A0A3Q0KGG9_SCHMA Loading...

Transmembrane protein 186

AlphaFold DB , UniProt , Accession A0A3Q0KGG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 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	45.1	Very low	40.4	Very low	226 Å²	226	138.2 Å²	138.2	100%	1.113	73%	0.734	S	S	*	*				0	44.1	0	-83	171.2	163.8	0	0	109
2	D	47.4	Very low	40.3	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	70%	0.698	S	S	*	*			trans	-119.2	-13.1	-157.1	-61.3	-77.2	0	0	0	114.3
3	L	38.2	Very low	40.2	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	71%	0.713	S	S	*	*	H	α-helix	trans	-79.4	-27.7	177.4	-102.1	94	0	0	0	114.4	F5 V6 F7	L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 PolarHBondContact O-N 3.01Å; L3-V6 PolarHBondContact O-N 2.68Å; L3-F7 PolarHBondContact O-N 3.02Å
4	C	37.4	Very low	40.6	Very low	113 Å²	113	134.1 Å²	134.1	76%	0.764	70%	0.695	S	S	*	*	H	α-helix	trans	-66.3	-29	-179.8	-88.4	0	0	0	0	113.1	S8	C4-S8 PolarHBondContact O-N 3.45Å
5	F	38.5	Very low	40.7	Very low	132 Å²	132	133.8 Å²	133.8	58%	0.579	71%	0.705	S	S	*	*	H	α-helix	trans	-72.8	-37.1	-178.4	-131.9	-91.7	0	0	0	112	L3 L9	L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 PolarHBondContact O-N 3.01Å; F5-L9 PolarHBondContact O-N 3.13Å
6	V	40.8	Very low	41.2	Very low	104 Å²	104	130.6 Å²	130.6	63%	0.63	69%	0.687	S	S	*	*	H	α-helix	trans	-69.4	-40.5	179.3	-178.9	0	0	0	0	111.1	L3 S8 L9	L3-V6 PolarHBondContact O-N 2.68Å; V6-S8 PolarHBondContact O-N 3.34Å; V6-L9 PolarHBondContact O-N 3.37Å
7	F	33.8	Very low	41.4	Very low	181 Å²	181	134.5 Å²	134.5	79%	0.794	70%	0.697	S	S	*	*	H	α-helix	trans	-71.4	-29.3	-178.7	-131.5	-92.4	0	0	0	113.2	L3	L3-F7 PolarHBondContact O-N 3.02Å
8	S	42.4	Very low	41.6	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	71%	0.705	S	S	*	*	H	α-helix	trans	-74.7	-28.5	178	-145	0	0	0	0	113.1	C4 V6 S10	C4-S8 PolarHBondContact O-N 3.45Å; V6-S8 PolarHBondContact O-N 3.34Å; S8-S10 VanDerWaalsContact C-N 3.31Å; S8-S10 PolarHBondContact O-N 3.05Å
9	L	39	Very low	42	Very low	76 Å²	76	133.9 Å²	133.9	40%	0.398	70%	0.703	S	S	.	*	H	α-helix	trans	-65.7	-31.5	176.3	-83.4	160.2	0	0	0	112.9	F5 V6 K11 M12 I129	F5-L9 PolarHBondContact O-N 3.13Å; V6-L9 PolarHBondContact O-N 3.37Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3Å; L9-M12 WeakPolarHBondContact O-CB 2.98Å; L9-M12 PolarHBondContact O-N 3.16Å; L9-M12 VanDerWaalsContact O-N 3.14Å; L9-I129 HydrophobicContact CD2-CG2 4.17Å
10	S	39.4	Very low	42.3	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-22.3	-175.4	-164	0	0	0	0	114	S8	S8-S10 VanDerWaalsContact C-N 3.31Å; S8-S10 PolarHBondContact O-N 3.05Å
11	K	42.5	Very low	42.3	Very low	199 Å²	199	132 Å²	132	87%	0.865	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-2.7	175	-89.3	-162.4	174.8	178.7	0	114.6	L9 K13	L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3Å; K11-K13 PolarHBondContact O-N 3.09Å; K11-K13 VanDerWaalsContact O-N 3.08Å
12	M	38.7	Very low	42.4	Very low	61 Å²	61	129.1 Å²	129.1	30%	0.3	67%	0.671	S	S	.	*			trans	-85.5	88.1	-175	-149.3	175	174.2	0	0	109.9	L9 I14 M136	L9-M12 WeakPolarHBondContact O-CB 2.98Å; L9-M12 PolarHBondContact O-N 3.16Å; L9-M12 VanDerWaalsContact O-N 3.14Å; M12-I14 HydrophobicContact CB-CD1 4.38Å; M12-I14 HydrophobicContact CB-CG1 4.15Å; M12-I14 HydrophobicContact CE-CG1 4.39Å; M12-I14 HydrophobicContact CG-CD1 4.21Å; M12-I14 HydrophobicContact CG-CG1 3.72Å; M12-I14 WeakPolarHBondContact O-CG1 3.22Å; M12-I14 PolarHBondContact O-N 3.41Å; M12-I14 HydrophobicContact SD-CD1 4.24Å; M12-I14 HydrophobicContact SD-CG1 4.2Å; M12-M136 HydrophobicContact CE-CE 3.48Å; M12-M136 VanDerWaalsContact CE-CE 3.48Å
13	K	39	Very low	42.4	Very low	206 Å²	206	127.2 Å²	127.2	90%	0.896	66%	0.657	S	S	*	*			trans	-71.6	81.8	171	-168.7	165.4	-175.3	173	0	109	K11 P15	K11-K13 PolarHBondContact O-N 3.09Å; K11-K13 VanDerWaalsContact O-N 3.08Å; K13-P15 VanDerWaalsContact O-CD 3.31Å; K13-P15 WeakPolarHBondContact O-CD 2.95Å
14	I	45.8	Very low	42.7	Very low	90 Å²	90	127.7 Å²	127.7	46%	0.462	65%	0.649	S	S	.	*			trans	-83.3	115.7	179.7	-48.6	150.2	0	0	0	107.9	M12 M16	M12-I14 HydrophobicContact CB-CD1 4.38Å; M12-I14 HydrophobicContact CB-CG1 4.15Å; M12-I14 HydrophobicContact CE-CG1 4.39Å; M12-I14 HydrophobicContact CG-CD1 4.21Å; M12-I14 HydrophobicContact CG-CG1 3.72Å; M12-I14 WeakPolarHBondContact O-CG1 3.22Å; M12-I14 PolarHBondContact O-N 3.41Å; M12-I14 HydrophobicContact SD-CD1 4.24Å; M12-I14 HydrophobicContact SD-CG1 4.2Å; I14-M16 VanDerWaalsContact C-N 3.27Å; I14-M16 HydrophobicContact CB-CG 4.13Å; I14-M16 HydrophobicContact CG2-CB 4.17Å; I14-M16 HydrophobicContact CG2-CG 3.28Å; I14-M16 PolarHBondContact O-N 2.94Å
15	P	42.3	Very low	43	Very low	130 Å²	130	124.4 Å²	124.4	84%	0.844	63%	0.627	S	S	*	*			trans	-76.2	79.7	174.6	31.6	-33.2	0	0	0	109.5	K13	K13-P15 VanDerWaalsContact O-CD 3.31Å; K13-P15 WeakPolarHBondContact O-CD 2.95Å
16	M	49.2	Very low	43.1	Very low	83 Å²	83	121.5 Å²	121.5	41%	0.409	62%	0.622	S	S	.	*			trans	-98.6	-10.1	-167.8	-100.2	-90	-83.5	0	0	116.4	I14	I14-M16 VanDerWaalsContact C-N 3.27Å; I14-M16 HydrophobicContact CB-CG 4.13Å; I14-M16 HydrophobicContact CG2-CB 4.17Å; I14-M16 HydrophobicContact CG2-CG 3.28Å; I14-M16 PolarHBondContact O-N 2.94Å
17	F	44.1	Very low	43.4	Very low	196 Å²	196	119.6 Å²	119.6	86%	0.86	61%	0.613	S	S	*	*	S	Bend	trans	-101.8	-15.8	-163.8	-113.8	-97.7	0	0	0	117.2	R19	F17-R19 PolarHBondContact O-N 2.9Å
18	G	45.2	Very low	44	Very low	81 Å²	81	117.4 Å²	117.4	84%	0.835	60%	0.601	S	S	*	*	S	Bend	trans	-84.4	-3.4	-167.5	0	0	0	0	0	118.1
19	R	50.1	Low	44.3	Very low	178 Å²	178	118.8 Å²	118.8	67%	0.672	60%	0.601	S	S	*	*	S	Bend	trans	-129.1	3.2	-169.9	-83	-174.4	-173.8	166.6	3.3	117	F17 N21 K22	F17-R19 PolarHBondContact O-N 2.9Å; R19-N21 PolarHBondContact O-N 2.95Å; R19-K22 PolarHBondContact O-N 3.31Å
20	F	46.6	Very low	44.8	Very low	89 Å²	89	120.4 Å²	120.4	39%	0.39	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-29.5	-179.5	-95.4	-89	0	0	0	113.7	K22 F23 Y24	F20-K22 PolarHBondContact O-N 3.3Å; F20-K22 VanDerWaalsContact O-N 3.16Å; F20-F23 PolarHBondContact O-N 3.35Å; F20-F23 VanDerWaalsContact O-N 3.11Å; F20-Y24 WeakPolarHBondContact O-CD2 3.29Å
21	N	42.9	Very low	45.2	Very low	139 Å²	139	120 Å²	120	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-61.8	-25.7	179.2	-87.6	-4.1	0	0	0	114.5	R19 F23	R19-N21 PolarHBondContact O-N 2.95Å; N21-F23 VanDerWaalsContact C-N 3.28Å; N21-F23 PolarHBondContact O-N 2.96Å
22	K	46.8	Very low	45.6	Very low	164 Å²	164	119.2 Å²	119.2	71%	0.713	61%	0.606	S	S	*	*	H	α-helix	trans	-77.7	-16.1	179.9	-145	166.5	-170.8	167.8	0	112.9	R19 F20	R19-K22 PolarHBondContact O-N 3.31Å; F20-K22 PolarHBondContact O-N 3.3Å; F20-K22 VanDerWaalsContact O-N 3.16Å
23	F	47.8	Very low	45.7	Very low	93 Å²	93	119.1 Å²	119.1	41%	0.408	61%	0.611	S	S	.	*	H	α-helix	trans	-81.4	-41	177.6	-112.9	-91.1	0	0	0	112.2	F20 N21 S25 C26 S27 I87 W159	F20-F23 PolarHBondContact O-N 3.35Å; F20-F23 VanDerWaalsContact O-N 3.11Å; N21-F23 VanDerWaalsContact C-N 3.28Å; N21-F23 PolarHBondContact O-N 2.96Å; F23-S25 PolarHBondContact O-N 3.32Å; F23-S25 VanDerWaalsContact O-N 3.12Å; F23-C26 PolarHBondContact O-N 2.87Å; F23-S27 PolarHBondContact O-N 2.94Å; F23-S27 PolarHBondContact O-OG 3.49Å; F23-S27 VanDerWaalsContact O-OG 3.08Å; F23-I87 HydrophobicContact CE1-CG2 4.15Å; F23-I87 HydrophobicContact CZ-CG2 3.89Å; F23-W159 AromaticContact CD2-CZ3 3.89Å; F23-W159 HydrophobicContact CD2-CZ3 3.89Å; F23-W159 AromaticContact CE2-CE3 3.69Å; F23-W159 HydrophobicContact CE2-CE3 3.69Å; F23-W159 HydrophobicContact CE2-CH2 4.38Å; F23-W159 AromaticContact CE2-CZ3 3.36Å; F23-W159 HydrophobicContact CE2-CZ3 3.36Å; F23-W159 HydrophobicContact CZ-CE3 4.3Å; F23-W159 AromaticContact CZ-CZ3 3.96Å; F23-W159 HydrophobicContact CZ-CZ3 3.96Å
24	Y	43.8	Very low	45.7	Very low	163 Å²	163	114.4 Å²	114.4	64%	0.639	60%	0.604	S	S	*	*	H	α-helix	trans	-55.2	-30.8	170.3	-71.4	-79.6	0	0	0	111.6	F20 C26 S27 Y28	F20-Y24 WeakPolarHBondContact O-CD2 3.29Å; Y24-C26 VanDerWaalsContact C-N 3.34Å; Y24-C26 PolarHBondContact O-N 3.12Å; Y24-S27 PolarHBondContact O-N 3.42Å; Y24-Y28 WeakPolarHBondContact O-CD1 3.47Å; Y24-Y28 PolarHBondContact O-N 2.72Å
25	S	44.2	Very low	45.2	Very low	44 Å²	44	117.9 Å²	117.9	31%	0.308	62%	0.623	S	S	.	*	H	α-helix	trans	-66.9	-29.2	175.6	-90.1	0	0	0	0	116.9	F23 Y28	F23-S25 PolarHBondContact O-N 3.32Å; F23-S25 VanDerWaalsContact O-N 3.12Å; S25-Y28 VanDerWaalsContact CA-CZ 3.5Å; S25-Y28 VanDerWaalsContact CB-OH 3.26Å; S25-Y28 WeakPolarHBondContact CB-OH 3.2Å; S25-Y28 WeakPolarHBondContact O-CD2 3.47Å; S25-Y28 WeakPolarHBondContact O-CE2 3.41Å; S25-Y28 WeakPolarHBondContact OG-CE1 3.02Å; S25-Y28 VanDerWaalsContact OG-CZ 3.28Å; S25-Y28 PolarHBondContact OG-OH 3.06Å
26	C	40.7	Very low	44.9	Very low	70 Å²	70	119.1 Å²	119.1	47%	0.473	62%	0.615	S	S	.	*	H	α-helix	trans	-84.4	-30.8	177.6	-149.7	0	0	0	0	110.7	F23 Y24 L29 L30	F23-C26 PolarHBondContact O-N 2.87Å; Y24-C26 VanDerWaalsContact C-N 3.34Å; Y24-C26 PolarHBondContact O-N 3.12Å; C26-L29 PolarHBondContact O-N 3.43Å; C26-L30 PolarHBondContact O-N 3.18Å; C26-L30 VanDerWaalsContact O-N 3.16Å
27	S	48.3	Very low	44.5	Very low	64 Å²	64	118.8 Å²	118.8	45%	0.448	62%	0.621	S	S	.	*	H	α-helix	trans	-67.4	-37.8	178.9	-46.8	0	0	0	0	112.9	F23 Y24 L29 L30 S31	F23-S27 PolarHBondContact O-N 2.94Å; F23-S27 PolarHBondContact O-OG 3.49Å; F23-S27 VanDerWaalsContact O-OG 3.08Å; Y24-S27 PolarHBondContact O-N 3.42Å; S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 3.22Å; S27-L30 PolarHBondContact O-N 3.06Å; S27-S31 WeakPolarHBondContact O-CB 3.45Å; S27-S31 PolarHBondContact O-N 3.11Å; S27-S31 VanDerWaalsContact O-N 3.08Å
28	Y	44.9	Very low	44.4	Very low	135 Å²	135	116.9 Å²	116.9	53%	0.529	62%	0.619	S	S	.	*	H	α-helix	trans	-70.3	-28.2	177.2	64.8	-122.4	0	0	0	113.2	Y24 S25	Y24-Y28 WeakPolarHBondContact O-CD1 3.47Å; Y24-Y28 PolarHBondContact O-N 2.72Å; S25-Y28 VanDerWaalsContact CA-CZ 3.5Å; S25-Y28 VanDerWaalsContact CB-OH 3.26Å; S25-Y28 WeakPolarHBondContact CB-OH 3.2Å; S25-Y28 WeakPolarHBondContact O-CD2 3.47Å; S25-Y28 WeakPolarHBondContact O-CE2 3.41Å; S25-Y28 WeakPolarHBondContact OG-CE1 3.02Å; S25-Y28 VanDerWaalsContact OG-CZ 3.28Å; S25-Y28 PolarHBondContact OG-OH 3.06Å
29	L	48.2	Very low	44	Very low	122 Å²	122	122.7 Å²	122.7	64%	0.639	62%	0.616	S	S	*	*	H	α-helix	trans	-77.1	-29.6	175	-67.7	176.4	0	0	0	112.2	C26 S27	C26-L29 PolarHBondContact O-N 3.43Å; S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 3.22Å
30	L	49.6	Very low	43.5	Very low	110 Å²	110	122.2 Å²	122.2	58%	0.576	62%	0.619	S	S	*	*	H	α-helix	trans	-80.4	-18	175.9	-81.4	159.9	0	0	0	113.3	C26 S27	C26-L30 PolarHBondContact O-N 3.18Å; C26-L30 VanDerWaalsContact O-N 3.16Å; S27-L30 PolarHBondContact O-N 3.06Å
31	S	48.4	Very low	43.1	Very low	104 Å²	104	123.6 Å²	123.6	73%	0.727	64%	0.636	S	S	*	*	S	Bend	trans	-86.1	-9.8	-177.7	-166.6	0	0	0	0	114.8	S27	S27-S31 WeakPolarHBondContact O-CB 3.45Å; S27-S31 PolarHBondContact O-N 3.11Å; S27-S31 VanDerWaalsContact O-N 3.08Å
32	Q	50.2	Low	42.6	Very low	181 Å²	181	125.9 Å²	125.9	85%	0.846	64%	0.64	S	S	*	*	S	Bend	trans	-101.4	-9.4	178.3	-89.6	-172	6.6	0	0	114.5	S34	Q32-S34 PolarHBondContact O-N 3.17Å
33	S	42.5	Very low	42.1	Very low	59 Å²	59	122 Å²	122	41%	0.413	63%	0.632	S	S	.	*			trans	-95.7	92.8	174.3	55.4	0	0	0	0	110.7	L35	S33-L35 PolarHBondContact O-N 3.4Å
34	S	38.2	Very low	41.7	Very low	107 Å²	107	120.7 Å²	120.7	75%	0.748	64%	0.635	S	S	*	*	S	Bend	trans	-54.3	127.9	149.7	53.2	0	0	0	0	108	Q32	Q32-S34 PolarHBondContact O-N 3.17Å
35	L	34.3	Very low	41.6	Very low	163 Å²	163	115.9 Å²	115.9	85%	0.853	63%	0.625	S	S	*	*			trans	89.5	91.3	-168.4	-57.4	159.9	0	0	0	113.6	S33	S33-L35 PolarHBondContact O-N 3.4Å
36	F	37.2	Very low	41.5	Very low	156 Å²	156	117 Å²	117	68%	0.684	63%	0.627	S	S	*	*			trans	-140.2	89.4	148.2	-146.3	-103	0	0	0	109.4	L38	F36-L38 PolarHBondContact O-N 3.32Å
37	S	40.9	Very low	41.7	Very low	77 Å²	77	120.9 Å²	120.9	54%	0.538	64%	0.638	S	S	.	*			trans	-34	128.4	153.2	60.4	0	0	0	0	108.3	R39	S37-R39 PolarHBondContact O-N 3.05Å
38	L	41.5	Very low	41.5	Very low	156 Å²	156	122.5 Å²	122.5	82%	0.817	65%	0.646	S	S	*	*			trans	-61.9	67.6	161.8	-85	159.3	0	0	0	108.7	F36 F40	F36-L38 PolarHBondContact O-N 3.32Å; L38-F40 PolarHBondContact O-N 3.44Å
39	R	36.2	Very low	41.6	Very low	202 Å²	202	124.8 Å²	124.8	76%	0.762	65%	0.654	S	S	*	*			trans	-67.4	90.2	150.7	-91.3	-177.9	-177.4	-173.2	1.3	103.4	S37 P41	S37-R39 PolarHBondContact O-N 3.05Å; R39-P41 VanDerWaalsContact O-N 3.15Å
40	F	40.6	Very low	41.6	Very low	169 Å²	169	121.9 Å²	121.9	74%	0.741	64%	0.638	S	S	*	*			trans	-33.3	125.4	143.1	-68.4	-84.8	0	0	0	106.4	L38 K42	L38-F40 PolarHBondContact O-N 3.44Å; F40-K42 PolarHBondContact O-N 3.04Å
41	P	37.4	Very low	41.3	Very low	117 Å²	117	122.7 Å²	122.7	76%	0.76	64%	0.642	S	S	*	*			trans	-58.1	100.7	167.5	24.5	-29.7	0	0	0	104.4	R39 C43	R39-P41 VanDerWaalsContact O-N 3.15Å; P41-C43 PolarHBondContact O-N 3.36Å
42	K	32.9	Very low	41.2	Very low	187 Å²	187	122.6 Å²	122.6	81%	0.813	63%	0.63	S	S	*	*			trans	-53.2	105.1	168.2	-130.9	-178.9	-175.3	177.6	0	101.6	F40 S44	F40-K42 PolarHBondContact O-N 3.04Å; K42-S44 PolarHBondContact O-N 3.34Å; K42-S44 PolarHBondContact O-OG 2.89Å
43	C	37	Very low	41	Very low	82 Å²	82	117.5 Å²	117.5	55%	0.554	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	45.5	-170.9	-150.1	0	0	0	0	109.9	P41 S45	P41-C43 PolarHBondContact O-N 3.36Å; C43-S45 VanDerWaalsContact C-N 3.27Å
44	S	38.3	Very low	41.3	Very low	67 Å²	67	121.9 Å²	121.9	47%	0.469	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	-21.6	167.5	57.2	0	0	0	0	110.6	K42 L46 Q47 T48	K42-S44 PolarHBondContact O-N 3.34Å; K42-S44 PolarHBondContact O-OG 2.89Å; S44-L46 PolarHBondContact O-N 2.87Å; S44-Q47 PolarHBondContact O-N 2.96Å; S44-T48 PolarHBondContact O-N 3.25Å; S44-T48 PolarHBondContact O-OG1 3.39Å
