L182 HydrophobicContact CE2-CD2 3.61Å; Y137-L182 HydrophobicContact CG-CD2 3.61Å
138	N	94.9	Very high	77.6	Confident	65 Å²	65	72.8 Å²	72.8	35%	0.348	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.9	160.1	-68.8	-28	0	0	0	107.2	V113 T126 M129	V113-N138 HydrophobicContact CG2-CB 4.18Å; T126-N138 PolarHBondContact OG1-ND2 2.77Å; M129-N138 WeakPolarHBondContact CE-OD1 3.04Å
139	I	94.3	Very high	75.4	Confident	8 Å²	8	78.9 Å²	78.9	4%	0.041	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.2	-176.3	-56	176.3	0	0	0	108.4	F110 H111 V113 L141 C178 L182	F110-I139 HydrophobicContact CB-CD1 4.1Å; F110-I139 HydrophobicContact CD2-CD1 4.02Å; F110-I139 HydrophobicContact CG-CD1 4.22Å; H111-I139 PolarHBondContact O-N 3.44Å; V113-I139 PolarHBondContact N-O 3.24Å; I139-L141 HydrophobicContact CG2-CD2 4.25Å; I139-L141 HydrophobicContact CG2-CG 4.24Å; I139-C178 HydrophobicContact CD1-CB 3.87Å; I139-L182 HydrophobicContact CD1-CD1 4.12Å; I139-L182 HydrophobicContact CD1-CD2 4.24Å; I139-L182 HydrophobicContact CD1-CG 4.15Å
140	T	89.5	Confident	73.1	Confident	86 Å²	86	88.1 Å²	88.1	53%	0.528	45%	0.454	S	S	.	.			trans	-92	134.6	163.3	-47.2	0	0	0	0	107.9
141	L	74.5	Confident	71.1	Confident	26 Å²	26	83.9 Å²	83.9	14%	0.136	43%	0.434	C	S	.	.			trans	-111.8	116.3	169.6	-70.2	174.9	0	0	0	107.1	L112 I139 E143 I144 L174	L112-L141 HydrophobicContact CD1-CD1 4.03Å; L112-L141 HydrophobicContact CD1-CG 4.23Å; I139-L141 HydrophobicContact CG2-CD2 4.25Å; I139-L141 HydrophobicContact CG2-CG 4.24Å; L141-E143 PolarHBondContact O-N 2.88Å; L141-I144 WeakPolarHBondContact O-CG1 3.32Å; L141-I144 PolarHBondContact O-N 3.37Å; L141-I144 VanDerWaalsContact O-N 3.12Å; L141-L174 HydrophobicContact CD1-CB 3.97Å; L141-L174 HydrophobicContact CD1-CD2 3.64Å; L141-L174 HydrophobicContact CD1-CG 4.3Å
142	D	61.8	Low	69.3	Low	160 Å²	160	84.8 Å²	84.8	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-8	-179.9	-56.2	-34.5	0	0	0	112.8	I144	D142-I144 VanDerWaalsContact C-N 3.3Å; D142-I144 PolarHBondContact O-N 2.91Å
143	E	54.2	Low	67.5	Low	91 Å²	91	89 Å²	89	43%	0.425	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.3	174.9	-62.6	179.1	152.7	0	0	114.1	L141 T145 Y170 K177	L141-E143 PolarHBondContact O-N 2.88Å; E143-T145 PolarHBondContact O-N 3.48Å; E143-Y170 PolarHBondContact O-OH 2.78Å; E143-K177 IonicContact OE1-NZ 3.72Å; E143-K177 PolarHBondContact OE1-NZ 2.95Å; E143-K177 IonicContact OE2-NZ 3.69Å; E143-K177 PolarHBondContact OE2-NZ 2.94Å
144	I	50.8	Low	66.1	Low	54 Å²	54	94.4 Å²	94.4	28%	0.277	48%	0.483	S	S	.	.			trans	-75.2	72.7	171.8	-53	170.7	0	0	0	107.6	V113 L141 D142 E146 L174	V113-I144 WeakPolarHBondContact O-CD1 3.02Å; L141-I144 WeakPolarHBondContact O-CG1 3.32Å; L141-I144 PolarHBondContact O-N 3.37Å; L141-I144 VanDerWaalsContact O-N 3.12Å; D142-I144 VanDerWaalsContact C-N 3.3Å; D142-I144 PolarHBondContact O-N 2.91Å; I144-E146 PolarHBondContact O-N 2.88Å; I144-L174 HydrophobicContact CG1-CD1 4.15Å
145	T	42.8	Very low	65.1	Low	112 Å²	112	95.7 Å²	95.7	69%	0.687	49%	0.49	S	S	*	.			trans	-63.2	108	157.8	44.3	0	0	0	0	105.7	E143 V147	E143-T145 PolarHBondContact O-N 3.48Å; T145-V147 PolarHBondContact O-N 3.21Å
146	E	45.9	Very low	64.5	Low	121 Å²	121	95.3 Å²	95.3	57%	0.565	49%	0.494	S	S	*	.			trans	-50	115.1	163.1	-73.6	-178.3	158.3	0	0	106.4	S115 I144 N148	S115-E146 VanDerWaalsContact CB-OE1 3.24Å; S115-E146 WeakPolarHBondContact CB-OE1 3.33Å; S115-E146 PolarHBondContact OG-OE1 2.89Å; I144-E146 PolarHBondContact O-N 2.88Å; E146-N148 PolarHBondContact O-N 3.03Å
147	V	44.5	Very low	63.9	Low	59 Å²	59	93.6 Å²	93.6	36%	0.358	49%	0.494	S	S	.	.			trans	-61.2	98.2	163.2	177.8	0	0	0	0	103.9	T145 E149 W151 Y166	T145-V147 PolarHBondContact O-N 3.21Å; V147-E149 PolarHBondContact O-N 3.08Å; V147-W151 HydrophobicContact CG1-CZ2 4.29Å; V147-Y166 HydrophobicContact CG2-CE1 4.5Å
148	N	43.2	Very low	63.3	Low	127 Å²	127	93 Å²	93	68%	0.679	50%	0.502	S	S	*	.			trans	-28.8	120.9	-175.6	-99	-34.4	0	0	0	110.1	E146 K150 W151	E146-N148 PolarHBondContact O-N 3.03Å; N148-K150 PolarHBondContact O-N 3.38Å; N148-W151 PolarHBondContact O-NE1 3.47Å
149	E	48.9	Very low	62.7	Low	153 Å²	153	90.4 Å²	90.4	72%	0.715	49%	0.489	S	S	*	.	S	Bend	trans	-67.5	38	179.6	-66.6	-167.1	143.8	0	0	113.5	V147 W151	V147-E149 PolarHBondContact O-N 3.08Å; E149-W151 PolarHBondContact O-N 2.95Å; E149-W151 VanDerWaalsContact O-N 3.1Å
150	K	46.9	Very low	62.3	Low	193 Å²	193	90 Å²	90	84%	0.839	49%	0.487	S	S	*	.			trans	-81.5	30	174	-117.8	-178.5	-179.4	-176.7	0	112.6	N148	N148-K150 PolarHBondContact O-N 3.38Å
151	W	52.1	Low	62.4	Low	43 Å²	43	86.4 Å²	86.4	16%	0.163	47%	0.465	C	S	.	.			trans	-105.9	9.5	-166.9	-67.6	104.9	0	0	0	115.4	V147 N148 E149 S153 L155 C374 T375	V147-W151 HydrophobicContact CG1-CZ2 4.29Å; N148-W151 PolarHBondContact O-NE1 3.47Å; E149-W151 PolarHBondContact O-N 2.95Å; E149-W151 VanDerWaalsContact O-N 3.1Å; W151-S153 PolarHBondContact O-N 3.17Å; W151-L155 HydrophobicContact CB-CD1 4.08Å; W151-L155 HydrophobicContact CE3-CD1 4.04Å; W151-C374 HydrophobicContact CE3-CB 4.44Å; W151-C374 VanDerWaalsContact CH2-CA 3.48Å; W151-C374 HydrophobicContact CH2-CB 3.17Å; W151-C374 WeakPolarHBondContact CH2-O 2.87Å; W151-C374 HydrophobicContact CZ2-CB 4.46Å; W151-C374 HydrophobicContact CZ3-CB 3.17Å; W151-C374 WeakPolarHBondContact CZ3-O 2.9Å; W151-T375 HydrophobicContact CH2-CG2 4.12Å; W151-T375 HydrophobicContact CZ2-CG2 3.89Å
152	T	54.2	Low	63	Low	138 Å²	138	86.3 Å²	86.3	85%	0.847	46%	0.464	S	S	*	.	S	Bend	trans	-86.5	-3.3	-161.7	41.9	0	0	0	0	115.8
153	S	52.4	Low	64.2	Low	108 Å²	108	80.1 Å²	80.1	76%	0.755	43%	0.43	S	S	*	.	S	Bend	trans	-112.7	-13.3	-173.1	54.6	0	0	0	0	117.3	W151	W151-S153 PolarHBondContact O-N 3.17Å
154	Q	61	Low	65.8	Low	176 Å²	176	76.8 Å²	76.8	82%	0.822	42%	0.415	S	S	*	.			trans	-148.8	42	-175.5	-64.4	-173.9	-6.3	0	0	114.5	T156	Q154-T156 PolarHBondContact O-N 2.94Å
155	L	69.3	Low	67.7	Low	36 Å²	36	74.6 Å²	74.6	19%	0.188	40%	0.403	C	S	.	.			trans	-80.9	120.6	178.6	-126.3	70.7	0	0	0	111.4	W151 L160	W151-L155 HydrophobicContact CB-CD1 4.08Å; W151-L155 HydrophobicContact CE3-CD1 4.04Å; L155-L160 HydrophobicContact CD2-CB 3.83Å; L155-L160 HydrophobicContact CD2-CD1 3.44Å; L155-L160 VanDerWaalsContact CD2-CD1 3.44Å; L155-L160 HydrophobicContact CD2-CG 4.11Å; L155-L160 HydrophobicContact CG-CB 4.33Å
156	T	80.3	Confident	70	Confident	80 Å²	80	71.4 Å²	71.4	49%	0.491	38%	0.378	S	S	.	.			trans	-88	161	169.1	67.6	0	0	0	0	109.4	Q154 S158 S159 L160	Q154-T156 PolarHBondContact O-N 2.94Å; T156-S158 PolarHBondContact O-N 3.24Å; T156-S159 PolarHBondContact N-OG 2.73Å; T156-S159 VanDerWaalsContact N-OG 3.08Å; T156-S159 PolarHBondContact O-N 3.34Å; T156-S159 PolarHBondContact O-OG 3.36Å; T156-S159 PolarHBondContact OG1-N 3.09Å; T156-S159 VanDerWaalsContact OG1-N 3.16Å; T156-S159 PolarHBondContact OG1-OG 3.34Å; T156-L160 WeakPolarHBondContact O-CB 3.13Å; T156-L160 PolarHBondContact O-N 2.94Å
157	S	83.9	Confident	72	Confident	50 Å²	50	69.4 Å²	69.4	35%	0.35	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-31.8	173.6	-59	0	0	0	0	112.3	S161 N269	S157-S161 VanDerWaalsContact O-CB 3.31Å; S157-S161 WeakPolarHBondContact O-CB 3.37Å; S157-S161 PolarHBondContact O-N 3.36Å; S157-S161 PolarHBondContact O-OG 3.43Å; S157-N269 WeakPolarHBondContact CA-O 3.29Å; S157-N269 VanDerWaalsContact CB-O 3.28Å; S157-N269 WeakPolarHBondContact CB-O 3.01Å; S157-N269 PolarHBondContact OG-N 2.91Å
158	S	83.9	Confident	74.2	Confident	67 Å²	67	69.3 Å²	69.3	47%	0.469	37%	0.367	S	S	.	.	H	α-helix	trans	-66.3	-53.1	175.2	-176	0	0	0	0	111.5	T156 L160 S161 N162	T156-S158 PolarHBondContact O-N 3.24Å; S158-L160 VanDerWaalsContact C-N 3.32Å; S158-L160 PolarHBondContact O-N 2.94Å; S158-S161 PolarHBondContact O-N 2.99Å; S158-S161 VanDerWaalsContact O-N 3.14Å; S158-N162 PolarHBondContact O-N 2.9Å
159	S	82.8	Confident	76.6	Confident	10 Å²	10	63.4 Å²	63.4	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-36.2	-178.3	63.9	0	0	0	0	112.1	T156 K163	T156-S159 PolarHBondContact N-OG 2.73Å; T156-S159 VanDerWaalsContact N-OG 3.08Å; T156-S159 PolarHBondContact O-N 3.34Å; T156-S159 PolarHBondContact O-OG 3.36Å; T156-S159 PolarHBondContact OG1-N 3.09Å; T156-S159 VanDerWaalsContact OG1-N 3.16Å; T156-S159 PolarHBondContact OG1-OG 3.34Å; S159-K163 VanDerWaalsContact O-CB 3.29Å; S159-K163 WeakPolarHBondContact O-CB 3.11Å; S159-K163 PolarHBondContact O-N 3.37Å
160	L	86	Confident	78.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-40.7	173.8	-173.9	65.4	0	0	0	112.1	L155 T156 S158 K163 Q164 L258 I261 V262 V268 T270	L155-L160 HydrophobicContact CD2-CB 3.83Å; L155-L160 HydrophobicContact CD2-CD1 3.44Å; L155-L160 VanDerWaalsContact CD2-CD1 3.44Å; L155-L160 HydrophobicContact CD2-CG 4.11Å; L155-L160 HydrophobicContact CG-CB 4.33Å; T156-L160 WeakPolarHBondContact O-CB 3.13Å; T156-L160 PolarHBondContact O-N 2.94Å; S158-L160 VanDerWaalsContact C-N 3.32Å; S158-L160 PolarHBondContact O-N 2.94Å; L160-K163 PolarHBondContact O-N 3.28Å; L160-Q164 PolarHBondContact O-N 3.42Å; L160-L258 HydrophobicContact CD1-CD2 3.49Å; L160-L258 VanDerWaalsContact CD1-CD2 3.49Å; L160-L258 HydrophobicContact CG-CD2 4.38Å; L160-I261 HydrophobicContact CD1-CD1 4.34Å; L160-I261 HydrophobicContact CD1-CG2 4.3Å; L160-I261 HydrophobicContact CD2-CG2 4.27Å; L160-V262 HydrophobicContact CD2-CG2 4.07Å; L160-V268 HydrophobicContact CB-CG1 4.28Å; L160-V268 HydrophobicContact CD2-CG1 3.61Å; L160-T270 HydrophobicContact CB-CG2 4.26Å; L160-T270 HydrophobicContact CD2-CG2 3.45Å; L160-T270 VanDerWaalsContact CD2-CG2 3.45Å; L160-T270 HydrophobicContact CG-CG2 3.46Å; L160-T270 VanDerWaalsContact CG-CG2 3.46Å
161	S	90	Very high	80.7	Confident	10 Å²	10	53.6 Å²	53.6	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-46.7	176.4	-61.1	0	0	0	0	111.7	S157 S158 K163 Q164 R165 T270 L271	S157-S161 VanDerWaalsContact O-CB 3.31Å; S157-S161 WeakPolarHBondContact O-CB 3.37Å; S157-S161 PolarHBondContact O-N 3.36Å; S157-S161 PolarHBondContact O-OG 3.43Å; S158-S161 PolarHBondContact O-N 2.99Å; S158-S161 VanDerWaalsContact O-N 3.14Å; S161-K163 VanDerWaalsContact C-N 3.33Å; S161-K163 PolarHBondContact O-N 2.88Å; S161-Q164 PolarHBondContact O-N 3.45Å; S161-R165 WeakPolarHBondContact O-CB 3.49Å; S161-R165 PolarHBondContact O-N 2.99Å; S161-T270 WeakPolarHBondContact OG-CA 3.25Å; S161-L271 PolarHBondContact OG-N 3.46Å
162	N	88.3	Confident	82.7	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-38.7	176.3	-76.8	-24.5	0	0	0	112.3	S158 R165 Y166 M367 D370	S158-N162 PolarHBondContact O-N 2.9Å; N162-R165 PolarHBondContact O-N 2.8Å; N162-Y166 WeakPolarHBondContact O-CB 3.39Å; N162-Y166 PolarHBondContact O-N 3.08Å; N162-M367 HydrophobicContact CB-CG 3.99Å; N162-D370 VanDerWaalsContact ND2-CB 3.34Å; N162-D370 WeakPolarHBondContact ND2-CB 3.41Å; N162-D370 PolarHBondContact ND2-OD2 3Å
163	K	86.5	Confident	84.6	Confident	31 Å²	31	47 Å²	47	14%	0.135	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-49.5	175.2	-179.1	170.4	-178.7	173.6	0	111.4	S159 L160 S161 R165 Y166 H167 L371	S159-K163 VanDerWaalsContact O-CB 3.29Å; S159-K163 WeakPolarHBondContact O-CB 3.11Å; S159-K163 PolarHBondContact O-N 3.37Å; L160-K163 PolarHBondContact O-N 3.28Å; S161-K163 VanDerWaalsContact C-N 3.33Å; S161-K163 PolarHBondContact O-N 2.88Å; K163-R165 PolarHBondContact O-N 2.92Å; K163-Y166 PolarHBondContact O-N 3.39Å; K163-H167 PolarHBondContact O-CD2 3.43Å; K163-H167 PolarHBondContact O-N 3.08Å; K163-L371 HydrophobicContact CB-CD2 4.09Å
164	Q	88.6	Confident	86.5	Confident	21 Å²	21	42.2 Å²	42.2	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-55.6	-45.2	175.4	177.1	163.2	14	0	0	110.8	L160 S161 Y166 H167 D168 L258 T270 E272	L160-Q164 PolarHBondContact O-N 3.42Å; S161-Q164 PolarHBondContact O-N 3.45Å; Q164-Y166 PolarHBondContact O-N 2.83Å; Q164-H167 PolarHBondContact O-N 2.9Å; Q164-D168 PolarHBondContact O-N 2.66Å; Q164-L258 HydrophobicContact CB-CD1 3.7Å; Q164-L258 HydrophobicContact CB-CD2 4.44Å; Q164-L258 VanDerWaalsContact CD-CD1 3.43Å; Q164-L258 HydrophobicContact CG-CD1 3.5Å; Q164-L258 VanDerWaalsContact CG-CD1 3.5Å; Q164-T270 VanDerWaalsContact OE1-CG2 3.23Å; Q164-T270 PolarHBondContact OE1-OG1 3.14Å; Q164-E272 VanDerWaalsContact NE2-CD 3.32Å; Q164-E272 PolarHBondContact NE2-OE2 3.37Å
165	R	90.6	Very high	88.2	Confident	8 Å²	8	34.6 Å²	34.6	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-42	-179.7	-169.4	57.1	153.9	149.3	12.3	114	S161 N162 K163 H167 D168 Y169 E203 E206 M367	S161-R165 WeakPolarHBondContact O-CB 3.49Å; S161-R165 PolarHBondContact O-N 2.99Å; N162-R165 PolarHBondContact O-N 2.8Å; K163-R165 PolarHBondContact O-N 2.92Å; R165-H167 VanDerWaalsContact C-N 3.33Å; R165-D168 PolarHBondContact O-N 3.4Å; R165-Y169 HydrophobicContact CG-CD2 4.2Å; R165-Y169 HydrophobicContact CG-CE2 4.09Å; R165-Y169 VanDerWaalsContact CZ-OH 3.26Å; R165-Y169 PolarHBondContact NH1-OH 2.64Å; R165-Y169 PolarHBondContact NH2-OH 3.32Å; R165-Y169 WeakPolarHBondContact O-CD2 3.47Å; R165-Y169 PolarHBondContact O-N 3.33Å; R165-E203 IonicContact CZ-OE1 3.2Å; R165-E203 IonicContact CZ-OE2 2.71Å; R165-E203 IonicContact NH1-OE1 3.12Å; R165-E203 PolarHBondContact NH1-OE1 2.95Å; R165-E203 IonicContact NH2-OE1 3Å; R165-E203 PolarHBondContact NH2-OE1 2.8Å; R165-E203 IonicContact NH2-OE2 2.87Å; R165-E203 PolarHBondContact NH2-OE2 3.41Å; R165-E206 WeakPolarHBondContact CD-OE1 3.36Å; R165-E206 WeakPolarHBondContact CG-OE1 3.46Å; R165-E206 IonicContact CZ-OE1 2.86Å; R165-E206 IonicContact CZ-OE2 3.55Å; R165-E206 VanDerWaalsContact CZ-OE2 3.25Å; R165-E206 VanDerWaalsContact NE-CD 3.29Å; R165-E206 IonicContact NE-OE1 3.23Å; R165-E206 PolarHBondContact NE-OE1 3.14Å; R165-E206 IonicContact NE-OE2 3.66Å; R165-E206 PolarHBondContact NE-OE2 2.93Å; R165-E206 IonicContact NH2-OE2 3.33Å; R165-E206 PolarHBondContact NH2-OE2 3.34Å; R165-M367 HydrophobicContact CB-SD 3.97Å; R165-M367 HydrophobicContact CG-SD 3.89Å
166	Y	90.7	Very high	89.4	Confident	44 Å²	44	33.5 Å²	33.5	17%	0.173	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-48.3	172.6	170.4	-91.2	0	0	0	110.6	V147 N162 K163 Q164 D168 Y169 Y170 F313 M367 F368 L371	V147-Y166 HydrophobicContact CG2-CE1 4.5Å; N162-Y166 WeakPolarHBondContact O-CB 3.39Å; N162-Y166 PolarHBondContact O-N 3.08Å; K163-Y166 PolarHBondContact O-N 3.39Å; Q164-Y166 PolarHBondContact O-N 2.83Å; Y166-D168 VanDerWaalsContact C-N 3.33Å; Y166-D168 PolarHBondContact O-N 3.05Å; Y166-Y169 PolarHBondContact O-N 3.06Å; Y166-Y170 HydrophobicContact CE1-CG 4.37Å; Y166-Y170 WeakPolarHBondContact O-CB 3.41Å; Y166-Y170 PolarHBondContact O-N 2.99Å; Y166-F313 HydrophobicContact CD2-CE1 4.13Å; Y166-F313 HydrophobicContact CD2-CE2 4.23Å; Y166-F313 AromaticContact CD2-CZ 3.54Å; Y166-F313 HydrophobicContact CD2-CZ 3.54Å; Y166-F313 AromaticContact CE2-CE2 3.95Å; Y166-F313 HydrophobicContact CE2-CE2 3.95Å; Y166-F313 AromaticContact CE2-CZ 3.73Å; Y166-F313 HydrophobicContact CE2-CZ 3.73Å; Y166-F313 HydrophobicContact CG-CZ 4.28Å; Y166-M367 HydrophobicContact CD2-CE 4.21Å; Y166-F368 AromaticContact CD2-CE1 3.98Å; Y166-F368 HydrophobicContact CD2-CE1 3.98Å; Y166-F368 HydrophobicContact CD2-CZ 4.16Å; Y166-F368 AromaticContact CE2-CE1 3.65Å; Y166-F368 HydrophobicContact CE2-CE1 3.65Å; Y166-F368 AromaticContact CE2-CZ 3.96Å; Y166-F368 HydrophobicContact CE2-CZ 3.96Å; Y166-L371 HydrophobicContact CD2-CD1 3.98Å; Y166-L371 HydrophobicContact CG-CD1 3.83Å
167	H	88	Confident	90.1	Very high	79 Å²	79	34.1 Å²	34.1	37%	0.366	17%	0.169	S	C	.	.	H	α-helix	trans	-60.6	-39.8	179.1	-80.1	-72.4	0	0	0	112.6	K163 Q164 R165 Y170 R171	K163-H167 PolarHBondContact O-CD2 3.43Å; K163-H167 PolarHBondContact O-N 3.08Å; Q164-H167 PolarHBondContact O-N 2.9Å; R165-H167 VanDerWaalsContact C-N 3.33Å; H167-Y170 PolarHBondContact O-N 3.28Å; H167-R171 WeakPolarHBondContact O-CB 3.31Å; H167-R171 PolarHBondContact O-N 2.92Å
168	D	91.2	Very high	90.6	Very high	58 Å²	58	31.7 Å²	31.7	31%	0.31	15%	0.153	S	C	.	.	H	α-helix	trans	-60.4	-50.4	178.1	-76.4	-20.9	0	0	0	112.6	Q164 R165 Y166 L172	Q164-D168 PolarHBondContact O-N 2.66Å; R165-D168 PolarHBondContact O-N 3.4Å; Y166-D168 VanDerWaalsContact C-N 3.33Å; Y166-D168 PolarHBondContact O-N 3.05Å; D168-L172 WeakPolarHBondContact O-CB 3.25Å; D168-L172 PolarHBondContact O-N 3.33Å
169	Y	92.2	Very high	91.2	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-69.2	-40.6	178.7	-79.1	-61.3	0	0	0	112.2	R165 Y166 L172 N173 E203 Q215 F313 C314 F316	R165-Y169 HydrophobicContact CG-CD2 4.2Å; R165-Y169 HydrophobicContact CG-CE2 4.09Å; R165-Y169 VanDerWaalsContact CZ-OH 3.26Å; R165-Y169 PolarHBondContact NH1-OH 2.64Å; R165-Y169 PolarHBondContact NH2-OH 3.32Å; R165-Y169 WeakPolarHBondContact O-CD2 3.47Å; R165-Y169 PolarHBondContact O-N 3.33Å; Y166-Y169 PolarHBondContact O-N 3.06Å; Y169-L172 PolarHBondContact O-N 3.11Å; Y169-N173 VanDerWaalsContact O-CG 3.25Å; Y169-N173 PolarHBondContact O-N 3.02Å; Y169-N173 PolarHBondContact O-ND2 2.77Å; Y169-E203 PolarHBondContact OH-OE1 2.69Å; Y169-E203 PolarHBondContact OH-OE2 3.09Å; Y169-E203 VanDerWaalsContact OH-OE2 3.11Å; Y169-Q215 PolarHBondContact OH-OE1 2.71Å; Y169-F313 HydrophobicContact CD2-CE1 4.17Å; Y169-F313 HydrophobicContact CG-CD1 4.4Å; Y169-F313 HydrophobicContact CG-CE1 4.08Å; Y169-C314 HydrophobicContact CD1-CB 3.8Å; Y169-C314 HydrophobicContact CD2-CB 4.42Å; Y169-C314 HydrophobicContact CE1-CB 3.56Å; Y169-C314 HydrophobicContact CE2-CB 4.19Å; Y169-C314 HydrophobicContact CG-CB 4.23Å; Y169-F316 WeakPolarHBondContact OH-CE2 3.32Å
170	Y	90.8	Very high	91.8	Very high	47 Å²	47	32.2 Å²	32.2	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-50.6	176.9	-174.9	-110.8	0	0	0	110.9	E143 Y166 H167 L172 N173 L174 F313	E143-Y170 PolarHBondContact O-OH 2.78Å; Y166-Y170 HydrophobicContact CE1-CG 4.37Å; Y166-Y170 WeakPolarHBondContact O-CB 3.41Å; Y166-Y170 PolarHBondContact O-N 2.99Å; H167-Y170 PolarHBondContact O-N 3.28Å; Y170-L172 VanDerWaalsContact C-N 3.31Å; Y170-L172 PolarHBondContact O-N 2.9Å; Y170-N173 WeakPolarHBondContact O-CB 3.23Å; Y170-N173 PolarHBondContact O-N 2.81Å; Y170-N173 VanDerWaalsContact O-N 3.14Å; Y170-L174 HydrophobicContact CD1-CD1 3.96Å; Y170-L174 HydrophobicContact CD1-CG 4.37Å; Y170-L174 HydrophobicContact CE1-CD1 3.58Å; Y170-L174 HydrophobicContact CE1-CD2 4.34Å; Y170-L174 HydrophobicContact CE1-CG 4.09Å; Y170-L174 WeakPolarHBondContact O-CG 3.4Å; Y170-L174 PolarHBondContact O-N 2.87Å; Y170-F313 HydrophobicContact CD2-CE2 4.5Å
