V9TJE9_SCHMA Loading...

Nicotinic acetylcholine receptor

AlphaFold DB , UniProt , Accession V9TJE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 675 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	49.2	Very low	63.5	Low	222 Å²	222	137.5 Å²	137.5	100%	1.094	65%	0.652	S	S	*	*				0	-50.4	0	-82.2	-177.4	167.8	0	0	113.7	S3 Y4	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.8Å; M1-S3 VanDerWaalsContact O-N 3.07Å; M1-Y4 PolarHBondContact O-N 3.46Å; M1-Y4 VanDerWaalsContact O-N 3.08Å
2	C	45.3	Very low	64.7	Low	108 Å²	108	136.1 Å²	136.1	73%	0.73	65%	0.65	S	S	*	*	H	α-helix	trans	-48.8	-40.5	-168.5	-51.1	0	0	0	0	116.7	Y4 Y5 F6	C2-Y4 VanDerWaalsContact C-N 3.33Å; C2-Y4 PolarHBondContact O-N 3.06Å; C2-Y5 PolarHBondContact O-N 3.3Å; C2-F6 PolarHBondContact O-N 3.07Å
3	S	51.6	Low	65.9	Low	87 Å²	87	132.8 Å²	132.8	61%	0.608	64%	0.637	S	S	*	*	H	α-helix	trans	-57.3	-41.3	179.5	-176.1	0	0	0	0	113.4	M1 Y5 F6 I7	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.8Å; M1-S3 VanDerWaalsContact O-N 3.07Å; S3-Y5 VanDerWaalsContact C-N 3.28Å; S3-Y5 PolarHBondContact O-N 3.46Å; S3-F6 PolarHBondContact O-N 3.26Å; S3-I7 WeakPolarHBondContact O-CG1 3.45Å; S3-I7 PolarHBondContact O-N 2.97Å
4	Y	57.9	Low	66.9	Low	175 Å²	175	132.9 Å²	132.9	69%	0.686	63%	0.634	S	S	*	*	H	α-helix	trans	-66.6	-30	-177.3	-142.2	-94.6	0	0	0	112.7	M1 C2 N8	M1-Y4 PolarHBondContact O-N 3.46Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; C2-Y4 VanDerWaalsContact C-N 3.33Å; C2-Y4 PolarHBondContact O-N 3.06Å; Y4-N8 PolarHBondContact O-N 2.93Å
5	Y	60.9	Low	68	Low	194 Å²	194	129.7 Å²	129.7	76%	0.761	62%	0.62	S	S	*	*	H	α-helix	trans	-76.5	-29.9	179.3	-126.5	-83.6	0	0	0	112.6	C2 S3 K9	C2-Y5 PolarHBondContact O-N 3.3Å; S3-Y5 VanDerWaalsContact C-N 3.28Å; S3-Y5 PolarHBondContact O-N 3.46Å; Y5-K9 WeakPolarHBondContact O-CB 3.42Å
6	F	59.4	Low	68.8	Low	150 Å²	150	131.9 Å²	131.9	66%	0.658	62%	0.622	S	S	*	*	H	α-helix	trans	-71.6	-46.4	174.5	-108	-95	0	0	0	111.7	C2 S3 K9 W10	C2-F6 PolarHBondContact O-N 3.07Å; S3-F6 PolarHBondContact O-N 3.26Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-W10 PolarHBondContact O-N 2.91Å; F6-W10 VanDerWaalsContact O-N 3.09Å
7	I	73.6	Confident	69.3	Low	89 Å²	89	130 Å²	130	46%	0.456	62%	0.616	S	S	.	*	H	α-helix	trans	-60.4	-51.4	-177.7	-66.9	166.5	0	0	0	110.9	S3 K9 W10 I11	S3-I7 WeakPolarHBondContact O-CG1 3.45Å; S3-I7 PolarHBondContact O-N 2.97Å; I7-K9 VanDerWaalsContact C-N 3.28Å; I7-K9 PolarHBondContact O-N 3.29Å; I7-W10 PolarHBondContact O-N 2.87Å; I7-I11 HydrophobicContact CG2-CD1 3.69Å; I7-I11 HydrophobicContact CG2-CG1 4.45Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 3.26Å
8	N	69.8	Low	69.5	Low	78 Å²	78	126.1 Å²	126.1	42%	0.417	60%	0.602	S	S	.	*	H	α-helix	trans	-62.8	-33.4	-179.2	-74	-6.7	0	0	0	113.1	Y4 L12	Y4-N8 PolarHBondContact O-N 2.93Å; N8-L12 WeakPolarHBondContact O-CG 3.43Å; N8-L12 PolarHBondContact O-N 3.08Å; N8-L12 VanDerWaalsContact O-N 3.1Å
9	K	74.4	Confident	69.7	Low	160 Å²	160	124.5 Å²	124.5	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-73.7	-35	179.3	-153	174.9	-173	-176.5	0	112.2	Y5 F6 I7 L13	Y5-K9 WeakPolarHBondContact O-CB 3.42Å; F6-K9 PolarHBondContact O-N 3.41Å; I7-K9 VanDerWaalsContact C-N 3.28Å; I7-K9 PolarHBondContact O-N 3.29Å; K9-L13 PolarHBondContact O-N 3.34Å; K9-L13 VanDerWaalsContact O-N 3.1Å
10	W	75.3	Confident	69.5	Low	164 Å²	164	120.6 Å²	120.6	62%	0.621	58%	0.581	S	S	*	*	H	α-helix	trans	-69.6	-40.6	171.4	-90.6	90.3	0	0	0	112.8	F6 I7 L12 L13 F14	F6-W10 PolarHBondContact O-N 2.91Å; F6-W10 VanDerWaalsContact O-N 3.09Å; I7-W10 PolarHBondContact O-N 2.87Å; W10-L12 PolarHBondContact O-N 2.98Å; W10-L13 PolarHBondContact O-N 3.37Å; W10-F14 WeakPolarHBondContact O-CB 3.37Å; W10-F14 PolarHBondContact O-N 3.16Å
11	I	80.5	Confident	69.1	Low	86 Å²	86	122.7 Å²	122.7	44%	0.441	58%	0.584	S	S	.	*	H	α-helix	trans	-60.3	-45.6	175.7	-69.6	168.6	0	0	0	110.7	I7 L13 F14 I15	I7-I11 HydrophobicContact CG2-CD1 3.69Å; I7-I11 HydrophobicContact CG2-CG1 4.45Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 3.26Å; I11-L13 PolarHBondContact O-N 3.25Å; I11-F14 PolarHBondContact O-N 3.48Å; I11-I15 HydrophobicContact CG2-CD1 3.73Å; I11-I15 HydrophobicContact CG2-CG1 4.48Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 3.44Å
12	L	78.7	Confident	69.4	Low	120 Å²	120	118.2 Å²	118.2	63%	0.628	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-39.6	175.6	-76.4	167.9	0	0	0	112.7	N8 W10 Y16	N8-L12 WeakPolarHBondContact O-CG 3.43Å; N8-L12 PolarHBondContact O-N 3.08Å; N8-L12 VanDerWaalsContact O-N 3.1Å; W10-L12 PolarHBondContact O-N 2.98Å; L12-Y16 WeakPolarHBondContact O-CB 3.4Å; L12-Y16 PolarHBondContact O-N 3.18Å
13	L	80.2	Confident	69.8	Low	93 Å²	93	119.8 Å²	119.8	49%	0.487	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-41.4	175.3	-159.4	89.1	0	0	0	111.5	K9 W10 I11 Y16 L17	K9-L13 PolarHBondContact O-N 3.34Å; K9-L13 VanDerWaalsContact O-N 3.1Å; W10-L13 PolarHBondContact O-N 3.37Å; I11-L13 PolarHBondContact O-N 3.25Å; L13-Y16 PolarHBondContact O-N 2.96Å; L13-L17 HydrophobicContact CD2-CD1 4.24Å; L13-L17 HydrophobicContact CG-CD1 4.28Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.42Å
14	F	80.3	Confident	69.7	Low	135 Å²	135	120.4 Å²	120.4	59%	0.592	56%	0.558	S	S	*	*	H	α-helix	trans	-67.9	-41.6	179.7	-151.8	-86.1	0	0	0	111.7	W10 I11 L17 T18	W10-F14 WeakPolarHBondContact O-CB 3.37Å; W10-F14 PolarHBondContact O-N 3.16Å; I11-F14 PolarHBondContact O-N 3.48Å; F14-L17 PolarHBondContact O-N 3.08Å; F14-T18 HydrophobicContact CD1-CG2 4.06Å; F14-T18 HydrophobicContact CE1-CG2 4.04Å; F14-T18 WeakPolarHBondContact O-CG2 3.46Å; F14-T18 PolarHBondContact O-N 3.48Å; F14-T18 PolarHBondContact O-OG1 3.31Å
15	I	83	Confident	69.3	Low	84 Å²	84	116.4 Å²	116.4	43%	0.431	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-40.5	173.4	-68.9	167.7	0	0	0	111	I11 T18 L19	I11-I15 HydrophobicContact CG2-CD1 3.73Å; I11-I15 HydrophobicContact CG2-CG1 4.48Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 3.44Å; I15-T18 PolarHBondContact O-N 3.01Å; I15-T18 PolarHBondContact O-OG1 2.96Å; I15-L19 HydrophobicContact CG2-CD1 3.78Å; I15-L19 HydrophobicContact CG2-CG 4.36Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.01Å
16	Y	80.4	Confident	68.5	Low	166 Å²	166	111.2 Å²	111.2	65%	0.651	54%	0.544	S	S	*	.	H	α-helix	trans	-66	-39	176.2	-167.8	-95.7	0	0	0	112	L12 L13 T20	L12-Y16 WeakPolarHBondContact O-CB 3.4Å; L12-Y16 PolarHBondContact O-N 3.18Å; L13-Y16 PolarHBondContact O-N 2.96Å; Y16-T20 HydrophobicContact CD1-CG2 4.22Å; Y16-T20 HydrophobicContact CE1-CG2 3.9Å; Y16-T20 WeakPolarHBondContact O-CB 3.43Å; Y16-T20 WeakPolarHBondContact O-CG2 3.4Å; Y16-T20 PolarHBondContact O-N 2.96Å; Y16-T20 PolarHBondContact O-OG1 3.25Å
17	L	78	Confident	67.6	Low	99 Å²	99	112.1 Å²	112.1	52%	0.518	55%	0.55	S	S	.	.	H	α-helix	trans	-67.5	-41.8	175	-76.7	165.4	0	0	0	112.4	L13 F14 T20 Y21	L13-L17 HydrophobicContact CD2-CD1 4.24Å; L13-L17 HydrophobicContact CG-CD1 4.28Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.42Å; F14-L17 PolarHBondContact O-N 3.08Å; L17-T20 WeakPolarHBondContact CA-OG1 3.46Å; L17-T20 PolarHBondContact O-OG1 3.42Å; L17-Y21 WeakPolarHBondContact O-CB 3.22Å; L17-Y21 PolarHBondContact O-N 3.31Å
18	T	72.8	Confident	65.8	Low	60 Å²	60	118.1 Å²	118.1	37%	0.368	57%	0.568	S	S	.	*	H	α-helix	trans	-69.4	-40.9	177	54.5	0	0	0	0	112.2	F14 I15 Y21 Q22	F14-T18 HydrophobicContact CD1-CG2 4.06Å; F14-T18 HydrophobicContact CE1-CG2 4.04Å; F14-T18 WeakPolarHBondContact O-CG2 3.46Å; F14-T18 PolarHBondContact O-N 3.48Å; F14-T18 PolarHBondContact O-OG1 3.31Å; I15-T18 PolarHBondContact O-N 3.01Å; I15-T18 PolarHBondContact O-OG1 2.96Å; T18-Y21 PolarHBondContact O-N 2.97Å; T18-Q22 WeakPolarHBondContact O-CG 3.4Å; T18-Q22 PolarHBondContact O-N 3.44Å
19	L	72.5	Confident	64	Low	95 Å²	95	123.3 Å²	123.3	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-62.5	-45.6	175.6	-73.4	170.7	0	0	0	112.2	I15 Q22 Q23	I15-L19 HydrophobicContact CG2-CD1 3.78Å; I15-L19 HydrophobicContact CG2-CG 4.36Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.01Å; L19-Q22 PolarHBondContact O-N 3.47Å; L19-Q23 PolarHBondContact O-N 3.37Å
20	T	65.7	Low	62.2	Low	46 Å²	46	120.2 Å²	120.2	28%	0.282	59%	0.586	S	S	.	*	H	α-helix	trans	-67.4	-37.8	177	49.7	0	0	0	0	112	Y16 L17 Q22 Q23 T24	Y16-T20 HydrophobicContact CD1-CG2 4.22Å; Y16-T20 HydrophobicContact CE1-CG2 3.9Å; Y16-T20 WeakPolarHBondContact O-CB 3.43Å; Y16-T20 WeakPolarHBondContact O-CG2 3.4Å; Y16-T20 PolarHBondContact O-N 2.96Å; Y16-T20 PolarHBondContact O-OG1 3.25Å; L17-T20 WeakPolarHBondContact CA-OG1 3.46Å; L17-T20 PolarHBondContact O-OG1 3.42Å; T20-Q22 PolarHBondContact O-N 3.29Å; T20-Q23 PolarHBondContact O-N 2.94Å; T20-T24 PolarHBondContact O-N 3.04Å; T20-T24 PolarHBondContact O-OG1 2.98Å