45	S	41.5	Very low	41.4	Very low	61 Å²	61	122.6 Å²	122.6	43%	0.427	62%	0.624	S	S	.	*	H	α-helix	trans	-66.5	-13.9	171.7	65.2	0	0	0	0	113.8	C43 R49	C43-S45 VanDerWaalsContact C-N 3.27Å; S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 VanDerWaalsContact O-CG 3.27Å; S45-R49 WeakPolarHBondContact O-CG 3.1Å; S45-R49 PolarHBondContact O-N 3.27Å
46	L	42.6	Very low	41.8	Very low	68 Å²	68	120.9 Å²	120.9	36%	0.356	61%	0.61	S	S	.	*	H	α-helix	trans	-77.3	-29.2	170.2	-92.1	-179.8	0	0	0	112.6	S44 L50 A77	S44-L46 PolarHBondContact O-N 2.87Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.29Å; L46-L50 PolarHBondContact O-N 3.33Å; L46-L50 VanDerWaalsContact O-N 3.17Å; L46-A77 HydrophobicContact CD1-CB 4.32Å
47	Q	45.8	Very low	42.2	Very low	151 Å²	151	117.6 Å²	117.6	71%	0.706	60%	0.603	S	S	*	*	H	α-helix	trans	-74.9	-41	171.4	-93.1	176.2	-63.2	0	0	111	S44 R49 L50 L51	S44-Q47 PolarHBondContact O-N 2.96Å; Q47-R49 VanDerWaalsContact C-N 3.33Å; Q47-R49 PolarHBondContact O-N 3.09Å; Q47-L50 PolarHBondContact O-N 3.18Å; Q47-L50 VanDerWaalsContact O-N 3.11Å; Q47-L51 PolarHBondContact O-N 3.1Å
48	T	44.2	Very low	42.4	Very low	98 Å²	98	121.3 Å²	121.3	60%	0.601	61%	0.611	S	S	*	*	H	α-helix	trans	-67.5	-33.8	176.7	-34.6	0	0	0	0	112	S44 L50 H52	S44-T48 PolarHBondContact O-N 3.25Å; S44-T48 PolarHBondContact O-OG1 3.39Å; T48-L50 VanDerWaalsContact C-N 3.34Å; T48-H52 WeakPolarHBondContact O-CB 3.4Å; T48-H52 PolarHBondContact O-N 3.18Å
49	R	45.2	Very low	42.4	Very low	184 Å²	184	120.7 Å²	120.7	69%	0.694	61%	0.608	S	S	*	*	H	α-helix	trans	-75	-19.7	172.1	-73.8	-173.4	-157.9	-130.3	5.7	113.8	S45 Q47 S53	S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 VanDerWaalsContact O-CG 3.27Å; S45-R49 WeakPolarHBondContact O-CG 3.1Å; S45-R49 PolarHBondContact O-N 3.27Å; Q47-R49 VanDerWaalsContact C-N 3.33Å; Q47-R49 PolarHBondContact O-N 3.09Å; R49-S53 WeakPolarHBondContact O-CB 3.35Å; R49-S53 PolarHBondContact O-N 3.47Å
50	L	48.8	Very low	42.7	Very low	61 Å²	61	118.5 Å²	118.5	32%	0.319	60%	0.604	S	S	.	*	H	α-helix	trans	-81.5	-42.4	175.5	-85.2	170	0	0	0	112.5	L46 Q47 T48 H52 S53 E54 R72	L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.29Å; L46-L50 PolarHBondContact O-N 3.33Å; L46-L50 VanDerWaalsContact O-N 3.17Å; Q47-L50 PolarHBondContact O-N 3.18Å; Q47-L50 VanDerWaalsContact O-N 3.11Å; T48-L50 VanDerWaalsContact C-N 3.34Å; L50-H52 VanDerWaalsContact C-N 3.33Å; L50-S53 PolarHBondContact O-N 3.49Å; L50-S53 VanDerWaalsContact O-N 3.12Å; L50-E54 PolarHBondContact O-N 3.41Å; L50-E54 VanDerWaalsContact O-N 3.09Å; L50-R72 VanDerWaalsContact CD1-NH1 3.34Å
51	L	43.4	Very low	42.3	Very low	126 Å²	126	113.5 Å²	113.5	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-70.1	-33.8	170.9	-62.7	-157.7	0	0	0	111.9	Q47 S53 E54 N55	Q47-L51 PolarHBondContact O-N 3.1Å; L51-S53 PolarHBondContact O-N 3.04Å; L51-E54 PolarHBondContact O-N 3.28Å; L51-N55 PolarHBondContact O-N 2.94Å; L51-N55 VanDerWaalsContact O-N 3.13Å
52	H	45.7	Very low	42.3	Very low	103 Å²	103	115.2 Å²	115.2	48%	0.477	60%	0.603	S	S	.	*	H	α-helix	trans	-73.6	-15.8	171.1	-160.9	63.9	0	0	0	112.7	T48 L50 K56	T48-H52 WeakPolarHBondContact O-CB 3.4Å; T48-H52 PolarHBondContact O-N 3.18Å; L50-H52 VanDerWaalsContact C-N 3.33Å; H52-K56 VanDerWaalsContact O-CB 3.29Å; H52-K56 WeakPolarHBondContact O-CB 3.38Å; H52-K56 PolarHBondContact O-N 3.14Å
53	S	46.5	Very low	42.8	Very low	73 Å²	73	115.5 Å²	115.5	51%	0.51	60%	0.604	S	S	.	*	H	α-helix	trans	-84.3	-27.1	172.4	-173.2	0	0	0	0	112.4	R49 L50 L51 T57	R49-S53 WeakPolarHBondContact O-CB 3.35Å; R49-S53 PolarHBondContact O-N 3.47Å; L50-S53 PolarHBondContact O-N 3.49Å; L50-S53 VanDerWaalsContact O-N 3.12Å; L51-S53 PolarHBondContact O-N 3.04Å; S53-T57 PolarHBondContact O-OG1 2.69Å
54	E	48.3	Very low	43.1	Very low	151 Å²	151	116.4 Å²	116.4	71%	0.706	60%	0.599	S	S	*	*	H	α-helix	trans	-70.8	-42.4	166.9	-75.7	-153.9	111.3	0	0	110.5	L50 L51 T57	L50-E54 PolarHBondContact O-N 3.41Å; L50-E54 VanDerWaalsContact O-N 3.09Å; L51-E54 PolarHBondContact O-N 3.28Å; E54-T57 WeakPolarHBondContact O-CB 3.45Å; E54-T57 PolarHBondContact O-N 2.78Å; E54-T57 PolarHBondContact O-OG1 3.2Å
55	N	40.4	Very low	43.9	Very low	123 Å²	123	119.2 Å²	119.2	66%	0.658	61%	0.605	S	S	*	*	H	α-helix	trans	-83.2	-13.5	-175.3	-125.5	-9.8	0	0	0	115.4	L51 T57	L51-N55 PolarHBondContact O-N 2.94Å; L51-N55 VanDerWaalsContact O-N 3.13Å; N55-T57 VanDerWaalsContact C-N 3.29Å
56	K	43.9	Very low	44.7	Very low	127 Å²	127	118 Å²	118	55%	0.552	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-4.8	170.9	-117.2	176	176.7	166.8	0	114.1	H52 E58	H52-K56 VanDerWaalsContact O-CB 3.29Å; H52-K56 WeakPolarHBondContact O-CB 3.38Å; H52-K56 PolarHBondContact O-N 3.14Å; K56-E58 PolarHBondContact O-N 2.99Å
57	T	45.6	Very low	45.8	Very low	87 Å²	87	118 Å²	118	53%	0.534	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-15.2	176.7	-40	0	0	0	0	111.8	S53 E54 N55 K64	S53-T57 PolarHBondContact O-OG1 2.69Å; E54-T57 WeakPolarHBondContact O-CB 3.45Å; E54-T57 PolarHBondContact O-N 2.78Å; E54-T57 PolarHBondContact O-OG1 3.2Å; N55-T57 VanDerWaalsContact C-N 3.29Å; T57-K64 WeakPolarHBondContact O-CE 3.39Å; T57-K64 PolarHBondContact O-NZ 2.82Å
58	E	44.8	Very low	47	Very low	154 Å²	154	112 Å²	112	72%	0.72	57%	0.565	S	S	*	*	S	Bend	trans	-92.5	-25.9	-178.6	-65.5	-86	88.9	0	0	112.8	K56 K64	K56-E58 PolarHBondContact O-N 2.99Å; E58-K64 PolarHBondContact O-NZ 2.9Å
59	L	40.7	Very low	48.2	Very low	143 Å²	143	110.1 Å²	110.1	75%	0.749	55%	0.554	S	S	*	*	S	Bend	trans	-108.7	43	-168.9	-143.6	174.9	0	0	0	113.9
60	F	42.7	Very low	49.5	Very low	156 Å²	156	101.4 Å²	101.4	68%	0.684	52%	0.521	S	S	*	.			trans	-128.6	60.4	161.1	-114.1	-88.7	0	0	0	107	D62 K64	F60-D62 PolarHBondContact O-N 3.09Å; F60-K64 VanDerWaalsContact C-CE 3.41Å; F60-K64 HydrophobicContact CB-CG 4.33Å; F60-K64 WeakPolarHBondContact O-CE 3.3Å; F60-K64 WeakPolarHBondContact O-CG 3.29Å
61	G	33.3	Very low	50.5	Low	64 Å²	64	98.7 Å²	98.7	66%	0.66	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	133.1	170.8	0	0	0	0	0	109.6
62	D	38	Very low	51.8	Low	154 Å²	154	96.1 Å²	96.1	82%	0.824	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-5.3	157.1	-145.4	30.3	0	0	0	120.3	F60	F60-D62 PolarHBondContact O-N 3.09Å
63	K	41.4	Very low	52.9	Low	192 Å²	192	91.5 Å²	91.5	84%	0.835	47%	0.467	S	S	*	.			trans	-156.5	54.1	160.2	-63.8	-166.9	-178.8	176.7	0	113.4	E65	K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 2.78Å
64	K	43.3	Very low	53.9	Low	101 Å²	101	95.8 Å²	95.8	44%	0.439	47%	0.472	S	S	.	.			trans	-74.5	77.8	-179.1	-64	-173.7	-173.1	167.3	0	112.1	T57 E58 F60 S66	T57-K64 WeakPolarHBondContact O-CE 3.39Å; T57-K64 PolarHBondContact O-NZ 2.82Å; E58-K64 PolarHBondContact O-NZ 2.9Å; F60-K64 VanDerWaalsContact C-CE 3.41Å; F60-K64 HydrophobicContact CB-CG 4.33Å; F60-K64 WeakPolarHBondContact O-CE 3.3Å; F60-K64 WeakPolarHBondContact O-CG 3.29Å; K64-S66 PolarHBondContact O-N 3.44Å
65	E	55.3	Low	54.8	Low	127 Å²	127	89.7 Å²	89.7	59%	0.593	45%	0.446	S	S	*	.			trans	-51.3	111.2	157.1	-81	-170.8	-171.2	0	0	109.1	K63 W67 H145	K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 2.78Å; E65-W67 PolarHBondContact O-N 2.74Å; E65-W67 PolarHBondContact OE2-NE1 3.43Å; E65-H145 WeakPolarHBondContact CA-NE2 3.46Å; E65-H145 WeakPolarHBondContact CB-NE2 3.36Å; E65-H145 WeakPolarHBondContact CG-NE2 3.47Å; E65-H145 IonicContact OE2-NE2 3.95Å
66	S	59.7	Low	56.4	Low	34 Å²	34	84.4 Å²	84.4	24%	0.238	42%	0.418	C	S	.	.			trans	-81.6	78	-166.7	54.7	0	0	0	0	111.2	K64 V68 R146	K64-S66 PolarHBondContact O-N 3.44Å; S66-V68 PolarHBondContact O-N 3.17Å; S66-R146 PolarHBondContact O-N 3.11Å; S66-R146 WeakPolarHBondContact OG-CD 3.48Å
67	W	65.8	Low	57.9	Low	70 Å²	70	80 Å²	80	27%	0.265	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111.1	174.5	-67.5	90.8	0	0	0	110.8	E65 I144 H145 L150 R152 I166	E65-W67 PolarHBondContact O-N 2.74Å; E65-W67 PolarHBondContact OE2-NE1 3.43Å; W67-I144 WeakPolarHBondContact CA-O 3.27Å; W67-H145 HydrophobicContact CD2-CB 4.29Å; W67-H145 AromaticContact CE2-CD2 3.61Å; W67-H145 HydrophobicContact CE3-CB 4.05Å; W67-H145 HydrophobicContact CH2-CB 3.9Å; W67-H145 HydrophobicContact CZ2-CB 4.14Å; W67-H145 AromaticContact CZ2-CD2 3.91Å; W67-H145 HydrophobicContact CZ3-CB 3.84Å; W67-H145 AromaticContact NE1-CD2 3.64Å; W67-L150 HydrophobicContact CH2-CB 3.92Å; W67-L150 HydrophobicContact CZ3-CB 4.39Å; W67-L150 WeakPolarHBondContact CZ3-O 3.48Å; W67-R152 HydrophobicContact CE3-CB 3.95Å; W67-R152 HydrophobicContact CH2-CB 4.09Å; W67-R152 HydrophobicContact CZ3-CB 3.46Å; W67-R152 VanDerWaalsContact CZ3-CB 3.46Å; W67-I166 HydrophobicContact CH2-CG2 4.16Å
68	V	69.8	Low	59.4	Low	25 Å²	25	82.4 Å²	82.4	15%	0.152	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.8	175.8	-178	0	0	0	0	109.9	S66 I70 S143 I144 R146	S66-V68 PolarHBondContact O-N 3.17Å; V68-I70 PolarHBondContact O-N 2.78Å; V68-S143 CarbonylContact O-C 3.57Å; V68-S143 WeakPolarHBondContact O-CA 3.35Å; V68-I144 PolarHBondContact N-O 2.99Å; V68-I144 PolarHBondContact O-N 2.89Å; V68-R146 HydrophobicContact CG2-CG 3.96Å
69	P	70	Confident	61	Low	57 Å²	57	77.9 Å²	77.9	37%	0.37	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.6	172.1	29.2	-31.6	0	0	0	109.8	L219	P69-L219 HydrophobicContact CG-CD2 4.35Å
70	I	72.8	Confident	62.9	Low	1 Å²	1	74.3 Å²	74.3	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-37.4	179.4	-62.7	-177.8	0	0	0	110.4	V68 V142 I144 L219 K223 F224 I227	V68-I70 PolarHBondContact O-N 2.78Å; I70-V142 PolarHBondContact N-O 3.47Å; I70-I144 HydrophobicContact CD1-CB 3.81Å; I70-I144 HydrophobicContact CD1-CD1 3.37Å; I70-I144 HydrophobicContact CD1-CG1 3.63Å; I70-I144 HydrophobicContact CG1-CB 4.46Å; I70-I144 HydrophobicContact CG1-CG1 4.43Å; I70-L219 PolarHBondContact O-N 3.29Å; I70-L219 VanDerWaalsContact O-N 3.1Å; I70-K223 HydrophobicContact CD1-CB 3.8Å; I70-K223 HydrophobicContact CG1-CB 4.47Å; I70-F224 HydrophobicContact CG2-CB 3.73Å; I70-F224 HydrophobicContact CG2-CD2 3.88Å; I70-F224 HydrophobicContact CG2-CG 4.31Å; I70-I227 HydrophobicContact CD1-CD1 3.89Å
71	Y	68.6	Low	64.8	Low	5 Å²	5	69.6 Å²	69.6	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.7	-172.4	175.7	-87.7	0	0	0	110.4	L73 V141 V142 L211 T212 S216 F224	Y71-L73 HydrophobicContact CE1-CB 3.95Å; Y71-L73 WeakPolarHBondContact OH-CD1 3.34Å; Y71-V141 WeakPolarHBondContact O-CA 3.29Å; Y71-V142 HydrophobicContact CD1-CG2 4.19Å; Y71-V142 PolarHBondContact N-O 3.46Å; Y71-V142 PolarHBondContact O-N 2.83Å; Y71-L211 HydrophobicContact CD1-CD2 4.32Å; Y71-L211 HydrophobicContact CE1-CD2 4.11Å; Y71-T212 PolarHBondContact OH-O 3.32Å; Y71-S216 WeakPolarHBondContact CE2-OG 3.31Å; Y71-S216 VanDerWaalsContact CZ-CB 3.42Å; Y71-F224 HydrophobicContact CD2-CE2 4.4Å
72	R	70.7	Confident	67.2	Low	71 Å²	71	70 Å²	70	27%	0.268	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.5	175.9	-168.5	176.7	-175	-157.2	3.7	110.7	L50 V141 S216 E217	L50-R72 VanDerWaalsContact CD1-NH1 3.34Å; R72-V141 HydrophobicContact CG-CG2 4.36Å; R72-S216 WeakPolarHBondContact O-CA 3.47Å; R72-E217 PolarHBondContact N-O 3.31Å; R72-E217 PolarHBondContact O-N 2.9Å
73	L	68.7	Low	69.2	Low	6 Å²	6	62.8 Å²	62.8	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.2	170.9	-165.7	80.5	0	0	0	109.2	Y71 S75 I76 I138 G140	Y71-L73 HydrophobicContact CE1-CB 3.95Å; Y71-L73 WeakPolarHBondContact OH-CD1 3.34Å; L73-S75 VanDerWaalsContact C-N 3.29Å; L73-S75 PolarHBondContact O-N 2.9Å; L73-I76 WeakPolarHBondContact O-CG2 3.42Å; L73-I138 HydrophobicContact CD2-CG2 3.8Å; L73-G140 WeakPolarHBondContact CB-O 3.37Å; L73-G140 PolarHBondContact N-O 3.3Å
74	R	68.5	Low	71.1	Confident	164 Å²	164	58 Å²	58	62%	0.619	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.4	176.4	-158.2	173.2	-158.3	145.3	-3.1	112.3	I76 A77 K215 E217	R74-I76 PolarHBondContact O-N 3.29Å; R74-I76 VanDerWaalsContact O-N 3.1Å; R74-A77 PolarHBondContact O-N 3.21Å; R74-K215 PolarHBondContact N-O 2.94Å; R74-E217 IonicContact NH1-OE1 2.99Å; R74-E217 PolarHBondContact NH1-OE1 3.43Å
75	S	67.5	Low	73.1	Confident	23 Å²	23	58.7 Å²	58.7	16%	0.161	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14	-178	-55.3	0	0	0	0	114.2	L73 A77 F78 F79	L73-S75 VanDerWaalsContact C-N 3.29Å; L73-S75 PolarHBondContact O-N 2.9Å; S75-A77 PolarHBondContact O-N 2.96Å; S75-A77 VanDerWaalsContact O-N 3.15Å; S75-F78 WeakPolarHBondContact O-CB 3.37Å; S75-F78 PolarHBondContact O-N 2.64Å; S75-F79 WeakPolarHBondContact O-CD2 3.25Å; S75-F79 PolarHBondContact O-N 3.48Å
76	I	73.1	Confident	74.6	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-53.6	-35.3	176.6	-174.7	146.5	0	0	0	113.5	L73 R74 F78 F79 Q80 L156	L73-I76 WeakPolarHBondContact O-CG2 3.42Å; R74-I76 PolarHBondContact O-N 3.29Å; R74-I76 VanDerWaalsContact O-N 3.1Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 3.02Å; I76-F79 PolarHBondContact O-N 2.66Å; I76-Q80 WeakPolarHBondContact O-CB 3.5Å; I76-Q80 PolarHBondContact O-N 3.48Å; I76-L156 HydrophobicContact CD1-CD1 3.21Å; I76-L156 HydrophobicContact CD1-CD2 4.29Å; I76-L156 HydrophobicContact CD1-CG 3.76Å; I76-L156 HydrophobicContact CG1-CD1 3.52Å; I76-L156 HydrophobicContact CG1-CD2 3.84Å; I76-L156 HydrophobicContact CG1-CG 3.88Å
77	A	76	Confident	75.8	Confident	35 Å²	35	54.7 Å²	54.7	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-35.8	-179.6	0	0	0	0	0	112	L46 R74 S75 Q80 A81	L46-A77 HydrophobicContact CD1-CB 4.32Å; R74-A77 PolarHBondContact O-N 3.21Å; S75-A77 PolarHBondContact O-N 2.96Å; S75-A77 VanDerWaalsContact O-N 3.15Å; A77-Q80 PolarHBondContact O-N 3.44Å; A77-A81 WeakPolarHBondContact O-CB 3.09Å; A77-A81 PolarHBondContact O-N 3.21Å