171	R	92	Very high	92.2	Very high	93 Å²	93	39 Å²	39	35%	0.351	18%	0.175	S	C	.	.	H	α-helix	trans	-58.1	-43.5	175.6	-176.4	-178.9	178.6	141.5	15.5	111.3	L112 E114 H167 N173 L174 L175	L112-R171 HydrophobicContact CD2-CG 4.46Å; E114-R171 VanDerWaalsContact CD-CZ 3.43Å; E114-R171 IonicContact OE1-CZ 3.39Å; E114-R171 IonicContact OE1-NE 3.37Å; E114-R171 PolarHBondContact OE1-NE 2.83Å; E114-R171 IonicContact OE1-NH1 3.7Å; E114-R171 PolarHBondContact OE1-NH1 2.98Å; E114-R171 IonicContact OE1-NH2 3.87Å; E114-R171 PolarHBondContact OE1-NH2 3.28Å; E114-R171 IonicContact OE2-CZ 3.23Å; E114-R171 VanDerWaalsContact OE2-CZ 3.28Å; E114-R171 IonicContact OE2-NH1 3.48Å; E114-R171 PolarHBondContact OE2-NH1 3.1Å; E114-R171 IonicContact OE2-NH2 3.13Å; E114-R171 PolarHBondContact OE2-NH2 2.98Å; H167-R171 WeakPolarHBondContact O-CB 3.31Å; H167-R171 PolarHBondContact O-N 2.92Å; R171-N173 VanDerWaalsContact C-N 3.34Å; R171-N173 PolarHBondContact O-N 2.78Å; R171-L174 WeakPolarHBondContact O-CB 3.3Å; R171-L174 PolarHBondContact O-N 2.95Å; R171-L175 WeakPolarHBondContact O-CG 3.4Å; R171-L175 PolarHBondContact O-N 2.94Å
172	L	94.2	Very high	92.4	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.094	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-44.6	176.5	-175.8	56	0	0	0	111.6	D168 Y169 Y170 L174 L175 I176 L187 M189 Y223 I228	D168-L172 WeakPolarHBondContact O-CB 3.25Å; D168-L172 PolarHBondContact O-N 3.33Å; Y169-L172 PolarHBondContact O-N 3.11Å; Y170-L172 VanDerWaalsContact C-N 3.31Å; Y170-L172 PolarHBondContact O-N 2.9Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.91Å; L172-L175 PolarHBondContact O-N 2.98Å; L172-I176 WeakPolarHBondContact O-CG1 3.38Å; L172-I176 PolarHBondContact O-N 3.45Å; L172-L187 HydrophobicContact CD1-CD2 4.45Å; L172-M189 HydrophobicContact CD1-CE 4.39Å; L172-M189 HydrophobicContact CD1-SD 3.8Å; L172-Y223 HydrophobicContact CD2-CE2 4.24Å; L172-Y223 WeakPolarHBondContact CD2-OH 3.42Å; L172-I228 HydrophobicContact CD1-CD1 3.83Å; L172-I228 HydrophobicContact CD2-CD1 4.24Å; L172-I228 HydrophobicContact CG-CD1 4.38Å
173	N	93.3	Very high	92.7	Very high	25 Å²	25	44.5 Å²	44.5	13%	0.134	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-39	175.9	-68.9	-22.4	0	0	0	112.1	Y169 Y170 R171 I176 K177 Y223 F313	Y169-N173 VanDerWaalsContact O-CG 3.25Å; Y169-N173 PolarHBondContact O-N 3.02Å; Y169-N173 PolarHBondContact O-ND2 2.77Å; Y170-N173 WeakPolarHBondContact O-CB 3.23Å; Y170-N173 PolarHBondContact O-N 2.81Å; Y170-N173 VanDerWaalsContact O-N 3.14Å; R171-N173 VanDerWaalsContact C-N 3.34Å; R171-N173 PolarHBondContact O-N 2.78Å; N173-I176 PolarHBondContact O-N 3.18Å; N173-K177 WeakPolarHBondContact O-CG 3.45Å; N173-K177 PolarHBondContact O-N 3.35Å; N173-Y223 WeakPolarHBondContact OD1-CE1 3.29Å; N173-F313 PolarHBondContact ND2-O 2.77Å
174	L	93.5	Very high	93.2	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-44.1	173.1	-65.3	-180	0	0	0	111.9	L112 L141 I144 Y170 R171 L172 I176 K177 C178	L112-L174 HydrophobicContact CD2-CB 3.74Å; L112-L174 HydrophobicContact CD2-CD1 4.03Å; L141-L174 HydrophobicContact CD1-CB 3.97Å; L141-L174 HydrophobicContact CD1-CD2 3.64Å; L141-L174 HydrophobicContact CD1-CG 4.3Å; I144-L174 HydrophobicContact CG1-CD1 4.15Å; Y170-L174 HydrophobicContact CD1-CD1 3.96Å; Y170-L174 HydrophobicContact CD1-CG 4.37Å; Y170-L174 HydrophobicContact CE1-CD1 3.58Å; Y170-L174 HydrophobicContact CE1-CD2 4.34Å; Y170-L174 HydrophobicContact CE1-CG 4.09Å; Y170-L174 WeakPolarHBondContact O-CG 3.4Å; Y170-L174 PolarHBondContact O-N 2.87Å; R171-L174 WeakPolarHBondContact O-CB 3.3Å; R171-L174 PolarHBondContact O-N 2.95Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.91Å; L174-I176 VanDerWaalsContact C-N 3.28Å; L174-I176 PolarHBondContact O-N 3.02Å; L174-K177 WeakPolarHBondContact O-CB 3.36Å; L174-K177 PolarHBondContact O-N 2.93Å; L174-K177 VanDerWaalsContact O-N 3.16Å; L174-C178 PolarHBondContact O-N 3.48Å; L174-C178 PolarHBondContact O-SG 3.26Å; L174-C178 VanDerWaalsContact O-SG 3.33Å
175	L	95.8	Very high	93.6	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-36.9	176.1	-65.7	175.6	0	0	0	112	A75 F110 L112 R171 L172 C178 T179 L187	A75-L175 HydrophobicContact CB-CD1 4.28Å; A75-L175 HydrophobicContact CB-CD2 4.02Å; F110-L175 HydrophobicContact CE2-CD2 3.65Å; F110-L175 HydrophobicContact CZ-CB 4.48Å; F110-L175 HydrophobicContact CZ-CD2 3.9Å; L112-L175 HydrophobicContact CB-CD2 4Å; L112-L175 HydrophobicContact CD2-CD2 4.12Å; R171-L175 WeakPolarHBondContact O-CG 3.4Å; R171-L175 PolarHBondContact O-N 2.94Å; L172-L175 PolarHBondContact O-N 2.98Å; L175-C178 PolarHBondContact O-N 3.2Å; L175-T179 PolarHBondContact O-N 2.85Å; L175-T179 PolarHBondContact O-OG1 3.1Å; L175-L187 HydrophobicContact CB-CD2 3.74Å
176	I	95.5	Very high	93.9	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.062	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-45.8	173.5	-65.5	-68.7	0	0	0	110.8	L172 N173 L174 C178 T179 K180 L187 Y223 I226 I228	L172-I176 WeakPolarHBondContact O-CG1 3.38Å; L172-I176 PolarHBondContact O-N 3.45Å; N173-I176 PolarHBondContact O-N 3.18Å; L174-I176 VanDerWaalsContact C-N 3.28Å; L174-I176 PolarHBondContact O-N 3.02Å; I176-C178 VanDerWaalsContact C-N 3.35Å; I176-C178 PolarHBondContact O-N 3.23Å; I176-T179 WeakPolarHBondContact O-CB 3.48Å; I176-T179 PolarHBondContact O-N 3.29Å; I176-K180 PolarHBondContact O-N 3.33Å; I176-L187 HydrophobicContact CD1-CB 4.48Å; I176-L187 HydrophobicContact CD1-CD2 3.73Å; I176-L187 HydrophobicContact CG1-CD2 4.27Å; I176-Y223 HydrophobicContact CB-CD1 4.49Å; I176-Y223 HydrophobicContact CD1-CD1 4.22Å; I176-Y223 HydrophobicContact CD1-CD2 4.09Å; I176-Y223 HydrophobicContact CD1-CG 3.86Å; I176-Y223 HydrophobicContact CG1-CD1 3.84Å; I176-Y223 HydrophobicContact CG1-CD2 4.43Å; I176-Y223 HydrophobicContact CG1-CE1 4.07Å; I176-Y223 HydrophobicContact CG1-CG 4.01Å; I176-Y223 HydrophobicContact CG2-CD1 4.2Å; I176-I226 HydrophobicContact CD1-CB 4.03Å; I176-I226 HydrophobicContact CD1-CG2 3.52Å; I176-I226 HydrophobicContact CG2-CB 4.34Å; I176-I226 HydrophobicContact CG2-CG1 4.14Å; I176-I228 HydrophobicContact CD1-CD1 4.14Å; I176-I228 HydrophobicContact CD1-CG1 3.9Å
177	K	94	Very high	94.3	Very high	93 Å²	93	48.6 Å²	48.6	40%	0.404	22%	0.221	S	C	.	.	H	α-helix	trans	-58.7	-44.4	174.4	-71.3	-176.7	-177.2	-173.7	0	111.8	E143 N173 L174 T179 K180 K181	E143-K177 IonicContact OE1-NZ 3.72Å; E143-K177 PolarHBondContact OE1-NZ 2.95Å; E143-K177 IonicContact OE2-NZ 3.69Å; E143-K177 PolarHBondContact OE2-NZ 2.94Å; N173-K177 WeakPolarHBondContact O-CG 3.45Å; N173-K177 PolarHBondContact O-N 3.35Å; L174-K177 WeakPolarHBondContact O-CB 3.36Å; L174-K177 PolarHBondContact O-N 2.93Å; L174-K177 VanDerWaalsContact O-N 3.16Å; K177-T179 VanDerWaalsContact C-N 3.34Å; K177-T179 PolarHBondContact O-N 3.23Å; K177-K180 PolarHBondContact O-N 2.61Å; K177-K181 PolarHBondContact O-N 2.68Å
178	C	95.3	Very high	94.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-44.4	174.7	-70.9	0	0	0	0	111.9	F110 I139 L174 L175 I176 K180 K181 L182	F110-C178 HydrophobicContact CD2-CB 3.94Å; F110-C178 HydrophobicContact CE2-CB 3.43Å; F110-C178 VanDerWaalsContact CE2-CB 3.43Å; F110-C178 HydrophobicContact CZ-CB 3.86Å; I139-C178 HydrophobicContact CD1-CB 3.87Å; L174-C178 PolarHBondContact O-N 3.48Å; L174-C178 PolarHBondContact O-SG 3.26Å; L174-C178 VanDerWaalsContact O-SG 3.33Å; L175-C178 PolarHBondContact O-N 3.2Å; I176-C178 VanDerWaalsContact C-N 3.35Å; I176-C178 PolarHBondContact O-N 3.23Å; C178-K180 VanDerWaalsContact C-N 3.33Å; C178-K180 PolarHBondContact O-N 3.38Å; C178-K181 WeakPolarHBondContact O-CB 3.33Å; C178-K181 PolarHBondContact O-N 3.11Å; C178-L182 WeakPolarHBondContact O-CG 3.21Å; C178-L182 PolarHBondContact O-N 3.36Å
179	T	96.7	Very high	95	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-43.4	178.2	-56.2	0	0	0	0	111.4	A73 L175 I176 K177 L182 N183 C184 L187 I226	A73-T179 HydrophobicContact CB-CG2 3.98Å; L175-T179 PolarHBondContact O-N 2.85Å; L175-T179 PolarHBondContact O-OG1 3.1Å; I176-T179 WeakPolarHBondContact O-CB 3.48Å; I176-T179 PolarHBondContact O-N 3.29Å; K177-T179 VanDerWaalsContact C-N 3.34Å; K177-T179 PolarHBondContact O-N 3.23Å; T179-L182 PolarHBondContact O-N 3.29Å; T179-N183 PolarHBondContact O-N 2.95Å; T179-C184 HydrophobicContact CG2-CB 3.81Å; T179-C184 PolarHBondContact O-N 2.89Å; T179-C184 VanDerWaalsContact O-N 3.14Å; T179-L187 HydrophobicContact CG2-CB 4.17Å; T179-I226 HydrophobicContact CG2-CD1 3.85Å; T179-I226 HydrophobicContact CG2-CG1 4.5Å; T179-I226 HydrophobicContact CG2-CG2 4.02Å
180	K	94.8	Very high	95.2	Very high	88 Å²	88	43.3 Å²	43.3	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-44.7	173.8	-69.4	-172.4	179.6	-159.2	0	111.9	I176 K177 C178 L182 N183 D225 I226	I176-K180 PolarHBondContact O-N 3.33Å; K177-K180 PolarHBondContact O-N 2.61Å; C178-K180 VanDerWaalsContact C-N 3.33Å; C178-K180 PolarHBondContact O-N 3.38Å; K180-L182 PolarHBondContact O-N 3.12Å; K180-N183 PolarHBondContact O-N 3.15Å; K180-D225 IonicContact NZ-OD2 3.41Å; K180-D225 PolarHBondContact NZ-OD2 3.5Å; K180-I226 HydrophobicContact CD-CG1 4.42Å; K180-I226 HydrophobicContact CG-CD1 3.86Å; K180-I226 HydrophobicContact CG-CG1 3.76Å
181	K	93.8	Very high	95.5	Very high	141 Å²	141	41.5 Å²	41.5	61%	0.613	19%	0.192	S	C	*	.	H	α-helix	trans	-58.9	-31.1	177	-175	175.9	179.6	176.3	0	112.8	K177 C178 N183	K177-K181 PolarHBondContact O-N 2.68Å; C178-K181 WeakPolarHBondContact O-CB 3.33Å; C178-K181 PolarHBondContact O-N 3.11Å; K181-N183 VanDerWaalsContact C-N 3.27Å; K181-N183 PolarHBondContact O-N 3.19Å
182	L	94.8	Very high	95.7	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2	177	-65.4	176.4	0	0	0	114	A73 K108 F110 Y137 I139 C178 T179 K180 C184	A73-L182 HydrophobicContact CB-CD1 4.15Å; K108-L182 HydrophobicContact CD-CB 4.24Å; K108-L182 PolarHBondContact NZ-O 3.11Å; F110-L182 HydrophobicContact CB-CD1 3.83Å; F110-L182 HydrophobicContact CD1-CD1 3.67Å; F110-L182 HydrophobicContact CE1-CD1 4.45Å; F110-L182 HydrophobicContact CG-CD1 3.85Å; Y137-L182 HydrophobicContact CD1-CD2 3.9Å; Y137-L182 HydrophobicContact CD2-CD1 4.39Å; Y137-L182 HydrophobicContact CD2-CD2 3.47Å; Y137-L182 VanDerWaalsContact CD2-CD2 3.47Å; Y137-L182 HydrophobicContact CE1-CD2 4Å; Y137-L182 HydrophobicContact CE2-CD2 3.61Å; Y137-L182 HydrophobicContact CG-CD2 3.61Å; I139-L182 HydrophobicContact CD1-CD1 4.12Å; I139-L182 HydrophobicContact CD1-CD2 4.24Å; I139-L182 HydrophobicContact CD1-CG 4.15Å; C178-L182 WeakPolarHBondContact O-CG 3.21Å; C178-L182 PolarHBondContact O-N 3.36Å; T179-L182 PolarHBondContact O-N 3.29Å; K180-L182 PolarHBondContact O-N 3.12Å; L182-C184 PolarHBondContact O-N 3.02Å
183	N	95.2	Very high	95.8	Very high	142 Å²	142	36.6 Å²	36.6	76%	0.759	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	35.2	-173.9	-61.6	-44.9	0	0	0	113.2	T179 K180 K181	T179-N183 PolarHBondContact O-N 2.95Å; K180-N183 PolarHBondContact O-N 3.15Å; K181-N183 VanDerWaalsContact C-N 3.27Å; K181-N183 PolarHBondContact O-N 3.19Å
184	C	96.1	Very high	95.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	17%	0.172	C	C	.	.			trans	-101.9	148.6	175.5	-65.9	0	0	0	0	110.6	N71 A73 T179 L182 I226	N71-C184 WeakPolarHBondContact O-CB 3.42Å; N71-C184 VanDerWaalsContact OD1-CA 3.3Å; N71-C184 WeakPolarHBondContact OD1-CA 3.05Å; A73-C184 HydrophobicContact CB-CB 3.9Å; T179-C184 HydrophobicContact CG2-CB 3.81Å; T179-C184 PolarHBondContact O-N 2.89Å; T179-C184 VanDerWaalsContact O-N 3.14Å; L182-C184 PolarHBondContact O-N 3.02Å; C184-I226 WeakPolarHBondContact O-CD1 3.45Å
185	K	96.9	Very high	95.9	Very high	127 Å²	127	42.1 Å²	42.1	55%	0.552	19%	0.193	S	C	*	.	S	Bend	trans	-99.5	-13.3	174.6	-64.7	-171.6	-177.7	-173.4	0	113.7	N71 I226 T227	N71-K185 WeakPolarHBondContact ND2-CB 3.14Å; N71-K185 WeakPolarHBondContact ND2-CD 3.43Å; N71-K185 VanDerWaalsContact ND2-CG 3.31Å; N71-K185 WeakPolarHBondContact ND2-CG 3.41Å; N71-K185 PolarHBondContact O-N 2.77Å; N71-K185 PolarHBondContact OD1-N 3.13Å; K185-I226 VanDerWaalsContact O-CA 3.31Å; K185-I226 WeakPolarHBondContact O-CA 3.43Å; K185-T227 PolarHBondContact O-N 3.44Å
186	Y	98	Very high	95.9	Very high	57 Å²	57	41.3 Å²	41.3	22%	0.224	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128	-178.2	-61	-88.1	0	0	0	110.7	I68 N71 M72 A73 T227 V229	I68-Y186 HydrophobicContact CB-CD2 4.11Å; I68-Y186 HydrophobicContact CB-CE2 3.73Å; I68-Y186 HydrophobicContact CD1-CD1 3.73Å; I68-Y186 HydrophobicContact CD1-CD2 4Å; I68-Y186 HydrophobicContact CD1-CE1 3.53Å; I68-Y186 HydrophobicContact CD1-CE2 3.82Å; I68-Y186 HydrophobicContact CD1-CG 3.96Å; I68-Y186 HydrophobicContact CG1-CE2 4.34Å; I68-Y186 HydrophobicContact CG2-CE2 3.95Å; N71-Y186 HydrophobicContact CB-CD2 4.32Å; N71-Y186 PolarHBondContact O-N 3.01Å; N71-Y186 VanDerWaalsContact O-N 3.08Å; M72-Y186 CarbonylContact C-O 3.08Å; M72-Y186 WeakPolarHBondContact CA-O 3.3Å; A73-Y186 PolarHBondContact N-O 3.42Å; Y186-T227 CarbonylContact C-O 3.46Å; Y186-T227 VanDerWaalsContact CA-O 3.3Å; Y186-T227 WeakPolarHBondContact CA-O 3.46Å; Y186-T227 HydrophobicContact CD1-CG2 4.19Å; Y186-T227 HydrophobicContact CE1-CG2 4.28Å; Y186-V229 HydrophobicContact CD1-CG2 3.92Å
187	L	98.1	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.4	172.1	169.6	55.2	0	0	0	108.8	A75 F110 L172 L175 I176 T179 M189 I226 T227 I228 V229	A75-L187 HydrophobicContact CB-CD1 3.75Å; F110-L187 HydrophobicContact CE1-CD1 4.04Å; F110-L187 HydrophobicContact CZ-CD1 4.02Å; L172-L187 HydrophobicContact CD1-CD2 4.45Å; L175-L187 HydrophobicContact CB-CD2 3.74Å; I176-L187 HydrophobicContact CD1-CB 4.48Å; I176-L187 HydrophobicContact CD1-CD2 3.73Å; I176-L187 HydrophobicContact CG1-CD2 4.27Å; T179-L187 HydrophobicContact CG2-CB 4.17Å; L187-M189 HydrophobicContact CD1-CG 4.42Å; L187-M189 HydrophobicContact CD2-CG 4.49Å; L187-M189 HydrophobicContact CD2-SD 4.36Å; L187-M189 HydrophobicContact CG-CG 4.11Å; L187-I226 HydrophobicContact CB-CG2 3.94Å; L187-T227 PolarHBondContact N-O 2.91Å; L187-I228 HydrophobicContact CB-CG1 4.36Å; L187-I228 HydrophobicContact CD2-CG1 4.22Å; L187-I228 CarbonylContact O-C 3.48Å; L187-I228 VanDerWaalsContact O-CA 3.29Å; L187-I228 WeakPolarHBondContact O-CA 3.47Å; L187-V229 PolarHBondContact O-N 3.15Å
188	M	97.8	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.3	177.4	-167.5	-173.2	-101.5	0	0	111.5	F60 L65 M72 A73 I74 A75 L85 I89 V229 P231	F60-M188 HydrophobicContact CE1-CE 4.15Å; F60-M188 HydrophobicContact CE2-CE 4.19Å; F60-M188 HydrophobicContact CZ-CE 3.45Å; F60-M188 VanDerWaalsContact CZ-CE 3.45Å; L65-M188 HydrophobicContact CD1-CE 4.39Å; M72-M188 HydrophobicContact CE-CB 4.27Å; M72-M188 HydrophobicContact CE-CE 3.72Å; M72-M188 HydrophobicContact CG-CB 3.73Å; M72-M188 HydrophobicContact SD-CB 3.64Å; M72-M188 HydrophobicContact SD-CE 3.04Å; M72-M188 WeakPolarHBondContact SD-CE 3.01Å; M72-M188 HydrophobicContact SD-CG 4Å; M72-M188 HydrophobicContact SD-SD 3.72Å; A73-M188 PolarHBondContact O-N 3.39Å; I74-M188 HydrophobicContact CD1-SD 4.41Å; I74-M188 HydrophobicContact CG1-CB 4.25Å; I74-M188 HydrophobicContact CG1-SD 4.04Å; A75-M188 PolarHBondContact N-O 3.33Å; L85-M188 HydrophobicContact CD1-SD 4.25Å; L85-M188 HydrophobicContact CD2-CG 3.97Å; L85-M188 HydrophobicContact CD2-SD 4.04Å; L85-M188 HydrophobicContact CG-SD 4.35Å; I89-M188 HydrophobicContact CD1-CE 3.85Å; I89-M188 HydrophobicContact CD1-SD 3.25Å; I89-M188 WeakPolarHBondContact CD1-SD 3.35Å; M188-V229 WeakPolarHBondContact CA-O 3.02Å; M188-P231 HydrophobicContact CE-CG 3.44Å; M188-P231 VanDerWaalsContact CE-CG 3.44Å; M188-P231 HydrophobicContact CG-CG 3.72Å; M188-P231 HydrophobicContact SD-CG 3.82Å
189	M	97.1	Very high	95.9	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.094	18%	0.176	C	C	.	.			trans	-121.4	146.5	-177.3	-67.6	178.6	53.1	0	0	112.8	L172 L187 D191 I228 V229	L172-M189 HydrophobicContact CD1-CE 4.39Å; L172-M189 HydrophobicContact CD1-SD 3.8Å; L187-M189 HydrophobicContact CD1-CG 4.42Å; L187-M189 HydrophobicContact CD2-CG 4.49Å; L187-M189 HydrophobicContact CD2-SD 4.36Å; L187-M189 HydrophobicContact CG-CG 4.11Å; M189-D191 VanDerWaalsContact CE-OD2 3.22Å; M189-D191 WeakPolarHBondContact CE-OD2 3.31Å; M189-D191 PolarHBondContact O-N 2.87Å; M189-D191 VanDerWaalsContact O-N 3.17Å; M189-I228 HydrophobicContact CG-CG2 4.1Å; M189-I228 HydrophobicContact SD-CG2 3.55Å; M189-I228 VanDerWaalsContact SD-CG2 3.55Å; M189-V229 PolarHBondContact N-O 2.7Å
190	G	96.5	Very high	95.8	Very high	11 Å²	11	39.1 Å²	39.1	11%	0.113	18%	0.179	C	C	.	.			trans	-80.4	26.5	177.1	0	0	0	0	0	115.3	N81 C192	N81-G190 VanDerWaalsContact CB-O 3.25Å; N81-G190 WeakPolarHBondContact CB-O 3.27Å; N81-G190 PolarHBondContact ND2-O 3.26Å; G190-C192 PolarHBondContact O-N 3Å
191	D	96.2	Very high	95.7	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.048	17%	0.169	C	C	.	.			trans	-69.4	126.2	-179	-81.5	-27	0	0	0	111.5	M189 M196 K199 R230 L232 R233	M189-D191 VanDerWaalsContact CE-OD2 3.22Å; M189-D191 WeakPolarHBondContact CE-OD2 3.31Å; M189-D191 PolarHBondContact O-N 2.87Å; M189-D191 VanDerWaalsContact O-N 3.17Å; D191-M196 HydrophobicContact CB-CG 4.22Å; D191-M196 HydrophobicContact CB-SD 3.43Å; D191-M196 WeakPolarHBondContact CB-SD 3.15Å; D191-K199 IonicContact OD1-NZ 3.24Å; D191-K199 PolarHBondContact OD1-NZ 2.86Å; D191-K199 IonicContact OD2-NZ 2.8Å; D191-K199 PolarHBondContact OD2-NZ 2.82Å; D191-R230 HydrophobicContact CB-CG 4.29Å; D191-R230 IonicContact OD2-NE 3.69Å; D191-R230 PolarHBondContact OD2-NE 3.47Å; D191-L232 CarbonylContact O-C 3.51Å; D191-L232 WeakPolarHBondContact O-CB 3.05Å; D191-R233 PolarHBondContact O-N 3.45Å; D191-R233 VanDerWaalsContact O-N 3.08Å
192	C	96.2	Very high	95.7	Very high	2 Å²	2	30 Å²	30	1%	0.014	14%	0.141	C	C	.	.			trans	-96.4	166.9	177.9	73.2	0	0	0	0	112.8	G190 N194 R195 M196 L232 I240	G190-C192 PolarHBondContact O-N 3Å; C192-N194 VanDerWaalsContact C-N 3.28Å; C192-N194 PolarHBondContact O-N 3.45Å; C192-R195 PolarHBondContact O-N 3.43Å; C192-M196 WeakPolarHBondContact O-CG 3.47Å; C192-M196 PolarHBondContact O-N 3.43Å; C192-L232 WeakPolarHBondContact CA-O 3.17Å; C192-I240 HydrophobicContact CB-CD1 3.28Å
193	S	95.4	Very high	95.5	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-52.9	-42.1	-179.2	57.7	0	0	0	0	113.5	M196 T197 R233 F235 L236 T291	S193-M196 PolarHBondContact O-N 3.49Å; S193-T197 WeakPolarHBondContact O-CB 3.48Å; S193-T197 PolarHBondContact O-N 2.95Å; S193-T197 PolarHBondContact O-OG1 3.49Å; S193-R233 WeakPolarHBondContact CA-O 3.45Å; S193-R233 WeakPolarHBondContact CB-O 3.24Å; S193-R233 PolarHBondContact N-O 3.23Å; S193-F235 WeakPolarHBondContact CB-O 3.45Å; S193-F235 PolarHBondContact N-O 2.9Å; S193-F235 VanDerWaalsContact OG-C 3.31Å; S193-F235 PolarHBondContact OG-O 3.38Å; S193-L236 WeakPolarHBondContact OG-CA 3.3Å; S193-T291 WeakPolarHBondContact O-CG2 3.42Å
194	N	95	Very high	95.2	Very high	21 Å²	21	26.4 Å²	26.4	11%	0.112	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-48.2	176.4	-73.2	78.2	0	0	0	111.5	C192 M196 T197 V198 A237 L279 Q283	C192-N194 VanDerWaalsContact C-N 3.28Å; C192-N194 PolarHBondContact O-N 3.45Å; N194-M196 PolarHBondContact O-N 2.91Å; N194-T197 WeakPolarHBondContact O-CB 3.29Å; N194-T197 PolarHBondContact O-N 3.21Å; N194-V198 WeakPolarHBondContact O-CG2 3.41Å; N194-V198 PolarHBondContact O-N 3Å; N194-A237 HydrophobicContact CB-CB 4.08Å; N194-A237 PolarHBondContact OD1-N 2.93Å; N194-L279 HydrophobicContact CB-CD2 4.44Å; N194-Q283 PolarHBondContact ND2-OE1 3.47Å