21	Y	62.2	Low	60	Low	166 Å²	166	119.2 Å²	119.2	65%	0.651	59%	0.592	S	S	*	*	H	α-helix	trans	-64.8	-35.6	174.3	-165.3	-97	0	0	0	112.8	L17 T18 T24 T25	L17-Y21 WeakPolarHBondContact O-CB 3.22Å; L17-Y21 PolarHBondContact O-N 3.31Å; T18-Y21 PolarHBondContact O-N 2.97Å; Y21-T24 PolarHBondContact O-OG1 3.4Å; Y21-T25 HydrophobicContact CD1-CG2 4.29Å; Y21-T25 HydrophobicContact CE1-CG2 4.08Å; Y21-T25 WeakPolarHBondContact O-CB 3.43Å; Y21-T25 WeakPolarHBondContact O-CG2 3.2Å; Y21-T25 PolarHBondContact O-N 2.89Å; Y21-T25 VanDerWaalsContact O-N 3.14Å; Y21-T25 PolarHBondContact O-OG1 2.88Å
22	Q	55.8	Low	57.8	Low	127 Å²	127	123.3 Å²	123.3	59%	0.593	61%	0.609	S	S	*	*	H	α-helix	trans	-72.8	-29.8	173	-72.6	-175.6	-87	0	0	113	T18 L19 T20 T25 S26	T18-Q22 WeakPolarHBondContact O-CG 3.4Å; T18-Q22 PolarHBondContact O-N 3.44Å; L19-Q22 PolarHBondContact O-N 3.47Å; T20-Q22 PolarHBondContact O-N 3.29Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.36Å; Q22-S26 WeakPolarHBondContact O-CB 3.41Å; Q22-S26 PolarHBondContact O-N 3.2Å; Q22-S26 PolarHBondContact O-OG 2.88Å
23	Q	52.6	Low	55.6	Low	141 Å²	141	123.6 Å²	123.6	66%	0.659	62%	0.617	S	S	*	*	H	α-helix	trans	-74.1	-35.1	172.7	-75.3	-177	-44.6	0	0	112.9	L19 T20 S26	L19-Q23 PolarHBondContact O-N 3.37Å; T20-Q23 PolarHBondContact O-N 2.94Å; Q23-S26 PolarHBondContact O-OG 3.39Å
24	T	49.2	Very low	53.9	Low	101 Å²	101	125.7 Å²	125.7	62%	0.62	63%	0.627	S	S	*	*	H	α-helix	trans	-76.1	-27.5	176.2	53.1	0	0	0	0	113.6	T20 Y21	T20-T24 PolarHBondContact O-N 3.04Å; T20-T24 PolarHBondContact O-OG1 2.98Å; Y21-T24 PolarHBondContact O-OG1 3.4Å
25	T	49.1	Very low	51.9	Low	90 Å²	90	124.6 Å²	124.6	55%	0.552	63%	0.633	S	S	*	*	H	α-helix	trans	-86.6	-13.3	-179.8	50	0	0	0	0	114.9	Y21 Q22	Y21-T25 HydrophobicContact CD1-CG2 4.29Å; Y21-T25 HydrophobicContact CE1-CG2 4.08Å; Y21-T25 WeakPolarHBondContact O-CB 3.43Å; Y21-T25 WeakPolarHBondContact O-CG2 3.2Å; Y21-T25 PolarHBondContact O-N 2.89Å; Y21-T25 VanDerWaalsContact O-N 3.14Å; Y21-T25 PolarHBondContact O-OG1 2.88Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.36Å
26	S	44.4	Very low	49.8	Very low	86 Å²	86	127.8 Å²	127.8	60%	0.601	66%	0.656	S	S	*	*	S	Bend	trans	-93.3	-12.4	-177.2	47.1	0	0	0	0	115	Q22 Q23	Q22-S26 WeakPolarHBondContact O-CB 3.41Å; Q22-S26 PolarHBondContact O-N 3.2Å; Q22-S26 PolarHBondContact O-OG 2.88Å; Q23-S26 PolarHBondContact O-OG 3.39Å
27	H	41.7	Very low	48	Very low	169 Å²	169	127.3 Å²	127.3	78%	0.782	67%	0.665	S	S	*	*	S	Bend	trans	-109.4	0.3	-166.4	-126.9	-67.8	0	0	0	116.9
28	Y	34.7	Very low	46.3	Very low	215 Å²	215	129.1 Å²	129.1	84%	0.843	68%	0.675	S	S	*	*			trans	-111.3	63.4	-177.9	-141.8	-89.1	0	0	0	113.3
29	K	31.6	Very low	44.8	Very low	187 Å²	187	133 Å²	133	81%	0.813	69%	0.694	S	S	*	*			trans	-141.9	44.1	174.2	-141.9	173.3	-170.7	177.8	0	113.6	N31	K29-N31 PolarHBondContact O-N 3.02Å; K29-N31 VanDerWaalsContact O-N 3.14Å
30	S	36.7	Very low	43.9	Very low	95 Å²	95	140 Å²	140	66%	0.664	71%	0.714	S	S	*	*			trans	-69.3	101.8	169.5	53.9	0	0	0	0	110.3	Q32	S30-Q32 PolarHBondContact O-N 3.4Å
31	N	29.4	Very low	43.7	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	74%	0.741	S	S	*	*			trans	-64.7	91.6	173	-75.6	-14.3	0	0	0	110.6	K29 T33	K29-N31 PolarHBondContact O-N 3.02Å; K29-N31 VanDerWaalsContact O-N 3.14Å; N31-T33 PolarHBondContact O-N 2.93Å
32	Q	33.9	Very low	44.3	Very low	172 Å²	172	144 Å²	144	80%	0.804	75%	0.749	S	S	*	*			trans	-80	88.2	161.8	-78	-171	-21.8	0	0	109.1	S30 I34	S30-Q32 PolarHBondContact O-N 3.4Å; Q32-I34 VanDerWaalsContact C-N 3.3Å; Q32-I34 PolarHBondContact O-N 3.28Å
33	T	34	Very low	45.5	Very low	127 Å²	127	140.7 Å²	140.7	78%	0.779	73%	0.734	S	S	*	*			trans	-67.9	91.4	162.8	48.6	0	0	0	0	108.6	N31	N31-T33 PolarHBondContact O-N 2.93Å
34	I	43	Very low	47.4	Very low	137 Å²	137	137.8 Å²	137.8	70%	0.703	73%	0.728	S	S	*	*			trans	-59.9	127.7	173.5	-58.2	175.4	0	0	0	107.8	Q32 V36	Q32-I34 VanDerWaalsContact C-N 3.3Å; Q32-I34 PolarHBondContact O-N 3.28Å; I34-V36 PolarHBondContact O-N 2.9Å
35	P	39.3	Very low	49.4	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	72%	0.718	S	S	*	*			trans	-66.3	118	176.2	27.1	-33	0	0	0	109.2	N37	P35-N37 PolarHBondContact O-N 2.94Å
36	V	39.7	Very low	51.4	Low	151 Å²	151	138.7 Å²	138.7	92%	0.915	72%	0.718	S	S	*	*			trans	-69.7	104.2	170.8	179	0	0	0	0	107.6	I34	I34-V36 PolarHBondContact O-N 2.9Å
37	N	41.1	Very low	53.7	Low	155 Å²	155	138.6 Å²	138.6	83%	0.829	71%	0.708	S	S	*	*			trans	-126.4	140.3	167.1	-156.4	9.9	0	0	0	108.1	P35	P35-N37 PolarHBondContact O-N 2.94Å
38	D	42.5	Very low	56.1	Low	138 Å²	138	133.5 Å²	133.5	74%	0.738	69%	0.685	S	S	*	*			trans	-76.4	173.5	-166.1	-156.1	-7.1	0	0	0	112.5
39	N	42.2	Very low	58.9	Low	142 Å²	142	123.3 Å²	123.3	76%	0.759	65%	0.645	S	S	*	*	S	Bend	trans	91.2	86.5	-179.4	-52.6	-80.1	0	0	0	115.8
40	R	52.4	Low	61.9	Low	241 Å²	241	118 Å²	118	91%	0.909	62%	0.62	S	S	*	*			trans	55.5	85.4	157.9	-55.1	-176	-171.1	-173.7	3.2	115.8	L42	R40-L42 PolarHBondContact O-N 2.85Å
41	V	62.8	Low	64.6	Low	141 Å²	141	120.3 Å²	120.3	86%	0.855	61%	0.614	S	S	*	*			trans	-57.3	111.7	164.8	-179.9	0	0	0	0	110	I43	V41-I43 PolarHBondContact O-N 3.26Å; V41-I43 VanDerWaalsContact O-N 3.12Å
42	L	73.7	Confident	67.6	Low	156 Å²	156	119.9 Å²	119.9	82%	0.817	60%	0.603	S	S	*	*			trans	-74.2	101.2	179.3	-172.4	70.4	0	0	0	110	R40	R40-L42 PolarHBondContact O-N 2.85Å
43	I	82.5	Confident	70.5	Confident	57 Å²	57	112.2 Å²	112.2	29%	0.292	57%	0.567	S	S	.	*			trans	-63.8	127.5	178	-58.6	174.1	0	0	0	109.1	V41 Q47 Q48	V41-I43 PolarHBondContact O-N 3.26Å; V41-I43 VanDerWaalsContact O-N 3.12Å; I43-Q47 HydrophobicContact CG2-CB 3.86Å; I43-Q47 HydrophobicContact CG2-CG 3.99Å; I43-Q48 HydrophobicContact CB-CG 4.08Å; I43-Q48 HydrophobicContact CG2-CG 3.74Å; I43-Q48 PolarHBondContact O-NE2 3.1Å
44	P	90.7	Very high	73.4	Confident	80 Å²	80	108 Å²	108	52%	0.519	54%	0.539	S	S	.	.			trans	-57.5	141.1	176.6	-25.3	34.5	0	0	0	112.3	E46 Q47 Q48	P44-E46 VanDerWaalsContact C-N 3.27Å; P44-E46 PolarHBondContact O-N 3.44Å; P44-Q47 WeakPolarHBondContact O-CA 3.32Å; P44-Q47 WeakPolarHBondContact O-CB 3.4Å; P44-Q47 PolarHBondContact O-N 3.48Å; P44-Q48 PolarHBondContact O-N 3.34Å
45	H	91.2	Very high	75.6	Confident	92 Å²	92	106.8 Å²	106.8	43%	0.426	53%	0.534	S	S	.	.	H	α-helix	trans	-54.3	-39.9	-176.3	-61.3	114.2	0	0	0	113.2	Q47 Q48 V49 F114 V117	H45-Q47 VanDerWaalsContact C-N 3.29Å; H45-Q47 PolarHBondContact O-N 3.03Å; H45-Q48 WeakPolarHBondContact O-CA 3.46Å; H45-Q48 WeakPolarHBondContact O-CB 3.35Å; H45-Q48 PolarHBondContact O-N 3.07Å; H45-V49 WeakPolarHBondContact O-CG2 3.42Å; H45-V49 PolarHBondContact O-N 3.49Å; H45-F114 WeakPolarHBondContact CB-O 3.24Å; H45-V117 HydrophobicContact CB-CG2 3.87Å
46	E	92	Very high	78	Confident	117 Å²	117	108.6 Å²	108.6	55%	0.547	54%	0.538	S	S	.	.	H	α-helix	trans	-58.3	-38.6	174.5	-63	-179.3	167.1	0	0	112.8	P44 V49 Y50 V117 L120	P44-E46 VanDerWaalsContact C-N 3.27Å; P44-E46 PolarHBondContact O-N 3.44Å; E46-V49 PolarHBondContact O-N 2.97Å; E46-Y50 WeakPolarHBondContact O-CB 3.42Å; E46-Y50 PolarHBondContact O-N 3.39Å; E46-V117 HydrophobicContact CG-CG1 4.19Å; E46-V117 HydrophobicContact CG-CG2 3.88Å; E46-L120 HydrophobicContact CB-CD1 3.96Å
47	Q	92.3	Very high	80.7	Confident	84 Å²	84	103.1 Å²	103.1	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-74.6	-27.4	176	-170.7	177.6	34.2	0	0	112	I43 P44 H45 R51	I43-Q47 HydrophobicContact CG2-CB 3.86Å; I43-Q47 HydrophobicContact CG2-CG 3.99Å; P44-Q47 WeakPolarHBondContact O-CA 3.32Å; P44-Q47 WeakPolarHBondContact O-CB 3.4Å; P44-Q47 PolarHBondContact O-N 3.48Å; H45-Q47 VanDerWaalsContact C-N 3.29Å; H45-Q47 PolarHBondContact O-N 3.03Å; Q47-R51 WeakPolarHBondContact O-CB 3.31Å; Q47-R51 VanDerWaalsContact O-CG 3.29Å; Q47-R51 WeakPolarHBondContact O-CG 3.42Å; Q47-R51 PolarHBondContact O-N 3.46Å; Q47-R51 VanDerWaalsContact O-N 3.09Å
48	Q	92	Very high	83.2	Confident	63 Å²	63	100.8 Å²	100.8	29%	0.294	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-48.4	170.2	-58.1	-179.2	32	0	0	110.7	I43 P44 H45 Y50 R51 Y52 F114	I43-Q48 HydrophobicContact CB-CG 4.08Å; I43-Q48 HydrophobicContact CG2-CG 3.74Å; I43-Q48 PolarHBondContact O-NE2 3.1Å; P44-Q48 PolarHBondContact O-N 3.34Å; H45-Q48 WeakPolarHBondContact O-CA 3.46Å; H45-Q48 WeakPolarHBondContact O-CB 3.35Å; H45-Q48 PolarHBondContact O-N 3.07Å; Q48-Y50 PolarHBondContact O-N 2.95Å; Q48-R51 PolarHBondContact O-N 2.96Å; Q48-Y52 WeakPolarHBondContact O-CB 3.35Å; Q48-Y52 PolarHBondContact O-N 3.31Å; Q48-F114 HydrophobicContact CB-CD1 3.86Å; Q48-F114 HydrophobicContact CB-CE1 4.07Å
