G4VB35_SCHMA Loading...

Lipoprotein

AlphaFold DB , UniProt , Accession G4VB35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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	38.8	Very low	42.4	Very low	242 Å²	242	133.5 Å²	133.5	100%	1.192	72%	0.723	S	S	*	*				0	140.3	0	-82.8	176.2	172.5	0	0	108.5
2	P	39.9	Very low	42.7	Very low	98 Å²	98	132.2 Å²	132.2	64%	0.636	71%	0.712	S	S	*	*				-121.2	179.9	-130	22.2	0.5	0	0	0	113
3	Y	40.6	Very low	42.6	Very low	206 Å²	206	130.2 Å²	130.2	81%	0.808	70%	0.7	S	S	*	*			trans	74.9	132.5	168.6	-59.4	-80.5	0	0	0	114.8
4	K	44.6	Very low	42.5	Very low	170 Å²	170	125.9 Å²	125.9	74%	0.739	69%	0.685	S	S	*	*			cis	-159.1	123.6	20.6	-119.6	159	-173.5	-177.1	0	109.9
5	I	41.2	Very low	42.4	Very low	168 Å²	168	124.5 Å²	124.5	86%	0.862	68%	0.681	S	S	*	*			trans	-64.6	125.8	157.6	-66.2	157.4	0	0	0	106.7
6	N	48.7	Very low	42.3	Very low	126 Å²	126	123.9 Å²	123.9	67%	0.674	68%	0.677	S	S	*	*			trans	-157.7	107.3	163.6	-100.5	-14.4	0	0	0	111
7	N	45.5	Very low	42	Very low	137 Å²	137	123.1 Å²	123.1	73%	0.733	67%	0.671	S	S	*	*	S	Bend	trans	54.4	78.1	135.6	-61.8	-13.9	0	0	0	118.7
8	A	40.9	Very low	41.8	Very low	63 Å²	63	123.4 Å²	123.4	52%	0.521	67%	0.67	S	S	.	*	S	Bend	trans	-148.6	-4.9	142.2	0	0	0	0	0	113.9	A10 S11	A8-A10 PolarHBondContact O-N 3.05Å; A8-S11 PolarHBondContact O-N 2.74Å
9	V	44.7	Very low	41.7	Very low	118 Å²	118	121.4 Å²	121.4	72%	0.715	67%	0.666	S	S	*	*	H	α-helix	trans	-69.4	-15.8	171.6	-173.5	0	0	0	0	111.8
10	A	40.6	Very low	41.7	Very low	65 Å²	65	121.7 Å²	121.7	54%	0.537	67%	0.665	S	S	.	*	H	α-helix	trans	-80.5	-12.4	168.9	0	0	0	0	0	114.2	A8 S14	A8-A10 PolarHBondContact O-N 3.05Å; A10-S14 WeakPolarHBondContact O-CB 3.25Å; A10-S14 PolarHBondContact O-OG 3.4Å
11	S	41	Very low	41.5	Very low	76 Å²	76	122.9 Å²	122.9	53%	0.531	67%	0.671	S	S	.	*	H	α-helix	trans	-90.3	-19.1	176.4	-66.3	0	0	0	0	113	A8 V15	A8-S11 PolarHBondContact O-N 2.74Å; S11-V15 WeakPolarHBondContact O-CG2 3.36Å; S11-V15 PolarHBondContact O-N 3.46Å
12	I	45.3	Very low	41.4	Very low	117 Å²	117	115 Å²	115	60%	0.6	64%	0.644	S	S	*	*	H	α-helix	trans	-86.7	-26.5	-179.6	-57.5	178	0	0	0	111	L16	I12-L16 VanDerWaalsContact O-CD1 3.32Å; I12-L16 WeakPolarHBondContact O-CD1 3.34Å
13	I	42.1	Very low	41.4	Very low	107 Å²	107	114.1 Å²	114.1	55%	0.549	65%	0.645	S	S	.	*	H	α-helix	trans	-88.3	-25.9	176.9	-61.6	171.8	0	0	0	111.7	L16 L17	I13-L16 PolarHBondContact O-N 3.33Å; I13-L17 HydrophobicContact CG2-CD1 4.15Å; I13-L17 PolarHBondContact O-N 3.38Å
14	S	41.4	Very low	41.1	Very low	70 Å²	70	115.2 Å²	115.2	49%	0.49	65%	0.649	S	S	.	*	H	α-helix	trans	-76	-23.9	172.1	-53.1	0	0	0	0	113.2	A10 I18	A10-S14 WeakPolarHBondContact O-CB 3.25Å; A10-S14 PolarHBondContact O-OG 3.4Å; S14-I18 WeakPolarHBondContact O-CG1 3.08Å
15	V	41.4	Very low	40.6	Very low	105 Å²	105	113.6 Å²	113.6	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-80.4	-24.3	174.1	170.9	0	0	0	0	111.7	S11 S19	S11-V15 WeakPolarHBondContact O-CG2 3.36Å; S11-V15 PolarHBondContact O-N 3.46Å; V15-S19 PolarHBondContact O-OG 3.22Å
16	L	39.9	Very low	40.3	Very low	115 Å²	115	112 Å²	112	60%	0.602	65%	0.645	S	S	*	*	H	α-helix	trans	-86.5	-17.7	175.5	-96.7	119.8	0	0	0	114.5	I12 I13 S19	I12-L16 VanDerWaalsContact O-CD1 3.32Å; I12-L16 WeakPolarHBondContact O-CD1 3.34Å; I13-L16 PolarHBondContact O-N 3.33Å; L16-S19 WeakPolarHBondContact CA-OG 3.32Å; L16-S19 PolarHBondContact O-OG 2.73Å
17	L	37.2	Very low	39.5	Very low	110 Å²	110	111.7 Å²	111.7	58%	0.576	64%	0.643	S	S	*	*	S	Bend	trans	-90.9	-9	175.9	-86.9	154	0	0	0	114.4	I13 S19	I13-L17 HydrophobicContact CG2-CD1 4.15Å; I13-L17 PolarHBondContact O-N 3.38Å; L17-S19 VanDerWaalsContact C-N 3.35Å
18	I	39.2	Very low	38.8	Very low	129 Å²	129	108.9 Å²	108.9	66%	0.662	63%	0.634	S	S	*	*	S	Bend	trans	-80.2	-21.9	167.2	-63.4	169	0	0	0	110.7	S14 I20	S14-I18 WeakPolarHBondContact O-CG1 3.08Å; I18-I20 PolarHBondContact O-N 2.75Å
19	S	40	Very low	38.3	Very low	85 Å²	85	113.7 Å²	113.7	59%	0.594	65%	0.651	S	S	*	*	S	Bend	trans	-71.8	-2.9	179.9	5.5	0	0	0	0	115.8	V15 L16 L17	V15-S19 PolarHBondContact O-OG 3.22Å; L16-S19 WeakPolarHBondContact CA-OG 3.32Å; L16-S19 PolarHBondContact O-OG 2.73Å; L17-S19 VanDerWaalsContact C-N 3.35Å
20	I	41.8	Very low	37.7	Very low	127 Å²	127	113.8 Å²	113.8	65%	0.651	65%	0.652	S	S	*	*	S	Bend	trans	-132.2	-8.1	-171.5	-51.1	178.1	0	0	0	113.5	I18	I18-I20 PolarHBondContact O-N 2.75Å
21	N	37.6	Very low	37.1	Very low	147 Å²	147	114.8 Å²	114.8	79%	0.786	66%	0.655	S	S	*	*	S	Bend	trans	-113.8	15.8	-177.7	-88.3	-11.1	0	0	0	115.9
22	A	36.9	Very low	36.8	Very low	76 Å²	76	118.4 Å²	118.4	63%	0.628	67%	0.667	S	S	*	*			trans	-112.2	17.9	168.3	0	0	0	0	0	113.2	Y24	A22-Y24 PolarHBondContact O-N 3.23Å
23	A	38.1	Very low	36.1	Very low	79 Å²	79	118 Å²	118	65%	0.653	67%	0.67	S	S	*	*	S	Bend	trans	-71	118.8	155.5	0	0	0	0	0	106.7
24	Y	35.3	Very low	35.6	Very low	229 Å²	229	117 Å²	117	90%	0.898	67%	0.672	S	S	*	*			trans	87.6	68.5	-170.2	-65	-93	0	0	0	116.4	A22	A22-Y24 PolarHBondContact O-N 3.23Å
25	Q	34.8	Very low	35.1	Very low	136 Å²	136	121.3 Å²	121.3	64%	0.636	69%	0.685	S	S	*	*			trans	-133.9	129.2	138.5	-85.9	-174.7	-59.6	0	0	109.2	L27	Q25-L27 VanDerWaalsContact C-N 3.26Å; Q25-L27 HydrophobicContact CB-CD1 3.53Å; Q25-L27 HydrophobicContact CB-CG 3.92Å; Q25-L27 HydrophobicContact CG-CD1 4.22Å; Q25-L27 PolarHBondContact O-N 3.28Å
26	P	33.9	Very low	35.4	Very low	136 Å²	136	123.3 Å²	123.3	88%	0.883	69%	0.69	S	S	*	*			trans	-75.2	85.3	168.3	31.7	-28.5	0	0	0	107.1
27	L	31.3	Very low	35.8	Very low	118 Å²	118	124.8 Å²	124.8	62%	0.618	69%	0.694	S	S	*	*			trans	-108.6	87.3	178.2	-81.7	158.2	0	0	0	106.9	Q25	Q25-L27 VanDerWaalsContact C-N 3.26Å; Q25-L27 HydrophobicContact CB-CD1 3.53Å; Q25-L27 HydrophobicContact CB-CG 3.92Å; Q25-L27 HydrophobicContact CG-CD1 4.22Å; Q25-L27 PolarHBondContact O-N 3.28Å
28	S	31.6	Very low	37.1	Very low	79 Å²	79	124.9 Å²	124.9	55%	0.552	70%	0.701	S	S	*	*				91.6	99.5	88.1	62.1	0	0	0	0	108.9	T30	S28-T30 PolarHBondContact O-N 3.47Å; S28-T30 PolarHBondContact O-OG1 2.85Å
29	D	29.9	Very low	39.1	Very low	163 Å²	163	122.2 Å²	122.2	87%	0.872	69%	0.685	S	S	*	*			trans	4	85.4	147.2	-65	-34.8	0	0	0	113.9
30	T	31.6	Very low	41.5	Very low	120 Å²	120	122.1 Å²	122.1	74%	0.736	68%	0.678	S	S	*	*			trans	-112	69.8	150	-24.4	0	0	0	0	105.6	S28 I32	S28-T30 PolarHBondContact O-N 3.47Å; S28-T30 PolarHBondContact O-OG1 2.85Å; T30-I32 PolarHBondContact O-N 3.15Å
31	S	29.8	Very low	44	Very low	86 Å²	86	116.5 Å²	116.5	60%	0.601	65%	0.648	S	S	*	*			trans	-54.5	102.3	146.4	45.7	0	0	0	0	105.1	V33	S31-V33 PolarHBondContact O-N 2.81Å
32	I	33.2	Very low	46.7	Very low	153 Å²	153	112.2 Å²	112.2	79%	0.785	63%	0.628	S	S	*	*			trans	-64.6	78.9	151.4	-58.9	171	0	0	0	103.3	T30 S34	T30-I32 PolarHBondContact O-N 3.15Å; I32-S34 PolarHBondContact O-N 2.89Å
33	V	31.9	Very low	49.4	Very low	109 Å²	109	111 Å²	111	66%	0.661	61%	0.61	S	S	*	*			trans	-63.9	91.3	154.3	-177.1	0	0	0	0	101.8	S31 E35	S31-V33 PolarHBondContact O-N 2.81Å; V33-E35 PolarHBondContact O-N 3.04Å
34	S	30.8	Very low	52.1	Low	85 Å²	85	111.5 Å²	111.5	59%	0.594	60%	0.598	S	S	*	*			trans	-52.8	106.6	153.3	56.5	0	0	0	0	103.5	I32 I36	I32-S34 PolarHBondContact O-N 2.89Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 3.12Å
35	E	30.9	Very low	54.8	Low	161 Å²	161	103.5 Å²	103.5	75%	0.752	57%	0.573	S	S	*	*			trans	-47.9	107.5	166	-99	-179.4	160.5	0	0	105	V33 Q37	V33-E35 PolarHBondContact O-N 3.04Å; E35-Q37 PolarHBondContact O-N 3.13Å
36	I	47.5	Very low	57.4	Low	147 Å²	147	97.1 Å²	97.1	75%	0.754	54%	0.543	S	S	*	.			trans	-63.5	100	174.6	-62.9	172.9	0	0	0	102.4	S34 P38	S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 3.12Å; I36-P38 VanDerWaalsContact O-N 3.07Å
37	Q	48	Very low	60	Low	146 Å²	146	94.5 Å²	94.5	68%	0.682	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-48.4	123.6	173.5	-76.5	-69.5	-37.1	0	0	105.6	E35 K39	E35-Q37 PolarHBondContact O-N 3.13Å; Q37-K39 PolarHBondContact O-N 3.03Å
38	P	65.2	Low	62.8	Low	112 Å²	112	90.6 Å²	90.6	73%	0.727	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-55.8	125.1	-178.5	20.9	-29.8	0	0	0	106.7	I36 D40	I36-P38 VanDerWaalsContact O-N 3.07Å; P38-D40 PolarHBondContact O-N 3.47Å
39	K	81.1	Confident	65.7	Low	72 Å²	72	87.5 Å²	87.5	31%	0.313	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-48.1	133.5	177.1	-73.1	174.1	174.1	162.9	0	108.1	Q37 F41 N101 E173	Q37-K39 PolarHBondContact O-N 3.03Å; K39-F41 HydrophobicContact CB-CD1 4.17Å; K39-F41 HydrophobicContact CB-CE1 4.09Å; K39-F41 HydrophobicContact CB-CZ 4.47Å; K39-F41 HydrophobicContact CD-CE1 4.24Å; K39-F41 HydrophobicContact CD-CE2 4.28Å; K39-F41 HydrophobicContact CD-CZ 3.88Å; K39-F41 HydrophobicContact CG-CE1 4.19Å; K39-F41 HydrophobicContact CG-CZ 4.33Å; K39-F41 PolarHBondContact O-N 3.49Å; K39-F41 VanDerWaalsContact O-N 3.1Å; K39-N101 PolarHBondContact O-ND2 3.34Å; K39-E173 IonicContact NZ-OE1 3.86Å; K39-E173 PolarHBondContact NZ-OE1 3.3Å; K39-E173 IonicContact NZ-OE2 2.79Å; K39-E173 PolarHBondContact NZ-OE2 2.97Å
40	D	89.8	Confident	68.7	Low	84 Å²	84	83.7 Å²	83.7	45%	0.449	47%	0.469	S	S	.	.	S	Bend	trans	-76.7	12.1	177.1	74.2	-33.1	0	0	0	111.8	P38 R100 N101	P38-D40 PolarHBondContact O-N 3.47Å; D40-R100 CarbonylContact O-C 3.45Å; D40-R100 IonicContact OD2-NE 3.87Å; D40-N101 WeakPolarHBondContact O-CB 3.16Å; D40-N101 PolarHBondContact O-N 2.9Å
41	F	94.1	Very high	71.6	Confident	8 Å²	8	79.9 Å²	79.9	4%	0.035	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164	176	65.3	-87	0	0	0	112.4	K39 I43 A98 L99 N101 V109 I170 E173	K39-F41 HydrophobicContact CB-CD1 4.17Å; K39-F41 HydrophobicContact CB-CE1 4.09Å; K39-F41 HydrophobicContact CB-CZ 4.47Å; K39-F41 HydrophobicContact CD-CE1 4.24Å; K39-F41 HydrophobicContact CD-CE2 4.28Å; K39-F41 HydrophobicContact CD-CZ 3.88Å; K39-F41 HydrophobicContact CG-CE1 4.19Å; K39-F41 HydrophobicContact CG-CZ 4.33Å; K39-F41 PolarHBondContact O-N 3.49Å; K39-F41 VanDerWaalsContact O-N 3.1Å; F41-I43 HydrophobicContact CD2-CD1 3.95Å; F41-I43 HydrophobicContact CE2-CD1 3.8Å; F41-I43 HydrophobicContact CE2-CG1 4.3Å; F41-A98 HydrophobicContact CD2-CB 3.99Å; F41-L99 CarbonylContact C-O 3.33Å; F41-L99 WeakPolarHBondContact CA-O 3.38Å; F41-L99 VanDerWaalsContact CB-O 3.26Å; F41-L99 WeakPolarHBondContact CB-O 3.48Å; F41-N101 PolarHBondContact N-ND2 3Å; F41-N101 PolarHBondContact O-ND2 3.45Å; F41-V109 HydrophobicContact CB-CG2 4.04Å; F41-I170 HydrophobicContact CD1-CD1 4.48Å; F41-I170 HydrophobicContact CD1-CG1 3.92Å; F41-I170 HydrophobicContact CE1-CG1 3.72Å; F41-I170 HydrophobicContact CE2-CG1 4.47Å; F41-I170 HydrophobicContact CG-CG1 4.39Å; F41-I170 HydrophobicContact CZ-CG1 3.99Å; F41-E173 HydrophobicContact CE2-CB 4.03Å; F41-E173 HydrophobicContact CE2-CG 4.34Å; F41-E173 HydrophobicContact CZ-CB 4.05Å; F41-E173 HydrophobicContact CZ-CG 3.96Å
42	T	94.3	Very high	74.7	Confident	58 Å²	58	80.4 Å²	80.4	36%	0.356	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.6	171.6	46.4	0	0	0	0	110.4	A98 L99 N101	T42-A98 WeakPolarHBondContact O-CA 3.33Å; T42-L99 PolarHBondContact N-O 3.42Å; T42-L99 PolarHBondContact O-N 3.47Å; T42-N101 WeakPolarHBondContact CG2-OD1 3.16Å; T42-N101 PolarHBondContact N-OD1 3.5Å; T42-N101 PolarHBondContact OG1-OD1 3.01Å
43	I	94.9	Very high	77.6	Confident	50 Å²	50	76.6 Å²	76.6	26%	0.256	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.6	174.3	-56	-60.9	0	0	0	109.8	F41 P96 I97 A98 L174 E177	F41-I43 HydrophobicContact CD2-CD1 3.95Å; F41-I43 HydrophobicContact CE2-CD1 3.8Å; F41-I43 HydrophobicContact CE2-CG1 4.3Å; I43-P96 HydrophobicContact CG2-CB 3.61Å; I43-I97 CarbonylContact C-O 3.59Å; I43-I97 VanDerWaalsContact CA-O 3.29Å; I43-I97 WeakPolarHBondContact CA-O 3.2Å; I43-A98 HydrophobicContact CD1-CB 3.63Å; I43-L174 HydrophobicContact CD1-CD2 4.19Å; I43-E177 HydrophobicContact CG2-CB 4.13Å; I43-E177 HydrophobicContact CG2-CG 3.78Å
44	K	94.1	Very high	80.6	Confident	89 Å²	89	71.4 Å²	71.4	39%	0.387	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	175.9	177.3	-61.5	-164.9	-172.2	173.1	0	111.1	S48 P96 I97 L99	K44-S48 VanDerWaalsContact CB-OG 3.23Å; K44-S48 WeakPolarHBondContact CB-OG 3.43Å; K44-P96 CarbonylContact O-C 3.58Å; K44-P96 WeakPolarHBondContact O-CA 3.42Å; K44-I97 HydrophobicContact CB-CG1 4.04Å; K44-I97 PolarHBondContact N-O 2.93Å; K44-I97 PolarHBondContact O-N 3.27Å; K44-L99 HydrophobicContact CD-CD1 3.74Å; K44-L99 HydrophobicContact CG-CD1 4.33Å
45	T	91.5	Very high	83.6	Confident	61 Å²	61	67.4 Å²	67.4	37%	0.374	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	155.4	172.7	57.9	0	0	0	0	111	T47 S48 I97	T45-T47 PolarHBondContact O-N 3.29Å; T45-T47 PolarHBondContact OG1-OG1 3.3Å; T45-S48 WeakPolarHBondContact O-CB 3.27Å; T45-S48 PolarHBondContact O-N 3.48Å; T45-S48 PolarHBondContact O-OG 3.31Å; T45-S48 VanDerWaalsContact O-OG 3.07Å; T45-I97 WeakPolarHBondContact O-CD1 3.23Å
46	L	90.1	Very high	86.7	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-54.2	-20.6	176.9	63.3	132.4	0	0	0	115.2	S48 L54 W87 Q92 S95 I97	L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 2.86Å; L46-L54 HydrophobicContact CB-CD2 4.04Å; L46-W87 HydrophobicContact CD1-CD2 4.42Å; L46-W87 VanDerWaalsContact CD1-CE2 3.44Å; L46-W87 HydrophobicContact CD1-CZ2 3.64Å; L46-Q92 HydrophobicContact CD1-CG 4.19Å; L46-Q92 HydrophobicContact CD2-CB 3.78Å; L46-Q92 HydrophobicContact CD2-CG 4.06Å; L46-Q92 WeakPolarHBondContact CD2-O 3.45Å; L46-S95 PolarHBondContact N-O 2.79Å; L46-I97 HydrophobicContact CB-CG2 4.42Å
47	T	88.9	Confident	89	Confident	82 Å²	82	57.7 Å²	57.7	50%	0.503	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-80.9	-7.3	-179	53.4	0	0	0	0	112.7	T45 V49	T45-T47 PolarHBondContact O-N 3.29Å; T45-T47 PolarHBondContact OG1-OG1 3.3Å; T47-V49 PolarHBondContact O-N 3.47Å
48	S	90.5	Very high	91.2	Very high	36 Å²	36	50.8 Å²	50.8	25%	0.252	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-81.3	2.4	179.5	76.5	0	0	0	0	113.7	K44 T45 L46 I97	K44-S48 VanDerWaalsContact CB-OG 3.23Å; K44-S48 WeakPolarHBondContact CB-OG 3.43Å; T45-S48 WeakPolarHBondContact O-CB 3.27Å; T45-S48 PolarHBondContact O-N 3.48Å; T45-S48 PolarHBondContact O-OG 3.31Å; T45-S48 VanDerWaalsContact O-OG 3.07Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 2.86Å; S48-I97 WeakPolarHBondContact OG-CD1 3.29Å
49	V	90.9	Very high	92.6	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	24%	0.243	C	C	.	.	S	Bend	trans	-136.9	153.4	177.3	-62	0	0	0	0	110.5	T47 L51 L54 I97 L99 D106 I108	T47-V49 PolarHBondContact O-N 3.47Å; V49-L51 PolarHBondContact O-N 3.06Å; V49-L54 HydrophobicContact CG2-CB 3.97Å; V49-L54 HydrophobicContact CG2-CD2 4.45Å; V49-I97 HydrophobicContact CB-CD1 4.16Å; V49-I97 HydrophobicContact CG1-CD1 3.42Å; V49-I97 VanDerWaalsContact CG1-CD1 3.42Å; V49-I97 HydrophobicContact CG2-CD1 3.68Å; V49-L99 HydrophobicContact CG1-CD1 4.2Å; V49-L99 HydrophobicContact CG1-CD2 3.7Å; V49-D106 HydrophobicContact CG1-CB 4.37Å; V49-I108 HydrophobicContact CB-CD1 4.38Å; V49-I108 HydrophobicContact CG1-CD1 4.43Å; V49-I108 HydrophobicContact CG1-CG1 4.33Å; V49-I108 HydrophobicContact CG2-CD1 4.05Å
50	P	92.8	Very high	93.2	Very high	82 Å²	82	46.4 Å²	46.4	53%	0.532	25%	0.251	S	S	.	.			trans	-58.8	133.8	173.2	-24.1	34.5	0	0	0	111.5	L52 R53 L54	P50-L52 PolarHBondContact O-N 3.45Å; P50-R53 HydrophobicContact CB-CB 4.38Å; P50-R53 WeakPolarHBondContact O-CB 3.44Å; P50-R53 PolarHBondContact O-N 2.77Å; P50-L54 PolarHBondContact O-N 2.82Å
51	L	94	Very high	93.4	Very high	40 Å²	40	43 Å²	43	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-45.1	-57.4	-179.3	168.6	55.3	0	0	0	112.8	V49 R53 L54 V55 Y84 W87	V49-L51 PolarHBondContact O-N 3.06Å; L51-R53 PolarHBondContact O-N 3.47Å; L51-L54 WeakPolarHBondContact O-CB 3.49Å; L51-L54 PolarHBondContact O-N 3.34Å; L51-V55 HydrophobicContact CD1-CG2 3.8Å; L51-V55 HydrophobicContact CG-CG2 4.45Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.02Å; L51-Y84 HydrophobicContact CD2-CD2 4.23Å; L51-Y84 HydrophobicContact CD2-CE2 3.59Å; L51-Y84 HydrophobicContact CG-CD2 4.43Å; L51-Y84 HydrophobicContact CG-CE2 4.2Å; L51-W87 HydrophobicContact CD1-CB 4.12Å; L51-W87 HydrophobicContact CD1-CD2 3.14Å; L51-W87 VanDerWaalsContact CD1-CE2 3.47Å; L51-W87 HydrophobicContact CD1-CE3 3.35Å; L51-W87 HydrophobicContact CD1-CG 3.47Å; L51-W87 VanDerWaalsContact CD1-CG 3.47Å; L51-W87 HydrophobicContact CD1-CH2 4.14Å; L51-W87 HydrophobicContact CD1-CZ2 3.96Å; L51-W87 HydrophobicContact CD1-CZ3 3.86Å; L51-W87 HydrophobicContact CD2-CE3 3.98Å; L51-W87 HydrophobicContact CD2-CH2 4.29Å; L51-W87 HydrophobicContact CD2-CZ3 3.83Å; L51-W87 HydrophobicContact CG-CD2 4.41Å; L51-W87 HydrophobicContact CG-CE3 4.29Å; L51-W87 HydrophobicContact CG-CZ3 4.4Å
52	L	94.3	Very high	93.3	Very high	97 Å²	97	43.1 Å²	43.1	51%	0.508	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-35.3	-174.4	-62.8	-179.1	0	0	0	111.5	P50 L54 V55 D56 Y84	P50-L52 PolarHBondContact O-N 3.45Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.34Å; L52-V55 PolarHBondContact O-N 3.06Å; L52-D56 WeakPolarHBondContact O-CB 3.44Å; L52-D56 PolarHBondContact O-N 2.83Å; L52-D56 VanDerWaalsContact O-OD1 3.07Å; L52-Y84 HydrophobicContact CD2-CD2 4.12Å; L52-Y84 HydrophobicContact CD2-CE2 4.05Å
53	R	93.6	Very high	93.1	Very high	73 Å²	73	43 Å²	43	28%	0.275	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-33.1	178.3	-152.4	-171.4	68.9	-170.2	-3	112.6	P50 L51 Y57 D106	P50-R53 HydrophobicContact CB-CB 4.38Å; P50-R53 WeakPolarHBondContact O-CB 3.44Å; P50-R53 PolarHBondContact O-N 2.77Å; L51-R53 PolarHBondContact O-N 3.47Å; R53-Y57 WeakPolarHBondContact O-CB 3.26Å; R53-Y57 PolarHBondContact O-N 2.7Å; R53-Y57 VanDerWaalsContact O-N 3.09Å; R53-D106 PolarHBondContact NH1-O 2.87Å; R53-D106 VanDerWaalsContact NH1-O 3.13Å; R53-D106 PolarHBondContact NH2-O 3.42Å
54	L	94.4	Very high	92.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-70.9	-41.6	173.2	178.6	60.2	0	0	0	111.4	L46 V49 P50 L51 L52 Y57 L58 I97 I108 A111 L113	L46-L54 HydrophobicContact CB-CD2 4.04Å; V49-L54 HydrophobicContact CG2-CB 3.97Å; V49-L54 HydrophobicContact CG2-CD2 4.45Å; P50-L54 PolarHBondContact O-N 2.82Å; L51-L54 WeakPolarHBondContact O-CB 3.49Å; L51-L54 PolarHBondContact O-N 3.34Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.34Å; L54-Y57 PolarHBondContact O-N 3.06Å; L54-L58 HydrophobicContact CD1-CD1 4.1Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.15Å; L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 PolarHBondContact O-N 3.34Å; L54-I97 HydrophobicContact CD1-CG2 4.02Å; L54-I97 HydrophobicContact CD2-CG2 4.34Å; L54-I108 HydrophobicContact CB-CD1 4.26Å; L54-I108 HydrophobicContact CD1-CD1 4.21Å; L54-A111 HydrophobicContact CD1-CB 3.49Å; L54-A111 VanDerWaalsContact CD1-CB 3.49Å; L54-L113 HydrophobicContact CD2-CD2 4.37Å
55	V	95.4	Very high	92.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-43.6	175.9	178.2	0	0	0	0	110.5	L51 L52 Y57 L58 S59 Y80 I83 Y84	L51-V55 HydrophobicContact CD1-CG2 3.8Å; L51-V55 HydrophobicContact CG-CG2 4.45Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.02Å; L52-V55 PolarHBondContact O-N 3.06Å; V55-Y57 PolarHBondContact O-N 3.29Å; V55-L58 PolarHBondContact O-N 3.18Å; V55-S59 WeakPolarHBondContact O-CB 3.36Å; V55-S59 PolarHBondContact O-N 3.26Å; V55-S59 PolarHBondContact O-OG 3.23Å; V55-Y80 HydrophobicContact CB-CE2 4.26Å; V55-Y80 HydrophobicContact CG1-CD1 4.05Å; V55-Y80 HydrophobicContact CG1-CD2 3.84Å; V55-Y80 HydrophobicContact CG1-CE1 3.78Å; V55-Y80 HydrophobicContact CG1-CE2 3.55Å; V55-Y80 HydrophobicContact CG1-CG 4.08Å; V55-I83 HydrophobicContact CB-CG2 4.45Å; V55-I83 HydrophobicContact CG1-CB 4.29Å; V55-I83 HydrophobicContact CG1-CG2 4.03Å; V55-I83 HydrophobicContact CG2-CG2 4.46Å; V55-Y84 HydrophobicContact CG2-CD2 4.31Å