78	F	77.8	Confident	76.8	Confident	138 Å²	138	55.9 Å²	55.9	61%	0.605	28%	0.28	S	S	*	.	H	α-helix	trans	-66.8	-46.3	176.5	-72.7	-84.5	0	0	0	111.1	S75 I76 Q80 A81 I82	S75-F78 WeakPolarHBondContact O-CB 3.37Å; S75-F78 PolarHBondContact O-N 2.64Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 3.02Å; F78-Q80 VanDerWaalsContact C-N 3.3Å; F78-Q80 PolarHBondContact O-N 3.48Å; F78-A81 PolarHBondContact O-N 2.99Å; F78-I82 VanDerWaalsContact O-CG1 3.29Å; F78-I82 WeakPolarHBondContact O-CG1 3.41Å; F78-I82 PolarHBondContact O-N 3.48Å
79	F	77.3	Confident	77.6	Confident	58 Å²	58	58.8 Å²	58.8	25%	0.254	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-39.5	175.5	-73.2	-75	0	0	0	112	S75 I76 A81 I82 S83 F131 I138 L156	S75-F79 WeakPolarHBondContact O-CD2 3.25Å; S75-F79 PolarHBondContact O-N 3.48Å; I76-F79 PolarHBondContact O-N 2.66Å; F79-A81 PolarHBondContact O-N 2.81Å; F79-I82 PolarHBondContact O-N 3.1Å; F79-S83 VanDerWaalsContact O-CB 3.27Å; F79-S83 WeakPolarHBondContact O-CB 3.16Å; F79-S83 PolarHBondContact O-N 3.19Å; F79-F131 AromaticContact CD1-CE2 3.97Å; F79-F131 HydrophobicContact CD1-CE2 3.97Å; F79-F131 HydrophobicContact CD1-CZ 4.09Å; F79-F131 WeakPolarHBondContact O-CZ 3.43Å; F79-I138 HydrophobicContact CD1-CD1 3.62Å; F79-I138 HydrophobicContact CD2-CD1 3.9Å; F79-I138 HydrophobicContact CE1-CD1 3.33Å; F79-I138 HydrophobicContact CE2-CD1 3.63Å; F79-I138 HydrophobicContact CG-CD1 3.9Å; F79-I138 HydrophobicContact CZ-CD1 3.35Å; F79-L156 HydrophobicContact CB-CD2 4.4Å
80	Q	80.3	Confident	78.5	Confident	69 Å²	69	56.5 Å²	56.5	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-44	174.5	-175.3	177	-2.3	0	0	112	I76 A77 F78 Q84 L156 G160	I76-Q80 WeakPolarHBondContact O-CB 3.5Å; I76-Q80 PolarHBondContact O-N 3.48Å; A77-Q80 PolarHBondContact O-N 3.44Å; F78-Q80 VanDerWaalsContact C-N 3.3Å; F78-Q80 PolarHBondContact O-N 3.48Å; Q80-Q84 WeakPolarHBondContact O-CG 3.32Å; Q80-Q84 PolarHBondContact O-N 3.17Å; Q80-Q84 VanDerWaalsContact O-N 3.17Å; Q80-L156 HydrophobicContact CB-CD2 4.16Å; Q80-G160 PolarHBondContact NE2-O 3.11Å
81	A	82.3	Confident	79.2	Confident	57 Å²	57	58.3 Å²	58.3	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-44.8	178.3	0	0	0	0	0	112	A77 F78 F79 Q84 L85	A77-A81 WeakPolarHBondContact O-CB 3.09Å; A77-A81 PolarHBondContact O-N 3.21Å; F78-A81 PolarHBondContact O-N 2.99Å; F79-A81 PolarHBondContact O-N 2.81Å; A81-Q84 PolarHBondContact O-N 2.85Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 PolarHBondContact O-N 3.48Å
82	I	83.7	Confident	80.1	Confident	72 Å²	72	63.4 Å²	63.4	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-40.9	179.1	-64.1	165.8	0	0	0	110.8	F78 F79 Q84 L85 K86 F131	F78-I82 VanDerWaalsContact O-CG1 3.29Å; F78-I82 WeakPolarHBondContact O-CG1 3.41Å; F78-I82 PolarHBondContact O-N 3.48Å; F79-I82 PolarHBondContact O-N 3.1Å; I82-Q84 PolarHBondContact O-N 2.87Å; I82-L85 PolarHBondContact O-N 2.84Å; I82-K86 HydrophobicContact CG2-CG 4.19Å; I82-K86 WeakPolarHBondContact O-CB 3.41Å; I82-K86 WeakPolarHBondContact O-CG 3.35Å; I82-K86 PolarHBondContact O-N 3.21Å; I82-F131 HydrophobicContact CB-CE2 3.8Å; I82-F131 HydrophobicContact CB-CZ 3.79Å; I82-F131 HydrophobicContact CG2-CD2 3.8Å; I82-F131 HydrophobicContact CG2-CE1 4.43Å; I82-F131 HydrophobicContact CG2-CE2 3.29Å; I82-F131 HydrophobicContact CG2-CZ 3.67Å
83	S	80.1	Confident	80.9	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-54.2	-52.5	174.4	176.1	0	0	0	0	111.3	F79 K86 I87 F158 G160	F79-S83 VanDerWaalsContact O-CB 3.27Å; F79-S83 WeakPolarHBondContact O-CB 3.16Å; F79-S83 PolarHBondContact O-N 3.19Å; S83-K86 PolarHBondContact O-N 3Å; S83-I87 WeakPolarHBondContact O-CD1 3.24Å; S83-I87 VanDerWaalsContact O-CG1 3.25Å; S83-I87 WeakPolarHBondContact O-CG1 3.45Å; S83-I87 PolarHBondContact O-N 3.36Å; S83-F158 PolarHBondContact OG-O 3.41Å; S83-G160 PolarHBondContact OG-N 2.99Å
84	Q	82.7	Confident	81.6	Confident	91 Å²	91	66.3 Å²	66.3	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-43.5	-178.8	-69.8	178.5	10.7	0	0	111.6	Q80 A81 I82 K86 I87 I88	Q80-Q84 WeakPolarHBondContact O-CG 3.32Å; Q80-Q84 PolarHBondContact O-N 3.17Å; Q80-Q84 VanDerWaalsContact O-N 3.17Å; A81-Q84 PolarHBondContact O-N 2.85Å; I82-Q84 PolarHBondContact O-N 2.87Å; Q84-K86 PolarHBondContact O-N 3.38Å; Q84-I87 PolarHBondContact O-N 2.86Å; Q84-I88 VanDerWaalsContact O-CG1 3.29Å; Q84-I88 WeakPolarHBondContact O-CG1 3.34Å; Q84-I88 PolarHBondContact O-N 3.32Å
85	L	85.5	Confident	82.6	Confident	116 Å²	116	61.8 Å²	61.8	61%	0.607	34%	0.339	S	S	*	.	H	α-helix	trans	-62.1	-43.4	178.1	-176.8	61.7	0	0	0	111.6	A81 I82 I88 L89	A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 PolarHBondContact O-N 3.48Å; I82-L85 PolarHBondContact O-N 2.84Å; L85-I88 PolarHBondContact O-N 3.49Å; L85-L89 VanDerWaalsContact O-CB 3.29Å; L85-L89 WeakPolarHBondContact O-CB 3.36Å; L85-L89 PolarHBondContact O-N 3.42Å
86	K	85.6	Confident	83.4	Confident	56 Å²	56	62 Å²	62	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-44.7	177	-79.2	-73.2	-175.1	178.4	0	111.6	I82 S83 Q84 I88 L89 T90 S127	I82-K86 HydrophobicContact CG2-CG 4.19Å; I82-K86 WeakPolarHBondContact O-CB 3.41Å; I82-K86 WeakPolarHBondContact O-CG 3.35Å; I82-K86 PolarHBondContact O-N 3.21Å; S83-K86 PolarHBondContact O-N 3Å; Q84-K86 PolarHBondContact O-N 3.38Å; K86-I88 PolarHBondContact O-N 3.19Å; K86-L89 PolarHBondContact O-N 3.43Å; K86-T90 WeakPolarHBondContact O-CB 3.48Å; K86-T90 PolarHBondContact O-N 3.41Å; K86-T90 PolarHBondContact O-OG1 2.84Å; K86-S127 PolarHBondContact NZ-OG 3.42Å
87	I	84.3	Confident	84	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.108	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-45.6	178.2	-70.4	161.2	0	0	0	111.1	F23 S83 Q84 G91 L128 F158 W159	F23-I87 HydrophobicContact CE1-CG2 4.15Å; F23-I87 HydrophobicContact CZ-CG2 3.89Å; S83-I87 WeakPolarHBondContact O-CD1 3.24Å; S83-I87 VanDerWaalsContact O-CG1 3.25Å; S83-I87 WeakPolarHBondContact O-CG1 3.45Å; S83-I87 PolarHBondContact O-N 3.36Å; Q84-I87 PolarHBondContact O-N 2.86Å; I87-G91 PolarHBondContact O-N 3.43Å; I87-L128 HydrophobicContact CG1-CD1 4.49Å; I87-F158 HydrophobicContact CG1-CZ 4.44Å; I87-W159 HydrophobicContact CD1-CD2 4.26Å; I87-W159 HydrophobicContact CD1-CE3 3.58Å; I87-W159 HydrophobicContact CD1-CZ3 3.94Å; I87-W159 HydrophobicContact CG1-CE3 4.44Å; I87-W159 HydrophobicContact CG1-CZ3 4.32Å; I87-W159 HydrophobicContact CG2-CE3 4.28Å; I87-W159 HydrophobicContact CG2-CH2 4.46Å; I87-W159 HydrophobicContact CG2-CZ3 3.62Å
88	I	87.2	Confident	84.4	Confident	95 Å²	95	64.5 Å²	64.5	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-46.7	177.6	-67.5	165.4	0	0	0	110.1	Q84 L85 K86 T90 G91 L92	Q84-I88 VanDerWaalsContact O-CG1 3.29Å; Q84-I88 WeakPolarHBondContact O-CG1 3.34Å; Q84-I88 PolarHBondContact O-N 3.32Å; L85-I88 PolarHBondContact O-N 3.49Å; K86-I88 PolarHBondContact O-N 3.19Å; I88-T90 PolarHBondContact O-N 2.97Å; I88-G91 PolarHBondContact O-N 2.96Å; I88-L92 HydrophobicContact CG2-CD1 4.21Å; I88-L92 WeakPolarHBondContact O-CG 3.18Å; I88-L92 PolarHBondContact O-N 3.41Å
89	L	87.7	Confident	84.8	Confident	86 Å²	86	61.9 Å²	61.9	45%	0.45	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-46.1	-179.9	-176.3	65.7	0	0	0	111.9	L85 K86 L92 L93	L85-L89 VanDerWaalsContact O-CB 3.29Å; L85-L89 WeakPolarHBondContact O-CB 3.36Å; L85-L89 PolarHBondContact O-N 3.42Å; K86-L89 PolarHBondContact O-N 3.43Å; L89-L92 PolarHBondContact O-N 3.05Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 PolarHBondContact O-N 3.09Å
90	T	87.4	Confident	85.1	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.055	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-36.3	177.5	-54.4	0	0	0	0	111.4	K86 I88 L93 I94 S124 L125 L128	K86-T90 WeakPolarHBondContact O-CB 3.48Å; K86-T90 PolarHBondContact O-N 3.41Å; K86-T90 PolarHBondContact O-OG1 2.84Å; I88-T90 PolarHBondContact O-N 2.97Å; T90-L93 PolarHBondContact O-N 2.63Å; T90-I94 HydrophobicContact CG2-CD1 3.85Å; T90-I94 HydrophobicContact CG2-CG1 4.32Å; T90-I94 WeakPolarHBondContact O-CB 3.38Å; T90-I94 VanDerWaalsContact O-CG1 3.27Å; T90-I94 WeakPolarHBondContact O-CG1 3.39Å; T90-I94 PolarHBondContact O-N 3.48Å; T90-S124 PolarHBondContact OG1-OG 3.24Å; T90-L125 HydrophobicContact CG2-CD2 3.74Å; T90-L125 HydrophobicContact CG2-CG 4.4Å; T90-L128 HydrophobicContact CG2-CD1 4.23Å; T90-L128 WeakPolarHBondContact OG1-CD1 2.98Å
91	G	87.6	Confident	85.2	Confident	39 Å²	39	62 Å²	62	40%	0.402	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-46.5	174.2	0	0	0	0	0	112.7	I87 I88 L93 I94 S95	I87-G91 PolarHBondContact O-N 3.43Å; I88-G91 PolarHBondContact O-N 2.96Å; G91-L93 VanDerWaalsContact C-N 3.29Å; G91-L93 PolarHBondContact O-N 3.31Å; G91-I94 PolarHBondContact O-N 3.34Å; G91-S95 WeakPolarHBondContact O-CB 3.19Å; G91-S95 PolarHBondContact O-N 2.75Å; G91-S95 PolarHBondContact O-OG 3.4Å
92	L	88.2	Confident	85.4	Confident	112 Å²	112	66.2 Å²	66.2	59%	0.586	36%	0.364	S	S	*	.	H	α-helix	trans	-58.9	-43.3	174.1	-73.8	173.1	0	0	0	111.2	I88 L89 S95 G96	I88-L92 HydrophobicContact CG2-CD1 4.21Å; I88-L92 WeakPolarHBondContact O-CG 3.18Å; I88-L92 PolarHBondContact O-N 3.41Å; L89-L92 PolarHBondContact O-N 3.05Å; L92-S95 WeakPolarHBondContact CA-OG 3.43Å; L92-S95 PolarHBondContact O-N 3.22Å; L92-S95 PolarHBondContact O-OG 3.25Å; L92-G96 PolarHBondContact O-N 3.15Å
93	L	86.9	Confident	85.4	Confident	39 Å²	39	68.1 Å²	68.1	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-68.4	-43.5	-177.8	-166.6	49.4	0	0	0	112.5	L89 T90 G91 S95 G96 C97 S120 A121	L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 PolarHBondContact O-N 3.09Å; T90-L93 PolarHBondContact O-N 2.63Å; G91-L93 VanDerWaalsContact C-N 3.29Å; G91-L93 PolarHBondContact O-N 3.31Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.48Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-G96 VanDerWaalsContact O-N 3.16Å; L93-C97 PolarHBondContact O-N 3.44Å; L93-C97 PolarHBondContact O-SG 2.8Å; L93-S120 WeakPolarHBondContact CD2-O 3.4Å; L93-A121 HydrophobicContact CD1-CB 4.39Å; L93-A121 HydrophobicContact CD2-CB 4.13Å; L93-A121 HydrophobicContact CG-CB 3.86Å
94	I	85	Confident	85.5	Confident	98 Å²	98	72.8 Å²	72.8	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-39.7	173.6	-69.2	167.9	0	0	0	110.7	T90 G91 P98 L125	T90-I94 HydrophobicContact CG2-CD1 3.85Å; T90-I94 HydrophobicContact CG2-CG1 4.32Å; T90-I94 WeakPolarHBondContact O-CB 3.38Å; T90-I94 VanDerWaalsContact O-CG1 3.27Å; T90-I94 WeakPolarHBondContact O-CG1 3.39Å; T90-I94 PolarHBondContact O-N 3.48Å; G91-I94 PolarHBondContact O-N 3.34Å; I94-P98 WeakPolarHBondContact O-CD 3.47Å; I94-L125 HydrophobicContact CD1-CD2 4.48Å
95	S	88.1	Confident	85.5	Confident	70 Å²	70	74.8 Å²	74.8	49%	0.49	40%	0.401	S	S	.	.	H	α-helix	trans	-70.9	-30.8	176.2	73.4	0	0	0	0	113.2	G91 L92 L93 P98	G91-S95 WeakPolarHBondContact O-CB 3.19Å; G91-S95 PolarHBondContact O-N 2.75Å; G91-S95 PolarHBondContact O-OG 3.4Å; L92-S95 WeakPolarHBondContact CA-OG 3.43Å; L92-S95 PolarHBondContact O-N 3.22Å; L92-S95 PolarHBondContact O-OG 3.25Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.48Å; S95-P98 WeakPolarHBondContact O-CD 3.33Å; S95-P98 WeakPolarHBondContact O-CG 3.5Å
96	G	85.5	Confident	85.4	Confident	26 Å²	26	74.2 Å²	74.2	27%	0.268	40%	0.395	S	S	.	.	H	α-helix	trans	-78.3	-31.7	178.8	0	0	0	0	0	113.5	L92 L93 V99 V100	L92-G96 PolarHBondContact O-N 3.15Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-G96 VanDerWaalsContact O-N 3.16Å; G96-V99 WeakPolarHBondContact O-CB 3.16Å; G96-V99 PolarHBondContact O-N 3.2Å; G96-V99 VanDerWaalsContact O-N 3.11Å; G96-V100 WeakPolarHBondContact O-CG2 3.44Å; G96-V100 PolarHBondContact O-N 2.98Å
97	C	84.2	Confident	85	Confident	26 Å²	26	78.8 Å²	78.8	18%	0.176	42%	0.422	C	S	.	.	H	α-helix	trans	-51.3	-52.9	177.3	-76.8	0	0	0	0	114.3	L93 V99 V100 I101	L93-C97 PolarHBondContact O-N 3.44Å; L93-C97 PolarHBondContact O-SG 2.8Å; C97-V99 VanDerWaalsContact C-N 3.27Å; C97-V99 PolarHBondContact O-N 3.12Å; C97-V100 PolarHBondContact O-N 2.76Å; C97-I101 VanDerWaalsContact O-CG1 3.31Å; C97-I101 WeakPolarHBondContact O-CG1 3.04Å; C97-I101 PolarHBondContact O-N 3.01Å
98	P	85	Confident	84.4	Confident	74 Å²	74	85.1 Å²	85.1	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-64.4	-31.3	178.4	25.1	-33.8	0	0	0	112.4	I94 S95 I101 Y102	I94-P98 WeakPolarHBondContact O-CD 3.47Å; S95-P98 WeakPolarHBondContact O-CD 3.33Å; S95-P98 WeakPolarHBondContact O-CG 3.5Å; P98-I101 PolarHBondContact O-N 3.29Å; P98-Y102 VanDerWaalsContact O-CB 3.3Å; P98-Y102 WeakPolarHBondContact O-CB 3.26Å; P98-Y102 PolarHBondContact O-N 3.46Å
99	V	86.4	Confident	83.6	Confident	83 Å²	83	81.4 Å²	81.4	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-65.9	-42.2	176.2	-178.9	0	0	0	0	111	G96 C97 Y102 K103	G96-V99 WeakPolarHBondContact O-CB 3.16Å; G96-V99 PolarHBondContact O-N 3.2Å; G96-V99 VanDerWaalsContact O-N 3.11Å; C97-V99 VanDerWaalsContact C-N 3.27Å; C97-V99 PolarHBondContact O-N 3.12Å; V99-Y102 PolarHBondContact O-N 3.08Å; V99-K103 WeakPolarHBondContact O-CG 3.21Å; V99-K103 PolarHBondContact O-N 3.36Å
100	V	83.3	Confident	83.2	Confident	43 Å²	43	80.7 Å²	80.7	26%	0.261	44%	0.436	S	S	.	.	H	α-helix	trans	-67.1	-41.1	177.1	175.5	0	0	0	0	111	G96 C97 K103 Y104 V114 A117	G96-V100 WeakPolarHBondContact O-CG2 3.44Å; G96-V100 PolarHBondContact O-N 2.98Å; C97-V100 PolarHBondContact O-N 2.76Å; V100-K103 PolarHBondContact O-N 3.16Å; V100-Y104 WeakPolarHBondContact O-CB 3.49Å; V100-Y104 PolarHBondContact O-N 3.32Å; V100-V114 HydrophobicContact CG1-CG2 4.17Å; V100-A117 HydrophobicContact CB-CB 4.45Å; V100-A117 HydrophobicContact CG1-CB 4.04Å; V100-A117 HydrophobicContact CG2-CB 4.29Å