49	V	93.6	Very high	85.5	Confident	0 Å²	0	96.3 Å²	96.3	0%	0	47%	0.465	C	S	.	.	H	α-helix	trans	-55.6	-51.3	173.8	177.9	0	0	0	0	110.5	H45 E46 R51 Y52 I53 W109 F114 V117 L120	H45-V49 WeakPolarHBondContact O-CG2 3.42Å; H45-V49 PolarHBondContact O-N 3.49Å; E46-V49 PolarHBondContact O-N 2.97Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.38Å; V49-Y52 WeakPolarHBondContact O-CB 3.34Å; V49-Y52 PolarHBondContact O-N 2.89Å; V49-I53 HydrophobicContact CG1-CD1 4.19Å; V49-I53 HydrophobicContact CG1-CG2 4.21Å; V49-I53 WeakPolarHBondContact O-CG1 3.42Å; V49-I53 PolarHBondContact O-N 3.1Å; V49-W109 HydrophobicContact CG1-CD2 3.55Å; V49-W109 HydrophobicContact CG1-CE3 3.92Å; V49-W109 HydrophobicContact CG1-CG 3.89Å; V49-W109 HydrophobicContact CG1-CH2 4.38Å; V49-W109 HydrophobicContact CG1-CZ2 4.09Å; V49-W109 HydrophobicContact CG1-CZ3 4.31Å; V49-F114 HydrophobicContact CG2-CB 3.33Å; V49-F114 HydrophobicContact CG2-CD1 3.79Å; V49-F114 HydrophobicContact CG2-CD2 4Å; V49-F114 HydrophobicContact CG2-CG 3.45Å; V49-F114 VanDerWaalsContact CG2-CG 3.45Å; V49-V117 HydrophobicContact CG2-CB 4.21Å; V49-V117 HydrophobicContact CG2-CG1 4.16Å; V49-L120 HydrophobicContact CB-CD2 4.44Å; V49-L120 HydrophobicContact CG1-CD2 3.99Å
50	Y	94.3	Very high	87.7	Confident	76 Å²	76	94 Å²	94	30%	0.298	46%	0.459	S	S	.	.	H	α-helix	trans	-54.5	-48.2	178.9	-179.5	-82.9	0	0	0	111.8	E46 Q48 Y52 M54 L120 I122 Q126	E46-Y50 WeakPolarHBondContact O-CB 3.42Å; E46-Y50 PolarHBondContact O-N 3.39Å; Q48-Y50 PolarHBondContact O-N 2.95Å; Y50-Y52 VanDerWaalsContact C-N 3.28Å; Y50-Y52 PolarHBondContact O-N 3.49Å; Y50-M54 HydrophobicContact CD1-CG 4.32Å; Y50-M54 HydrophobicContact CD2-CG 4.14Å; Y50-M54 HydrophobicContact CE1-CG 4.16Å; Y50-M54 HydrophobicContact CE2-CG 4Å; Y50-M54 HydrophobicContact CG-CG 4.3Å; Y50-M54 VanDerWaalsContact O-CB 3.28Å; Y50-M54 WeakPolarHBondContact O-CB 3.35Å; Y50-M54 WeakPolarHBondContact O-CG 3.23Å; Y50-M54 PolarHBondContact O-N 3.32Å; Y50-M54 VanDerWaalsContact O-N 3.14Å; Y50-L120 HydrophobicContact CD2-CD2 4.33Å; Y50-I122 HydrophobicContact CE2-CG2 4.26Å; Y50-Q126 PolarHBondContact OH-NE2 3.06Å; Y50-Q126 PolarHBondContact OH-OE1 3.14Å
51	R	93.7	Very high	89.5	Confident	143 Å²	143	86.7 Å²	86.7	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-67.7	-27.7	178.8	-72.7	178.8	-171.5	-168.1	7.5	113.1	Q47 Q48 V49	Q47-R51 WeakPolarHBondContact O-CB 3.31Å; Q47-R51 VanDerWaalsContact O-CG 3.29Å; Q47-R51 WeakPolarHBondContact O-CG 3.42Å; Q47-R51 PolarHBondContact O-N 3.46Å; Q47-R51 VanDerWaalsContact O-N 3.09Å; Q48-R51 PolarHBondContact O-N 2.96Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.38Å
52	Y	93.4	Very high	90.9	Very high	134 Å²	134	81.1 Å²	81.1	53%	0.525	41%	0.405	S	S	.	.	H	α-helix	trans	-74.5	-54.9	177.3	176.2	-97.9	0	0	0	111.5	Q48 V49 Y50 N55 F114	Q48-Y52 WeakPolarHBondContact O-CB 3.35Å; Q48-Y52 PolarHBondContact O-N 3.31Å; V49-Y52 WeakPolarHBondContact O-CB 3.34Å; V49-Y52 PolarHBondContact O-N 2.89Å; Y50-Y52 VanDerWaalsContact C-N 3.28Å; Y50-Y52 PolarHBondContact O-N 3.49Å; Y52-N55 WeakPolarHBondContact O-CB 3.41Å; Y52-N55 PolarHBondContact O-N 3.35Å; Y52-F114 HydrophobicContact CD1-CE2 4.23Å; Y52-F114 AromaticContact CD1-CZ 3.98Å; Y52-F114 HydrophobicContact CD1-CZ 3.98Å; Y52-F114 HydrophobicContact CD2-CZ 4.08Å; Y52-F114 HydrophobicContact CG-CE2 4.43Å; Y52-F114 AromaticContact CG-CZ 3.72Å; Y52-F114 HydrophobicContact CG-CZ 3.72Å
53	I	93.9	Very high	91.8	Very high	10 Å²	10	73.8 Å²	73.8	5%	0.051	37%	0.367	C	S	.	.	H	α-helix	trans	-73.9	-29.4	-174	69.8	-175.9	0	0	0	113.6	V49 N55 L107 W109 L120 I122	V49-I53 HydrophobicContact CG1-CD1 4.19Å; V49-I53 HydrophobicContact CG1-CG2 4.21Å; V49-I53 WeakPolarHBondContact O-CG1 3.42Å; V49-I53 PolarHBondContact O-N 3.1Å; I53-N55 VanDerWaalsContact C-N 3.27Å; I53-N55 PolarHBondContact O-N 2.98Å; I53-L107 HydrophobicContact CB-CD2 3.88Å; I53-L107 HydrophobicContact CD1-CD2 4.06Å; I53-L107 HydrophobicContact CG1-CD2 3.9Å; I53-W109 HydrophobicContact CD1-CE3 4.32Å; I53-W109 HydrophobicContact CD1-CZ3 4.16Å; I53-W109 HydrophobicContact CG2-CB 4.27Å; I53-W109 HydrophobicContact CG2-CE3 4Å; I53-L120 HydrophobicContact CD1-CD2 3.86Å; I53-I122 HydrophobicContact CD1-CD1 3.76Å
54	M	94.3	Very high	92.2	Very high	38 Å²	38	72.4 Å²	72.4	19%	0.187	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.4	179.5	-52.9	-60.2	-76.7	0	0	112.7	Y50 N56 L107 I122 Q126	Y50-M54 HydrophobicContact CD1-CG 4.32Å; Y50-M54 HydrophobicContact CD2-CG 4.14Å; Y50-M54 HydrophobicContact CE1-CG 4.16Å; Y50-M54 HydrophobicContact CE2-CG 4Å; Y50-M54 HydrophobicContact CG-CG 4.3Å; Y50-M54 VanDerWaalsContact O-CB 3.28Å; Y50-M54 WeakPolarHBondContact O-CB 3.35Å; Y50-M54 WeakPolarHBondContact O-CG 3.23Å; Y50-M54 PolarHBondContact O-N 3.32Å; Y50-M54 VanDerWaalsContact O-N 3.14Å; M54-N56 PolarHBondContact O-N 2.81Å; M54-L107 HydrophobicContact SD-CD2 4.03Å; M54-I122 HydrophobicContact CE-CG2 3.97Å; M54-I122 HydrophobicContact SD-CD1 4.01Å; M54-I122 HydrophobicContact SD-CG2 4.29Å; M54-Q126 HydrophobicContact CE-CB 3.69Å; M54-Q126 VanDerWaalsContact CE-O 3.3Å; M54-Q126 WeakPolarHBondContact CE-O 3.45Å
55	N	91	Very high	92.2	Very high	112 Å²	112	74.5 Å²	74.5	60%	0.599	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	106.3	179.6	-174.7	37.3	0	0	0	110.8	Y52 I53 Y57	Y52-N55 WeakPolarHBondContact O-CB 3.41Å; Y52-N55 PolarHBondContact O-N 3.35Å; I53-N55 VanDerWaalsContact C-N 3.27Å; I53-N55 PolarHBondContact O-N 2.98Å; N55-Y57 VanDerWaalsContact C-N 3.29Å
56	N	89.4	Confident	92.1	Very high	150 Å²	150	73.4 Å²	73.4	80%	0.802	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	24.1	-172	-43	-64.3	0	0	0	114.8	M54	M54-N56 PolarHBondContact O-N 2.81Å
57	Y	94.9	Very high	91.8	Very high	36 Å²	36	74.7 Å²	74.7	14%	0.141	37%	0.367	C	S	.	.			trans	-77.1	132.9	167.7	-176.6	-86.8	0	0	0	110.3	N55 D104 L107 V127 W128	N55-Y57 VanDerWaalsContact C-N 3.29Å; Y57-D104 WeakPolarHBondContact CE2-OD2 3.39Å; Y57-D104 PolarHBondContact OH-OD2 3.46Å; Y57-L107 HydrophobicContact CD2-CD1 4.41Å; Y57-L107 HydrophobicContact CD2-CD2 3.54Å; Y57-L107 HydrophobicContact CD2-CG 3.83Å; Y57-L107 HydrophobicContact CE2-CD1 3.76Å; Y57-L107 HydrophobicContact CE2-CD2 3.73Å; Y57-L107 HydrophobicContact CE2-CG 3.47Å; Y57-L107 VanDerWaalsContact CE2-CG 3.47Å; Y57-L107 HydrophobicContact CG-CD2 4.08Å; Y57-V127 HydrophobicContact CE1-CB 4.48Å; Y57-W128 PolarHBondContact OH-N 3.31Å
58	E	93.5	Very high	91.5	Very high	107 Å²	107	76.1 Å²	76.1	50%	0.5	39%	0.386	S	S	.	.			trans	-115.7	108.8	-179.7	175.2	51.3	-108.7	0	0	109.9	S60 V61	E58-S60 PolarHBondContact O-N 2.88Å; E58-S60 WeakPolarHBondContact OE1-CB 3.38Å; E58-S60 PolarHBondContact OE1-N 3.34Å; E58-S60 PolarHBondContact OE1-OG 3.44Å; E58-V61 HydrophobicContact CG-CG2 3.98Å
59	S	92.1	Very high	91.3	Very high	43 Å²	43	77.8 Å²	77.8	30%	0.301	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-11	-176.1	52.3	0	0	0	0	114.3	V61 V127 W128	S59-V61 VanDerWaalsContact C-N 3.31Å; S59-V61 PolarHBondContact O-N 2.93Å; S59-V127 VanDerWaalsContact CB-C 3.48Å; S59-W128 WeakPolarHBondContact O-CA 3.49Å; S59-W128 WeakPolarHBondContact O-CB 3.22Å
60	S	89	Confident	91.1	Very high	93 Å²	93	82.7 Å²	82.7	65%	0.65	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6	-179.8	-47.8	0	0	0	0	114.4	E58	E58-S60 PolarHBondContact O-N 2.88Å; E58-S60 WeakPolarHBondContact OE1-CB 3.38Å; E58-S60 PolarHBondContact OE1-N 3.34Å; E58-S60 PolarHBondContact OE1-OG 3.44Å
61	V	89.8	Confident	91	Very high	88 Å²	88	79.3 Å²	79.3	53%	0.533	40%	0.403	S	S	.	.	S	Bend	trans	-122.3	140.9	-169	-178.8	0	0	0	0	111.5	E58 S59 W128	E58-V61 HydrophobicContact CG-CG2 3.98Å; S59-V61 VanDerWaalsContact C-N 3.31Å; S59-V61 PolarHBondContact O-N 2.93Å; V61-W128 VanDerWaalsContact C-CD1 3.44Å
62	R	90.7	Very high	91	Very high	25 Å²	25	74.7 Å²	74.7	9%	0.094	39%	0.39	C	S	.	.			trans	-55.6	132.2	175.5	-77.3	-166.2	-60.6	138.5	7.3	110	L64 I67 E69 W128 Y194 W198	R62-L64 PolarHBondContact O-N 3.5Å; R62-I67 PolarHBondContact NH2-O 3.18Å; R62-E69 PolarHBondContact NH1-O 3.25Å; R62-W128 HydrophobicContact CG-CZ2 4.21Å; R62-Y194 HydrophobicContact CG-CE1 4.29Å; R62-W198 VanDerWaalsContact NE-CE3 3.29Å; R62-W198 PolarHBondContact NH1-O 3.22Å
63	P	93.4	Very high	91	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.013	37%	0.365	C	S	.	.	S	Bend	trans	-84.3	56.8	-169.7	35.2	-39.2	0	0	0	113.6	D104 E105 Y106 W128	P63-D104 HydrophobicContact CB-CB 3.95Å; P63-D104 WeakPolarHBondContact CB-OD2 3.49Å; P63-D104 HydrophobicContact CG-CB 4.18Å; P63-E105 WeakPolarHBondContact O-CB 3.28Å; P63-E105 WeakPolarHBondContact O-CG 3.35Å; P63-E105 PolarHBondContact O-N 3.1Å; P63-E105 VanDerWaalsContact O-N 3.08Å; P63-Y106 HydrophobicContact CB-CD2 4.26Å; P63-W128 HydrophobicContact CG-CD2 4.34Å; P63-W128 HydrophobicContact CG-CE3 3.96Å