56	D	95.1	Very high	91.8	Very high	78 Å²	78	44 Å²	44	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-56.6	-50.6	174.2	-63.4	-12.6	0	0	0	110.6	L52 S59 N60 Y80	L52-D56 WeakPolarHBondContact O-CB 3.44Å; L52-D56 PolarHBondContact O-N 2.83Å; L52-D56 VanDerWaalsContact O-OD1 3.07Å; D56-S59 PolarHBondContact O-N 3.28Å; D56-N60 WeakPolarHBondContact O-CB 3.18Å; D56-N60 PolarHBondContact O-N 2.8Å; D56-Y80 WeakPolarHBondContact OD1-CE2 3.25Å; D56-Y80 VanDerWaalsContact OD1-CZ 3.24Å; D56-Y80 PolarHBondContact OD1-OH 2.82Å
57	Y	95.4	Very high	91.3	Very high	25 Å²	25	45.8 Å²	45.8	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-52.7	179.2	171.1	-93	0	0	0	111.8	R53 L54 V55 S59 N60 Q61 I108 V109 G110 A111 G164	R53-Y57 WeakPolarHBondContact O-CB 3.26Å; R53-Y57 PolarHBondContact O-N 2.7Å; R53-Y57 VanDerWaalsContact O-N 3.09Å; L54-Y57 PolarHBondContact O-N 3.06Å; V55-Y57 PolarHBondContact O-N 3.29Å; Y57-S59 PolarHBondContact O-N 3.24Å; Y57-N60 PolarHBondContact O-N 3.09Å; Y57-Q61 HydrophobicContact CD1-CG 4.19Å; Y57-Q61 HydrophobicContact CD2-CG 4.16Å; Y57-Q61 HydrophobicContact CE1-CG 3.74Å; Y57-Q61 HydrophobicContact CE2-CG 3.71Å; Y57-Q61 VanDerWaalsContact CE2-NE2 3.35Å; Y57-Q61 HydrophobicContact CG-CG 4.37Å; Y57-Q61 VanDerWaalsContact CZ-CG 3.47Å; Y57-Q61 VanDerWaalsContact O-CG 3.26Å; Y57-Q61 WeakPolarHBondContact O-CG 3.39Å; Y57-Q61 PolarHBondContact O-N 2.85Å; Y57-I108 HydrophobicContact CD1-CB 4.35Å; Y57-I108 HydrophobicContact CD1-CG2 3.52Å; Y57-I108 HydrophobicContact CD2-CB 3.85Å; Y57-I108 HydrophobicContact CD2-CG2 3.82Å; Y57-I108 WeakPolarHBondContact CD2-O 3.01Å; Y57-I108 HydrophobicContact CE1-CG2 3.72Å; Y57-I108 HydrophobicContact CE2-CB 4.29Å; Y57-I108 HydrophobicContact CE2-CG2 4Å; Y57-I108 WeakPolarHBondContact CE2-O 2.96Å; Y57-I108 HydrophobicContact CG-CB 3.9Å; Y57-I108 HydrophobicContact CG-CG2 3.59Å; Y57-V109 PolarHBondContact OH-O 3.39Å; Y57-V109 VanDerWaalsContact OH-O 3.09Å; Y57-G110 VanDerWaalsContact OH-CA 3.29Å; Y57-G110 WeakPolarHBondContact OH-CA 2.99Å; Y57-G110 PolarHBondContact OH-N 2.9Å; Y57-A111 HydrophobicContact CD1-CB 4.05Å; Y57-A111 HydrophobicContact CE1-CB 3.88Å; Y57-G164 PolarHBondContact OH-O 3.46Å
58	L	95.6	Very high	90.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-41.8	-178.9	-77.3	171.4	0	0	0	111.5	L54 V55 N60 Q61 T62 I83 A111 L113	L54-L58 HydrophobicContact CD1-CD1 4.1Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.15Å; L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 PolarHBondContact O-N 3.34Å; V55-L58 PolarHBondContact O-N 3.18Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-N60 PolarHBondContact O-N 3.17Å; L58-Q61 PolarHBondContact O-N 2.67Å; L58-T62 VanDerWaalsContact O-CB 3.25Å; L58-T62 WeakPolarHBondContact O-CB 3.34Å; L58-T62 PolarHBondContact O-N 3.03Å; L58-T62 PolarHBondContact O-OG1 2.9Å; L58-I83 HydrophobicContact CB-CD1 4.28Å; L58-I83 HydrophobicContact CB-CG2 3.89Å; L58-I83 HydrophobicContact CD1-CG2 4.18Å; L58-A111 HydrophobicContact CD1-CB 4.37Å; L58-A111 HydrophobicContact CD2-CB 3.75Å; L58-A111 HydrophobicContact CG-CB 4.07Å; L58-L113 HydrophobicContact CD1-CD1 3.51Å; L58-L113 HydrophobicContact CD1-CD2 4.14Å; L58-L113 HydrophobicContact CD1-CG 3.59Å
59	S	94.4	Very high	89.9	Confident	5 Å²	5	41.5 Å²	41.5	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-45.8	176.7	-58.8	0	0	0	0	111.4	V55 D56 Y57 Q63 Y80	V55-S59 WeakPolarHBondContact O-CB 3.36Å; V55-S59 PolarHBondContact O-N 3.26Å; V55-S59 PolarHBondContact O-OG 3.23Å; D56-S59 PolarHBondContact O-N 3.28Å; Y57-S59 PolarHBondContact O-N 3.24Å; S59-Q63 WeakPolarHBondContact O-CB 3.43Å; S59-Q63 VanDerWaalsContact O-CG 3.25Å; S59-Q63 WeakPolarHBondContact O-CG 3.4Å; S59-Q63 PolarHBondContact O-N 3.21Å; S59-Y80 WeakPolarHBondContact OG-CD2 3.44Å
60	N	93.9	Very high	89.2	Confident	88 Å²	88	48.5 Å²	48.5	47%	0.471	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-46.7	177.5	-177.3	50.7	0	0	0	112.1	D56 Y57 L58 T62 Q63 T64	D56-N60 WeakPolarHBondContact O-CB 3.18Å; D56-N60 PolarHBondContact O-N 2.8Å; Y57-N60 PolarHBondContact O-N 3.09Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-N60 PolarHBondContact O-N 3.17Å; N60-T62 VanDerWaalsContact C-N 3.34Å; N60-T62 PolarHBondContact O-N 3.1Å; N60-Q63 PolarHBondContact O-N 2.99Å; N60-T64 WeakPolarHBondContact O-CB 3.42Å; N60-T64 VanDerWaalsContact O-CG2 3.31Å; N60-T64 WeakPolarHBondContact O-CG2 3.01Å; N60-T64 PolarHBondContact O-N 3.27Å; N60-T64 PolarHBondContact O-OG1 2.77Å
61	Q	94	Very high	88.4	Confident	13 Å²	13	47.5 Å²	47.5	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-43.4	178.4	-68.3	-74.3	-26.8	0	0	111.3	Y57 L58 T64 K65 A165 D166	Y57-Q61 HydrophobicContact CD1-CG 4.19Å; Y57-Q61 HydrophobicContact CD2-CG 4.16Å; Y57-Q61 HydrophobicContact CE1-CG 3.74Å; Y57-Q61 HydrophobicContact CE2-CG 3.71Å; Y57-Q61 VanDerWaalsContact CE2-NE2 3.35Å; Y57-Q61 HydrophobicContact CG-CG 4.37Å; Y57-Q61 VanDerWaalsContact CZ-CG 3.47Å; Y57-Q61 VanDerWaalsContact O-CG 3.26Å; Y57-Q61 WeakPolarHBondContact O-CG 3.39Å; Y57-Q61 PolarHBondContact O-N 2.85Å; L58-Q61 PolarHBondContact O-N 2.67Å; Q61-T64 PolarHBondContact O-N 2.91Å; Q61-K65 WeakPolarHBondContact O-CA 3.11Å; Q61-K65 WeakPolarHBondContact O-CB 3.27Å; Q61-K65 PolarHBondContact O-N 3.07Å; Q61-K65 VanDerWaalsContact OE1-CD 3.23Å; Q61-A165 PolarHBondContact OE1-O 3.19Å; Q61-D166 PolarHBondContact NE2-OD1 3.27Å
62	T	91.5	Very high	87.7	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-43.4	178	-62.8	0	0	0	0	111.4	L58 N60 T64 E66 V69 L79	L58-T62 VanDerWaalsContact O-CB 3.25Å; L58-T62 WeakPolarHBondContact O-CB 3.34Å; L58-T62 PolarHBondContact O-N 3.03Å; L58-T62 PolarHBondContact O-OG1 2.9Å; N60-T62 VanDerWaalsContact C-N 3.34Å; N60-T62 PolarHBondContact O-N 3.1Å; T62-T64 VanDerWaalsContact C-N 3.33Å; T62-T64 PolarHBondContact O-N 3.02Å; T62-E66 HydrophobicContact CG2-CB 4Å; T62-E66 HydrophobicContact CG2-CG 4.5Å; T62-E66 VanDerWaalsContact O-CB 3.3Å; T62-E66 WeakPolarHBondContact O-CB 3.04Å; T62-E66 PolarHBondContact O-N 3.02Å; T62-V69 HydrophobicContact CG2-CB 3.92Å; T62-V69 HydrophobicContact CG2-CG1 4.28Å; T62-V69 HydrophobicContact CG2-CG2 3.31Å; T62-L79 HydrophobicContact CG2-CD1 4.05Å; T62-L79 HydrophobicContact CG2-CD2 3.86Å
63	Q	89.2	Confident	87.2	Confident	57 Å²	57	47.2 Å²	47.2	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-36.5	176.5	-74.2	169.4	30.5	0	0	113	S59 N60 V69 R70 S76 L79	S59-Q63 WeakPolarHBondContact O-CB 3.43Å; S59-Q63 VanDerWaalsContact O-CG 3.25Å; S59-Q63 WeakPolarHBondContact O-CG 3.4Å; S59-Q63 PolarHBondContact O-N 3.21Å; N60-Q63 PolarHBondContact O-N 2.99Å; Q63-V69 HydrophobicContact CG-CG1 4.47Å; Q63-R70 WeakPolarHBondContact O-CG 3.36Å; Q63-S76 VanDerWaalsContact NE2-CA 3.32Å; Q63-S76 PolarHBondContact NE2-OG 2.03Å; Q63-S76 PolarHBondContact OE1-OG 2.98Å; Q63-L79 HydrophobicContact CG-CD2 3.45Å; Q63-L79 VanDerWaalsContact CG-CD2 3.45Å
64	T	86.8	Confident	86.8	Confident	67 Å²	67	44.8 Å²	44.8	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-96.1	-28	-170.2	57	0	0	0	0	114.2	N60 Q61 T62 R70	N60-T64 WeakPolarHBondContact O-CB 3.42Å; N60-T64 VanDerWaalsContact O-CG2 3.31Å; N60-T64 WeakPolarHBondContact O-CG2 3.01Å; N60-T64 PolarHBondContact O-N 3.27Å; N60-T64 PolarHBondContact O-OG1 2.77Å; Q61-T64 PolarHBondContact O-N 2.91Å; T62-T64 VanDerWaalsContact C-N 3.33Å; T62-T64 PolarHBondContact O-N 3.02Å; T64-R70 WeakPolarHBondContact O-CD 3.32Å
65	K	85.5	Confident	86.6	Confident	99 Å²	99	47.8 Å²	47.8	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-119.1	-30.1	-174.1	-57.5	-168.1	-172.1	168.2	0	113.9	Q61 M67 A165 D166	Q61-K65 WeakPolarHBondContact O-CA 3.11Å; Q61-K65 WeakPolarHBondContact O-CB 3.27Å; Q61-K65 PolarHBondContact O-N 3.07Å; Q61-K65 VanDerWaalsContact OE1-CD 3.23Å; K65-M67 PolarHBondContact O-N 3.37Å; K65-A165 PolarHBondContact NZ-O 3.33Å; K65-D166 PolarHBondContact NZ-O 3.35Å; K65-D166 IonicContact NZ-OD1 3.56Å
66	E	82.5	Confident	86.3	Confident	54 Å²	54	50.7 Å²	50.7	25%	0.252	27%	0.268	S	S	.	.			trans	-78.2	112.5	-176.9	-172.5	58.8	-164.1	0	0	110.9	T62 K68 V69 R70	T62-E66 HydrophobicContact CG2-CB 4Å; T62-E66 HydrophobicContact CG2-CG 4.5Å; T62-E66 VanDerWaalsContact O-CB 3.3Å; T62-E66 WeakPolarHBondContact O-CB 3.04Å; T62-E66 PolarHBondContact O-N 3.02Å; E66-K68 HydrophobicContact CG-CB 4.15Å; E66-K68 HydrophobicContact CG-CD 4.35Å; E66-K68 HydrophobicContact CG-CG 4.44Å; E66-K68 PolarHBondContact O-N 3.4Å; E66-K68 VanDerWaalsContact O-N 3.16Å; E66-K68 WeakPolarHBondContact OE1-CD 3.45Å; E66-K68 WeakPolarHBondContact OE1-CE 3.27Å; E66-K68 IonicContact OE1-NZ 3.39Å; E66-K68 PolarHBondContact OE1-NZ 2.9Å; E66-V69 PolarHBondContact O-N 3.04Å; E66-R70 PolarHBondContact O-N 3.09Å
67	M	78.3	Confident	86.2	Confident	39 Å²	39	53.2 Å²	53.2	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-33.5	-174.8	-168.5	178	-76.2	0	0	112.7	K65 N71 F237	K65-M67 PolarHBondContact O-N 3.37Å; M67-N71 WeakPolarHBondContact O-CB 3.37Å; M67-N71 VanDerWaalsContact O-CG 3.31Å; M67-N71 PolarHBondContact O-N 3.39Å; M67-F237 HydrophobicContact CE-CB 4.45Å; M67-F237 HydrophobicContact CE-CD1 3.3Å; M67-F237 HydrophobicContact CE-CE1 3.76Å; M67-F237 HydrophobicContact CE-CG 4.04Å; M67-F237 HydrophobicContact CG-CB 4.24Å; M67-F237 HydrophobicContact CG-CD1 4.29Å; M67-F237 HydrophobicContact CG-CG 4.12Å; M67-F237 HydrophobicContact SD-CB 3.29Å; M67-F237 WeakPolarHBondContact SD-CB 3.28Å; M67-F237 HydrophobicContact SD-CD1 3.3Å; M67-F237 WeakPolarHBondContact SD-CD1 3.35Å; M67-F237 HydrophobicContact SD-CD2 4.33Å; M67-F237 HydrophobicContact SD-CE1 4.22Å; M67-F237 HydrophobicContact SD-CG 3.38Å; M67-F237 WeakPolarHBondContact SD-CG 3.29Å
68	K	74.3	Confident	86.1	Confident	15 Å²	15	53.4 Å²	53.4	7%	0.065	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-49.6	176.7	-58.2	163.7	-168	173.6	0	110.4	E66 F72 W228 M233	E66-K68 HydrophobicContact CG-CB 4.15Å; E66-K68 HydrophobicContact CG-CD 4.35Å; E66-K68 HydrophobicContact CG-CG 4.44Å; E66-K68 PolarHBondContact O-N 3.4Å; E66-K68 VanDerWaalsContact O-N 3.16Å; E66-K68 WeakPolarHBondContact OE1-CD 3.45Å; E66-K68 WeakPolarHBondContact OE1-CE 3.27Å; E66-K68 IonicContact OE1-NZ 3.39Å; E66-K68 PolarHBondContact OE1-NZ 2.9Å; K68-F72 HydrophobicContact CB-CE2 4.38Å; K68-F72 WeakPolarHBondContact O-CD2 3.35Å; K68-F72 WeakPolarHBondContact O-CE2 3.31Å; K68-F72 WeakPolarHBondContact O-CG 3.35Å; K68-F72 PolarHBondContact O-N 3.42Å; K68-W228 HydrophobicContact CB-CZ3 4.35Å; K68-W228 HydrophobicContact CD-CD2 4.48Å; K68-W228 HydrophobicContact CD-CE3 4.14Å; K68-W228 HydrophobicContact CD-CH2 3.34Å; K68-W228 HydrophobicContact CD-CZ2 3.67Å; K68-W228 HydrophobicContact CD-CZ3 3.57Å; K68-W228 HydrophobicContact CG-CD2 4.4Å; K68-W228 HydrophobicContact CG-CE3 3.92Å; K68-W228 HydrophobicContact CG-CH2 4.04Å; K68-W228 HydrophobicContact CG-CZ2 4.44Å; K68-W228 HydrophobicContact CG-CZ3 3.73Å; K68-W228 VanDerWaalsContact NZ-CZ2 3.33Å; K68-M233 HydrophobicContact CB-CE 4.3Å; K68-M233 HydrophobicContact CG-CE 3.68Å
69	V	76.5	Confident	85.9	Confident	14 Å²	14	53.6 Å²	53.6	9%	0.085	29%	0.287	C	S	.	.	H	α-helix	trans	-73.5	-39.6	-176.7	174.5	0	0	0	0	111.8	T62 Q63 E66 N71 F72 S73 I74 L79	T62-V69 HydrophobicContact CG2-CB 3.92Å; T62-V69 HydrophobicContact CG2-CG1 4.28Å; T62-V69 HydrophobicContact CG2-CG2 3.31Å; Q63-V69 HydrophobicContact CG-CG1 4.47Å; E66-V69 PolarHBondContact O-N 3.04Å; V69-N71 VanDerWaalsContact C-N 3.27Å; V69-N71 PolarHBondContact O-N 3.31Å; V69-F72 PolarHBondContact O-N 3.21Å; V69-S73 PolarHBondContact O-N 3.5Å; V69-I74 HydrophobicContact CB-CD1 4.39Å; V69-I74 HydrophobicContact CG1-CB 4.24Å; V69-I74 HydrophobicContact CG1-CD1 4.23Å; V69-I74 HydrophobicContact CG1-CG1 4.49Å; V69-I74 HydrophobicContact CG2-CD1 3.97Å; V69-L79 HydrophobicContact CG1-CD2 4.11Å; V69-L79 HydrophobicContact CG2-CD1 4.42Å
70	R	75.7	Confident	86	Confident	161 Å²	161	56.4 Å²	56.4	61%	0.608	30%	0.298	S	S	*	.	H	α-helix	trans	-58.1	-38.4	177.2	-76	-177.4	59.2	-174.1	-6.1	113.3	Q63 T64 E66	Q63-R70 WeakPolarHBondContact O-CG 3.36Å; T64-R70 WeakPolarHBondContact O-CD 3.32Å; E66-R70 PolarHBondContact O-N 3.09Å
71	N	77	Confident	86	Confident	60 Å²	60	54.4 Å²	54.4	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-82.7	-25.6	-176.8	-69.2	-0.5	0	0	0	112.7	M67 V69	M67-N71 WeakPolarHBondContact O-CB 3.37Å; M67-N71 VanDerWaalsContact O-CG 3.31Å; M67-N71 PolarHBondContact O-N 3.39Å; V69-N71 VanDerWaalsContact C-N 3.27Å; V69-N71 PolarHBondContact O-N 3.31Å
72	F	79	Confident	86.1	Confident	22 Å²	22	54.3 Å²	54.3	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-93.8	3.2	-178.2	-59.9	-46.5	0	0	0	114.6	K68 V69 I74 L128 I132 L231 M233	K68-F72 HydrophobicContact CB-CE2 4.38Å; K68-F72 WeakPolarHBondContact O-CD2 3.35Å; K68-F72 WeakPolarHBondContact O-CE2 3.31Å; K68-F72 WeakPolarHBondContact O-CG 3.35Å; K68-F72 PolarHBondContact O-N 3.42Å; V69-F72 PolarHBondContact O-N 3.21Å; F72-I74 HydrophobicContact CB-CD1 4.47Å; F72-I74 HydrophobicContact CB-CG1 4.1Å; F72-I74 PolarHBondContact O-N 2.92Å; F72-I74 VanDerWaalsContact O-N 3.14Å; F72-L128 HydrophobicContact CB-CD1 4.33Å; F72-L128 WeakPolarHBondContact O-CD1 3.26Å; F72-I132 HydrophobicContact CD2-CD1 3.59Å; F72-I132 HydrophobicContact CD2-CG1 3.98Å; F72-I132 HydrophobicContact CE2-CD1 4.27Å; F72-I132 HydrophobicContact CE2-CG1 4.23Å; F72-I132 HydrophobicContact CG-CD1 4.37Å; F72-L231 HydrophobicContact CE1-CB 3.93Å; F72-L231 WeakPolarHBondContact CE1-O 3.49Å; F72-L231 HydrophobicContact CE2-CB 4.15Å; F72-L231 HydrophobicContact CE2-CD1 4.3Å; F72-L231 HydrophobicContact CZ-CB 3.43Å; F72-L231 VanDerWaalsContact CZ-CB 3.43Å; F72-L231 HydrophobicContact CZ-CD1 4.36Å; F72-M233 HydrophobicContact CZ-CB 4.35Å
73	S	82.5	Confident	86.2	Confident	109 Å²	109	53.9 Å²	53.9	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	39.7	175.3	-57.3	0	0	0	0	114.2	V69 S75	V69-S73 PolarHBondContact O-N 3.5Å; S73-S75 PolarHBondContact O-N 3.13Å
74	I	86.5	Confident	86.6	Confident	22 Å²	22	54.3 Å²	54.3	11%	0.113	29%	0.285	C	S	.	.			trans	-68.1	130.2	-179.4	-55.3	175.4	0	0	0	109.3	V69 F72 L79 L128 I129 I132	V69-I74 HydrophobicContact CB-CD1 4.39Å; V69-I74 HydrophobicContact CG1-CB 4.24Å; V69-I74 HydrophobicContact CG1-CD1 4.23Å; V69-I74 HydrophobicContact CG1-CG1 4.49Å; V69-I74 HydrophobicContact CG2-CD1 3.97Å; F72-I74 HydrophobicContact CB-CD1 4.47Å; F72-I74 HydrophobicContact CB-CG1 4.1Å; F72-I74 PolarHBondContact O-N 2.92Å; F72-I74 VanDerWaalsContact O-N 3.14Å; I74-L79 HydrophobicContact CG2-CB 4.24Å; I74-L128 HydrophobicContact CG1-CB 4.43Å; I74-I129 HydrophobicContact CD1-CG1 4.11Å; I74-I129 HydrophobicContact CG2-CD1 3.83Å; I74-I129 HydrophobicContact CG2-CG1 3.79Å; I74-I132 HydrophobicContact CD1-CD1 3.6Å
75	S	88.9	Confident	86.9	Confident	64 Å²	64	55 Å²	55	45%	0.448	28%	0.283	S	S	.	.			trans	-61.6	140.5	178.7	69.1	0	0	0	0	112.1	S73 D77 S78 L79	S73-S75 PolarHBondContact O-N 3.13Å; S75-D77 VanDerWaalsContact C-N 3.3Å; S75-D77 PolarHBondContact O-N 2.93Å; S75-S78 PolarHBondContact O-N 2.76Å; S75-S78 WeakPolarHBondContact OG-CB 3.39Å; S75-S78 PolarHBondContact OG-N 2.85Å; S75-S78 PolarHBondContact OG-OG 2.86Å; S75-L79 PolarHBondContact O-N 3.49Å
76	S	90.4	Very high	87.4	Confident	62 Å²	62	50.3 Å²	50.3	43%	0.434	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-40.4	-176.4	-59.7	0	0	0	0	112.8	Q63 L79 Y80	Q63-S76 VanDerWaalsContact NE2-CA 3.32Å; Q63-S76 PolarHBondContact NE2-OG 2.03Å; Q63-S76 PolarHBondContact OE1-OG 2.98Å; S76-L79 PolarHBondContact O-N 2.93Å; S76-Y80 VanDerWaalsContact O-CB 3.31Å; S76-Y80 WeakPolarHBondContact O-CB 3.41Å; S76-Y80 PolarHBondContact O-N 2.8Å
77	D	92.6	Very high	87.9	Confident	132 Å²	132	50 Å²	50	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-66.6	-39	179.2	-64.8	-16.3	0	0	0	112.6	S75 T81	S75-D77 VanDerWaalsContact C-N 3.3Å; S75-D77 PolarHBondContact O-N 2.93Å; D77-T81 WeakPolarHBondContact O-CB 3.42Å; D77-T81 PolarHBondContact O-N 3.4Å; D77-T81 PolarHBondContact O-OG1 2.94Å
78	S	92.8	Very high	88.6	Confident	29 Å²	29	53 Å²	53	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-44.8	176	-68.5	0	0	0	0	111	S75 T81 H82	S75-S78 PolarHBondContact O-N 2.76Å; S75-S78 WeakPolarHBondContact OG-CB 3.39Å; S75-S78 PolarHBondContact OG-N 2.85Å; S75-S78 PolarHBondContact OG-OG 2.86Å; S78-T81 PolarHBondContact O-N 3.34Å; S78-H82 WeakPolarHBondContact O-CB 3.31Å; S78-H82 PolarHBondContact O-N 3.32Å
79	L	92.6	Very high	89.5	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-44.3	177.9	-175.1	70.7	0	0	0	111.5	T62 Q63 V69 I74 S75 S76 T81 H82 I83	T62-L79 HydrophobicContact CG2-CD1 4.05Å; T62-L79 HydrophobicContact CG2-CD2 3.86Å; Q63-L79 HydrophobicContact CG-CD2 3.45Å; Q63-L79 VanDerWaalsContact CG-CD2 3.45Å; V69-L79 HydrophobicContact CG1-CD2 4.11Å; V69-L79 HydrophobicContact CG2-CD1 4.42Å; I74-L79 HydrophobicContact CG2-CB 4.24Å; S75-L79 PolarHBondContact O-N 3.49Å; S76-L79 PolarHBondContact O-N 2.93Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 2.65Å; L79-H82 PolarHBondContact O-N 3.29Å; L79-I83 HydrophobicContact CD1-CD1 4.06Å; L79-I83 HydrophobicContact CD1-CG1 4.35Å; L79-I83 HydrophobicContact CD2-CD1 4.24Å; L79-I83 HydrophobicContact CG-CD1 3.78Å; L79-I83 HydrophobicContact CG-CG1 4.37Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.44Å
80	Y	94.9	Very high	90.3	Very high	65 Å²	65	57 Å²	57	26%	0.255	29%	0.291	S	S	.	.	H	α-helix	trans	-55.8	-49.9	177.7	-169.4	-87.8	0	0	0	111.4	V55 D56 S59 S76 I83 Y84	V55-Y80 HydrophobicContact CB-CE2 4.26Å; V55-Y80 HydrophobicContact CG1-CD1 4.05Å; V55-Y80 HydrophobicContact CG1-CD2 3.84Å; V55-Y80 HydrophobicContact CG1-CE1 3.78Å; V55-Y80 HydrophobicContact CG1-CE2 3.55Å; V55-Y80 HydrophobicContact CG1-CG 4.08Å; D56-Y80 WeakPolarHBondContact OD1-CE2 3.25Å; D56-Y80 VanDerWaalsContact OD1-CZ 3.24Å; D56-Y80 PolarHBondContact OD1-OH 2.82Å; S59-Y80 WeakPolarHBondContact OG-CD2 3.44Å; S76-Y80 VanDerWaalsContact O-CB 3.31Å; S76-Y80 WeakPolarHBondContact O-CB 3.41Å; S76-Y80 PolarHBondContact O-N 2.8Å; Y80-I83 PolarHBondContact O-N 3.4Å; Y80-Y84 WeakPolarHBondContact O-CB 3.08Å; Y80-Y84 PolarHBondContact O-N 3.09Å
81	T	95.5	Very high	91.2	Very high	46 Å²	46	51.2 Å²	51.2	28%	0.282	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-42.1	-179.6	-54.3	0	0	0	0	111	D77 S78 L79 Y84 F85 Y124	D77-T81 WeakPolarHBondContact O-CB 3.42Å; D77-T81 PolarHBondContact O-N 3.4Å; D77-T81 PolarHBondContact O-OG1 2.94Å; S78-T81 PolarHBondContact O-N 3.34Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 2.65Å; T81-Y84 PolarHBondContact O-N 3.14Å; T81-F85 HydrophobicContact CG2-CD2 3.84Å; T81-F85 HydrophobicContact CG2-CE2 3.62Å; T81-F85 WeakPolarHBondContact O-CD2 3.44Å; T81-F85 PolarHBondContact O-N 2.96Å; T81-Y124 HydrophobicContact CG2-CD1 3.63Å; T81-Y124 HydrophobicContact CG2-CE1 3.34Å; T81-Y124 HydrophobicContact CG2-CG 4.41Å
82	H	95	Very high	91.8	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-49.1	174.2	175	73.6	0	0	0	112.1	S78 L79 Y84 F85 A86 M123 Y124 I129	S78-H82 WeakPolarHBondContact O-CB 3.31Å; S78-H82 PolarHBondContact O-N 3.32Å; L79-H82 PolarHBondContact O-N 3.29Å; H82-Y84 VanDerWaalsContact C-N 3.34Å; H82-Y84 PolarHBondContact O-N 3.12Å; H82-F85 PolarHBondContact O-N 3.17Å; H82-A86 WeakPolarHBondContact O-CB 3.35Å; H82-A86 PolarHBondContact O-N 3.06Å; H82-M123 WeakPolarHBondContact CE1-CE 3.31Å; H82-Y124 PolarHBondContact ND1-O 2.82Å; H82-I129 HydrophobicContact CB-CD1 3.8Å; H82-I129 HydrophobicContact CB-CG2 4.45Å