195	R	94.7	Very high	94.8	Very high	126 Å²	126	30.5 Å²	30.5	48%	0.475	14%	0.142	S	C	.	.	H	α-helix	trans	-63	-41.5	177.6	-73.1	-172.1	175.8	-157.5	-4.3	111.8	C192 T197 V198 K199	C192-R195 PolarHBondContact O-N 3.43Å; R195-T197 VanDerWaalsContact C-N 3.31Å; R195-T197 PolarHBondContact O-N 3.36Å; R195-V198 PolarHBondContact O-N 3.29Å; R195-K199 WeakPolarHBondContact O-CG 3.43Å; R195-K199 PolarHBondContact O-N 2.87Å
196	M	95.2	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-36	176.7	-62.4	-43.5	-63.5	0	0	112.4	D191 C192 S193 N194 K199 Y200 Q215 T216 R230 R233 L295	D191-M196 HydrophobicContact CB-CG 4.22Å; D191-M196 HydrophobicContact CB-SD 3.43Å; D191-M196 WeakPolarHBondContact CB-SD 3.15Å; C192-M196 WeakPolarHBondContact O-CG 3.47Å; C192-M196 PolarHBondContact O-N 3.43Å; S193-M196 PolarHBondContact O-N 3.49Å; N194-M196 PolarHBondContact O-N 2.91Å; M196-K199 HydrophobicContact CE-CD 4.43Å; M196-K199 HydrophobicContact SD-CD 4.24Å; M196-Y200 WeakPolarHBondContact O-CB 3.45Å; M196-Y200 PolarHBondContact O-N 3.28Å; M196-Q215 WeakPolarHBondContact CE-O 3.31Å; M196-T216 VanDerWaalsContact CE-CA 3.42Å; M196-T216 HydrophobicContact CE-CG2 4.28Å; M196-R230 VanDerWaalsContact SD-CD 3.5Å; M196-R233 HydrophobicContact CG-CG 4.11Å; M196-L295 HydrophobicContact CB-CD1 4.24Å; M196-L295 HydrophobicContact CB-CD2 3.76Å
197	T	95.5	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-42.9	176.7	-59	0	0	0	0	111.3	S193 N194 R195 Y200 L201 L279 T291 I294 L295	S193-T197 WeakPolarHBondContact O-CB 3.48Å; S193-T197 PolarHBondContact O-N 2.95Å; S193-T197 PolarHBondContact O-OG1 3.49Å; N194-T197 WeakPolarHBondContact O-CB 3.29Å; N194-T197 PolarHBondContact O-N 3.21Å; R195-T197 VanDerWaalsContact C-N 3.31Å; R195-T197 PolarHBondContact O-N 3.36Å; T197-Y200 WeakPolarHBondContact O-CB 3.36Å; T197-Y200 PolarHBondContact O-N 3.39Å; T197-L201 HydrophobicContact CG2-CD1 4.34Å; T197-L201 WeakPolarHBondContact O-CG 3.17Å; T197-L201 PolarHBondContact O-N 2.92Å; T197-L279 HydrophobicContact CG2-CD1 3.82Å; T197-L279 HydrophobicContact CG2-CD2 3.72Å; T197-L279 HydrophobicContact CG2-CG 4.43Å; T197-T291 WeakPolarHBondContact OG1-CG2 3.3Å; T197-I294 HydrophobicContact CG2-CB 3.96Å; T197-I294 HydrophobicContact CG2-CD1 3.63Å; T197-I294 HydrophobicContact CG2-CG1 4.41Å; T197-I294 HydrophobicContact CG2-CG2 3.82Å; T197-L295 WeakPolarHBondContact OG1-CG 3.41Å
198	V	95.2	Very high	92.5	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-50.3	175.5	169.8	0	0	0	0	110.3	N194 R195 Y200 L201 L202 E272 T275 Q276 L279	N194-V198 WeakPolarHBondContact O-CG2 3.41Å; N194-V198 PolarHBondContact O-N 3Å; R195-V198 PolarHBondContact O-N 3.29Å; V198-Y200 VanDerWaalsContact C-N 3.3Å; V198-Y200 PolarHBondContact O-N 3.13Å; V198-L201 PolarHBondContact O-N 3Å; V198-L202 HydrophobicContact CG1-CD1 3.95Å; V198-L202 HydrophobicContact CG1-CG 4.42Å; V198-L202 WeakPolarHBondContact O-CG 3.32Å; V198-L202 PolarHBondContact O-N 3.01Å; V198-E272 HydrophobicContact CG1-CG 3.83Å; V198-T275 HydrophobicContact CB-CG2 4.33Å; V198-T275 HydrophobicContact CG1-CG2 4.06Å; V198-T275 HydrophobicContact CG2-CG2 4.33Å; V198-Q276 HydrophobicContact CB-CG 4.38Å; V198-Q276 HydrophobicContact CG1-CG 3.88Å; V198-Q276 HydrophobicContact CG2-CB 4.4Å; V198-Q276 HydrophobicContact CG2-CG 3.68Å; V198-L279 HydrophobicContact CG2-CD2 4.09Å
199	K	94.4	Very high	91.7	Very high	38 Å²	38	25.7 Å²	25.7	17%	0.165	14%	0.137	C	C	.	.	H	α-helix	trans	-53.6	-47.6	175.2	-74	177.2	179.3	-179	0	111.4	D191 R195 M196 L201 L202 E203	D191-K199 IonicContact OD1-NZ 3.24Å; D191-K199 PolarHBondContact OD1-NZ 2.86Å; D191-K199 IonicContact OD2-NZ 2.8Å; D191-K199 PolarHBondContact OD2-NZ 2.82Å; R195-K199 WeakPolarHBondContact O-CG 3.43Å; R195-K199 PolarHBondContact O-N 2.87Å; M196-K199 HydrophobicContact CE-CD 4.43Å; M196-K199 HydrophobicContact SD-CD 4.24Å; K199-L201 PolarHBondContact O-N 3.14Å; K199-L202 PolarHBondContact O-N 2.57Å; K199-E203 VanDerWaalsContact O-CG 3.3Å; K199-E203 WeakPolarHBondContact O-CG 3.5Å; K199-E203 PolarHBondContact O-N 3.2Å
200	Y	94.3	Very high	90.8	Very high	16 Å²	16	26.6 Å²	26.6	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-56.6	-48.6	177.7	177.7	-105.7	0	0	0	113	M196 T197 V198 L202 E203 I204 S212 T216 I294 I301	M196-Y200 WeakPolarHBondContact O-CB 3.45Å; M196-Y200 PolarHBondContact O-N 3.28Å; T197-Y200 WeakPolarHBondContact O-CB 3.36Å; T197-Y200 PolarHBondContact O-N 3.39Å; V198-Y200 VanDerWaalsContact C-N 3.3Å; V198-Y200 PolarHBondContact O-N 3.13Å; Y200-L202 VanDerWaalsContact C-N 3.33Å; Y200-L202 PolarHBondContact O-N 3.26Å; Y200-E203 WeakPolarHBondContact O-CB 3.38Å; Y200-E203 PolarHBondContact O-N 3.16Å; Y200-I204 HydrophobicContact CD1-CD1 4.04Å; Y200-I204 HydrophobicContact CE1-CD1 3.43Å; Y200-I204 VanDerWaalsContact CE1-CD1 3.43Å; Y200-I204 HydrophobicContact CE2-CD1 4.29Å; Y200-I204 PolarHBondContact O-N 3.04Å; Y200-S212 WeakPolarHBondContact CD2-OG 3.25Å; Y200-S212 WeakPolarHBondContact CE2-OG 3.19Å; Y200-T216 HydrophobicContact CD2-CG2 4.13Å; Y200-T216 HydrophobicContact CG-CG2 4.33Å; Y200-I294 HydrophobicContact CD1-CG2 3.43Å; Y200-I294 VanDerWaalsContact CD1-CG2 3.43Å; Y200-I294 HydrophobicContact CE1-CG2 3.73Å; Y200-I294 HydrophobicContact CG-CG2 4.44Å; Y200-I301 HydrophobicContact CE2-CD1 4.19Å; Y200-I301 WeakPolarHBondContact OH-CD1 3.35Å
201	L	94.3	Very high	90	Very high	33 Å²	33	26.9 Å²	26.9	17%	0.173	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-37.8	179.4	-69.4	173.8	0	0	0	111.7	T197 V198 K199 I204 I205 T275 F278 I294	T197-L201 HydrophobicContact CG2-CD1 4.34Å; T197-L201 WeakPolarHBondContact O-CG 3.17Å; T197-L201 PolarHBondContact O-N 2.92Å; V198-L201 PolarHBondContact O-N 3Å; K199-L201 PolarHBondContact O-N 3.14Å; L201-I204 WeakPolarHBondContact O-CB 3.29Å; L201-I204 PolarHBondContact O-N 3.14Å; L201-I205 VanDerWaalsContact O-CG1 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 3.35Å; L201-I205 PolarHBondContact O-N 3.1Å; L201-T275 HydrophobicContact CB-CG2 3.64Å; L201-T275 HydrophobicContact CD1-CG2 3.74Å; L201-T275 HydrophobicContact CG-CG2 4.34Å; L201-F278 HydrophobicContact CD1-CD1 4.44Å; L201-F278 HydrophobicContact CD1-CE1 4.43Å; L201-I294 HydrophobicContact CD1-CD1 4.49Å
202	L	92.7	Very high	89.3	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-42.2	173.9	-68.8	171.6	0	0	0	112.3	V198 K199 Y200 I204 I205 E206 L271 E272	V198-L202 HydrophobicContact CG1-CD1 3.95Å; V198-L202 HydrophobicContact CG1-CG 4.42Å; V198-L202 WeakPolarHBondContact O-CG 3.32Å; V198-L202 PolarHBondContact O-N 3.01Å; K199-L202 PolarHBondContact O-N 2.57Å; Y200-L202 VanDerWaalsContact C-N 3.33Å; Y200-L202 PolarHBondContact O-N 3.26Å; L202-I204 PolarHBondContact O-N 2.96Å; L202-I205 PolarHBondContact O-N 2.78Å; L202-E206 WeakPolarHBondContact O-CB 3.41Å; L202-E206 WeakPolarHBondContact O-CG 3.38Å; L202-E206 PolarHBondContact O-N 3.41Å; L202-L271 HydrophobicContact CD2-CB 3.66Å; L202-E272 HydrophobicContact CD1-CB 3.8Å; L202-E272 HydrophobicContact CD1-CG 3.98Å
203	E	90.3	Very high	88.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-40.4	174.2	-60	-41.4	132.2	0	0	111.4	R165 Y169 K199 Y200 E206 G207 R208 G209 S212 Q215 F316	R165-E203 IonicContact CZ-OE1 3.2Å; R165-E203 IonicContact CZ-OE2 2.71Å; R165-E203 IonicContact NH1-OE1 3.12Å; R165-E203 PolarHBondContact NH1-OE1 2.95Å; R165-E203 IonicContact NH2-OE1 3Å; R165-E203 PolarHBondContact NH2-OE1 2.8Å; R165-E203 IonicContact NH2-OE2 2.87Å; R165-E203 PolarHBondContact NH2-OE2 3.41Å; Y169-E203 PolarHBondContact OH-OE1 2.69Å; Y169-E203 PolarHBondContact OH-OE2 3.09Å; Y169-E203 VanDerWaalsContact OH-OE2 3.11Å; K199-E203 VanDerWaalsContact O-CG 3.3Å; K199-E203 WeakPolarHBondContact O-CG 3.5Å; K199-E203 PolarHBondContact O-N 3.2Å; Y200-E203 WeakPolarHBondContact O-CB 3.38Å; Y200-E203 PolarHBondContact O-N 3.16Å; E203-E206 CarbonylContact O-C 3.6Å; E203-G207 PolarHBondContact O-N 3.45Å; E203-R208 HydrophobicContact CB-CB 4.12Å; E203-R208 CarbonylContact O-C 3.51Å; E203-R208 VanDerWaalsContact O-CA 3.31Å; E203-R208 WeakPolarHBondContact O-CA 3.34Å; E203-R208 WeakPolarHBondContact O-CB 3.38Å; E203-R208 PolarHBondContact O-N 3.22Å; E203-R208 WeakPolarHBondContact OE2-CD 3.4Å; E203-G209 PolarHBondContact O-N 2.76Å; E203-S212 VanDerWaalsContact CB-CB 3.44Å; E203-Q215 PolarHBondContact OE1-NE2 3.36Å; E203-F316 WeakPolarHBondContact OE2-CE2 3.36Å
204	I	88.4	Confident	88.4	Confident	77 Å²	77	29.3 Å²	29.3	40%	0.395	15%	0.153	S	C	.	.	H	α-helix	trans	-66.7	-48.3	177.9	-65.9	169.9	0	0	0	110.9	Y200 L201 L202 E206 G207	Y200-I204 HydrophobicContact CD1-CD1 4.04Å; Y200-I204 HydrophobicContact CE1-CD1 3.43Å; Y200-I204 VanDerWaalsContact CE1-CD1 3.43Å; Y200-I204 HydrophobicContact CE2-CD1 4.29Å; Y200-I204 PolarHBondContact O-N 3.04Å; L201-I204 WeakPolarHBondContact O-CB 3.29Å; L201-I204 PolarHBondContact O-N 3.14Å; L202-I204 PolarHBondContact O-N 2.96Å; I204-E206 PolarHBondContact O-N 3.09Å; I204-G207 PolarHBondContact O-N 3.18Å
205	I	88	Confident	88.1	Confident	91 Å²	91	28.6 Å²	28.6	47%	0.467	15%	0.149	S	C	.	.	H	α-helix	trans	-58.6	-38.4	-180	-67.2	162.9	0	0	0	110.5	L201 L202 G207 L271	L201-I205 VanDerWaalsContact O-CG1 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 3.35Å; L201-I205 PolarHBondContact O-N 3.1Å; L202-I205 PolarHBondContact O-N 2.78Å; I205-G207 VanDerWaalsContact C-N 3.28Å; I205-G207 PolarHBondContact O-N 3.26Å; I205-L271 HydrophobicContact CG2-CD1 4Å; I205-L271 HydrophobicContact CG2-CD2 4.28Å
206	E	83.6	Confident	88	Confident	23 Å²	23	22.6 Å²	22.6	11%	0.107	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	17.1	177.6	-63.5	176.8	-179.5	0	0	113.5	R165 L202 E203 I204 R208 M335 S363	R165-E206 WeakPolarHBondContact CD-OE1 3.36Å; R165-E206 WeakPolarHBondContact CG-OE1 3.46Å; R165-E206 IonicContact CZ-OE1 2.86Å; R165-E206 IonicContact CZ-OE2 3.55Å; R165-E206 VanDerWaalsContact CZ-OE2 3.25Å; R165-E206 VanDerWaalsContact NE-CD 3.29Å; R165-E206 IonicContact NE-OE1 3.23Å; R165-E206 PolarHBondContact NE-OE1 3.14Å; R165-E206 IonicContact NE-OE2 3.66Å; R165-E206 PolarHBondContact NE-OE2 2.93Å; R165-E206 IonicContact NH2-OE2 3.33Å; R165-E206 PolarHBondContact NH2-OE2 3.34Å; L202-E206 WeakPolarHBondContact O-CB 3.41Å; L202-E206 WeakPolarHBondContact O-CG 3.38Å; L202-E206 PolarHBondContact O-N 3.41Å; E203-E206 CarbonylContact O-C 3.6Å; I204-E206 PolarHBondContact O-N 3.09Å; E206-R208 PolarHBondContact O-N 3.37Å; E206-R208 VanDerWaalsContact O-N 3.17Å; E206-R208 IonicContact OE2-NE 2.85Å; E206-M335 WeakPolarHBondContact O-CE 3.45Å; E206-S363 WeakPolarHBondContact O-CB 3.24Å; E206-S363 PolarHBondContact O-OG 3.07Å
207	G	79.6	Confident	87.8	Confident	30 Å²	30	24 Å²	24	31%	0.309	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	19.1	174.3	0	0	0	0	0	115.8	E203 I204 I205 G209 M335	E203-G207 PolarHBondContact O-N 3.45Å; I204-G207 PolarHBondContact O-N 3.18Å; I205-G207 VanDerWaalsContact C-N 3.28Å; I205-G207 PolarHBondContact O-N 3.26Å; G207-G209 VanDerWaalsContact C-N 3.32Å; G207-M335 VanDerWaalsContact CA-CE 3.4Å; G207-M335 VanDerWaalsContact N-CE 3.34Å
208	R	82.3	Confident	87.7	Confident	8 Å²	8	24.3 Å²	24.3	3%	0.03	14%	0.138	C	C	.	.			trans	-97.7	23.5	171.3	-57.5	162.7	-175.5	-88.4	2.4	111.6	E203 E206 N210 Y211 S212 C314 C361 C364	E203-R208 HydrophobicContact CB-CB 4.12Å; E203-R208 CarbonylContact O-C 3.51Å; E203-R208 VanDerWaalsContact O-CA 3.31Å; E203-R208 WeakPolarHBondContact O-CA 3.34Å; E203-R208 WeakPolarHBondContact O-CB 3.38Å; E203-R208 PolarHBondContact O-N 3.22Å; E203-R208 WeakPolarHBondContact OE2-CD 3.4Å; E206-R208 PolarHBondContact O-N 3.37Å; E206-R208 VanDerWaalsContact O-N 3.17Å; E206-R208 IonicContact OE2-NE 2.85Å; R208-N210 VanDerWaalsContact C-N 3.29Å; R208-N210 PolarHBondContact O-N 2.44Å; R208-Y211 PolarHBondContact O-N 2.99Å; R208-S212 PolarHBondContact O-N 3.43Å; R208-S212 VanDerWaalsContact O-N 3.11Å; R208-C314 PolarHBondContact NH1-SG 3.09Å; R208-C361 PolarHBondContact NH1-SG 3.48Å; R208-C364 VanDerWaalsContact NH2-N 3.12Å; R208-C364 PolarHBondContact NH2-SG 2.81Å
209	G	81	Confident	87.7	Confident	21 Å²	21	27.2 Å²	27.2	22%	0.216	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.5	-172.9	0	0	0	0	0	113.6	E203 G207 Y211 S212	E203-G209 PolarHBondContact O-N 2.76Å; G207-G209 VanDerWaalsContact C-N 3.32Å; G209-Y211 PolarHBondContact O-N 2.87Å; G209-S212 WeakPolarHBondContact O-CB 3.43Å; G209-S212 PolarHBondContact O-N 2.78Å; G209-S212 PolarHBondContact O-OG 2.87Å
210	N	77	Confident	87.6	Confident	39 Å²	39	25.4 Å²	25.4	21%	0.209	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-44.8	179.5	-164.4	7.4	0	0	0	111.8	R208 L303 D328	R208-N210 VanDerWaalsContact C-N 3.29Å; R208-N210 PolarHBondContact O-N 2.44Å; N210-L303 WeakPolarHBondContact O-CD2 3.15Å; N210-D328 WeakPolarHBondContact CB-OD1 3.34Å; N210-D328 VanDerWaalsContact ND2-CG 3.27Å; N210-D328 PolarHBondContact ND2-OD1 3.41Å; N210-D328 PolarHBondContact ND2-OD2 3.27Å
211	Y	80.8	Confident	87.5	Confident	17 Å²	17	30.8 Å²	30.8	7%	0.067	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.4	-175.7	-52.8	-66.5	0	0	0	115.2	R208 G209 S213 L214 L303 F316 P317 S319 D328	R208-Y211 PolarHBondContact O-N 2.99Å; G209-Y211 PolarHBondContact O-N 2.87Å; Y211-S213 PolarHBondContact O-N 3.17Å; Y211-L214 WeakPolarHBondContact O-CB 3.49Å; Y211-L214 PolarHBondContact O-N 2.74Å; Y211-L303 HydrophobicContact CD1-CD2 3.73Å; Y211-L303 HydrophobicContact CE1-CD2 4.26Å; Y211-F316 HydrophobicContact CD2-CB 4.42Å; Y211-F316 HydrophobicContact CG-CB 4.31Å; Y211-F316 HydrophobicContact CG-CD1 4.19Å; Y211-F316 HydrophobicContact CG-CG 4.44Å; Y211-F316 WeakPolarHBondContact O-CE1 3.22Å; Y211-P317 HydrophobicContact CD1-CB 4.12Å; Y211-P317 HydrophobicContact CD1-CG 3.71Å; Y211-P317 HydrophobicContact CE1-CB 3.59Å; Y211-P317 HydrophobicContact CE1-CG 3.68Å; Y211-P317 VanDerWaalsContact CE2-O 3.29Å; Y211-P317 WeakPolarHBondContact CE2-O 3.44Å; Y211-P317 VanDerWaalsContact CZ-O 3.26Å; Y211-S319 PolarHBondContact OH-OG 3.25Å; Y211-D328 PolarHBondContact OH-OD2 2.87Å
212	S	81.8	Confident	87.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-25.4	-173.8	67.3	0	0	0	0	114	Y200 E203 R208 G209 T216	Y200-S212 WeakPolarHBondContact CD2-OG 3.25Å; Y200-S212 WeakPolarHBondContact CE2-OG 3.19Å; E203-S212 VanDerWaalsContact CB-CB 3.44Å; R208-S212 PolarHBondContact O-N 3.43Å; R208-S212 VanDerWaalsContact O-N 3.11Å; G209-S212 WeakPolarHBondContact O-CB 3.43Å; G209-S212 PolarHBondContact O-N 2.78Å; G209-S212 PolarHBondContact O-OG 2.87Å; S212-T216 WeakPolarHBondContact O-CB 3.31Å; S212-T216 WeakPolarHBondContact O-CG2 3.47Å; S212-T216 PolarHBondContact O-N 2.73Å; S212-T216 VanDerWaalsContact O-N 3.1Å; S212-T216 PolarHBondContact O-OG1 3.37Å
213	S	86.1	Confident	87.3	Confident	17 Å²	17	30.4 Å²	30.4	12%	0.119	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-36.7	176.8	63.2	0	0	0	0	112.5	Y211 T216 S217 S298 I301	Y211-S213 PolarHBondContact O-N 3.17Å; S213-T216 PolarHBondContact O-N 3.11Å; S213-S217 WeakPolarHBondContact O-CB 3.46Å; S213-S217 PolarHBondContact O-N 3.29Å; S213-S298 VanDerWaalsContact CB-O 3.24Å; S213-S298 WeakPolarHBondContact CB-O 3.37Å; S213-I301 PolarHBondContact OG-O 3.26Å
214	L	86.8	Confident	86.9	Confident	50 Å²	50	38.4 Å²	38.4	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-51.7	177.2	-67.2	174.2	0	0	0	111.5	Y211 T216 S217 D220 R222 L303 F316 P317	Y211-L214 WeakPolarHBondContact O-CB 3.49Å; Y211-L214 PolarHBondContact O-N 2.74Å; L214-T216 PolarHBondContact O-N 3.38Å; L214-S217 WeakPolarHBondContact O-CB 3.41Å; L214-S217 PolarHBondContact O-N 3.3Å; L214-S217 PolarHBondContact O-OG 3.23Å; L214-D220 WeakPolarHBondContact O-CB 3.16Å; L214-R222 HydrophobicContact CB-CG 4.14Å; L214-R222 HydrophobicContact CD1-CG 4.04Å; L214-L303 HydrophobicContact CD1-CD1 3.52Å; L214-L303 HydrophobicContact CD2-CD1 3.8Å; L214-L303 HydrophobicContact CG-CD1 3.61Å; L214-F316 HydrophobicContact CB-CE1 4.36Å; L214-P317 HydrophobicContact CD1-CG 4.27Å
215	Q	88.9	Confident	87	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-30.4	-179.7	175.3	158.8	-50.1	0	0	111.9	Y169 M196 E203 R230 F316	Y169-Q215 PolarHBondContact OH-OE1 2.71Å; M196-Q215 WeakPolarHBondContact CE-O 3.31Å; E203-Q215 PolarHBondContact OE1-NE2 3.36Å; Q215-R230 PolarHBondContact O-NH1 2.66Å; Q215-R230 PolarHBondContact O-NH2 2.88Å; Q215-F316 HydrophobicContact CB-CE1 3.96Å; Q215-F316 HydrophobicContact CB-CZ 3.61Å; Q215-F316 HydrophobicContact CG-CZ 4.48Å
216	T	91.1	Very high	87.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-95.5	2.6	-174.4	66.5	0	0	0	0	114.1	M196 Y200 S212 S213 L214 R233 S298	M196-T216 VanDerWaalsContact CE-CA 3.42Å; M196-T216 HydrophobicContact CE-CG2 4.28Å; Y200-T216 HydrophobicContact CD2-CG2 4.13Å; Y200-T216 HydrophobicContact CG-CG2 4.33Å; S212-T216 WeakPolarHBondContact O-CB 3.31Å; S212-T216 WeakPolarHBondContact O-CG2 3.47Å; S212-T216 PolarHBondContact O-N 2.73Å; S212-T216 VanDerWaalsContact O-N 3.1Å; S212-T216 PolarHBondContact O-OG1 3.37Å; S213-T216 PolarHBondContact O-N 3.11Å; L214-T216 PolarHBondContact O-N 3.38Å; T216-R233 PolarHBondContact O-NE 2.88Å; T216-R233 PolarHBondContact O-NH2 3.07Å; T216-S298 PolarHBondContact OG1-OG 2.9Å
217	S	91.9	Very high	88.1	Confident	28 Å²	28	35.4 Å²	35.4	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	-71.1	168.7	176.9	69.5	0	0	0	0	112.6	S213 L214 L219 R230	S213-S217 WeakPolarHBondContact O-CB 3.46Å; S213-S217 PolarHBondContact O-N 3.29Å; L214-S217 WeakPolarHBondContact O-CB 3.41Å; L214-S217 PolarHBondContact O-N 3.3Å; L214-S217 PolarHBondContact O-OG 3.23Å; S217-L219 PolarHBondContact OG-O 2.78Å; S217-R230 PolarHBondContact O-NH1 2.91Å