64	L	92	Very high	91	Very high	27 Å²	27	72 Å²	72	14%	0.141	38%	0.381	C	S	.	.			trans	-124.1	137.9	177.9	-63	175.9	0	0	0	110.6	R62 E69 L71 E105 Y106	R62-L64 PolarHBondContact O-N 3.5Å; L64-E69 HydrophobicContact CD1-CB 4.22Å; L64-E69 VanDerWaalsContact CD1-O 3.24Å; L64-E69 WeakPolarHBondContact CD1-O 3.21Å; L64-L71 HydrophobicContact CD1-CB 4.16Å; L64-L71 HydrophobicContact CD2-CD1 3.94Å; L64-L71 HydrophobicContact CG-CD1 4.27Å; L64-E105 HydrophobicContact CD2-CG 4.43Å; L64-Y106 PolarHBondContact O-OH 3.43Å
65	K	89.4	Confident	90.8	Very high	125 Å²	125	70.3 Å²	70.3	54%	0.543	37%	0.373	S	S	.	.	S	Bend	trans	-76.8	-25.4	174.8	-67.7	162.7	-172.1	144.8	0	112.9	E105 Y106	K65-E105 WeakPolarHBondContact CB-OE2 3.18Å; K65-E105 HydrophobicContact CD-CB 4.29Å; K65-E105 WeakPolarHBondContact CD-OE2 3.33Å; K65-E105 VanDerWaalsContact CE-O 3.31Å; K65-E105 WeakPolarHBondContact CE-O 3.43Å; K65-E105 HydrophobicContact CG-CB 4.22Å; K65-E105 WeakPolarHBondContact CG-OE2 3.19Å; K65-E105 PolarHBondContact N-OE2 3.38Å; K65-E105 PolarHBondContact NZ-O 3.25Å; K65-E105 IonicContact NZ-OE1 3.77Å; K65-Y106 HydrophobicContact CG-CE1 4.31Å
66	N	90.3	Very high	90.7	Very high	68 Å²	68	65.7 Å²	65.7	36%	0.364	35%	0.349	S	S	.	.			trans	-103.8	119.7	176.7	-172.4	0.3	0	0	0	110.6	S68 E69	N66-S68 VanDerWaalsContact C-N 3.26Å; N66-S68 PolarHBondContact O-N 3.05Å; N66-S68 PolarHBondContact OD1-N 3.14Å; N66-E69 HydrophobicContact CB-CB 4.4Å; N66-E69 HydrophobicContact CB-CG 4.08Å; N66-E69 VanDerWaalsContact CB-OE1 3.3Å; N66-E69 WeakPolarHBondContact CB-OE1 3.49Å; N66-E69 PolarHBondContact ND2-OE1 3.04Å; N66-E69 PolarHBondContact O-N 3.17Å
67	I	84.4	Confident	90.7	Very high	144 Å²	144	58.8 Å²	58.8	74%	0.738	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-33.1	-177.9	-59.7	172.6	0	0	0	111.4	R62 E69	R62-I67 PolarHBondContact NH2-O 3.18Å; I67-E69 VanDerWaalsContact C-N 3.26Å; I67-E69 PolarHBondContact O-N 2.8Å
68	S	85.9	Confident	90.4	Very high	114 Å²	114	60.3 Å²	60.3	80%	0.797	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.5	-177.5	-60.1	0	0	0	0	114.5	N66	N66-S68 VanDerWaalsContact C-N 3.26Å; N66-S68 PolarHBondContact O-N 3.05Å; N66-S68 PolarHBondContact OD1-N 3.14Å
69	E	88.9	Confident	90.3	Very high	99 Å²	99	55.2 Å²	55.2	46%	0.463	29%	0.294	S	S	.	.	S	Bend	trans	-93.2	146.9	178.7	-75.3	172.8	-137.6	0	0	112	R62 L64 N66 I67	R62-E69 PolarHBondContact NH1-O 3.25Å; L64-E69 HydrophobicContact CD1-CB 4.22Å; L64-E69 VanDerWaalsContact CD1-O 3.24Å; L64-E69 WeakPolarHBondContact CD1-O 3.21Å; N66-E69 HydrophobicContact CB-CB 4.4Å; N66-E69 HydrophobicContact CB-CG 4.08Å; N66-E69 VanDerWaalsContact CB-OE1 3.3Å; N66-E69 WeakPolarHBondContact CB-OE1 3.49Å; N66-E69 PolarHBondContact ND2-OE1 3.04Å; N66-E69 PolarHBondContact O-N 3.17Å; I67-E69 VanDerWaalsContact C-N 3.26Å; I67-E69 PolarHBondContact O-N 2.8Å
70	K	89.4	Confident	90.2	Very high	103 Å²	103	55.9 Å²	55.9	45%	0.448	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-92.9	133.2	176.1	63.1	179.4	177.3	172.7	0	110.5	T72 D197 E200	K70-T72 PolarHBondContact O-N 3.03Å; K70-D197 WeakPolarHBondContact CB-O 3.3Å; K70-E200 HydrophobicContact CD-CB 4.12Å; K70-E200 WeakPolarHBondContact CE-OE2 3.42Å; K70-E200 IonicContact NZ-OE1 2.66Å; K70-E200 PolarHBondContact NZ-OE1 3.21Å; K70-E200 IonicContact NZ-OE2 3.63Å; K70-E200 PolarHBondContact NZ-OE2 3.33Å
71	L	92.6	Very high	90.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.7	176.1	-173.7	72.4	0	0	0	109.2	L64 V73 W128 W198 I199 E200	L64-L71 HydrophobicContact CD1-CB 4.16Å; L64-L71 HydrophobicContact CD2-CD1 3.94Å; L64-L71 HydrophobicContact CG-CD1 4.27Å; L71-V73 HydrophobicContact CD2-CG2 4.2Å; L71-V73 HydrophobicContact CG-CG2 4.42Å; L71-W128 HydrophobicContact CD2-CE3 4.19Å; L71-W128 HydrophobicContact CD2-CH2 3.3Å; L71-W128 HydrophobicContact CD2-CZ2 4.21Å; L71-W128 HydrophobicContact CD2-CZ3 3.28Å; L71-W198 PolarHBondContact N-O 3.47Å; L71-I199 HydrophobicContact CB-CG1 4.42Å; L71-I199 WeakPolarHBondContact O-CA 3.41Å; L71-E200 PolarHBondContact O-N 3.03Å
72	T	93	Very high	90.4	Very high	45 Å²	45	50.7 Å²	50.7	28%	0.276	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.6	172.8	-61	0	0	0	0	110.2	K70 K74 E200 K202	K70-T72 PolarHBondContact O-N 3.03Å; T72-K74 HydrophobicContact CG2-CG 4.13Å; T72-E200 WeakPolarHBondContact CA-O 3.42Å; T72-K202 HydrophobicContact CG2-CD 3.99Å
73	V	93.3	Very high	90.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116	173	-177.5	0	0	0	0	108.7	L71 I75 W102 P130 I199 E200 Y201 K202	L71-V73 HydrophobicContact CD2-CG2 4.2Å; L71-V73 HydrophobicContact CG-CG2 4.42Å; V73-I75 HydrophobicContact CG1-CG1 4.35Å; V73-W102 HydrophobicContact CG2-CB 4.34Å; V73-P130 HydrophobicContact CG1-CB 4.23Å; V73-P130 HydrophobicContact CG1-CG 4.14Å; V73-P130 HydrophobicContact CG2-CB 4.02Å; V73-I199 HydrophobicContact CG2-CG2 3.81Å; V73-E200 PolarHBondContact N-O 3.27Å; V73-Y201 HydrophobicContact CB-CD1 3.83Å; V73-Y201 HydrophobicContact CB-CE1 3.73Å; V73-Y201 HydrophobicContact CG1-CD1 3.91Å; V73-Y201 HydrophobicContact CG1-CE1 3.6Å; V73-Y201 HydrophobicContact CG2-CE1 4.33Å; V73-Y201 WeakPolarHBondContact O-CA 3.17Å; V73-K202 PolarHBondContact O-N 3.29Å
74	K	93.1	Very high	90.4	Very high	87 Å²	87	53.6 Å²	53.6	38%	0.378	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.7	178.7	-57.1	178.4	-170.3	169.1	0	109.1	T72 I101 K202 Q204	T72-K74 HydrophobicContact CG2-CG 4.13Å; K74-I101 HydrophobicContact CB-CB 4.37Å; K74-I101 PolarHBondContact N-O 3.27Å; K74-I101 PolarHBondContact O-N 2.89Å; K74-K202 CarbonylContact C-O 3.6Å; K74-K202 VanDerWaalsContact CA-O 3.28Å; K74-K202 WeakPolarHBondContact CA-O 3.39Å; K74-Q204 HydrophobicContact CB-CB 4.37Å; K74-Q204 VanDerWaalsContact CD-OE1 3.28Å
75	I	90.7	Very high	90.5	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.2	177.8	-59.5	-169.4	0	0	0	109.8	V73 I77 L98 Q100 T132 Y201 K202 F203 Q204 L325	V73-I75 HydrophobicContact CG1-CG1 4.35Å; I75-I77 HydrophobicContact CG2-CD1 4.36Å; I75-I77 HydrophobicContact CG2-CG1 3.74Å; I75-L98 HydrophobicContact CG2-CD2 4.42Å; I75-Q100 HydrophobicContact CD1-CG 4.38Å; I75-Q100 HydrophobicContact CG1-CG 4.3Å; I75-T132 HydrophobicContact CD1-CG2 3.84Å; I75-Y201 HydrophobicContact CD1-CD1 3.65Å; I75-Y201 HydrophobicContact CD1-CE1 3.87Å; I75-Y201 HydrophobicContact CG1-CD1 4.08Å; I75-K202 PolarHBondContact N-O 3.33Å; I75-F203 WeakPolarHBondContact O-CA 3.44Å; I75-Q204 PolarHBondContact O-N 3.47Å; I75-L325 HydrophobicContact CB-CD1 3.91Å; I75-L325 HydrophobicContact CD1-CD1 4.14Å; I75-L325 HydrophobicContact CG1-CD1 4.18Å
76	S	89.8	Confident	90.7	Very high	16 Å²	16	50 Å²	50	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.1	163.1	-177.9	0	0	0	0	108.6	E99	S76-E99 PolarHBondContact N-O 2.74Å; S76-E99 PolarHBondContact O-N 3.48Å
77	I	88.4	Confident	90.7	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.6	179.5	-50.5	-175.2	0	0	0	108.4	I75 L96 L98 F189 F203 L271 L289 L327	I75-I77 HydrophobicContact CG2-CD1 4.36Å; I75-I77 HydrophobicContact CG2-CG1 3.74Å; I77-L96 HydrophobicContact CG2-CD1 4.15Å; I77-L98 HydrophobicContact CB-CD2 4.11Å; I77-L98 HydrophobicContact CD1-CD2 4.25Å; I77-L98 HydrophobicContact CG1-CD2 3.72Å; I77-L98 HydrophobicContact CG2-CD2 3.8Å; I77-F189 HydrophobicContact CD1-CD2 4.17Å; I77-F189 HydrophobicContact CD1-CE2 3.74Å; I77-F189 HydrophobicContact CD1-CZ 4.39Å; I77-F203 HydrophobicContact CD1-CE1 4.02Å; I77-L271 HydrophobicContact CB-CD1 3.87Å; I77-L271 HydrophobicContact CG2-CD1 3.82Å; I77-L271 VanDerWaalsContact O-CD1 3.26Å; I77-L271 WeakPolarHBondContact O-CD1 3.39Å; I77-L289 HydrophobicContact CD1-CD2 4.29Å; I77-L327 HydrophobicContact CG2-CD2 4.07Å
78	R	89.2	Confident	90.9	Very high	68 Å²	68	47.6 Å²	47.6	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.3	173.1	-41.9	-166.4	-79.6	156.6	-2	109.6	L96 F97 D272	R78-L96 CarbonylContact O-C 3.59Å; R78-L96 WeakPolarHBondContact O-CA 3.22Å; R78-F97 HydrophobicContact CB-CB 4.27Å; R78-F97 PolarHBondContact N-O 3.16Å; R78-F97 VanDerWaalsContact NH2-CD1 3.35Å; R78-F97 VanDerWaalsContact NH2-CE1 3.26Å; R78-F97 PolarHBondContact O-N 2.62Å; R78-D272 WeakPolarHBondContact CA-O 3.43Å; R78-D272 HydrophobicContact CB-CB 4.39Å; R78-D272 WeakPolarHBondContact CD-OD2 3.46Å; R78-D272 HydrophobicContact CG-CB 3.99Å; R78-D272 IonicContact NH1-OD2 2.72Å