83	I	95	Very high	92.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-38.7	179.2	-67.2	173.7	0	0	0	111.1	V55 L58 L79 Y80 F85 A86 W87 L162	V55-I83 HydrophobicContact CB-CG2 4.45Å; V55-I83 HydrophobicContact CG1-CB 4.29Å; V55-I83 HydrophobicContact CG1-CG2 4.03Å; V55-I83 HydrophobicContact CG2-CG2 4.46Å; L58-I83 HydrophobicContact CB-CD1 4.28Å; L58-I83 HydrophobicContact CB-CG2 3.89Å; L58-I83 HydrophobicContact CD1-CG2 4.18Å; L79-I83 HydrophobicContact CD1-CD1 4.06Å; L79-I83 HydrophobicContact CD1-CG1 4.35Å; L79-I83 HydrophobicContact CD2-CD1 4.24Å; L79-I83 HydrophobicContact CG-CD1 3.78Å; L79-I83 HydrophobicContact CG-CG1 4.37Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.44Å; Y80-I83 PolarHBondContact O-N 3.4Å; I83-F85 PolarHBondContact O-N 3.14Å; I83-A86 WeakPolarHBondContact O-CB 3.36Å; I83-A86 PolarHBondContact O-N 3.18Å; I83-W87 PolarHBondContact O-N 2.84Å; I83-L162 HydrophobicContact CB-CD1 4.47Å; I83-L162 HydrophobicContact CD1-CD2 4.29Å; I83-L162 HydrophobicContact CG1-CD1 3.99Å; I83-L162 HydrophobicContact CG1-CD2 3.92Å
84	Y	95.9	Very high	93	Very high	65 Å²	65	54.7 Å²	54.7	26%	0.255	27%	0.269	S	S	.	.	H	α-helix	trans	-58.7	-45.6	175.2	175	-92.3	0	0	0	112.2	L51 L52 V55 Y80 T81 H82 K88	L51-Y84 HydrophobicContact CD2-CD2 4.23Å; L51-Y84 HydrophobicContact CD2-CE2 3.59Å; L51-Y84 HydrophobicContact CG-CD2 4.43Å; L51-Y84 HydrophobicContact CG-CE2 4.2Å; L52-Y84 HydrophobicContact CD2-CD2 4.12Å; L52-Y84 HydrophobicContact CD2-CE2 4.05Å; V55-Y84 HydrophobicContact CG2-CD2 4.31Å; Y80-Y84 WeakPolarHBondContact O-CB 3.08Å; Y80-Y84 PolarHBondContact O-N 3.09Å; T81-Y84 PolarHBondContact O-N 3.14Å; H82-Y84 VanDerWaalsContact C-N 3.34Å; H82-Y84 PolarHBondContact O-N 3.12Å; Y84-K88 HydrophobicContact CE1-CD 4.4Å; Y84-K88 VanDerWaalsContact CE1-NZ 3.3Å; Y84-K88 VanDerWaalsContact CZ-CE 3.46Å; Y84-K88 VanDerWaalsContact OH-CE 3.3Å; Y84-K88 WeakPolarHBondContact OH-CE 3.42Å; Y84-K88 PolarHBondContact OH-NZ 2.81Å; Y84-K88 VanDerWaalsContact OH-NZ 3.14Å
85	F	94.8	Very high	93.5	Very high	83 Å²	83	53.7 Å²	53.7	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-71.1	-38	175.5	-77	-68.7	0	0	0	112.1	T81 H82 I83 W87 K88 E89 Y124	T81-F85 HydrophobicContact CG2-CD2 3.84Å; T81-F85 HydrophobicContact CG2-CE2 3.62Å; T81-F85 WeakPolarHBondContact O-CD2 3.44Å; T81-F85 PolarHBondContact O-N 2.96Å; H82-F85 PolarHBondContact O-N 3.17Å; I83-F85 PolarHBondContact O-N 3.14Å; F85-W87 VanDerWaalsContact C-N 3.28Å; F85-W87 PolarHBondContact O-N 2.92Å; F85-K88 HydrophobicContact CD1-CD 4.43Å; F85-K88 WeakPolarHBondContact O-CB 3.02Å; F85-K88 PolarHBondContact O-N 3.16Å; F85-K88 VanDerWaalsContact O-N 3.08Å; F85-E89 PolarHBondContact O-N 3.5Å; F85-Y124 HydrophobicContact CD2-CD1 4.09Å; F85-Y124 AromaticContact CD2-CG 3.89Å; F85-Y124 HydrophobicContact CD2-CG 3.89Å; F85-Y124 HydrophobicContact CE2-CG 4.2Å
86	A	94.1	Very high	93.8	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-40.9	175.6	0	0	0	0	0	112.5	H82 I83 K88 E89 A90 L115 M123 L162	H82-A86 WeakPolarHBondContact O-CB 3.35Å; H82-A86 PolarHBondContact O-N 3.06Å; I83-A86 WeakPolarHBondContact O-CB 3.36Å; I83-A86 PolarHBondContact O-N 3.18Å; A86-K88 VanDerWaalsContact C-N 3.26Å; A86-K88 PolarHBondContact O-N 2.04Å; A86-E89 PolarHBondContact O-N 3.19Å; A86-A90 PolarHBondContact O-N 3.39Å; A86-A90 VanDerWaalsContact O-N 3.09Å; A86-L115 HydrophobicContact CB-CD2 3.98Å; A86-L115 VanDerWaalsContact O-CD2 3.29Å; A86-L115 WeakPolarHBondContact O-CD2 3.09Å; A86-M123 HydrophobicContact CB-CE 3.25Å; A86-L162 HydrophobicContact CB-CD1 3.35Å
87	W	93.9	Very high	94.1	Very high	48 Å²	48	48 Å²	48	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-37.6	176.4	177.3	94.8	0	0	0	112.6	L46 L51 I83 F85 E89 A90 L113	L46-W87 HydrophobicContact CD1-CD2 4.42Å; L46-W87 VanDerWaalsContact CD1-CE2 3.44Å; L46-W87 HydrophobicContact CD1-CZ2 3.64Å; L51-W87 HydrophobicContact CD1-CB 4.12Å; L51-W87 HydrophobicContact CD1-CD2 3.14Å; L51-W87 VanDerWaalsContact CD1-CE2 3.47Å; L51-W87 HydrophobicContact CD1-CE3 3.35Å; L51-W87 HydrophobicContact CD1-CG 3.47Å; L51-W87 VanDerWaalsContact CD1-CG 3.47Å; L51-W87 HydrophobicContact CD1-CH2 4.14Å; L51-W87 HydrophobicContact CD1-CZ2 3.96Å; L51-W87 HydrophobicContact CD1-CZ3 3.86Å; L51-W87 HydrophobicContact CD2-CE3 3.98Å; L51-W87 HydrophobicContact CD2-CH2 4.29Å; L51-W87 HydrophobicContact CD2-CZ3 3.83Å; L51-W87 HydrophobicContact CG-CD2 4.41Å; L51-W87 HydrophobicContact CG-CE3 4.29Å; L51-W87 HydrophobicContact CG-CZ3 4.4Å; I83-W87 PolarHBondContact O-N 2.84Å; F85-W87 VanDerWaalsContact C-N 3.28Å; F85-W87 PolarHBondContact O-N 2.92Å; W87-E89 PolarHBondContact O-N 3.36Å; W87-A90 WeakPolarHBondContact O-CB 3.35Å; W87-A90 PolarHBondContact O-N 2.82Å; W87-L113 HydrophobicContact CB-CD1 4.22Å
88	K	92.4	Very high	94.3	Very high	101 Å²	101	41.8 Å²	41.8	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-65.1	-30.6	-179.8	-67.1	-175.9	178	-179.8	0	112.5	Y84 F85 A86	Y84-K88 HydrophobicContact CE1-CD 4.4Å; Y84-K88 VanDerWaalsContact CE1-NZ 3.3Å; Y84-K88 VanDerWaalsContact CZ-CE 3.46Å; Y84-K88 VanDerWaalsContact OH-CE 3.3Å; Y84-K88 WeakPolarHBondContact OH-CE 3.42Å; Y84-K88 PolarHBondContact OH-NZ 2.81Å; Y84-K88 VanDerWaalsContact OH-NZ 3.14Å; F85-K88 HydrophobicContact CD1-CD 4.43Å; F85-K88 WeakPolarHBondContact O-CB 3.02Å; F85-K88 PolarHBondContact O-N 3.16Å; F85-K88 VanDerWaalsContact O-N 3.08Å; A86-K88 VanDerWaalsContact C-N 3.26Å; A86-K88 PolarHBondContact O-N 2.04Å
89	E	93.4	Very high	94.5	Very high	104 Å²	104	40.5 Å²	40.5	49%	0.486	18%	0.181	S	C	.	.	H	α-helix	trans	-92.9	-4.4	179.6	-55.8	-55.5	144.9	0	0	113	F85 A86 W87 L115 I119	F85-E89 PolarHBondContact O-N 3.5Å; A86-E89 PolarHBondContact O-N 3.19Å; W87-E89 PolarHBondContact O-N 3.36Å; E89-L115 HydrophobicContact CB-CD2 4.19Å; E89-I119 HydrophobicContact CB-CD1 4.47Å; E89-I119 HydrophobicContact CB-CG1 4.13Å
90	A	93.9	Very high	94.5	Very high	10 Å²	10	43.9 Å²	43.9	8%	0.083	19%	0.193	C	C	.	.	S	Bend	trans	-71.8	139.5	-176.7	0	0	0	0	0	111.7	A86 W87 Q92 L113 V114	A86-A90 PolarHBondContact O-N 3.39Å; A86-A90 VanDerWaalsContact O-N 3.09Å; W87-A90 WeakPolarHBondContact O-CB 3.35Å; W87-A90 PolarHBondContact O-N 2.82Å; A90-Q92 PolarHBondContact O-N 3.49Å; A90-L113 HydrophobicContact CB-CB 4.29Å; A90-L113 HydrophobicContact CB-CD2 4.31Å; A90-V114 CarbonylContact C-O 3.53Å; A90-V114 WeakPolarHBondContact CA-O 3.36Å
91	N	94.2	Very high	94.2	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.203	19%	0.194	C	C	.	.			trans	-69	120.8	173.8	-177.9	-59.1	0	0	0	109.7	Y93 M94 S95 V114	N91-Y93 VanDerWaalsContact C-N 3.33Å; N91-Y93 PolarHBondContact O-N 3.18Å; N91-Y93 PolarHBondContact OD1-N 2.96Å; N91-M94 HydrophobicContact CB-CB 4.28Å; N91-M94 PolarHBondContact O-N 2.83Å; N91-M94 PolarHBondContact OD1-N 2.79Å; N91-M94 VanDerWaalsContact OD1-N 3.11Å; N91-S95 VanDerWaalsContact O-CB 3.23Å; N91-S95 WeakPolarHBondContact O-CB 3.5Å; N91-S95 PolarHBondContact O-N 2.86Å; N91-S95 PolarHBondContact O-OG 2.95Å; N91-V114 PolarHBondContact N-O 2.91Å
92	Q	90.7	Very high	93.3	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.7	-170	-63.5	-167.9	-12.4	0	0	114.9	L46 A90	L46-Q92 HydrophobicContact CD1-CG 4.19Å; L46-Q92 HydrophobicContact CD2-CB 3.78Å; L46-Q92 HydrophobicContact CD2-CG 4.06Å; L46-Q92 WeakPolarHBondContact CD2-O 3.45Å; A90-Q92 PolarHBondContact O-N 3.49Å
93	Y	90.8	Very high	92	Very high	164 Å²	164	50.1 Å²	50.1	64%	0.643	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-32.4	-177.3	-61.2	-74.5	0	0	0	112.1	N91 Y181	N91-Y93 VanDerWaalsContact C-N 3.33Å; N91-Y93 PolarHBondContact O-N 3.18Å; N91-Y93 PolarHBondContact OD1-N 2.96Å; Y93-Y181 WeakPolarHBondContact O-CB 3.21Å
94	M	95	Very high	90.4	Very high	1 Å²	1	61 Å²	61	1%	0.005	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.9	-177.4	-58.7	178.9	-167.7	0	0	113.3	N91 P96 V114 Y158 T178 F182 S185	N91-M94 HydrophobicContact CB-CB 4.28Å; N91-M94 PolarHBondContact O-N 2.83Å; N91-M94 PolarHBondContact OD1-N 2.79Å; N91-M94 VanDerWaalsContact OD1-N 3.11Å; M94-P96 VanDerWaalsContact C-CD 3.43Å; M94-P96 WeakPolarHBondContact O-CD 3.21Å; M94-V114 HydrophobicContact CB-CB 3.91Å; M94-V114 HydrophobicContact CB-CG1 3.95Å; M94-V114 HydrophobicContact CB-CG2 4.17Å; M94-V114 WeakPolarHBondContact O-CG2 3.5Å; M94-V114 HydrophobicContact SD-CG1 4.3Å; M94-Y158 HydrophobicContact CE-CE1 4.11Å; M94-Y158 HydrophobicContact CE-CE2 4.24Å; M94-Y158 HydrophobicContact SD-CD1 3.88Å; M94-Y158 HydrophobicContact SD-CE1 3.93Å; M94-Y158 HydrophobicContact SD-CG 4.17Å; M94-T178 WeakPolarHBondContact O-CG2 3.24Å; M94-T178 PolarHBondContact O-OG1 2.94Å; M94-F182 HydrophobicContact CE-CD2 4.38Å; M94-F182 HydrophobicContact SD-CB 4.33Å; M94-F182 HydrophobicContact SD-CD2 4.22Å; M94-S185 WeakPolarHBondContact CE-OG 3.34Å
95	S	96.5	Very high	89.1	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	29%	0.293	C	S	.	.			trans	-106	81.7	-175.4	-58.3	0	0	0	0	112.1	L46 N91 N112 V114	L46-S95 PolarHBondContact N-O 2.79Å; N91-S95 VanDerWaalsContact O-CB 3.23Å; N91-S95 WeakPolarHBondContact O-CB 3.5Å; N91-S95 PolarHBondContact O-N 2.86Å; N91-S95 PolarHBondContact O-OG 2.95Å; S95-N112 CarbonylContact C-O 3.55Å; S95-N112 WeakPolarHBondContact CA-O 3.43Å; S95-N112 WeakPolarHBondContact CB-O 3.37Å; S95-V114 PolarHBondContact OG-N 3.34Å
96	P	96.7	Very high	88.1	Confident	6 Å²	6	61.1 Å²	61.1	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	154.5	-178.7	30.9	-36.6	0	0	0	112.7	I43 K44 M94 N112 L174 E177 T178	I43-P96 HydrophobicContact CG2-CB 3.61Å; K44-P96 CarbonylContact O-C 3.58Å; K44-P96 WeakPolarHBondContact O-CA 3.42Å; M94-P96 VanDerWaalsContact C-CD 3.43Å; M94-P96 WeakPolarHBondContact O-CD 3.21Å; P96-N112 HydrophobicContact CG-CB 4.24Å; P96-N112 PolarHBondContact O-N 3.35Å; P96-L174 HydrophobicContact CB-CD2 4.06Å; P96-L174 HydrophobicContact CG-CB 4.49Å; P96-L174 HydrophobicContact CG-CD2 3.92Å; P96-E177 HydrophobicContact CB-CB 4.4Å; P96-E177 HydrophobicContact CB-CG 4.45Å; P96-E177 HydrophobicContact CG-CB 4.44Å; P96-T178 VanDerWaalsContact CD-OG1 3.28Å; P96-T178 WeakPolarHBondContact CD-OG1 3.46Å; P96-T178 WeakPolarHBondContact CG-OG1 3.33Å
97	I	96.5	Very high	88.1	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.6	166.8	68.5	170.5	0	0	0	109.9	I43 K44 T45 L46 S48 V49 L54 L99 G110 A111	I43-I97 CarbonylContact C-O 3.59Å; I43-I97 VanDerWaalsContact CA-O 3.29Å; I43-I97 WeakPolarHBondContact CA-O 3.2Å; K44-I97 HydrophobicContact CB-CG1 4.04Å; K44-I97 PolarHBondContact N-O 2.93Å; K44-I97 PolarHBondContact O-N 3.27Å; T45-I97 WeakPolarHBondContact O-CD1 3.23Å; L46-I97 HydrophobicContact CB-CG2 4.42Å; S48-I97 WeakPolarHBondContact OG-CD1 3.29Å; V49-I97 HydrophobicContact CB-CD1 4.16Å; V49-I97 HydrophobicContact CG1-CD1 3.42Å; V49-I97 VanDerWaalsContact CG1-CD1 3.42Å; V49-I97 HydrophobicContact CG2-CD1 3.68Å; L54-I97 HydrophobicContact CD1-CG2 4.02Å; L54-I97 HydrophobicContact CD2-CG2 4.34Å; I97-L99 HydrophobicContact CD1-CD1 4.31Å; I97-L99 HydrophobicContact CD1-CD2 3.87Å; I97-L99 HydrophobicContact CD1-CG 4.13Å; I97-L99 HydrophobicContact CG1-CD2 4.44Å; I97-L99 HydrophobicContact CG1-CG 4.41Å; I97-G110 CarbonylContact C-O 3.58Å; I97-G110 WeakPolarHBondContact CA-O 3.37Å; I97-A111 HydrophobicContact CG2-CB 4.17Å
98	A	96.4	Very high	88.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.6	172.6	0	0	0	0	0	109.3	F41 T42 I43 V109 G110 I170 L174	F41-A98 HydrophobicContact CD2-CB 3.99Å; T42-A98 WeakPolarHBondContact O-CA 3.33Å; I43-A98 HydrophobicContact CD1-CB 3.63Å; A98-V109 HydrophobicContact CB-CG2 3.81Å; A98-V109 WeakPolarHBondContact O-CG2 3.46Å; A98-V109 PolarHBondContact O-N 3.4Å; A98-G110 PolarHBondContact N-O 3.06Å; A98-G110 PolarHBondContact O-N 3.03Å; A98-I170 HydrophobicContact CB-CG2 3.75Å; A98-L174 HydrophobicContact CB-CD2 4.3Å
99	L	95.5	Very high	88.3	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.3	178.6	-57.8	-179.8	0	0	0	110.2	F41 T42 K44 V49 I97 D106 E107 I108	F41-L99 CarbonylContact C-O 3.33Å; F41-L99 WeakPolarHBondContact CA-O 3.38Å; F41-L99 VanDerWaalsContact CB-O 3.26Å; F41-L99 WeakPolarHBondContact CB-O 3.48Å; T42-L99 PolarHBondContact N-O 3.42Å; T42-L99 PolarHBondContact O-N 3.47Å; K44-L99 HydrophobicContact CD-CD1 3.74Å; K44-L99 HydrophobicContact CG-CD1 4.33Å; V49-L99 HydrophobicContact CG1-CD1 4.2Å; V49-L99 HydrophobicContact CG1-CD2 3.7Å; I97-L99 HydrophobicContact CD1-CD1 4.31Å; I97-L99 HydrophobicContact CD1-CD2 3.87Å; I97-L99 HydrophobicContact CD1-CG 4.13Å; I97-L99 HydrophobicContact CG1-CD2 4.44Å; I97-L99 HydrophobicContact CG1-CG 4.41Å; L99-D106 HydrophobicContact CD1-CB 4.09Å; L99-D106 HydrophobicContact CD2-CB 4.29Å; L99-E107 CarbonylContact C-O 3.39Å; L99-E107 VanDerWaalsContact CA-O 3.28Å; L99-E107 WeakPolarHBondContact CA-O 3.36Å; L99-I108 HydrophobicContact CD2-CB 4.48Å; L99-I108 HydrophobicContact CD2-CG1 3.94Å
100	R	94.5	Very high	88.5	Confident	74 Å²	74	53.4 Å²	53.4	28%	0.279	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.1	175.9	-168.3	160.5	-75.7	134.8	3.8	110.6	D40 S103 E107 V109 D166	D40-R100 CarbonylContact O-C 3.45Å; D40-R100 IonicContact OD2-NE 3.87Å; R100-S103 PolarHBondContact O-OG 3.03Å; R100-S103 VanDerWaalsContact O-OG 3.07Å; R100-E107 HydrophobicContact CB-CB 4.16Å; R100-E107 WeakPolarHBondContact CD-OE2 3.29Å; R100-E107 IonicContact CZ-OE1 2.84Å; R100-E107 IonicContact CZ-OE2 3.97Å; R100-E107 PolarHBondContact N-O 3.41Å; R100-E107 IonicContact NE-OE2 3.84Å; R100-E107 IonicContact NH1-OE1 3.94Å; R100-E107 PolarHBondContact NH1-OE1 3.02Å; R100-E107 IonicContact NH1-OE2 3.74Å; R100-E107 PolarHBondContact NH1-OE2 2.81Å; R100-V109 HydrophobicContact CB-CG1 3.86Å; R100-V109 VanDerWaalsContact CZ-CG1 3.47Å; R100-V109 VanDerWaalsContact NH2-CG1 3.33Å; R100-D166 IonicContact NH2-OD2 2.8Å
101	N	88.6	Confident	88.6	Confident	51 Å²	51	53 Å²	53	27%	0.273	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	143.1	173.5	-67	-20.9	0	0	0	108.9	K39 D40 F41 T42 S103	K39-N101 PolarHBondContact O-ND2 3.34Å; D40-N101 WeakPolarHBondContact O-CB 3.16Å; D40-N101 PolarHBondContact O-N 2.9Å; F41-N101 PolarHBondContact N-ND2 3Å; F41-N101 PolarHBondContact O-ND2 3.45Å; T42-N101 WeakPolarHBondContact CG2-OD1 3.16Å; T42-N101 PolarHBondContact N-OD1 3.5Å; T42-N101 PolarHBondContact OG1-OD1 3.01Å; N101-S103 PolarHBondContact O-N 3.04Å; N101-S103 VanDerWaalsContact O-N 3.12Å
102	N	76.4	Confident	88.8	Confident	170 Å²	170	51.2 Å²	51.2	91%	0.909	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	10.9	176.3	-50.3	-38.6	0	0	0	116
103	S	66.6	Low	89	Confident	33 Å²	33	46.5 Å²	46.5	23%	0.231	23%	0.227	C	C	.	.			trans	-74.7	131.5	168.1	57.4	0	0	0	0	109.4	R100 N101 S105 E107	R100-S103 PolarHBondContact O-OG 3.03Å; R100-S103 VanDerWaalsContact O-OG 3.07Å; N101-S103 PolarHBondContact O-N 3.04Å; N101-S103 VanDerWaalsContact O-N 3.12Å; S103-S105 CarbonylContact C-O 3.53Å; S103-S105 WeakPolarHBondContact CB-O 3.5Å; S103-S105 PolarHBondContact O-N 2.92Å; S103-S105 PolarHBondContact OG-O 2.77Å; S103-E107 PolarHBondContact OG-N 3.19Å
104	K	62.8	Low	89.3	Confident	227 Å²	227	38.7 Å²	38.7	99%	0.987	20%	0.197	S	C	*	.	S	Bend	trans	-59.5	-18.6	179.6	-71.7	-174.5	177.8	-179.5	0	113.5
105	S	67.6	Low	89.3	Confident	78 Å²	78	38.6 Å²	38.6	55%	0.545	20%	0.197	S	C	.	.	S	Bend	trans	-122.7	146.8	171.1	53.2	0	0	0	0	107.1	S103 E107	S103-S105 CarbonylContact C-O 3.53Å; S103-S105 WeakPolarHBondContact CB-O 3.5Å; S103-S105 PolarHBondContact O-N 2.92Å; S103-S105 PolarHBondContact OG-O 2.77Å; S105-E107 PolarHBondContact O-N 3.37Å
106	D	74.6	Confident	89.3	Confident	73 Å²	73	39.8 Å²	39.8	39%	0.39	20%	0.204	S	C	.	.			trans	-58.4	78.5	173.9	-60.4	-68.6	0	0	0	111.2	V49 R53 L99 I108	V49-D106 HydrophobicContact CG1-CB 4.37Å; R53-D106 PolarHBondContact NH1-O 2.87Å; R53-D106 VanDerWaalsContact NH1-O 3.13Å; R53-D106 PolarHBondContact NH2-O 3.42Å; L99-D106 HydrophobicContact CD1-CB 4.09Å; L99-D106 HydrophobicContact CD2-CB 4.29Å; D106-I108 PolarHBondContact O-N 2.77Å
107	E	92.8	Very high	89.2	Confident	79 Å²	79	40.5 Å²	40.5	37%	0.369	21%	0.208	S	C	.	.			trans	-70.4	119.3	-174.7	-175.5	-174.2	-177.7	0	0	108.6	L99 R100 S103 S105 V109	L99-E107 CarbonylContact C-O 3.39Å; L99-E107 VanDerWaalsContact CA-O 3.28Å; L99-E107 WeakPolarHBondContact CA-O 3.36Å; R100-E107 HydrophobicContact CB-CB 4.16Å; R100-E107 WeakPolarHBondContact CD-OE2 3.29Å; R100-E107 IonicContact CZ-OE1 2.84Å; R100-E107 IonicContact CZ-OE2 3.97Å; R100-E107 PolarHBondContact N-O 3.41Å; R100-E107 IonicContact NE-OE2 3.84Å; R100-E107 IonicContact NH1-OE1 3.94Å; R100-E107 PolarHBondContact NH1-OE1 3.02Å; R100-E107 IonicContact NH1-OE2 3.74Å; R100-E107 PolarHBondContact NH1-OE2 2.81Å; S103-E107 PolarHBondContact OG-N 3.19Å; S105-E107 PolarHBondContact O-N 3.37Å; E107-V109 HydrophobicContact CG-CG1 4.34Å; E107-V109 PolarHBondContact O-N 3.34Å
108	I	95.4	Very high	89	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.062	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.1	177.3	-52.6	174.2	0	0	0	107.3	V49 L54 Y57 L99 D106 G110 A111	V49-I108 HydrophobicContact CB-CD1 4.38Å; V49-I108 HydrophobicContact CG1-CD1 4.43Å; V49-I108 HydrophobicContact CG1-CG1 4.33Å; V49-I108 HydrophobicContact CG2-CD1 4.05Å; L54-I108 HydrophobicContact CB-CD1 4.26Å; L54-I108 HydrophobicContact CD1-CD1 4.21Å; Y57-I108 HydrophobicContact CD1-CB 4.35Å; Y57-I108 HydrophobicContact CD1-CG2 3.52Å; Y57-I108 HydrophobicContact CD2-CB 3.85Å; Y57-I108 HydrophobicContact CD2-CG2 3.82Å; Y57-I108 WeakPolarHBondContact CD2-O 3.01Å; Y57-I108 HydrophobicContact CE1-CG2 3.72Å; Y57-I108 HydrophobicContact CE2-CB 4.29Å; Y57-I108 HydrophobicContact CE2-CG2 4Å; Y57-I108 WeakPolarHBondContact CE2-O 2.96Å; Y57-I108 HydrophobicContact CG-CB 3.9Å; Y57-I108 HydrophobicContact CG-CG2 3.59Å; L99-I108 HydrophobicContact CD2-CB 4.48Å; L99-I108 HydrophobicContact CD2-CG1 3.94Å; D106-I108 PolarHBondContact O-N 2.77Å; I108-G110 WeakPolarHBondContact CG2-O 3.38Å; I108-A111 HydrophobicContact CG2-CB 4.46Å
109	V	95.5	Very high	88.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-5.5	177.8	-61.3	0	0	0	0	112.1	F41 Y57 A98 R100 E107 D166 I170	F41-V109 HydrophobicContact CB-CG2 4.04Å; Y57-V109 PolarHBondContact OH-O 3.39Å; Y57-V109 VanDerWaalsContact OH-O 3.09Å; A98-V109 HydrophobicContact CB-CG2 3.81Å; A98-V109 WeakPolarHBondContact O-CG2 3.46Å; A98-V109 PolarHBondContact O-N 3.4Å; R100-V109 HydrophobicContact CB-CG1 3.86Å; R100-V109 VanDerWaalsContact CZ-CG1 3.47Å; R100-V109 VanDerWaalsContact NH2-CG1 3.33Å; E107-V109 HydrophobicContact CG-CG1 4.34Å; E107-V109 PolarHBondContact O-N 3.34Å; V109-D166 PolarHBondContact O-N 3.28Å; V109-I170 HydrophobicContact CB-CD1 3.89Å; V109-I170 HydrophobicContact CG2-CD1 3.76Å
110	G	96.9	Very high	88.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	144.8	179.6	0	0	0	0	0	111.6	Y57 I97 A98 I108 G164	Y57-G110 VanDerWaalsContact OH-CA 3.29Å; Y57-G110 WeakPolarHBondContact OH-CA 2.99Å; Y57-G110 PolarHBondContact OH-N 2.9Å; I97-G110 CarbonylContact C-O 3.58Å; I97-G110 WeakPolarHBondContact CA-O 3.37Å; A98-G110 PolarHBondContact N-O 3.06Å; A98-G110 PolarHBondContact O-N 3.03Å; I108-G110 WeakPolarHBondContact CG2-O 3.38Å; G110-G164 CarbonylContact C-O 3.56Å; G110-G164 VanDerWaalsContact CA-O 3.28Å; G110-G164 WeakPolarHBondContact CA-O 3.3Å