101	I	82.2	Confident	83	Confident	86 Å²	86	82.8 Å²	82.8	44%	0.441	45%	0.452	S	S	.	.	H	α-helix	trans	-64.6	-42.9	176.2	-64.9	165	0	0	0	110.8	C97 P98 K103 Y104 L105	C97-I101 VanDerWaalsContact O-CG1 3.31Å; C97-I101 WeakPolarHBondContact O-CG1 3.04Å; C97-I101 PolarHBondContact O-N 3.01Å; P98-I101 PolarHBondContact O-N 3.29Å; I101-K103 PolarHBondContact O-N 2.9Å; I101-Y104 WeakPolarHBondContact O-CB 3.26Å; I101-Y104 PolarHBondContact O-N 3.46Å; I101-L105 HydrophobicContact CG2-CD1 4.49Å; I101-L105 WeakPolarHBondContact O-CG 3.13Å; I101-L105 PolarHBondContact O-N 2.86Å
102	Y	86.3	Confident	82.9	Confident	146 Å²	146	84.7 Å²	84.7	57%	0.573	46%	0.459	S	S	*	.	H	α-helix	trans	-60.9	-44.8	175.7	-178	-93.4	0	0	0	111.8	P98 V99 Y104 L105 H106	P98-Y102 VanDerWaalsContact O-CB 3.3Å; P98-Y102 WeakPolarHBondContact O-CB 3.26Å; P98-Y102 PolarHBondContact O-N 3.46Å; V99-Y102 PolarHBondContact O-N 3.08Å; Y102-Y104 VanDerWaalsContact C-N 3.28Å; Y102-Y104 PolarHBondContact O-N 3.49Å; Y102-L105 PolarHBondContact O-N 2.95Å; Y102-H106 AromaticContact CD1-CD2 3.98Å; Y102-H106 AromaticContact CE1-CD2 3.52Å; Y102-H106 AromaticContact CE1-NE2 3.73Å; Y102-H106 AromaticContact CE2-CD2 3.92Å; Y102-H106 AromaticContact CE2-NE2 3.63Å; Y102-H106 AromaticContact CZ-CD2 3.5Å; Y102-H106 AromaticContact CZ-NE2 3.21Å; Y102-H106 PolarHBondContact O-CD2 3.34Å; Y102-H106 PolarHBondContact O-N 3.35Å; Y102-H106 PolarHBondContact OH-NE2 3.08Å; Y102-H106 VanDerWaalsContact OH-NE2 3.14Å
103	K	83.2	Confident	82.7	Confident	112 Å²	112	84.1 Å²	84.1	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-63.8	-32.7	175.5	-76.8	-167.6	171.3	-167.3	0	113.2	V99 V100 I101 H106 Q108 A109	V99-K103 WeakPolarHBondContact O-CG 3.21Å; V99-K103 PolarHBondContact O-N 3.36Å; V100-K103 PolarHBondContact O-N 3.16Å; I101-K103 PolarHBondContact O-N 2.9Å; K103-H106 PolarHBondContact O-N 2.94Å; K103-Q108 PolarHBondContact O-N 3.48Å; K103-A109 HydrophobicContact CB-CB 4.18Å
104	Y	83	Confident	82.6	Confident	101 Å²	101	83.7 Å²	83.7	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-67	-42.3	174	179.3	-106.4	0	0	0	112.1	V100 I101 Y102 H106 D107 A109 V114	V100-Y104 WeakPolarHBondContact O-CB 3.49Å; V100-Y104 PolarHBondContact O-N 3.32Å; I101-Y104 WeakPolarHBondContact O-CB 3.26Å; I101-Y104 PolarHBondContact O-N 3.46Å; Y102-Y104 VanDerWaalsContact C-N 3.28Å; Y102-Y104 PolarHBondContact O-N 3.49Å; Y104-H106 PolarHBondContact O-N 2.99Å; Y104-D107 PolarHBondContact O-N 2.9Å; Y104-D107 VanDerWaalsContact O-N 3.1Å; Y104-A109 WeakPolarHBondContact CD2-O 3.5Å; Y104-V114 HydrophobicContact CD1-CG2 4.4Å; Y104-V114 HydrophobicContact CD2-CG2 3.52Å; Y104-V114 HydrophobicContact CE2-CG2 4.28Å; Y104-V114 HydrophobicContact CG-CG2 3.59Å
105	L	82.9	Confident	82.7	Confident	133 Å²	133	87.1 Å²	87.1	70%	0.696	46%	0.462	S	S	*	.	H	α-helix	trans	-63.5	-28.3	177.1	-69.4	172.4	0	0	0	113.3	I101 Y102 D107	I101-L105 HydrophobicContact CG2-CD1 4.49Å; I101-L105 WeakPolarHBondContact O-CG 3.13Å; I101-L105 PolarHBondContact O-N 2.86Å; Y102-L105 PolarHBondContact O-N 2.95Å; L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 2.98Å
106	H	83	Confident	82.7	Confident	104 Å²	104	88.1 Å²	88.1	48%	0.481	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	11.9	176.1	-82.3	-81.8	0	0	0	114.2	Y102 K103 Y104 Q108	Y102-H106 AromaticContact CD1-CD2 3.98Å; Y102-H106 AromaticContact CE1-CD2 3.52Å; Y102-H106 AromaticContact CE1-NE2 3.73Å; Y102-H106 AromaticContact CE2-CD2 3.92Å; Y102-H106 AromaticContact CE2-NE2 3.63Å; Y102-H106 AromaticContact CZ-CD2 3.5Å; Y102-H106 AromaticContact CZ-NE2 3.21Å; Y102-H106 PolarHBondContact O-CD2 3.34Å; Y102-H106 PolarHBondContact O-N 3.35Å; Y102-H106 PolarHBondContact OH-NE2 3.08Å; Y102-H106 VanDerWaalsContact OH-NE2 3.14Å; K103-H106 PolarHBondContact O-N 2.94Å; Y104-H106 PolarHBondContact O-N 2.99Å; H106-Q108 HydrophobicContact CB-CG 4.41Å; H106-Q108 WeakPolarHBondContact O-CG 3.2Å; H106-Q108 PolarHBondContact O-N 3.17Å; H106-Q108 VanDerWaalsContact O-N 3.08Å
107	D	76.8	Confident	82.8	Confident	152 Å²	152	87.8 Å²	87.8	81%	0.813	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	23.2	-179.5	-142.4	-14	0	0	0	113.9	Y104 L105	Y104-D107 PolarHBondContact O-N 2.9Å; Y104-D107 VanDerWaalsContact O-N 3.1Å; L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 2.98Å
108	Q	72	Confident	83	Confident	154 Å²	154	91.7 Å²	91.7	72%	0.72	48%	0.479	S	S	*	.			trans	-96.7	-3.1	179.4	-69.2	-169.6	-7.6	0	0	112.9	K103 H106	K103-Q108 PolarHBondContact O-N 3.48Å; H106-Q108 HydrophobicContact CB-CG 4.41Å; H106-Q108 WeakPolarHBondContact O-CG 3.2Å; H106-Q108 PolarHBondContact O-N 3.17Å; H106-Q108 VanDerWaalsContact O-N 3.08Å
109	A	70	Confident	83.2	Confident	16 Å²	16	90.1 Å²	90.1	13%	0.132	48%	0.476	C	S	.	.	S	Bend	trans	-134.4	131.8	-175.4	0	0	0	0	0	111.7	K103 Y104 L113	K103-A109 HydrophobicContact CB-CB 4.18Å; Y104-A109 WeakPolarHBondContact CD2-O 3.5Å; A109-L113 HydrophobicContact CB-CD1 4.44Å
110	S	80	Confident	83.4	Confident	71 Å²	71	88.8 Å²	88.8	50%	0.497	47%	0.471	S	S	.	.			trans	-62.4	140.7	173.7	179.7	0	0	0	0	111.3	S112 L113	S110-S112 PolarHBondContact O-N 3.47Å; S110-L113 WeakPolarHBondContact O-CB 3.43Å; S110-L113 PolarHBondContact O-N 3.36Å
111	S	82.8	Confident	83.6	Confident	54 Å²	54	87.3 Å²	87.3	38%	0.378	46%	0.463	S	S	.	.	H	α-helix	trans	-50.6	-32.9	175.2	-52.4	0	0	0	0	112.8	L113 V114 Y115	S111-L113 VanDerWaalsContact C-N 3.28Å; S111-L113 PolarHBondContact O-N 2.89Å; S111-V114 PolarHBondContact O-N 3.46Å; S111-V114 VanDerWaalsContact O-N 3.15Å; S111-Y115 WeakPolarHBondContact O-CD2 3.21Å; S111-Y115 PolarHBondContact O-N 3Å
112	S	85.6	Confident	84	Confident	78 Å²	78	85.9 Å²	85.9	55%	0.545	46%	0.464	S	S	.	.	H	α-helix	trans	-59.7	-34.7	176.9	-51.2	0	0	0	0	113.2	S110 T116	S110-S112 PolarHBondContact O-N 3.47Å; S112-T116 VanDerWaalsContact O-CG2 3.3Å; S112-T116 WeakPolarHBondContact O-CG2 3.05Å; S112-T116 PolarHBondContact O-N 2.81Å; S112-T116 VanDerWaalsContact O-N 3.14Å; S112-T116 PolarHBondContact O-OG1 2.86Å
113	L	84.4	Confident	84.2	Confident	100 Å²	100	86.3 Å²	86.3	52%	0.524	47%	0.469	S	S	.	.	H	α-helix	trans	-70.2	-35	177.9	-67.2	173.1	0	0	0	111.6	A109 S110 S111 T116 A117	A109-L113 HydrophobicContact CB-CD1 4.44Å; S110-L113 WeakPolarHBondContact O-CB 3.43Å; S110-L113 PolarHBondContact O-N 3.36Å; S111-L113 VanDerWaalsContact C-N 3.28Å; S111-L113 PolarHBondContact O-N 2.89Å; L113-T116 WeakPolarHBondContact CA-OG1 3.4Å; L113-T116 PolarHBondContact O-OG1 3.45Å; L113-A117 VanDerWaalsContact O-CB 3.26Å; L113-A117 WeakPolarHBondContact O-CB 3.49Å; L113-A117 PolarHBondContact O-N 3.2Å
114	V	85.4	Confident	84.4	Confident	30 Å²	30	81.3 Å²	81.3	18%	0.182	45%	0.448	C	S	.	.	H	α-helix	trans	-68.1	-47.5	178.3	-176.5	0	0	0	0	110.4	V100 Y104 S111 T116 A117 L118	V100-V114 HydrophobicContact CG1-CG2 4.17Å; Y104-V114 HydrophobicContact CD1-CG2 4.4Å; Y104-V114 HydrophobicContact CD2-CG2 3.52Å; Y104-V114 HydrophobicContact CE2-CG2 4.28Å; Y104-V114 HydrophobicContact CG-CG2 3.59Å; S111-V114 PolarHBondContact O-N 3.46Å; S111-V114 VanDerWaalsContact O-N 3.15Å; V114-T116 VanDerWaalsContact C-N 3.35Å; V114-T116 PolarHBondContact O-N 3.32Å; V114-A117 PolarHBondContact O-N 3.37Å; V114-L118 WeakPolarHBondContact O-CB 3.42Å; V114-L118 PolarHBondContact O-N 2.91Å
115	Y	87.4	Confident	84.6	Confident	171 Å²	171	80.2 Å²	80.2	67%	0.671	45%	0.449	S	S	*	.	H	α-helix	trans	-62.8	-40.4	178.8	-68.9	-62.9	0	0	0	112.5	S111 L118 G119	S111-Y115 WeakPolarHBondContact O-CD2 3.21Å; S111-Y115 PolarHBondContact O-N 3Å; Y115-L118 PolarHBondContact O-N 2.91Å; Y115-G119 PolarHBondContact O-N 2.99Å
116	T	87.6	Confident	85	Confident	91 Å²	91	77 Å²	77	56%	0.558	44%	0.437	S	S	*	.	H	α-helix	trans	-68.7	-39.1	177.1	51	0	0	0	0	112.2	S112 L113 V114 S120	S112-T116 VanDerWaalsContact O-CG2 3.3Å; S112-T116 WeakPolarHBondContact O-CG2 3.05Å; S112-T116 PolarHBondContact O-N 2.81Å; S112-T116 VanDerWaalsContact O-N 3.14Å; S112-T116 PolarHBondContact O-OG1 2.86Å; L113-T116 WeakPolarHBondContact CA-OG1 3.4Å; L113-T116 PolarHBondContact O-OG1 3.45Å; V114-T116 VanDerWaalsContact C-N 3.35Å; V114-T116 PolarHBondContact O-N 3.32Å; T116-S120 WeakPolarHBondContact O-CB 2.88Å; T116-S120 PolarHBondContact O-N 2.78Å; T116-S120 PolarHBondContact O-OG 2.98Å
117	A	87.3	Confident	85.2	Confident	19 Å²	19	73.1 Å²	73.1	16%	0.157	42%	0.421	C	S	.	.	H	α-helix	trans	-64.2	-44.3	173.7	0	0	0	0	0	112	V100 L113 V114 S120 A121	V100-A117 HydrophobicContact CB-CB 4.45Å; V100-A117 HydrophobicContact CG1-CB 4.04Å; V100-A117 HydrophobicContact CG2-CB 4.29Å; L113-A117 VanDerWaalsContact O-CB 3.26Å; L113-A117 WeakPolarHBondContact O-CB 3.49Å; L113-A117 PolarHBondContact O-N 3.2Å; V114-A117 PolarHBondContact O-N 3.37Å; A117-S120 PolarHBondContact O-OG 3.42Å; A117-A121 WeakPolarHBondContact O-CB 3.41Å; A117-A121 PolarHBondContact O-N 3.25Å
118	L	87.9	Confident	85.7	Confident	108 Å²	108	66.8 Å²	66.8	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-68.4	-41.4	178.8	-167.4	67.4	0	0	0	111.9	V114 Y115 A121 A122	V114-L118 WeakPolarHBondContact O-CB 3.42Å; V114-L118 PolarHBondContact O-N 2.91Å; Y115-L118 PolarHBondContact O-N 2.91Å; L118-A121 WeakPolarHBondContact O-CB 3.29Å; L118-A121 PolarHBondContact O-N 3.16Å; L118-A122 PolarHBondContact O-N 2.84Å
119	G	90.2	Very high	86.3	Confident	41 Å²	41	62.8 Å²	62.8	42%	0.423	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-44.9	176.2	0	0	0	0	0	112.3	Y115 A121 A122 F123	Y115-G119 PolarHBondContact O-N 2.99Å; G119-A121 VanDerWaalsContact C-N 3.34Å; G119-A121 PolarHBondContact O-N 3.22Å; G119-A122 PolarHBondContact O-N 2.81Å; G119-F123 WeakPolarHBondContact O-CB 3.37Å; G119-F123 PolarHBondContact O-N 3.35Å
120	S	89.3	Confident	87.1	Confident	55 Å²	55	65.7 Å²	65.7	39%	0.385	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-37.4	174.9	61.6	0	0	0	0	112.3	L93 T116 A117 F123 S124	L93-S120 WeakPolarHBondContact CD2-O 3.4Å; T116-S120 WeakPolarHBondContact O-CB 2.88Å; T116-S120 PolarHBondContact O-N 2.78Å; T116-S120 PolarHBondContact O-OG 2.98Å; A117-S120 PolarHBondContact O-OG 3.42Å; S120-F123 PolarHBondContact O-N 3Å; S120-S124 VanDerWaalsContact O-CB 3.32Å; S120-S124 WeakPolarHBondContact O-CB 3.32Å; S120-S124 PolarHBondContact O-N 3.05Å
121	A	88.3	Confident	87.2	Confident	11 Å²	11	63.2 Å²	63.2	9%	0.091	36%	0.363	C	S	.	.	H	α-helix	trans	-60.5	-49.8	173.9	0	0	0	0	0	112.2	L93 A117 L118 G119 F123 S124 L125	L93-A121 HydrophobicContact CD1-CB 4.39Å; L93-A121 HydrophobicContact CD2-CB 4.13Å; L93-A121 HydrophobicContact CG-CB 3.86Å; A117-A121 WeakPolarHBondContact O-CB 3.41Å; A117-A121 PolarHBondContact O-N 3.25Å; L118-A121 WeakPolarHBondContact O-CB 3.29Å; L118-A121 PolarHBondContact O-N 3.16Å; G119-A121 VanDerWaalsContact C-N 3.34Å; G119-A121 PolarHBondContact O-N 3.22Å; A121-F123 PolarHBondContact O-N 3.42Å; A121-S124 PolarHBondContact O-N 3.08Å; A121-L125 WeakPolarHBondContact O-CG 3.37Å; A121-L125 PolarHBondContact O-N 3.11Å
122	A	89.6	Confident	87.1	Confident	57 Å²	57	61.3 Å²	61.3	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-44	176.8	0	0	0	0	0	112	L118 G119 S124 L125 C126	L118-A122 PolarHBondContact O-N 2.84Å; G119-A122 PolarHBondContact O-N 2.81Å; A122-S124 PolarHBondContact O-N 3.28Å; A122-L125 PolarHBondContact O-N 3.26Å; A122-C126 WeakPolarHBondContact O-CB 3.27Å; A122-C126 PolarHBondContact O-N 3.32Å
123	F	90.5	Very high	86.8	Confident	154 Å²	154	63.9 Å²	63.9	68%	0.675	35%	0.348	S	S	*	.	H	α-helix	trans	-63.1	-42.6	177.7	-174.6	-102.2	0	0	0	112.3	G119 S120 A121 C126 S127	G119-F123 WeakPolarHBondContact O-CB 3.37Å; G119-F123 PolarHBondContact O-N 3.35Å; S120-F123 PolarHBondContact O-N 3Å; A121-F123 PolarHBondContact O-N 3.42Å; F123-C126 PolarHBondContact O-N 2.91Å; F123-S127 WeakPolarHBondContact O-CB 3.38Å; F123-S127 PolarHBondContact O-N 3.12Å; F123-S127 PolarHBondContact O-OG 2.88Å
124	S	88.6	Confident	86.5	Confident	8 Å²	8	62.8 Å²	62.8	6%	0.056	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-47.7	176.2	-171.6	0	0	0	0	111.2	T90 S120 A121 A122 C126 S127 L128	T90-S124 PolarHBondContact OG1-OG 3.24Å; S120-S124 VanDerWaalsContact O-CB 3.32Å; S120-S124 WeakPolarHBondContact O-CB 3.32Å; S120-S124 PolarHBondContact O-N 3.05Å; A121-S124 PolarHBondContact O-N 3.08Å; A122-S124 PolarHBondContact O-N 3.28Å; S124-C126 PolarHBondContact O-N 3.49Å; S124-S127 PolarHBondContact O-N 2.92Å; S124-S127 PolarHBondContact O-OG 2.99Å; S124-L128 WeakPolarHBondContact O-CB 3.29Å; S124-L128 PolarHBondContact O-N 2.87Å
125	L	87.7	Confident	86	Confident	78 Å²	78	61.5 Å²	61.5	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-59.5	-46.7	176.4	-72	169.1	0	0	0	112.2	T90 I94 A121 A122 S127 L128 I129	T90-L125 HydrophobicContact CG2-CD2 3.74Å; T90-L125 HydrophobicContact CG2-CG 4.4Å; I94-L125 HydrophobicContact CD1-CD2 4.48Å; A121-L125 WeakPolarHBondContact O-CG 3.37Å; A121-L125 PolarHBondContact O-N 3.11Å; A122-L125 PolarHBondContact O-N 3.26Å; L125-S127 PolarHBondContact O-N 3.49Å; L125-L128 PolarHBondContact O-N 3Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 2.84Å
126	C	90	Very high	85.2	Confident	66 Å²	66	57.1 Å²	57.1	45%	0.446	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-48.6	176.9	-175.9	0	0	0	0	111.4	A122 F123 S124 L128 I129 I130	A122-C126 WeakPolarHBondContact O-CB 3.27Å; A122-C126 PolarHBondContact O-N 3.32Å; F123-C126 PolarHBondContact O-N 2.91Å; S124-C126 PolarHBondContact O-N 3.49Å; C126-L128 VanDerWaalsContact C-N 3.25Å; C126-L128 PolarHBondContact O-N 3.37Å; C126-I129 PolarHBondContact O-N 2.82Å; C126-I130 WeakPolarHBondContact O-CG1 3.46Å; C126-I130 PolarHBondContact O-N 3.44Å; C126-I130 VanDerWaalsContact O-N 3.11Å