218	F	94.2	Very high	88.9	Confident	8 Å²	8	34 Å²	34	4%	0.035	18%	0.176	C	C	.	.	S	Bend	trans	-72.2	-41.8	171.5	-175.1	-89	0	0	0	112.2	I59 Y63 L65 V229 R230 R233	I59-F218 HydrophobicContact CG2-CE2 3.38Å; I59-F218 HydrophobicContact CG2-CZ 3.46Å; I59-F218 VanDerWaalsContact CG2-CZ 3.46Å; Y63-F218 AromaticContact CD1-CD1 3.61Å; Y63-F218 HydrophobicContact CD1-CD1 3.61Å; Y63-F218 AromaticContact CD1-CE1 3.9Å; Y63-F218 HydrophobicContact CD1-CE1 3.9Å; Y63-F218 HydrophobicContact CD1-CG 4.27Å; Y63-F218 AromaticContact CD2-CD1 3.59Å; Y63-F218 HydrophobicContact CD2-CD1 3.59Å; Y63-F218 HydrophobicContact CD2-CD2 4.07Å; Y63-F218 AromaticContact CD2-CE1 3.27Å; Y63-F218 HydrophobicContact CD2-CE1 3.27Å; Y63-F218 AromaticContact CD2-CE2 3.76Å; Y63-F218 HydrophobicContact CD2-CE2 3.76Å; Y63-F218 AromaticContact CD2-CG 4Å; Y63-F218 HydrophobicContact CD2-CG 4Å; Y63-F218 AromaticContact CD2-CZ 3.35Å; Y63-F218 HydrophobicContact CD2-CZ 3.35Å; Y63-F218 HydrophobicContact CE1-CB 4.11Å; Y63-F218 AromaticContact CE1-CD1 3.73Å; Y63-F218 HydrophobicContact CE1-CD1 3.73Å; Y63-F218 HydrophobicContact CE1-CE1 4.37Å; Y63-F218 AromaticContact CE1-CG 3.92Å; Y63-F218 HydrophobicContact CE1-CG 3.92Å; Y63-F218 HydrophobicContact CE2-CB 4.39Å; Y63-F218 AromaticContact CE2-CD1 3.69Å; Y63-F218 HydrophobicContact CE2-CD1 3.69Å; Y63-F218 AromaticContact CE2-CD2 3.57Å; Y63-F218 HydrophobicContact CE2-CD2 3.57Å; Y63-F218 AromaticContact CE2-CE1 3.79Å; Y63-F218 HydrophobicContact CE2-CE1 3.79Å; Y63-F218 AromaticContact CE2-CE2 3.63Å; Y63-F218 HydrophobicContact CE2-CE2 3.63Å; Y63-F218 AromaticContact CE2-CG 3.6Å; Y63-F218 HydrophobicContact CE2-CG 3.6Å; Y63-F218 AromaticContact CE2-CZ 3.75Å; Y63-F218 HydrophobicContact CE2-CZ 3.75Å; Y63-F218 AromaticContact CG-CD1 3.55Å; Y63-F218 HydrophobicContact CG-CD1 3.55Å; Y63-F218 AromaticContact CG-CE1 3.33Å; Y63-F218 HydrophobicContact CG-CE1 3.33Å; Y63-F218 HydrophobicContact CG-CG 4.31Å; Y63-F218 AromaticContact CG-CZ 3.92Å; Y63-F218 HydrophobicContact CG-CZ 3.92Å; Y63-F218 AromaticContact CZ-CD1 3.76Å; Y63-F218 AromaticContact CZ-CD2 3.93Å; Y63-F218 AromaticContact CZ-CG 3.56Å; L65-F218 HydrophobicContact CD1-CE1 4.22Å; L65-F218 HydrophobicContact CD1-CZ 3.95Å; L65-F218 HydrophobicContact CD2-CE1 4.33Å; F218-V229 HydrophobicContact CE1-CG1 3.73Å; F218-V229 HydrophobicContact CZ-CG1 4.04Å; F218-R230 WeakPolarHBondContact CD2-O 3.29Å; F218-R230 VanDerWaalsContact CE2-O 3.29Å; F218-R230 WeakPolarHBondContact CE2-O 3.38Å; F218-R230 PolarHBondContact O-N 3.3Å; F218-R230 VanDerWaalsContact O-N 3.07Å; F218-R233 HydrophobicContact CD2-CB 4.46Å
219	L	93.9	Very high	89.7	Confident	64 Å²	64	33.6 Å²	33.6	34%	0.335	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.9	174.4	-59	-178.9	0	0	0	108.7	S217 T227 I228 V229	S217-L219 PolarHBondContact OG-O 2.78Å; L219-T227 HydrophobicContact CB-CG2 4.04Å; L219-T227 HydrophobicContact CD2-CG2 4.24Å; L219-I228 CarbonylContact C-O 3.55Å; L219-I228 WeakPolarHBondContact CA-O 3.32Å; L219-V229 HydrophobicContact CD2-CB 4.42Å; L219-V229 HydrophobicContact CD2-CG1 4.19Å; L219-V229 HydrophobicContact CD2-CG2 3.84Å
220	D	93.5	Very high	90.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107	178.4	168.2	7.4	0	0	0	109.3	L214 R222 I228 R230	L214-D220 WeakPolarHBondContact O-CB 3.16Å; D220-R222 WeakPolarHBondContact OD1-CB 3.11Å; D220-R222 VanDerWaalsContact OD1-CG 3.28Å; D220-R222 WeakPolarHBondContact OD1-CG 3.5Å; D220-R222 IonicContact OD1-CZ 3.05Å; D220-R222 PolarHBondContact OD1-N 2.97Å; D220-R222 IonicContact OD1-NE 3.01Å; D220-R222 PolarHBondContact OD1-NE 3.23Å; D220-R222 IonicContact OD1-NH2 2.74Å; D220-R222 IonicContact OD2-CZ 2.67Å; D220-R222 IonicContact OD2-NE 2.77Å; D220-R222 PolarHBondContact OD2-NE 2.67Å; D220-R222 IonicContact OD2-NH2 2.76Å; D220-R222 PolarHBondContact OD2-NH2 2.78Å; D220-I228 HydrophobicContact CB-CB 4.07Å; D220-I228 HydrophobicContact CB-CD1 4.49Å; D220-I228 PolarHBondContact N-O 3.13Å; D220-I228 PolarHBondContact O-N 2.93Å; D220-R230 IonicContact OD2-CZ 3.97Å; D220-R230 IonicContact OD2-NH1 3.28Å; D220-R230 IonicContact OD2-NH2 3.04Å; D220-R230 PolarHBondContact OD2-NH2 2.87Å
221	E	91.8	Very high	91.3	Very high	130 Å²	130	30.8 Å²	30.8	61%	0.607	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	13.7	-169.3	-61.7	179.2	158.3	0	0	112.6	Y223 T227	E221-Y223 PolarHBondContact O-N 3.41Å; E221-Y223 VanDerWaalsContact O-N 3.09Å; E221-T227 HydrophobicContact CG-CG2 3.82Å
222	R	90.5	Very high	92.1	Very high	20 Å²	20	30 Å²	30	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-20.4	-178.3	-69.1	179.7	-64.3	161.8	1.8	114.1	L214 D220 Q224 C314 H315	L214-R222 HydrophobicContact CB-CG 4.14Å; L214-R222 HydrophobicContact CD1-CG 4.04Å; D220-R222 WeakPolarHBondContact OD1-CB 3.11Å; D220-R222 VanDerWaalsContact OD1-CG 3.28Å; D220-R222 WeakPolarHBondContact OD1-CG 3.5Å; D220-R222 IonicContact OD1-CZ 3.05Å; D220-R222 PolarHBondContact OD1-N 2.97Å; D220-R222 IonicContact OD1-NE 3.01Å; D220-R222 PolarHBondContact OD1-NE 3.23Å; D220-R222 IonicContact OD1-NH2 2.74Å; D220-R222 IonicContact OD2-CZ 2.67Å; D220-R222 IonicContact OD2-NE 2.77Å; D220-R222 PolarHBondContact OD2-NE 2.67Å; D220-R222 IonicContact OD2-NH2 2.76Å; D220-R222 PolarHBondContact OD2-NH2 2.78Å; R222-Q224 PolarHBondContact O-N 2.92Å; R222-C314 PolarHBondContact NH1-O 2.99Å; R222-H315 HydrophobicContact CB-CB 4.21Å
223	Y	91.5	Very high	92.7	Very high	9 Å²	9	31 Å²	31	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	34.6	-168.8	-64.1	-88	0	0	0	113.8	L172 N173 I176 E221 D225 I226 I228 H315	L172-Y223 HydrophobicContact CD2-CE2 4.24Å; L172-Y223 WeakPolarHBondContact CD2-OH 3.42Å; N173-Y223 WeakPolarHBondContact OD1-CE1 3.29Å; I176-Y223 HydrophobicContact CB-CD1 4.49Å; I176-Y223 HydrophobicContact CD1-CD1 4.22Å; I176-Y223 HydrophobicContact CD1-CD2 4.09Å; I176-Y223 HydrophobicContact CD1-CG 3.86Å; I176-Y223 HydrophobicContact CG1-CD1 3.84Å; I176-Y223 HydrophobicContact CG1-CD2 4.43Å; I176-Y223 HydrophobicContact CG1-CE1 4.07Å; I176-Y223 HydrophobicContact CG1-CG 4.01Å; I176-Y223 HydrophobicContact CG2-CD1 4.2Å; E221-Y223 PolarHBondContact O-N 3.41Å; E221-Y223 VanDerWaalsContact O-N 3.09Å; Y223-D225 PolarHBondContact O-N 3.16Å; Y223-I226 WeakPolarHBondContact CB-O 3.32Å; Y223-I226 PolarHBondContact O-N 3.44Å; Y223-I226 VanDerWaalsContact O-N 3.09Å; Y223-I228 HydrophobicContact CD2-CD1 3.66Å; Y223-I228 HydrophobicContact CD2-CG1 4.4Å; Y223-I228 HydrophobicContact CE2-CD1 3.49Å; Y223-I228 VanDerWaalsContact CE2-CD1 3.49Å; Y223-H315 HydrophobicContact CD1-CB 4.37Å; Y223-H315 AromaticContact CD1-CD2 3.8Å; Y223-H315 AromaticContact CD1-CG 3.91Å; Y223-H315 HydrophobicContact CE1-CB 4.08Å; Y223-H315 AromaticContact CE1-CD2 3.25Å; Y223-H315 WeakPolarHBondContact CE1-CD2 3.35Å; Y223-H315 AromaticContact CE1-CG 3.69Å; Y223-H315 AromaticContact CE1-NE2 3.87Å
224	Q	83.1	Confident	93	Very high	167 Å²	167	33 Å²	33	78%	0.78	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	-87	176.2	-64.5	176.3	-19.3	0	0	113.5	R222	R222-Q224 PolarHBondContact O-N 2.92Å
225	D	90.6	Very high	93.4	Very high	107 Å²	107	30.7 Å²	30.7	57%	0.572	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.9	-176.6	-46.3	-52.8	0	0	0	113.9	K180 Y223	K180-D225 IonicContact NZ-OD2 3.41Å; K180-D225 PolarHBondContact NZ-OD2 3.5Å; Y223-D225 PolarHBondContact O-N 3.16Å
226	I	96.6	Very high	93.6	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.4	-178.1	-55.7	-57.9	0	0	0	110.3	I176 T179 K180 C184 K185 L187 Y223	I176-I226 HydrophobicContact CD1-CB 4.03Å; I176-I226 HydrophobicContact CD1-CG2 3.52Å; I176-I226 HydrophobicContact CG2-CB 4.34Å; I176-I226 HydrophobicContact CG2-CG1 4.14Å; T179-I226 HydrophobicContact CG2-CD1 3.85Å; T179-I226 HydrophobicContact CG2-CG1 4.5Å; T179-I226 HydrophobicContact CG2-CG2 4.02Å; K180-I226 HydrophobicContact CD-CG1 4.42Å; K180-I226 HydrophobicContact CG-CD1 3.86Å; K180-I226 HydrophobicContact CG-CG1 3.76Å; C184-I226 WeakPolarHBondContact O-CD1 3.45Å; K185-I226 VanDerWaalsContact O-CA 3.31Å; K185-I226 WeakPolarHBondContact O-CA 3.43Å; L187-I226 HydrophobicContact CB-CG2 3.94Å; Y223-I226 WeakPolarHBondContact CB-O 3.32Å; Y223-I226 PolarHBondContact O-N 3.44Å; Y223-I226 VanDerWaalsContact O-N 3.09Å
227	T	97	Very high	93.8	Very high	18 Å²	18	33.3 Å²	33.3	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	170.5	-57.3	0	0	0	0	110.2	K185 Y186 L187 L219 E221	K185-T227 PolarHBondContact O-N 3.44Å; Y186-T227 CarbonylContact C-O 3.46Å; Y186-T227 VanDerWaalsContact CA-O 3.3Å; Y186-T227 WeakPolarHBondContact CA-O 3.46Å; Y186-T227 HydrophobicContact CD1-CG2 4.19Å; Y186-T227 HydrophobicContact CE1-CG2 4.28Å; L187-T227 PolarHBondContact N-O 2.91Å; L219-T227 HydrophobicContact CB-CG2 4.04Å; L219-T227 HydrophobicContact CD2-CG2 4.24Å; E221-T227 HydrophobicContact CG-CG2 3.82Å
228	I	97.5	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.9	173.4	-60.3	159.9	0	0	0	109	L172 I176 L187 M189 L219 D220 Y223 R230	L172-I228 HydrophobicContact CD1-CD1 3.83Å; L172-I228 HydrophobicContact CD2-CD1 4.24Å; L172-I228 HydrophobicContact CG-CD1 4.38Å; I176-I228 HydrophobicContact CD1-CD1 4.14Å; I176-I228 HydrophobicContact CD1-CG1 3.9Å; L187-I228 HydrophobicContact CB-CG1 4.36Å; L187-I228 HydrophobicContact CD2-CG1 4.22Å; L187-I228 CarbonylContact O-C 3.48Å; L187-I228 VanDerWaalsContact O-CA 3.29Å; L187-I228 WeakPolarHBondContact O-CA 3.47Å; M189-I228 HydrophobicContact CG-CG2 4.1Å; M189-I228 HydrophobicContact SD-CG2 3.55Å; M189-I228 VanDerWaalsContact SD-CG2 3.55Å; L219-I228 CarbonylContact C-O 3.55Å; L219-I228 WeakPolarHBondContact CA-O 3.32Å; D220-I228 HydrophobicContact CB-CB 4.07Å; D220-I228 HydrophobicContact CB-CD1 4.49Å; D220-I228 PolarHBondContact N-O 3.13Å; D220-I228 PolarHBondContact O-N 2.93Å; Y223-I228 HydrophobicContact CD2-CD1 3.66Å; Y223-I228 HydrophobicContact CD2-CG1 4.4Å; Y223-I228 HydrophobicContact CE2-CD1 3.49Å; Y223-I228 VanDerWaalsContact CE2-CD1 3.49Å; I228-R230 HydrophobicContact CG2-CG 4.19Å
229	V	97.3	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.4	179.7	-173.4	0	0	0	0	109.5	L65 M72 Y186 L187 M188 M189 F218 L219 P231	L65-V229 HydrophobicContact CD1-CG1 3.9Å; L65-V229 HydrophobicContact CD2-CG1 3.88Å; M72-V229 HydrophobicContact CE-CB 3.87Å; M72-V229 HydrophobicContact CE-CG1 4.05Å; M72-V229 HydrophobicContact CE-CG2 3.67Å; Y186-V229 HydrophobicContact CD1-CG2 3.92Å; L187-V229 PolarHBondContact O-N 3.15Å; M188-V229 WeakPolarHBondContact CA-O 3.02Å; M189-V229 PolarHBondContact N-O 2.7Å; F218-V229 HydrophobicContact CE1-CG1 3.73Å; F218-V229 HydrophobicContact CZ-CG1 4.04Å; L219-V229 HydrophobicContact CD2-CB 4.42Å; L219-V229 HydrophobicContact CD2-CG1 4.19Å; L219-V229 HydrophobicContact CD2-CG2 3.84Å; V229-P231 HydrophobicContact CG1-CG 4.23Å; V229-P231 WeakPolarHBondContact O-CD 3.36Å
230	R	96.8	Very high	94	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.17	C	C	.	.			trans	-122.1	76.4	-176.5	-58.5	-177	-177.5	91.6	3.9	112.7	D191 M196 Q215 S217 F218 D220 I228 L232 R233	D191-R230 HydrophobicContact CB-CG 4.29Å; D191-R230 IonicContact OD2-NE 3.69Å; D191-R230 PolarHBondContact OD2-NE 3.47Å; M196-R230 VanDerWaalsContact SD-CD 3.5Å; Q215-R230 PolarHBondContact O-NH1 2.66Å; Q215-R230 PolarHBondContact O-NH2 2.88Å; S217-R230 PolarHBondContact O-NH1 2.91Å; F218-R230 WeakPolarHBondContact CD2-O 3.29Å; F218-R230 VanDerWaalsContact CE2-O 3.29Å; F218-R230 WeakPolarHBondContact CE2-O 3.38Å; F218-R230 PolarHBondContact O-N 3.3Å; F218-R230 VanDerWaalsContact O-N 3.07Å; D220-R230 IonicContact OD2-CZ 3.97Å; D220-R230 IonicContact OD2-NH1 3.28Å; D220-R230 IonicContact OD2-NH2 3.04Å; D220-R230 PolarHBondContact OD2-NH2 2.87Å; I228-R230 HydrophobicContact CG2-CG 4.19Å; R230-L232 PolarHBondContact O-N 2.7Å; R230-R233 HydrophobicContact CB-CB 4.07Å; R230-R233 WeakPolarHBondContact O-CB 3.45Å; R230-R233 PolarHBondContact O-N 2.94Å
231	P	96	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27.7	-175.5	-21.9	33.3	0	0	0	114.3	I56 I59 F60 L65 L85 M188 V229 R233	I56-P231 HydrophobicContact CD1-CB 3.63Å; I59-P231 WeakPolarHBondContact CD1-O 3.31Å; F60-P231 HydrophobicContact CE2-CB 4Å; F60-P231 HydrophobicContact CE2-CG 4.24Å; L65-P231 HydrophobicContact CD1-CG 4.44Å; L85-P231 HydrophobicContact CD1-CB 3.79Å; L85-P231 HydrophobicContact CD1-CG 3.92Å; M188-P231 HydrophobicContact CE-CG 3.44Å; M188-P231 VanDerWaalsContact CE-CG 3.44Å; M188-P231 HydrophobicContact CG-CG 3.72Å; M188-P231 HydrophobicContact SD-CG 3.82Å; V229-P231 HydrophobicContact CG1-CG 4.23Å; V229-P231 WeakPolarHBondContact O-CD 3.36Å; P231-R233 VanDerWaalsContact C-N 3.29Å; P231-R233 PolarHBondContact O-N 2.82Å
232	L	97	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-83	-1	177.1	-60.4	-168.6	0	0	0	113.6	I56 N81 L85 L88 D191 C192 R230 D234 F235 I240	I56-L232 HydrophobicContact CD1-CD2 4.5Å; N81-L232 HydrophobicContact CB-CD1 4.47Å; N81-L232 VanDerWaalsContact O-CD1 3.31Å; N81-L232 WeakPolarHBondContact O-CD1 3.28Å; L85-L232 HydrophobicContact CB-CD1 3.85Å; L85-L232 HydrophobicContact CB-CD2 4.47Å; L85-L232 HydrophobicContact CB-CG 4.09Å; L85-L232 HydrophobicContact CD1-CD2 4.12Å; L85-L232 HydrophobicContact CD1-CG 4.07Å; L88-L232 HydrophobicContact CD1-CD2 3.8Å; D191-L232 CarbonylContact O-C 3.51Å; D191-L232 WeakPolarHBondContact O-CB 3.05Å; C192-L232 WeakPolarHBondContact CA-O 3.17Å; R230-L232 PolarHBondContact O-N 2.7Å; L232-D234 PolarHBondContact O-N 3.33Å; L232-F235 HydrophobicContact CD2-CD2 3.94Å; L232-F235 HydrophobicContact CD2-CE2 4.19Å; L232-F235 HydrophobicContact CD2-CG 4.29Å; L232-F235 WeakPolarHBondContact O-CA 3.45Å; L232-F235 WeakPolarHBondContact O-CB 3.48Å; L232-F235 PolarHBondContact O-N 3.48Å; L232-I240 HydrophobicContact CB-CD1 4.35Å; L232-I240 HydrophobicContact CD1-CD1 3.89Å; L232-I240 HydrophobicContact CD1-CG1 4.43Å
233	R	95	Very high	94.5	Very high	23 Å²	23	31.1 Å²	31.1	9%	0.087	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-53.2	-32.9	-178.6	176.6	-178.6	-176.9	-78.6	2.2	112.9	D191 S193 M196 T216 F218 R230 P231 L295	D191-R233 PolarHBondContact O-N 3.45Å; D191-R233 VanDerWaalsContact O-N 3.08Å; S193-R233 WeakPolarHBondContact CA-O 3.45Å; S193-R233 WeakPolarHBondContact CB-O 3.24Å; S193-R233 PolarHBondContact N-O 3.23Å; M196-R233 HydrophobicContact CG-CG 4.11Å; T216-R233 PolarHBondContact O-NE 2.88Å; T216-R233 PolarHBondContact O-NH2 3.07Å; F218-R233 HydrophobicContact CD2-CB 4.46Å; R230-R233 HydrophobicContact CB-CB 4.07Å; R230-R233 WeakPolarHBondContact O-CB 3.45Å; R230-R233 PolarHBondContact O-N 2.94Å; P231-R233 VanDerWaalsContact C-N 3.29Å; P231-R233 PolarHBondContact O-N 2.82Å; R233-L295 PolarHBondContact NH2-O 3.05Å
234	D	92.4	Very high	94.8	Very high	57 Å²	57	30.7 Å²	30.7	31%	0.305	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-92	2.2	-179.2	-65.7	-12.8	0	0	0	112.9	K55 I59 L232	K55-D234 WeakPolarHBondContact CE-O 3.42Å; K55-D234 PolarHBondContact NZ-O 3.22Å; I59-D234 HydrophobicContact CD1-CB 4.03Å; L232-D234 PolarHBondContact O-N 3.33Å
235	F	95.2	Very high	95.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	15%	0.152	C	C	.	.	S	Bend	trans	-95.5	135.8	174.1	-72.9	-105.4	0	0	0	111.7	C52 K55 I56 I59 L88 S193 L232 E239 I240	C52-F235 HydrophobicContact CB-CE1 4.1Å; K55-F235 HydrophobicContact CB-CE1 4.37Å; K55-F235 HydrophobicContact CB-CE2 4.42Å; K55-F235 HydrophobicContact CB-CZ 3.81Å; K55-F235 HydrophobicContact CD-CD1 4.16Å; K55-F235 HydrophobicContact CD-CD2 4.33Å; K55-F235 HydrophobicContact CD-CE1 3.81Å; K55-F235 HydrophobicContact CD-CE2 4.01Å; K55-F235 HydrophobicContact CD-CG 4.42Å; K55-F235 HydrophobicContact CD-CZ 3.74Å; K55-F235 HydrophobicContact CG-CE1 4.27Å; K55-F235 HydrophobicContact CG-CE2 3.86Å; K55-F235 HydrophobicContact CG-CZ 3.69Å; I56-F235 HydrophobicContact CB-CE2 4.42Å; I56-F235 HydrophobicContact CB-CZ 4.2Å; I56-F235 HydrophobicContact CD1-CE2 4.21Å; I59-F235 HydrophobicContact CD1-CD2 4.3Å; I59-F235 HydrophobicContact CD1-CE2 3.82Å; L88-F235 HydrophobicContact CD1-CE1 4.36Å; L88-F235 HydrophobicContact CD1-CZ 4.24Å; S193-F235 WeakPolarHBondContact CB-O 3.45Å; S193-F235 PolarHBondContact N-O 2.9Å; S193-F235 VanDerWaalsContact OG-C 3.31Å; S193-F235 PolarHBondContact OG-O 3.38Å; L232-F235 HydrophobicContact CD2-CD2 3.94Å; L232-F235 HydrophobicContact CD2-CE2 4.19Å; L232-F235 HydrophobicContact CD2-CG 4.29Å; L232-F235 WeakPolarHBondContact O-CA 3.45Å; L232-F235 WeakPolarHBondContact O-CB 3.48Å; L232-F235 PolarHBondContact O-N 3.48Å; F235-E239 VanDerWaalsContact CA-OE2 3.26Å; F235-E239 WeakPolarHBondContact CA-OE2 3.31Å; F235-E239 HydrophobicContact CD1-CB 4.34Å; F235-I240 HydrophobicContact CB-CD1 4.07Å; F235-I240 HydrophobicContact CB-CG1 3.99Å
236	L	94	Very high	95.6	Very high	26 Å²	26	24.8 Å²	24.8	14%	0.136	13%	0.13	C	C	.	.			trans	-73.8	148.9	169.5	-69.2	167.8	0	0	0	110.2	I36 S193 K238 E239 I240 T291	I36-L236 HydrophobicContact CG2-CD1 3.81Å; S193-L236 WeakPolarHBondContact OG-CA 3.3Å; L236-K238 PolarHBondContact O-N 3.29Å; L236-E239 HydrophobicContact CB-CB 4.45Å; L236-E239 HydrophobicContact CB-CG 4.11Å; L236-E239 PolarHBondContact N-OE2 3.36Å; L236-E239 WeakPolarHBondContact O-CB 3.4Å; L236-E239 PolarHBondContact O-N 3.32Å; L236-I240 PolarHBondContact O-N 3.26Å; L236-I240 VanDerWaalsContact O-N 3.14Å; L236-T291 HydrophobicContact CD2-CG2 4.31Å
237	A	94	Very high	95.5	Very high	37 Å²	37	26.7 Å²	26.7	31%	0.306	14%	0.14	S	C	.	.	H	α-helix	trans	-55.3	-38.5	174.4	0	0	0	0	0	111.8	N194 E239 I240 A241	N194-A237 HydrophobicContact CB-CB 4.08Å; N194-A237 PolarHBondContact OD1-N 2.93Å; A237-E239 PolarHBondContact O-N 3.17Å; A237-I240 PolarHBondContact O-N 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3Å; A237-A241 PolarHBondContact O-N 3.17Å
238	K	92.4	Very high	95.4	Very high	107 Å²	107	32.8 Å²	32.8	47%	0.465	17%	0.167	S	C	.	.	H	α-helix	trans	-63.2	-37.4	175.2	-173.2	175.6	175.6	-173.8	0	113.1	L35 I36 L236 L242	L35-K238 PolarHBondContact O-NZ 3Å; I36-K238 HydrophobicContact CG2-CD 4.48Å; I36-K238 PolarHBondContact O-NZ 3.29Å; L236-K238 PolarHBondContact O-N 3.29Å; K238-L242 HydrophobicContact CG-CD1 4.03Å; K238-L242 HydrophobicContact CG-CG 4.46Å; K238-L242 WeakPolarHBondContact O-CB 3.18Å; K238-L242 VanDerWaalsContact O-CG 3.25Å; K238-L242 WeakPolarHBondContact O-CG 3.39Å; K238-L242 PolarHBondContact O-N 2.59Å
239	E	94.6	Very high	95.3	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-44.9	176	-72.2	174.9	133.8	0	0	110.7	I36 F48 K55 F235 L236 A237 F243	I36-E239 HydrophobicContact CD1-CG 3.75Å; I36-E239 HydrophobicContact CG1-CG 4.24Å; I36-E239 HydrophobicContact CG2-CG 4.04Å; F48-E239 HydrophobicContact CE2-CG 4.44Å; F48-E239 HydrophobicContact CZ-CB 4.37Å; K55-E239 VanDerWaalsContact NZ-CD 3.29Å; K55-E239 IonicContact NZ-OE1 3.68Å; K55-E239 PolarHBondContact NZ-OE1 3.04Å; K55-E239 IonicContact NZ-OE2 2.81Å; K55-E239 PolarHBondContact NZ-OE2 2.85Å; F235-E239 VanDerWaalsContact CA-OE2 3.26Å; F235-E239 WeakPolarHBondContact CA-OE2 3.31Å; F235-E239 HydrophobicContact CD1-CB 4.34Å; L236-E239 HydrophobicContact CB-CB 4.45Å; L236-E239 HydrophobicContact CB-CG 4.11Å; L236-E239 PolarHBondContact N-OE2 3.36Å; L236-E239 WeakPolarHBondContact O-CB 3.4Å; L236-E239 PolarHBondContact O-N 3.32Å; A237-E239 PolarHBondContact O-N 3.17Å; E239-F243 VanDerWaalsContact O-CB 3.24Å; E239-F243 WeakPolarHBondContact O-CB 3.45Å; E239-F243 PolarHBondContact O-N 3.23Å
240	I	96.7	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-49	178.7	-67.5	168	0	0	0	110.5	Q80 T84 C192 L232 F235 L236 A237 L242 F243 A244	Q80-I240 HydrophobicContact CG-CG2 4.17Å; T84-I240 HydrophobicContact CG2-CG1 4.49Å; T84-I240 HydrophobicContact CG2-CG2 4Å; C192-I240 HydrophobicContact CB-CD1 3.28Å; L232-I240 HydrophobicContact CB-CD1 4.35Å; L232-I240 HydrophobicContact CD1-CD1 3.89Å; L232-I240 HydrophobicContact CD1-CG1 4.43Å; F235-I240 HydrophobicContact CB-CD1 4.07Å; F235-I240 HydrophobicContact CB-CG1 3.99Å; L236-I240 PolarHBondContact O-N 3.26Å; L236-I240 VanDerWaalsContact O-N 3.14Å; A237-I240 PolarHBondContact O-N 3.27Å; I240-L242 PolarHBondContact O-N 2.75Å; I240-F243 PolarHBondContact O-N 2.98Å; I240-A244 WeakPolarHBondContact O-CB 3.33Å; I240-A244 PolarHBondContact O-N 3.26Å