111	A	97.3	Very high	88.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	143	170.2	0	0	0	0	0	110.4	L54 Y57 L58 I97 I108 R163 G164	L54-A111 HydrophobicContact CD1-CB 3.49Å; L54-A111 VanDerWaalsContact CD1-CB 3.49Å; Y57-A111 HydrophobicContact CD1-CB 4.05Å; Y57-A111 HydrophobicContact CE1-CB 3.88Å; L58-A111 HydrophobicContact CD1-CB 4.37Å; L58-A111 HydrophobicContact CD2-CB 3.75Å; L58-A111 HydrophobicContact CG-CB 4.07Å; I97-A111 HydrophobicContact CG2-CB 4.17Å; I108-A111 HydrophobicContact CG2-CB 4.46Å; A111-R163 VanDerWaalsContact O-CA 3.31Å; A111-R163 WeakPolarHBondContact O-CA 3.45Å; A111-R163 WeakPolarHBondContact O-CG 3.29Å; A111-G164 PolarHBondContact N-O 2.67Å; A111-G164 PolarHBondContact O-N 2.69Å
112	N	97.2	Very high	88.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.2	172.7	-175.3	35.5	0	0	0	109.1	S95 P96 S160 R163 L174 T178	S95-N112 CarbonylContact C-O 3.55Å; S95-N112 WeakPolarHBondContact CA-O 3.43Å; S95-N112 WeakPolarHBondContact CB-O 3.37Å; P96-N112 HydrophobicContact CG-CB 4.24Å; P96-N112 PolarHBondContact O-N 3.35Å; N112-S160 PolarHBondContact ND2-OG 3.37Å; N112-S160 VanDerWaalsContact OD1-CB 3.26Å; N112-S160 WeakPolarHBondContact OD1-CB 3.35Å; N112-S160 PolarHBondContact OD1-OG 2.91Å; N112-R163 HydrophobicContact CB-CB 4.43Å; N112-R163 HydrophobicContact CB-CG 3.95Å; N112-R163 WeakPolarHBondContact OD1-CB 3.4Å; N112-L174 HydrophobicContact CB-CB 4.37Å; N112-T178 PolarHBondContact ND2-OG1 2.68Å
113	L	96.1	Very high	89.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.3	169.1	-55.9	-177.9	0	0	0	109.6	L54 L58 W87 A90 L115 L162	L54-L113 HydrophobicContact CD2-CD2 4.37Å; L58-L113 HydrophobicContact CD1-CD1 3.51Å; L58-L113 HydrophobicContact CD1-CD2 4.14Å; L58-L113 HydrophobicContact CD1-CG 3.59Å; W87-L113 HydrophobicContact CB-CD1 4.22Å; A90-L113 HydrophobicContact CB-CB 4.29Å; A90-L113 HydrophobicContact CB-CD2 4.31Å; L113-L115 HydrophobicContact CB-CD1 4.25Å; L113-L162 HydrophobicContact CB-CB 4.13Å; L113-L162 HydrophobicContact CD1-CB 4.21Å; L113-L162 HydrophobicContact CD1-CD1 4.09Å; L113-L162 HydrophobicContact CG-CB 4.38Å; L113-L162 PolarHBondContact N-O 3.44Å
114	V	96.7	Very high	90.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.2	176.2	179.7	0	0	0	0	109.4	A90 N91 M94 S95 Y158 I159 T178	A90-V114 CarbonylContact C-O 3.53Å; A90-V114 WeakPolarHBondContact CA-O 3.36Å; N91-V114 PolarHBondContact N-O 2.91Å; M94-V114 HydrophobicContact CB-CB 3.91Å; M94-V114 HydrophobicContact CB-CG1 3.95Å; M94-V114 HydrophobicContact CB-CG2 4.17Å; M94-V114 WeakPolarHBondContact O-CG2 3.5Å; M94-V114 HydrophobicContact SD-CG1 4.3Å; S95-V114 PolarHBondContact OG-N 3.34Å; V114-Y158 HydrophobicContact CG1-CD1 4.14Å; V114-Y158 HydrophobicContact CG1-CG 4.42Å; V114-I159 WeakPolarHBondContact CA-O 3.45Å; V114-T178 HydrophobicContact CG2-CG2 3.58Å
115	L	95.7	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.8	-179.2	-55.9	100.2	0	0	0	110.7	A86 E89 L113 I119 M123 Y158 I159 I161	A86-L115 HydrophobicContact CB-CD2 3.98Å; A86-L115 VanDerWaalsContact O-CD2 3.29Å; A86-L115 WeakPolarHBondContact O-CD2 3.09Å; E89-L115 HydrophobicContact CB-CD2 4.19Å; L113-L115 HydrophobicContact CB-CD1 4.25Å; L115-I119 HydrophobicContact CB-CD1 3.88Å; L115-I119 HydrophobicContact CB-CG1 4.22Å; L115-I119 HydrophobicContact CD2-CD1 3.72Å; L115-I119 HydrophobicContact CD2-CG1 4.45Å; L115-I119 HydrophobicContact CG-CD1 4.44Å; L115-M123 HydrophobicContact CD2-CE 4.03Å; L115-M123 HydrophobicContact CD2-SD 4.27Å; L115-Y158 CarbonylContact O-C 3.5Å; L115-Y158 WeakPolarHBondContact O-CA 3.09Å; L115-I159 HydrophobicContact CB-CG1 4.35Å; L115-I159 PolarHBondContact N-O 2.98Å; L115-I159 WeakPolarHBondContact O-CG1 3.5Å; L115-I159 PolarHBondContact O-N 2.93Å; L115-I161 HydrophobicContact CD1-CG2 3.74Å
116	P	94.9	Very high	93.3	Very high	26 Å²	26	38 Å²	38	17%	0.169	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	138.1	165	-22.4	34.9	0	0	0	111.2	N118 I119 G157 Y158	P116-N118 WeakPolarHBondContact CB-OD1 3.05Å; P116-N118 PolarHBondContact O-N 3.08Å; P116-I119 HydrophobicContact CB-CG2 4.25Å; P116-I119 HydrophobicContact CG-CG2 4.49Å; P116-I119 VanDerWaalsContact O-CG1 3.23Å; P116-I119 WeakPolarHBondContact O-CG1 3.07Å; P116-I119 PolarHBondContact O-N 3.49Å; P116-G157 CarbonylContact C-O 3.51Å; P116-G157 WeakPolarHBondContact CA-O 3.28Å; P116-Y158 HydrophobicContact CG-CE1 4.34Å
117	V	94.3	Very high	94.1	Very high	20 Å²	20	37.4 Å²	37.4	12%	0.121	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.4	-33.8	-179	172.4	0	0	0	0	111.7	I119 L120 G157 I159 F193	V117-I119 PolarHBondContact O-N 2.85Å; V117-L120 HydrophobicContact CG1-CD1 4.47Å; V117-L120 WeakPolarHBondContact O-CB 3.44Å; V117-L120 WeakPolarHBondContact O-CG 2.79Å; V117-L120 PolarHBondContact O-N 3.48Å; V117-G157 PolarHBondContact N-O 3.28Å; V117-I159 HydrophobicContact CG2-CB 4.44Å; V117-I159 HydrophobicContact CG2-CG1 4.2Å; V117-I159 HydrophobicContact CG2-CG2 3.59Å; V117-F193 HydrophobicContact CG2-CD2 4.44Å
118	N	92.3	Very high	93.9	Very high	99 Å²	99	37.5 Å²	37.5	53%	0.529	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.6	-20.3	-177.3	63.6	-44.5	0	0	0	113.8	P116 L120 K121	P116-N118 WeakPolarHBondContact CB-OD1 3.05Å; P116-N118 PolarHBondContact O-N 3.08Å; N118-L120 VanDerWaalsContact C-N 3.32Å; N118-K121 WeakPolarHBondContact O-CE 3.18Å; N118-K121 WeakPolarHBondContact O-CG 3.32Å
119	I	93.3	Very high	93.8	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.118	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-80.6	-15.3	178.8	69.9	53.4	0	0	0	112.6	E89 L115 P116 V117 K121 D122 M123	E89-I119 HydrophobicContact CB-CD1 4.47Å; E89-I119 HydrophobicContact CB-CG1 4.13Å; L115-I119 HydrophobicContact CB-CD1 3.88Å; L115-I119 HydrophobicContact CB-CG1 4.22Å; L115-I119 HydrophobicContact CD2-CD1 3.72Å; L115-I119 HydrophobicContact CD2-CG1 4.45Å; L115-I119 HydrophobicContact CG-CD1 4.44Å; P116-I119 HydrophobicContact CB-CG2 4.25Å; P116-I119 HydrophobicContact CG-CG2 4.49Å; P116-I119 VanDerWaalsContact O-CG1 3.23Å; P116-I119 WeakPolarHBondContact O-CG1 3.07Å; P116-I119 PolarHBondContact O-N 3.49Å; V117-I119 PolarHBondContact O-N 2.85Å; I119-K121 VanDerWaalsContact C-N 3.25Å; I119-K121 PolarHBondContact O-N 3.3Å; I119-D122 PolarHBondContact O-N 3.46Å; I119-M123 HydrophobicContact CD1-CG 3.65Å; I119-M123 HydrophobicContact CD1-SD 3.5Å; I119-M123 WeakPolarHBondContact CD1-SD 3.34Å; I119-M123 WeakPolarHBondContact O-CG 3.34Å; I119-M123 PolarHBondContact O-N 3.09Å
120	L	92.8	Very high	93.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-57.4	-40	-170.5	-74.7	-179.4	0	0	0	112.8	V117 N118 D122 M123 L133 I137 Y140 I159	V117-L120 HydrophobicContact CG1-CD1 4.47Å; V117-L120 WeakPolarHBondContact O-CB 3.44Å; V117-L120 WeakPolarHBondContact O-CG 2.79Å; V117-L120 PolarHBondContact O-N 3.48Å; N118-L120 VanDerWaalsContact C-N 3.32Å; L120-D122 PolarHBondContact O-N 2.88Å; L120-M123 HydrophobicContact CD2-SD 3.62Å; L120-M123 PolarHBondContact O-N 3.17Å; L120-L133 HydrophobicContact CD2-CD2 4.02Å; L120-I137 HydrophobicContact CB-CD1 3.86Å; L120-I137 HydrophobicContact CB-CG1 3.75Å; L120-I137 HydrophobicContact CD1-CG1 3.87Å; L120-Y140 HydrophobicContact CD1-CD2 3.85Å; L120-Y140 HydrophobicContact CD1-CE2 3.92Å; L120-I159 HydrophobicContact CD1-CD1 3.61Å; L120-I159 HydrophobicContact CD2-CD1 3.41Å; L120-I159 VanDerWaalsContact CD2-CD1 3.41Å; L120-I159 HydrophobicContact CG-CD1 3.73Å
121	K	93	Very high	93.4	Very high	149 Å²	149	42.4 Å²	42.4	65%	0.648	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-66.9	-20.3	178.2	49.6	167.2	-176	170.5	0	114	N118 I119 I137	N118-K121 WeakPolarHBondContact O-CE 3.18Å; N118-K121 WeakPolarHBondContact O-CG 3.32Å; I119-K121 VanDerWaalsContact C-N 3.25Å; I119-K121 PolarHBondContact O-N 3.3Å; K121-I137 HydrophobicContact CB-CD1 4.14Å
122	D	92.9	Very high	93.1	Very high	124 Å²	124	43.4 Å²	43.4	66%	0.663	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-103	-2	-176	-55.5	-43.8	0	0	0	111.6	I119 L120	I119-D122 PolarHBondContact O-N 3.46Å; L120-D122 PolarHBondContact O-N 2.88Å
123	M	91.9	Very high	92.9	Very high	20 Å²	20	43.8 Å²	43.8	10%	0.099	24%	0.244	C	C	.	.	S	Bend	trans	-71.9	147.4	-179.6	-66.8	-179.3	73.6	0	0	112.1	H82 A86 L115 I119 L120 A125 L133	H82-M123 WeakPolarHBondContact CE1-CE 3.31Å; A86-M123 HydrophobicContact CB-CE 3.25Å; L115-M123 HydrophobicContact CD2-CE 4.03Å; L115-M123 HydrophobicContact CD2-SD 4.27Å; I119-M123 HydrophobicContact CD1-CG 3.65Å; I119-M123 HydrophobicContact CD1-SD 3.5Å; I119-M123 WeakPolarHBondContact CD1-SD 3.34Å; I119-M123 WeakPolarHBondContact O-CG 3.34Å; I119-M123 PolarHBondContact O-N 3.09Å; L120-M123 HydrophobicContact CD2-SD 3.62Å; L120-M123 PolarHBondContact O-N 3.17Å; M123-A125 PolarHBondContact O-N 3.31Å; M123-L133 HydrophobicContact CB-CD1 4.15Å
124	Y	92.6	Very high	92.8	Very high	106 Å²	106	48.2 Å²	48.2	42%	0.416	27%	0.268	S	S	.	.			trans	-61.1	111.8	165.6	177.1	-97.5	0	0	0	110.2	T81 H82 F85 P126	T81-Y124 HydrophobicContact CG2-CD1 3.63Å; T81-Y124 HydrophobicContact CG2-CE1 3.34Å; T81-Y124 HydrophobicContact CG2-CG 4.41Å; H82-Y124 PolarHBondContact ND1-O 2.82Å; F85-Y124 HydrophobicContact CD2-CD1 4.09Å; F85-Y124 AromaticContact CD2-CG 3.89Å; F85-Y124 HydrophobicContact CD2-CG 3.89Å; F85-Y124 HydrophobicContact CE2-CG 4.2Å; Y124-P126 HydrophobicContact CD1-CG 4.38Å; Y124-P126 HydrophobicContact CE1-CG 3.58Å
125	A	92.5	Very high	92.6	Very high	26 Å²	26	48.7 Å²	48.7	22%	0.215	27%	0.27	C	S	.	.			trans	-142.8	80.5	-172.6	0	0	0	0	0	111.1	M123 I129 A130 L133	M123-A125 PolarHBondContact O-N 3.31Å; A125-I129 HydrophobicContact CB-CB 4.27Å; A125-I129 HydrophobicContact CB-CG2 3.76Å; A125-A130 HydrophobicContact CB-CB 4.38Å; A125-A130 WeakPolarHBondContact O-CB 3.41Å; A125-L133 HydrophobicContact CB-CD1 3.46Å; A125-L133 VanDerWaalsContact CB-CD1 3.46Å; A125-L133 HydrophobicContact CB-CG 4.43Å
126	P	91.3	Very high	92.5	Very high	37 Å²	37	48.7 Å²	48.7	24%	0.24	27%	0.27	C	S	.	.			trans	-76.7	142.8	180	31.6	-37.4	0	0	0	111.9	Y124 L128 I129	Y124-P126 HydrophobicContact CD1-CG 4.38Å; Y124-P126 HydrophobicContact CE1-CG 3.58Å; P126-L128 PolarHBondContact O-N 3.4Å; P126-I129 HydrophobicContact CG-CD1 4.34Å; P126-I129 WeakPolarHBondContact O-CB 3.49Å; P126-I129 PolarHBondContact O-N 3.14Å
127	G	89.7	Confident	92.5	Very high	59 Å²	59	49.2 Å²	49.2	61%	0.608	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	-130.3	172.1	0	0	0	0	0	112.7	I129 A130	G127-I129 PolarHBondContact O-N 2.92Å; G127-A130 VanDerWaalsContact O-CB 3.31Å; G127-A130 WeakPolarHBondContact O-CB 3.38Å; G127-A130 PolarHBondContact O-N 2.99Å
128	L	90.4	Very high	92.5	Very high	81 Å²	81	53 Å²	53	42%	0.424	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-19	-177.2	-67	166.7	0	0	0	114.1	F72 I74 P126 A130 D131 I132	F72-L128 HydrophobicContact CB-CD1 4.33Å; F72-L128 WeakPolarHBondContact O-CD1 3.26Å; I74-L128 HydrophobicContact CG1-CB 4.43Å; P126-L128 PolarHBondContact O-N 3.4Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-D131 PolarHBondContact O-N 3.21Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.38Å; L128-I132 PolarHBondContact O-N 3.42Å; L128-I132 VanDerWaalsContact O-N 3.09Å
129	I	92.1	Very high	92.6	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-39	172.8	-58.8	177.7	0	0	0	109.8	I74 H82 A125 P126 G127 I132 L133	I74-I129 HydrophobicContact CD1-CG1 4.11Å; I74-I129 HydrophobicContact CG2-CD1 3.83Å; I74-I129 HydrophobicContact CG2-CG1 3.79Å; H82-I129 HydrophobicContact CB-CD1 3.8Å; H82-I129 HydrophobicContact CB-CG2 4.45Å; A125-I129 HydrophobicContact CB-CB 4.27Å; A125-I129 HydrophobicContact CB-CG2 3.76Å; P126-I129 HydrophobicContact CG-CD1 4.34Å; P126-I129 WeakPolarHBondContact O-CB 3.49Å; P126-I129 PolarHBondContact O-N 3.14Å; G127-I129 PolarHBondContact O-N 2.92Å; I129-I132 PolarHBondContact O-N 3.11Å; I129-L133 HydrophobicContact CG2-CD1 4.47Å; I129-L133 HydrophobicContact CG2-CG 4.46Å; I129-L133 WeakPolarHBondContact O-CG 3.26Å; I129-L133 PolarHBondContact O-N 3.27Å
130	A	93	Very high	92.6	Very high	32 Å²	32	47.3 Å²	47.3	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-48.1	175.2	0	0	0	0	0	111.1	A125 G127 L128 I132 L133 D134	A125-A130 HydrophobicContact CB-CB 4.38Å; A125-A130 WeakPolarHBondContact O-CB 3.41Å; G127-A130 VanDerWaalsContact O-CB 3.31Å; G127-A130 WeakPolarHBondContact O-CB 3.38Å; G127-A130 PolarHBondContact O-N 2.99Å; L128-A130 VanDerWaalsContact C-N 3.3Å; A130-I132 VanDerWaalsContact C-N 3.29Å; A130-I132 PolarHBondContact O-N 2.98Å; A130-L133 PolarHBondContact O-N 3.2Å; A130-D134 PolarHBondContact O-N 2.69Å
131	D	91.8	Very high	92.7	Very high	79 Å²	79	51.7 Å²	51.7	42%	0.422	29%	0.287	S	S	.	.	H	α-helix	trans	-59.7	-40.4	-179.8	-59.1	-33.9	0	0	0	111.8	L128 D134 F135 L231	L128-D131 PolarHBondContact O-N 3.21Å; D131-D134 PolarHBondContact O-N 3.34Å; D131-F135 WeakPolarHBondContact O-CB 3.34Å; D131-F135 PolarHBondContact O-N 2.92Å; D131-L231 HydrophobicContact CB-CD2 4.3Å
132	I	91.5	Very high	92.7	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-41.6	175.6	-67.9	163.7	0	0	0	111.3	F72 I74 L128 I129 A130 A136 W228 L231	F72-I132 HydrophobicContact CD2-CD1 3.59Å; F72-I132 HydrophobicContact CD2-CG1 3.98Å; F72-I132 HydrophobicContact CE2-CD1 4.27Å; F72-I132 HydrophobicContact CE2-CG1 4.23Å; F72-I132 HydrophobicContact CG-CD1 4.37Å; I74-I132 HydrophobicContact CD1-CD1 3.6Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.38Å; L128-I132 PolarHBondContact O-N 3.42Å; L128-I132 VanDerWaalsContact O-N 3.09Å; I129-I132 PolarHBondContact O-N 3.11Å; A130-I132 VanDerWaalsContact C-N 3.29Å; A130-I132 PolarHBondContact O-N 2.98Å; I132-A136 VanDerWaalsContact O-CB 3.31Å; I132-A136 WeakPolarHBondContact O-CB 3.45Å; I132-A136 PolarHBondContact O-N 3.5Å; I132-W228 HydrophobicContact CG2-CH2 4.4Å; I132-W228 HydrophobicContact CG2-CZ3 4.22Å; I132-L231 HydrophobicContact CG1-CD1 4.11Å
133	L	93.1	Very high	92.7	Very high	8 Å²	8	44 Å²	44	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-42.3	177.5	-70.8	-174.5	0	0	0	111.6	L120 M123 A125 I129 A130 F135 A136 I137 I161	L120-L133 HydrophobicContact CD2-CD2 4.02Å; M123-L133 HydrophobicContact CB-CD1 4.15Å; A125-L133 HydrophobicContact CB-CD1 3.46Å; A125-L133 VanDerWaalsContact CB-CD1 3.46Å; A125-L133 HydrophobicContact CB-CG 4.43Å; I129-L133 HydrophobicContact CG2-CD1 4.47Å; I129-L133 HydrophobicContact CG2-CG 4.46Å; I129-L133 WeakPolarHBondContact O-CG 3.26Å; I129-L133 PolarHBondContact O-N 3.27Å; A130-L133 PolarHBondContact O-N 3.2Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 PolarHBondContact O-N 3.34Å; L133-A136 CarbonylContact O-C 3.6Å; L133-A136 PolarHBondContact O-N 2.92Å; L133-A136 VanDerWaalsContact O-N 3.13Å; L133-I137 WeakPolarHBondContact O-CB 3.36Å; L133-I137 WeakPolarHBondContact O-CD1 3.32Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 3.41Å; L133-I161 HydrophobicContact CD2-CD1 4.48Å
134	D	93.6	Very high	92.7	Very high	94 Å²	94	46.5 Å²	46.5	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-45.6	177	-78.2	-14.3	0	0	0	111.3	A130 D131 A136 I137 N138	A130-D134 PolarHBondContact O-N 2.69Å; D131-D134 PolarHBondContact O-N 3.34Å; D134-A136 PolarHBondContact O-N 3.46Å; D134-I137 PolarHBondContact O-N 3.4Å; D134-N138 WeakPolarHBondContact O-CB 3.48Å; D134-N138 VanDerWaalsContact O-CG 3.25Å; D134-N138 PolarHBondContact O-N 2.61Å; D134-N138 PolarHBondContact O-ND2 3.31Å; D134-N138 VanDerWaalsContact O-ND2 3.13Å
135	F	92.7	Very high	92.6	Very high	11 Å²	11	42 Å²	42	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-56.8	-49.3	171	167.7	-92.9	0	0	0	111.8	D131 L133 I137 N138 C139 P225 C226 N227 W228 L231	D131-F135 WeakPolarHBondContact O-CB 3.34Å; D131-F135 PolarHBondContact O-N 2.92Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 PolarHBondContact O-N 3.34Å; F135-I137 PolarHBondContact O-N 3.14Å; F135-N138 PolarHBondContact O-N 3.28Å; F135-C139 WeakPolarHBondContact O-CB 3.44Å; F135-C139 PolarHBondContact O-N 3.32Å; F135-P225 VanDerWaalsContact CE2-O 3.27Å; F135-P225 WeakPolarHBondContact CE2-O 3.43Å; F135-C226 VanDerWaalsContact CZ-C 3.48Å; F135-N227 VanDerWaalsContact CE2-O 3.31Å; F135-N227 WeakPolarHBondContact CE2-O 3.08Å; F135-W228 HydrophobicContact CD1-CD2 4.39Å; F135-W228 HydrophobicContact CD1-CE3 4.1Å; F135-W228 AromaticContact CD1-CH2 3.85Å; F135-W228 HydrophobicContact CD1-CH2 3.85Å; F135-W228 HydrophobicContact CD1-CZ2 4.21Å; F135-W228 AromaticContact CD1-CZ3 3.82Å; F135-W228 HydrophobicContact CD1-CZ3 3.82Å; F135-W228 AromaticContact CE1-CD2 3.54Å; F135-W228 HydrophobicContact CE1-CD2 3.54Å; F135-W228 AromaticContact CE1-CE2 3.48Å; F135-W228 VanDerWaalsContact CE1-CE2 3.48Å; F135-W228 AromaticContact CE1-CE3 3.69Å; F135-W228 HydrophobicContact CE1-CE3 3.69Å; F135-W228 HydrophobicContact CE1-CG 4.14Å; F135-W228 AromaticContact CE1-CH2 3.65Å; F135-W228 HydrophobicContact CE1-CH2 3.65Å; F135-W228 AromaticContact CE1-CZ2 3.55Å; F135-W228 HydrophobicContact CE1-CZ2 3.55Å; F135-W228 AromaticContact CE1-CZ3 3.75Å; F135-W228 HydrophobicContact CE1-CZ3 3.75Å; F135-W228 AromaticContact CZ-CD2 3.92Å; F135-W228 HydrophobicContact CZ-CD2 3.92Å; F135-W228 HydrophobicContact CZ-CE3 4.32Å; F135-W228 HydrophobicContact CZ-CG 4.03Å; F135-L231 HydrophobicContact CB-CD1 3.7Å; F135-L231 HydrophobicContact CB-CD2 4.01Å; F135-L231 HydrophobicContact CB-CG 4.02Å; F135-L231 HydrophobicContact CD1-CD1 3.72Å; F135-L231 HydrophobicContact CD2-CD1 4.21Å; F135-L231 HydrophobicContact CD2-CG 4.18Å; F135-L231 HydrophobicContact CE1-CD1 4.43Å; F135-L231 HydrophobicContact CG-CD1 3.59Å; F135-L231 HydrophobicContact CG-CG 3.98Å
136	A	93.1	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-43.3	-178.3	0	0	0	0	0	111.7	I132 L133 D134 N138 C139 Y140 I161	I132-A136 VanDerWaalsContact O-CB 3.31Å; I132-A136 WeakPolarHBondContact O-CB 3.45Å; I132-A136 PolarHBondContact O-N 3.5Å; L133-A136 CarbonylContact O-C 3.6Å; L133-A136 PolarHBondContact O-N 2.92Å; L133-A136 VanDerWaalsContact O-N 3.13Å; D134-A136 PolarHBondContact O-N 3.46Å; A136-N138 VanDerWaalsContact C-N 3.35Å; A136-N138 PolarHBondContact O-N 2.88Å; A136-C139 PolarHBondContact O-N 3.32Å; A136-Y140 HydrophobicContact CB-CD2 4.27Å; A136-Y140 HydrophobicContact CB-CE2 3.78Å; A136-Y140 WeakPolarHBondContact O-CB 3.43Å; A136-Y140 WeakPolarHBondContact O-CD2 3.09Å; A136-Y140 PolarHBondContact O-N 2.9Å; A136-I161 HydrophobicContact CB-CD1 4.49Å
137	I	94.3	Very high	91.4	Very high	36 Å²	36	50 Å²	50	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-45.8	176.4	-71	162.3	0	0	0	110.3	L120 K121 L133 D134 F135 Y140 T141	L120-I137 HydrophobicContact CB-CD1 3.86Å; L120-I137 HydrophobicContact CB-CG1 3.75Å; L120-I137 HydrophobicContact CD1-CG1 3.87Å; K121-I137 HydrophobicContact CB-CD1 4.14Å; L133-I137 WeakPolarHBondContact O-CB 3.36Å; L133-I137 WeakPolarHBondContact O-CD1 3.32Å; L133-I137 WeakPolarHBondContact O-CG1 3.25Å; L133-I137 PolarHBondContact O-N 3.41Å; D134-I137 PolarHBondContact O-N 3.4Å; F135-I137 PolarHBondContact O-N 3.14Å; I137-Y140 PolarHBondContact O-N 3.15Å; I137-T141 VanDerWaalsContact O-CB 3.25Å; I137-T141 WeakPolarHBondContact O-CB 3.33Å; I137-T141 PolarHBondContact O-N 3.12Å; I137-T141 PolarHBondContact O-OG1 3.06Å