127	S	88.4	Confident	84.5	Confident	21 Å²	21	54.4 Å²	54.4	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-33.1	178.2	78.5	0	0	0	0	113	K86 F123 S124 L125 F131	K86-S127 PolarHBondContact NZ-OG 3.42Å; F123-S127 WeakPolarHBondContact O-CB 3.38Å; F123-S127 PolarHBondContact O-N 3.12Å; F123-S127 PolarHBondContact O-OG 2.88Å; S124-S127 PolarHBondContact O-N 2.92Å; S124-S127 PolarHBondContact O-OG 2.99Å; L125-S127 PolarHBondContact O-N 3.49Å; S127-F131 VanDerWaalsContact O-CB 3.24Å; S127-F131 WeakPolarHBondContact O-CB 3.37Å; S127-F131 PolarHBondContact O-N 3.24Å
128	L	86.5	Confident	83.7	Confident	20 Å²	20	54.3 Å²	54.3	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-72.2	-35.7	177.8	177.9	141.4	0	0	0	111.8	I87 T90 S124 L125 C126 F131 S132 F158	I87-L128 HydrophobicContact CG1-CD1 4.49Å; T90-L128 HydrophobicContact CG2-CD1 4.23Å; T90-L128 WeakPolarHBondContact OG1-CD1 2.98Å; S124-L128 WeakPolarHBondContact O-CB 3.29Å; S124-L128 PolarHBondContact O-N 2.87Å; L125-L128 PolarHBondContact O-N 3Å; C126-L128 VanDerWaalsContact C-N 3.25Å; C126-L128 PolarHBondContact O-N 3.37Å; L128-F131 PolarHBondContact O-N 3.28Å; L128-S132 VanDerWaalsContact O-CB 3.28Å; L128-S132 WeakPolarHBondContact O-CB 3.25Å; L128-S132 PolarHBondContact O-N 3.13Å; L128-F158 HydrophobicContact CD1-CZ 4.27Å; L128-F158 HydrophobicContact CD2-CE2 4.01Å; L128-F158 HydrophobicContact CD2-CZ 3.73Å; L128-F158 HydrophobicContact CG-CE2 4.15Å; L128-F158 HydrophobicContact CG-CZ 4.04Å
129	I	84.9	Confident	82.9	Confident	69 Å²	69	49.3 Å²	49.3	35%	0.354	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-48	172.5	-67.1	165.8	0	0	0	110.4	L9 L125 C126 F131 S132 W133	L9-I129 HydrophobicContact CD2-CG2 4.17Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 2.84Å; C126-I129 PolarHBondContact O-N 2.82Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 2.89Å; I129-S132 VanDerWaalsContact O-CB 3.3Å; I129-S132 WeakPolarHBondContact O-CB 3.07Å; I129-S132 PolarHBondContact O-N 3.45Å; I129-W133 PolarHBondContact O-N 3Å
130	I	86.6	Confident	81.8	Confident	77 Å²	77	47.4 Å²	47.4	40%	0.395	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-46.8	177.6	-64.3	165.9	0	0	0	110	C126 S132 W133 L134	C126-I130 WeakPolarHBondContact O-CG1 3.46Å; C126-I130 PolarHBondContact O-N 3.44Å; C126-I130 VanDerWaalsContact O-N 3.11Å; I130-S132 VanDerWaalsContact C-N 3.33Å; I130-S132 PolarHBondContact O-N 3.41Å; I130-W133 WeakPolarHBondContact O-CB 3.43Å; I130-W133 PolarHBondContact O-N 3.42Å; I130-L134 HydrophobicContact CG2-CD1 4.22Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.5Å
131	F	82.4	Confident	80.9	Confident	20 Å²	20	46 Å²	46	9%	0.088	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-35.7	179.6	-172.3	-91.2	0	0	0	112.8	F79 I82 S127 L128 I129 W133 L134 S135	F79-F131 AromaticContact CD1-CE2 3.97Å; F79-F131 HydrophobicContact CD1-CE2 3.97Å; F79-F131 HydrophobicContact CD1-CZ 4.09Å; F79-F131 WeakPolarHBondContact O-CZ 3.43Å; I82-F131 HydrophobicContact CB-CE2 3.8Å; I82-F131 HydrophobicContact CB-CZ 3.79Å; I82-F131 HydrophobicContact CG2-CD2 3.8Å; I82-F131 HydrophobicContact CG2-CE1 4.43Å; I82-F131 HydrophobicContact CG2-CE2 3.29Å; I82-F131 HydrophobicContact CG2-CZ 3.67Å; S127-F131 VanDerWaalsContact O-CB 3.24Å; S127-F131 WeakPolarHBondContact O-CB 3.37Å; S127-F131 PolarHBondContact O-N 3.24Å; L128-F131 PolarHBondContact O-N 3.28Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 2.89Å; F131-W133 VanDerWaalsContact C-N 3.34Å; F131-L134 PolarHBondContact O-N 2.85Å; F131-S135 WeakPolarHBondContact CE1-OG 3.34Å; F131-S135 WeakPolarHBondContact CZ-OG 3.48Å; F131-S135 WeakPolarHBondContact O-CB 3.43Å; F131-S135 PolarHBondContact O-N 3.29Å; F131-S135 PolarHBondContact O-OG 2.89Å
132	S	80.8	Confident	80.1	Confident	14 Å²	14	45.6 Å²	45.6	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-48.8	172	-176.6	0	0	0	0	111	L128 I129 I130 L134 S135 M136 F158	L128-S132 VanDerWaalsContact O-CB 3.28Å; L128-S132 WeakPolarHBondContact O-CB 3.25Å; L128-S132 PolarHBondContact O-N 3.13Å; I129-S132 VanDerWaalsContact O-CB 3.3Å; I129-S132 WeakPolarHBondContact O-CB 3.07Å; I129-S132 PolarHBondContact O-N 3.45Å; I130-S132 VanDerWaalsContact C-N 3.33Å; I130-S132 PolarHBondContact O-N 3.41Å; S132-L134 PolarHBondContact O-N 3.21Å; S132-S135 PolarHBondContact O-N 2.85Å; S132-M136 WeakPolarHBondContact O-CE 3.24Å; S132-M136 WeakPolarHBondContact O-CG 3.02Å; S132-M136 PolarHBondContact O-N 2.79Å; S132-M136 VanDerWaalsContact O-N 3.12Å; S132-F158 WeakPolarHBondContact OG-CD2 3Å
133	W	79.2	Confident	79.2	Confident	132 Å²	132	43.8 Å²	43.8	50%	0.5	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-43.6	179.4	-165.9	84.8	0	0	0	112.1	I129 I130 F131 K137	I129-W133 PolarHBondContact O-N 3Å; I130-W133 WeakPolarHBondContact O-CB 3.43Å; I130-W133 PolarHBondContact O-N 3.42Å; F131-W133 VanDerWaalsContact C-N 3.34Å; W133-K137 HydrophobicContact CH2-CD 4.09Å; W133-K137 HydrophobicContact CZ2-CD 4.29Å; W133-K137 HydrophobicContact CZ3-CD 4.24Å; W133-K137 PolarHBondContact O-N 2.76Å
134	L	78.8	Confident	78.3	Confident	76 Å²	76	37.2 Å²	37.2	40%	0.398	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-44.6	175.5	-69.5	173.3	0	0	0	112.3	I130 F131 S132 M136 K137 I138	I130-L134 HydrophobicContact CG2-CD1 4.22Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.5Å; F131-L134 PolarHBondContact O-N 2.85Å; S132-L134 PolarHBondContact O-N 3.21Å; L134-M136 VanDerWaalsContact C-N 3.3Å; L134-M136 PolarHBondContact O-N 3.1Å; L134-K137 PolarHBondContact O-N 2.83Å; L134-K137 VanDerWaalsContact O-N 3.13Å; L134-I138 WeakPolarHBondContact O-CD1 3.42Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.36Å
135	S	73.4	Confident	77.6	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-37	-177.5	-63.3	0	0	0	0	112.6	F131 S132 K137	F131-S135 WeakPolarHBondContact CE1-OG 3.34Å; F131-S135 WeakPolarHBondContact CZ-OG 3.48Å; F131-S135 WeakPolarHBondContact O-CB 3.43Å; F131-S135 PolarHBondContact O-N 3.29Å; F131-S135 PolarHBondContact O-OG 2.89Å; S132-S135 PolarHBondContact O-N 2.85Å; S135-K137 VanDerWaalsContact C-N 3.32Å
136	M	71.3	Confident	76.7	Confident	80 Å²	80	41.2 Å²	41.2	39%	0.394	20%	0.202	S	C	.	.	H	α-helix	trans	-69.9	-28.5	177.4	-70.2	-174.7	-68.4	0	0	113	M12 S132 L134	M12-M136 HydrophobicContact CE-CE 3.48Å; M12-M136 VanDerWaalsContact CE-CE 3.48Å; S132-M136 WeakPolarHBondContact O-CE 3.24Å; S132-M136 WeakPolarHBondContact O-CG 3.02Å; S132-M136 PolarHBondContact O-N 2.79Å; S132-M136 VanDerWaalsContact O-N 3.12Å; L134-M136 VanDerWaalsContact C-N 3.3Å; L134-M136 PolarHBondContact O-N 3.1Å
137	K	72.9	Confident	75.4	Confident	33 Å²	33	45.8 Å²	45.8	14%	0.143	22%	0.216	C	C	.	.	H	α-helix	trans	-81.1	-22.3	179.9	-73.5	-148.9	172.3	-160.6	0	114.3	W133 L134 S135 L210	W133-K137 HydrophobicContact CH2-CD 4.09Å; W133-K137 HydrophobicContact CZ2-CD 4.29Å; W133-K137 HydrophobicContact CZ3-CD 4.24Å; W133-K137 PolarHBondContact O-N 2.76Å; L134-K137 PolarHBondContact O-N 2.83Å; L134-K137 VanDerWaalsContact O-N 3.13Å; S135-K137 VanDerWaalsContact C-N 3.32Å; K137-L210 HydrophobicContact CB-CD1 3.94Å; K137-L210 HydrophobicContact CD-CD1 3.65Å; K137-L210 HydrophobicContact CD-CG 4.45Å; K137-L210 HydrophobicContact CG-CD1 4.45Å; K137-L210 PolarHBondContact O-N 2.74Å
138	I	71.2	Confident	74.1	Confident	18 Å²	18	47.3 Å²	47.3	9%	0.092	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-81.9	125.3	-173.1	-66.2	159.5	0	0	0	110.9	L73 F79 L134	L73-I138 HydrophobicContact CD2-CG2 3.8Å; F79-I138 HydrophobicContact CD1-CD1 3.62Å; F79-I138 HydrophobicContact CD2-CD1 3.9Å; F79-I138 HydrophobicContact CE1-CD1 3.33Å; F79-I138 HydrophobicContact CE2-CD1 3.63Å; F79-I138 HydrophobicContact CG-CD1 3.9Å; F79-I138 HydrophobicContact CZ-CD1 3.35Å; L134-I138 WeakPolarHBondContact O-CD1 3.42Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.36Å
139	V	70.7	Confident	73.2	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.4	171.8	-173.8	0	0	0	0	110.5	V142 I153 F209 L210 L211	V139-V142 HydrophobicContact CG1-CG2 3.76Å; V139-I153 HydrophobicContact CB-CG2 4.4Å; V139-I153 HydrophobicContact CG1-CG2 3.29Å; V139-I153 HydrophobicContact CG2-CG2 4.36Å; V139-F209 HydrophobicContact CG2-CB 3.55Å; V139-F209 HydrophobicContact CG2-CD1 4.43Å; V139-F209 HydrophobicContact CG2-CG 4.28Å; V139-L210 PolarHBondContact N-O 3.42Å; V139-L211 HydrophobicContact CB-CD2 4.05Å; V139-L211 HydrophobicContact CG1-CD2 4.1Å; V139-L211 HydrophobicContact CG2-CD2 4.3Å
140	G	67.3	Low	72.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-52.5	-179.3	0	0	0	0	0	114.3	L73 G154	L73-G140 WeakPolarHBondContact CB-O 3.37Å; L73-G140 PolarHBondContact N-O 3.3Å; G140-G154 WeakPolarHBondContact CA-O 3.38Å; G140-G154 PolarHBondContact N-O 3.3Å
141	V	69.4	Low	71.4	Confident	26 Å²	26	43.2 Å²	43.2	16%	0.158	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.5	-172	-178	0	0	0	0	108.2	Y71 R72 G154	Y71-V141 WeakPolarHBondContact O-CA 3.29Å; R72-V141 HydrophobicContact CG-CG2 4.36Å; V141-G154 PolarHBondContact N-O 2.88Å; V141-G154 PolarHBondContact O-N 3.04Å
142	V	72.2	Confident	70.9	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.1	171.2	-171.9	0	0	0	0	107.9	I70 Y71 V139 V151 I153 L211	I70-V142 PolarHBondContact N-O 3.47Å; Y71-V142 HydrophobicContact CD1-CG2 4.19Å; Y71-V142 PolarHBondContact N-O 3.46Å; Y71-V142 PolarHBondContact O-N 2.83Å; V139-V142 HydrophobicContact CG1-CG2 3.76Å; V142-V151 HydrophobicContact CG1-CG1 3.41Å; V142-V151 VanDerWaalsContact CG1-CG1 3.41Å; V142-I153 HydrophobicContact CG1-CG1 4.5Å; V142-I153 HydrophobicContact CG2-CG2 4.29Å; V142-L211 HydrophobicContact CG2-CD2 4.13Å
143	S	71.4	Confident	70.5	Confident	19 Å²	19	45.8 Å²	45.8	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.3	177.7	55.7	0	0	0	0	110.7	V68 R152	V68-S143 CarbonylContact O-C 3.57Å; V68-S143 WeakPolarHBondContact O-CA 3.35Å; S143-R152 PolarHBondContact N-O 2.77Å; S143-R152 PolarHBondContact O-N 3Å; S143-R152 WeakPolarHBondContact OG-CB 3.13Å; S143-R152 PolarHBondContact OG-O 2.95Å
144	I	71.6	Confident	70.1	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.8	-174.7	-69.1	-165.8	0	0	0	111.5	W67 V68 I70 L150 V151 I227	W67-I144 WeakPolarHBondContact CA-O 3.27Å; V68-I144 PolarHBondContact N-O 2.99Å; V68-I144 PolarHBondContact O-N 2.89Å; I70-I144 HydrophobicContact CD1-CB 3.81Å; I70-I144 HydrophobicContact CD1-CD1 3.37Å; I70-I144 HydrophobicContact CD1-CG1 3.63Å; I70-I144 HydrophobicContact CG1-CB 4.46Å; I70-I144 HydrophobicContact CG1-CG1 4.43Å; I144-L150 WeakPolarHBondContact CA-O 3.49Å; I144-V151 HydrophobicContact CD1-CB 4.31Å; I144-V151 HydrophobicContact CD1-CG1 4.13Å; I144-V151 HydrophobicContact CD1-CG2 3.52Å; I144-V151 HydrophobicContact CG1-CB 4.17Å; I144-V151 HydrophobicContact CG1-CG1 3.96Å; I144-V151 HydrophobicContact CG1-CG2 3.83Å; I144-I227 HydrophobicContact CD1-CD1 2.95Å; I144-I227 HydrophobicContact CD1-CG1 4.04Å; I144-I227 HydrophobicContact CG1-CD1 4.39Å
145	H	73.7	Confident	69.7	Low	6 Å²	6	36.8 Å²	36.8	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.4	171.7	-162.4	-92.5	0	0	0	109.8	E65 W67 E147 S148 G149 L150	E65-H145 WeakPolarHBondContact CA-NE2 3.46Å; E65-H145 WeakPolarHBondContact CB-NE2 3.36Å; E65-H145 WeakPolarHBondContact CG-NE2 3.47Å; E65-H145 IonicContact OE2-NE2 3.95Å; W67-H145 HydrophobicContact CD2-CB 4.29Å; W67-H145 AromaticContact CE2-CD2 3.61Å; W67-H145 HydrophobicContact CE3-CB 4.05Å; W67-H145 HydrophobicContact CH2-CB 3.9Å; W67-H145 HydrophobicContact CZ2-CB 4.14Å; W67-H145 AromaticContact CZ2-CD2 3.91Å; W67-H145 HydrophobicContact CZ3-CB 3.84Å; W67-H145 AromaticContact NE1-CD2 3.64Å; H145-E147 VanDerWaalsContact C-N 3.29Å; H145-E147 IonicContact CE1-OE2 3.88Å; H145-E147 PolarHBondContact ND1-N 3.46Å; H145-E147 PolarHBondContact O-N 3.18Å; H145-S148 VanDerWaalsContact CB-OG 3.29Å; H145-S148 WeakPolarHBondContact CB-OG 3.31Å; H145-S148 VanDerWaalsContact CG-OG 3.22Å; H145-S148 PolarHBondContact ND1-N 2.94Å; H145-S148 PolarHBondContact ND1-OG 3.43Å; H145-G149 PolarHBondContact O-N 3Å; H145-L150 HydrophobicContact CB-CB 4.14Å; H145-L150 PolarHBondContact N-O 2.96Å
146	R	67.5	Low	69.3	Low	165 Å²	165	37 Å²	37	62%	0.623	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-35	-177.3	-71	-175.9	-178	170.1	-0.3	113.4	S66 V68	S66-R146 PolarHBondContact O-N 3.11Å; S66-R146 WeakPolarHBondContact OG-CD 3.48Å; V68-R146 HydrophobicContact CG2-CG 3.96Å
147	E	64.3	Low	69.2	Low	161 Å²	161	34.4 Å²	34.4	75%	0.752	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-27.2	-168.3	-56.7	176.3	173	0	0	113.7	H145	H145-E147 VanDerWaalsContact C-N 3.29Å; H145-E147 IonicContact CE1-OE2 3.88Å; H145-E147 PolarHBondContact ND1-N 3.46Å; H145-E147 PolarHBondContact O-N 3.18Å
148	S	60.7	Low	68.8	Low	54 Å²	54	34.3 Å²	34.3	38%	0.378	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-3.9	-171.4	58.7	0	0	0	0	113	H145 L150	H145-S148 VanDerWaalsContact CB-OG 3.29Å; H145-S148 WeakPolarHBondContact CB-OG 3.31Å; H145-S148 VanDerWaalsContact CG-OG 3.22Å; H145-S148 PolarHBondContact ND1-N 2.94Å; H145-S148 PolarHBondContact ND1-OG 3.43Å; S148-L150 PolarHBondContact O-N 3.18Å; S148-L150 WeakPolarHBondContact OG-CD1 3.3Å; S148-L150 VanDerWaalsContact OG-CG 3.3Å; S148-L150 WeakPolarHBondContact OG-CG 3.28Å
149	G	66.1	Low	68.5	Low	27 Å²	27	37.1 Å²	37.1	28%	0.278	18%	0.182	S	C	.	.			trans	63.8	5.7	-173.7	0	0	0	0	0	114	H145 V151 S169	H145-G149 PolarHBondContact O-N 3Å; G149-V151 PolarHBondContact O-N 3.22Å; G149-S169 WeakPolarHBondContact O-CB 3.48Å; G149-S169 PolarHBondContact O-OG 3.28Å