241	A	95.7	Very high	95.1	Very high	37 Å²	37	42.9 Å²	42.9	31%	0.306	21%	0.212	S	C	.	.	H	α-helix	trans	-61	-46	180	0	0	0	0	0	112.3	A237 A244 H245	A237-A241 WeakPolarHBondContact O-CB 3Å; A237-A241 PolarHBondContact O-N 3.17Å; A241-A244 PolarHBondContact O-N 3.1Å; A241-H245 VanDerWaalsContact O-CB 3.31Å; A241-H245 WeakPolarHBondContact O-CB 3.3Å; A241-H245 PolarHBondContact O-N 2.86Å
242	L	95.7	Very high	95	Very high	42 Å²	42	43.2 Å²	43.2	22%	0.22	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177	-72.9	173.1	0	0	0	111.8	V34 F48 K238 I240 H245 F246	V34-L242 HydrophobicContact CG1-CD1 3.82Å; F48-L242 HydrophobicContact CE1-CB 3.77Å; F48-L242 HydrophobicContact CZ-CB 3.9Å; K238-L242 HydrophobicContact CG-CD1 4.03Å; K238-L242 HydrophobicContact CG-CG 4.46Å; K238-L242 WeakPolarHBondContact O-CB 3.18Å; K238-L242 VanDerWaalsContact O-CG 3.25Å; K238-L242 WeakPolarHBondContact O-CG 3.39Å; K238-L242 PolarHBondContact O-N 2.59Å; I240-L242 PolarHBondContact O-N 2.75Å; L242-H245 PolarHBondContact O-N 3.46Å; L242-F246 HydrophobicContact CB-CD2 4.34Å; L242-F246 HydrophobicContact CB-CE2 3.95Å; L242-F246 HydrophobicContact CD2-CE2 4.26Å; L242-F246 HydrophobicContact CD2-CZ 4.15Å; L242-F246 WeakPolarHBondContact O-CB 3.49Å; L242-F246 WeakPolarHBondContact O-CD2 3.43Å; L242-F246 WeakPolarHBondContact O-CG 3.37Å; L242-F246 PolarHBondContact O-N 2.79Å
243	F	96.3	Very high	94.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-50.9	177.6	177.1	-93.2	0	0	0	110.9	F48 I49 C52 Y53 T84 L88 E239 I240 H245 F246 I247	F48-F243 HydrophobicContact CE1-CB 4.12Å; I49-F243 HydrophobicContact CG2-CE2 4.21Å; C52-F243 HydrophobicContact CB-CD2 3.55Å; C52-F243 HydrophobicContact CB-CE2 3.81Å; C52-F243 HydrophobicContact CB-CG 4.4Å; Y53-F243 HydrophobicContact CE1-CE2 4.3Å; Y53-F243 AromaticContact CE1-CZ 3.94Å; Y53-F243 HydrophobicContact CE1-CZ 3.94Å; Y53-F243 AromaticContact CE2-CE2 3.99Å; Y53-F243 HydrophobicContact CE2-CE2 3.99Å; Y53-F243 HydrophobicContact CE2-CZ 4.26Å; Y53-F243 AromaticContact CZ-CE2 3.79Å; Y53-F243 AromaticContact CZ-CZ 3.59Å; Y53-F243 WeakPolarHBondContact OH-CZ 3.2Å; T84-F243 HydrophobicContact CG2-CD1 3.57Å; T84-F243 HydrophobicContact CG2-CE1 3.97Å; T84-F243 HydrophobicContact CG2-CG 4.49Å; L88-F243 HydrophobicContact CD2-CE1 3.94Å; L88-F243 HydrophobicContact CD2-CE2 3.76Å; L88-F243 HydrophobicContact CD2-CZ 3.42Å; L88-F243 VanDerWaalsContact CD2-CZ 3.42Å; L88-F243 HydrophobicContact CG-CE1 3.91Å; L88-F243 HydrophobicContact CG-CZ 3.89Å; E239-F243 VanDerWaalsContact O-CB 3.24Å; E239-F243 WeakPolarHBondContact O-CB 3.45Å; E239-F243 PolarHBondContact O-N 3.23Å; I240-F243 PolarHBondContact O-N 2.98Å; F243-H245 VanDerWaalsContact C-N 3.33Å; F243-H245 PolarHBondContact O-N 3.47Å; F243-F246 PolarHBondContact O-N 2.77Å; F243-I247 HydrophobicContact CD1-CD1 4Å; F243-I247 HydrophobicContact CE1-CD1 3.45Å; F243-I247 VanDerWaalsContact CE1-CD1 3.45Å; F243-I247 HydrophobicContact CZ-CD1 3.88Å; F243-I247 WeakPolarHBondContact O-CG1 3.18Å; F243-I247 PolarHBondContact O-N 3Å; F243-I247 VanDerWaalsContact O-N 3.16Å
244	A	96.5	Very high	93.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-46.3	176.7	0	0	0	0	0	111.5	Q80 I240 A241 H248 L249 Y251	Q80-A244 HydrophobicContact CG-CB 3.95Å; I240-A244 WeakPolarHBondContact O-CB 3.33Å; I240-A244 PolarHBondContact O-N 3.26Å; A241-A244 PolarHBondContact O-N 3.1Å; A244-H248 PolarHBondContact O-N 2.88Å; A244-L249 HydrophobicContact CB-CB 4.01Å; A244-L249 HydrophobicContact CB-CD2 3.93Å; A244-L249 WeakPolarHBondContact O-CB 3.13Å; A244-L249 PolarHBondContact O-N 2.71Å; A244-Y251 HydrophobicContact CB-CE1 4.28Å
245	H	95.8	Very high	92.3	Very high	124 Å²	124	53.1 Å²	53.1	57%	0.574	28%	0.277	S	S	*	.	H	α-helix	trans	-59.7	-48.4	177	176.3	73.5	0	0	0	112.2	A241 L242 F243 I247 H248	A241-H245 VanDerWaalsContact O-CB 3.31Å; A241-H245 WeakPolarHBondContact O-CB 3.3Å; A241-H245 PolarHBondContact O-N 2.86Å; L242-H245 PolarHBondContact O-N 3.46Å; F243-H245 VanDerWaalsContact C-N 3.33Å; F243-H245 PolarHBondContact O-N 3.47Å; H245-I247 VanDerWaalsContact C-N 3.33Å; H245-I247 PolarHBondContact O-N 3.44Å; H245-H248 PolarHBondContact O-N 3.08Å; H245-H248 VanDerWaalsContact O-N 3.13Å
246	F	94.9	Very high	91.3	Very high	25 Å²	25	55.7 Å²	55.7	11%	0.11	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-28.7	-174.3	-72.1	-36.6	0	0	0	114.5	V34 K45 F48 I49 L242 F243 H248	V34-F246 HydrophobicContact CG2-CD2 4.45Å; V34-F246 HydrophobicContact CG2-CE2 3.27Å; V34-F246 HydrophobicContact CG2-CZ 3.49Å; V34-F246 VanDerWaalsContact CG2-CZ 3.49Å; K45-F246 HydrophobicContact CD-CB 4.25Å; K45-F246 HydrophobicContact CD-CD1 3.89Å; K45-F246 HydrophobicContact CD-CG 4.2Å; K45-F246 WeakPolarHBondContact CE-O 3.17Å; K45-F246 HydrophobicContact CG-CB 3.93Å; K45-F246 HydrophobicContact CG-CD1 3.8Å; K45-F246 HydrophobicContact CG-CD2 4.26Å; K45-F246 HydrophobicContact CG-CE1 4.4Å; K45-F246 HydrophobicContact CG-CG 3.74Å; K45-F246 PolarHBondContact NZ-O 3.38Å; F48-F246 AromaticContact CD1-CD2 3.63Å; F48-F246 HydrophobicContact CD1-CD2 3.63Å; F48-F246 AromaticContact CD1-CE2 3.74Å; F48-F246 HydrophobicContact CD1-CE2 3.74Å; F48-F246 AromaticContact CE1-CD2 3.92Å; F48-F246 HydrophobicContact CE1-CD2 3.92Å; F48-F246 HydrophobicContact CE1-CE2 4.05Å; I49-F246 HydrophobicContact CD1-CB 4.02Å; I49-F246 HydrophobicContact CG1-CB 4.25Å; L242-F246 HydrophobicContact CB-CD2 4.34Å; L242-F246 HydrophobicContact CB-CE2 3.95Å; L242-F246 HydrophobicContact CD2-CE2 4.26Å; L242-F246 HydrophobicContact CD2-CZ 4.15Å; L242-F246 WeakPolarHBondContact O-CB 3.49Å; L242-F246 WeakPolarHBondContact O-CD2 3.43Å; L242-F246 WeakPolarHBondContact O-CG 3.37Å; L242-F246 PolarHBondContact O-N 2.79Å; F243-F246 PolarHBondContact O-N 2.77Å; F246-H248 VanDerWaalsContact C-N 3.34Å
247	I	94.2	Very high	90.3	Very high	43 Å²	43	57.6 Å²	57.6	22%	0.221	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5	175.8	72.2	176.7	0	0	0	112.8	I49 K87 F243 H245 L249	I49-I247 HydrophobicContact CD1-CG2 3.94Å; I49-I247 HydrophobicContact CG1-CG2 4.18Å; I49-I247 HydrophobicContact CG2-CG2 4.49Å; K87-I247 HydrophobicContact CB-CD1 4.46Å; K87-I247 HydrophobicContact CG-CD1 3.59Å; F243-I247 HydrophobicContact CD1-CD1 4Å; F243-I247 HydrophobicContact CE1-CD1 3.45Å; F243-I247 VanDerWaalsContact CE1-CD1 3.45Å; F243-I247 HydrophobicContact CZ-CD1 3.88Å; F243-I247 WeakPolarHBondContact O-CG1 3.18Å; F243-I247 PolarHBondContact O-N 3Å; F243-I247 VanDerWaalsContact O-N 3.16Å; H245-I247 VanDerWaalsContact C-N 3.33Å; H245-I247 PolarHBondContact O-N 3.44Å; I247-L249 VanDerWaalsContact C-N 3.3Å; I247-L249 HydrophobicContact CD1-CB 4.11Å; I247-L249 HydrophobicContact CD1-CD1 4.16Å; I247-L249 HydrophobicContact CG1-CB 3.82Å; I247-L249 PolarHBondContact O-N 2.81Å
248	H	95.4	Very high	89.6	Confident	147 Å²	147	57 Å²	57	68%	0.681	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	47.8	-175.1	-54.1	-76.3	0	0	0	111.9	A244 H245 F246 E250	A244-H248 PolarHBondContact O-N 2.88Å; H245-H248 PolarHBondContact O-N 3.08Å; H245-H248 VanDerWaalsContact O-N 3.13Å; F246-H248 VanDerWaalsContact C-N 3.34Å; H248-E250 PolarHBondContact O-N 3.16Å
249	L	95.2	Very high	88.9	Confident	33 Å²	33	54.6 Å²	54.6	17%	0.173	29%	0.291	C	S	.	.			trans	-68.6	124.9	-176.7	-171.6	62.9	0	0	0	110.7	T84 K87 A244 I247 Y251	T84-L249 WeakPolarHBondContact OG1-CD2 3.41Å; K87-L249 HydrophobicContact CB-CD1 4.07Å; K87-L249 HydrophobicContact CG-CD1 4.2Å; A244-L249 HydrophobicContact CB-CB 4.01Å; A244-L249 HydrophobicContact CB-CD2 3.93Å; A244-L249 WeakPolarHBondContact O-CB 3.13Å; A244-L249 PolarHBondContact O-N 2.71Å; I247-L249 VanDerWaalsContact C-N 3.3Å; I247-L249 HydrophobicContact CD1-CB 4.11Å; I247-L249 HydrophobicContact CD1-CD1 4.16Å; I247-L249 HydrophobicContact CG1-CB 3.82Å; I247-L249 PolarHBondContact O-N 2.81Å; L249-Y251 VanDerWaalsContact O-CD1 3.27Å; L249-Y251 WeakPolarHBondContact O-CD1 3.36Å
250	E	95.1	Very high	88.2	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	31%	0.309	S	S	.	.			trans	-77.5	130	171.4	-165.6	177.4	-161.4	0	0	109.7	L124 K127 I128 H248	L124-E250 VanDerWaalsContact CD1-CD 3.44Å; L124-E250 HydrophobicContact CD1-CG 3.93Å; L124-E250 WeakPolarHBondContact CD1-OE1 3.42Å; L124-E250 HydrophobicContact CD2-CG 4.49Å; K127-E250 IonicContact NZ-OE1 3.25Å; I128-E250 HydrophobicContact CD1-CB 4.45Å; I128-E250 HydrophobicContact CD1-CG 4.3Å; H248-E250 PolarHBondContact O-N 3.16Å
251	Y	95.3	Very high	87.4	Confident	87 Å²	87	59.2 Å²	59.2	34%	0.341	32%	0.321	S	S	.	.			trans	-155.3	157.8	176.6	59.7	-98.9	0	0	0	110	G78 Q80 A244 L249	G78-Y251 CarbonylContact O-C 3.18Å; G78-Y251 WeakPolarHBondContact O-CA 3.36Å; G78-Y251 VanDerWaalsContact O-CB 3.29Å; G78-Y251 WeakPolarHBondContact O-CB 3.29Å; Q80-Y251 HydrophobicContact CB-CD1 4.23Å; Q80-Y251 HydrophobicContact CB-CD2 3.97Å; Q80-Y251 HydrophobicContact CB-CE1 4.23Å; Q80-Y251 HydrophobicContact CB-CE2 3.98Å; Q80-Y251 HydrophobicContact CB-CG 4.11Å; Q80-Y251 HydrophobicContact CG-CD1 4.23Å; Q80-Y251 HydrophobicContact CG-CE1 3.96Å; Q80-Y251 HydrophobicContact CG-CE2 4.48Å; Q80-Y251 PolarHBondContact NE2-OH 3.28Å; Q80-Y251 VanDerWaalsContact NE2-OH 3.08Å; A244-Y251 HydrophobicContact CB-CE1 4.28Å; L249-Y251 VanDerWaalsContact O-CD1 3.27Å; L249-Y251 WeakPolarHBondContact O-CD1 3.36Å
252	V	93.5	Very high	86.6	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-82.9	142.8	173.8	-50.4	0	0	0	0	110.4	G78 N121 L124 I125 P254	G78-V252 PolarHBondContact O-N 2.97Å; N121-V252 HydrophobicContact CB-CG1 4.21Å; L124-V252 HydrophobicContact CB-CG1 4.39Å; L124-V252 HydrophobicContact CD2-CG1 3.93Å; L124-V252 HydrophobicContact CG-CG1 4.15Å; I125-V252 HydrophobicContact CD1-CG1 4.18Å; I125-V252 HydrophobicContact CD1-CG2 4.18Å; I125-V252 HydrophobicContact CG1-CG1 3.76Å; I125-V252 HydrophobicContact CG1-CG2 4.43Å; V252-P254 WeakPolarHBondContact O-CD 3.49Å
253	T	86	Confident	85.9	Confident	105 Å²	105	63.3 Å²	63.3	64%	0.644	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-80.4	118.6	165.3	-57.8	0	0	0	0	107.5	N255	T253-N255 PolarHBondContact O-N 3.02Å
254	P	72.4	Confident	85.3	Confident	86 Å²	86	71.3 Å²	71.3	56%	0.558	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-60.8	130.4	-178.6	-20.8	31.9	0	0	0	111	V252 D256	V252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-D256 PolarHBondContact O-N 3.45Å
255	N	69.9	Low	84.6	Confident	97 Å²	97	75 Å²	75	52%	0.519	39%	0.392	S	S	.	.			trans	-82.8	88	165	-71.9	-23.3	0	0	0	107.8	T253 P257	T253-N255 PolarHBondContact O-N 3.02Å; N255-P257 WeakPolarHBondContact O-CD 3.41Å
256	D	73.7	Confident	83.9	Confident	57 Å²	57	74.2 Å²	74.2	31%	0.305	40%	0.398	S	S	.	.			trans	-83.3	114.8	175.3	169.7	36.5	0	0	0	110.2	P254 L258 T259 S260	P254-D256 PolarHBondContact O-N 3.45Å; D256-L258 PolarHBondContact O-N 2.96Å; D256-L258 WeakPolarHBondContact OD1-CB 3.48Å; D256-L258 PolarHBondContact OD1-N 3.2Å; D256-L258 VanDerWaalsContact OD1-N 3.13Å; D256-L258 WeakPolarHBondContact OD2-CB 3.48Å; D256-T259 WeakPolarHBondContact O-CB 3.41Å; D256-T259 PolarHBondContact O-N 3.43Å; D256-T259 WeakPolarHBondContact OD2-CB 3.25Å; D256-T259 PolarHBondContact OD2-N 3.18Å; D256-T259 PolarHBondContact OD2-OG1 2.94Å; D256-S260 PolarHBondContact O-N 3.29Å
257	P	73.4	Confident	83.3	Confident	66 Å²	66	80.6 Å²	80.6	43%	0.429	43%	0.433	S	S	.	.	H	α-helix	trans	-57.3	-32.8	177.7	-24.1	35	0	0	0	112.5	N255 S260 I261	N255-P257 WeakPolarHBondContact O-CD 3.41Å; P257-S260 WeakPolarHBondContact O-CB 3.48Å; P257-S260 PolarHBondContact O-N 3.48Å; P257-I261 WeakPolarHBondContact O-CG1 3.49Å; P257-I261 PolarHBondContact O-N 3.27Å
258	L	78.2	Confident	82.6	Confident	23 Å²	23	79.5 Å²	79.5	12%	0.12	43%	0.429	C	S	.	.	H	α-helix	trans	-65.6	-43	-179.9	-60.5	168.6	0	0	0	111.3	L160 Q164 D256 S260 I261 V262	L160-L258 HydrophobicContact CD1-CD2 3.49Å; L160-L258 VanDerWaalsContact CD1-CD2 3.49Å; L160-L258 HydrophobicContact CG-CD2 4.38Å; Q164-L258 HydrophobicContact CB-CD1 3.7Å; Q164-L258 HydrophobicContact CB-CD2 4.44Å; Q164-L258 VanDerWaalsContact CD-CD1 3.43Å; Q164-L258 HydrophobicContact CG-CD1 3.5Å; Q164-L258 VanDerWaalsContact CG-CD1 3.5Å; D256-L258 PolarHBondContact O-N 2.96Å; D256-L258 WeakPolarHBondContact OD1-CB 3.48Å; D256-L258 PolarHBondContact OD1-N 3.2Å; D256-L258 VanDerWaalsContact OD1-N 3.13Å; D256-L258 WeakPolarHBondContact OD2-CB 3.48Å; L258-S260 PolarHBondContact O-N 3.24Å; L258-I261 WeakPolarHBondContact O-CB 3.17Å; L258-I261 PolarHBondContact O-N 3.46Å; L258-I261 VanDerWaalsContact O-N 3.07Å; L258-V262 WeakPolarHBondContact O-CG2 3.49Å; L258-V262 PolarHBondContact O-N 3.48Å
259	T	78.9	Confident	82.2	Confident	57 Å²	57	74.3 Å²	74.3	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-56.3	-41.9	173.9	-64.2	0	0	0	0	111.2	D256 I261 V262 L263	D256-T259 WeakPolarHBondContact O-CB 3.41Å; D256-T259 PolarHBondContact O-N 3.43Å; D256-T259 WeakPolarHBondContact OD2-CB 3.25Å; D256-T259 PolarHBondContact OD2-N 3.18Å; D256-T259 PolarHBondContact OD2-OG1 2.94Å; T259-I261 PolarHBondContact O-N 2.95Å; T259-V262 PolarHBondContact O-N 2.98Å; T259-L263 HydrophobicContact CG2-CD1 3.89Å; T259-L263 HydrophobicContact CG2-CG 4.34Å; T259-L263 WeakPolarHBondContact O-CB 3.2Å; T259-L263 WeakPolarHBondContact O-CG 3.46Å; T259-L263 PolarHBondContact O-N 3.25Å
260	S	79.1	Confident	82	Confident	64 Å²	64	72.9 Å²	72.9	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-37.3	176.4	-63.4	0	0	0	0	112.8	D256 P257 L258 K264	D256-S260 PolarHBondContact O-N 3.29Å; P257-S260 WeakPolarHBondContact O-CB 3.48Å; P257-S260 PolarHBondContact O-N 3.48Å; L258-S260 PolarHBondContact O-N 3.24Å; S260-K264 VanDerWaalsContact O-CG 3.3Å; S260-K264 WeakPolarHBondContact O-CG 3.4Å; S260-K264 PolarHBondContact O-N 3.38Å
261	I	79.3	Confident	81.9	Confident	49 Å²	49	71.4 Å²	71.4	25%	0.251	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-48.7	177.3	-67.4	165	0	0	0	110.8	L160 P257 L258 T259 K264 N265	L160-I261 HydrophobicContact CD1-CD1 4.34Å; L160-I261 HydrophobicContact CD1-CG2 4.3Å; L160-I261 HydrophobicContact CD2-CG2 4.27Å; P257-I261 WeakPolarHBondContact O-CG1 3.49Å; P257-I261 PolarHBondContact O-N 3.27Å; L258-I261 WeakPolarHBondContact O-CB 3.17Å; L258-I261 PolarHBondContact O-N 3.46Å; L258-I261 VanDerWaalsContact O-N 3.07Å; T259-I261 PolarHBondContact O-N 2.95Å; I261-K264 PolarHBondContact O-N 3.49Å; I261-N265 WeakPolarHBondContact O-CB 3.3Å; I261-N265 PolarHBondContact O-N 2.63Å; I261-N265 PolarHBondContact O-ND2 3.04Å
262	V	79.4	Confident	81.8	Confident	27 Å²	27	68.7 Å²	68.7	16%	0.164	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-40.9	-178.7	173.5	0	0	0	0	111.2	L160 L258 T259 K264 N265	L160-V262 HydrophobicContact CD2-CG2 4.07Å; L258-V262 WeakPolarHBondContact O-CG2 3.49Å; L258-V262 PolarHBondContact O-N 3.48Å; T259-V262 PolarHBondContact O-N 2.98Å; V262-K264 VanDerWaalsContact C-N 3.28Å; V262-K264 PolarHBondContact O-N 3.42Å; V262-N265 CarbonylContact O-C 3.51Å; V262-N265 PolarHBondContact O-N 3.04Å; V262-N265 VanDerWaalsContact O-N 3.17Å
263	L	81.8	Confident	81.7	Confident	138 Å²	138	73.1 Å²	73.1	72%	0.723	40%	0.4	S	S	*	.	H	α-helix	trans	-63.3	-33.5	176.5	-73.1	174.1	0	0	0	112.8	T259	T259-L263 HydrophobicContact CG2-CD1 3.89Å; T259-L263 HydrophobicContact CG2-CG 4.34Å; T259-L263 WeakPolarHBondContact O-CB 3.2Å; T259-L263 WeakPolarHBondContact O-CG 3.46Å; T259-L263 PolarHBondContact O-N 3.25Å
264	K	83.5	Confident	82	Confident	169 Å²	169	72.4 Å²	72.4	74%	0.735	39%	0.392	S	S	*	.	H	α-helix	trans	-80.2	-21.3	176.3	-71.1	175.4	-177.7	179.1	0	113	S260 I261 V262	S260-K264 VanDerWaalsContact O-CG 3.3Å; S260-K264 WeakPolarHBondContact O-CG 3.4Å; S260-K264 PolarHBondContact O-N 3.38Å; I261-K264 PolarHBondContact O-N 3.49Å; V262-K264 VanDerWaalsContact C-N 3.28Å; V262-K264 PolarHBondContact O-N 3.42Å
265	N	81.7	Confident	83.1	Confident	79 Å²	79	68.8 Å²	68.8	42%	0.422	37%	0.368	S	S	.	.			trans	-132.4	77.2	-175	-59.7	-81.5	0	0	0	110.1	I261 V262 N267 V268	I261-N265 WeakPolarHBondContact O-CB 3.3Å; I261-N265 PolarHBondContact O-N 2.63Å; I261-N265 PolarHBondContact O-ND2 3.04Å; V262-N265 CarbonylContact O-C 3.51Å; V262-N265 PolarHBondContact O-N 3.04Å; V262-N265 VanDerWaalsContact O-N 3.17Å; N265-N267 PolarHBondContact O-N 2.79Å; N265-V268 HydrophobicContact CB-CB 4.2Å; N265-V268 HydrophobicContact CB-CG2 4.06Å; N265-V268 PolarHBondContact O-N 3.43Å
266	P	80.4	Confident	84.2	Confident	108 Å²	108	67.2 Å²	67.2	70%	0.701	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.5	-174.2	24.3	-34.8	0	0	0	114.3	V268	P266-V268 VanDerWaalsContact C-N 3.3Å
267	N	81.9	Confident	85.1	Confident	158 Å²	158	67.9 Å²	67.9	85%	0.845	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	175.6	-62.5	-22.8	0	0	0	113.2	N265	N265-N267 PolarHBondContact O-N 2.79Å
268	V	81.5	Confident	86.1	Confident	20 Å²	20	70.3 Å²	70.3	12%	0.121	37%	0.365	C	S	.	.			trans	-107.6	134.5	179.9	-174.2	0	0	0	0	108.6	L160 N265 P266	L160-V268 HydrophobicContact CB-CG1 4.28Å; L160-V268 HydrophobicContact CD2-CG1 3.61Å; N265-V268 HydrophobicContact CB-CB 4.2Å; N265-V268 HydrophobicContact CB-CG2 4.06Å; N265-V268 PolarHBondContact O-N 3.43Å; P266-V268 VanDerWaalsContact C-N 3.3Å
269	N	86.8	Confident	86.8	Confident	38 Å²	38	69.3 Å²	69.3	20%	0.203	36%	0.36	C	S	.	.			trans	-140.4	171.8	177.3	-148.5	-28.4	0	0	0	109.7	S157 R273 L274	S157-N269 WeakPolarHBondContact CA-O 3.29Å; S157-N269 VanDerWaalsContact CB-O 3.28Å; S157-N269 WeakPolarHBondContact CB-O 3.01Å; S157-N269 PolarHBondContact OG-N 2.91Å; N269-R273 VanDerWaalsContact OD1-CB 3.25Å; N269-R273 WeakPolarHBondContact OD1-CB 3.21Å; N269-R273 VanDerWaalsContact OD1-CG 3.3Å; N269-R273 WeakPolarHBondContact OD1-CG 3.29Å; N269-L274 HydrophobicContact CB-CD1 4.45Å; N269-L274 HydrophobicContact CB-CD2 4.32Å; N269-L274 HydrophobicContact CB-CG 4.22Å; N269-L274 WeakPolarHBondContact ND2-CD2 3.28Å
270	T	90.9	Very high	87.4	Confident	4 Å²	4	69.6 Å²	69.6	3%	0.025	36%	0.364	C	S	.	.			trans	-116.3	151.1	174.9	71.2	0	0	0	0	111.2	L160 S161 Q164 E272 R273 L274	L160-T270 HydrophobicContact CB-CG2 4.26Å; L160-T270 HydrophobicContact CD2-CG2 3.45Å; L160-T270 VanDerWaalsContact CD2-CG2 3.45Å; L160-T270 HydrophobicContact CG-CG2 3.46Å; L160-T270 VanDerWaalsContact CG-CG2 3.46Å; S161-T270 WeakPolarHBondContact OG-CA 3.25Å; Q164-T270 VanDerWaalsContact OE1-CG2 3.23Å; Q164-T270 PolarHBondContact OE1-OG1 3.14Å; T270-E272 PolarHBondContact O-N 3.34Å; T270-R273 PolarHBondContact O-N 3.32Å; T270-R273 VanDerWaalsContact O-N 3.15Å; T270-R273 WeakPolarHBondContact OG1-CB 3.41Å; T270-R273 PolarHBondContact OG1-N 2.98Å; T270-R273 VanDerWaalsContact OG1-N 3.13Å; T270-L274 WeakPolarHBondContact O-CB 3.29Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 3.45Å