138	N	94.3	Very high	90.4	Very high	101 Å²	101	51 Å²	51	54%	0.54	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-45.6	177.5	-73.2	-30.2	0	0	0	111.6	D134 F135 A136 T141 W142	D134-N138 WeakPolarHBondContact O-CB 3.48Å; D134-N138 VanDerWaalsContact O-CG 3.25Å; D134-N138 PolarHBondContact O-N 2.61Å; D134-N138 PolarHBondContact O-ND2 3.31Å; D134-N138 VanDerWaalsContact O-ND2 3.13Å; F135-N138 PolarHBondContact O-N 3.28Å; A136-N138 VanDerWaalsContact C-N 3.35Å; A136-N138 PolarHBondContact O-N 2.88Å; N138-T141 PolarHBondContact O-N 3.25Å; N138-W142 PolarHBondContact O-N 3.33Å
139	C	94.2	Very high	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-49.3	175	170.8	0	0	0	0	112.2	F135 A136 T141 W142 A143 C226	F135-C139 WeakPolarHBondContact O-CB 3.44Å; F135-C139 PolarHBondContact O-N 3.32Å; A136-C139 PolarHBondContact O-N 3.32Å; C139-T141 PolarHBondContact O-N 3.17Å; C139-W142 PolarHBondContact O-N 2.94Å; C139-A143 VanDerWaalsContact O-CB 3.26Å; C139-A143 WeakPolarHBondContact O-CB 3.23Å; C139-A143 PolarHBondContact O-N 3.49Å; C139-C226 WeakPolarHBondContact CA-SG 3.3Å; C139-C226 HydrophobicContact CB-CB 3.96Å; C139-C226 WeakPolarHBondContact CB-SG 3.4Å; C139-C226 VanDerWaalsContact SG-CA 3.59Å; C139-C226 WeakPolarHBondContact SG-CB 3.46Å; C139-C226 CovalentContact SG-SG 2.03Å; C139-C226 PolarHBondContact SG-SG 3.13Å
140	Y	94.9	Very high	88.6	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-35.4	-179.4	-63.2	-40.7	0	0	0	112.9	L120 A136 I137 A143 K144 I159 F193 W195 L243	L120-Y140 HydrophobicContact CD1-CD2 3.85Å; L120-Y140 HydrophobicContact CD1-CE2 3.92Å; A136-Y140 HydrophobicContact CB-CD2 4.27Å; A136-Y140 HydrophobicContact CB-CE2 3.78Å; A136-Y140 WeakPolarHBondContact O-CB 3.43Å; A136-Y140 WeakPolarHBondContact O-CD2 3.09Å; A136-Y140 PolarHBondContact O-N 2.9Å; I137-Y140 PolarHBondContact O-N 3.15Å; Y140-A143 PolarHBondContact O-N 2.85Å; Y140-K144 PolarHBondContact O-N 2.92Å; Y140-I159 HydrophobicContact CD1-CG2 4.17Å; Y140-I159 HydrophobicContact CD2-CG2 3.91Å; Y140-I159 HydrophobicContact CE1-CG2 3.83Å; Y140-I159 HydrophobicContact CE2-CB 4.42Å; Y140-I159 HydrophobicContact CE2-CD1 4.14Å; Y140-I159 HydrophobicContact CE2-CG2 3.55Å; Y140-I159 HydrophobicContact CG-CG2 4.22Å; Y140-I159 VanDerWaalsContact CZ-CG2 3.49Å; Y140-F193 HydrophobicContact CD1-CB 4.23Å; Y140-F193 AromaticContact CD1-CD2 3.54Å; Y140-F193 HydrophobicContact CD1-CD2 3.54Å; Y140-F193 AromaticContact CD1-CE2 3.95Å; Y140-F193 HydrophobicContact CD1-CE2 3.95Å; Y140-F193 AromaticContact CD1-CG 3.92Å; Y140-F193 HydrophobicContact CD1-CG 3.92Å; Y140-F193 HydrophobicContact CE1-CB 3.99Å; Y140-F193 HydrophobicContact CE1-CD2 4.16Å; Y140-F193 HydrophobicContact CE1-CG 4.18Å; Y140-F193 HydrophobicContact CG-CD2 4.05Å; Y140-F193 HydrophobicContact CG-CE2 4.26Å; Y140-W195 AromaticContact CE1-NE1 3.69Å; Y140-W195 AromaticContact CZ-NE1 3.61Å; Y140-W195 VanDerWaalsContact OH-CD1 3.29Å; Y140-W195 PolarHBondContact OH-NE1 3.46Å; Y140-L243 HydrophobicContact CD1-CD1 4.38Å; Y140-L243 HydrophobicContact CD1-CD2 4.31Å; Y140-L243 HydrophobicContact CE1-CD1 3.82Å; Y140-L243 HydrophobicContact CE1-CD2 4.47Å
141	T	93.5	Very high	87.6	Confident	93 Å²	93	59 Å²	59	57%	0.571	32%	0.316	S	S	*	.	H	α-helix	trans	-62.6	-45.3	174.9	-62.1	0	0	0	0	110.6	I137 N138 C139 K144	I137-T141 VanDerWaalsContact O-CB 3.25Å; I137-T141 WeakPolarHBondContact O-CB 3.33Å; I137-T141 PolarHBondContact O-N 3.12Å; I137-T141 PolarHBondContact O-OG1 3.06Å; N138-T141 PolarHBondContact O-N 3.25Å; C139-T141 PolarHBondContact O-N 3.17Å; T141-K144 WeakPolarHBondContact O-CB 3.38Å; T141-K144 PolarHBondContact O-N 3.05Å
142	W	92.9	Very high	86.5	Confident	110 Å²	110	65.8 Å²	65.8	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-39.7	174.7	175.8	86.1	0	0	0	112.6	N138 C139 K144 I214 I215 P225	N138-W142 PolarHBondContact O-N 3.33Å; C139-W142 PolarHBondContact O-N 2.94Å; W142-K144 PolarHBondContact O-N 3.16Å; W142-I214 HydrophobicContact CH2-CG2 4.49Å; W142-I214 HydrophobicContact CZ3-CG2 3.88Å; W142-I215 HydrophobicContact CH2-CB 4.46Å; W142-I215 HydrophobicContact CH2-CD1 4.17Å; W142-I215 HydrophobicContact CZ3-CB 4.23Å; W142-I215 HydrophobicContact CZ3-CG2 4.19Å; W142-P225 HydrophobicContact CB-CB 4.2Å; W142-P225 HydrophobicContact CB-CG 3.86Å; W142-P225 HydrophobicContact CD2-CG 4.04Å; W142-P225 HydrophobicContact CG-CB 4.39Å; W142-P225 HydrophobicContact CG-CG 3.61Å
143	A	93.6	Very high	85.6	Confident	3 Å²	3	67.2 Å²	67.2	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-77.9	-3.9	-178.6	0	0	0	0	0	113.9	C139 Y140 F193 I214 L243 R245	C139-A143 VanDerWaalsContact O-CB 3.26Å; C139-A143 WeakPolarHBondContact O-CB 3.23Å; C139-A143 PolarHBondContact O-N 3.49Å; Y140-A143 PolarHBondContact O-N 2.85Å; A143-F193 HydrophobicContact CB-CE1 3.75Å; A143-F193 HydrophobicContact CB-CZ 3.69Å; A143-F193 WeakPolarHBondContact O-CZ 3.46Å; A143-I214 HydrophobicContact CB-CG2 4.06Å; A143-L243 HydrophobicContact CB-CD2 3.6Å; A143-R245 PolarHBondContact O-NH1 3.3Å
144	K	92.6	Very high	85.1	Confident	72 Å²	72	71.5 Å²	71.5	31%	0.313	39%	0.385	S	S	.	.	S	Bend	trans	-57.2	140.1	-180	-173.7	179.8	178.5	178.7	0	110.4	Y140 T141 W142 I146 Y191	Y140-K144 PolarHBondContact O-N 2.92Å; T141-K144 WeakPolarHBondContact O-CB 3.38Å; T141-K144 PolarHBondContact O-N 3.05Å; W142-K144 PolarHBondContact O-N 3.16Å; K144-I146 PolarHBondContact O-N 3.4Å; K144-Y191 HydrophobicContact CG-CE1 4.06Å
145	P	90.2	Very high	84.7	Confident	10 Å²	10	67.4 Å²	67.4	7%	0.065	36%	0.363	C	S	.	.			trans	-63.1	128.6	174.9	25.1	-32.7	0	0	0	111.1	I148 Y191 I247	P145-I148 HydrophobicContact CB-CD1 4.1Å; P145-Y191 HydrophobicContact CG-CD1 3.67Å; P145-Y191 HydrophobicContact CG-CE1 4.29Å; P145-Y191 HydrophobicContact CG-CG 3.97Å; P145-I247 HydrophobicContact CB-CD1 3.63Å; P145-I247 HydrophobicContact CB-CG1 4.4Å; P145-I247 HydrophobicContact CG-CD1 4.14Å; P145-I247 HydrophobicContact CG-CG1 4.4Å
146	I	82.4	Confident	84.6	Confident	153 Å²	153	68.9 Å²	68.9	79%	0.785	37%	0.374	S	S	*	.			trans	-106.3	133.3	176.9	-57.3	173.4	0	0	0	108.4	K144 I148	K144-I146 PolarHBondContact O-N 3.4Å; I146-I148 PolarHBondContact O-N 3.2Å
147	G	74.5	Confident	84.8	Confident	79 Å²	79	69.1 Å²	69.1	81%	0.814	38%	0.376	S	S	*	.	S	Bend	trans	74.7	16.4	168.8	0	0	0	0	0	116.4
148	I	69.7	Low	84.9	Confident	81 Å²	81	68.7 Å²	68.7	42%	0.415	37%	0.372	S	S	.	.			trans	-109.7	-4.3	-177.3	-55	170.4	0	0	0	112.2	P145 I146 K150 I247	P145-I148 HydrophobicContact CB-CD1 4.1Å; I146-I148 PolarHBondContact O-N 3.2Å; I148-K150 PolarHBondContact O-N 3.3Å; I148-I247 HydrophobicContact CD1-CD1 3.77Å; I148-I247 HydrophobicContact CG2-CD1 4.44Å
149	Q	70.3	Confident	85	Confident	98 Å²	98	63.9 Å²	63.9	46%	0.458	35%	0.347	S	S	.	.			trans	-67.4	119.1	-172.8	-66.3	169.4	19.9	0	0	111.5	P155	Q149-P155 HydrophobicContact CG-CG 4.06Å
150	K	75	Confident	85.1	Confident	147 Å²	147	64.1 Å²	64.1	64%	0.639	35%	0.348	S	S	*	.			trans	-88.6	-29	167.7	-62.3	179.2	-176.5	174.8	0	111.6	I148 T188 D189 T249	I148-K150 PolarHBondContact O-N 3.3Å; K150-T188 HydrophobicContact CD-CG2 4.43Å; K150-D189 WeakPolarHBondContact CA-OD2 3.13Å; K150-D189 VanDerWaalsContact N-CG 3.32Å; K150-D189 PolarHBondContact N-OD1 3.03Å; K150-D189 PolarHBondContact N-OD2 2.93Å; K150-T249 PolarHBondContact NZ-O 3.37Å
151	S	70.9	Confident	84.4	Confident	41 Å²	41	66 Å²	66	29%	0.287	36%	0.358	S	S	.	.	S	Bend	trans	-85.2	150.6	-179.9	-178.4	0	0	0	0	111.9	S153 D189	S151-S153 VanDerWaalsContact C-N 3.29Å; S151-S153 PolarHBondContact OG-N 2.9Å; S151-S153 PolarHBondContact OG-OG 2.62Å; S151-D189 VanDerWaalsContact CB-OD2 3.32Å; S151-D189 WeakPolarHBondContact CB-OD2 3.48Å; S151-D189 PolarHBondContact N-OD2 3.06Å
152	F	69.1	Low	84.2	Confident	221 Å²	221	62 Å²	62	97%	0.969	33%	0.333	S	S	*	.	S	Bend	trans	-77.9	-13.6	169.6	-66	-80	0	0	0	112.9
153	S	73.6	Confident	84.2	Confident	51 Å²	51	58.4 Å²	58.4	36%	0.357	32%	0.32	S	S	.	.	S	Bend	trans	-84.5	147.4	176.5	64	0	0	0	0	111.5	S151 Q187	S151-S153 VanDerWaalsContact C-N 3.29Å; S151-S153 PolarHBondContact OG-N 2.9Å; S151-S153 PolarHBondContact OG-OG 2.62Å; S153-Q187 PolarHBondContact OG-NE2 2.95Å
154	S	80.8	Confident	84.2	Confident	98 Å²	98	58.6 Å²	58.6	69%	0.685	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-61.7	128.6	171.9	-75.3	0	0	0	0	109.8	T156 Q187	S154-T156 PolarHBondContact O-N 3.46Å; S154-Q187 PolarHBondContact O-NE2 3.37Å
155	P	85.3	Confident	84.4	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.052	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.6	128.7	-178.1	25.3	-34	0	0	0	111.1	Q149 D189 Y191	Q149-P155 HydrophobicContact CG-CG 4.06Å; P155-D189 HydrophobicContact CB-CB 4.09Å; P155-D189 WeakPolarHBondContact CB-O 3.35Å; P155-Y191 HydrophobicContact CB-CD1 4.16Å; P155-Y191 HydrophobicContact CB-CE1 4.06Å; P155-Y191 HydrophobicContact CG-CE1 4.18Å
156	T	92.3	Very high	84.5	Confident	43 Å²	43	58.2 Å²	58.2	26%	0.264	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-73	126	173.8	-54.5	0	0	0	0	110.1	S154 Y158 A190 Y191	S154-T156 PolarHBondContact O-N 3.46Å; T156-Y158 HydrophobicContact CG2-CD2 4.29Å; T156-Y158 HydrophobicContact CG2-CE1 4.28Å; T156-Y158 HydrophobicContact CG2-CE2 3.65Å; T156-A190 VanDerWaalsContact O-CA 3.27Å; T156-A190 WeakPolarHBondContact O-CA 3.17Å; T156-A190 WeakPolarHBondContact O-CB 3.45Å; T156-Y191 PolarHBondContact O-N 3.41Å; T156-Y191 VanDerWaalsContact O-N 3.1Å
157	G	95.4	Very high	85.1	Confident	5 Å²	5	54.3 Å²	54.3	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.4	171.8	0	0	0	0	0	111.2	P116 V117 Y191	P116-G157 CarbonylContact C-O 3.51Å; P116-G157 WeakPolarHBondContact CA-O 3.28Å; V117-G157 PolarHBondContact N-O 3.28Å; G157-Y191 CarbonylContact C-O 3.6Å; G157-Y191 WeakPolarHBondContact CA-O 3.49Å
158	Y	97.4	Very high	85.9	Confident	27 Å²	27	55 Å²	55	11%	0.106	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.6	172.6	-63.4	-88.7	0	0	0	110.3	M94 V114 L115 P116 T156 F182 A190 Y191 H192 F193	M94-Y158 HydrophobicContact CE-CE1 4.11Å; M94-Y158 HydrophobicContact CE-CE2 4.24Å; M94-Y158 HydrophobicContact SD-CD1 3.88Å; M94-Y158 HydrophobicContact SD-CE1 3.93Å; M94-Y158 HydrophobicContact SD-CG 4.17Å; V114-Y158 HydrophobicContact CG1-CD1 4.14Å; V114-Y158 HydrophobicContact CG1-CG 4.42Å; L115-Y158 CarbonylContact O-C 3.5Å; L115-Y158 WeakPolarHBondContact O-CA 3.09Å; P116-Y158 HydrophobicContact CG-CE1 4.34Å; T156-Y158 HydrophobicContact CG2-CD2 4.29Å; T156-Y158 HydrophobicContact CG2-CE1 4.28Å; T156-Y158 HydrophobicContact CG2-CE2 3.65Å; Y158-F182 HydrophobicContact CD2-CD2 4.04Å; Y158-F182 AromaticContact CD2-CE2 3.79Å; Y158-F182 HydrophobicContact CD2-CE2 3.79Å; Y158-F182 HydrophobicContact CE2-CE2 4.31Å; Y158-A190 HydrophobicContact CE2-CB 4.25Å; Y158-Y191 PolarHBondContact N-O 2.86Å; Y158-H192 CarbonylContact O-C 3.58Å; Y158-H192 WeakPolarHBondContact O-CA 3.25Å; Y158-H192 PolarHBondContact O-CD2 2.69Å; Y158-F193 PolarHBondContact O-N 3.29Å
159	I	96.9	Very high	87.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.9	179.7	42.6	154.2	0	0	0	111.4	V114 L115 V117 L120 Y140 I161 F193	V114-I159 WeakPolarHBondContact CA-O 3.45Å; L115-I159 HydrophobicContact CB-CG1 4.35Å; L115-I159 PolarHBondContact N-O 2.98Å; L115-I159 WeakPolarHBondContact O-CG1 3.5Å; L115-I159 PolarHBondContact O-N 2.93Å; V117-I159 HydrophobicContact CG2-CB 4.44Å; V117-I159 HydrophobicContact CG2-CG1 4.2Å; V117-I159 HydrophobicContact CG2-CG2 3.59Å; L120-I159 HydrophobicContact CD1-CD1 3.61Å; L120-I159 HydrophobicContact CD2-CD1 3.41Å; L120-I159 VanDerWaalsContact CD2-CD1 3.41Å; L120-I159 HydrophobicContact CG-CD1 3.73Å; Y140-I159 HydrophobicContact CD1-CG2 4.17Å; Y140-I159 HydrophobicContact CD2-CG2 3.91Å; Y140-I159 HydrophobicContact CE1-CG2 3.83Å; Y140-I159 HydrophobicContact CE2-CB 4.42Å; Y140-I159 HydrophobicContact CE2-CD1 4.14Å; Y140-I159 HydrophobicContact CE2-CG2 3.55Å; Y140-I159 HydrophobicContact CG-CG2 4.22Å; Y140-I159 VanDerWaalsContact CZ-CG2 3.49Å; I159-I161 HydrophobicContact CD1-CB 4.06Å; I159-I161 HydrophobicContact CD1-CG2 3.77Å; I159-I161 PolarHBondContact O-N 3.28Å; I159-F193 HydrophobicContact CG2-CB 3.74Å; I159-F193 HydrophobicContact CG2-CD2 4.02Å; I159-F193 HydrophobicContact CG2-CG 4.4Å
160	S	95.4	Very high	88.4	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	88.8	162.7	-66	0	0	0	0	109.3	N112 H192 F193	N112-S160 PolarHBondContact ND2-OG 3.37Å; N112-S160 VanDerWaalsContact OD1-CB 3.26Å; N112-S160 WeakPolarHBondContact OD1-CB 3.35Å; N112-S160 PolarHBondContact OD1-OG 2.91Å; S160-H192 PolarHBondContact N-NE2 2.77Å; S160-H192 PolarHBondContact OG-CE1 3.14Å; S160-H192 PolarHBondContact OG-NE2 3.29Å; S160-F193 PolarHBondContact N-O 2.62Å
161	I	80.3	Confident	89.4	Confident	41 Å²	41	45.6 Å²	45.6	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-31.8	-177.1	-169.4	165	0	0	0	113.4	L115 L133 A136 I159	L115-I161 HydrophobicContact CD1-CG2 3.74Å; L133-I161 HydrophobicContact CD2-CD1 4.48Å; A136-I161 HydrophobicContact CB-CD1 4.49Å; I159-I161 HydrophobicContact CD1-CB 4.06Å; I159-I161 HydrophobicContact CD1-CG2 3.77Å; I159-I161 PolarHBondContact O-N 3.28Å
162	L	88.6	Confident	90.6	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	79.6	176.8	-66.5	170.6	0	0	0	108.9	I83 A86 L113	I83-L162 HydrophobicContact CB-CD1 4.47Å; I83-L162 HydrophobicContact CD1-CD2 4.29Å; I83-L162 HydrophobicContact CG1-CD1 3.99Å; I83-L162 HydrophobicContact CG1-CD2 3.92Å; A86-L162 HydrophobicContact CB-CD1 3.35Å; L113-L162 HydrophobicContact CB-CB 4.13Å; L113-L162 HydrophobicContact CD1-CB 4.21Å; L113-L162 HydrophobicContact CD1-CD1 4.09Å; L113-L162 HydrophobicContact CG-CB 4.38Å; L113-L162 PolarHBondContact N-O 3.44Å
163	R	94.1	Very high	92	Very high	34 Å²	34	37 Å²	37	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.1	176.3	-170.6	167.6	63.3	-106.9	-5.4	110.1	A111 N112 N171 L174 W195 E196	A111-R163 VanDerWaalsContact O-CA 3.31Å; A111-R163 WeakPolarHBondContact O-CA 3.45Å; A111-R163 WeakPolarHBondContact O-CG 3.29Å; N112-R163 HydrophobicContact CB-CB 4.43Å; N112-R163 HydrophobicContact CB-CG 3.95Å; N112-R163 WeakPolarHBondContact OD1-CB 3.4Å; R163-N171 WeakPolarHBondContact CD-OD1 3.34Å; R163-N171 PolarHBondContact NE-OD1 3.08Å; R163-L174 HydrophobicContact CG-CD1 4.41Å; R163-W195 PolarHBondContact NH2-O 3.4Å; R163-E196 IonicContact CZ-OE1 3.69Å; R163-E196 IonicContact NE-OE1 2.79Å; R163-E196 IonicContact NH2-OE1 2.62Å; R163-E196 PolarHBondContact NH2-OE1 2.88Å
164	G	93.8	Very high	93.1	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	132	174.2	0	0	0	0	0	110.2	Y57 G110 A111	Y57-G164 PolarHBondContact OH-O 3.46Å; G110-G164 CarbonylContact C-O 3.56Å; G110-G164 VanDerWaalsContact CA-O 3.28Å; G110-G164 WeakPolarHBondContact CA-O 3.3Å; A111-G164 PolarHBondContact N-O 2.67Å; A111-G164 PolarHBondContact O-N 2.69Å
165	A	95.5	Very high	93.9	Very high	15 Å²	15	30 Å²	30	12%	0.124	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.8	179.8	0	0	0	0	0	110.7	Q61 K65 N167 I170 N171 L174	Q61-A165 PolarHBondContact OE1-O 3.19Å; K65-A165 PolarHBondContact NZ-O 3.33Å; A165-N167 VanDerWaalsContact C-N 3.33Å; A165-I170 HydrophobicContact CB-CB 4.27Å; A165-I170 HydrophobicContact CB-CG2 3.99Å; A165-N171 HydrophobicContact CB-CB 3.84Å; A165-L174 HydrophobicContact CB-CD1 4.26Å
166	D	93.8	Very high	94.5	Very high	58 Å²	58	34.3 Å²	34.3	31%	0.31	18%	0.178	S	C	.	.	S	Bend	trans	-67.4	-36.1	177.8	-81.2	-9.5	0	0	0	112.8	Q61 K65 R100 V109 I170	Q61-D166 PolarHBondContact NE2-OD1 3.27Å; K65-D166 PolarHBondContact NZ-O 3.35Å; K65-D166 IonicContact NZ-OD1 3.56Å; R100-D166 IonicContact NH2-OD2 2.8Å; V109-D166 PolarHBondContact O-N 3.28Å; D166-I170 HydrophobicContact CB-CD1 4.1Å
167	N	93.3	Very high	94.8	Very high	72 Å²	72	33.9 Å²	33.9	39%	0.385	17%	0.173	S	C	.	.	S	Bend	trans	-148.8	176.3	-179.5	63.6	47	0	0	0	112.2	A165 E169 I170 N171	A165-N167 VanDerWaalsContact C-N 3.33Å; N167-E169 PolarHBondContact O-N 2.87Å; N167-E169 WeakPolarHBondContact OD1-CB 3.2Å; N167-E169 PolarHBondContact OD1-N 3.4Å; N167-E169 VanDerWaalsContact OD1-N 3.1Å; N167-I170 WeakPolarHBondContact OD1-CG1 3.38Å; N167-I170 PolarHBondContact OD1-N 2.83Å; N167-N171 PolarHBondContact O-N 2.98Å; N167-N171 VanDerWaalsContact O-N 3.11Å
168	V	93.1	Very high	94.9	Very high	94 Å²	94	33.6 Å²	33.6	57%	0.57	17%	0.17	S	C	*	.	H	α-helix	trans	-65	-37.1	-177.8	176.9	0	0	0	0	112.3	N171 Q172	V168-N171 WeakPolarHBondContact O-CB 3.31Å; V168-N171 PolarHBondContact O-N 3.4Å; V168-Q172 HydrophobicContact CG1-CG 4.28Å; V168-Q172 WeakPolarHBondContact O-CB 3.4Å; V168-Q172 WeakPolarHBondContact O-CG 3.25Å; V168-Q172 PolarHBondContact O-N 3.2Å
169	E	95	Very high	94.9	Very high	103 Å²	103	32.6 Å²	32.6	48%	0.481	17%	0.167	S	C	.	.	H	α-helix	trans	-62.7	-48.4	179.6	-177.9	-177.7	175.3	0	0	111.2	N167 N171 Q172 E173	N167-E169 PolarHBondContact O-N 2.87Å; N167-E169 WeakPolarHBondContact OD1-CB 3.2Å; N167-E169 PolarHBondContact OD1-N 3.4Å; N167-E169 VanDerWaalsContact OD1-N 3.1Å; E169-N171 VanDerWaalsContact C-N 3.33Å; E169-N171 PolarHBondContact O-N 3.05Å; E169-Q172 PolarHBondContact O-N 3.19Å; E169-E173 WeakPolarHBondContact O-CG 3.3Å; E169-E173 PolarHBondContact O-N 3.37Å
170	I	96.1	Very high	95	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-42.2	176.9	-65.8	164.9	0	0	0	110.3	F41 A98 V109 A165 D166 N167 Q172 E173 L174	F41-I170 HydrophobicContact CD1-CD1 4.48Å; F41-I170 HydrophobicContact CD1-CG1 3.92Å; F41-I170 HydrophobicContact CE1-CG1 3.72Å; F41-I170 HydrophobicContact CE2-CG1 4.47Å; F41-I170 HydrophobicContact CG-CG1 4.39Å; F41-I170 HydrophobicContact CZ-CG1 3.99Å; A98-I170 HydrophobicContact CB-CG2 3.75Å; V109-I170 HydrophobicContact CB-CD1 3.89Å; V109-I170 HydrophobicContact CG2-CD1 3.76Å; A165-I170 HydrophobicContact CB-CB 4.27Å; A165-I170 HydrophobicContact CB-CG2 3.99Å; D166-I170 HydrophobicContact CB-CD1 4.1Å; N167-I170 WeakPolarHBondContact OD1-CG1 3.38Å; N167-I170 PolarHBondContact OD1-N 2.83Å; I170-Q172 PolarHBondContact O-N 3.17Å; I170-E173 PolarHBondContact O-N 3.47Å; I170-L174 HydrophobicContact CG2-CD1 4.1Å; I170-L174 HydrophobicContact CG2-CG 4.35Å; I170-L174 VanDerWaalsContact O-CG 3.29Å; I170-L174 WeakPolarHBondContact O-CG 3.28Å; I170-L174 PolarHBondContact O-N 2.95Å
171	N	95.9	Very high	95	Very high	24 Å²	24	41 Å²	41	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-47.6	176.7	-177.2	60.6	0	0	0	112	R163 A165 N167 V168 E169 E173 L174 I175 E196	R163-N171 WeakPolarHBondContact CD-OD1 3.34Å; R163-N171 PolarHBondContact NE-OD1 3.08Å; A165-N171 HydrophobicContact CB-CB 3.84Å; N167-N171 PolarHBondContact O-N 2.98Å; N167-N171 VanDerWaalsContact O-N 3.11Å; V168-N171 WeakPolarHBondContact O-CB 3.31Å; V168-N171 PolarHBondContact O-N 3.4Å; E169-N171 VanDerWaalsContact C-N 3.33Å; E169-N171 PolarHBondContact O-N 3.05Å; N171-E173 PolarHBondContact O-N 3.33Å; N171-L174 PolarHBondContact O-N 2.96Å; N171-I175 WeakPolarHBondContact O-CG1 3.42Å; N171-I175 PolarHBondContact O-N 2.95Å; N171-E196 PolarHBondContact ND2-OE1 2.79Å
172	Q	97.1	Very high	95.8	Very high	47 Å²	47	39 Å²	39	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-40.5	178.8	-74	-177.4	-7.9	0	0	111.7	V168 E169 I170 I175 K176 Q202 F205	V168-Q172 HydrophobicContact CG1-CG 4.28Å; V168-Q172 WeakPolarHBondContact O-CB 3.4Å; V168-Q172 WeakPolarHBondContact O-CG 3.25Å; V168-Q172 PolarHBondContact O-N 3.2Å; E169-Q172 PolarHBondContact O-N 3.19Å; I170-Q172 PolarHBondContact O-N 3.17Å; Q172-I175 PolarHBondContact O-N 3.21Å; Q172-K176 WeakPolarHBondContact O-CB 3.45Å; Q172-K176 PolarHBondContact O-N 2.92Å; Q172-Q202 VanDerWaalsContact NE2-OE1 3.11Å; Q172-F205 HydrophobicContact CB-CD1 4.45Å; Q172-F205 HydrophobicContact CB-CD2 4.16Å; Q172-F205 HydrophobicContact CB-CE1 3.96Å; Q172-F205 HydrophobicContact CB-CE2 3.64Å; Q172-F205 HydrophobicContact CB-CZ 3.53Å; Q172-F205 HydrophobicContact CG-CD1 3.8Å; Q172-F205 HydrophobicContact CG-CD2 3.99Å; Q172-F205 HydrophobicContact CG-CE1 3.73Å; Q172-F205 HydrophobicContact CG-CE2 3.94Å; Q172-F205 HydrophobicContact CG-CG 3.92Å; Q172-F205 HydrophobicContact CG-CZ 3.81Å; Q172-F205 VanDerWaalsContact O-CZ 3.22Å; Q172-F205 WeakPolarHBondContact O-CZ 3.48Å