150	L	65.4	Low	68.1	Low	52 Å²	52	37 Å²	37	27%	0.272	18%	0.182	S	C	.	.			trans	-66	132.6	-178.6	-67.3	173.9	0	0	0	110.7	W67 I144 H145 S148 I166 N168	W67-L150 HydrophobicContact CH2-CB 3.92Å; W67-L150 HydrophobicContact CZ3-CB 4.39Å; W67-L150 WeakPolarHBondContact CZ3-O 3.48Å; I144-L150 WeakPolarHBondContact CA-O 3.49Å; H145-L150 HydrophobicContact CB-CB 4.14Å; H145-L150 PolarHBondContact N-O 2.96Å; S148-L150 PolarHBondContact O-N 3.18Å; S148-L150 WeakPolarHBondContact OG-CD1 3.3Å; S148-L150 VanDerWaalsContact OG-CG 3.3Å; S148-L150 WeakPolarHBondContact OG-CG 3.28Å; L150-I166 HydrophobicContact CB-CG2 4.32Å; L150-I166 HydrophobicContact CD1-CG2 4.44Å; L150-N168 HydrophobicContact CD2-CB 4.01Å
151	V	69.5	Low	68	Low	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.8	178.3	-172.8	0	0	0	0	109.3	V142 I144 G149 I153 L167 I172	V142-V151 HydrophobicContact CG1-CG1 3.41Å; V142-V151 VanDerWaalsContact CG1-CG1 3.41Å; I144-V151 HydrophobicContact CD1-CB 4.31Å; I144-V151 HydrophobicContact CD1-CG1 4.13Å; I144-V151 HydrophobicContact CD1-CG2 3.52Å; I144-V151 HydrophobicContact CG1-CB 4.17Å; I144-V151 HydrophobicContact CG1-CG1 3.96Å; I144-V151 HydrophobicContact CG1-CG2 3.83Å; G149-V151 PolarHBondContact O-N 3.22Å; V151-I153 HydrophobicContact CG1-CG1 3.99Å; V151-L167 CarbonylContact C-O 3.57Å; V151-L167 PolarHBondContact N-O 3.49Å; V151-L167 PolarHBondContact O-N 2.95Å; V151-L167 VanDerWaalsContact O-O 3.06Å; V151-I172 HydrophobicContact CB-CD1 3.68Å; V151-I172 HydrophobicContact CG1-CD1 4.07Å; V151-I172 HydrophobicContact CG2-CD1 3.37Å
152	R	71.7	Confident	67.9	Low	82 Å²	82	49.7 Å²	49.7	31%	0.309	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.8	173.5	-178	178.8	-156	-173.6	2	109.3	W67 S143 N164 T165 I166	W67-R152 HydrophobicContact CE3-CB 3.95Å; W67-R152 HydrophobicContact CH2-CB 4.09Å; W67-R152 HydrophobicContact CZ3-CB 3.46Å; W67-R152 VanDerWaalsContact CZ3-CB 3.46Å; S143-R152 PolarHBondContact N-O 2.77Å; S143-R152 PolarHBondContact O-N 3Å; S143-R152 WeakPolarHBondContact OG-CB 3.13Å; S143-R152 PolarHBondContact OG-O 2.95Å; R152-N164 HydrophobicContact CG-CB 3.93Å; R152-N164 VanDerWaalsContact CZ-ND2 3.28Å; R152-N164 PolarHBondContact NE-ND2 3.01Å; R152-N164 PolarHBondContact NH2-ND2 2.84Å; R152-T165 WeakPolarHBondContact CA-O 3.44Å; R152-I166 HydrophobicContact CB-CG1 4.31Å; R152-I166 HydrophobicContact CG-CG1 4.01Å
153	I	72	Confident	67.7	Low	7 Å²	7	55.1 Å²	55.1	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.3	177.4	-46.3	-176	0	0	0	109	V139 V142 V151 H155 T165 L167	V139-I153 HydrophobicContact CB-CG2 4.4Å; V139-I153 HydrophobicContact CG1-CG2 3.29Å; V139-I153 HydrophobicContact CG2-CG2 4.36Å; V142-I153 HydrophobicContact CG1-CG1 4.5Å; V142-I153 HydrophobicContact CG2-CG2 4.29Å; V151-I153 HydrophobicContact CG1-CG1 3.99Å; I153-H155 WeakPolarHBondContact CB-NE2 3.48Å; I153-H155 WeakPolarHBondContact CG2-CE1 3.36Å; I153-H155 WeakPolarHBondContact CG2-NE2 3.47Å; I153-T165 PolarHBondContact N-O 3.5Å; I153-T165 PolarHBondContact O-N 3.37Å; I153-L167 HydrophobicContact CB-CD1 4.38Å; I153-L167 HydrophobicContact CD1-CD1 3.37Å; I153-L167 HydrophobicContact CG1-CD1 3.81Å
154	G	71	Confident	67.6	Low	6 Å²	6	57.8 Å²	57.8	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110	174.5	0	0	0	0	0	110.6	G140 V141	G140-G154 WeakPolarHBondContact CA-O 3.38Å; G140-G154 PolarHBondContact N-O 3.3Å; V141-G154 PolarHBondContact N-O 2.88Å; V141-G154 PolarHBondContact O-N 3.04Å
155	H	69.7	Low	67.4	Low	13 Å²	13	59.1 Å²	59.1	6%	0.06	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	155.1	172.6	-57.2	-79	0	0	0	110.4	I153 Q163 F209	I153-H155 WeakPolarHBondContact CB-NE2 3.48Å; I153-H155 WeakPolarHBondContact CG2-CE1 3.36Å; I153-H155 WeakPolarHBondContact CG2-NE2 3.47Å; H155-Q163 PolarHBondContact N-O 3.48Å; H155-Q163 PolarHBondContact O-N 3.23Å; H155-F209 AromaticContact CD2-CE1 3.73Å; H155-F209 AromaticContact CE1-CD1 2.88Å; H155-F209 WeakPolarHBondContact CE1-CD1 3.47Å; H155-F209 AromaticContact CE1-CE1 3.05Å; H155-F209 WeakPolarHBondContact CE1-CE1 3.39Å; H155-F209 AromaticContact CE1-CG 3.4Å; H155-F209 WeakPolarHBondContact CE1-CG 3.44Å; H155-F209 AromaticContact CE1-CZ 3.72Å; H155-F209 AromaticContact CG-CE1 3.88Å; H155-F209 AromaticContact ND1-CD1 3.41Å; H155-F209 WeakPolarHBondContact ND1-CD1 3.47Å; H155-F209 AromaticContact ND1-CE1 3.49Å; H155-F209 WeakPolarHBondContact ND1-CE1 3.38Å; H155-F209 AromaticContact NE2-CD1 3.5Å; H155-F209 AromaticContact NE2-CE1 3.18Å; H155-F209 WeakPolarHBondContact NE2-CE1 3.36Å; H155-F209 AromaticContact NE2-CE2 3.91Å; H155-F209 AromaticContact NE2-CG 3.95Å; H155-F209 AromaticContact NE2-CZ 3.4Å; H155-F209 WeakPolarHBondContact NE2-CZ 3.46Å
156	L	66.1	Low	66.9	Low	6 Å²	6	63.4 Å²	63.4	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.6	167.1	-59.8	81.1	0	0	0	108.6	I76 F79 Q80	I76-L156 HydrophobicContact CD1-CD1 3.21Å; I76-L156 HydrophobicContact CD1-CD2 4.29Å; I76-L156 HydrophobicContact CD1-CG 3.76Å; I76-L156 HydrophobicContact CG1-CD1 3.52Å; I76-L156 HydrophobicContact CG1-CD2 3.84Å; I76-L156 HydrophobicContact CG1-CG 3.88Å; F79-L156 HydrophobicContact CB-CD2 4.4Å; Q80-L156 HydrophobicContact CB-CD2 4.16Å
157	T	68.9	Low	66.7	Low	27 Å²	27	56.3 Å²	56.3	17%	0.166	27%	0.27	C	S	.	.			trans	-71.4	159.3	158.7	58.4	0	0	0	0	109.8	W159 G160 R161 Q163	T157-W159 PolarHBondContact O-N 3.3Å; T157-G160 PolarHBondContact O-N 3.43Å; T157-R161 PolarHBondContact N-O 2.91Å; T157-R161 WeakPolarHBondContact OG1-CB 3.34Å; T157-R161 PolarHBondContact OG1-N 3.08Å; T157-R161 PolarHBondContact OG1-O 3.14Å; T157-Q163 HydrophobicContact CG2-CB 3.72Å; T157-Q163 HydrophobicContact CG2-CG 3.33Å
158	F	65.4	Low	66.5	Low	31 Å²	31	52.2 Å²	52.2	14%	0.136	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-32	174.6	171.3	-110.8	0	0	0	114.4	S83 I87 L128 S132 G160	S83-F158 PolarHBondContact OG-O 3.41Å; I87-F158 HydrophobicContact CG1-CZ 4.44Å; L128-F158 HydrophobicContact CD1-CZ 4.27Å; L128-F158 HydrophobicContact CD2-CE2 4.01Å; L128-F158 HydrophobicContact CD2-CZ 3.73Å; L128-F158 HydrophobicContact CG-CE2 4.15Å; L128-F158 HydrophobicContact CG-CZ 4.04Å; S132-F158 WeakPolarHBondContact OG-CD2 3Å; F158-G160 VanDerWaalsContact C-N 3.34Å; F158-G160 PolarHBondContact O-N 2.99Å
159	W	63.7	Low	66.4	Low	76 Å²	76	52.2 Å²	52.2	29%	0.288	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.8	-177.3	-64.2	93.9	0	0	0	114.7	F23 I87 T157 R161	F23-W159 AromaticContact CD2-CZ3 3.89Å; F23-W159 HydrophobicContact CD2-CZ3 3.89Å; F23-W159 AromaticContact CE2-CE3 3.69Å; F23-W159 HydrophobicContact CE2-CE3 3.69Å; F23-W159 HydrophobicContact CE2-CH2 4.38Å; F23-W159 AromaticContact CE2-CZ3 3.36Å; F23-W159 HydrophobicContact CE2-CZ3 3.36Å; F23-W159 HydrophobicContact CZ-CE3 4.3Å; F23-W159 AromaticContact CZ-CZ3 3.96Å; F23-W159 HydrophobicContact CZ-CZ3 3.96Å; I87-W159 HydrophobicContact CD1-CD2 4.26Å; I87-W159 HydrophobicContact CD1-CE3 3.58Å; I87-W159 HydrophobicContact CD1-CZ3 3.94Å; I87-W159 HydrophobicContact CG1-CE3 4.44Å; I87-W159 HydrophobicContact CG1-CZ3 4.32Å; I87-W159 HydrophobicContact CG2-CE3 4.28Å; I87-W159 HydrophobicContact CG2-CH2 4.46Å; I87-W159 HydrophobicContact CG2-CZ3 3.62Å; T157-W159 PolarHBondContact O-N 3.3Å; W159-R161 PolarHBondContact O-N 3.16Å
160	G	63.6	Low	65.9	Low	2 Å²	2	54.4 Å²	54.4	2%	0.021	28%	0.276	C	S	.	.	S	Bend	trans	68.3	14.8	-175.2	0	0	0	0	0	113.8	Q80 S83 T157 F158	Q80-G160 PolarHBondContact NE2-O 3.11Å; S83-G160 PolarHBondContact OG-N 2.99Å; T157-G160 PolarHBondContact O-N 3.43Å; F158-G160 VanDerWaalsContact C-N 3.34Å; F158-G160 PolarHBondContact O-N 2.99Å
161	R	64.8	Low	65.4	Low	161 Å²	161	54 Å²	54	61%	0.608	27%	0.273	S	S	*	.			trans	-86.8	135.5	169.9	-74.5	-176	162.8	149.7	-0.1	109.6	T157 W159 Q163	T157-R161 PolarHBondContact N-O 2.91Å; T157-R161 WeakPolarHBondContact OG1-CB 3.34Å; T157-R161 PolarHBondContact OG1-N 3.08Å; T157-R161 PolarHBondContact OG1-O 3.14Å; W159-R161 PolarHBondContact O-N 3.16Å; R161-Q163 PolarHBondContact O-N 3.33Å
162	R	67.7	Low	64.8	Low	131 Å²	131	54.9 Å²	54.9	49%	0.494	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	122.3	171	-68.9	-174.6	173.9	-156.3	-5.6	109.4
163	Q	66.6	Low	64.1	Low	115 Å²	115	52.1 Å²	52.1	54%	0.537	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.2	161.4	-91.9	-174	9.7	0	0	108	H155 T157 R161	H155-Q163 PolarHBondContact N-O 3.48Å; H155-Q163 PolarHBondContact O-N 3.23Å; T157-Q163 HydrophobicContact CG2-CB 3.72Å; T157-Q163 HydrophobicContact CG2-CG 3.33Å; R161-Q163 PolarHBondContact O-N 3.33Å
164	N	69.6	Low	63.3	Low	76 Å²	76	53.9 Å²	53.9	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.7	176.7	-58.4	-27.6	0	0	0	107.8	R152	R152-N164 HydrophobicContact CG-CB 3.93Å; R152-N164 VanDerWaalsContact CZ-ND2 3.28Å; R152-N164 PolarHBondContact NE-ND2 3.01Å; R152-N164 PolarHBondContact NH2-ND2 2.84Å
165	T	66.4	Low	62.5	Low	43 Å²	43	54.2 Å²	54.2	26%	0.264	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.6	170.5	-51.9	0	0	0	0	107.2	R152 I153 L167	R152-T165 WeakPolarHBondContact CA-O 3.44Å; I153-T165 PolarHBondContact N-O 3.5Å; I153-T165 PolarHBondContact O-N 3.37Å; T165-L167 HydrophobicContact CG2-CD1 4.39Å; T165-L167 HydrophobicContact CG2-CD2 4.29Å; T165-L167 HydrophobicContact CG2-CG 4.08Å
166	I	63.9	Low	61.6	Low	97 Å²	97	58.2 Å²	58.2	50%	0.497	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.4	174.9	-56.7	170.5	0	0	0	106.3	W67 L150 R152	W67-I166 HydrophobicContact CH2-CG2 4.16Å; L150-I166 HydrophobicContact CB-CG2 4.32Å; L150-I166 HydrophobicContact CD1-CG2 4.44Å; R152-I166 HydrophobicContact CB-CG1 4.31Å; R152-I166 HydrophobicContact CG-CG1 4.01Å
167	L	62.8	Low	61	Low	16 Å²	16	63 Å²	63	8%	0.084	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.1	-179.1	-68.9	154.1	0	0	0	108.5	V151 I153 T165 T192 F209	V151-L167 CarbonylContact C-O 3.57Å; V151-L167 PolarHBondContact N-O 3.49Å; V151-L167 PolarHBondContact O-N 2.95Å; V151-L167 VanDerWaalsContact O-O 3.06Å; I153-L167 HydrophobicContact CB-CD1 4.38Å; I153-L167 HydrophobicContact CD1-CD1 3.37Å; I153-L167 HydrophobicContact CG1-CD1 3.81Å; T165-L167 HydrophobicContact CG2-CD1 4.39Å; T165-L167 HydrophobicContact CG2-CD2 4.29Å; T165-L167 HydrophobicContact CG2-CG 4.08Å; L167-T192 HydrophobicContact CD1-CG2 3.49Å; L167-T192 VanDerWaalsContact CD1-CG2 3.49Å; L167-T192 HydrophobicContact CD2-CG2 3.85Å; L167-T192 HydrophobicContact CG-CG2 4.24Å; L167-F209 HydrophobicContact CD1-CE2 4.37Å
168	N	61.6	Low	60.4	Low	75 Å²	75	63 Å²	63	40%	0.401	34%	0.337	S	S	.	.			trans	-76.6	141.2	173.8	-163.5	10.9	0	0	0	109.9	L150 G170 Q171	L150-N168 HydrophobicContact CD2-CB 4.01Å; N168-G170 PolarHBondContact O-N 3.46Å; N168-Q171 PolarHBondContact O-N 3.36Å
169	S	58.7	Low	59.8	Low	54 Å²	54	69.6 Å²	69.6	38%	0.378	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-56.7	-32.7	-179.6	42.6	0	0	0	0	112.7	G149 Q171 I172	G149-S169 WeakPolarHBondContact O-CB 3.48Å; G149-S169 PolarHBondContact O-OG 3.28Å; S169-Q171 PolarHBondContact O-N 3.48Å; S169-I172 PolarHBondContact O-N 2.9Å
170	G	55.8	Low	59.3	Low	73 Å²	73	74.3 Å²	74.3	75%	0.753	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-69.5	-5.1	177.1	0	0	0	0	0	115.8	N168	N168-G170 PolarHBondContact O-N 3.46Å
171	Q	55	Low	58.6	Low	42 Å²	42	76.8 Å²	76.8	20%	0.196	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-103.7	-0.6	177.7	-70.5	179.5	-7.6	0	0	113.2	N168 S169 V173 T192 I193 A195	N168-Q171 PolarHBondContact O-N 3.36Å; S169-Q171 PolarHBondContact O-N 3.48Å; Q171-V173 PolarHBondContact O-N 3.28Å; Q171-T192 WeakPolarHBondContact O-CA 3.45Å; Q171-I193 WeakPolarHBondContact CB-O 3.27Å; Q171-I193 VanDerWaalsContact CD-O 3.25Å; Q171-I193 VanDerWaalsContact CG-O 3.24Å; Q171-I193 WeakPolarHBondContact CG-O 3.41Å; Q171-I193 PolarHBondContact O-N 3.49Å; Q171-I193 PolarHBondContact OE1-O 2.97Å; Q171-A195 VanDerWaalsContact NE2-CB 3.32Å
172	I	55.5	Low	57.8	Low	20 Å²	20	72.6 Å²	72.6	10%	0.103	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	106.8	-176.8	-56.6	177.1	0	0	0	107.5	V151 S169 P174 V190 I227	V151-I172 HydrophobicContact CB-CD1 3.68Å; V151-I172 HydrophobicContact CG1-CD1 4.07Å; V151-I172 HydrophobicContact CG2-CD1 3.37Å; S169-I172 PolarHBondContact O-N 2.9Å; I172-P174 WeakPolarHBondContact O-CD 3.46Å; I172-V190 HydrophobicContact CG2-CG1 3.56Å; I172-I227 HydrophobicContact CD1-CG2 4.42Å
173	V	57.5	Low	57.1	Low	23 Å²	23	76.3 Å²	76.3	14%	0.139	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.7	173.3	-179.9	0	0	0	0	107.3	Q171 D177 L178 G191 I193	Q171-V173 PolarHBondContact O-N 3.28Å; V173-D177 HydrophobicContact CG1-CB 3.64Å; V173-L178 HydrophobicContact CB-CD1 4.27Å; V173-L178 HydrophobicContact CG1-CD1 3.73Å; V173-G191 PolarHBondContact N-O 2.98Å; V173-G191 VanDerWaalsContact N-O 3.08Å; V173-I193 HydrophobicContact CG2-CD1 3.26Å; V173-I193 HydrophobicContact CG2-CG1 3.56Å
174	P	55	Low	56.3	Low	45 Å²	45	80.8 Å²	80.8	29%	0.292	45%	0.446	S	S	.	.			trans	-59.1	140.7	174.9	24.3	-30.6	0	0	0	108.6	I172 S176 D177	I172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-S176 PolarHBondContact O-N 2.89Å; P174-D177 PolarHBondContact O-N 3.42Å
175	P	54	Low	55.4	Low	12 Å²	12	78.1 Å²	78.1	8%	0.078	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-62.2	-12.3	-175.1	28.7	-38.9	0	0	0	114.1	D177 L178 V188 R189 F230	P175-D177 PolarHBondContact O-N 3.49Å; P175-L178 PolarHBondContact O-N 2.94Å; P175-V188 HydrophobicContact CB-CG1 3.6Å; P175-V188 HydrophobicContact CG-CG1 3.54Å; P175-R189 WeakPolarHBondContact CB-O 3.4Å; P175-F230 HydrophobicContact CG-CD1 3.62Å; P175-F230 HydrophobicContact CG-CE1 3.27Å; P175-F230 HydrophobicContact CG-CZ 4.3Å
176	S	50	Low	54.9	Low	97 Å²	97	78.8 Å²	78.8	68%	0.678	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.1	170.4	-58.2	0	0	0	0	113	P174	P174-S176 PolarHBondContact O-N 2.89Å
177	D	54.9	Low	54.3	Low	108 Å²	108	78.2 Å²	78.2	58%	0.578	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-89.5	-8.3	179.2	-62	-24.4	0	0	0	112.6	V173 P174 P175 I179	V173-D177 HydrophobicContact CG1-CB 3.64Å; P174-D177 PolarHBondContact O-N 3.42Å; P175-D177 PolarHBondContact O-N 3.49Å; D177-I179 PolarHBondContact O-N 2.94Å