271	L	92.7	Very high	88	Confident	60 Å²	60	68.6 Å²	68.6	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-53.1	-39.4	172.7	-69.9	177.8	0	0	0	111	S161 L202 I205 T275	S161-L271 PolarHBondContact OG-N 3.46Å; L202-L271 HydrophobicContact CD2-CB 3.66Å; I205-L271 HydrophobicContact CG2-CD1 4Å; I205-L271 HydrophobicContact CG2-CD2 4.28Å; L271-T275 VanDerWaalsContact O-CB 3.25Å; L271-T275 WeakPolarHBondContact O-CB 3.44Å; L271-T275 PolarHBondContact O-N 2.94Å; L271-T275 PolarHBondContact O-OG1 3.42Å
272	E	92.7	Very high	88.6	Confident	31 Å²	31	68.7 Å²	68.7	15%	0.145	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-50.1	177.7	-178.5	166.9	179.2	0	0	111.8	Q164 V198 L202 T270 T275 Q276	Q164-E272 VanDerWaalsContact NE2-CD 3.32Å; Q164-E272 PolarHBondContact NE2-OE2 3.37Å; V198-E272 HydrophobicContact CG1-CG 3.83Å; L202-E272 HydrophobicContact CD1-CB 3.8Å; L202-E272 HydrophobicContact CD1-CG 3.98Å; T270-E272 PolarHBondContact O-N 3.34Å; E272-T275 PolarHBondContact O-N 3.33Å; E272-Q276 HydrophobicContact CG-CG 4.36Å; E272-Q276 VanDerWaalsContact O-CG 3.31Å; E272-Q276 WeakPolarHBondContact O-CG 3.34Å; E272-Q276 PolarHBondContact O-N 2.76Å; E272-Q276 PolarHBondContact OE1-NE2 3.28Å
273	R	90.8	Very high	89	Confident	99 Å²	99	69.8 Å²	69.8	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-66	-42.4	-178.3	179.1	59.5	-178.4	-99	0.2	111.8	N269 T270 T275 Q276 D277	N269-R273 VanDerWaalsContact OD1-CB 3.25Å; N269-R273 WeakPolarHBondContact OD1-CB 3.21Å; N269-R273 VanDerWaalsContact OD1-CG 3.3Å; N269-R273 WeakPolarHBondContact OD1-CG 3.29Å; T270-R273 PolarHBondContact O-N 3.32Å; T270-R273 VanDerWaalsContact O-N 3.15Å; T270-R273 WeakPolarHBondContact OG1-CB 3.41Å; T270-R273 PolarHBondContact OG1-N 2.98Å; T270-R273 VanDerWaalsContact OG1-N 3.13Å; R273-T275 VanDerWaalsContact C-N 3.27Å; R273-T275 PolarHBondContact O-N 2.87Å; R273-Q276 WeakPolarHBondContact O-CB 3.33Å; R273-Q276 PolarHBondContact O-N 2.92Å; R273-D277 IonicContact NE-OD1 3.58Å; R273-D277 PolarHBondContact NE-OD1 3.04Å; R273-D277 VanDerWaalsContact NE-OD1 3.13Å; R273-D277 IonicContact NE-OD2 3.26Å; R273-D277 PolarHBondContact NE-OD2 3.27Å; R273-D277 WeakPolarHBondContact O-CB 3.46Å; R273-D277 VanDerWaalsContact O-CG 3.29Å; R273-D277 PolarHBondContact O-N 2.76Å
274	L	93.4	Very high	89.2	Confident	90 Å²	90	67.3 Å²	67.3	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-58.1	-40.9	173.4	-69.9	172.5	0	0	0	111.7	N269 T270 D277 F278	N269-L274 HydrophobicContact CB-CD1 4.45Å; N269-L274 HydrophobicContact CB-CD2 4.32Å; N269-L274 HydrophobicContact CB-CG 4.22Å; N269-L274 WeakPolarHBondContact ND2-CD2 3.28Å; T270-L274 WeakPolarHBondContact O-CB 3.29Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 3.45Å; L274-D277 PolarHBondContact O-N 3.19Å; L274-F278 VanDerWaalsContact O-CB 3.3Å; L274-F278 WeakPolarHBondContact O-CB 3.32Å; L274-F278 PolarHBondContact O-N 3.4Å
275	T	95.1	Very high	89.3	Confident	10 Å²	10	62 Å²	62	6%	0.061	36%	0.361	C	S	.	.	H	α-helix	trans	-68.8	-38.9	177.6	-58.3	0	0	0	0	112	V198 L201 L271 E272 R273 L279	V198-T275 HydrophobicContact CB-CG2 4.33Å; V198-T275 HydrophobicContact CG1-CG2 4.06Å; V198-T275 HydrophobicContact CG2-CG2 4.33Å; L201-T275 HydrophobicContact CB-CG2 3.64Å; L201-T275 HydrophobicContact CD1-CG2 3.74Å; L201-T275 HydrophobicContact CG-CG2 4.34Å; L271-T275 VanDerWaalsContact O-CB 3.25Å; L271-T275 WeakPolarHBondContact O-CB 3.44Å; L271-T275 PolarHBondContact O-N 2.94Å; L271-T275 PolarHBondContact O-OG1 3.42Å; E272-T275 PolarHBondContact O-N 3.33Å; R273-T275 VanDerWaalsContact C-N 3.27Å; R273-T275 PolarHBondContact O-N 2.87Å; T275-L279 WeakPolarHBondContact O-CB 3.23Å; T275-L279 PolarHBondContact O-N 2.96Å
276	Q	93.4	Very high	89.3	Confident	64 Å²	64	60 Å²	60	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-45.8	173.9	-73	173.8	1.4	0	0	111.8	V198 E272 R273 L279 S280	V198-Q276 HydrophobicContact CB-CG 4.38Å; V198-Q276 HydrophobicContact CG1-CG 3.88Å; V198-Q276 HydrophobicContact CG2-CB 4.4Å; V198-Q276 HydrophobicContact CG2-CG 3.68Å; E272-Q276 HydrophobicContact CG-CG 4.36Å; E272-Q276 VanDerWaalsContact O-CG 3.31Å; E272-Q276 WeakPolarHBondContact O-CG 3.34Å; E272-Q276 PolarHBondContact O-N 2.76Å; E272-Q276 PolarHBondContact OE1-NE2 3.28Å; R273-Q276 WeakPolarHBondContact O-CB 3.33Å; R273-Q276 PolarHBondContact O-N 2.92Å; Q276-L279 PolarHBondContact O-N 2.98Å; Q276-S280 WeakPolarHBondContact O-CB 3.43Å; Q276-S280 PolarHBondContact O-N 2.84Å; Q276-S280 PolarHBondContact O-OG 2.85Å
277	D	92.7	Very high	89.6	Confident	71 Å²	71	60.9 Å²	60.9	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-42.2	179.3	-69.4	-17.6	0	0	0	110.4	R273 L274 S280 G281	R273-D277 IonicContact NE-OD1 3.58Å; R273-D277 PolarHBondContact NE-OD1 3.04Å; R273-D277 VanDerWaalsContact NE-OD1 3.13Å; R273-D277 IonicContact NE-OD2 3.26Å; R273-D277 PolarHBondContact NE-OD2 3.27Å; R273-D277 WeakPolarHBondContact O-CB 3.46Å; R273-D277 VanDerWaalsContact O-CG 3.29Å; R273-D277 PolarHBondContact O-N 2.76Å; L274-D277 PolarHBondContact O-N 3.19Å; D277-S280 PolarHBondContact O-N 3.47Å; D277-G281 PolarHBondContact O-N 3.45Å
278	F	94.3	Very high	89.5	Confident	117 Å²	117	54.6 Å²	54.6	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-56.6	-51.1	172.2	169.3	-108	0	0	0	112.2	L201 L274 S280 G281 L282	L201-F278 HydrophobicContact CD1-CD1 4.44Å; L201-F278 HydrophobicContact CD1-CE1 4.43Å; L274-F278 VanDerWaalsContact O-CB 3.3Å; L274-F278 WeakPolarHBondContact O-CB 3.32Å; L274-F278 PolarHBondContact O-N 3.4Å; F278-S280 VanDerWaalsContact C-N 3.32Å; F278-S280 PolarHBondContact O-N 3.38Å; F278-G281 PolarHBondContact O-N 3.39Å; F278-L282 HydrophobicContact CD1-CD1 4.32Å; F278-L282 HydrophobicContact CE1-CD1 3.7Å; F278-L282 HydrophobicContact CE2-CD1 3.92Å; F278-L282 HydrophobicContact CE2-CG 4.23Å; F278-L282 HydrophobicContact CZ-CD1 3.5Å; F278-L282 VanDerWaalsContact CZ-CD1 3.5Å; F278-L282 HydrophobicContact CZ-CG 4.3Å; F278-L282 PolarHBondContact O-N 2.94Å
279	L	93.4	Very high	89.8	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-41.6	-179.9	-175	64.4	0	0	0	111.5	N194 T197 V198 T275 Q276 L282 Q283 T290 I294	N194-L279 HydrophobicContact CB-CD2 4.44Å; T197-L279 HydrophobicContact CG2-CD1 3.82Å; T197-L279 HydrophobicContact CG2-CD2 3.72Å; T197-L279 HydrophobicContact CG2-CG 4.43Å; V198-L279 HydrophobicContact CG2-CD2 4.09Å; T275-L279 WeakPolarHBondContact O-CB 3.23Å; T275-L279 PolarHBondContact O-N 2.96Å; Q276-L279 PolarHBondContact O-N 2.98Å; L279-L282 PolarHBondContact O-N 3.35Å; L279-Q283 WeakPolarHBondContact O-CG 3.25Å; L279-Q283 PolarHBondContact O-N 2.71Å; L279-Q283 VanDerWaalsContact O-N 3.1Å; L279-T290 HydrophobicContact CD1-CG2 4.21Å; L279-I294 HydrophobicContact CD1-CD1 4.3Å
280	S	90.8	Very high	90	Very high	63 Å²	63	56 Å²	56	44%	0.441	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-41.3	177.9	-58.5	0	0	0	0	111.5	Q276 D277 F278 L282 Q283 A284	Q276-S280 WeakPolarHBondContact O-CB 3.43Å; Q276-S280 PolarHBondContact O-N 2.84Å; Q276-S280 PolarHBondContact O-OG 2.85Å; D277-S280 PolarHBondContact O-N 3.47Å; F278-S280 VanDerWaalsContact C-N 3.32Å; F278-S280 PolarHBondContact O-N 3.38Å; S280-L282 PolarHBondContact O-N 3.35Å; S280-Q283 PolarHBondContact O-N 2.87Å; S280-A284 WeakPolarHBondContact O-CB 3.08Å; S280-A284 PolarHBondContact O-N 3.2Å
281	G	92.2	Very high	90	Very high	43 Å²	43	55.8 Å²	55.8	44%	0.443	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-44.3	174.2	0	0	0	0	0	112.6	D277 F278 A284 G285	D277-G281 PolarHBondContact O-N 3.45Å; F278-G281 PolarHBondContact O-N 3.39Å; G281-A284 PolarHBondContact O-N 3.35Å; G281-G285 PolarHBondContact O-N 3Å
282	L	91.1	Very high	89.9	Confident	51 Å²	51	54.6 Å²	54.6	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-43.1	175.5	-70.3	178	0	0	0	112.6	F278 L279 S280 G285 F287 T290	F278-L282 HydrophobicContact CD1-CD1 4.32Å; F278-L282 HydrophobicContact CE1-CD1 3.7Å; F278-L282 HydrophobicContact CE2-CD1 3.92Å; F278-L282 HydrophobicContact CE2-CG 4.23Å; F278-L282 HydrophobicContact CZ-CD1 3.5Å; F278-L282 VanDerWaalsContact CZ-CD1 3.5Å; F278-L282 HydrophobicContact CZ-CG 4.3Å; F278-L282 PolarHBondContact O-N 2.94Å; L279-L282 PolarHBondContact O-N 3.35Å; S280-L282 PolarHBondContact O-N 3.35Å; L282-G285 PolarHBondContact O-N 3.36Å; L282-F287 WeakPolarHBondContact O-CB 3.32Å; L282-F287 PolarHBondContact O-N 3.41Å; L282-T290 HydrophobicContact CD1-CG2 3.89Å
283	Q	87.2	Confident	89.9	Confident	50 Å²	50	56 Å²	56	23%	0.234	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-42.8	178.3	-70.5	-174.4	-51.8	0	0	111.7	N194 L279 S280 T291	N194-Q283 PolarHBondContact ND2-OE1 3.47Å; L279-Q283 WeakPolarHBondContact O-CG 3.25Å; L279-Q283 PolarHBondContact O-N 2.71Å; L279-Q283 VanDerWaalsContact O-N 3.1Å; S280-Q283 PolarHBondContact O-N 2.87Å; Q283-T291 PolarHBondContact NE2-OG1 3.13Å
284	A	86.1	Confident	90	Very high	87 Å²	87	52.8 Å²	52.8	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-67.4	-38	176.9	0	0	0	0	0	112.3	S280 G281 G286	S280-A284 WeakPolarHBondContact O-CB 3.08Å; S280-A284 PolarHBondContact O-N 3.2Å; G281-A284 PolarHBondContact O-N 3.35Å; A284-G286 PolarHBondContact O-N 3.12Å; A284-G286 VanDerWaalsContact O-N 3.08Å
285	G	85.7	Confident	89.9	Confident	57 Å²	57	48.9 Å²	48.9	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	2.1	179.4	0	0	0	0	0	115.5	G281 L282	G281-G285 PolarHBondContact O-N 3Å; L282-G285 PolarHBondContact O-N 3.36Å
286	G	82.1	Confident	89.7	Confident	36 Å²	36	55.6 Å²	55.6	37%	0.371	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.9	11.6	175.7	0	0	0	0	0	115.1	A284 P288	A284-G286 PolarHBondContact O-N 3.12Å; A284-G286 VanDerWaalsContact O-N 3.08Å; G286-P288 WeakPolarHBondContact O-CD 3.37Å
287	F	86.4	Confident	89.5	Confident	127 Å²	127	56 Å²	56	56%	0.557	34%	0.344	S	S	*	.			trans	-111.6	62.2	175.7	-50.9	-82.2	0	0	0	111.7	L282 S289 T290	L282-F287 WeakPolarHBondContact O-CB 3.32Å; L282-F287 PolarHBondContact O-N 3.41Å; F287-S289 PolarHBondContact O-N 2.86Å; F287-S289 VanDerWaalsContact O-N 3.17Å; F287-T290 VanDerWaalsContact CB-OG1 3.26Å; F287-T290 WeakPolarHBondContact CB-OG1 3.36Å; F287-T290 WeakPolarHBondContact O-CB 3.45Å; F287-T290 PolarHBondContact O-N 3.39Å; F287-T290 PolarHBondContact O-OG1 2.91Å
288	P	81.1	Confident	89.3	Confident	27 Å²	27	52.6 Å²	52.6	18%	0.175	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.5	-173.6	30.6	-37.7	0	0	0	113.6	R37 G286 T290	R37-P288 HydrophobicContact CB-CB 3.9Å; R37-P288 HydrophobicContact CB-CG 4.01Å; R37-P288 HydrophobicContact CG-CB 3.65Å; R37-P288 HydrophobicContact CG-CG 4.24Å; G286-P288 WeakPolarHBondContact O-CD 3.37Å; P288-T290 VanDerWaalsContact C-N 3.31Å
289	S	86.3	Confident	89	Confident	56 Å²	56	50.9 Å²	50.9	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.7	178.6	-64.1	0	0	0	0	113.7	F287 G292 T293	F287-S289 PolarHBondContact O-N 2.86Å; F287-S289 VanDerWaalsContact O-N 3.17Å; S289-G292 PolarHBondContact O-N 2.74Å; S289-T293 WeakPolarHBondContact O-CB 2.96Å; S289-T293 PolarHBondContact O-N 2.95Å; S289-T293 PolarHBondContact O-OG1 2.93Å
290	T	91.5	Very high	88.6	Confident	31 Å²	31	58.4 Å²	58.4	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-51.3	-176.5	-64.5	0	0	0	0	112.2	L279 L282 F287 P288 G292 T293 I294	L279-T290 HydrophobicContact CD1-CG2 4.21Å; L282-T290 HydrophobicContact CD1-CG2 3.89Å; F287-T290 VanDerWaalsContact CB-OG1 3.26Å; F287-T290 WeakPolarHBondContact CB-OG1 3.36Å; F287-T290 WeakPolarHBondContact O-CB 3.45Å; F287-T290 PolarHBondContact O-N 3.39Å; F287-T290 PolarHBondContact O-OG1 2.91Å; P288-T290 VanDerWaalsContact C-N 3.31Å; T290-G292 PolarHBondContact O-N 2.69Å; T290-T293 PolarHBondContact O-N 3.02Å; T290-I294 HydrophobicContact CG2-CD1 3.61Å; T290-I294 HydrophobicContact CG2-CG1 4.26Å; T290-I294 WeakPolarHBondContact O-CG1 3.45Å; T290-I294 PolarHBondContact O-N 3.3Å
291	T	91.9	Very high	88.3	Confident	0 Å²	0	58 Å²	58	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-53.3	-50	178.2	-51.4	0	0	0	0	112	S193 T197 L236 Q283 T293 I294 L295	S193-T291 WeakPolarHBondContact O-CG2 3.42Å; T197-T291 WeakPolarHBondContact OG1-CG2 3.3Å; L236-T291 HydrophobicContact CD2-CG2 4.31Å; Q283-T291 PolarHBondContact NE2-OG1 3.13Å; T291-T293 VanDerWaalsContact C-N 3.3Å; T291-T293 PolarHBondContact O-N 3.03Å; T291-I294 PolarHBondContact O-N 2.92Å; T291-L295 PolarHBondContact O-N 3.48Å
292	G	89.8	Confident	87.4	Confident	34 Å²	34	61.3 Å²	61.3	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-28.1	179	0	0	0	0	0	113.4	S289 T290 R296	S289-G292 PolarHBondContact O-N 2.74Å; T290-G292 PolarHBondContact O-N 2.69Å; G292-R296 WeakPolarHBondContact O-CB 3.38Å; G292-R296 WeakPolarHBondContact O-CG 3.44Å; G292-R296 PolarHBondContact O-N 3.32Å; G292-R296 PolarHBondContact O-NE 3.22Å
293	T	92.2	Very high	86.5	Confident	62 Å²	62	61.3 Å²	61.3	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-73.7	-46	175.7	-57.6	0	0	0	0	110.9	S289 T290 T291 L295 R296 T297	S289-T293 WeakPolarHBondContact O-CB 2.96Å; S289-T293 PolarHBondContact O-N 2.95Å; S289-T293 PolarHBondContact O-OG1 2.93Å; T290-T293 PolarHBondContact O-N 3.02Å; T291-T293 VanDerWaalsContact C-N 3.3Å; T291-T293 PolarHBondContact O-N 3.03Å; T293-L295 PolarHBondContact O-N 3.23Å; T293-R296 PolarHBondContact O-N 3.35Å; T293-R296 PolarHBondContact OG1-NH2 2.99Å; T293-T297 PolarHBondContact O-N 3.2Å; T293-T297 PolarHBondContact O-OG1 3.2Å; T293-T297 VanDerWaalsContact O-OG1 3.11Å
294	I	93.2	Very high	85.4	Confident	31 Å²	31	67.3 Å²	67.3	16%	0.159	39%	0.393	C	S	.	.	H	α-helix	trans	-57.9	-48.9	176.1	-65.1	166.7	0	0	0	110.7	T197 Y200 L201 L279 T290 T291 R296 T297 S298	T197-I294 HydrophobicContact CG2-CB 3.96Å; T197-I294 HydrophobicContact CG2-CD1 3.63Å; T197-I294 HydrophobicContact CG2-CG1 4.41Å; T197-I294 HydrophobicContact CG2-CG2 3.82Å; Y200-I294 HydrophobicContact CD1-CG2 3.43Å; Y200-I294 VanDerWaalsContact CD1-CG2 3.43Å; Y200-I294 HydrophobicContact CE1-CG2 3.73Å; Y200-I294 HydrophobicContact CG-CG2 4.44Å; L201-I294 HydrophobicContact CD1-CD1 4.49Å; L279-I294 HydrophobicContact CD1-CD1 4.3Å; T290-I294 HydrophobicContact CG2-CD1 3.61Å; T290-I294 HydrophobicContact CG2-CG1 4.26Å; T290-I294 WeakPolarHBondContact O-CG1 3.45Å; T290-I294 PolarHBondContact O-N 3.3Å; T291-I294 PolarHBondContact O-N 2.92Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 3.5Å; I294-T297 PolarHBondContact O-N 3.49Å; I294-S298 PolarHBondContact O-N 3.07Å
295	L	91.9	Very high	84.2	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-67.8	-25.6	179.8	-70.7	179.9	0	0	0	114.8	M196 T197 R233 T291 T293 S298 S299	M196-L295 HydrophobicContact CB-CD1 4.24Å; M196-L295 HydrophobicContact CB-CD2 3.76Å; T197-L295 WeakPolarHBondContact OG1-CG 3.41Å; R233-L295 PolarHBondContact NH2-O 3.05Å; T291-L295 PolarHBondContact O-N 3.48Å; T293-L295 PolarHBondContact O-N 3.23Å; L295-S298 WeakPolarHBondContact CA-OG 3.34Å; L295-S298 PolarHBondContact O-OG 3.2Å; L295-S299 PolarHBondContact O-N 3.02Å; L295-S299 PolarHBondContact O-OG 3.17Å
296	R	90.2	Very high	83.1	Confident	151 Å²	151	70.3 Å²	70.3	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-76.1	-38.4	172.3	-77.5	179	-59.8	-179.8	7.2	110.8	G292 T293 I294 S299 K300	G292-R296 WeakPolarHBondContact O-CB 3.38Å; G292-R296 WeakPolarHBondContact O-CG 3.44Å; G292-R296 PolarHBondContact O-N 3.32Å; G292-R296 PolarHBondContact O-NE 3.22Å; T293-R296 PolarHBondContact O-N 3.35Å; T293-R296 PolarHBondContact OG1-NH2 2.99Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 3.5Å; R296-S299 PolarHBondContact O-N 3.2Å; R296-S299 PolarHBondContact O-OG 3.39Å; R296-K300 WeakPolarHBondContact O-CG 3.35Å
297	T	89.8	Confident	82.3	Confident	72 Å²	72	70.1 Å²	70.1	44%	0.442	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-42.9	173.6	-58.1	0	0	0	0	110.8	T293 I294 S299 K300	T293-T297 PolarHBondContact O-N 3.2Å; T293-T297 PolarHBondContact O-OG1 3.2Å; T293-T297 VanDerWaalsContact O-OG1 3.11Å; I294-T297 PolarHBondContact O-N 3.49Å; T297-S299 VanDerWaalsContact C-N 3.27Å; T297-S299 PolarHBondContact O-N 2.98Å; T297-K300 WeakPolarHBondContact O-CB 3.42Å; T297-K300 PolarHBondContact O-N 3.01Å
298	S	89.1	Confident	81.8	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-59.3	-38.7	177.4	76.3	0	0	0	0	112.3	S213 T216 I294 L295 K300 I301	S213-S298 VanDerWaalsContact CB-O 3.24Å; S213-S298 WeakPolarHBondContact CB-O 3.37Å; T216-S298 PolarHBondContact OG1-OG 2.9Å; I294-S298 PolarHBondContact O-N 3.07Å; L295-S298 WeakPolarHBondContact CA-OG 3.34Å; L295-S298 PolarHBondContact O-OG 3.2Å; S298-K300 PolarHBondContact O-N 3.36Å; S298-I301 PolarHBondContact O-N 3.25Å
299	S	86.2	Confident	81.9	Confident	82 Å²	82	76.1 Å²	76.1	57%	0.573	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.7	176.7	62.3	0	0	0	0	115	L295 R296 T297	L295-S299 PolarHBondContact O-N 3.02Å; L295-S299 PolarHBondContact O-OG 3.17Å; R296-S299 PolarHBondContact O-N 3.2Å; R296-S299 PolarHBondContact O-OG 3.39Å; T297-S299 VanDerWaalsContact C-N 3.27Å; T297-S299 PolarHBondContact O-N 2.98Å
300	K	86.2	Confident	82	Confident	160 Å²	160	76 Å²	76	70%	0.696	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.2	176.4	-66.2	174.1	-179	-175.2	0	112.9	R296 T297 S298 V302	R296-K300 WeakPolarHBondContact O-CG 3.35Å; T297-K300 WeakPolarHBondContact O-CB 3.42Å; T297-K300 PolarHBondContact O-N 3.01Å; S298-K300 PolarHBondContact O-N 3.36Å; K300-V302 PolarHBondContact O-N 3Å
301	I	84.4	Confident	81.9	Confident	55 Å²	55	74.6 Å²	74.6	28%	0.282	39%	0.39	S	S	.	.			trans	-75.3	107.3	175.6	-60.9	-178	0	0	0	107.4	Y200 S213 S298	Y200-I301 HydrophobicContact CE2-CD1 4.19Å; Y200-I301 WeakPolarHBondContact OH-CD1 3.35Å; S213-I301 PolarHBondContact OG-O 3.26Å; S298-I301 PolarHBondContact O-N 3.25Å
302	V	72.5	Confident	81.8	Confident	111 Å²	111	81.9 Å²	81.9	67%	0.673	42%	0.418	S	S	*	.			trans	-87.1	135.5	177.8	-178.6	0	0	0	0	108.3	K300	K300-V302 PolarHBondContact O-N 3Å
303	L	72.1	Confident	81.8	Confident	51 Å²	51	81.2 Å²	81.2	27%	0.267	41%	0.405	S	S	.	.			trans	-79	122.8	170.8	-60.4	177.4	0	0	0	108.9	N210 Y211 L214	N210-L303 WeakPolarHBondContact O-CD2 3.15Å; Y211-L303 HydrophobicContact CD1-CD2 3.73Å; Y211-L303 HydrophobicContact CE1-CD2 4.26Å; L214-L303 HydrophobicContact CD1-CD1 3.52Å; L214-L303 HydrophobicContact CD2-CD1 3.8Å; L214-L303 HydrophobicContact CG-CD1 3.61Å
304	E	64.4	Low	81.8	Confident	176 Å²	176	78.3 Å²	78.3	82%	0.822	39%	0.387	S	S	*	.			trans	-88.3	-9.3	174	-63.4	-174.2	165	0	0	112.2
305	N	61.5	Low	81.7	Confident	43 Å²	43	79.1 Å²	79.1	23%	0.23	39%	0.39	C	S	.	.			trans	-107.3	112.1	-172.8	-78.2	-22.3	0	0	0	113.2	S307 D328	N305-S307 PolarHBondContact O-N 3.02Å; N305-S307 VanDerWaalsContact O-N 3.16Å; N305-D328 PolarHBondContact ND2-OD2 3.29Å; N305-D328 VanDerWaalsContact ND2-OD2 3.1Å
306	D	62.2	Low	81.5	Confident	165 Å²	165	78.8 Å²	78.8	88%	0.882	39%	0.389	S	S	*	.			trans	-80.5	32.8	169.1	-87.1	-15.8	0	0	0	112.5	K308	D306-K308 PolarHBondContact O-N 2.97Å