173	E	97.3	Very high	96.2	Very high	35 Å²	35	41.5 Å²	41.5	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-37.7	176.4	-74.2	-68	151.5	0	0	113	K39 F41 E169 I170 N171 I175 K176 E177	K39-E173 IonicContact NZ-OE1 3.86Å; K39-E173 PolarHBondContact NZ-OE1 3.3Å; K39-E173 IonicContact NZ-OE2 2.79Å; K39-E173 PolarHBondContact NZ-OE2 2.97Å; F41-E173 HydrophobicContact CE2-CB 4.03Å; F41-E173 HydrophobicContact CE2-CG 4.34Å; F41-E173 HydrophobicContact CZ-CB 4.05Å; F41-E173 HydrophobicContact CZ-CG 3.96Å; E169-E173 WeakPolarHBondContact O-CG 3.3Å; E169-E173 PolarHBondContact O-N 3.37Å; I170-E173 PolarHBondContact O-N 3.47Å; N171-E173 PolarHBondContact O-N 3.33Å; E173-I175 PolarHBondContact O-N 3.41Å; E173-K176 PolarHBondContact O-N 3.41Å; E173-K176 IonicContact OE1-NZ 3.6Å; E173-E177 PolarHBondContact O-N 2.99Å
174	L	97.8	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-43.6	171.9	-69.6	168.6	0	0	0	111.8	I43 P96 A98 N112 R163 A165 I170 N171 T178	I43-L174 HydrophobicContact CD1-CD2 4.19Å; P96-L174 HydrophobicContact CB-CD2 4.06Å; P96-L174 HydrophobicContact CG-CB 4.49Å; P96-L174 HydrophobicContact CG-CD2 3.92Å; A98-L174 HydrophobicContact CB-CD2 4.3Å; N112-L174 HydrophobicContact CB-CB 4.37Å; R163-L174 HydrophobicContact CG-CD1 4.41Å; A165-L174 HydrophobicContact CB-CD1 4.26Å; I170-L174 HydrophobicContact CG2-CD1 4.1Å; I170-L174 HydrophobicContact CG2-CG 4.35Å; I170-L174 VanDerWaalsContact O-CG 3.29Å; I170-L174 WeakPolarHBondContact O-CG 3.28Å; I170-L174 PolarHBondContact O-N 2.95Å; N171-L174 PolarHBondContact O-N 2.96Å; L174-T178 VanDerWaalsContact O-CB 3.27Å; L174-T178 WeakPolarHBondContact O-CB 3.34Å; L174-T178 PolarHBondContact O-N 3.42Å; L174-T178 PolarHBondContact O-OG1 3.45Å
175	I	98	Very high	96.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-42.3	178	-65.1	164.1	0	0	0	110.6	N171 Q172 E173 T178 T179 V194 E196 F205 M206 L209	N171-I175 WeakPolarHBondContact O-CG1 3.42Å; N171-I175 PolarHBondContact O-N 2.95Å; Q172-I175 PolarHBondContact O-N 3.21Å; E173-I175 PolarHBondContact O-N 3.41Å; I175-T178 PolarHBondContact O-N 2.96Å; I175-T179 VanDerWaalsContact O-CB 3.29Å; I175-T179 WeakPolarHBondContact O-CB 3.2Å; I175-T179 PolarHBondContact O-N 2.82Å; I175-T179 PolarHBondContact O-OG1 3.2Å; I175-V194 HydrophobicContact CD1-CG1 4.36Å; I175-E196 HydrophobicContact CD1-CG 4.14Å; I175-E196 VanDerWaalsContact CD1-OE1 3.23Å; I175-E196 WeakPolarHBondContact CD1-OE1 3.35Å; I175-F205 HydrophobicContact CB-CE1 4.11Å; I175-F205 HydrophobicContact CB-CZ 4.26Å; I175-F205 HydrophobicContact CD1-CE1 4.12Å; I175-F205 HydrophobicContact CG2-CE1 4.02Å; I175-F205 HydrophobicContact CG2-CZ 4.36Å; I175-M206 HydrophobicContact CD1-SD 4.36Å; I175-M206 HydrophobicContact CG2-CE 4.39Å; I175-M206 HydrophobicContact CG2-SD 4.18Å; I175-L209 HydrophobicContact CG2-CD1 3.74Å
176	K	98	Very high	96.2	Very high	98 Å²	98	48.2 Å²	48.2	43%	0.426	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-49	177.5	-177.6	-178.8	177	-175.5	0	111.5	Q172 E173 T179 K180 L209	Q172-K176 WeakPolarHBondContact O-CB 3.45Å; Q172-K176 PolarHBondContact O-N 2.92Å; E173-K176 PolarHBondContact O-N 3.41Å; E173-K176 IonicContact OE1-NZ 3.6Å; K176-T179 PolarHBondContact O-N 2.82Å; K176-K180 PolarHBondContact O-N 3.46Å; K176-L209 HydrophobicContact CB-CD1 4.46Å; K176-L209 HydrophobicContact CG-CD2 4.25Å
177	E	97.6	Very high	96.1	Very high	34 Å²	34	49 Å²	49	16%	0.159	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-41.3	-179.8	-162	66.4	-166.1	0	0	111.4	I43 P96 E173 T179 K180 Y181	I43-E177 HydrophobicContact CG2-CB 4.13Å; I43-E177 HydrophobicContact CG2-CG 3.78Å; P96-E177 HydrophobicContact CB-CB 4.4Å; P96-E177 HydrophobicContact CB-CG 4.45Å; P96-E177 HydrophobicContact CG-CB 4.44Å; E173-E177 PolarHBondContact O-N 2.99Å; E177-T179 VanDerWaalsContact C-N 3.31Å; E177-T179 PolarHBondContact O-N 3.4Å; E177-K180 PolarHBondContact O-N 2.99Å; E177-K180 IonicContact OE1-NZ 2.73Å; E177-K180 PolarHBondContact OE1-NZ 3.37Å; E177-K180 IonicContact OE2-NZ 3.71Å; E177-Y181 HydrophobicContact CG-CD2 3.91Å; E177-Y181 HydrophobicContact CG-CE2 3.74Å; E177-Y181 WeakPolarHBondContact O-CD2 3.49Å; E177-Y181 PolarHBondContact O-N 3.01Å; E177-Y181 WeakPolarHBondContact OE1-CE2 3.31Å
178	T	98	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-46.8	172.9	-59.9	0	0	0	0	111.2	M94 P96 N112 V114 L174 I175 Y181 F182	M94-T178 WeakPolarHBondContact O-CG2 3.24Å; M94-T178 PolarHBondContact O-OG1 2.94Å; P96-T178 VanDerWaalsContact CD-OG1 3.28Å; P96-T178 WeakPolarHBondContact CD-OG1 3.46Å; P96-T178 WeakPolarHBondContact CG-OG1 3.33Å; N112-T178 PolarHBondContact ND2-OG1 2.68Å; V114-T178 HydrophobicContact CG2-CG2 3.58Å; L174-T178 VanDerWaalsContact O-CB 3.27Å; L174-T178 WeakPolarHBondContact O-CB 3.34Å; L174-T178 PolarHBondContact O-N 3.42Å; L174-T178 PolarHBondContact O-OG1 3.45Å; I175-T178 PolarHBondContact O-N 2.96Å; T178-Y181 PolarHBondContact O-N 3.38Å; T178-F182 VanDerWaalsContact O-CB 3.25Å; T178-F182 WeakPolarHBondContact O-CB 3.27Å; T178-F182 PolarHBondContact O-N 3.35Å
179	T	98	Very high	96	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-42.6	-178.3	-57.7	0	0	0	0	111.4	I175 K176 E177 F182 L183 Y211 I246	I175-T179 VanDerWaalsContact O-CB 3.29Å; I175-T179 WeakPolarHBondContact O-CB 3.2Å; I175-T179 PolarHBondContact O-N 2.82Å; I175-T179 PolarHBondContact O-OG1 3.2Å; K176-T179 PolarHBondContact O-N 2.82Å; E177-T179 VanDerWaalsContact C-N 3.31Å; E177-T179 PolarHBondContact O-N 3.4Å; T179-F182 PolarHBondContact O-N 2.79Å; T179-L183 HydrophobicContact CG2-CD1 4.14Å; T179-L183 WeakPolarHBondContact O-CG 3.09Å; T179-L183 PolarHBondContact O-N 2.86Å; T179-Y211 HydrophobicContact CG2-CE2 3.82Å; T179-Y211 VanDerWaalsContact OG1-CE2 3.24Å; T179-Y211 WeakPolarHBondContact OG1-CE2 3.22Å; T179-Y211 PolarHBondContact OG1-OH 2.92Å; T179-I246 HydrophobicContact CG2-CD1 3.77Å
180	K	97.4	Very high	96	Very high	96 Å²	96	38.6 Å²	38.6	42%	0.417	19%	0.191	S	C	.	.	H	α-helix	trans	-57.4	-51.8	174.7	171.1	-171.8	161.8	-154.8	0	111.3	K176 E177 L183 I184	K176-K180 PolarHBondContact O-N 3.46Å; E177-K180 PolarHBondContact O-N 2.99Å; E177-K180 IonicContact OE1-NZ 2.73Å; E177-K180 PolarHBondContact OE1-NZ 3.37Å; E177-K180 IonicContact OE2-NZ 3.71Å; K180-L183 PolarHBondContact O-N 3.48Å; K180-I184 HydrophobicContact CG-CD1 3.93Å; K180-I184 WeakPolarHBondContact O-CG1 3.32Å; K180-I184 PolarHBondContact O-N 2.85Å; K180-I184 VanDerWaalsContact O-N 3.14Å
181	Y	96.7	Very high	96.1	Very high	85 Å²	85	39.2 Å²	39.2	33%	0.333	19%	0.193	S	C	.	.	H	α-helix	trans	-68.9	-35.8	179.8	-78.4	-66.8	0	0	0	112.8	Y93 E177 T178 L183 I184 S185	Y93-Y181 WeakPolarHBondContact O-CB 3.21Å; E177-Y181 HydrophobicContact CG-CD2 3.91Å; E177-Y181 HydrophobicContact CG-CE2 3.74Å; E177-Y181 WeakPolarHBondContact O-CD2 3.49Å; E177-Y181 PolarHBondContact O-N 3.01Å; E177-Y181 WeakPolarHBondContact OE1-CE2 3.31Å; T178-Y181 PolarHBondContact O-N 3.38Å; Y181-L183 PolarHBondContact O-N 3.44Å; Y181-I184 PolarHBondContact O-N 3.33Å; Y181-S185 WeakPolarHBondContact O-CB 3.28Å; Y181-S185 PolarHBondContact O-N 2.9Å; Y181-S185 PolarHBondContact O-OG 3.42Å
182	F	97.4	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-50.5	172.9	166.5	-100.5	0	0	0	111.3	M94 Y158 T178 T179 I184 S185 S186 A190 H192 I246 N248	M94-F182 HydrophobicContact CE-CD2 4.38Å; M94-F182 HydrophobicContact SD-CB 4.33Å; M94-F182 HydrophobicContact SD-CD2 4.22Å; Y158-F182 HydrophobicContact CD2-CD2 4.04Å; Y158-F182 AromaticContact CD2-CE2 3.79Å; Y158-F182 HydrophobicContact CD2-CE2 3.79Å; Y158-F182 HydrophobicContact CE2-CE2 4.31Å; T178-F182 VanDerWaalsContact O-CB 3.25Å; T178-F182 WeakPolarHBondContact O-CB 3.27Å; T178-F182 PolarHBondContact O-N 3.35Å; T179-F182 PolarHBondContact O-N 2.79Å; F182-I184 VanDerWaalsContact C-N 3.32Å; F182-I184 PolarHBondContact O-N 3.31Å; F182-S185 PolarHBondContact O-N 2.99Å; F182-S186 WeakPolarHBondContact CE2-OG 3.29Å; F182-S186 WeakPolarHBondContact O-CB 3.13Å; F182-S186 PolarHBondContact O-N 3.46Å; F182-S186 PolarHBondContact O-OG 2.85Å; F182-A190 HydrophobicContact CE2-CB 3.98Å; F182-A190 HydrophobicContact CZ-CB 4.19Å; F182-A190 WeakPolarHBondContact CZ-O 3.4Å; F182-H192 HydrophobicContact CD1-CB 4.11Å; F182-H192 HydrophobicContact CD2-CB 3.74Å; F182-H192 HydrophobicContact CE1-CB 4.1Å; F182-H192 HydrophobicContact CE2-CB 3.72Å; F182-H192 HydrophobicContact CG-CB 3.94Å; F182-H192 HydrophobicContact CZ-CB 3.91Å; F182-I246 HydrophobicContact CD1-CG2 3.91Å; F182-I246 HydrophobicContact CE1-CG2 3.68Å; F182-N248 HydrophobicContact CE1-CB 4.06Å; F182-N248 HydrophobicContact CZ-CB 4.03Å
183	L	96.7	Very high	96.2	Very high	62 Å²	62	35.9 Å²	35.9	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-66	-32.7	-179.3	-68.1	173.7	0	0	0	113	T179 K180 Y181 I246 N248	T179-L183 HydrophobicContact CG2-CD1 4.14Å; T179-L183 WeakPolarHBondContact O-CG 3.09Å; T179-L183 PolarHBondContact O-N 2.86Å; K180-L183 PolarHBondContact O-N 3.48Å; Y181-L183 PolarHBondContact O-N 3.44Å; L183-I246 HydrophobicContact CD1-CD1 4.17Å; L183-I246 HydrophobicContact CD2-CD1 4.02Å; L183-I246 HydrophobicContact CG-CD1 4.36Å; L183-N248 HydrophobicContact CD2-CB 4.36Å; L183-N248 PolarHBondContact O-ND2 3.04Å
184	I	95	Very high	96.2	Very high	126 Å²	126	34.2 Å²	34.2	65%	0.646	17%	0.169	S	C	*	.	H	α-helix	trans	-80.4	-32.2	-179.6	-67.2	167.3	0	0	0	112.5	K180 Y181 F182	K180-I184 HydrophobicContact CG-CD1 3.93Å; K180-I184 WeakPolarHBondContact O-CG1 3.32Å; K180-I184 PolarHBondContact O-N 2.85Å; K180-I184 VanDerWaalsContact O-N 3.14Å; Y181-I184 PolarHBondContact O-N 3.33Å; F182-I184 VanDerWaalsContact C-N 3.32Å; F182-I184 PolarHBondContact O-N 3.31Å
185	S	93	Very high	96	Very high	60 Å²	60	34.9 Å²	34.9	42%	0.42	17%	0.172	S	C	.	.	H	α-helix	trans	-113.9	-17.2	-167.3	67	0	0	0	0	115.4	M94 Y181 F182	M94-S185 WeakPolarHBondContact CE-OG 3.34Å; Y181-S185 WeakPolarHBondContact O-CB 3.28Å; Y181-S185 PolarHBondContact O-N 2.9Å; Y181-S185 PolarHBondContact O-OG 3.42Å; F182-S185 PolarHBondContact O-N 2.99Å
186	S	94.3	Very high	95.8	Very high	11 Å²	11	35.6 Å²	35.6	8%	0.077	18%	0.175	C	C	.	.	S	Bend	trans	-81.5	153.5	177	70.8	0	0	0	0	111.4	F182 N248	F182-S186 WeakPolarHBondContact CE2-OG 3.29Å; F182-S186 WeakPolarHBondContact O-CB 3.13Å; F182-S186 PolarHBondContact O-N 3.46Å; F182-S186 PolarHBondContact O-OG 2.85Å; S186-N248 PolarHBondContact O-ND2 2.92Å; S186-N248 PolarHBondContact OG-ND2 3Å; S186-N248 VanDerWaalsContact OG-ND2 3.14Å
187	Q	92	Very high	95.5	Very high	75 Å²	75	33.8 Å²	33.8	35%	0.35	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-64.3	157.6	171.6	64.1	178.5	50.7	0	0	111.7	S153 S154 A190	S153-Q187 PolarHBondContact OG-NE2 2.95Å; S154-Q187 PolarHBondContact O-NE2 3.37Å; Q187-A190 HydrophobicContact CG-CB 3.99Å; Q187-A190 WeakPolarHBondContact O-CB 3.25Å; Q187-A190 PolarHBondContact O-N 3.33Å; Q187-A190 VanDerWaalsContact O-N 3.09Å
188	T	92.3	Very high	95.2	Very high	45 Å²	45	34.9 Å²	34.9	28%	0.276	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	142.1	166.2	-45.1	0	0	0	0	110.7	K150 A190 D250	K150-T188 HydrophobicContact CD-CG2 4.43Å; T188-A190 PolarHBondContact O-N 3.49Å; T188-A190 VanDerWaalsContact O-N 3.17Å; T188-D250 WeakPolarHBondContact CA-OXT 2.95Å; T188-D250 VanDerWaalsContact CB-OXT 3.27Å; T188-D250 WeakPolarHBondContact CB-OXT 3.47Å; T188-D250 WeakPolarHBondContact CG2-OXT 3.35Å; T188-D250 VanDerWaalsContact OG1-C 3.3Å; T188-D250 PolarHBondContact OG1-O 2.93Å; T188-D250 PolarHBondContact OG1-OXT 3.45Å
189	D	93.2	Very high	95	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	-1.9	-174.6	-49.9	-48.5	0	0	0	116.2	K150 S151 P155 N248	K150-D189 WeakPolarHBondContact CA-OD2 3.13Å; K150-D189 VanDerWaalsContact N-CG 3.32Å; K150-D189 PolarHBondContact N-OD1 3.03Å; K150-D189 PolarHBondContact N-OD2 2.93Å; S151-D189 VanDerWaalsContact CB-OD2 3.32Å; S151-D189 WeakPolarHBondContact CB-OD2 3.48Å; S151-D189 PolarHBondContact N-OD2 3.06Å; P155-D189 HydrophobicContact CB-CB 4.09Å; P155-D189 WeakPolarHBondContact CB-O 3.35Å; D189-N248 WeakPolarHBondContact CA-O 3.32Å; D189-N248 PolarHBondContact N-O 3.31Å
190	A	95.3	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.			trans	-55.9	152.2	167.9	0	0	0	0	0	110	T156 Y158 F182 Q187 T188 I247 N248	T156-A190 VanDerWaalsContact O-CA 3.27Å; T156-A190 WeakPolarHBondContact O-CA 3.17Å; T156-A190 WeakPolarHBondContact O-CB 3.45Å; Y158-A190 HydrophobicContact CE2-CB 4.25Å; F182-A190 HydrophobicContact CE2-CB 3.98Å; F182-A190 HydrophobicContact CZ-CB 4.19Å; F182-A190 WeakPolarHBondContact CZ-O 3.4Å; Q187-A190 HydrophobicContact CG-CB 3.99Å; Q187-A190 WeakPolarHBondContact O-CB 3.25Å; Q187-A190 PolarHBondContact O-N 3.33Å; Q187-A190 VanDerWaalsContact O-N 3.09Å; T188-A190 PolarHBondContact O-N 3.49Å; T188-A190 VanDerWaalsContact O-N 3.17Å; A190-I247 CarbonylContact O-C 3.56Å; A190-I247 WeakPolarHBondContact O-CA 3.31Å; A190-N248 PolarHBondContact O-N 2.89Å
191	Y	96.9	Very high	94.7	Very high	15 Å²	15	43 Å²	43	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149	178.6	55.4	-85	0	0	0	110.7	K144 P145 P155 T156 G157 Y158 F193 I246	K144-Y191 HydrophobicContact CG-CE1 4.06Å; P145-Y191 HydrophobicContact CG-CD1 3.67Å; P145-Y191 HydrophobicContact CG-CE1 4.29Å; P145-Y191 HydrophobicContact CG-CG 3.97Å; P155-Y191 HydrophobicContact CB-CD1 4.16Å; P155-Y191 HydrophobicContact CB-CE1 4.06Å; P155-Y191 HydrophobicContact CG-CE1 4.18Å; T156-Y191 PolarHBondContact O-N 3.41Å; T156-Y191 VanDerWaalsContact O-N 3.1Å; G157-Y191 CarbonylContact C-O 3.6Å; G157-Y191 WeakPolarHBondContact CA-O 3.49Å; Y158-Y191 PolarHBondContact N-O 2.86Å; Y191-F193 AromaticContact CD2-CD2 3.99Å; Y191-F193 HydrophobicContact CD2-CD2 3.99Å; Y191-F193 AromaticContact CD2-CE2 3.53Å; Y191-F193 HydrophobicContact CD2-CE2 3.53Å; Y191-F193 AromaticContact CD2-CZ 3.84Å; Y191-F193 HydrophobicContact CD2-CZ 3.84Å; Y191-F193 HydrophobicContact CE2-CD2 4.02Å; Y191-F193 AromaticContact CE2-CE2 3.36Å; Y191-F193 HydrophobicContact CE2-CE2 3.36Å; Y191-F193 AromaticContact CE2-CZ 3.95Å; Y191-F193 HydrophobicContact CE2-CZ 3.95Å; Y191-I246 CarbonylContact C-O 3.53Å; Y191-I246 WeakPolarHBondContact CA-O 3.11Å; Y191-I246 WeakPolarHBondContact CB-O 3.46Å
192	H	97.8	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.8	178.3	174.7	-125.9	0	0	0	110.5	Y158 S160 F182 V194 Y211 R245 I246	Y158-H192 CarbonylContact O-C 3.58Å; Y158-H192 WeakPolarHBondContact O-CA 3.25Å; Y158-H192 PolarHBondContact O-CD2 2.69Å; S160-H192 PolarHBondContact N-NE2 2.77Å; S160-H192 PolarHBondContact OG-CE1 3.14Å; S160-H192 PolarHBondContact OG-NE2 3.29Å; F182-H192 HydrophobicContact CD1-CB 4.11Å; F182-H192 HydrophobicContact CD2-CB 3.74Å; F182-H192 HydrophobicContact CE1-CB 4.1Å; F182-H192 HydrophobicContact CE2-CB 3.72Å; F182-H192 HydrophobicContact CG-CB 3.94Å; F182-H192 HydrophobicContact CZ-CB 3.91Å; H192-V194 WeakPolarHBondContact CE1-CG2 3.37Å; H192-Y211 PolarHBondContact CE1-OH 3.31Å; H192-Y211 AromaticContact ND1-CE1 3.99Å; H192-Y211 AromaticContact ND1-CZ 3.78Å; H192-Y211 PolarHBondContact ND1-OH 3.45Å; H192-R245 WeakPolarHBondContact O-CA 3.35Å; H192-I246 HydrophobicContact CB-CG2 3.86Å; H192-I246 PolarHBondContact N-O 3.43Å; H192-I246 PolarHBondContact O-N 3.49Å
193	F	97.8	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.9	179.3	-73.4	-55.7	0	0	0	111.9	V117 Y140 A143 Y158 I159 S160 Y191 L243 Y244 R245	V117-F193 HydrophobicContact CG2-CD2 4.44Å; Y140-F193 HydrophobicContact CD1-CB 4.23Å; Y140-F193 AromaticContact CD1-CD2 3.54Å; Y140-F193 HydrophobicContact CD1-CD2 3.54Å; Y140-F193 AromaticContact CD1-CE2 3.95Å; Y140-F193 HydrophobicContact CD1-CE2 3.95Å; Y140-F193 AromaticContact CD1-CG 3.92Å; Y140-F193 HydrophobicContact CD1-CG 3.92Å; Y140-F193 HydrophobicContact CE1-CB 3.99Å; Y140-F193 HydrophobicContact CE1-CD2 4.16Å; Y140-F193 HydrophobicContact CE1-CG 4.18Å; Y140-F193 HydrophobicContact CG-CD2 4.05Å; Y140-F193 HydrophobicContact CG-CE2 4.26Å; A143-F193 HydrophobicContact CB-CE1 3.75Å; A143-F193 HydrophobicContact CB-CZ 3.69Å; A143-F193 WeakPolarHBondContact O-CZ 3.46Å; Y158-F193 PolarHBondContact O-N 3.29Å; I159-F193 HydrophobicContact CG2-CB 3.74Å; I159-F193 HydrophobicContact CG2-CD2 4.02Å; I159-F193 HydrophobicContact CG2-CG 4.4Å; S160-F193 PolarHBondContact N-O 2.62Å; Y191-F193 AromaticContact CD2-CD2 3.99Å; Y191-F193 HydrophobicContact CD2-CD2 3.99Å; Y191-F193 AromaticContact CD2-CE2 3.53Å; Y191-F193 HydrophobicContact CD2-CE2 3.53Å; Y191-F193 AromaticContact CD2-CZ 3.84Å; Y191-F193 HydrophobicContact CD2-CZ 3.84Å; Y191-F193 HydrophobicContact CE2-CD2 4.02Å; Y191-F193 AromaticContact CE2-CE2 3.36Å; Y191-F193 HydrophobicContact CE2-CE2 3.36Å; Y191-F193 AromaticContact CE2-CZ 3.95Å; Y191-F193 HydrophobicContact CE2-CZ 3.95Å; F193-L243 HydrophobicContact CB-CD1 4.02Å; F193-L243 HydrophobicContact CD1-CD1 3.98Å; F193-L243 HydrophobicContact CD1-CD2 4.14Å; F193-L243 HydrophobicContact CD1-CG 4.14Å; F193-L243 HydrophobicContact CE1-CD2 4.24Å; F193-L243 HydrophobicContact CG-CD1 4.24Å; F193-Y244 WeakPolarHBondContact CA-O 3.32Å; F193-R245 HydrophobicContact CD1-CB 3.76Å; F193-R245 HydrophobicContact CD1-CG 3.86Å; F193-R245 HydrophobicContact CE1-CB 3.7Å; F193-R245 HydrophobicContact CE1-CG 3.58Å; F193-R245 HydrophobicContact CZ-CG 4.38Å
194	V	96.6	Very high	94.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.1	176.2	176.1	0	0	0	0	109.1	I175 H192 E196 M206 Y211 Y244	I175-V194 HydrophobicContact CD1-CG1 4.36Å; H192-V194 WeakPolarHBondContact CE1-CG2 3.37Å; V194-E196 HydrophobicContact CG1-CG 3.89Å; V194-M206 HydrophobicContact CB-CE 3.99Å; V194-M206 HydrophobicContact CG1-CE 3.97Å; V194-Y211 HydrophobicContact CB-CE1 4.22Å; V194-Y211 HydrophobicContact CG2-CE1 3.73Å; V194-Y244 PolarHBondContact N-O 3.18Å; V194-Y244 PolarHBondContact O-N 2.67Å
195	W	94.2	Very high	94.8	Very high	14 Å²	14	40.8 Å²	40.8	5%	0.053	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.6	165.3	-72.5	102.3	0	0	0	109.9	Y140 R163 C226 W228 Q241 C242 L243	Y140-W195 AromaticContact CE1-NE1 3.69Å; Y140-W195 AromaticContact CZ-NE1 3.61Å; Y140-W195 VanDerWaalsContact OH-CD1 3.29Å; Y140-W195 PolarHBondContact OH-NE1 3.46Å; R163-W195 PolarHBondContact NH2-O 3.4Å; W195-C226 HydrophobicContact CH2-CB 3.98Å; W195-W228 HydrophobicContact CD2-CZ2 4.37Å; W195-W228 AromaticContact CE2-CZ2 3.88Å; W195-W228 AromaticContact CE3-NE1 3.82Å; W195-W228 HydrophobicContact CH2-CZ2 4.28Å; W195-W228 AromaticContact CH2-NE1 3.21Å; W195-W228 AromaticContact CZ2-CZ2 3.84Å; W195-W228 HydrophobicContact CZ2-CZ2 3.84Å; W195-W228 AromaticContact CZ2-NE1 3.69Å; W195-W228 AromaticContact CZ3-NE1 3.3Å; W195-W228 VanDerWaalsContact CZ3-NE1 3.3Å; W195-Q241 HydrophobicContact CE3-CB 4.15Å; W195-Q241 HydrophobicContact CZ3-CB 4.13Å; W195-C242 WeakPolarHBondContact CA-O 3.2Å; W195-L243 HydrophobicContact CD2-CB 4.38Å; W195-L243 HydrophobicContact CD2-CD1 4.08Å; W195-L243 HydrophobicContact CE3-CB 4.05Å; W195-L243 HydrophobicContact CG-CD1 4.41Å; W195-L243 HydrophobicContact CH2-CB 4.01Å; W195-L243 HydrophobicContact CZ2-CB 4.31Å; W195-L243 HydrophobicContact CZ2-CD1 4.26Å; W195-L243 HydrophobicContact CZ3-CB 3.86Å