178	L	55.2	Low	54	Low	27 Å²	27	78 Å²	78	14%	0.141	43%	0.431	C	S	.	.	S	Bend	trans	-87.3	93.8	171.6	-88.2	75.6	0	0	0	108.8	V173 P175 E180 T181 R189 I205 T208	V173-L178 HydrophobicContact CB-CD1 4.27Å; V173-L178 HydrophobicContact CG1-CD1 3.73Å; P175-L178 PolarHBondContact O-N 2.94Å; L178-E180 PolarHBondContact O-N 3.14Å; L178-T181 PolarHBondContact O-N 3.28Å; L178-R189 HydrophobicContact CD2-CB 3.82Å; L178-I205 HydrophobicContact CD1-CD1 4.46Å; L178-I205 HydrophobicContact CG-CD1 4.3Å; L178-T208 HydrophobicContact CD2-CG2 4.36Å
179	I	52.5	Low	53.8	Low	168 Å²	168	78.5 Å²	78.5	86%	0.862	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	3.5	-175.1	-67.7	167.3	0	0	0	115.8	D177	D177-I179 PolarHBondContact O-N 2.94Å
180	E	54.2	Low	53.8	Low	176 Å²	176	76.1 Å²	76.1	82%	0.822	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	34	-177.3	-60.3	-160.6	-178.6	0	0	115.3	L178 P182	L178-E180 PolarHBondContact O-N 3.14Å; E180-P182 WeakPolarHBondContact O-CD 3.34Å
181	T	49.4	Very low	53.8	Low	54 Å²	54	72.6 Å²	72.6	33%	0.331	37%	0.374	S	S	.	.			trans	-89.9	104.9	168.7	-50.8	0	0	0	0	109.2	L178 E183	L178-T181 PolarHBondContact O-N 3.28Å; T181-E183 PolarHBondContact O-N 3.44Å
182	P	47.7	Very low	53.8	Low	73 Å²	73	71 Å²	71	47%	0.474	37%	0.368	S	S	.	.			trans	-61.3	126.1	170.2	24.3	-30.6	0	0	0	108	E180 K184 S185	E180-P182 WeakPolarHBondContact O-CD 3.34Å; P182-K184 PolarHBondContact O-N 3.47Å; P182-S185 PolarHBondContact O-N 3.45Å; P182-S185 PolarHBondContact O-OG 3.35Å
183	E	53.1	Low	53.8	Low	209 Å²	209	72.7 Å²	72.7	98%	0.977	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-14.5	-172.8	-135	-179.5	178.1	0	0	114.6	T181	T181-E183 PolarHBondContact O-N 3.44Å
184	K	49.9	Very low	53.6	Low	209 Å²	209	76 Å²	76	91%	0.909	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	18.9	-176.4	-155.6	174.1	-179.8	174.9	0	114.3	P182	P182-K184 PolarHBondContact O-N 3.47Å
185	S	50.1	Low	53.4	Low	19 Å²	19	77 Å²	77	13%	0.133	41%	0.405	C	S	.	.			trans	-101.3	129.5	-176.6	58.8	0	0	0	0	113.4	P182 Y187	P182-S185 PolarHBondContact O-N 3.45Å; P182-S185 PolarHBondContact O-OG 3.35Å; S185-Y187 PolarHBondContact O-N 3.41Å
186	S	55.1	Low	53	Low	57 Å²	57	80.4 Å²	80.4	40%	0.399	42%	0.423	S	S	.	.	S	Bend	trans	-69.4	13	-178.3	-167.2	0	0	0	0	114.3	N213 V214	S186-N213 PolarHBondContact O-N 3.41Å; S186-N213 VanDerWaalsContact O-N 3.09Å; S186-V214 WeakPolarHBondContact OG-CG2 3.46Å
187	Y	52.2	Low	53.1	Low	86 Å²	86	81.7 Å²	81.7	34%	0.337	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138	-177.7	58.1	-98	0	0	0	111.3	S185 L210 L211	S185-Y187 PolarHBondContact O-N 3.41Å; Y187-L210 HydrophobicContact CD2-CD2 3.45Å; Y187-L210 VanDerWaalsContact CD2-CD2 3.45Å; Y187-L210 HydrophobicContact CE2-CD2 4.24Å; Y187-L210 HydrophobicContact CG-CD2 3.9Å; Y187-L211 CarbonylContact C-O 3.58Å; Y187-L211 WeakPolarHBondContact CA-O 3.3Å
188	V	57.5	Low	52.9	Low	12 Å²	12	83.4 Å²	83.4	7%	0.073	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128	173	161.9	0	0	0	0	108.3	P175 V190 L211 F230 W232	P175-V188 HydrophobicContact CB-CG1 3.6Å; P175-V188 HydrophobicContact CG-CG1 3.54Å; V188-V190 HydrophobicContact CG1-CG2 4.1Å; V188-L211 HydrophobicContact CB-CB 4.2Å; V188-L211 HydrophobicContact CG1-CD1 4.29Å; V188-L211 PolarHBondContact N-O 2.98Å; V188-L211 PolarHBondContact O-N 3.48Å; V188-F230 HydrophobicContact CB-CZ 4.05Å; V188-F230 HydrophobicContact CG1-CE1 3.85Å; V188-F230 HydrophobicContact CG1-CZ 3.65Å; V188-F230 HydrophobicContact CG2-CE1 4.24Å; V188-F230 HydrophobicContact CG2-CE2 3.86Å; V188-F230 HydrophobicContact CG2-CZ 3.67Å; V188-W232 HydrophobicContact CB-CZ2 4.24Å; V188-W232 HydrophobicContact CG2-CH2 4.04Å; V188-W232 HydrophobicContact CG2-CZ2 3.38Å
189	R	56.2	Low	52.5	Low	85 Å²	85	85.1 Å²	85.1	32%	0.321	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.9	173.3	-73.6	-176.2	-174.1	-147.5	8.4	109.6	P175 L178 F209 L210	P175-R189 WeakPolarHBondContact CB-O 3.4Å; L178-R189 HydrophobicContact CD2-CB 3.82Å; R189-F209 CarbonylContact C-O 3.48Å; R189-F209 WeakPolarHBondContact CA-O 3.42Å; R189-L210 HydrophobicContact CG-CD2 3.44Å; R189-L210 VanDerWaalsContact CG-CD2 3.44Å; R189-L210 HydrophobicContact CG-CG 4.31Å
190	V	58	Low	52.3	Low	3 Å²	3	84.3 Å²	84.3	2%	0.018	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.4	172.1	-177.6	0	0	0	0	107.8	I172 V188 F209 L211 F228	I172-V190 HydrophobicContact CG2-CG1 3.56Å; V188-V190 HydrophobicContact CG1-CG2 4.1Å; V190-F209 PolarHBondContact N-O 2.89Å; V190-F209 PolarHBondContact O-N 3.34Å; V190-L211 HydrophobicContact CG2-CD1 3.39Å; V190-L211 HydrophobicContact CG2-CG 4.16Å; V190-F228 HydrophobicContact CG1-CE1 4.39Å; V190-F228 HydrophobicContact CG2-CD1 4.19Å; V190-F228 HydrophobicContact CG2-CE1 3.67Å
191	G	57.3	Low	51.6	Low	0 Å²	0	84.3 Å²	84.3	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.5	172.8	0	0	0	0	0	110.2	V173	V173-G191 PolarHBondContact N-O 2.98Å; V173-G191 VanDerWaalsContact N-O 3.08Å
192	T	54.2	Low	51.3	Low	9 Å²	9	90.7 Å²	90.7	6%	0.055	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.6	169.3	57.7	0	0	0	0	109.7	L167 Q171 R207 F209	L167-T192 HydrophobicContact CD1-CG2 3.49Å; L167-T192 VanDerWaalsContact CD1-CG2 3.49Å; L167-T192 HydrophobicContact CD2-CG2 3.85Å; L167-T192 HydrophobicContact CG-CG2 4.24Å; Q171-T192 WeakPolarHBondContact O-CA 3.45Å; T192-R207 PolarHBondContact N-O 2.98Å; T192-F209 HydrophobicContact CG2-CD2 3.94Å; T192-F209 HydrophobicContact CG2-CE2 3.69Å
193	I	56.1	Low	51.2	Low	55 Å²	55	93.9 Å²	93.9	28%	0.282	49%	0.49	S	S	.	.			trans	-87.6	113.6	170.7	-61.9	166.4	0	0	0	107.4	Q171 V173 A195 L203	Q171-I193 WeakPolarHBondContact CB-O 3.27Å; Q171-I193 VanDerWaalsContact CD-O 3.25Å; Q171-I193 VanDerWaalsContact CG-O 3.24Å; Q171-I193 WeakPolarHBondContact CG-O 3.41Å; Q171-I193 PolarHBondContact O-N 3.49Å; Q171-I193 PolarHBondContact OE1-O 2.97Å; V173-I193 HydrophobicContact CG2-CD1 3.26Å; V173-I193 HydrophobicContact CG2-CG1 3.56Å; I193-A195 PolarHBondContact O-N 3.37Å; I193-L203 HydrophobicContact CD1-CD1 4.26Å; I193-L203 HydrophobicContact CG2-CD1 4.06Å
194	D	52.5	Low	50.6	Low	92 Å²	92	86.2 Å²	86.2	49%	0.492	47%	0.467	S	S	.	.			trans	-73.8	110.9	171.5	-162.7	-2.3	0	0	0	108.5	N196	D194-N196 PolarHBondContact O-N 3.45Å
195	A	50.2	Low	50.5	Low	66 Å²	66	80.6 Å²	80.6	55%	0.545	45%	0.446	S	S	.	.			trans	-80.1	66.9	172.8	0	0	0	0	0	109.2	Q171 I193 P197	Q171-A195 VanDerWaalsContact NE2-CB 3.32Å; I193-A195 PolarHBondContact O-N 3.37Å; A195-P197 VanDerWaalsContact O-CD 3.26Å; A195-P197 WeakPolarHBondContact O-CD 3.32Å
196	N	46.9	Very low	50.6	Low	84 Å²	84	84.9 Å²	84.9	45%	0.449	46%	0.464	S	S	.	.			trans	-86.1	108.4	166.7	-174.1	-25.4	0	0	0	108.7	D194 N198 S199	D194-N196 PolarHBondContact O-N 3.45Å; N196-N198 PolarHBondContact O-N 2.85Å; N196-N198 PolarHBondContact OD1-N 3.43Å; N196-S199 PolarHBondContact O-N 3.01Å
197	P	51.1	Low	50.5	Low	123 Å²	123	88.2 Å²	88.2	80%	0.799	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.3	-176.9	26.8	-34.7	0	0	0	114.1	A195	A195-P197 VanDerWaalsContact O-CD 3.26Å; A195-P197 WeakPolarHBondContact O-CD 3.32Å
198	N	50.8	Low	50.5	Low	145 Å²	145	85.9 Å²	85.9	78%	0.775	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	8.6	-177.1	-64.1	-16.6	0	0	0	113.6	N196	N196-N198 PolarHBondContact O-N 2.85Å; N196-N198 PolarHBondContact OD1-N 3.43Å
199	S	48.5	Very low	50.7	Low	63 Å²	63	86 Å²	86	44%	0.441	46%	0.463	S	S	.	.			trans	-101	104.6	180	-166.9	0	0	0	0	110.8	N196 K201	N196-S199 PolarHBondContact O-N 3.01Å; S199-K201 PolarHBondContact O-N 2.95Å
200	T	46.5	Very low	50.8	Low	151 Å²	151	83.5 Å²	83.5	93%	0.926	46%	0.455	S	S	*	.			trans	-66.4	18.8	175.8	-6	0	0	0	0	114.1
201	K	40.5	Very low	50.9	Low	176 Å²	176	83.6 Å²	83.6	77%	0.765	46%	0.456	S	S	*	.	S	Bend	trans	-98.1	107.5	176	-72.9	-176.7	178.8	176.6	0	108.8	S199 L203	S199-K201 PolarHBondContact O-N 2.95Å; K201-L203 PolarHBondContact O-N 3.25Å; K201-L203 VanDerWaalsContact O-N 3.1Å
202	H	43.2	Very low	50.9	Low	187 Å²	187	85.8 Å²	85.8	87%	0.866	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.3	114.1	167.9	-109.7	-95.5	0	0	0	111.2	G204	H202-G204 VanDerWaalsContact C-N 3.26Å; H202-G204 PolarHBondContact O-N 3.35Å
203	L	45.1	Very low	50.9	Low	140 Å²	140	87.8 Å²	87.8	73%	0.733	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	22.4	59.7	155.5	-155.1	73.9	0	0	0	115	I193 K201	I193-L203 HydrophobicContact CD1-CD1 4.26Å; I193-L203 HydrophobicContact CG2-CD1 4.06Å; K201-L203 PolarHBondContact O-N 3.25Å; K201-L203 VanDerWaalsContact O-N 3.1Å
204	G	40.1	Very low	50.6	Low	48 Å²	48	89 Å²	89	50%	0.495	49%	0.489	S	S	.	.			trans	-94.3	121.9	-177.6	0	0	0	0	0	109.8	H202 E206	H202-G204 VanDerWaalsContact C-N 3.26Å; H202-G204 PolarHBondContact O-N 3.35Å; G204-E206 VanDerWaalsContact C-N 3.33Å; G204-E206 PolarHBondContact O-N 3.44Å
205	I	47.9	Very low	50.8	Low	92 Å²	92	91.5 Å²	91.5	47%	0.472	50%	0.496	S	S	.	.			trans	-61.4	95.1	169.8	-57.8	167.3	0	0	0	107.6	L178 T208	L178-I205 HydrophobicContact CD1-CD1 4.46Å; L178-I205 HydrophobicContact CG-CD1 4.3Å; I205-T208 HydrophobicContact CG2-CG2 3.67Å
206	E	52	Low	51.1	Low	109 Å²	109	89.4 Å²	89.4	51%	0.509	48%	0.477	S	S	.	.			trans	-73.2	-34.8	-173.5	-164.2	-168.8	127.6	0	0	111	G204	G204-E206 VanDerWaalsContact C-N 3.33Å; G204-E206 PolarHBondContact O-N 3.44Å
207	R	54.2	Low	51.8	Low	126 Å²	126	90 Å²	90	48%	0.475	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	118.7	-175	-58.1	-174.1	-169.8	164.3	10	110.4	T192 F209	T192-R207 PolarHBondContact N-O 2.98Å; R207-F209 HydrophobicContact CB-CE1 4.28Å; R207-F209 HydrophobicContact CB-CE2 3.86Å; R207-F209 HydrophobicContact CB-CZ 3.74Å
208	T	52.1	Low	52.5	Low	38 Å²	38	85.7 Å²	85.7	23%	0.233	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	170.3	47.5	0	0	0	0	108.6	L178 I205	L178-T208 HydrophobicContact CD2-CG2 4.36Å; I205-T208 HydrophobicContact CG2-CG2 3.67Å
209	F	60.8	Low	53.2	Low	14 Å²	14	84 Å²	84	6%	0.061	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.6	177.8	-66.1	-58.1	0	0	0	109.5	V139 H155 L167 R189 V190 T192 R207	V139-F209 HydrophobicContact CG2-CB 3.55Å; V139-F209 HydrophobicContact CG2-CD1 4.43Å; V139-F209 HydrophobicContact CG2-CG 4.28Å; H155-F209 AromaticContact CD2-CE1 3.73Å; H155-F209 AromaticContact CE1-CD1 2.88Å; H155-F209 WeakPolarHBondContact CE1-CD1 3.47Å; H155-F209 AromaticContact CE1-CE1 3.05Å; H155-F209 WeakPolarHBondContact CE1-CE1 3.39Å; H155-F209 AromaticContact CE1-CG 3.4Å; H155-F209 WeakPolarHBondContact CE1-CG 3.44Å; H155-F209 AromaticContact CE1-CZ 3.72Å; H155-F209 AromaticContact CG-CE1 3.88Å; H155-F209 AromaticContact ND1-CD1 3.41Å; H155-F209 WeakPolarHBondContact ND1-CD1 3.47Å; H155-F209 AromaticContact ND1-CE1 3.49Å; H155-F209 WeakPolarHBondContact ND1-CE1 3.38Å; H155-F209 AromaticContact NE2-CD1 3.5Å; H155-F209 AromaticContact NE2-CE1 3.18Å; H155-F209 WeakPolarHBondContact NE2-CE1 3.36Å; H155-F209 AromaticContact NE2-CE2 3.91Å; H155-F209 AromaticContact NE2-CG 3.95Å; H155-F209 AromaticContact NE2-CZ 3.4Å; H155-F209 WeakPolarHBondContact NE2-CZ 3.46Å; L167-F209 HydrophobicContact CD1-CE2 4.37Å; R189-F209 CarbonylContact C-O 3.48Å; R189-F209 WeakPolarHBondContact CA-O 3.42Å; V190-F209 PolarHBondContact N-O 2.89Å; V190-F209 PolarHBondContact O-N 3.34Å; T192-F209 HydrophobicContact CG2-CD2 3.94Å; T192-F209 HydrophobicContact CG2-CE2 3.69Å; R207-F209 HydrophobicContact CB-CE1 4.28Å; R207-F209 HydrophobicContact CB-CE2 3.86Å; R207-F209 HydrophobicContact CB-CZ 3.74Å
210	L	59.6	Low	54.1	Low	32 Å²	32	82.6 Å²	82.6	17%	0.168	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.6	178.7	-74.8	164.9	0	0	0	109.1	K137 V139 Y187 R189	K137-L210 HydrophobicContact CB-CD1 3.94Å; K137-L210 HydrophobicContact CD-CD1 3.65Å; K137-L210 HydrophobicContact CD-CG 4.45Å; K137-L210 HydrophobicContact CG-CD1 4.45Å; K137-L210 PolarHBondContact O-N 2.74Å; V139-L210 PolarHBondContact N-O 3.42Å; Y187-L210 HydrophobicContact CD2-CD2 3.45Å; Y187-L210 VanDerWaalsContact CD2-CD2 3.45Å; Y187-L210 HydrophobicContact CE2-CD2 4.24Å; Y187-L210 HydrophobicContact CG-CD2 3.9Å; R189-L210 HydrophobicContact CG-CD2 3.44Å; R189-L210 VanDerWaalsContact CG-CD2 3.44Å; R189-L210 HydrophobicContact CG-CG 4.31Å
211	L	59	Low	55.3	Low	6 Å²	6	82.8 Å²	82.8	3%	0.031	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.3	166	-70.9	168.1	0	0	0	107.9	Y71 V139 V142 Y187 V188 V190 F228	Y71-L211 HydrophobicContact CD1-CD2 4.32Å; Y71-L211 HydrophobicContact CE1-CD2 4.11Å; V139-L211 HydrophobicContact CB-CD2 4.05Å; V139-L211 HydrophobicContact CG1-CD2 4.1Å; V139-L211 HydrophobicContact CG2-CD2 4.3Å; V142-L211 HydrophobicContact CG2-CD2 4.13Å; Y187-L211 CarbonylContact C-O 3.58Å; Y187-L211 WeakPolarHBondContact CA-O 3.3Å; V188-L211 HydrophobicContact CB-CB 4.2Å; V188-L211 HydrophobicContact CG1-CD1 4.29Å; V188-L211 PolarHBondContact N-O 2.98Å; V188-L211 PolarHBondContact O-N 3.48Å; V190-L211 HydrophobicContact CG2-CD1 3.39Å; V190-L211 HydrophobicContact CG2-CG 4.16Å; L211-F228 HydrophobicContact CD1-CD1 4.31Å; L211-F228 HydrophobicContact CD1-CE1 3.74Å; L211-F228 HydrophobicContact CD1-CZ 3.91Å
212	T	57.2	Low	56.7	Low	45 Å²	45	82.1 Å²	82.1	28%	0.276	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.1	177.6	-60.8	0	0	0	0	109.7	Y71 V214	Y71-T212 PolarHBondContact OH-O 3.32Å; T212-V214 HydrophobicContact CG2-CB 3.81Å; T212-V214 HydrophobicContact CG2-CG2 3.74Å; T212-V214 PolarHBondContact O-N 2.99Å