79	L	90.7	Very high	91.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112	-177.8	173.2	60.8	0	0	0	109.5	I82 T94 L96 L271 D272 Y276 L284 L329	L79-I82 HydrophobicContact CD1-CG1 4.26Å; L79-I82 HydrophobicContact CD2-CD1 4.46Å; L79-I82 HydrophobicContact CD2-CG1 4.41Å; L79-T94 HydrophobicContact CD1-CG2 4.5Å; L79-L96 HydrophobicContact CB-CD2 4.15Å; L79-L96 HydrophobicContact CD1-CD2 3.5Å; L79-L96 VanDerWaalsContact CD1-CD2 3.5Å; L79-L96 HydrophobicContact CG-CD2 4.41Å; L79-L271 HydrophobicContact CB-CD2 4.02Å; L79-L271 HydrophobicContact CD2-CD2 4.48Å; L79-D272 PolarHBondContact N-O 3.34Å; L79-Y276 HydrophobicContact CD2-CD2 4.09Å; L79-Y276 HydrophobicContact CD2-CE2 4.06Å; L79-Y276 HydrophobicContact CG-CD2 3.81Å; L79-Y276 HydrophobicContact CG-CE2 4.08Å; L79-Y276 WeakPolarHBondContact O-CA 3.36Å; L79-L284 HydrophobicContact CD2-CD2 3.7Å; L79-L329 HydrophobicContact CD2-CD2 3.91Å
80	Q	90.1	Very high	91.4	Very high	56 Å²	56	44.4 Å²	44.4	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-47.1	179.5	-64.1	-171.5	-27.6	0	0	111.5	I95 F97 Y276 W277	Q80-I95 HydrophobicContact CB-CB 4.44Å; Q80-I95 HydrophobicContact CB-CG2 4.19Å; Q80-I95 WeakPolarHBondContact CB-O 3.44Å; Q80-I95 PolarHBondContact N-O 2.94Å; Q80-F97 HydrophobicContact CG-CB 4.39Å; Q80-Y276 CarbonylContact O-C 3.51Å; Q80-Y276 WeakPolarHBondContact O-CA 3.16Å; Q80-W277 PolarHBondContact O-N 3.46Å
81	Q	91.4	Very high	91.6	Very high	73 Å²	73	40.4 Å²	40.4	34%	0.341	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	146	-179	-162.4	-177.6	9.1	0	0	111.9	I95 W277	Q81-I95 HydrophobicContact CB-CB 4.39Å; Q81-I95 HydrophobicContact CB-CD1 4.45Å; Q81-I95 PolarHBondContact N-O 3.3Å; Q81-I95 PolarHBondContact O-N 3.38Å; Q81-W277 HydrophobicContact CG-CB 4.37Å
82	I	92.5	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	103.3	159.8	-62.2	170.5	0	0	0	107	L79 G84 L92 T94 Y276 S279 L284 L331	L79-I82 HydrophobicContact CD1-CG1 4.26Å; L79-I82 HydrophobicContact CD2-CD1 4.46Å; L79-I82 HydrophobicContact CD2-CG1 4.41Å; I82-G84 VanDerWaalsContact C-N 3.33Å; I82-L92 HydrophobicContact CG2-CD1 4.04Å; I82-T94 HydrophobicContact CG1-CG2 4.39Å; I82-Y276 HydrophobicContact CD1-CE2 4.44Å; I82-Y276 HydrophobicContact CG1-CE2 4.23Å; I82-S279 VanDerWaalsContact O-CB 3.28Å; I82-S279 WeakPolarHBondContact O-CB 3.46Å; I82-S279 PolarHBondContact O-OG 3.38Å; I82-L284 HydrophobicContact CD1-CB 4.46Å; I82-L284 HydrophobicContact CD1-CD1 4.41Å; I82-L331 HydrophobicContact CD1-CD1 4.36Å; I82-L331 HydrophobicContact CD1-CD2 3.38Å
83	S	91.1	Very high	91.7	Very high	65 Å²	65	39.2 Å²	39.2	46%	0.455	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-35	-176.9	-174.9	0	0	0	0	111.4	T93	S83-T93 WeakPolarHBondContact CB-O 3.4Å; S83-T93 PolarHBondContact N-O 3.21Å
84	G	92.3	Very high	91.7	Very high	22 Å²	22	39.2 Å²	39.2	23%	0.227	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.1	169.8	172.4	0	0	0	0	0	112.2	I82 T93	I82-G84 VanDerWaalsContact C-N 3.33Å; G84-T93 PolarHBondContact N-O 2.79Å; G84-T93 PolarHBondContact O-N 3.11Å
85	L	93.7	Very high	91.6	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.7	166.8	174.4	61.4	0	0	0	106.4	E87 L92 C171 V173 Q183 W282	L85-E87 PolarHBondContact O-N 2.89Å; L85-L92 HydrophobicContact CB-CD1 4.08Å; L85-L92 HydrophobicContact CD1-CB 3.96Å; L85-L92 HydrophobicContact CD1-CD1 4.23Å; L85-C171 HydrophobicContact CD1-CB 4.16Å; L85-V173 HydrophobicContact CD1-CG2 4.05Å; L85-V173 HydrophobicContact CD2-CG2 3.97Å; L85-V173 HydrophobicContact CG-CG2 4.18Å; L85-Q183 HydrophobicContact CD2-CB 4.2Å; L85-Q183 HydrophobicContact CD2-CG 3.85Å; L85-W282 HydrophobicContact CB-CZ2 4.13Å; L85-W282 HydrophobicContact CD2-CH2 4.03Å; L85-W282 HydrophobicContact CD2-CZ2 3.74Å; L85-W282 HydrophobicContact CG-CZ2 4.36Å
86	D	93.1	Very high	91.6	Very high	67 Å²	67	37 Å²	37	36%	0.358	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	101.5	170.8	-178.1	-28.8	0	0	0	107.4	R88 N89 Q90 V91	D86-R88 VanDerWaalsContact C-N 3.29Å; D86-R88 PolarHBondContact O-N 3.2Å; D86-R88 PolarHBondContact OD1-N 3.3Å; D86-R88 VanDerWaalsContact OD1-N 3.09Å; D86-N89 PolarHBondContact OD1-N 3.18Å; D86-N89 PolarHBondContact OD1-ND2 2.81Å; D86-N89 PolarHBondContact OD2-ND2 3.37Å; D86-Q90 VanDerWaalsContact O-CA 3.29Å; D86-Q90 WeakPolarHBondContact O-CA 3.34Å; D86-Q90 PolarHBondContact O-N 3.12Å; D86-V91 HydrophobicContact CB-CB 4.49Å; D86-V91 PolarHBondContact N-O 2.89Å; D86-V91 PolarHBondContact O-N 3.04Å
87	E	90.4	Very high	91.6	Very high	29 Å²	29	38.2 Å²	38.2	14%	0.136	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-33.2	-176.8	-56.8	89.3	166.1	0	0	112.1	L85 Q90 V173 W282 R333 P389	L85-E87 PolarHBondContact O-N 2.89Å; E87-Q90 PolarHBondContact O-N 2.78Å; E87-V173 HydrophobicContact CB-CG1 4.22Å; E87-V173 HydrophobicContact CG-CG1 4.04Å; E87-W282 WeakPolarHBondContact OE1-CZ2 3.37Å; E87-R333 IonicContact OE1-CZ 3.67Å; E87-R333 IonicContact OE1-NH1 3.72Å; E87-R333 PolarHBondContact OE1-NH1 3.45Å; E87-R333 IonicContact OE1-NH2 3.15Å; E87-R333 PolarHBondContact OE1-NH2 2.91Å; E87-P389 WeakPolarHBondContact O-CB 3.43Å; E87-P389 VanDerWaalsContact O-CD 3.31Å; E87-P389 WeakPolarHBondContact O-CD 3.49Å; E87-P389 VanDerWaalsContact O-CG 3.22Å; E87-P389 WeakPolarHBondContact O-CG 3.45Å
88	R	90.2	Very high	91.7	Very high	133 Å²	133	38 Å²	38	50%	0.502	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-45.4	-175.9	171.8	174.7	170.3	159.3	-2.9	111.8	D86 E386	D86-R88 VanDerWaalsContact C-N 3.29Å; D86-R88 PolarHBondContact O-N 3.2Å; D86-R88 PolarHBondContact OD1-N 3.3Å; D86-R88 VanDerWaalsContact OD1-N 3.09Å; R88-E386 WeakPolarHBondContact CD-O 3.44Å; R88-E386 PolarHBondContact NH1-O 3Å
89	N	91.3	Very high	91.8	Very high	97 Å²	97	37.5 Å²	37.5	52%	0.519	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.1	178.3	-61.6	-49	0	0	0	112.7	D86 V91	D86-N89 PolarHBondContact OD1-N 3.18Å; D86-N89 PolarHBondContact OD1-ND2 2.81Å; D86-N89 PolarHBondContact OD2-ND2 3.37Å; N89-V91 HydrophobicContact CB-CG2 4.26Å
90	Q	92.5	Very high	91.8	Very high	48 Å²	48	37.5 Å²	37.5	22%	0.224	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	40.6	-179.5	-59.1	-164.6	-34.6	0	0	113.8	D86 E87 F170 C171 P389 T391	D86-Q90 VanDerWaalsContact O-CA 3.29Å; D86-Q90 WeakPolarHBondContact O-CA 3.34Å; D86-Q90 PolarHBondContact O-N 3.12Å; E87-Q90 PolarHBondContact O-N 2.78Å; Q90-F170 WeakPolarHBondContact O-CA 3.32Å; Q90-C171 WeakPolarHBondContact CB-O 3.49Å; Q90-C171 PolarHBondContact O-N 3.04Å; Q90-P389 HydrophobicContact CG-CB 4.21Å; Q90-T391 VanDerWaalsContact NE2-CG2 3.33Å
91	V	94.2	Very high	92.1	Very high	20 Å²	20	35.9 Å²	35.9	12%	0.121	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.9	-175.5	-179.1	0	0	0	0	111.8	D86 N89 A138 K168 T169 F170	D86-V91 HydrophobicContact CB-CB 4.49Å; D86-V91 PolarHBondContact N-O 2.89Å; D86-V91 PolarHBondContact O-N 3.04Å; N89-V91 HydrophobicContact CB-CG2 4.26Å; V91-A138 HydrophobicContact CB-CB 4.42Å; V91-A138 HydrophobicContact CG1-CB 3.89Å; V91-A138 HydrophobicContact CG2-CB 3.72Å; V91-K168 HydrophobicContact CG1-CB 3.76Å; V91-K168 HydrophobicContact CG1-CG 4.29Å; V91-T169 CarbonylContact C-O 3.6Å; V91-T169 WeakPolarHBondContact CA-O 3.19Å; V91-F170 HydrophobicContact CG2-CD1 4.48Å
92	L	94.8	Very high	92.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.3	167	-177.1	70.8	0	0	0	109.6	I82 L85 T94 K168 T169 C171 C185 L329 L331	I82-L92 HydrophobicContact CG2-CD1 4.04Å; L85-L92 HydrophobicContact CB-CD1 4.08Å; L85-L92 HydrophobicContact CD1-CB 3.96Å; L85-L92 HydrophobicContact CD1-CD1 4.23Å; L92-T94 HydrophobicContact CD1-CG2 4.48Å; L92-T94 HydrophobicContact CD2-CG2 3.63Å; L92-T94 HydrophobicContact CG-CG2 3.86Å; L92-K168 CarbonylContact O-C 3.5Å; L92-K168 VanDerWaalsContact O-CA 3.28Å; L92-K168 WeakPolarHBondContact O-CA 3.26Å; L92-T169 PolarHBondContact N-O 3.3Å; L92-T169 PolarHBondContact O-N 3.22Å; L92-C171 HydrophobicContact CB-CB 4.24Å; L92-C185 HydrophobicContact CD2-CB 3.68Å; L92-L329 HydrophobicContact CD2-CD1 3.91Å; L92-L331 HydrophobicContact CD1-CD1 3.89Å
93	T	93.9	Very high	92.4	Very high	25 Å²	25	36.2 Å²	36.2	15%	0.153	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.1	170.8	-55.8	0	0	0	0	110.7	S83 G84 Q166 L167 K168	S83-T93 WeakPolarHBondContact CB-O 3.4Å; S83-T93 PolarHBondContact N-O 3.21Å; G84-T93 PolarHBondContact N-O 2.79Å; G84-T93 PolarHBondContact O-N 3.11Å; T93-Q166 HydrophobicContact CG2-CG 4.11Å; T93-L167 WeakPolarHBondContact CA-O 3.41Å; T93-K168 HydrophobicContact CG2-CG 4.36Å
94	T	92.9	Very high	92.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146	178.2	58.9	0	0	0	0	112.1	L79 I82 L92 L167 I187 L329	L79-T94 HydrophobicContact CD1-CG2 4.5Å; I82-T94 HydrophobicContact CG1-CG2 4.39Å; L92-T94 HydrophobicContact CD1-CG2 4.48Å; L92-T94 HydrophobicContact CD2-CG2 3.63Å; L92-T94 HydrophobicContact CG-CG2 3.86Å; T94-L167 PolarHBondContact N-O 2.78Å; T94-L167 PolarHBondContact O-N 3.09Å; T94-I187 HydrophobicContact CG2-CD1 4Å; T94-I187 WeakPolarHBondContact OG1-CD1 3.42Å; T94-L329 HydrophobicContact CG2-CD1 4.01Å