196	E	94.1	Very high	95	Very high	16 Å²	16	38 Å²	38	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.8	177.8	-89	-55	150.6	0	0	112.2	R163 N171 I175 V194 Q202 M206 C242 Y244	R163-E196 IonicContact CZ-OE1 3.69Å; R163-E196 IonicContact NE-OE1 2.79Å; R163-E196 IonicContact NH2-OE1 2.62Å; R163-E196 PolarHBondContact NH2-OE1 2.88Å; N171-E196 PolarHBondContact ND2-OE1 2.79Å; I175-E196 HydrophobicContact CD1-CG 4.14Å; I175-E196 VanDerWaalsContact CD1-OE1 3.23Å; I175-E196 WeakPolarHBondContact CD1-OE1 3.35Å; V194-E196 HydrophobicContact CG1-CG 3.89Å; E196-Q202 HydrophobicContact CB-CG 3.9Å; E196-Q202 VanDerWaalsContact CD-NE2 3.34Å; E196-Q202 HydrophobicContact CG-CG 4.06Å; E196-Q202 PolarHBondContact OE2-NE2 3.23Å; E196-M206 HydrophobicContact CG-CE 4.5Å; E196-M206 HydrophobicContact CG-SD 4.08Å; E196-C242 PolarHBondContact N-O 3.37Å; E196-C242 PolarHBondContact O-N 2.91Å; E196-Y244 HydrophobicContact CB-CD2 3.86Å; E196-Y244 HydrophobicContact CB-CE2 3.65Å
197	T	91.4	Very high	95.2	Very high	60 Å²	60	40.4 Å²	40.4	37%	0.368	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	154.7	177.8	64.8	0	0	0	0	112.4	S199 Q240	T197-S199 PolarHBondContact O-N 3.5Å; T197-Q240 CarbonylContact C-O 3.55Å; T197-Q240 WeakPolarHBondContact CA-O 3.26Å
198	S	91.4	Very high	95.5	Very high	57 Å²	57	40.9 Å²	40.9	40%	0.399	24%	0.238	S	C	.	.			trans	-79.6	16.3	179.8	73.2	0	0	0	0	114.4	Q240 C242	S198-Q240 PolarHBondContact N-O 3.45Å; S198-C242 VanDerWaalsContact CA-SG 3.59Å; S198-C242 WeakPolarHBondContact CB-SG 3.46Å
199	S	92.9	Very high	95.8	Very high	38 Å²	38	40.2 Å²	40.2	27%	0.266	23%	0.233	S	C	.	.			trans	-71.6	145.9	-177.1	73.3	0	0	0	0	111.4	T197 E201 Q202 A203	T197-S199 PolarHBondContact O-N 3.5Å; S199-E201 PolarHBondContact O-N 3.36Å; S199-Q202 PolarHBondContact O-N 3Å; S199-Q202 WeakPolarHBondContact OG-CB 3.47Å; S199-Q202 PolarHBondContact OG-N 2.95Å; S199-A203 PolarHBondContact O-N 3.09Å
200	P	94.6	Very high	96	Very high	98 Å²	98	48.1 Å²	48.1	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-56.7	-37.8	176.4	-26.3	35.5	0	0	0	113.4	A203 K204	P200-A203 PolarHBondContact O-N 3.5Å; P200-K204 WeakPolarHBondContact O-CB 3.23Å; P200-K204 PolarHBondContact O-N 3.36Å
201	E	95.6	Very high	96.1	Very high	134 Å²	134	48.6 Å²	48.6	63%	0.626	27%	0.269	S	S	*	.	H	α-helix	trans	-65.5	-43.9	178.9	-62.4	71.7	-154.9	0	0	111	S199 K204 F205	S199-E201 PolarHBondContact O-N 3.36Å; E201-K204 PolarHBondContact O-N 3.3Å; E201-F205 PolarHBondContact O-N 3.22Å
202	Q	95	Very high	96.1	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.023	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-41.5	177.8	-169.4	60.8	26.5	0	0	110.9	Q172 E196 S199 K204 F205 M206	Q172-Q202 VanDerWaalsContact NE2-OE1 3.11Å; E196-Q202 HydrophobicContact CB-CG 3.9Å; E196-Q202 VanDerWaalsContact CD-NE2 3.34Å; E196-Q202 HydrophobicContact CG-CG 4.06Å; E196-Q202 PolarHBondContact OE2-NE2 3.23Å; S199-Q202 PolarHBondContact O-N 3Å; S199-Q202 WeakPolarHBondContact OG-CB 3.47Å; S199-Q202 PolarHBondContact OG-N 2.95Å; Q202-K204 VanDerWaalsContact C-N 3.33Å; Q202-K204 PolarHBondContact O-N 3.03Å; Q202-F205 WeakPolarHBondContact O-CB 3.26Å; Q202-F205 PolarHBondContact O-N 3.06Å; Q202-M206 HydrophobicContact CG-CG 4.46Å; Q202-M206 VanDerWaalsContact O-CG 3.28Å; Q202-M206 WeakPolarHBondContact O-CG 3.28Å; Q202-M206 PolarHBondContact O-N 2.84Å
203	A	96	Very high	96	Very high	29 Å²	29	56.3 Å²	56.3	24%	0.24	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-42.7	175.2	0	0	0	0	0	112.1	S199 P200 M206 A207	S199-A203 PolarHBondContact O-N 3.09Å; P200-A203 PolarHBondContact O-N 3.5Å; A203-M206 PolarHBondContact O-N 2.93Å; A203-A207 WeakPolarHBondContact O-CB 3.22Å; A203-A207 PolarHBondContact O-N 2.79Å
204	K	97.6	Very high	95.8	Very high	164 Å²	164	57.8 Å²	57.8	71%	0.713	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-42.4	174.8	-175	180	178.6	-177.4	0	111.9	P200 E201 Q202 A207 S208	P200-K204 WeakPolarHBondContact O-CB 3.23Å; P200-K204 PolarHBondContact O-N 3.36Å; E201-K204 PolarHBondContact O-N 3.3Å; Q202-K204 VanDerWaalsContact C-N 3.33Å; Q202-K204 PolarHBondContact O-N 3.03Å; K204-A207 PolarHBondContact O-N 3.39Å; K204-S208 PolarHBondContact O-N 3.24Å
205	F	98.2	Very high	95.7	Very high	30 Å²	30	57.9 Å²	57.9	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-49.6	175.2	167.5	-99.1	0	0	0	111.4	Q172 I175 E201 Q202 A207 S208 L209	Q172-F205 HydrophobicContact CB-CD1 4.45Å; Q172-F205 HydrophobicContact CB-CD2 4.16Å; Q172-F205 HydrophobicContact CB-CE1 3.96Å; Q172-F205 HydrophobicContact CB-CE2 3.64Å; Q172-F205 HydrophobicContact CB-CZ 3.53Å; Q172-F205 HydrophobicContact CG-CD1 3.8Å; Q172-F205 HydrophobicContact CG-CD2 3.99Å; Q172-F205 HydrophobicContact CG-CE1 3.73Å; Q172-F205 HydrophobicContact CG-CE2 3.94Å; Q172-F205 HydrophobicContact CG-CG 3.92Å; Q172-F205 HydrophobicContact CG-CZ 3.81Å; Q172-F205 VanDerWaalsContact O-CZ 3.22Å; Q172-F205 WeakPolarHBondContact O-CZ 3.48Å; I175-F205 HydrophobicContact CB-CE1 4.11Å; I175-F205 HydrophobicContact CB-CZ 4.26Å; I175-F205 HydrophobicContact CD1-CE1 4.12Å; I175-F205 HydrophobicContact CG2-CE1 4.02Å; I175-F205 HydrophobicContact CG2-CZ 4.36Å; E201-F205 PolarHBondContact O-N 3.22Å; Q202-F205 WeakPolarHBondContact O-CB 3.26Å; Q202-F205 PolarHBondContact O-N 3.06Å; F205-A207 VanDerWaalsContact C-N 3.32Å; F205-A207 PolarHBondContact O-N 3.35Å; F205-S208 WeakPolarHBondContact O-CB 3.41Å; F205-S208 PolarHBondContact O-N 3.5Å; F205-S208 VanDerWaalsContact O-N 3.08Å; F205-S208 PolarHBondContact O-OG 3Å; F205-L209 HydrophobicContact CE1-CD1 3.77Å; F205-L209 HydrophobicContact CE2-CD1 4.01Å; F205-L209 HydrophobicContact CE2-CG 4.39Å; F205-L209 HydrophobicContact CZ-CD1 3.41Å; F205-L209 VanDerWaalsContact CZ-CD1 3.41Å; F205-L209 HydrophobicContact CZ-CG 4.24Å; F205-L209 PolarHBondContact O-N 3.07Å
206	M	98.3	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-41.7	178.7	-66.6	-53.7	-73.1	0	0	111.9	I175 V194 E196 Q202 A203 S208 L209 K210 Y211 Y244	I175-M206 HydrophobicContact CD1-SD 4.36Å; I175-M206 HydrophobicContact CG2-CE 4.39Å; I175-M206 HydrophobicContact CG2-SD 4.18Å; V194-M206 HydrophobicContact CB-CE 3.99Å; V194-M206 HydrophobicContact CG1-CE 3.97Å; E196-M206 HydrophobicContact CG-CE 4.5Å; E196-M206 HydrophobicContact CG-SD 4.08Å; Q202-M206 HydrophobicContact CG-CG 4.46Å; Q202-M206 VanDerWaalsContact O-CG 3.28Å; Q202-M206 WeakPolarHBondContact O-CG 3.28Å; Q202-M206 PolarHBondContact O-N 2.84Å; A203-M206 PolarHBondContact O-N 2.93Å; M206-S208 VanDerWaalsContact C-N 3.32Å; M206-S208 PolarHBondContact O-N 2.83Å; M206-L209 CarbonylContact O-C 3.42Å; M206-L209 PolarHBondContact O-N 3.35Å; M206-L209 VanDerWaalsContact O-N 3.14Å; M206-K210 PolarHBondContact O-N 3.43Å; M206-Y211 HydrophobicContact CE-CD1 3.72Å; M206-Y211 HydrophobicContact CE-CD2 3.9Å; M206-Y211 HydrophobicContact CE-CE1 4.15Å; M206-Y211 HydrophobicContact CE-CE2 4.3Å; M206-Y211 HydrophobicContact CE-CG 3.6Å; M206-Y211 WeakPolarHBondContact O-CB 3.48Å; M206-Y211 PolarHBondContact O-N 3.18Å; M206-Y244 HydrophobicContact CB-CD1 3.63Å; M206-Y244 HydrophobicContact CB-CE1 3.62Å; M206-Y244 HydrophobicContact CB-CG 4.26Å; M206-Y244 HydrophobicContact CE-CD1 4.31Å; M206-Y244 HydrophobicContact CE-CD2 4.23Å; M206-Y244 HydrophobicContact CE-CG 3.82Å; M206-Y244 HydrophobicContact CG-CD1 3.9Å; M206-Y244 HydrophobicContact CG-CD2 4.23Å; M206-Y244 HydrophobicContact CG-CE1 3.86Å; M206-Y244 HydrophobicContact CG-CE2 4.19Å; M206-Y244 HydrophobicContact CG-CG 4.08Å
207	A	98	Very high	94.7	Very high	62 Å²	62	57 Å²	57	51%	0.512	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-36	175.4	0	0	0	0	0	112.7	A203 K204 F205 L209 K210	A203-A207 WeakPolarHBondContact O-CB 3.22Å; A203-A207 PolarHBondContact O-N 2.79Å; K204-A207 PolarHBondContact O-N 3.39Å; F205-A207 VanDerWaalsContact C-N 3.32Å; F205-A207 PolarHBondContact O-N 3.35Å; A207-L209 PolarHBondContact O-N 2.91Å; A207-K210 WeakPolarHBondContact O-CA 3.37Å; A207-K210 PolarHBondContact O-N 3.06Å
208	S	98.1	Very high	93.8	Very high	85 Å²	85	58.6 Å²	58.6	59%	0.594	32%	0.324	S	S	*	.	H	α-helix	trans	-63.2	-26.7	175.5	81	0	0	0	0	112.9	K204 F205 M206 K210	K204-S208 PolarHBondContact O-N 3.24Å; F205-S208 WeakPolarHBondContact O-CB 3.41Å; F205-S208 PolarHBondContact O-N 3.5Å; F205-S208 VanDerWaalsContact O-N 3.08Å; F205-S208 PolarHBondContact O-OG 3Å; M206-S208 VanDerWaalsContact C-N 3.32Å; M206-S208 PolarHBondContact O-N 2.83Å; S208-K210 VanDerWaalsContact C-N 3.32Å
209	L	98.1	Very high	92.9	Very high	31 Å²	31	61.7 Å²	61.7	16%	0.162	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.3	172.7	-62	-176.8	0	0	0	113.1	I175 K176 F205 M206 A207 Y211 I246	I175-L209 HydrophobicContact CG2-CD1 3.74Å; K176-L209 HydrophobicContact CB-CD1 4.46Å; K176-L209 HydrophobicContact CG-CD2 4.25Å; F205-L209 HydrophobicContact CE1-CD1 3.77Å; F205-L209 HydrophobicContact CE2-CD1 4.01Å; F205-L209 HydrophobicContact CE2-CG 4.39Å; F205-L209 HydrophobicContact CZ-CD1 3.41Å; F205-L209 VanDerWaalsContact CZ-CD1 3.41Å; F205-L209 HydrophobicContact CZ-CG 4.24Å; F205-L209 PolarHBondContact O-N 3.07Å; M206-L209 CarbonylContact O-C 3.42Å; M206-L209 PolarHBondContact O-N 3.35Å; M206-L209 VanDerWaalsContact O-N 3.14Å; A207-L209 PolarHBondContact O-N 2.91Å; L209-Y211 VanDerWaalsContact C-N 3.25Å; L209-Y211 HydrophobicContact CB-CD2 3.77Å; L209-Y211 HydrophobicContact CB-CE2 4.01Å; L209-Y211 HydrophobicContact CD1-CE2 4.5Å; L209-Y211 PolarHBondContact O-N 3.09Å; L209-I246 WeakPolarHBondContact O-CD1 3.48Å
210	K	97.7	Very high	91.4	Very high	171 Å²	171	69.1 Å²	69.1	74%	0.743	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	20.4	-177.5	-51.5	-179.9	-179.6	177.2	0	115.1	M206 A207 S208 I246	M206-K210 PolarHBondContact O-N 3.43Å; A207-K210 WeakPolarHBondContact O-CA 3.37Å; A207-K210 PolarHBondContact O-N 3.06Å; S208-K210 VanDerWaalsContact C-N 3.32Å; K210-I246 HydrophobicContact CB-CD1 4.42Å
211	Y	98.2	Very high	90.1	Very high	10 Å²	10	67.1 Å²	67.1	4%	0.039	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-72.7	139.2	168.5	-76.5	-104.9	0	0	0	110.6	T179 H192 V194 M206 L209 R245 I246	T179-Y211 HydrophobicContact CG2-CE2 3.82Å; T179-Y211 VanDerWaalsContact OG1-CE2 3.24Å; T179-Y211 WeakPolarHBondContact OG1-CE2 3.22Å; T179-Y211 PolarHBondContact OG1-OH 2.92Å; H192-Y211 PolarHBondContact CE1-OH 3.31Å; H192-Y211 AromaticContact ND1-CE1 3.99Å; H192-Y211 AromaticContact ND1-CZ 3.78Å; H192-Y211 PolarHBondContact ND1-OH 3.45Å; V194-Y211 HydrophobicContact CB-CE1 4.22Å; V194-Y211 HydrophobicContact CG2-CE1 3.73Å; M206-Y211 HydrophobicContact CE-CD1 3.72Å; M206-Y211 HydrophobicContact CE-CD2 3.9Å; M206-Y211 HydrophobicContact CE-CE1 4.15Å; M206-Y211 HydrophobicContact CE-CE2 4.3Å; M206-Y211 HydrophobicContact CE-CG 3.6Å; M206-Y211 WeakPolarHBondContact O-CB 3.48Å; M206-Y211 PolarHBondContact O-N 3.18Å; L209-Y211 VanDerWaalsContact C-N 3.25Å; L209-Y211 HydrophobicContact CB-CD2 3.77Å; L209-Y211 HydrophobicContact CB-CE2 4.01Å; L209-Y211 HydrophobicContact CD1-CE2 4.5Å; L209-Y211 PolarHBondContact O-N 3.09Å; Y211-R245 CarbonylContact C-O 3.58Å; Y211-R245 WeakPolarHBondContact CA-O 3.46Å; Y211-R245 VanDerWaalsContact CD1-C 3.44Å; Y211-I246 HydrophobicContact CD1-CB 3.88Å; Y211-I246 HydrophobicContact CD1-CG2 4.09Å; Y211-I246 HydrophobicContact CD2-CB 4.13Å; Y211-I246 HydrophobicContact CD2-CD1 4.49Å; Y211-I246 HydrophobicContact CD2-CG2 4.5Å; Y211-I246 HydrophobicContact CE1-CB 3.83Å; Y211-I246 HydrophobicContact CE1-CG2 3.49Å; Y211-I246 VanDerWaalsContact CE1-CG2 3.49Å; Y211-I246 HydrophobicContact CE2-CB 4.09Å; Y211-I246 HydrophobicContact CE2-CD1 4.31Å; Y211-I246 HydrophobicContact CE2-CG2 3.97Å; Y211-I246 HydrophobicContact CG-CB 4.03Å; Y211-I246 VanDerWaalsContact CZ-CG2 3.43Å
212	T	96.1	Very high	88.7	Confident	82 Å²	82	70.6 Å²	70.6	50%	0.503	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.2	167.5	-55.8	0	0	0	0	109.2	I214 Y244 R245	T212-I214 HydrophobicContact CG2-CD1 4.23Å; T212-I214 PolarHBondContact O-N 2.93Å; T212-Y244 CarbonylContact O-C 3.53Å; T212-Y244 WeakPolarHBondContact O-CA 3.39Å; T212-R245 PolarHBondContact N-O 3.11Å; T212-R245 PolarHBondContact O-N 2.71Å
213	Q	95.6	Very high	88	Confident	95 Å²	95	76.2 Å²	76.2	44%	0.444	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	116.8	168.2	-171.9	-177.1	-56.5	0	0	109.1	C216 C242 Y244	Q213-C216 PolarHBondContact NE2-SG 3.3Å; Q213-C242 HydrophobicContact CG-CB 4.49Å; Q213-Y244 HydrophobicContact CB-CD1 3.87Å; Q213-Y244 HydrophobicContact CB-CE1 3.61Å; Q213-Y244 HydrophobicContact CG-CD1 4.32Å; Q213-Y244 HydrophobicContact CG-CE1 3.87Å; Q213-Y244 PolarHBondContact OE1-OH 3.43Å
214	I	94.3	Very high	87.6	Confident	31 Å²	31	75.5 Å²	75.5	16%	0.159	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-53.8	-177.7	-58.1	-55.8	0	0	0	110.4	W142 A143 T212 L243 R245	W142-I214 HydrophobicContact CH2-CG2 4.49Å; W142-I214 HydrophobicContact CZ3-CG2 3.88Å; A143-I214 HydrophobicContact CB-CG2 4.06Å; T212-I214 HydrophobicContact CG2-CD1 4.23Å; T212-I214 PolarHBondContact O-N 2.93Å; I214-L243 PolarHBondContact N-O 2.98Å; I214-R245 HydrophobicContact CD1-CB 3.83Å; I214-R245 HydrophobicContact CG1-CB 3.73Å
215	I	93.5	Very high	87.3	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	152.5	-174.1	-161	81.9	0	0	0	109.6	W142 K219 T221 C226 C242 L243	W142-I215 HydrophobicContact CH2-CB 4.46Å; W142-I215 HydrophobicContact CH2-CD1 4.17Å; W142-I215 HydrophobicContact CZ3-CB 4.23Å; W142-I215 HydrophobicContact CZ3-CG2 4.19Å; I215-K219 HydrophobicContact CD1-CB 3.97Å; I215-K219 HydrophobicContact CD1-CD 3.91Å; I215-K219 HydrophobicContact CD1-CG 4.26Å; I215-K219 HydrophobicContact CG1-CB 4.44Å; I215-T221 HydrophobicContact CD1-CG2 4.06Å; I215-C226 HydrophobicContact CG2-CB 3.55Å; I215-C242 CarbonylContact O-C 3.57Å; I215-C242 WeakPolarHBondContact O-CA 3.1Å; I215-L243 HydrophobicContact CG2-CB 4.19Å; I215-L243 PolarHBondContact O-N 2.9Å
216	C	91.4	Very high	87	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.5	163.6	-55.5	0	0	0	0	108.6	Q213 D218 K219 N224 Q241 C242	Q213-C216 PolarHBondContact NE2-SG 3.3Å; C216-D218 PolarHBondContact O-N 2.98Å; C216-D218 VanDerWaalsContact O-N 3.12Å; C216-K219 PolarHBondContact O-N 3.5Å; C216-N224 PolarHBondContact O-ND2 2.73Å; C216-Q241 WeakPolarHBondContact CA-O 3.11Å; C216-C242 HydrophobicContact CB-CB 4.13Å; C216-C242 WeakPolarHBondContact CB-SG 3.36Å; C216-C242 WeakPolarHBondContact SG-CB 3.4Å; C216-C242 CovalentContact SG-SG 2.04Å; C216-C242 PolarHBondContact SG-SG 2.92Å
217	G	77.7	Confident	86.6	Confident	3 Å²	3	68.8 Å²	68.8	3%	0.031	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.1	-173.6	0	0	0	0	0	115.5	A238 Q241	G217-A238 WeakPolarHBondContact CA-O 3.46Å; G217-A238 PolarHBondContact N-O 3.12Å; G217-Q241 PolarHBondContact N-O 2.73Å; G217-Q241 VanDerWaalsContact N-O 3.16Å
218	D	72.3	Confident	86.2	Confident	92 Å²	92	65.9 Å²	65.9	49%	0.492	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.1	-179.7	57.1	-7.6	0	0	0	115.3	C216 Q220 K239	C216-D218 PolarHBondContact O-N 2.98Å; C216-D218 VanDerWaalsContact O-N 3.12Å; D218-Q220 PolarHBondContact O-N 3.1Å; D218-K239 HydrophobicContact CB-CB 3.5Å
219	K	71	Confident	85.8	Confident	122 Å²	122	65.2 Å²	65.2	53%	0.53	32%	0.322	S	S	.	.			trans	-70.6	111	-176.2	-164.8	169	177.6	-175	0	108.8	I215 C216 T221	I215-K219 HydrophobicContact CD1-CB 3.97Å; I215-K219 HydrophobicContact CD1-CD 3.91Å; I215-K219 HydrophobicContact CD1-CG 4.26Å; I215-K219 HydrophobicContact CG1-CB 4.44Å; C216-K219 PolarHBondContact O-N 3.5Å; K219-T221 HydrophobicContact CG-CG2 4.34Å; K219-T221 PolarHBondContact O-N 3.4Å
220	Q	62	Low	85.3	Confident	194 Å²	194	69.7 Å²	69.7	91%	0.907	34%	0.342	S	S	*	.			trans	-65.3	95.7	172.8	-68.9	-173.9	3.9	0	0	108.9	D218	D218-Q220 PolarHBondContact O-N 3.1Å
221	T	66.6	Low	84.8	Confident	56 Å²	56	63.6 Å²	63.6	34%	0.344	32%	0.317	S	S	.	.			trans	-111.4	155.5	161.5	57.5	0	0	0	0	107.7	I215 K219 I223 N224	I215-T221 HydrophobicContact CD1-CG2 4.06Å; K219-T221 HydrophobicContact CG-CG2 4.34Å; K219-T221 PolarHBondContact O-N 3.4Å; T221-I223 PolarHBondContact O-N 3.19Å; T221-I223 VanDerWaalsContact O-N 3.15Å; T221-I223 VanDerWaalsContact OG1-C 3.25Å; T221-I223 PolarHBondContact OG1-O 2.94Å; T221-N224 WeakPolarHBondContact OG1-CB 2.98Å
222	E	68.2	Low	84.3	Confident	207 Å²	207	66.1 Å²	66.1	97%	0.967	35%	0.346	S	S	*	.	S	Bend	trans	-54.4	-34.7	177.4	-71.3	-177.9	166.4	0	0	111.9
223	I	79.6	Confident	83.8	Confident	124 Å²	124	62.4 Å²	62.4	64%	0.636	32%	0.323	S	S	*	.			trans	-137.2	120.2	173.4	-56.5	171.5	0	0	0	107.4	T221 P225	T221-I223 PolarHBondContact O-N 3.19Å; T221-I223 VanDerWaalsContact O-N 3.15Å; T221-I223 VanDerWaalsContact OG1-C 3.25Å; T221-I223 PolarHBondContact OG1-O 2.94Å; I223-P225 HydrophobicContact CG2-CG 3.93Å
224	N	87.5	Confident	83.4	Confident	14 Å²	14	62.3 Å²	62.3	8%	0.075	33%	0.325	C	S	.	.			trans	-118.4	90	170.2	-177.1	-4.5	0	0	0	108.6	C216 T221 C226 N227 Q230	C216-N224 PolarHBondContact O-ND2 2.73Å; T221-N224 WeakPolarHBondContact OG1-CB 2.98Å; N224-C226 PolarHBondContact O-N 2.78Å; N224-C226 WeakPolarHBondContact OD1-CA 3.44Å; N224-C226 VanDerWaalsContact OD1-CB 3.31Å; N224-C226 WeakPolarHBondContact OD1-CB 3.42Å; N224-C226 PolarHBondContact OD1-N 2.79Å; N224-N227 HydrophobicContact CB-CB 4.23Å; N224-N227 PolarHBondContact O-N 3.36Å; N224-N227 VanDerWaalsContact O-N 3.12Å; N224-N227 PolarHBondContact OD1-N 2.58Å; N224-Q230 PolarHBondContact O-NE2 3.38Å
225	P	90.9	Very high	83.1	Confident	22 Å²	22	67.3 Å²	67.3	14%	0.143	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.6	179	-22.4	36.9	0	0	0	113.5	F135 W142 I223	F135-P225 VanDerWaalsContact CE2-O 3.27Å; F135-P225 WeakPolarHBondContact CE2-O 3.43Å; W142-P225 HydrophobicContact CB-CB 4.2Å; W142-P225 HydrophobicContact CB-CG 3.86Å; W142-P225 HydrophobicContact CD2-CG 4.04Å; W142-P225 HydrophobicContact CG-CB 4.39Å; W142-P225 HydrophobicContact CG-CG 3.61Å; I223-P225 HydrophobicContact CG2-CG 3.93Å
226	C	92.2	Very high	82.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.2	-179.4	-60.5	0	0	0	0	112.4	F135 C139 W195 I215 N224 W228	F135-C226 VanDerWaalsContact CZ-C 3.48Å; C139-C226 WeakPolarHBondContact CA-SG 3.3Å; C139-C226 HydrophobicContact CB-CB 3.96Å; C139-C226 WeakPolarHBondContact CB-SG 3.4Å; C139-C226 VanDerWaalsContact SG-CA 3.59Å; C139-C226 WeakPolarHBondContact SG-CB 3.46Å; C139-C226 CovalentContact SG-SG 2.03Å; C139-C226 PolarHBondContact SG-SG 3.13Å; W195-C226 HydrophobicContact CH2-CB 3.98Å; I215-C226 HydrophobicContact CG2-CB 3.55Å; N224-C226 PolarHBondContact O-N 2.78Å; N224-C226 WeakPolarHBondContact OD1-CA 3.44Å; N224-C226 VanDerWaalsContact OD1-CB 3.31Å; N224-C226 WeakPolarHBondContact OD1-CB 3.42Å; N224-C226 PolarHBondContact OD1-N 2.79Å; C226-W228 PolarHBondContact O-N 2.94Å
227	N	90.6	Very high	82.7	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.16	38%	0.375	C	S	.	.			trans	-81.3	105.1	175.3	-173.9	0.3	0	0	0	111.3	F135 N224 E229 Q230	F135-N227 VanDerWaalsContact CE2-O 3.31Å; F135-N227 WeakPolarHBondContact CE2-O 3.08Å; N224-N227 HydrophobicContact CB-CB 4.23Å; N224-N227 PolarHBondContact O-N 3.36Å; N224-N227 VanDerWaalsContact O-N 3.12Å; N224-N227 PolarHBondContact OD1-N 2.58Å; N227-E229 PolarHBondContact ND2-OE1 2.89Å; N227-E229 PolarHBondContact O-N 2.66Å; N227-E229 VanDerWaalsContact O-N 3.09Å; N227-E229 WeakPolarHBondContact OD1-CB 3.5Å; N227-E229 WeakPolarHBondContact OD1-CG 3.39Å; N227-E229 PolarHBondContact OD1-N 2.8Å; N227-Q230 WeakPolarHBondContact O-CB 3.07Å; N227-Q230 VanDerWaalsContact O-CG 3.32Å; N227-Q230 WeakPolarHBondContact O-CG 3.23Å; N227-Q230 PolarHBondContact O-N 3.07Å