213	N	53.7	Low	57.8	Low	52 Å²	52	76.5 Å²	76.5	28%	0.278	38%	0.382	S	S	.	.			trans	-72.4	-14.9	179.7	-168	3.1	0	0	0	112.9	S186 K215 S216 W232	S186-N213 PolarHBondContact O-N 3.41Å; S186-N213 VanDerWaalsContact O-N 3.09Å; N213-K215 PolarHBondContact O-N 2.93Å; N213-S216 PolarHBondContact O-N 2.96Å; N213-S216 PolarHBondContact O-OG 2.87Å; N213-W232 HydrophobicContact CB-CD2 3.96Å; N213-W232 HydrophobicContact CB-CE3 4.19Å; N213-W232 HydrophobicContact CB-CG 4.46Å; N213-W232 HydrophobicContact CB-CH2 4.27Å; N213-W232 HydrophobicContact CB-CZ2 4Å; N213-W232 HydrophobicContact CB-CZ3 4.34Å; N213-W232 WeakPolarHBondContact ND2-CB 3.1Å; N213-W232 VanDerWaalsContact ND2-CG 3.35Å
214	V	50.6	Low	58.8	Low	79 Å²	79	70.1 Å²	70.1	48%	0.479	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	106.4	-175.8	-172.8	0	0	0	0	111.6	S186 T212	S186-V214 WeakPolarHBondContact OG-CG2 3.46Å; T212-V214 HydrophobicContact CG2-CB 3.81Å; T212-V214 HydrophobicContact CG2-CG2 3.74Å; T212-V214 PolarHBondContact O-N 2.99Å
215	K	56.2	Low	60.3	Low	146 Å²	146	73.3 Å²	73.3	64%	0.635	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	35.1	178.4	-60.9	-179.2	176.2	176.8	0	115.6	R74 N213	R74-K215 PolarHBondContact N-O 2.94Å; N213-K215 PolarHBondContact O-N 2.93Å
216	S	56.7	Low	61.3	Low	22 Å²	22	76.7 Å²	76.7	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.7	168.2	45.6	0	0	0	0	112.5	Y71 R72 N213	Y71-S216 WeakPolarHBondContact CE2-OG 3.31Å; Y71-S216 VanDerWaalsContact CZ-CB 3.42Å; R72-S216 WeakPolarHBondContact O-CA 3.47Å; N213-S216 PolarHBondContact O-N 2.96Å; N213-S216 PolarHBondContact O-OG 2.87Å
217	E	62	Low	61.9	Low	97 Å²	97	73.6 Å²	73.6	45%	0.453	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115	164.3	-74.7	166.2	-165.9	0	0	107.1	R72 R74 L219	R72-E217 PolarHBondContact N-O 3.31Å; R72-E217 PolarHBondContact O-N 2.9Å; R74-E217 IonicContact NH1-OE1 2.99Å; R74-E217 PolarHBondContact NH1-OE1 3.43Å; E217-L219 HydrophobicContact CB-CD1 4.39Å
218	I	65.8	Low	62.4	Low	32 Å²	32	67.8 Å²	67.8	16%	0.164	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.5	172.9	-56.4	171	0	0	0	106.1	R221 F224	I218-R221 HydrophobicContact CB-CG 4.5Å; I218-R221 HydrophobicContact CG2-CB 4.5Å; I218-R221 HydrophobicContact CG2-CG 3.81Å; I218-F224 HydrophobicContact CG2-CB 4.4Å
219	L	65	Low	62.9	Low	108 Å²	108	68.9 Å²	68.9	57%	0.565	35%	0.345	S	S	*	.	S	Bend	trans	-77.9	-30.7	-177.8	-82.2	80.4	0	0	0	111.9	P69 I70 E217	P69-L219 HydrophobicContact CG-CD2 4.35Å; I70-L219 PolarHBondContact O-N 3.29Å; I70-L219 VanDerWaalsContact O-N 3.1Å; E217-L219 HydrophobicContact CB-CD1 4.39Å
220	D	68.5	Low	63.1	Low	35 Å²	35	70.1 Å²	70.1	19%	0.187	35%	0.351	C	S	.	.			trans	-141.3	97.4	-176	-165.7	-23.6	0	0	0	110	E222 K223 F224	D220-E222 VanDerWaalsContact C-N 3.35Å; D220-E222 PolarHBondContact OD1-N 3.3Å; D220-K223 HydrophobicContact CB-CB 4.46Å; D220-K223 PolarHBondContact OD1-N 3.25Å; D220-K223 VanDerWaalsContact OD2-CD 3.29Å; D220-K223 WeakPolarHBondContact OD2-CD 3.34Å; D220-K223 WeakPolarHBondContact OD2-CE 3.26Å; D220-K223 WeakPolarHBondContact OD2-CG 3.47Å; D220-K223 IonicContact OD2-NZ 2.72Å; D220-K223 PolarHBondContact OD2-NZ 3.39Å; D220-F224 WeakPolarHBondContact O-CB 3.39Å; D220-F224 PolarHBondContact O-N 3.2Å
221	R	70.6	Confident	63.2	Low	154 Å²	154	73.3 Å²	73.3	58%	0.581	37%	0.367	S	S	*	.	H	α-helix	trans	-69.9	-32.5	-175.9	-67.3	-178.7	-178.1	-88.6	0.6	112.3	I218 F224 K225	I218-R221 HydrophobicContact CB-CG 4.5Å; I218-R221 HydrophobicContact CG2-CB 4.5Å; I218-R221 HydrophobicContact CG2-CG 3.81Å; R221-F224 PolarHBondContact O-N 3.08Å; R221-K225 WeakPolarHBondContact O-CB 3.37Å; R221-K225 PolarHBondContact O-N 3.15Å
222	E	70.8	Confident	63	Low	163 Å²	163	78.8 Å²	78.8	76%	0.762	39%	0.387	S	S	*	.	H	α-helix	trans	-71.7	-47.6	-175.6	-61.9	-171.6	165.3	0	0	110.7	D220 F224 K225 Q226	D220-E222 VanDerWaalsContact C-N 3.35Å; D220-E222 PolarHBondContact OD1-N 3.3Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 3.2Å; E222-K225 PolarHBondContact O-N 3.19Å; E222-Q226 PolarHBondContact O-N 3.44Å
223	K	66.9	Low	63.2	Low	69 Å²	69	80.5 Å²	80.5	30%	0.3	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-43.7	173.9	-66	-168.6	-172.2	112.1	0	110.8	I70 D220 K225 Q226 I227	I70-K223 HydrophobicContact CD1-CB 3.8Å; I70-K223 HydrophobicContact CG1-CB 4.47Å; D220-K223 HydrophobicContact CB-CB 4.46Å; D220-K223 PolarHBondContact OD1-N 3.25Å; D220-K223 VanDerWaalsContact OD2-CD 3.29Å; D220-K223 WeakPolarHBondContact OD2-CD 3.34Å; D220-K223 WeakPolarHBondContact OD2-CE 3.26Å; D220-K223 WeakPolarHBondContact OD2-CG 3.47Å; D220-K223 IonicContact OD2-NZ 2.72Å; D220-K223 PolarHBondContact OD2-NZ 3.39Å; K223-K225 VanDerWaalsContact C-N 3.31Å; K223-K225 PolarHBondContact O-N 3.49Å; K223-Q226 WeakPolarHBondContact O-CB 3.3Å; K223-Q226 PolarHBondContact O-N 3.24Å; K223-Q226 VanDerWaalsContact O-N 3.09Å; K223-I227 VanDerWaalsContact O-CD1 3.25Å; K223-I227 WeakPolarHBondContact O-CD1 3.45Å; K223-I227 PolarHBondContact O-N 3.01Å
224	F	66	Low	63.7	Low	5 Å²	5	82 Å²	82	2%	0.022	40%	0.399	C	S	.	.	H	α-helix	trans	-54.9	-47.1	176.4	-171.5	-89.8	0	0	0	112	I70 Y71 I218 D220 R221 E222 Q226 I227 F228 F230	I70-F224 HydrophobicContact CG2-CB 3.73Å; I70-F224 HydrophobicContact CG2-CD2 3.88Å; I70-F224 HydrophobicContact CG2-CG 4.31Å; Y71-F224 HydrophobicContact CD2-CE2 4.4Å; I218-F224 HydrophobicContact CG2-CB 4.4Å; D220-F224 WeakPolarHBondContact O-CB 3.39Å; D220-F224 PolarHBondContact O-N 3.2Å; R221-F224 PolarHBondContact O-N 3.08Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 3.2Å; F224-Q226 VanDerWaalsContact C-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.32Å; F224-I227 PolarHBondContact O-N 2.92Å; F224-F228 HydrophobicContact CD1-CB 4.44Å; F224-F228 HydrophobicContact CD1-CD2 4.14Å; F224-F228 AromaticContact CD2-CD2 3.45Å; F224-F228 HydrophobicContact CD2-CD2 3.45Å; F224-F228 VanDerWaalsContact CD2-CD2 3.45Å; F224-F228 AromaticContact CD2-CE2 3.69Å; F224-F228 HydrophobicContact CD2-CE2 3.69Å; F224-F228 HydrophobicContact CE1-CB 4.09Å; F224-F228 AromaticContact CE1-CD2 3.97Å; F224-F228 HydrophobicContact CE1-CD2 3.97Å; F224-F228 HydrophobicContact CE1-CG 4.27Å; F224-F228 AromaticContact CE2-CD2 3.26Å; F224-F228 HydrophobicContact CE2-CD2 3.26Å; F224-F228 AromaticContact CE2-CE2 3.43Å; F224-F228 HydrophobicContact CE2-CE2 3.43Å; F224-F228 VanDerWaalsContact CE2-CE2 3.43Å; F224-F228 HydrophobicContact CE2-CG 4.14Å; F224-F228 HydrophobicContact CE2-CZ 4.42Å; F224-F228 AromaticContact CG-CD2 3.89Å; F224-F228 HydrophobicContact CG-CD2 3.89Å; F224-F228 HydrophobicContact CZ-CB 4.27Å; F224-F228 AromaticContact CZ-CD2 3.54Å; F224-F228 HydrophobicContact CZ-CD2 3.54Å; F224-F228 HydrophobicContact CZ-CE2 4.09Å; F224-F228 AromaticContact CZ-CG 3.98Å; F224-F228 HydrophobicContact CZ-CG 3.98Å; F224-F228 WeakPolarHBondContact O-CB 3.4Å; F224-F228 PolarHBondContact O-N 3.14Å; F224-F230 HydrophobicContact CE1-CD2 4.27Å; F224-F230 AromaticContact CE1-CE2 3.67Å; F224-F230 HydrophobicContact CE1-CE2 3.67Å; F224-F230 HydrophobicContact CE1-CZ 4.02Å; F224-F230 AromaticContact CZ-CE2 3.93Å; F224-F230 HydrophobicContact CZ-CE2 3.93Å; F224-F230 AromaticContact CZ-CZ 3.99Å; F224-F230 HydrophobicContact CZ-CZ 3.99Å
225	K	70.6	Confident	64.5	Low	116 Å²	116	82.2 Å²	82.2	50%	0.504	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-42.7	176.5	-172.4	-170	-165.8	174.1	0	112	R221 E222 K223 I227 G229 I231	R221-K225 WeakPolarHBondContact O-CB 3.37Å; R221-K225 PolarHBondContact O-N 3.15Å; E222-K225 PolarHBondContact O-N 3.19Å; K223-K225 VanDerWaalsContact C-N 3.31Å; K223-K225 PolarHBondContact O-N 3.49Å; K225-I227 PolarHBondContact O-N 3.05Å; K225-G229 WeakPolarHBondContact O-CA 3.5Å; K225-G229 PolarHBondContact O-N 3.47Å; K225-I231 HydrophobicContact CB-CD1 4.37Å; K225-I231 HydrophobicContact CB-CG1 4.04Å; K225-I231 HydrophobicContact CD-CD1 3.56Å; K225-I231 HydrophobicContact CD-CG1 4.1Å; K225-I231 HydrophobicContact CG-CD1 3.92Å; K225-I231 HydrophobicContact CG-CG1 3.87Å
226	Q	68.9	Low	65	Low	163 Å²	163	78.4 Å²	78.4	76%	0.762	38%	0.38	S	S	*	.	H	α-helix	trans	-60.9	-34	-177.8	-171.4	178.2	11.8	0	0	112.9	E222 K223 F224	E222-Q226 PolarHBondContact O-N 3.44Å; K223-Q226 WeakPolarHBondContact O-CB 3.3Å; K223-Q226 PolarHBondContact O-N 3.24Å; K223-Q226 VanDerWaalsContact O-N 3.09Å; F224-Q226 VanDerWaalsContact C-N 3.32Å; F224-Q226 PolarHBondContact O-N 3.32Å
227	I	65.5	Low	65.5	Low	43 Å²	43	81.9 Å²	81.9	22%	0.221	39%	0.394	C	S	.	.	H	α-helix	trans	-94	-39.8	-173.3	-65.8	145.6	0	0	0	111.9	I70 I144 I172 K223 F224 K225	I70-I227 HydrophobicContact CD1-CD1 3.89Å; I144-I227 HydrophobicContact CD1-CD1 2.95Å; I144-I227 HydrophobicContact CD1-CG1 4.04Å; I144-I227 HydrophobicContact CG1-CD1 4.39Å; I172-I227 HydrophobicContact CD1-CG2 4.42Å; K223-I227 VanDerWaalsContact O-CD1 3.25Å; K223-I227 WeakPolarHBondContact O-CD1 3.45Å; K223-I227 PolarHBondContact O-N 3.01Å; F224-I227 PolarHBondContact O-N 2.92Å; K225-I227 PolarHBondContact O-N 3.05Å
228	F	63.2	Low	65.7	Low	5 Å²	5	80.9 Å²	80.9	2%	0.022	39%	0.39	C	S	.	.	H	α-helix	trans	-94.9	-17.8	-173.1	-74.1	-64.3	0	0	0	112.6	V190 L211 F224 F230	V190-F228 HydrophobicContact CG1-CE1 4.39Å; V190-F228 HydrophobicContact CG2-CD1 4.19Å; V190-F228 HydrophobicContact CG2-CE1 3.67Å; L211-F228 HydrophobicContact CD1-CD1 4.31Å; L211-F228 HydrophobicContact CD1-CE1 3.74Å; L211-F228 HydrophobicContact CD1-CZ 3.91Å; F224-F228 HydrophobicContact CD1-CB 4.44Å; F224-F228 HydrophobicContact CD1-CD2 4.14Å; F224-F228 AromaticContact CD2-CD2 3.45Å; F224-F228 HydrophobicContact CD2-CD2 3.45Å; F224-F228 VanDerWaalsContact CD2-CD2 3.45Å; F224-F228 AromaticContact CD2-CE2 3.69Å; F224-F228 HydrophobicContact CD2-CE2 3.69Å; F224-F228 HydrophobicContact CE1-CB 4.09Å; F224-F228 AromaticContact CE1-CD2 3.97Å; F224-F228 HydrophobicContact CE1-CD2 3.97Å; F224-F228 HydrophobicContact CE1-CG 4.27Å; F224-F228 AromaticContact CE2-CD2 3.26Å; F224-F228 HydrophobicContact CE2-CD2 3.26Å; F224-F228 AromaticContact CE2-CE2 3.43Å; F224-F228 HydrophobicContact CE2-CE2 3.43Å; F224-F228 VanDerWaalsContact CE2-CE2 3.43Å; F224-F228 HydrophobicContact CE2-CG 4.14Å; F224-F228 HydrophobicContact CE2-CZ 4.42Å; F224-F228 AromaticContact CG-CD2 3.89Å; F224-F228 HydrophobicContact CG-CD2 3.89Å; F224-F228 HydrophobicContact CZ-CB 4.27Å; F224-F228 AromaticContact CZ-CD2 3.54Å; F224-F228 HydrophobicContact CZ-CD2 3.54Å; F224-F228 HydrophobicContact CZ-CE2 4.09Å; F224-F228 AromaticContact CZ-CG 3.98Å; F224-F228 HydrophobicContact CZ-CG 3.98Å; F224-F228 WeakPolarHBondContact O-CB 3.4Å; F224-F228 PolarHBondContact O-N 3.14Å; F228-F230 HydrophobicContact CB-CD1 3.95Å; F228-F230 HydrophobicContact CB-CE1 3.44Å; F228-F230 VanDerWaalsContact CB-CE1 3.44Å; F228-F230 HydrophobicContact CB-CZ 3.79Å; F228-F230 HydrophobicContact CD1-CE1 4.19Å; F228-F230 HydrophobicContact CD1-CZ 4.37Å; F228-F230 HydrophobicContact CG-CE1 4.12Å; F228-F230 HydrophobicContact CG-CZ 4.18Å; F228-F230 WeakPolarHBondContact O-CD1 3.5Å; F228-F230 WeakPolarHBondContact O-CE1 3.39Å; F228-F230 PolarHBondContact O-N 3.1Å
229	G	63.5	Low	65.7	Low	60 Å²	60	84.4 Å²	84.4	62%	0.619	41%	0.406	S	S	*	.	S	Bend	trans	74.9	-4.5	179	0	0	0	0	0	114.6	K225	K225-G229 WeakPolarHBondContact O-CA 3.5Å; K225-G229 PolarHBondContact O-N 3.47Å
230	F	64.8	Low	65.8	Low	41 Å²	41	82.6 Å²	82.6	18%	0.18	39%	0.394	C	S	.	.			trans	-130.3	155.1	178.7	65.3	-91	0	0	0	111.8	P175 V188 F224 F228 W232	P175-F230 HydrophobicContact CG-CD1 3.62Å; P175-F230 HydrophobicContact CG-CE1 3.27Å; P175-F230 HydrophobicContact CG-CZ 4.3Å; V188-F230 HydrophobicContact CB-CZ 4.05Å; V188-F230 HydrophobicContact CG1-CE1 3.85Å; V188-F230 HydrophobicContact CG1-CZ 3.65Å; V188-F230 HydrophobicContact CG2-CE1 4.24Å; V188-F230 HydrophobicContact CG2-CE2 3.86Å; V188-F230 HydrophobicContact CG2-CZ 3.67Å; F224-F230 HydrophobicContact CE1-CD2 4.27Å; F224-F230 AromaticContact CE1-CE2 3.67Å; F224-F230 HydrophobicContact CE1-CE2 3.67Å; F224-F230 HydrophobicContact CE1-CZ 4.02Å; F224-F230 AromaticContact CZ-CE2 3.93Å; F224-F230 HydrophobicContact CZ-CE2 3.93Å; F224-F230 AromaticContact CZ-CZ 3.99Å; F224-F230 HydrophobicContact CZ-CZ 3.99Å; F228-F230 HydrophobicContact CB-CD1 3.95Å; F228-F230 HydrophobicContact CB-CE1 3.44Å; F228-F230 VanDerWaalsContact CB-CE1 3.44Å; F228-F230 HydrophobicContact CB-CZ 3.79Å; F228-F230 HydrophobicContact CD1-CE1 4.19Å; F228-F230 HydrophobicContact CD1-CZ 4.37Å; F228-F230 HydrophobicContact CG-CE1 4.12Å; F228-F230 HydrophobicContact CG-CZ 4.18Å; F228-F230 WeakPolarHBondContact O-CD1 3.5Å; F228-F230 WeakPolarHBondContact O-CE1 3.39Å; F228-F230 PolarHBondContact O-N 3.1Å; F230-W232 AromaticContact CE2-CD1 3.77Å; F230-W232 AromaticContact CE2-NE1 3.45Å
231	I	62.5	Low	65.5	Low	99 Å²	99	86.6 Å²	86.6	51%	0.508	41%	0.411	S	S	.	.			trans	-116.1	135.5	169.7	-69.1	158.8	0	0	0	106.9	K225	K225-I231 HydrophobicContact CB-CD1 4.37Å; K225-I231 HydrophobicContact CB-CG1 4.04Å; K225-I231 HydrophobicContact CD-CD1 3.56Å; K225-I231 HydrophobicContact CD-CG1 4.1Å; K225-I231 HydrophobicContact CG-CD1 3.92Å; K225-I231 HydrophobicContact CG-CG1 3.87Å
232	W	53.3	Low	65.1	Low	121 Å²	121	80.5 Å²	80.5	46%	0.458	40%	0.396	S	S	.	.			trans	-81.8	0	166.3	-71	105.3	0	0	0	111.6	V188 N213 F230	V188-W232 HydrophobicContact CB-CZ2 4.24Å; V188-W232 HydrophobicContact CG2-CH2 4.04Å; V188-W232 HydrophobicContact CG2-CZ2 3.38Å; N213-W232 HydrophobicContact CB-CD2 3.96Å; N213-W232 HydrophobicContact CB-CE3 4.19Å; N213-W232 HydrophobicContact CB-CG 4.46Å; N213-W232 HydrophobicContact CB-CH2 4.27Å; N213-W232 HydrophobicContact CB-CZ2 4Å; N213-W232 HydrophobicContact CB-CZ3 4.34Å; N213-W232 WeakPolarHBondContact ND2-CB 3.1Å; N213-W232 VanDerWaalsContact ND2-CG 3.35Å; F230-W232 AromaticContact CE2-CD1 3.77Å; F230-W232 AromaticContact CE2-NE1 3.45Å

Retrieved 232 of 232 residues in 418.7 ms (Link to these results)

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