95	I	91.4	Very high	92.7	Very high	44 Å²	44	34.4 Å²	34.4	23%	0.226	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.4	166.6	-54.3	177.6	0	0	0	107.4	Q80 Q81 V165	Q80-I95 HydrophobicContact CB-CB 4.44Å; Q80-I95 HydrophobicContact CB-CG2 4.19Å; Q80-I95 WeakPolarHBondContact CB-O 3.44Å; Q80-I95 PolarHBondContact N-O 2.94Å; Q81-I95 HydrophobicContact CB-CB 4.39Å; Q81-I95 HydrophobicContact CB-CD1 4.45Å; Q81-I95 PolarHBondContact N-O 3.3Å; Q81-I95 PolarHBondContact O-N 3.38Å; I95-V165 WeakPolarHBondContact CA-O 3.4Å
96	L	90.7	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.6	178.9	-53.4	-177.9	0	0	0	109.9	I77 R78 L79 L98 P164 V165 L167 I187 F189 L327	I77-L96 HydrophobicContact CG2-CD1 4.15Å; R78-L96 CarbonylContact O-C 3.59Å; R78-L96 WeakPolarHBondContact O-CA 3.22Å; L79-L96 HydrophobicContact CB-CD2 4.15Å; L79-L96 HydrophobicContact CD1-CD2 3.5Å; L79-L96 VanDerWaalsContact CD1-CD2 3.5Å; L79-L96 HydrophobicContact CG-CD2 4.41Å; L96-L98 HydrophobicContact CB-CD2 4.39Å; L96-L98 HydrophobicContact CB-CG 4.35Å; L96-L98 HydrophobicContact CD1-CD2 4.27Å; L96-P164 CarbonylContact O-C 3.52Å; L96-P164 WeakPolarHBondContact O-CA 3.49Å; L96-V165 HydrophobicContact CB-CG2 3.92Å; L96-V165 PolarHBondContact N-O 3.19Å; L96-V165 PolarHBondContact O-N 3.33Å; L96-L167 HydrophobicContact CD1-CD1 3.64Å; L96-L167 HydrophobicContact CG-CD1 4.44Å; L96-I187 HydrophobicContact CD1-CD1 4.28Å; L96-F189 HydrophobicContact CD1-CZ 3.83Å; L96-L327 HydrophobicContact CD1-CD2 4.39Å; L96-L327 HydrophobicContact CD2-CD2 4.38Å
97	F	90	Very high	92.8	Very high	40 Å²	40	36.5 Å²	36.5	18%	0.175	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.3	159.8	-172.6	-80.7	0	0	0	107.5	R78 Q80 E99 P162	R78-F97 HydrophobicContact CB-CB 4.27Å; R78-F97 PolarHBondContact N-O 3.16Å; R78-F97 VanDerWaalsContact NH2-CD1 3.35Å; R78-F97 VanDerWaalsContact NH2-CE1 3.26Å; R78-F97 PolarHBondContact O-N 2.62Å; Q80-F97 HydrophobicContact CG-CB 4.39Å; F97-E99 HydrophobicContact CE1-CB 4.29Å; F97-P162 HydrophobicContact CE1-CB 3.83Å; F97-P162 HydrophobicContact CE2-CB 4.4Å; F97-P162 HydrophobicContact CZ-CB 3.5Å
98	L	89.1	Confident	93	Very high	2 Å²	2	39 Å²	39	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126	176.9	-62.7	176.6	0	0	0	108.5	I75 I77 L96 F145 P162 I163 V165 F189	I75-L98 HydrophobicContact CG2-CD2 4.42Å; I77-L98 HydrophobicContact CB-CD2 4.11Å; I77-L98 HydrophobicContact CD1-CD2 4.25Å; I77-L98 HydrophobicContact CG1-CD2 3.72Å; I77-L98 HydrophobicContact CG2-CD2 3.8Å; L96-L98 HydrophobicContact CB-CD2 4.39Å; L96-L98 HydrophobicContact CB-CG 4.35Å; L96-L98 HydrophobicContact CD1-CD2 4.27Å; L98-F145 HydrophobicContact CD1-CD1 4.43Å; L98-F145 HydrophobicContact CD1-CE1 3.44Å; L98-F145 VanDerWaalsContact CD1-CE1 3.44Å; L98-F145 HydrophobicContact CD1-CZ 3.64Å; L98-P162 WeakPolarHBondContact O-CA 3.3Å; L98-I163 PolarHBondContact N-O 3.49Å; L98-I163 PolarHBondContact O-N 2.94Å; L98-V165 HydrophobicContact CD1-CG1 4.33Å; L98-V165 HydrophobicContact CD1-CG2 3.56Å; L98-V165 HydrophobicContact CG-CG2 3.86Å; L98-F189 HydrophobicContact CD1-CE1 3.73Å; L98-F189 HydrophobicContact CD1-CZ 4.28Å; L98-F189 HydrophobicContact CD2-CE1 4.3Å; L98-F189 HydrophobicContact CD2-CZ 4.12Å
99	E	91	Very high	93.2	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.262	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.7	169.5	-178.2	-178.9	-175.7	0	0	108.6	S76 F97 I101 S160 P162	S76-E99 PolarHBondContact N-O 2.74Å; S76-E99 PolarHBondContact O-N 3.48Å; F97-E99 HydrophobicContact CE1-CB 4.29Å; E99-I101 HydrophobicContact CG-CD1 4.33Å; E99-I101 HydrophobicContact CG-CG1 4.07Å; E99-S160 WeakPolarHBondContact CG-OG 3.47Å; E99-S160 PolarHBondContact OE1-OG 2.89Å; E99-P162 HydrophobicContact CG-CB 4.44Å
100	Q	92	Very high	93.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.6	179.5	-54.2	-172.7	74.2	0	0	109	I75 W102 T132 S160 W161	I75-Q100 HydrophobicContact CD1-CG 4.38Å; I75-Q100 HydrophobicContact CG1-CG 4.3Å; Q100-W102 HydrophobicContact CB-CE3 4.42Å; Q100-W102 HydrophobicContact CB-CZ3 4.13Å; Q100-T132 PolarHBondContact OE1-OG1 3.3Å; Q100-S160 CarbonylContact O-C 3.59Å; Q100-S160 WeakPolarHBondContact O-CA 3.2Å; Q100-W161 HydrophobicContact CB-CB 4.45Å; Q100-W161 PolarHBondContact N-O 3.05Å; Q100-W161 VanDerWaalsContact N-O 3.09Å; Q100-W161 PolarHBondContact O-N 3.04Å
101	I	94.8	Very high	93.4	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.108	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.8	-175.2	-53.1	175.8	0	0	0	109.4	K74 E99 R158 I159 Q204	K74-I101 HydrophobicContact CB-CB 4.37Å; K74-I101 PolarHBondContact N-O 3.27Å; K74-I101 PolarHBondContact O-N 2.89Å; E99-I101 HydrophobicContact CG-CD1 4.33Å; E99-I101 HydrophobicContact CG-CG1 4.07Å; I101-R158 HydrophobicContact CG2-CG 3.82Å; I101-I159 VanDerWaalsContact CA-O 3.28Å; I101-I159 WeakPolarHBondContact CA-O 3.31Å; I101-Q204 HydrophobicContact CD1-CG 4.45Å
102	W	95.3	Very high	93.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	175.3	171.6	66.9	101.3	0	0	0	109.8	V73 Q100 W128 T129 P130 V151 I159 W161	V73-W102 HydrophobicContact CG2-CB 4.34Å; Q100-W102 HydrophobicContact CB-CE3 4.42Å; Q100-W102 HydrophobicContact CB-CZ3 4.13Å; W102-W128 HydrophobicContact CG-CZ3 4.41Å; W102-W128 VanDerWaalsContact CZ2-O 3.28Å; W102-W128 WeakPolarHBondContact CZ2-O 3.47Å; W102-W128 AromaticContact NE1-CE3 3.75Å; W102-W128 AromaticContact NE1-CZ3 3.96Å; W102-T129 HydrophobicContact CH2-CG2 4.25Å; W102-T129 HydrophobicContact CZ2-CG2 4.31Å; W102-P130 HydrophobicContact CE3-CG 4.01Å; W102-P130 HydrophobicContact CH2-CG 4.47Å; W102-P130 HydrophobicContact CZ3-CG 3.98Å; W102-V151 HydrophobicContact CH2-CG1 4.17Å; W102-I159 HydrophobicContact CD2-CB 4.14Å; W102-I159 HydrophobicContact CH2-CB 4.44Å; W102-I159 HydrophobicContact CH2-CG2 3.79Å; W102-I159 HydrophobicContact CZ2-CB 4.01Å; W102-I159 HydrophobicContact CZ2-CD1 4.12Å; W102-I159 HydrophobicContact CZ2-CG2 3.62Å; W102-I159 HydrophobicContact CZ3-CG2 4.3Å; W102-I159 PolarHBondContact N-O 2.97Å; W102-I159 VanDerWaalsContact N-O 3.15Å; W102-I159 PolarHBondContact O-N 2.91Å; W102-W161 HydrophobicContact CH2-CB 3.82Å; W102-W161 HydrophobicContact CH2-CD2 4.33Å; W102-W161 HydrophobicContact CH2-CE3 4.04Å; W102-W161 HydrophobicContact CH2-CG 4.33Å; W102-W161 HydrophobicContact CZ3-CB 3.67Å; W102-W161 HydrophobicContact CZ3-CE3 4.19Å
103	E	95.7	Very high	93.1	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.369	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.8	174.2	-55.4	-165.2	165	0	0	108.9	R158	E103-R158 HydrophobicContact CG-CB 4.16Å; E103-R158 HydrophobicContact CG-CG 4.16Å; E103-R158 IonicContact OE1-CZ 3.44Å; E103-R158 IonicContact OE1-NE 3.78Å; E103-R158 PolarHBondContact OE1-NE 3.3Å; E103-R158 IonicContact OE1-NH2 2.68Å; E103-R158 PolarHBondContact OE1-NH2 3.34Å
104	D	95.9	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.			trans	-107.2	126.8	-179	-177.7	-51.9	0	0	0	108.5	Y57 P63 Y106 L107 K108 G157 I159	Y57-D104 WeakPolarHBondContact CE2-OD2 3.39Å; Y57-D104 PolarHBondContact OH-OD2 3.46Å; P63-D104 HydrophobicContact CB-CB 3.95Å; P63-D104 WeakPolarHBondContact CB-OD2 3.49Å; P63-D104 HydrophobicContact CG-CB 4.18Å; D104-Y106 VanDerWaalsContact C-N 3.33Å; D104-Y106 WeakPolarHBondContact OD1-CA 3.4Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.36Å; D104-Y106 PolarHBondContact OD1-N 3.36Å; D104-L107 HydrophobicContact CB-CB 4.27Å; D104-L107 PolarHBondContact OD1-N 2.88Å; D104-K108 WeakPolarHBondContact O-CE 3.38Å; D104-G157 PolarHBondContact N-O 3.21Å; D104-I159 HydrophobicContact CB-CD1 3.74Å; D104-I159 HydrophobicContact CB-CG1 4.19Å
105	E	94.2	Very high	92.6	Very high	48 Å²	48	43 Å²	43	22%	0.224	22%	0.219	C	C	.	.	S	Bend	trans	-79.2	-13.1	-174.8	-74.2	-125.4	87.7	0	0	115.7	P63 L64 K65 K108	P63-E105 WeakPolarHBondContact O-CB 3.28Å; P63-E105 WeakPolarHBondContact O-CG 3.35Å; P63-E105 PolarHBondContact O-N 3.1Å; P63-E105 VanDerWaalsContact O-N 3.08Å; L64-E105 HydrophobicContact CD2-CG 4.43Å; K65-E105 WeakPolarHBondContact CB-OE2 3.18Å; K65-E105 HydrophobicContact CD-CB 4.29Å; K65-E105 WeakPolarHBondContact CD-OE2 3.33Å; K65-E105 VanDerWaalsContact CE-O 3.31Å; K65-E105 WeakPolarHBondContact CE-O 3.43Å; K65-E105 HydrophobicContact CG-CB 4.22Å; K65-E105 WeakPolarHBondContact CG-OE2 3.19Å; K65-E105 PolarHBondContact N-OE2 3.38Å; K65-E105 PolarHBondContact NZ-O 3.25Å; K65-E105 IonicContact NZ-OE1 3.77Å; E105-K108 IonicContact OE1-NZ 3.61Å; E105-K108 PolarHBondContact OE1-NZ 3.46Å