307	S	66.1	Low	81.3	Confident	31 Å²	31	72.5 Å²	72.5	22%	0.217	37%	0.367	C	S	.	.			trans	-60.3	119	-175.3	59.6	0	0	0	0	110.4	N305 I309 P317 I318	N305-S307 PolarHBondContact O-N 3.02Å; N305-S307 VanDerWaalsContact O-N 3.16Å; S307-I309 PolarHBondContact O-N 2.86Å; S307-P317 WeakPolarHBondContact OG-CB 3.31Å; S307-I318 WeakPolarHBondContact CB-O 3.35Å; S307-I318 PolarHBondContact OG-O 3.37Å
308	K	74.2	Confident	80.8	Confident	208 Å²	208	70.2 Å²	70.2	90%	0.904	35%	0.352	S	S	*	.	S	Bend	trans	-70.2	-14.1	-179.9	-65.2	-176.3	179.8	179.2	0	113.6	D306	D306-K308 PolarHBondContact O-N 2.97Å
309	I	83.7	Confident	79.9	Confident	72 Å²	72	71.8 Å²	71.8	37%	0.369	36%	0.363	S	S	.	.			trans	-95.6	129.7	-179.9	-51.6	-166.2	0	0	0	108.9	S307 P317 I318 N320	S307-I309 PolarHBondContact O-N 2.86Å; I309-P317 WeakPolarHBondContact O-CA 3.34Å; I309-I318 HydrophobicContact CG2-CD1 4.4Å; I309-I318 PolarHBondContact O-N 3.28Å; I309-N320 WeakPolarHBondContact CD1-ND2 3.49Å
310	T	88.4	Confident	78.7	Confident	55 Å²	55	72.8 Å²	72.8	34%	0.337	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-119.1	146.6	176	59.1	0	0	0	0	110.3	R312 F316	T310-R312 PolarHBondContact O-N 3.31Å; T310-F316 CarbonylContact C-O 3.58Å; T310-F316 VanDerWaalsContact CA-O 3.28Å; T310-F316 WeakPolarHBondContact CA-O 3.42Å
311	C	89.3	Confident	77.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.346	C	S	.	.			trans	-58.1	125.8	173.3	175.4	0	0	0	0	111.2	F313 C314 H315 F316 I318 D359 C361 C364	C311-F313 PolarHBondContact O-N 3.37Å; C311-F313 VanDerWaalsContact O-N 3.09Å; C311-C314 WeakPolarHBondContact CB-SG 3.28Å; C311-C314 PolarHBondContact SG-SG 3.28Å; C311-H315 WeakPolarHBondContact O-CA 3.37Å; C311-H315 PolarHBondContact O-N 3Å; C311-F316 PolarHBondContact N-O 2.96Å; C311-I318 HydrophobicContact CB-CD1 4.01Å; C311-I318 HydrophobicContact CB-CG1 4.13Å; C311-D359 CarbonylContact C-O 3.53Å; C311-D359 WeakPolarHBondContact CA-O 3.41Å; C311-C361 HydrophobicContact CB-CB 3.98Å; C311-C361 PolarHBondContact SG-N 2.78Å; C311-C361 VanDerWaalsContact SG-N 3.37Å; C311-C361 VanDerWaalsContact SG-SG 3.61Å; C311-C364 VanDerWaalsContact SG-SG 3.61Å
312	R	90	Very high	76	Confident	154 Å²	154	72.4 Å²	72.4	58%	0.581	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.3	-178.3	-176.3	171.9	66.3	112.1	-3.4	114.1	T310 E357 D359 L360	T310-R312 PolarHBondContact O-N 3.31Å; R312-E357 IonicContact NH2-OE2 2.87Å; R312-E357 PolarHBondContact NH2-OE2 3.12Å; R312-D359 HydrophobicContact CB-CB 4.01Å; R312-D359 WeakPolarHBondContact CB-O 3.47Å; R312-D359 PolarHBondContact N-O 2.77Å; R312-L360 HydrophobicContact CB-CD2 4.39Å
313	F	90.6	Very high	75.5	Confident	20 Å²	20	70 Å²	70	9%	0.088	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-55.1	-177.6	-172.6	-113	0	0	0	113.3	Y166 Y169 Y170 N173 C311 H315 L360 M367 F368	Y166-F313 HydrophobicContact CD2-CE1 4.13Å; Y166-F313 HydrophobicContact CD2-CE2 4.23Å; Y166-F313 AromaticContact CD2-CZ 3.54Å; Y166-F313 HydrophobicContact CD2-CZ 3.54Å; Y166-F313 AromaticContact CE2-CE2 3.95Å; Y166-F313 HydrophobicContact CE2-CE2 3.95Å; Y166-F313 AromaticContact CE2-CZ 3.73Å; Y166-F313 HydrophobicContact CE2-CZ 3.73Å; Y166-F313 HydrophobicContact CG-CZ 4.28Å; Y169-F313 HydrophobicContact CD2-CE1 4.17Å; Y169-F313 HydrophobicContact CG-CD1 4.4Å; Y169-F313 HydrophobicContact CG-CE1 4.08Å; Y170-F313 HydrophobicContact CD2-CE2 4.5Å; N173-F313 PolarHBondContact ND2-O 2.77Å; C311-F313 PolarHBondContact O-N 3.37Å; C311-F313 VanDerWaalsContact O-N 3.09Å; F313-H315 PolarHBondContact O-CD2 2.85Å; F313-L360 HydrophobicContact CB-CD2 3.91Å; F313-M367 HydrophobicContact CD1-CE 3.8Å; F313-M367 HydrophobicContact CE1-CE 3.41Å; F313-M367 VanDerWaalsContact CE1-CE 3.41Å; F313-M367 HydrophobicContact CZ-CE 4.33Å; F313-F368 HydrophobicContact CB-CE2 4.07Å; F313-F368 HydrophobicContact CB-CZ 4.47Å; F313-F368 AromaticContact CD1-CE2 3.94Å; F313-F368 HydrophobicContact CD1-CE2 3.94Å; F313-F368 HydrophobicContact CD1-CZ 4.17Å; F313-F368 HydrophobicContact CD2-CE2 4.2Å; F313-F368 AromaticContact CD2-CZ 3.8Å; F313-F368 HydrophobicContact CD2-CZ 3.8Å; F313-F368 HydrophobicContact CE1-CE2 4.41Å; F313-F368 HydrophobicContact CE1-CZ 4.32Å; F313-F368 AromaticContact CE2-CZ 3.98Å; F313-F368 HydrophobicContact CE2-CZ 3.98Å; F313-F368 AromaticContact CG-CE2 3.8Å; F313-F368 HydrophobicContact CG-CE2 3.8Å; F313-F368 AromaticContact CG-CZ 3.89Å; F313-F368 HydrophobicContact CG-CZ 3.89Å; F313-F368 HydrophobicContact CZ-CZ 4.23Å
314	C	91.3	Very high	75.1	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-7.1	-176.8	70.1	0	0	0	0	114.1	Y169 R208 R222 C311 F316 C361	Y169-C314 HydrophobicContact CD1-CB 3.8Å; Y169-C314 HydrophobicContact CD2-CB 4.42Å; Y169-C314 HydrophobicContact CE1-CB 3.56Å; Y169-C314 HydrophobicContact CE2-CB 4.19Å; Y169-C314 HydrophobicContact CG-CB 4.23Å; R208-C314 PolarHBondContact NH1-SG 3.09Å; R222-C314 PolarHBondContact NH1-O 2.99Å; C311-C314 WeakPolarHBondContact CB-SG 3.28Å; C311-C314 PolarHBondContact SG-SG 3.28Å; C314-F316 HydrophobicContact CB-CD2 4.13Å; C314-F316 PolarHBondContact O-N 3.01Å; C314-F316 VanDerWaalsContact O-N 3.08Å; C314-C361 VanDerWaalsContact SG-SG 3.67Å
315	H	91.3	Very high	75.1	Confident	48 Å²	48	68.9 Å²	68.9	22%	0.222	36%	0.364	C	S	.	.			trans	59.6	15.2	-179.3	-61.5	-91.6	0	0	0	115.7	R222 Y223 C311 F313	R222-H315 HydrophobicContact CB-CB 4.21Å; Y223-H315 HydrophobicContact CD1-CB 4.37Å; Y223-H315 AromaticContact CD1-CD2 3.8Å; Y223-H315 AromaticContact CD1-CG 3.91Å; Y223-H315 HydrophobicContact CE1-CB 4.08Å; Y223-H315 AromaticContact CE1-CD2 3.25Å; Y223-H315 WeakPolarHBondContact CE1-CD2 3.35Å; Y223-H315 AromaticContact CE1-CG 3.69Å; Y223-H315 AromaticContact CE1-NE2 3.87Å; C311-H315 WeakPolarHBondContact O-CA 3.37Å; C311-H315 PolarHBondContact O-N 3Å; F313-H315 PolarHBondContact O-CD2 2.85Å
316	F	88.5	Confident	75.5	Confident	1 Å²	1	67.2 Å²	67.2	0%	0.004	36%	0.355	C	S	.	.			trans	-72.9	145.8	168.7	-75.9	-55.9	0	0	0	111.7	Y169 E203 Y211 L214 Q215 T310 C311 C314	Y169-F316 WeakPolarHBondContact OH-CE2 3.32Å; E203-F316 WeakPolarHBondContact OE2-CE2 3.36Å; Y211-F316 HydrophobicContact CD2-CB 4.42Å; Y211-F316 HydrophobicContact CG-CB 4.31Å; Y211-F316 HydrophobicContact CG-CD1 4.19Å; Y211-F316 HydrophobicContact CG-CG 4.44Å; Y211-F316 WeakPolarHBondContact O-CE1 3.22Å; L214-F316 HydrophobicContact CB-CE1 4.36Å; Q215-F316 HydrophobicContact CB-CE1 3.96Å; Q215-F316 HydrophobicContact CB-CZ 3.61Å; Q215-F316 HydrophobicContact CG-CZ 4.48Å; T310-F316 CarbonylContact C-O 3.58Å; T310-F316 VanDerWaalsContact CA-O 3.28Å; T310-F316 WeakPolarHBondContact CA-O 3.42Å; C311-F316 PolarHBondContact N-O 2.96Å; C314-F316 HydrophobicContact CB-CD2 4.13Å; C314-F316 PolarHBondContact O-N 3.01Å; C314-F316 VanDerWaalsContact O-N 3.08Å
317	P	84.6	Confident	75.8	Confident	18 Å²	18	63.7 Å²	63.7	12%	0.117	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-56.9	145	171.7	-13.3	23.9	0	0	0	111.6	Y211 L214 S307 I309	Y211-P317 HydrophobicContact CD1-CB 4.12Å; Y211-P317 HydrophobicContact CD1-CG 3.71Å; Y211-P317 HydrophobicContact CE1-CB 3.59Å; Y211-P317 HydrophobicContact CE1-CG 3.68Å; Y211-P317 VanDerWaalsContact CE2-O 3.29Å; Y211-P317 WeakPolarHBondContact CE2-O 3.44Å; Y211-P317 VanDerWaalsContact CZ-O 3.26Å; L214-P317 HydrophobicContact CD1-CG 4.27Å; S307-P317 WeakPolarHBondContact OG-CB 3.31Å; I309-P317 WeakPolarHBondContact O-CA 3.34Å
318	I	80.2	Confident	75.8	Confident	25 Å²	25	63.1 Å²	63.1	13%	0.128	34%	0.336	C	S	.	.			trans	-108.9	120.5	176.4	-62.4	174.7	0	0	0	107.8	S307 I309 C311 N320 C361	S307-I318 WeakPolarHBondContact CB-O 3.35Å; S307-I318 PolarHBondContact OG-O 3.37Å; I309-I318 HydrophobicContact CG2-CD1 4.4Å; I309-I318 PolarHBondContact O-N 3.28Å; C311-I318 HydrophobicContact CB-CD1 4.01Å; C311-I318 HydrophobicContact CB-CG1 4.13Å; I318-N320 PolarHBondContact O-N 2.99Å; I318-C361 HydrophobicContact CG1-CB 4.17Å
319	S	69.4	Low	75.6	Confident	33 Å²	33	57.8 Å²	57.8	23%	0.231	31%	0.31	C	S	.	.			trans	-67.7	112.2	174.6	-34.6	0	0	0	0	108.8	Y211 T321 D328	Y211-S319 PolarHBondContact OH-OG 3.25Å; S319-T321 VanDerWaalsContact C-N 3.3Å; S319-D328 VanDerWaalsContact OG-CB 3.29Å; S319-D328 WeakPolarHBondContact OG-CB 3.17Å; S319-D328 VanDerWaalsContact OG-CG 3.23Å; S319-D328 PolarHBondContact OG-OD2 3.46Å
320	N	61.4	Low	75.1	Confident	103 Å²	103	58 Å²	58	55%	0.551	31%	0.312	S	S	*	.			trans	-94.1	16	174.2	-86.8	7.4	0	0	0	112.1	I309 I318 D322	I309-N320 WeakPolarHBondContact CD1-ND2 3.49Å; I318-N320 PolarHBondContact O-N 2.99Å; N320-D322 PolarHBondContact O-N 3.18Å
321	T	57.8	Low	74.4	Confident	57 Å²	57	57.4 Å²	57.4	35%	0.35	31%	0.312	S	S	.	.			trans	-81.4	120.6	-176.2	95.3	0	0	0	0	109.8	S319 S323 D326	S319-T321 VanDerWaalsContact C-N 3.3Å; T321-S323 PolarHBondContact O-N 2.85Å; T321-S323 VanDerWaalsContact O-N 3.17Å; T321-S323 PolarHBondContact OG1-OG 3.39Å; T321-D326 VanDerWaalsContact OG1-CB 3.29Å; T321-D326 WeakPolarHBondContact OG1-CB 3.43Å; T321-D326 VanDerWaalsContact OG1-CG 3.23Å; T321-D326 PolarHBondContact OG1-OD2 3.11Å
322	D	56.7	Low	73.6	Confident	149 Å²	149	59.4 Å²	59.4	80%	0.797	32%	0.324	S	S	*	.			trans	-71.3	-0.5	174.7	-70.2	-40.2	0	0	0	112.4	N320 S324 R329	N320-D322 PolarHBondContact O-N 3.18Å; D322-S324 PolarHBondContact O-N 2.85Å; D322-R329 PolarHBondContact O-NH1 2.85Å
323	S	62.5	Low	72.9	Confident	61 Å²	61	55.9 Å²	55.9	43%	0.427	31%	0.314	S	S	.	.			trans	-67.9	124.9	-176.1	81.1	0	0	0	0	110.2	T321 N325 D326 R329	T321-S323 PolarHBondContact O-N 2.85Å; T321-S323 VanDerWaalsContact O-N 3.17Å; T321-S323 PolarHBondContact OG1-OG 3.39Å; S323-N325 PolarHBondContact O-N 3.38Å; S323-N325 VanDerWaalsContact O-N 3.1Å; S323-D326 WeakPolarHBondContact O-CB 3.5Å; S323-D326 PolarHBondContact O-N 2.95Å; S323-D326 VanDerWaalsContact O-N 3.14Å; S323-D326 WeakPolarHBondContact OG-CB 3.37Å; S323-D326 PolarHBondContact OG-N 3.24Å; S323-R329 WeakPolarHBondContact O-CD 3.47Å
324	S	62.6	Low	72.3	Confident	73 Å²	73	58.3 Å²	58.3	51%	0.51	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.4	178.6	59.2	0	0	0	0	113.3	D322	D322-S324 PolarHBondContact O-N 2.85Å
325	N	66	Low	71.6	Confident	130 Å²	130	60.2 Å²	60.2	70%	0.695	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	8.4	-177.5	-62.8	-6.6	0	0	0	112.6	S323 P327	S323-N325 PolarHBondContact O-N 3.38Å; S323-N325 VanDerWaalsContact O-N 3.1Å; N325-P327 WeakPolarHBondContact O-CD 3.19Å
326	D	68.2	Low	70.9	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.048	34%	0.342	C	S	.	.			trans	-61.6	120.7	173	-172.8	-15.9	0	0	0	108.8	T321 S323 D328 R329 L330	T321-D326 VanDerWaalsContact OG1-CB 3.29Å; T321-D326 WeakPolarHBondContact OG1-CB 3.43Å; T321-D326 VanDerWaalsContact OG1-CG 3.23Å; T321-D326 PolarHBondContact OG1-OD2 3.11Å; S323-D326 WeakPolarHBondContact O-CB 3.5Å; S323-D326 PolarHBondContact O-N 2.95Å; S323-D326 VanDerWaalsContact O-N 3.14Å; S323-D326 WeakPolarHBondContact OG-CB 3.37Å; S323-D326 PolarHBondContact OG-N 3.24Å; D326-D328 PolarHBondContact O-N 3.22Å; D326-D328 VanDerWaalsContact O-N 3.14Å; D326-D328 WeakPolarHBondContact OD1-CB 3.48Å; D326-D328 PolarHBondContact OD1-N 3.14Å; D326-R329 HydrophobicContact CB-CB 3.87Å; D326-R329 WeakPolarHBondContact O-CB 3.37Å; D326-R329 PolarHBondContact O-N 2.67Å; D326-L330 PolarHBondContact O-N 3.02Å
327	P	69.6	Low	70.6	Confident	91 Å²	91	65.1 Å²	65.1	59%	0.591	37%	0.367	S	S	*	.	H	α-helix	trans	-52.1	-34.9	176	-26	34.5	0	0	0	113.1	N325 L330 A331	N325-P327 WeakPolarHBondContact O-CD 3.19Å; P327-L330 PolarHBondContact O-N 3.36Å; P327-A331 WeakPolarHBondContact O-CB 3.3Å; P327-A331 PolarHBondContact O-N 2.89Å
328	D	66.5	Low	70.3	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.102	38%	0.383	C	S	.	.	H	α-helix	trans	-68.5	-39.4	178.8	-69	-31.2	0	0	0	111.5	N210 Y211 N305 S319 D326 T332	N210-D328 WeakPolarHBondContact CB-OD1 3.34Å; N210-D328 VanDerWaalsContact ND2-CG 3.27Å; N210-D328 PolarHBondContact ND2-OD1 3.41Å; N210-D328 PolarHBondContact ND2-OD2 3.27Å; Y211-D328 PolarHBondContact OH-OD2 2.87Å; N305-D328 PolarHBondContact ND2-OD2 3.29Å; N305-D328 VanDerWaalsContact ND2-OD2 3.1Å; S319-D328 VanDerWaalsContact OG-CB 3.29Å; S319-D328 WeakPolarHBondContact OG-CB 3.17Å; S319-D328 VanDerWaalsContact OG-CG 3.23Å; S319-D328 PolarHBondContact OG-OD2 3.46Å; D326-D328 PolarHBondContact O-N 3.22Å; D326-D328 VanDerWaalsContact O-N 3.14Å; D326-D328 WeakPolarHBondContact OD1-CB 3.48Å; D326-D328 PolarHBondContact OD1-N 3.14Å; D328-T332 VanDerWaalsContact O-CB 3.23Å; D328-T332 WeakPolarHBondContact O-CB 3.34Å; D328-T332 PolarHBondContact O-N 3.47Å; D328-T332 PolarHBondContact O-OG1 2.98Å
329	R	68.5	Low	70	Confident	96 Å²	96	68.1 Å²	68.1	36%	0.362	39%	0.39	S	S	.	.	H	α-helix	trans	-67.9	-43	175.3	-174.5	-178.7	168.5	156.2	1.5	111	D322 S323 D326 A331 T332 E333	D322-R329 PolarHBondContact O-NH1 2.85Å; S323-R329 WeakPolarHBondContact O-CD 3.47Å; D326-R329 HydrophobicContact CB-CB 3.87Å; D326-R329 WeakPolarHBondContact O-CB 3.37Å; D326-R329 PolarHBondContact O-N 2.67Å; R329-A331 VanDerWaalsContact C-N 3.35Å; R329-A331 PolarHBondContact O-N 3.29Å; R329-T332 CarbonylContact O-C 3.56Å; R329-T332 WeakPolarHBondContact O-CB 3.45Å; R329-T332 PolarHBondContact O-N 2.87Å; R329-E333 HydrophobicContact CG-CG 4.41Å; R329-E333 IonicContact CZ-OE1 2.76Å; R329-E333 IonicContact NE-OE1 3.75Å; R329-E333 PolarHBondContact NE-OE1 3Å; R329-E333 IonicContact NH2-OE1 2.81Å; R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 WeakPolarHBondContact O-CG 3.46Å; R329-E333 PolarHBondContact O-N 3.43Å
330	L	74.4	Confident	70.4	Confident	77 Å²	77	68.1 Å²	68.1	40%	0.403	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-39.8	176.8	-69.9	172.2	0	0	0	112.2	D326 P327 E333 S334	D326-L330 PolarHBondContact O-N 3.02Å; P327-L330 PolarHBondContact O-N 3.36Å; L330-E333 PolarHBondContact O-N 3.47Å; L330-S334 WeakPolarHBondContact O-CB 3.34Å; L330-S334 PolarHBondContact O-N 3.18Å; L330-S334 PolarHBondContact O-OG 2.86Å
331	A	73.9	Confident	71.4	Confident	42 Å²	42	69 Å²	69	35%	0.347	40%	0.395	S	S	.	.	H	α-helix	trans	-64.3	-42.4	174.3	0	0	0	0	0	111.5	P327 R329 S334 M335	P327-A331 WeakPolarHBondContact O-CB 3.3Å; P327-A331 PolarHBondContact O-N 2.89Å; R329-A331 VanDerWaalsContact C-N 3.35Å; R329-A331 PolarHBondContact O-N 3.29Å; A331-S334 PolarHBondContact O-N 3.13Å; A331-M335 PolarHBondContact O-N 3.05Å
332	T	71.9	Confident	72.3	Confident	42 Å²	42	70.5 Å²	70.5	26%	0.258	41%	0.408	S	S	.	.	H	α-helix	trans	-60.4	-48.2	174.5	-65.6	0	0	0	0	111.2	D328 R329 S334 M335 I336 L362	D328-T332 VanDerWaalsContact O-CB 3.23Å; D328-T332 WeakPolarHBondContact O-CB 3.34Å; D328-T332 PolarHBondContact O-N 3.47Å; D328-T332 PolarHBondContact O-OG1 2.98Å; R329-T332 CarbonylContact O-C 3.56Å; R329-T332 WeakPolarHBondContact O-CB 3.45Å; R329-T332 PolarHBondContact O-N 2.87Å; T332-S334 PolarHBondContact O-N 3.12Å; T332-M335 WeakPolarHBondContact O-CB 3.32Å; T332-M335 PolarHBondContact O-N 2.73Å; T332-I336 HydrophobicContact CG2-CD1 4.21Å; T332-I336 WeakPolarHBondContact O-CG1 3.45Å; T332-I336 PolarHBondContact O-N 3.37Å; T332-L362 HydrophobicContact CG2-CB 4.11Å; T332-L362 HydrophobicContact CG2-CD1 4.44Å; T332-L362 HydrophobicContact CG2-CD2 3.24Å; T332-L362 HydrophobicContact CG2-CG 4.07Å
333	E	75.2	Confident	73	Confident	80 Å²	80	67.7 Å²	67.7	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-40.7	176.7	-74.2	174.8	-176.2	0	0	111.7	R329 L330 M335 I336 H337	R329-E333 HydrophobicContact CG-CG 4.41Å; R329-E333 IonicContact CZ-OE1 2.76Å; R329-E333 IonicContact NE-OE1 3.75Å; R329-E333 PolarHBondContact NE-OE1 3Å; R329-E333 IonicContact NH2-OE1 2.81Å; R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 WeakPolarHBondContact O-CG 3.46Å; R329-E333 PolarHBondContact O-N 3.43Å; L330-E333 PolarHBondContact O-N 3.47Å; E333-M335 VanDerWaalsContact C-N 3.31Å; E333-M335 PolarHBondContact O-N 3.14Å; E333-I336 PolarHBondContact O-N 2.94Å; E333-H337 WeakPolarHBondContact O-CB 3.28Å; E333-H337 PolarHBondContact O-N 2.82Å
334	S	78.5	Confident	73.1	Confident	71 Å²	71	69 Å²	69	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-63.2	-37	175.8	-61.1	0	0	0	0	112.2	L330 A331 T332 S338	L330-S334 WeakPolarHBondContact O-CB 3.34Å; L330-S334 PolarHBondContact O-N 3.18Å; L330-S334 PolarHBondContact O-OG 2.86Å; A331-S334 PolarHBondContact O-N 3.13Å; T332-S334 PolarHBondContact O-N 3.12Å; S334-S338 WeakPolarHBondContact O-CB 3.43Å; S334-S338 PolarHBondContact O-N 3.48Å; S334-S338 PolarHBondContact O-OG 3.24Å
335	M	76.8	Confident	73.1	Confident	39 Å²	39	73.2 Å²	73.2	19%	0.192	42%	0.416	C	S	.	.	H	α-helix	trans	-68	-45	174.5	-175.6	-171.8	-71.3	0	0	111.7	E206 G207 A331 T332 E333 H337 S338 S339 L362 L366	E206-M335 WeakPolarHBondContact O-CE 3.45Å; G207-M335 VanDerWaalsContact CA-CE 3.4Å; G207-M335 VanDerWaalsContact N-CE 3.34Å; A331-M335 PolarHBondContact O-N 3.05Å; T332-M335 WeakPolarHBondContact O-CB 3.32Å; T332-M335 PolarHBondContact O-N 2.73Å; E333-M335 VanDerWaalsContact C-N 3.31Å; E333-M335 PolarHBondContact O-N 3.14Å; M335-H337 VanDerWaalsContact C-N 3.31Å; M335-H337 PolarHBondContact O-N 3.37Å; M335-S338 PolarHBondContact O-N 3.16Å; M335-S339 WeakPolarHBondContact O-CB 3.48Å; M335-S339 PolarHBondContact O-N 3.22Å; M335-L362 HydrophobicContact CB-CD2 4.49Å; M335-L362 HydrophobicContact SD-CD2 3.91Å; M335-L366 HydrophobicContact CG-CD1 4.27Å; M335-L366 HydrophobicContact SD-CD1 3.51Å; M335-L366 VanDerWaalsContact SD-CD1 3.51Å
336	I	75.9	Confident	72.7	Confident	40 Å²	40	70.3 Å²	70.3	21%	0.205	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-45.3	176.3	-67.3	164.3	0	0	0	109.8	T332 E333 S339 S340 F347 P353 L362	T332-I336 HydrophobicContact CG2-CD1 4.21Å; T332-I336 WeakPolarHBondContact O-CG1 3.45Å; T332-I336 PolarHBondContact O-N 3.37Å; E333-I336 PolarHBondContact O-N 2.94Å; I336-S339 WeakPolarHBondContact O-CB 3.49Å; I336-S339 PolarHBondContact O-N 3.35Å; I336-S340 PolarHBondContact O-N 2.97Å; I336-F347 HydrophobicContact CG2-CZ 4.41Å; I336-P353 HydrophobicContact CD1-CG 4.05Å; I336-L362 HydrophobicContact CD1-CD1 4.38Å; I336-L362 HydrophobicContact CD1-CD2 4.24Å; I336-L362 HydrophobicContact CG1-CD1 4.48Å; I336-L362 HydrophobicContact CG1-CD2 4.05Å
337	H	81.8	Confident	71.8	Confident	112 Å²	112	73.7 Å²	73.7	52%	0.519	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-48.1	176.1	179.9	-94.4	0	0	0	111.8	E333 M335 S339 S340 L341	E333-H337 WeakPolarHBondContact O-CB 3.28Å; E333-H337 PolarHBondContact O-N 2.82Å; M335-H337 VanDerWaalsContact C-N 3.31Å; M335-H337 PolarHBondContact O-N 3.37Å; H337-S339 VanDerWaalsContact C-N 3.29Å; H337-S339 PolarHBondContact O-N 2.92Å; H337-S340 PolarHBondContact O-N 3.11Å; H337-S340 VanDerWaalsContact O-N 3.14Å; H337-S340 PolarHBondContact O-OG 3.17Å; H337-L341 VanDerWaalsContact CE1-CD1 3.44Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.46Å; H337-L341 WeakPolarHBondContact O-CG 3.16Å; H337-L341 PolarHBondContact O-N 2.94Å