228	W	88.8	Confident	83.2	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.008	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-59.4	-17.8	178.1	-69.2	90.9	0	0	0	114.6	K68 I132 F135 W195 C226 Q230 L231 M233 A238	K68-W228 HydrophobicContact CB-CZ3 4.35Å; K68-W228 HydrophobicContact CD-CD2 4.48Å; K68-W228 HydrophobicContact CD-CE3 4.14Å; K68-W228 HydrophobicContact CD-CH2 3.34Å; K68-W228 HydrophobicContact CD-CZ2 3.67Å; K68-W228 HydrophobicContact CD-CZ3 3.57Å; K68-W228 HydrophobicContact CG-CD2 4.4Å; K68-W228 HydrophobicContact CG-CE3 3.92Å; K68-W228 HydrophobicContact CG-CH2 4.04Å; K68-W228 HydrophobicContact CG-CZ2 4.44Å; K68-W228 HydrophobicContact CG-CZ3 3.73Å; K68-W228 VanDerWaalsContact NZ-CZ2 3.33Å; I132-W228 HydrophobicContact CG2-CH2 4.4Å; I132-W228 HydrophobicContact CG2-CZ3 4.22Å; F135-W228 HydrophobicContact CD1-CD2 4.39Å; F135-W228 HydrophobicContact CD1-CE3 4.1Å; F135-W228 AromaticContact CD1-CH2 3.85Å; F135-W228 HydrophobicContact CD1-CH2 3.85Å; F135-W228 HydrophobicContact CD1-CZ2 4.21Å; F135-W228 AromaticContact CD1-CZ3 3.82Å; F135-W228 HydrophobicContact CD1-CZ3 3.82Å; F135-W228 AromaticContact CE1-CD2 3.54Å; F135-W228 HydrophobicContact CE1-CD2 3.54Å; F135-W228 AromaticContact CE1-CE2 3.48Å; F135-W228 VanDerWaalsContact CE1-CE2 3.48Å; F135-W228 AromaticContact CE1-CE3 3.69Å; F135-W228 HydrophobicContact CE1-CE3 3.69Å; F135-W228 HydrophobicContact CE1-CG 4.14Å; F135-W228 AromaticContact CE1-CH2 3.65Å; F135-W228 HydrophobicContact CE1-CH2 3.65Å; F135-W228 AromaticContact CE1-CZ2 3.55Å; F135-W228 HydrophobicContact CE1-CZ2 3.55Å; F135-W228 AromaticContact CE1-CZ3 3.75Å; F135-W228 HydrophobicContact CE1-CZ3 3.75Å; F135-W228 AromaticContact CZ-CD2 3.92Å; F135-W228 HydrophobicContact CZ-CD2 3.92Å; F135-W228 HydrophobicContact CZ-CE3 4.32Å; F135-W228 HydrophobicContact CZ-CG 4.03Å; W195-W228 HydrophobicContact CD2-CZ2 4.37Å; W195-W228 AromaticContact CE2-CZ2 3.88Å; W195-W228 AromaticContact CE3-NE1 3.82Å; W195-W228 HydrophobicContact CH2-CZ2 4.28Å; W195-W228 AromaticContact CH2-NE1 3.21Å; W195-W228 AromaticContact CZ2-CZ2 3.84Å; W195-W228 HydrophobicContact CZ2-CZ2 3.84Å; W195-W228 AromaticContact CZ2-NE1 3.69Å; W195-W228 AromaticContact CZ3-NE1 3.3Å; W195-W228 VanDerWaalsContact CZ3-NE1 3.3Å; C226-W228 PolarHBondContact O-N 2.94Å; W228-Q230 PolarHBondContact O-N 2.85Å; W228-L231 HydrophobicContact CE3-CD1 3.81Å; W228-L231 HydrophobicContact CZ3-CD1 3.77Å; W228-L231 PolarHBondContact O-N 3.42Å; W228-M233 HydrophobicContact CB-CB 4.03Å; W228-M233 HydrophobicContact CB-CE 3.99Å; W228-M233 HydrophobicContact CB-CG 4.41Å; W228-M233 HydrophobicContact CB-SD 3.63Å; W228-M233 HydrophobicContact CD2-CE 4.18Å; W228-M233 HydrophobicContact CE3-CE 4.06Å; W228-M233 HydrophobicContact CG-CE 4.17Å; W228-M233 HydrophobicContact CG-SD 4.17Å; W228-M233 WeakPolarHBondContact O-CB 3.29Å; W228-M233 PolarHBondContact O-N 3.33Å; W228-A238 HydrophobicContact CB-CB 3.99Å
229	E	88.7	Confident	83.9	Confident	70 Å²	70	72.4 Å²	72.4	33%	0.327	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-58	-26.7	171.4	-66.9	-177.6	-99.5	0	0	112	N227 L231 G232 K235 A238	N227-E229 PolarHBondContact ND2-OE1 2.89Å; N227-E229 PolarHBondContact O-N 2.66Å; N227-E229 VanDerWaalsContact O-N 3.09Å; N227-E229 WeakPolarHBondContact OD1-CB 3.5Å; N227-E229 WeakPolarHBondContact OD1-CG 3.39Å; N227-E229 PolarHBondContact OD1-N 2.8Å; E229-L231 PolarHBondContact O-N 3.31Å; E229-G232 PolarHBondContact O-N 2.6Å; E229-K235 HydrophobicContact CG-CB 4.34Å; E229-K235 VanDerWaalsContact OE2-CB 3.29Å; E229-K235 WeakPolarHBondContact OE2-CB 3.49Å; E229-K235 WeakPolarHBondContact OE2-CG 3.43Å; E229-A238 HydrophobicContact CG-CB 3.72Å
230	Q	87.8	Confident	84.9	Confident	125 Å²	125	69.8 Å²	69.8	58%	0.584	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23.3	176.9	-65.6	176	31	0	0	113.2	N224 N227 W228	N224-Q230 PolarHBondContact O-NE2 3.38Å; N227-Q230 WeakPolarHBondContact O-CB 3.07Å; N227-Q230 VanDerWaalsContact O-CG 3.32Å; N227-Q230 WeakPolarHBondContact O-CG 3.23Å; N227-Q230 PolarHBondContact O-N 3.07Å; W228-Q230 PolarHBondContact O-N 2.85Å
231	L	87.7	Confident	86.2	Confident	44 Å²	44	61.2 Å²	61.2	23%	0.23	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-92.7	-2.6	174.1	-68.1	174.4	0	0	0	112.6	F72 D131 I132 F135 W228 E229	F72-L231 HydrophobicContact CE1-CB 3.93Å; F72-L231 WeakPolarHBondContact CE1-O 3.49Å; F72-L231 HydrophobicContact CE2-CB 4.15Å; F72-L231 HydrophobicContact CE2-CD1 4.3Å; F72-L231 HydrophobicContact CZ-CB 3.43Å; F72-L231 VanDerWaalsContact CZ-CB 3.43Å; F72-L231 HydrophobicContact CZ-CD1 4.36Å; D131-L231 HydrophobicContact CB-CD2 4.3Å; I132-L231 HydrophobicContact CG1-CD1 4.11Å; F135-L231 HydrophobicContact CB-CD1 3.7Å; F135-L231 HydrophobicContact CB-CD2 4.01Å; F135-L231 HydrophobicContact CB-CG 4.02Å; F135-L231 HydrophobicContact CD1-CD1 3.72Å; F135-L231 HydrophobicContact CD2-CD1 4.21Å; F135-L231 HydrophobicContact CD2-CG 4.18Å; F135-L231 HydrophobicContact CE1-CD1 4.43Å; F135-L231 HydrophobicContact CG-CD1 3.59Å; F135-L231 HydrophobicContact CG-CG 3.98Å; W228-L231 HydrophobicContact CE3-CD1 3.81Å; W228-L231 HydrophobicContact CZ3-CD1 3.77Å; W228-L231 PolarHBondContact O-N 3.42Å; E229-L231 PolarHBondContact O-N 3.31Å
232	G	87	Confident	87.6	Confident	62 Å²	62	58.6 Å²	58.6	64%	0.639	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	12.5	-176.8	0	0	0	0	0	114.8	E229	E229-G232 PolarHBondContact O-N 2.6Å
233	M	86.7	Confident	88.9	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.025	26%	0.256	C	S	.	.			trans	-68.5	140.3	171.7	-175.9	178.3	-68.3	0	0	110.7	K68 F72 W228 K235 F237 A238 Q241	K68-M233 HydrophobicContact CB-CE 4.3Å; K68-M233 HydrophobicContact CG-CE 3.68Å; F72-M233 HydrophobicContact CZ-CB 4.35Å; W228-M233 HydrophobicContact CB-CB 4.03Å; W228-M233 HydrophobicContact CB-CE 3.99Å; W228-M233 HydrophobicContact CB-CG 4.41Å; W228-M233 HydrophobicContact CB-SD 3.63Å; W228-M233 HydrophobicContact CD2-CE 4.18Å; W228-M233 HydrophobicContact CE3-CE 4.06Å; W228-M233 HydrophobicContact CG-CE 4.17Å; W228-M233 HydrophobicContact CG-SD 4.17Å; W228-M233 WeakPolarHBondContact O-CB 3.29Å; W228-M233 PolarHBondContact O-N 3.33Å; M233-K235 PolarHBondContact O-N 3.28Å; M233-F237 HydrophobicContact CG-CB 3.88Å; M233-F237 HydrophobicContact SD-CB 4Å; M233-A238 HydrophobicContact CG-CB 4.4Å; M233-A238 HydrophobicContact SD-CB 4.19Å; M233-Q241 HydrophobicContact SD-CG 4.39Å
234	D	87.4	Confident	89.7	Confident	93 Å²	93	43 Å²	43	50%	0.497	23%	0.227	S	C	.	.			trans	-57.5	139.5	173.9	-63.6	-79.5	0	0	0	112	S236 F237 A238	D234-S236 PolarHBondContact O-N 3.25Å; D234-S236 VanDerWaalsContact O-N 3.15Å; D234-F237 HydrophobicContact CB-CB 4.5Å; D234-F237 HydrophobicContact CB-CD2 3.76Å; D234-F237 HydrophobicContact CB-CE2 4.45Å; D234-F237 WeakPolarHBondContact O-CA 3.42Å; D234-F237 WeakPolarHBondContact O-CB 3.29Å; D234-F237 PolarHBondContact O-N 2.79Å; D234-A238 PolarHBondContact O-N 3.1Å
235	K	87.3	Confident	90.2	Very high	135 Å²	135	44 Å²	44	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-52.1	-39.2	177.7	-172.3	166.6	-175.5	171.2	0	114.2	E229 M233 F237 K239	E229-K235 HydrophobicContact CG-CB 4.34Å; E229-K235 VanDerWaalsContact OE2-CB 3.29Å; E229-K235 WeakPolarHBondContact OE2-CB 3.49Å; E229-K235 WeakPolarHBondContact OE2-CG 3.43Å; M233-K235 PolarHBondContact O-N 3.28Å; K235-F237 PolarHBondContact O-N 2.78Å; K235-K239 WeakPolarHBondContact O-CB 3.34Å; K235-K239 WeakPolarHBondContact O-CG 3.48Å; K235-K239 PolarHBondContact O-N 2.84Å; K235-K239 VanDerWaalsContact O-N 3.12Å
236	S	88.3	Confident	90.5	Very high	57 Å²	57	43.4 Å²	43.4	40%	0.399	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-22.7	180	60.4	0	0	0	0	113.1	D234 K239 Q240	D234-S236 PolarHBondContact O-N 3.25Å; D234-S236 VanDerWaalsContact O-N 3.15Å; S236-K239 VanDerWaalsContact O-CE 3.28Å; S236-K239 WeakPolarHBondContact O-CE 3.32Å; S236-K239 VanDerWaalsContact O-CG 3.25Å; S236-K239 WeakPolarHBondContact O-CG 3.07Å; S236-Q240 WeakPolarHBondContact O-CG 3.44Å; S236-Q240 PolarHBondContact O-NE2 3.06Å
237	F	87.8	Confident	90.7	Very high	69 Å²	69	44.9 Å²	44.9	30%	0.303	23%	0.232	S	C	.	.	H	α-helix	trans	-95.8	-45.5	178.1	-75.2	-40.3	0	0	0	111.5	M67 M233 D234 K235 K239 Q240	M67-F237 HydrophobicContact CE-CB 4.45Å; M67-F237 HydrophobicContact CE-CD1 3.3Å; M67-F237 HydrophobicContact CE-CE1 3.76Å; M67-F237 HydrophobicContact CE-CG 4.04Å; M67-F237 HydrophobicContact CG-CB 4.24Å; M67-F237 HydrophobicContact CG-CD1 4.29Å; M67-F237 HydrophobicContact CG-CG 4.12Å; M67-F237 HydrophobicContact SD-CB 3.29Å; M67-F237 WeakPolarHBondContact SD-CB 3.28Å; M67-F237 HydrophobicContact SD-CD1 3.3Å; M67-F237 WeakPolarHBondContact SD-CD1 3.35Å; M67-F237 HydrophobicContact SD-CD2 4.33Å; M67-F237 HydrophobicContact SD-CE1 4.22Å; M67-F237 HydrophobicContact SD-CG 3.38Å; M67-F237 WeakPolarHBondContact SD-CG 3.29Å; M233-F237 HydrophobicContact CG-CB 3.88Å; M233-F237 HydrophobicContact SD-CB 4Å; D234-F237 HydrophobicContact CB-CB 4.5Å; D234-F237 HydrophobicContact CB-CD2 3.76Å; D234-F237 HydrophobicContact CB-CE2 4.45Å; D234-F237 WeakPolarHBondContact O-CA 3.42Å; D234-F237 WeakPolarHBondContact O-CB 3.29Å; D234-F237 PolarHBondContact O-N 2.79Å; K235-F237 PolarHBondContact O-N 2.78Å; F237-K239 PolarHBondContact O-N 3.04Å; F237-Q240 WeakPolarHBondContact O-CB 3.4Å; F237-Q240 PolarHBondContact O-N 2.9Å
238	A	88	Confident	90.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-41.2	176.8	0	0	0	0	0	111.7	G217 W228 E229 M233 D234 Q240 Q241	G217-A238 WeakPolarHBondContact CA-O 3.46Å; G217-A238 PolarHBondContact N-O 3.12Å; W228-A238 HydrophobicContact CB-CB 3.99Å; E229-A238 HydrophobicContact CG-CB 3.72Å; M233-A238 HydrophobicContact CG-CB 4.4Å; M233-A238 HydrophobicContact SD-CB 4.19Å; D234-A238 PolarHBondContact O-N 3.1Å; A238-Q240 PolarHBondContact O-N 2.73Å; A238-Q241 WeakPolarHBondContact O-CB 3.46Å; A238-Q241 PolarHBondContact O-N 2.79Å
239	K	88.5	Confident	91	Very high	90 Å²	90	47 Å²	47	39%	0.391	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28	176.2	71	179.9	-172.2	174.4	0	114.6	D218 K235 S236 F237 Q241	D218-K239 HydrophobicContact CB-CB 3.5Å; K235-K239 WeakPolarHBondContact O-CB 3.34Å; K235-K239 WeakPolarHBondContact O-CG 3.48Å; K235-K239 PolarHBondContact O-N 2.84Å; K235-K239 VanDerWaalsContact O-N 3.12Å; S236-K239 VanDerWaalsContact O-CE 3.28Å; S236-K239 WeakPolarHBondContact O-CE 3.32Å; S236-K239 VanDerWaalsContact O-CG 3.25Å; S236-K239 WeakPolarHBondContact O-CG 3.07Å; F237-K239 PolarHBondContact O-N 3.04Å; K239-Q241 VanDerWaalsContact C-N 3.26Å; K239-Q241 PolarHBondContact O-N 2.88Å
240	Q	90.3	Very high	90.7	Very high	66 Å²	66	50.8 Å²	50.8	31%	0.308	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.8	-178.4	-60.2	178.6	32.6	0	0	111.8	T197 S198 S236 F237 A238	T197-Q240 CarbonylContact C-O 3.55Å; T197-Q240 WeakPolarHBondContact CA-O 3.26Å; S198-Q240 PolarHBondContact N-O 3.45Å; S236-Q240 WeakPolarHBondContact O-CG 3.44Å; S236-Q240 PolarHBondContact O-NE2 3.06Å; F237-Q240 WeakPolarHBondContact O-CB 3.4Å; F237-Q240 PolarHBondContact O-N 2.9Å; A238-Q240 PolarHBondContact O-N 2.73Å
241	Q	91	Very high	90.8	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.1	-177.8	-56.8	-57.9	-49.4	0	0	109.6	W195 C216 G217 M233 A238 K239	W195-Q241 HydrophobicContact CE3-CB 4.15Å; W195-Q241 HydrophobicContact CZ3-CB 4.13Å; C216-Q241 WeakPolarHBondContact CA-O 3.11Å; G217-Q241 PolarHBondContact N-O 2.73Å; G217-Q241 VanDerWaalsContact N-O 3.16Å; M233-Q241 HydrophobicContact SD-CG 4.39Å; A238-Q241 WeakPolarHBondContact O-CB 3.46Å; A238-Q241 PolarHBondContact O-N 2.79Å; K239-Q241 VanDerWaalsContact C-N 3.26Å; K239-Q241 PolarHBondContact O-N 2.88Å
242	C	94.5	Very high	91	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.7	177.1	-61.9	0	0	0	0	110.6	W195 E196 S198 Q213 I215 C216 Y244	W195-C242 WeakPolarHBondContact CA-O 3.2Å; E196-C242 PolarHBondContact N-O 3.37Å; E196-C242 PolarHBondContact O-N 2.91Å; S198-C242 VanDerWaalsContact CA-SG 3.59Å; S198-C242 WeakPolarHBondContact CB-SG 3.46Å; Q213-C242 HydrophobicContact CG-CB 4.49Å; I215-C242 CarbonylContact O-C 3.57Å; I215-C242 WeakPolarHBondContact O-CA 3.1Å; C216-C242 HydrophobicContact CB-CB 4.13Å; C216-C242 WeakPolarHBondContact CB-SG 3.36Å; C216-C242 WeakPolarHBondContact SG-CB 3.4Å; C216-C242 CovalentContact SG-SG 2.04Å; C216-C242 PolarHBondContact SG-SG 2.92Å; C242-Y244 HydrophobicContact CB-CD2 4.28Å; C242-Y244 HydrophobicContact CB-CE2 3.57Å
243	L	95.7	Very high	91.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.8	173.1	-178.4	64.7	0	0	0	109.6	Y140 A143 F193 W195 I214 I215	Y140-L243 HydrophobicContact CD1-CD1 4.38Å; Y140-L243 HydrophobicContact CD1-CD2 4.31Å; Y140-L243 HydrophobicContact CE1-CD1 3.82Å; Y140-L243 HydrophobicContact CE1-CD2 4.47Å; A143-L243 HydrophobicContact CB-CD2 3.6Å; F193-L243 HydrophobicContact CB-CD1 4.02Å; F193-L243 HydrophobicContact CD1-CD1 3.98Å; F193-L243 HydrophobicContact CD1-CD2 4.14Å; F193-L243 HydrophobicContact CD1-CG 4.14Å; F193-L243 HydrophobicContact CE1-CD2 4.24Å; F193-L243 HydrophobicContact CG-CD1 4.24Å; W195-L243 HydrophobicContact CD2-CB 4.38Å; W195-L243 HydrophobicContact CD2-CD1 4.08Å; W195-L243 HydrophobicContact CE3-CB 4.05Å; W195-L243 HydrophobicContact CG-CD1 4.41Å; W195-L243 HydrophobicContact CH2-CB 4.01Å; W195-L243 HydrophobicContact CZ2-CB 4.31Å; W195-L243 HydrophobicContact CZ2-CD1 4.26Å; W195-L243 HydrophobicContact CZ3-CB 3.86Å; I214-L243 PolarHBondContact N-O 2.98Å; I215-L243 HydrophobicContact CG2-CB 4.19Å; I215-L243 PolarHBondContact O-N 2.9Å
244	Y	97.3	Very high	91.5	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.3	175.5	-67.2	-94.5	0	0	0	110.5	F193 V194 E196 M206 T212 Q213 C242	F193-Y244 WeakPolarHBondContact CA-O 3.32Å; V194-Y244 PolarHBondContact N-O 3.18Å; V194-Y244 PolarHBondContact O-N 2.67Å; E196-Y244 HydrophobicContact CB-CD2 3.86Å; E196-Y244 HydrophobicContact CB-CE2 3.65Å; M206-Y244 HydrophobicContact CB-CD1 3.63Å; M206-Y244 HydrophobicContact CB-CE1 3.62Å; M206-Y244 HydrophobicContact CB-CG 4.26Å; M206-Y244 HydrophobicContact CE-CD1 4.31Å; M206-Y244 HydrophobicContact CE-CD2 4.23Å; M206-Y244 HydrophobicContact CE-CG 3.82Å; M206-Y244 HydrophobicContact CG-CD1 3.9Å; M206-Y244 HydrophobicContact CG-CD2 4.23Å; M206-Y244 HydrophobicContact CG-CE1 3.86Å; M206-Y244 HydrophobicContact CG-CE2 4.19Å; M206-Y244 HydrophobicContact CG-CG 4.08Å; T212-Y244 CarbonylContact O-C 3.53Å; T212-Y244 WeakPolarHBondContact O-CA 3.39Å; Q213-Y244 HydrophobicContact CB-CD1 3.87Å; Q213-Y244 HydrophobicContact CB-CE1 3.61Å; Q213-Y244 HydrophobicContact CG-CD1 4.32Å; Q213-Y244 HydrophobicContact CG-CE1 3.87Å; Q213-Y244 PolarHBondContact OE1-OH 3.43Å; C242-Y244 HydrophobicContact CB-CD2 4.28Å; C242-Y244 HydrophobicContact CB-CE2 3.57Å
245	R	97.5	Very high	91.7	Very high	36 Å²	36	46.1 Å²	46.1	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137	178	-173.1	-175.7	64.4	-155.4	1.2	111.7	A143 H192 F193 Y211 T212 I214	A143-R245 PolarHBondContact O-NH1 3.3Å; H192-R245 WeakPolarHBondContact O-CA 3.35Å; F193-R245 HydrophobicContact CD1-CB 3.76Å; F193-R245 HydrophobicContact CD1-CG 3.86Å; F193-R245 HydrophobicContact CE1-CB 3.7Å; F193-R245 HydrophobicContact CE1-CG 3.58Å; F193-R245 HydrophobicContact CZ-CG 4.38Å; Y211-R245 CarbonylContact C-O 3.58Å; Y211-R245 WeakPolarHBondContact CA-O 3.46Å; Y211-R245 VanDerWaalsContact CD1-C 3.44Å; T212-R245 PolarHBondContact N-O 3.11Å; T212-R245 PolarHBondContact O-N 2.71Å; I214-R245 HydrophobicContact CD1-CB 3.83Å; I214-R245 HydrophobicContact CG1-CB 3.73Å
246	I	97.5	Very high	92	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.1	161.8	-168.8	173.2	0	0	0	109.3	T179 F182 L183 Y191 H192 L209 K210 Y211	T179-I246 HydrophobicContact CG2-CD1 3.77Å; F182-I246 HydrophobicContact CD1-CG2 3.91Å; F182-I246 HydrophobicContact CE1-CG2 3.68Å; L183-I246 HydrophobicContact CD1-CD1 4.17Å; L183-I246 HydrophobicContact CD2-CD1 4.02Å; L183-I246 HydrophobicContact CG-CD1 4.36Å; Y191-I246 CarbonylContact C-O 3.53Å; Y191-I246 WeakPolarHBondContact CA-O 3.11Å; Y191-I246 WeakPolarHBondContact CB-O 3.46Å; H192-I246 HydrophobicContact CB-CG2 3.86Å; H192-I246 PolarHBondContact N-O 3.43Å; H192-I246 PolarHBondContact O-N 3.49Å; L209-I246 WeakPolarHBondContact O-CD1 3.48Å; K210-I246 HydrophobicContact CB-CD1 4.42Å; Y211-I246 HydrophobicContact CD1-CB 3.88Å; Y211-I246 HydrophobicContact CD1-CG2 4.09Å; Y211-I246 HydrophobicContact CD2-CB 4.13Å; Y211-I246 HydrophobicContact CD2-CD1 4.49Å; Y211-I246 HydrophobicContact CD2-CG2 4.5Å; Y211-I246 HydrophobicContact CE1-CB 3.83Å; Y211-I246 HydrophobicContact CE1-CG2 3.49Å; Y211-I246 VanDerWaalsContact CE1-CG2 3.49Å; Y211-I246 HydrophobicContact CE2-CB 4.09Å; Y211-I246 HydrophobicContact CE2-CD1 4.31Å; Y211-I246 HydrophobicContact CE2-CG2 3.97Å; Y211-I246 HydrophobicContact CG-CB 4.03Å; Y211-I246 VanDerWaalsContact CZ-CG2 3.43Å
247	I	96.1	Very high	92.3	Very high	31 Å²	31	39 Å²	39	16%	0.159	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.1	175.7	-56.2	170.6	0	0	0	107.1	P145 I148 A190 T249	P145-I247 HydrophobicContact CB-CD1 3.63Å; P145-I247 HydrophobicContact CB-CG1 4.4Å; P145-I247 HydrophobicContact CG-CD1 4.14Å; P145-I247 HydrophobicContact CG-CG1 4.4Å; I148-I247 HydrophobicContact CD1-CD1 3.77Å; I148-I247 HydrophobicContact CG2-CD1 4.44Å; A190-I247 CarbonylContact O-C 3.56Å; A190-I247 WeakPolarHBondContact O-CA 3.31Å; I247-T249 HydrophobicContact CG2-CG2 4.49Å; I247-T249 PolarHBondContact O-N 2.71Å
248	N	94.9	Very high	92.6	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	18%	0.184	C	C	.	.			trans	-76.5	114.3	170	-169.6	5.1	0	0	0	109	F182 L183 S186 D189 A190 D250	F182-N248 HydrophobicContact CE1-CB 4.06Å; F182-N248 HydrophobicContact CZ-CB 4.03Å; L183-N248 HydrophobicContact CD2-CB 4.36Å; L183-N248 PolarHBondContact O-ND2 3.04Å; S186-N248 PolarHBondContact O-ND2 2.92Å; S186-N248 PolarHBondContact OG-ND2 3Å; S186-N248 VanDerWaalsContact OG-ND2 3.14Å; D189-N248 WeakPolarHBondContact CA-O 3.32Å; D189-N248 PolarHBondContact N-O 3.31Å; A190-N248 PolarHBondContact O-N 2.89Å; N248-D250 PolarHBondContact OD1-N 3.3Å
249	T	90.3	Very high	93	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.442	20%	0.199	S	C	.	.			trans	-101.4	-5.2	-175.8	55	0	0	0	0	114	K150 I247	K150-T249 PolarHBondContact NZ-O 3.37Å; I247-T249 HydrophobicContact CG2-CG2 4.49Å; I247-T249 PolarHBondContact O-N 2.71Å
250	D	82.7	Confident	93.4	Very high	151 Å²	151	35.2 Å²	35.2	81%	0.807	18%	0.182	S	C	*	.			trans	-94.5	0	-177.9	-59	-15.9	0	0	0	110	T188 N248	T188-D250 WeakPolarHBondContact CA-OXT 2.95Å; T188-D250 VanDerWaalsContact CB-OXT 3.27Å; T188-D250 WeakPolarHBondContact CB-OXT 3.47Å; T188-D250 WeakPolarHBondContact CG2-OXT 3.35Å; T188-D250 VanDerWaalsContact OG1-C 3.3Å; T188-D250 PolarHBondContact OG1-O 2.93Å; T188-D250 PolarHBondContact OG1-OXT 3.45Å; N248-D250 PolarHBondContact OD1-N 3.3Å

Retrieved 250 of 250 residues in 57.4 ms (Link to these results)

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