106	Y	93.9	Very high	92.6	Very high	122 Å²	122	46 Å²	46	48%	0.478	24%	0.236	S	C	.	.	S	Bend	trans	-104.2	-35	-175.1	-59.4	-87.2	0	0	0	111.4	P63 L64 K65 D104 K108	P63-Y106 HydrophobicContact CB-CD2 4.26Å; L64-Y106 PolarHBondContact O-OH 3.43Å; K65-Y106 HydrophobicContact CG-CE1 4.31Å; D104-Y106 VanDerWaalsContact C-N 3.33Å; D104-Y106 WeakPolarHBondContact OD1-CA 3.4Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.36Å; D104-Y106 PolarHBondContact OD1-N 3.36Å; Y106-K108 PolarHBondContact O-N 3.16Å
107	L	94.9	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-82.1	46.9	178.7	-59.6	177.8	0	0	0	113.2	I53 M54 Y57 D104 V127 V153 G157 I159	I53-L107 HydrophobicContact CB-CD2 3.88Å; I53-L107 HydrophobicContact CD1-CD2 4.06Å; I53-L107 HydrophobicContact CG1-CD2 3.9Å; M54-L107 HydrophobicContact SD-CD2 4.03Å; Y57-L107 HydrophobicContact CD2-CD1 4.41Å; Y57-L107 HydrophobicContact CD2-CD2 3.54Å; Y57-L107 HydrophobicContact CD2-CG 3.83Å; Y57-L107 HydrophobicContact CE2-CD1 3.76Å; Y57-L107 HydrophobicContact CE2-CD2 3.73Å; Y57-L107 HydrophobicContact CE2-CG 3.47Å; Y57-L107 VanDerWaalsContact CE2-CG 3.47Å; Y57-L107 HydrophobicContact CG-CD2 4.08Å; D104-L107 HydrophobicContact CB-CB 4.27Å; D104-L107 PolarHBondContact OD1-N 2.88Å; L107-V127 HydrophobicContact CD1-CB 4.29Å; L107-V127 HydrophobicContact CD1-CG1 3.71Å; L107-V153 HydrophobicContact CB-CG1 4.03Å; L107-G157 WeakPolarHBondContact O-CA 3.07Å; L107-I159 HydrophobicContact CD1-CD1 3.95Å
108	K	94.6	Very high	92.8	Very high	80 Å²	80	52.8 Å²	52.8	35%	0.348	26%	0.262	S	S	.	.			trans	-109.7	137.2	179	-69.8	174.3	177.9	171.7	0	110.3	D104 E105 Y106 S156	D104-K108 WeakPolarHBondContact O-CE 3.38Å; E105-K108 IonicContact OE1-NZ 3.61Å; E105-K108 PolarHBondContact OE1-NZ 3.46Å; Y106-K108 PolarHBondContact O-N 3.16Å; K108-S156 VanDerWaalsContact CE-O 3.31Å; K108-S156 WeakPolarHBondContact CE-O 3.46Å
109	W	94.4	Very high	93.1	Very high	19 Å²	19	55.8 Å²	55.8	7%	0.072	28%	0.281	C	S	.	.			trans	-146.4	157.7	174.9	71.6	92.3	0	0	0	112.3	V49 I53 F114 V117 L120 V153 S155	V49-W109 HydrophobicContact CG1-CD2 3.55Å; V49-W109 HydrophobicContact CG1-CE3 3.92Å; V49-W109 HydrophobicContact CG1-CG 3.89Å; V49-W109 HydrophobicContact CG1-CH2 4.38Å; V49-W109 HydrophobicContact CG1-CZ2 4.09Å; V49-W109 HydrophobicContact CG1-CZ3 4.31Å; I53-W109 HydrophobicContact CD1-CE3 4.32Å; I53-W109 HydrophobicContact CD1-CZ3 4.16Å; I53-W109 HydrophobicContact CG2-CB 4.27Å; I53-W109 HydrophobicContact CG2-CE3 4Å; W109-F114 HydrophobicContact CB-CD2 4.42Å; W109-F114 HydrophobicContact CB-CE2 4.31Å; W109-V117 HydrophobicContact CZ2-CG1 4.37Å; W109-V117 PolarHBondContact NE1-O 2.86Å; W109-L120 HydrophobicContact CH2-CB 4.01Å; W109-L120 HydrophobicContact CZ2-CB 4.45Å; W109-V153 HydrophobicContact CH2-CB 4.47Å; W109-V153 HydrophobicContact CH2-CG1 4.21Å; W109-V153 HydrophobicContact CZ3-CB 4.43Å; W109-V153 HydrophobicContact CZ3-CG1 3.75Å; W109-S155 PolarHBondContact N-O 3.3Å; W109-S155 VanDerWaalsContact N-O 3.15Å
110	N	94.6	Very high	93.3	Very high	73 Å²	73	53.7 Å²	53.7	39%	0.39	27%	0.271	S	S	.	.			trans	-84.6	124.7	177.3	-175.7	8.9	0	0	0	111.1	S112 E113	N110-S112 VanDerWaalsContact C-N 3.27Å; N110-S112 PolarHBondContact ND2-OG 3.43Å; N110-S112 PolarHBondContact O-N 2.82Å; N110-S112 PolarHBondContact OD1-N 2.74Å; N110-S112 PolarHBondContact OD1-OG 2.85Å; N110-E113 HydrophobicContact CB-CB 4.49Å; N110-E113 HydrophobicContact CB-CG 4.26Å; N110-E113 VanDerWaalsContact CB-OE1 3.3Å; N110-E113 WeakPolarHBondContact CB-OE1 3.25Å; N110-E113 PolarHBondContact ND2-OE1 3.24Å; N110-E113 PolarHBondContact O-N 2.72Å
111	E	93.6	Very high	93.4	Very high	47 Å²	47	62.5 Å²	62.5	22%	0.22	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-59.2	-37.3	-178.6	-64.5	-170.7	179.8	0	0	112.2	E113 F114 N116 R118 S155	E111-E113 VanDerWaalsContact C-N 3.33Å; E111-E113 PolarHBondContact O-N 3.06Å; E111-F114 PolarHBondContact O-N 3.18Å; E111-N116 WeakPolarHBondContact O-CA 3.34Å; E111-N116 PolarHBondContact O-N 3.31Å; E111-R118 WeakPolarHBondContact OE1-CG 3.34Å; E111-R118 IonicContact OE1-NE 2.79Å; E111-R118 WeakPolarHBondContact OE2-CG 3.48Å; E111-R118 IonicContact OE2-CZ 3.57Å; E111-R118 IonicContact OE2-NE 2.71Å; E111-R118 PolarHBondContact OE2-NE 2.75Å; E111-R118 IonicContact OE2-NH2 3.39Å; E111-S155 WeakPolarHBondContact OE1-CB 3.28Å; E111-S155 PolarHBondContact OE1-OG 3.31Å
112	S	91.9	Very high	93.4	Very high	86 Å²	86	61.5 Å²	61.5	60%	0.601	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-71	-24.7	-174.8	62.1	0	0	0	0	114.4	N110	N110-S112 VanDerWaalsContact C-N 3.27Å; N110-S112 PolarHBondContact ND2-OG 3.43Å; N110-S112 PolarHBondContact O-N 2.82Å; N110-S112 PolarHBondContact OD1-N 2.74Å; N110-S112 PolarHBondContact OD1-OG 2.85Å
113	E	90.1	Very high	93.3	Very high	118 Å²	118	63.3 Å²	63.3	55%	0.551	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-77.1	-27.5	-179.9	-74.8	162.3	-137.5	0	0	112.1	N110 E111	N110-E113 HydrophobicContact CB-CB 4.49Å; N110-E113 HydrophobicContact CB-CG 4.26Å; N110-E113 VanDerWaalsContact CB-OE1 3.3Å; N110-E113 WeakPolarHBondContact CB-OE1 3.25Å; N110-E113 PolarHBondContact ND2-OE1 3.24Å; N110-E113 PolarHBondContact O-N 2.72Å; E111-E113 VanDerWaalsContact C-N 3.33Å; E111-E113 PolarHBondContact O-N 3.06Å
114	F	90.2	Very high	93.1	Very high	20 Å²	20	60 Å²	60	9%	0.088	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-120.6	47.2	-174	-57.8	-83.9	0	0	0	112.2	H45 Q48 V49 Y52 W109 E111 N116 V117	H45-F114 WeakPolarHBondContact CB-O 3.24Å; Q48-F114 HydrophobicContact CB-CD1 3.86Å; Q48-F114 HydrophobicContact CB-CE1 4.07Å; V49-F114 HydrophobicContact CG2-CB 3.33Å; V49-F114 HydrophobicContact CG2-CD1 3.79Å; V49-F114 HydrophobicContact CG2-CD2 4Å; V49-F114 HydrophobicContact CG2-CG 3.45Å; V49-F114 VanDerWaalsContact CG2-CG 3.45Å; Y52-F114 HydrophobicContact CD1-CE2 4.23Å; Y52-F114 AromaticContact CD1-CZ 3.98Å; Y52-F114 HydrophobicContact CD1-CZ 3.98Å; Y52-F114 HydrophobicContact CD2-CZ 4.08Å; Y52-F114 HydrophobicContact CG-CE2 4.43Å; Y52-F114 AromaticContact CG-CZ 3.72Å; Y52-F114 HydrophobicContact CG-CZ 3.72Å; W109-F114 HydrophobicContact CB-CD2 4.42Å; W109-F114 HydrophobicContact CB-CE2 4.31Å; E111-F114 PolarHBondContact O-N 3.18Å; F114-N116 VanDerWaalsContact C-N 3.28Å; F114-N116 PolarHBondContact O-N 2.76Å; F114-V117 VanDerWaalsContact O-CG2 3.31Å; F114-V117 WeakPolarHBondContact O-CG2 3.38Å; F114-V117 PolarHBondContact O-N 3.32Å
115	G	86.2	Confident	92.7	Very high	45 Å²	45	67 Å²	67	46%	0.464	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	29.1	169.8	0	0	0	0	0	115.2	V117	G115-V117 VanDerWaalsContact C-N 3.35Å; G115-V117 PolarHBondContact O-N 3.38Å
116	N	91.4	Very high	92.7	Very high	108 Å²	108	68.2 Å²	68.2	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	28.2	-176.5	-54	-50.3	0	0	0	115.4	E111 F114 R118	E111-N116 WeakPolarHBondContact O-CA 3.34Å; E111-N116 PolarHBondContact O-N 3.31Å; F114-N116 VanDerWaalsContact C-N 3.28Å; F114-N116 PolarHBondContact O-N 2.76Å; N116-R118 WeakPolarHBondContact O-CG 3.37Å; N116-R118 PolarHBondContact O-N 3.3Å; N116-R118 VanDerWaalsContact O-N 3.08Å
117	V	92.5	Very high	92.6	Very high	19 Å²	19	62.6 Å²	62.6	12%	0.115	31%	0.312	C	S	.	.			trans	-64.2	107.4	168.7	172.2	0	0	0	0	109.5	H45 E46 V49 W109 F114 G115	H45-V117 HydrophobicContact CB-CG2 3.87Å; E46-V117 HydrophobicContact CG-CG1 4.19Å; E46-V117 HydrophobicContact CG-CG2 3.88Å; V49-V117 HydrophobicContact CG2-CB 4.21Å; V49-V117 HydrophobicContact CG2-CG1 4.16Å; W109-V117 HydrophobicContact CZ2-CG1 4.37Å; W109-V117 PolarHBondContact NE1-O 2.86Å; F114-V117 VanDerWaalsContact O-CG2 3.31Å; F114-V117 WeakPolarHBondContact O-CG2 3.38Å; F114-V117 PolarHBondContact O-N 3.32Å; G115-V117 VanDerWaalsContact C-N 3.35Å; G115-V117 PolarHBondContact O-N 3.38Å
118	R	93.7	Very high	92.6	Very high	162 Å²	162	63 Å²	63	61%	0.611	31%	0.314	S	S	*	.			trans	-87.4	-29	-178.4	-58.7	-151.1	159.4	134.9	0.8	115	E111 N116 H154 S155	E111-R118 WeakPolarHBondContact OE1-CG 3.34Å; E111-R118 IonicContact OE1-NE 2.79Å; E111-R118 WeakPolarHBondContact OE2-CG 3.48Å; E111-R118 IonicContact OE2-CZ 3.57Å; E111-R118 IonicContact OE2-NE 2.71Å; E111-R118 PolarHBondContact OE2-NE 2.75Å; E111-R118 IonicContact OE2-NH2 3.39Å; N116-R118 WeakPolarHBondContact O-CG 3.37Å; N116-R118 PolarHBondContact O-N 3.3Å; N116-R118 VanDerWaalsContact O-N 3.08Å; R118-H154 CarbonylContact O-C 3.53Å; R118-H154 WeakPolarHBondContact O-CA 3.46Å; R118-S155 PolarHBondContact O-N 3.4Å
119	T	95	Very high	92.5	Very high	65 Å²	65	61.4 Å²	61.4	40%	0.399	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.1	-172.4	53.6	0	0	0	0	110.2	V153 H154	T119-V153 CarbonylContact C-O 3.6Å; T119-V153 WeakPolarHBondContact CA-O 3.19Å; T119-H154 WeakPolarHBondContact CG2-ND1 3.4Å