338	S	79.7	Confident	70.4	Confident	65 Å²	65	73.8 Å²	73.8	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-38	177.5	-58.2	0	0	0	0	112.3	S334 M335 L341 S342	S334-S338 WeakPolarHBondContact O-CB 3.43Å; S334-S338 PolarHBondContact O-N 3.48Å; S334-S338 PolarHBondContact O-OG 3.24Å; M335-S338 PolarHBondContact O-N 3.16Å; S338-L341 PolarHBondContact O-N 3.29Å; S338-S342 PolarHBondContact O-N 3.04Å; S338-S342 VanDerWaalsContact O-N 3.12Å; S338-S342 PolarHBondContact O-OG 3Å
339	S	73.4	Confident	69	Low	41 Å²	41	82.7 Å²	82.7	29%	0.287	46%	0.464	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.2	-172.6	0	0	0	0	111.4	M335 I336 H337 L341 S342 N343	M335-S339 WeakPolarHBondContact O-CB 3.48Å; M335-S339 PolarHBondContact O-N 3.22Å; I336-S339 WeakPolarHBondContact O-CB 3.49Å; I336-S339 PolarHBondContact O-N 3.35Å; H337-S339 VanDerWaalsContact C-N 3.29Å; H337-S339 PolarHBondContact O-N 2.92Å; S339-L341 VanDerWaalsContact C-N 3.34Å; S339-L341 PolarHBondContact O-N 2.96Å; S339-S342 PolarHBondContact O-N 2.69Å; S339-S342 VanDerWaalsContact O-N 3.13Å; S339-N343 PolarHBondContact O-N 3.2Å
340	S	77.9	Confident	67.3	Low	34 Å²	34	87.6 Å²	87.6	24%	0.238	49%	0.488	C	S	.	.	H	α-helix	trans	-63.4	-38.1	178.2	75.9	0	0	0	0	112.7	I336 H337 S342 N343	I336-S340 PolarHBondContact O-N 2.97Å; H337-S340 PolarHBondContact O-N 3.11Å; H337-S340 VanDerWaalsContact O-N 3.14Å; H337-S340 PolarHBondContact O-OG 3.17Å; S340-S342 VanDerWaalsContact C-N 3.31Å; S340-S342 PolarHBondContact O-N 2.87Å; S340-N343 CarbonylContact O-C 3.41Å
341	L	81.9	Confident	65.4	Low	122 Å²	122	87.2 Å²	87.2	64%	0.639	49%	0.489	S	S	*	.	H	α-helix	trans	-67.7	-31.9	174.7	-70.1	178.5	0	0	0	112.6	H337 S338 S339	H337-L341 VanDerWaalsContact CE1-CD1 3.44Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.46Å; H337-L341 WeakPolarHBondContact O-CG 3.16Å; H337-L341 PolarHBondContact O-N 2.94Å; S338-L341 PolarHBondContact O-N 3.29Å; S339-L341 VanDerWaalsContact C-N 3.34Å; S339-L341 PolarHBondContact O-N 2.96Å
342	S	76.5	Confident	63.7	Low	88 Å²	88	91.3 Å²	91.3	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-80.4	-26.2	-178.1	-56.1	0	0	0	0	112.7	S338 S339 S340	S338-S342 PolarHBondContact O-N 3.04Å; S338-S342 VanDerWaalsContact O-N 3.12Å; S338-S342 PolarHBondContact O-OG 3Å; S339-S342 PolarHBondContact O-N 2.69Å; S339-S342 VanDerWaalsContact O-N 3.13Å; S340-S342 VanDerWaalsContact C-N 3.31Å; S340-S342 PolarHBondContact O-N 2.87Å
343	N	70.7	Confident	62.3	Low	89 Å²	89	92.6 Å²	92.6	48%	0.476	52%	0.519	S	S	.	.			trans	-132.3	66.4	-177.4	-62.7	-56	0	0	0	111.8	S339 S340 D345 S346	S339-N343 PolarHBondContact O-N 3.2Å; S340-N343 CarbonylContact O-C 3.41Å; N343-D345 PolarHBondContact O-N 3.23Å; N343-S346 WeakPolarHBondContact CB-OG 3.44Å; N343-S346 PolarHBondContact O-N 2.94Å; N343-S346 PolarHBondContact O-OG 2.88Å
344	P	64.5	Low	60.5	Low	88 Å²	88	91.8 Å²	91.8	57%	0.571	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-57.6	-34.7	-175.2	22.4	-32.3	0	0	0	112.6	S346 F347	P344-S346 VanDerWaalsContact C-N 3.3Å; P344-S346 PolarHBondContact O-N 2.61Å; P344-F347 PolarHBondContact O-N 3.03Å
345	D	63.3	Low	58.7	Low	162 Å²	162	94.2 Å²	94.2	87%	0.866	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-73.6	-18.4	-178.1	-61	-32.6	0	0	0	113.9	N343	N343-D345 PolarHBondContact O-N 3.23Å
346	S	56.8	Low	57.6	Low	69 Å²	69	95.9 Å²	95.9	48%	0.483	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-87.3	-14.3	-180	68.5	0	0	0	0	113.4	N343 P344	N343-S346 WeakPolarHBondContact CB-OG 3.44Å; N343-S346 PolarHBondContact O-N 2.94Å; N343-S346 PolarHBondContact O-OG 2.88Å; P344-S346 VanDerWaalsContact C-N 3.3Å; P344-S346 PolarHBondContact O-N 2.61Å
347	F	50.3	Low	56.8	Low	81 Å²	81	98.7 Å²	98.7	36%	0.355	57%	0.565	S	S	.	*			trans	-102.6	67.2	178.4	-93.1	-93.9	0	0	0	111.1	I336 P344	I336-F347 HydrophobicContact CG2-CZ 4.41Å; P344-F347 PolarHBondContact O-N 3.03Å
348	S	40.7	Very low	56	Low	93 Å²	93	102.6 Å²	102.6	65%	0.65	58%	0.58	S	S	*	*			trans	-75.1	141.5	157.3	58.8	0	0	0	0	109.4	K350	S348-K350 PolarHBondContact O-N 3.45Å
349	E	36.7	Very low	56.1	Low	205 Å²	205	103.6 Å²	103.6	96%	0.958	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	26.4	-162.9	-68	-179.4	139.7	0	0	118.7
350	K	33	Very low	56.7	Low	200 Å²	200	102 Å²	102	87%	0.87	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	19.5	177.6	-68.9	-171	179.6	177.1	0	116	S348	S348-K350 PolarHBondContact O-N 3.45Å
351	T	34.2	Very low	57.1	Low	69 Å²	69	101.1 Å²	101.1	42%	0.423	56%	0.562	S	S	.	*			trans	-120	72	166	51.8	0	0	0	0	111.8
352	V	37.2	Very low	57.1	Low	127 Å²	127	96.1 Å²	96.1	77%	0.77	54%	0.536	S	S	*	.	S	Bend	trans	-44.2	135.4	144.7	179.3	0	0	0	0	106.3	G354	V352-G354 VanDerWaalsContact C-N 3.31Å; V352-G354 WeakPolarHBondContact O-CA 3.39Å; V352-G354 PolarHBondContact O-N 3.2Å
353	P	42.2	Very low	57.5	Low	70 Å²	70	92.8 Å²	92.8	46%	0.455	51%	0.512	S	S	.	.	S	Bend	trans	-43.1	96.5	-172.9	-26.8	31.7	0	0	0	110.7	I336 V355	I336-P353 HydrophobicContact CD1-CG 4.05Å; P353-V355 PolarHBondContact O-N 3.42Å
354	G	38.6	Very low	58.3	Low	62 Å²	62	88.5 Å²	88.5	64%	0.639	49%	0.49	S	S	*	.			trans	-79.9	101.9	-159	0	0	0	0	0	107.4	V352	V352-G354 VanDerWaalsContact C-N 3.31Å; V352-G354 WeakPolarHBondContact O-CA 3.39Å; V352-G354 PolarHBondContact O-N 3.2Å
355	V	40.8	Very low	59.3	Low	123 Å²	123	85.5 Å²	85.5	75%	0.745	47%	0.471	S	S	*	.			trans	54.9	85.1	179.1	-165.8	0	0	0	0	111.8	P353 E357	P353-V355 PolarHBondContact O-N 3.42Å; V355-E357 PolarHBondContact O-N 2.88Å
356	I	53.1	Low	60.2	Low	74 Å²	74	79.9 Å²	79.9	38%	0.379	44%	0.44	S	S	.	.			trans	-52.7	115.2	151.4	-59.5	173.5	0	0	0	104.6	K358 L360	I356-K358 PolarHBondContact O-N 3.41Å; I356-L360 WeakPolarHBondContact CG2-O 3.47Å
357	E	60.3	Low	61.6	Low	99 Å²	99	76.7 Å²	76.7	46%	0.463	42%	0.418	S	S	.	.			trans	-48.7	123.7	170.1	-77.8	-170	-177.9	0	0	106.1	R312 V355 D359 L360	R312-E357 IonicContact NH2-OE2 2.87Å; R312-E357 PolarHBondContact NH2-OE2 3.12Å; V355-E357 PolarHBondContact O-N 2.88Å; E357-D359 PolarHBondContact O-N 3Å; E357-L360 HydrophobicContact CB-CB 4.44Å; E357-L360 HydrophobicContact CB-CD1 4.04Å; E357-L360 HydrophobicContact CB-CG 4.11Å; E357-L360 HydrophobicContact CG-CD1 4.41Å; E357-L360 PolarHBondContact O-N 3.36Å; E357-L360 WeakPolarHBondContact OE2-CD1 3.18Å
358	K	64.3	Low	63.2	Low	193 Å²	193	76 Å²	76	84%	0.839	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-11.1	-163.5	-70.9	-175.4	176.8	-178.4	0	114.9	I356	I356-K358 PolarHBondContact O-N 3.41Å
359	D	81.7	Confident	65.1	Low	87 Å²	87	77 Å²	77	47%	0.465	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	9.1	-176.4	-47.2	-33.7	0	0	0	113.8	C311 R312 E357	C311-D359 CarbonylContact C-O 3.53Å; C311-D359 WeakPolarHBondContact CA-O 3.41Å; R312-D359 HydrophobicContact CB-CB 4.01Å; R312-D359 WeakPolarHBondContact CB-O 3.47Å; R312-D359 PolarHBondContact N-O 2.77Å; E357-D359 PolarHBondContact O-N 3Å
360	L	86.3	Confident	67.1	Low	6 Å²	6	70.1 Å²	70.1	3%	0.031	38%	0.377	C	S	.	.	S	Bend	trans	-112.4	138.9	176.8	-65.5	-178.3	0	0	0	111.6	R312 F313 I356 E357 C364 F368	R312-L360 HydrophobicContact CB-CD2 4.39Å; F313-L360 HydrophobicContact CB-CD2 3.91Å; I356-L360 WeakPolarHBondContact CG2-O 3.47Å; E357-L360 HydrophobicContact CB-CB 4.44Å; E357-L360 HydrophobicContact CB-CD1 4.04Å; E357-L360 HydrophobicContact CB-CG 4.11Å; E357-L360 HydrophobicContact CG-CD1 4.41Å; E357-L360 PolarHBondContact O-N 3.36Å; E357-L360 WeakPolarHBondContact OE2-CD1 3.18Å; L360-C364 HydrophobicContact CB-CB 4.3Å; L360-C364 HydrophobicContact CD2-CB 4.27Å; L360-F368 HydrophobicContact CD1-CD2 3.73Å; L360-F368 HydrophobicContact CD1-CE2 4.14Å; L360-F368 HydrophobicContact CD2-CE2 4.32Å
361	C	85.6	Confident	69.2	Low	17 Å²	17	62 Å²	62	12%	0.115	34%	0.344	C	S	.	.			trans	-69.4	155.9	167	65.3	0	0	0	0	110.6	R208 C311 C314 I318 S363 C364 S365	R208-C361 PolarHBondContact NH1-SG 3.48Å; C311-C361 HydrophobicContact CB-CB 3.98Å; C311-C361 PolarHBondContact SG-N 2.78Å; C311-C361 VanDerWaalsContact SG-N 3.37Å; C311-C361 VanDerWaalsContact SG-SG 3.61Å; C314-C361 VanDerWaalsContact SG-SG 3.67Å; I318-C361 HydrophobicContact CG1-CB 4.17Å; C361-S363 VanDerWaalsContact C-N 3.33Å; C361-S363 PolarHBondContact O-N 2.93Å; C361-C364 WeakPolarHBondContact O-CB 3.34Å; C361-C364 PolarHBondContact O-N 3.18Å; C361-C364 VanDerWaalsContact SG-SG 3.6Å; C361-S365 PolarHBondContact O-N 3.21Å
362	L	82	Confident	71.1	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-48	-51.6	-177.3	179.5	70.4	0	0	0	112.7	T332 M335 I336 C364 S365 L366	T332-L362 HydrophobicContact CG2-CB 4.11Å; T332-L362 HydrophobicContact CG2-CD1 4.44Å; T332-L362 HydrophobicContact CG2-CD2 3.24Å; T332-L362 HydrophobicContact CG2-CG 4.07Å; M335-L362 HydrophobicContact CB-CD2 4.49Å; M335-L362 HydrophobicContact SD-CD2 3.91Å; I336-L362 HydrophobicContact CD1-CD1 4.38Å; I336-L362 HydrophobicContact CD1-CD2 4.24Å; I336-L362 HydrophobicContact CG1-CD1 4.48Å; I336-L362 HydrophobicContact CG1-CD2 4.05Å; L362-C364 VanDerWaalsContact C-N 3.28Å; L362-C364 PolarHBondContact O-N 3.14Å; L362-S365 CarbonylContact O-C 3.55Å; L362-S365 WeakPolarHBondContact O-CA 3.29Å; L362-S365 WeakPolarHBondContact O-CB 3.47Å; L362-S365 PolarHBondContact O-N 3.44Å; L362-L366 HydrophobicContact CD1-CD1 4.22Å; L362-L366 HydrophobicContact CD1-CG 4.14Å; L362-L366 HydrophobicContact CD2-CD1 4.18Å; L362-L366 HydrophobicContact CG-CD1 3.93Å; L362-L366 HydrophobicContact CG-CG 4.22Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.12Å
363	S	84.9	Confident	72.3	Confident	17 Å²	17	61.2 Å²	61.2	12%	0.119	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-30.2	-175.2	-34.5	0	0	0	0	112.8	E206 C361 M367	E206-S363 WeakPolarHBondContact O-CB 3.24Å; E206-S363 PolarHBondContact O-OG 3.07Å; C361-S363 VanDerWaalsContact C-N 3.33Å; C361-S363 PolarHBondContact O-N 2.93Å; S363-M367 VanDerWaalsContact O-CB 3.28Å; S363-M367 WeakPolarHBondContact O-CB 3.36Å; S363-M367 PolarHBondContact O-N 2.82Å; S363-M367 VanDerWaalsContact O-N 3.11Å
364	C	88.1	Confident	72.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-45.9	170.4	-82.8	0	0	0	0	110	R208 C311 L360 C361 L362 L366 M367 F368	R208-C364 VanDerWaalsContact NH2-N 3.12Å; R208-C364 PolarHBondContact NH2-SG 2.81Å; C311-C364 VanDerWaalsContact SG-SG 3.61Å; L360-C364 HydrophobicContact CB-CB 4.3Å; L360-C364 HydrophobicContact CD2-CB 4.27Å; C361-C364 WeakPolarHBondContact O-CB 3.34Å; C361-C364 PolarHBondContact O-N 3.18Å; C361-C364 VanDerWaalsContact SG-SG 3.6Å; L362-C364 VanDerWaalsContact C-N 3.28Å; L362-C364 PolarHBondContact O-N 3.14Å; C364-L366 VanDerWaalsContact C-N 3.31Å; C364-L366 PolarHBondContact O-N 2.96Å; C364-M367 PolarHBondContact O-N 3.04Å; C364-F368 HydrophobicContact CB-CD2 4.4Å; C364-F368 HydrophobicContact CB-CE2 4.49Å; C364-F368 WeakPolarHBondContact O-CD2 3.47Å; C364-F368 PolarHBondContact O-N 3.08Å
365	S	85	Confident	73.1	Confident	24 Å²	24	64.4 Å²	64.4	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-57.6	-43.5	178.8	-169.6	0	0	0	0	111.9	C361 L362 K369	C361-S365 PolarHBondContact O-N 3.21Å; L362-S365 CarbonylContact O-C 3.55Å; L362-S365 WeakPolarHBondContact O-CA 3.29Å; L362-S365 WeakPolarHBondContact O-CB 3.47Å; L362-S365 PolarHBondContact O-N 3.44Å; S365-K369 WeakPolarHBondContact O-CB 3.36Å; S365-K369 PolarHBondContact O-N 3.42Å
366	L	82.5	Confident	74.7	Confident	44 Å²	44	61.5 Å²	61.5	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-46.3	176.1	-68.7	175.6	0	0	0	111.7	M335 L362 C364 F368 K369 D370	M335-L366 HydrophobicContact CG-CD1 4.27Å; M335-L366 HydrophobicContact SD-CD1 3.51Å; M335-L366 VanDerWaalsContact SD-CD1 3.51Å; L362-L366 HydrophobicContact CD1-CD1 4.22Å; L362-L366 HydrophobicContact CD1-CG 4.14Å; L362-L366 HydrophobicContact CD2-CD1 4.18Å; L362-L366 HydrophobicContact CG-CD1 3.93Å; L362-L366 HydrophobicContact CG-CG 4.22Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.12Å; C364-L366 VanDerWaalsContact C-N 3.31Å; C364-L366 PolarHBondContact O-N 2.96Å; L366-F368 PolarHBondContact O-N 3.03Å; L366-K369 WeakPolarHBondContact O-CB 3.17Å; L366-K369 PolarHBondContact O-N 3.4Å; L366-D370 PolarHBondContact O-N 3.38Å
367	M	85.9	Confident	75.8	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-44.5	176.3	177.2	-169.8	74	0	0	111.9	N162 R165 Y166 F313 S363 C364 D370 L371	N162-M367 HydrophobicContact CB-CG 3.99Å; R165-M367 HydrophobicContact CB-SD 3.97Å; R165-M367 HydrophobicContact CG-SD 3.89Å; Y166-M367 HydrophobicContact CD2-CE 4.21Å; F313-M367 HydrophobicContact CD1-CE 3.8Å; F313-M367 HydrophobicContact CE1-CE 3.41Å; F313-M367 VanDerWaalsContact CE1-CE 3.41Å; F313-M367 HydrophobicContact CZ-CE 4.33Å; S363-M367 VanDerWaalsContact O-CB 3.28Å; S363-M367 WeakPolarHBondContact O-CB 3.36Å; S363-M367 PolarHBondContact O-N 2.82Å; S363-M367 VanDerWaalsContact O-N 3.11Å; C364-M367 PolarHBondContact O-N 3.04Å; M367-D370 PolarHBondContact O-N 3.28Å; M367-L371 HydrophobicContact CG-CD1 4.1Å; M367-L371 WeakPolarHBondContact O-CB 3.46Å; M367-L371 VanDerWaalsContact O-CG 3.23Å; M367-L371 WeakPolarHBondContact O-CG 3.17Å; M367-L371 PolarHBondContact O-N 2.64Å
368	F	83.9	Confident	76.7	Confident	67 Å²	67	58.7 Å²	58.7	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-65.6	-40	175.7	-82.6	-70.6	0	0	0	112.3	Y166 F313 L360 C364 L366 L371 S372	Y166-F368 AromaticContact CD2-CE1 3.98Å; Y166-F368 HydrophobicContact CD2-CE1 3.98Å; Y166-F368 HydrophobicContact CD2-CZ 4.16Å; Y166-F368 AromaticContact CE2-CE1 3.65Å; Y166-F368 HydrophobicContact CE2-CE1 3.65Å; Y166-F368 AromaticContact CE2-CZ 3.96Å; Y166-F368 HydrophobicContact CE2-CZ 3.96Å; F313-F368 HydrophobicContact CB-CE2 4.07Å; F313-F368 HydrophobicContact CB-CZ 4.47Å; F313-F368 AromaticContact CD1-CE2 3.94Å; F313-F368 HydrophobicContact CD1-CE2 3.94Å; F313-F368 HydrophobicContact CD1-CZ 4.17Å; F313-F368 HydrophobicContact CD2-CE2 4.2Å; F313-F368 AromaticContact CD2-CZ 3.8Å; F313-F368 HydrophobicContact CD2-CZ 3.8Å; F313-F368 HydrophobicContact CE1-CE2 4.41Å; F313-F368 HydrophobicContact CE1-CZ 4.32Å; F313-F368 AromaticContact CE2-CZ 3.98Å; F313-F368 HydrophobicContact CE2-CZ 3.98Å; F313-F368 AromaticContact CG-CE2 3.8Å; F313-F368 HydrophobicContact CG-CE2 3.8Å; F313-F368 AromaticContact CG-CZ 3.89Å; F313-F368 HydrophobicContact CG-CZ 3.89Å; F313-F368 HydrophobicContact CZ-CZ 4.23Å; L360-F368 HydrophobicContact CD1-CD2 3.73Å; L360-F368 HydrophobicContact CD1-CE2 4.14Å; L360-F368 HydrophobicContact CD2-CE2 4.32Å; C364-F368 HydrophobicContact CB-CD2 4.4Å; C364-F368 HydrophobicContact CB-CE2 4.49Å; C364-F368 WeakPolarHBondContact O-CD2 3.47Å; C364-F368 PolarHBondContact O-N 3.08Å; L366-F368 PolarHBondContact O-N 3.03Å; F368-L371 PolarHBondContact O-N 2.69Å; F368-S372 WeakPolarHBondContact O-CB 3.24Å; F368-S372 PolarHBondContact O-N 3.04Å; F368-S372 PolarHBondContact O-OG 3.12Å
369	K	80.6	Confident	77.4	Confident	113 Å²	113	50.8 Å²	50.8	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-49.5	174.8	-174.1	-179.6	178.2	-174.7	0	110.7	S365 L366 L371 S372 V373	S365-K369 WeakPolarHBondContact O-CB 3.36Å; S365-K369 PolarHBondContact O-N 3.42Å; L366-K369 WeakPolarHBondContact O-CB 3.17Å; L366-K369 PolarHBondContact O-N 3.4Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 3.44Å; K369-S372 PolarHBondContact O-N 3.36Å; K369-S372 VanDerWaalsContact O-N 3.12Å; K369-S372 PolarHBondContact O-OG 3.38Å; K369-V373 WeakPolarHBondContact O-CG2 3.47Å; K369-V373 PolarHBondContact O-N 2.91Å
370	D	78.2	Confident	77.2	Confident	61 Å²	61	48.6 Å²	48.6	33%	0.326	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-39.9	179.3	-74.2	-9.8	0	0	0	111.9	N162 L366 M367 S372 C374	N162-D370 VanDerWaalsContact ND2-CB 3.34Å; N162-D370 WeakPolarHBondContact ND2-CB 3.41Å; N162-D370 PolarHBondContact ND2-OD2 3Å; L366-D370 PolarHBondContact O-N 3.38Å; M367-D370 PolarHBondContact O-N 3.28Å; D370-S372 VanDerWaalsContact C-N 3.35Å; D370-C374 VanDerWaalsContact O-CB 3.24Å; D370-C374 WeakPolarHBondContact O-CB 3.4Å; D370-C374 PolarHBondContact O-SG 3.28Å
371	L	77.4	Confident	76.6	Confident	30 Å²	30	51.4 Å²	51.4	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-31.5	175.5	-69.4	170.7	0	0	0	112.8	K163 Y166 M367 F368 K369 C374 T375	K163-L371 HydrophobicContact CB-CD2 4.09Å; Y166-L371 HydrophobicContact CD2-CD1 3.98Å; Y166-L371 HydrophobicContact CG-CD1 3.83Å; M367-L371 HydrophobicContact CG-CD1 4.1Å; M367-L371 WeakPolarHBondContact O-CB 3.46Å; M367-L371 VanDerWaalsContact O-CG 3.23Å; M367-L371 WeakPolarHBondContact O-CG 3.17Å; M367-L371 PolarHBondContact O-N 2.64Å; F368-L371 PolarHBondContact O-N 2.69Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 3.44Å; L371-C374 VanDerWaalsContact O-CB 3.31Å; L371-C374 WeakPolarHBondContact O-CB 3.31Å; L371-C374 PolarHBondContact O-N 2.77Å; L371-T375 PolarHBondContact O-N 2.72Å
372	S	73.8	Confident	75.9	Confident	65 Å²	65	53.9 Å²	53.9	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-75.3	-32.3	177.7	72.9	0	0	0	0	114.1	F368 K369 D370 C374 T375	F368-S372 WeakPolarHBondContact O-CB 3.24Å; F368-S372 PolarHBondContact O-N 3.04Å; F368-S372 PolarHBondContact O-OG 3.12Å; K369-S372 PolarHBondContact O-N 3.36Å; K369-S372 VanDerWaalsContact O-N 3.12Å; K369-S372 PolarHBondContact O-OG 3.38Å; D370-S372 VanDerWaalsContact C-N 3.35Å; S372-C374 PolarHBondContact O-N 3Å; S372-T375 PolarHBondContact O-N 3.1Å; S372-T375 PolarHBondContact O-OG1 2.69Å
373	V	63.7	Low	75.5	Confident	114 Å²	114	56.7 Å²	56.7	69%	0.691	32%	0.323	S	S	*	.	H	α-helix	trans	-66.4	-22.8	172.7	173.3	0	0	0	0	111.1	K369	K369-V373 WeakPolarHBondContact O-CG2 3.47Å; K369-V373 PolarHBondContact O-N 2.91Å
374	C	50.7	Low	74.7	Confident	52 Å²	52	60 Å²	60	35%	0.351	34%	0.34	S	S	.	.	H	α-helix	trans	-88.4	-26.5	-173.7	-85	0	0	0	0	109.8	W151 D370 L371 S372	W151-C374 HydrophobicContact CE3-CB 4.44Å; W151-C374 VanDerWaalsContact CH2-CA 3.48Å; W151-C374 HydrophobicContact CH2-CB 3.17Å; W151-C374 WeakPolarHBondContact CH2-O 2.87Å; W151-C374 HydrophobicContact CZ2-CB 4.46Å; W151-C374 HydrophobicContact CZ3-CB 3.17Å; W151-C374 WeakPolarHBondContact CZ3-O 2.9Å; D370-C374 VanDerWaalsContact O-CB 3.24Å; D370-C374 WeakPolarHBondContact O-CB 3.4Å; D370-C374 PolarHBondContact O-SG 3.28Å; L371-C374 VanDerWaalsContact O-CB 3.31Å; L371-C374 WeakPolarHBondContact O-CB 3.31Å; L371-C374 PolarHBondContact O-N 2.77Å; S372-C374 PolarHBondContact O-N 3Å
375	T	46.4	Very low	73.5	Confident	147 Å²	147	65.5 Å²	65.5	90%	0.902	37%	0.371	S	S	*	.			trans	-86.5	0	176.4	53.2	0	0	0	0	112.3	W151 L371 S372	W151-T375 HydrophobicContact CH2-CG2 4.12Å; W151-T375 HydrophobicContact CZ2-CG2 3.89Å; L371-T375 PolarHBondContact O-N 2.72Å; S372-T375 PolarHBondContact O-N 3.1Å; S372-T375 PolarHBondContact O-OG1 2.69Å

Retrieved 375 of 375 residues in 551.5 ms (Link to these results)

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