120	L	94.5	Very high	92.4	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.063	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.6	177.1	-170.7	65.6	0	0	0	110.1	E46 V49 Y50 I53 W109 I122 V153	E46-L120 HydrophobicContact CB-CD1 3.96Å; V49-L120 HydrophobicContact CB-CD2 4.44Å; V49-L120 HydrophobicContact CG1-CD2 3.99Å; Y50-L120 HydrophobicContact CD2-CD2 4.33Å; I53-L120 HydrophobicContact CD1-CD2 3.86Å; W109-L120 HydrophobicContact CH2-CB 4.01Å; W109-L120 HydrophobicContact CZ2-CB 4.45Å; L120-I122 HydrophobicContact CD2-CD1 4.09Å; L120-I122 HydrophobicContact CD2-CG1 4.02Å; L120-I122 HydrophobicContact CG-CG1 4.08Å; L120-V153 PolarHBondContact N-O 3.34Å; L120-V153 PolarHBondContact O-N 2.82Å
121	R	94.4	Very high	92.1	Very high	187 Å²	187	59.2 Å²	59.2	71%	0.706	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.7	172.3	-73.5	173.7	-177.3	177.9	1.2	109	V151 L152	R121-V151 WeakPolarHBondContact CA-O 3.1Å; R121-L152 HydrophobicContact CG-CD2 3.65Å
122	I	94.1	Very high	91.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.5	-178.9	-50.3	-176.6	0	0	0	108.5	Y50 I53 M54 L120 A124 Q126 V127 Y150 V151 V153	Y50-I122 HydrophobicContact CE2-CG2 4.26Å; I53-I122 HydrophobicContact CD1-CD1 3.76Å; M54-I122 HydrophobicContact CE-CG2 3.97Å; M54-I122 HydrophobicContact SD-CD1 4.01Å; M54-I122 HydrophobicContact SD-CG2 4.29Å; L120-I122 HydrophobicContact CD2-CD1 4.09Å; L120-I122 HydrophobicContact CD2-CG1 4.02Å; L120-I122 HydrophobicContact CG-CG1 4.08Å; I122-A124 PolarHBondContact O-N 3.06Å; I122-Q126 HydrophobicContact CG2-CB 4.28Å; I122-V127 HydrophobicContact CB-CG1 4.21Å; I122-V127 HydrophobicContact CD1-CG1 4.29Å; I122-V127 HydrophobicContact CG2-CG1 3.78Å; I122-Y150 CarbonylContact O-C 3.49Å; I122-Y150 VanDerWaalsContact O-CA 3.29Å; I122-Y150 WeakPolarHBondContact O-CA 3.35Å; I122-V151 HydrophobicContact CB-CG2 3.98Å; I122-V151 PolarHBondContact N-O 2.82Å; I122-V151 WeakPolarHBondContact O-CG2 3.43Å; I122-V151 PolarHBondContact O-N 3.32Å; I122-V153 HydrophobicContact CD1-CB 4.33Å; I122-V153 HydrophobicContact CD1-CG2 3.65Å; I122-V153 HydrophobicContact CG1-CG2 4.06Å
123	P	93.1	Very high	91.6	Very high	40 Å²	40	56.5 Å²	56.5	26%	0.26	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	128	170.9	-28	33.7	0	0	0	112	K125 Q126 V149 Y150	P123-K125 PolarHBondContact O-N 3.16Å; P123-K125 VanDerWaalsContact O-N 3.08Å; P123-Q126 HydrophobicContact CB-CG 4.23Å; P123-Q126 VanDerWaalsContact CG-OE1 3.27Å; P123-Q126 WeakPolarHBondContact O-CB 3.48Å; P123-Q126 PolarHBondContact O-N 3.14Å; P123-V149 VanDerWaalsContact CA-O 3.28Å; P123-V149 WeakPolarHBondContact CA-O 3.42Å; P123-Y150 HydrophobicContact CG-CD1 4.16Å; P123-Y150 HydrophobicContact CG-CE1 3.88Å
124	A	91.3	Very high	91.6	Very high	10 Å²	10	50.9 Å²	50.9	8%	0.083	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27.5	-172.3	0	0	0	0	0	113.4	I122 Q126 V127 T129 G148 V149 V151 W161	I122-A124 PolarHBondContact O-N 3.06Å; A124-Q126 PolarHBondContact O-N 2.68Å; A124-V127 WeakPolarHBondContact O-CG2 3.15Å; A124-V127 PolarHBondContact O-N 2.73Å; A124-T129 HydrophobicContact CB-CG2 4.42Å; A124-G148 WeakPolarHBondContact CB-O 3.2Å; A124-V149 PolarHBondContact N-O 3.26Å; A124-V151 HydrophobicContact CB-CG1 4.1Å; A124-W161 HydrophobicContact CB-CZ2 3.82Å
125	K	89.2	Confident	91.4	Very high	147 Å²	147	52.2 Å²	52.2	64%	0.639	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-70.7	-4	176.4	-57.2	-167.4	179.2	-165.7	0	114.9	P123 E147	P123-K125 PolarHBondContact O-N 3.16Å; P123-K125 VanDerWaalsContact O-N 3.08Å; K125-E147 WeakPolarHBondContact CE-OE1 3.44Å; K125-E147 WeakPolarHBondContact CE-OE2 3.24Å; K125-E147 IonicContact NZ-OE1 2.82Å; K125-E147 PolarHBondContact NZ-OE1 3.28Å; K125-E147 IonicContact NZ-OE2 3.75Å; K125-E147 PolarHBondContact NZ-OE2 3.38Å
126	Q	92.2	Very high	91.5	Very high	73 Å²	73	51.2 Å²	51.2	34%	0.341	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-108.8	-9.2	-179.6	-62.9	178.2	-42.4	0	0	113.2	Y50 M54 I122 P123 A124	Y50-Q126 PolarHBondContact OH-NE2 3.06Å; Y50-Q126 PolarHBondContact OH-OE1 3.14Å; M54-Q126 HydrophobicContact CE-CB 3.69Å; M54-Q126 VanDerWaalsContact CE-O 3.3Å; M54-Q126 WeakPolarHBondContact CE-O 3.45Å; I122-Q126 HydrophobicContact CG2-CB 4.28Å; P123-Q126 HydrophobicContact CB-CG 4.23Å; P123-Q126 VanDerWaalsContact CG-OE1 3.27Å; P123-Q126 WeakPolarHBondContact O-CB 3.48Å; P123-Q126 PolarHBondContact O-N 3.14Å; A124-Q126 PolarHBondContact O-N 2.68Å
127	V	93.8	Very high	91.4	Very high	4 Å²	4	47 Å²	47	2%	0.024	22%	0.218	C	C	.	.	S	Bend	trans	-110.5	161.1	174.6	-60.9	0	0	0	0	109.8	Y57 S59 L107 I122 A124 T129 V151	Y57-V127 HydrophobicContact CE1-CB 4.48Å; S59-V127 VanDerWaalsContact CB-C 3.48Å; L107-V127 HydrophobicContact CD1-CB 4.29Å; L107-V127 HydrophobicContact CD1-CG1 3.71Å; I122-V127 HydrophobicContact CB-CG1 4.21Å; I122-V127 HydrophobicContact CD1-CG1 4.29Å; I122-V127 HydrophobicContact CG2-CG1 3.78Å; A124-V127 WeakPolarHBondContact O-CG2 3.15Å; A124-V127 PolarHBondContact O-N 2.73Å; V127-T129 HydrophobicContact CG2-CG2 4Å; V127-V151 HydrophobicContact CG1-CG2 4.22Å; V127-V151 HydrophobicContact CG2-CG1 3.99Å; V127-V151 HydrophobicContact CG2-CG2 3.78Å
128	W	94.2	Very high	91.3	Very high	9 Å²	9	46.9 Å²	46.9	3%	0.034	22%	0.219	C	C	.	.			trans	-66.6	135.8	164.5	-179	91.3	0	0	0	109.5	Y57 S59 V61 R62 P63 L71 W102 P130 Y194 I199	Y57-W128 PolarHBondContact OH-N 3.31Å; S59-W128 WeakPolarHBondContact O-CA 3.49Å; S59-W128 WeakPolarHBondContact O-CB 3.22Å; V61-W128 VanDerWaalsContact C-CD1 3.44Å; R62-W128 HydrophobicContact CG-CZ2 4.21Å; P63-W128 HydrophobicContact CG-CD2 4.34Å; P63-W128 HydrophobicContact CG-CE3 3.96Å; L71-W128 HydrophobicContact CD2-CE3 4.19Å; L71-W128 HydrophobicContact CD2-CH2 3.3Å; L71-W128 HydrophobicContact CD2-CZ2 4.21Å; L71-W128 HydrophobicContact CD2-CZ3 3.28Å; W102-W128 HydrophobicContact CG-CZ3 4.41Å; W102-W128 VanDerWaalsContact CZ2-O 3.28Å; W102-W128 WeakPolarHBondContact CZ2-O 3.47Å; W102-W128 AromaticContact NE1-CE3 3.75Å; W102-W128 AromaticContact NE1-CZ3 3.96Å; W128-P130 VanDerWaalsContact CH2-CA 3.46Å; W128-P130 HydrophobicContact CH2-CB 3.85Å; W128-P130 HydrophobicContact CZ3-CB 4.14Å; W128-Y194 HydrophobicContact CZ2-CE2 4.32Å; W128-I199 HydrophobicContact CH2-CD1 3.84Å; W128-I199 HydrophobicContact CZ2-CD1 3.82Å
129	T	92.3	Very high	90.9	Very high	46 Å²	46	40.6 Å²	40.6	28%	0.282	20%	0.197	S	C	.	.			trans	-129.4	145.6	177	57.2	0	0	0	0	111.4	W102 A124 V127 W161	W102-T129 HydrophobicContact CH2-CG2 4.25Å; W102-T129 HydrophobicContact CZ2-CG2 4.31Å; A124-T129 HydrophobicContact CB-CG2 4.42Å; V127-T129 HydrophobicContact CG2-CG2 4Å; T129-W161 HydrophobicContact CG2-CE3 4.23Å; T129-W161 HydrophobicContact CG2-CH2 4.04Å; T129-W161 HydrophobicContact CG2-CZ2 4.35Å; T129-W161 HydrophobicContact CG2-CZ3 3.98Å
130	P	91.8	Very high	89.7	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.039	22%	0.218	C	C	.	.			trans	-65.9	143.2	176.3	28.5	-35.2	0	0	0	112.1	V73 W102 W128 T132	V73-P130 HydrophobicContact CG1-CB 4.23Å; V73-P130 HydrophobicContact CG1-CG 4.14Å; V73-P130 HydrophobicContact CG2-CB 4.02Å; W102-P130 HydrophobicContact CE3-CG 4.01Å; W102-P130 HydrophobicContact CH2-CG 4.47Å; W102-P130 HydrophobicContact CZ3-CG 3.98Å; W128-P130 VanDerWaalsContact CH2-CA 3.46Å; W128-P130 HydrophobicContact CH2-CB 3.85Å; W128-P130 HydrophobicContact CZ3-CB 4.14Å; P130-T132 PolarHBondContact O-N 2.7Å; P130-T132 VanDerWaalsContact O-N 3.08Å
131	D	87.7	Confident	88.5	Confident	39 Å²	39	51.6 Å²	51.6	21%	0.209	25%	0.252	C	S	.	.			trans	-85.7	39.6	-176.2	72.4	-32.2	0	0	0	113	Y133 S191 W192 M193 Y194	D131-Y133 PolarHBondContact O-N 3.27Å; D131-S191 WeakPolarHBondContact OD1-CA 3.42Å; D131-S191 VanDerWaalsContact OD1-CB 3.28Å; D131-S191 WeakPolarHBondContact OD1-CB 3.44Å; D131-S191 PolarHBondContact OD1-OG 3.17Å; D131-S191 PolarHBondContact OD2-OG 2.85Å; D131-W192 PolarHBondContact O-N 3.32Å; D131-W192 PolarHBondContact OD2-N 2.84Å; D131-M193 VanDerWaalsContact OD2-CB 3.27Å; D131-M193 WeakPolarHBondContact OD2-CB 3.39Å; D131-M193 PolarHBondContact OD2-N 2.76Å; D131-Y194 WeakPolarHBondContact OD1-CD2 3.3Å
132	T	88.4	Confident	87.3	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	120.7	-176.6	-53.2	0	0	0	0	110.7	I75 Q100 P130 F145 F189 G190 Y201	I75-T132 HydrophobicContact CD1-CG2 3.84Å; Q100-T132 PolarHBondContact OE1-OG1 3.3Å; P130-T132 PolarHBondContact O-N 2.7Å; P130-T132 VanDerWaalsContact O-N 3.08Å; T132-F145 HydrophobicContact CG2-CE1 4.41Å; T132-F145 HydrophobicContact CG2-CE2 4.06Å; T132-F145 HydrophobicContact CG2-CZ 3.57Å; T132-F145 VanDerWaalsContact O-CD2 3.29Å; T132-F145 WeakPolarHBondContact O-CD2 3.31Å; T132-F145 WeakPolarHBondContact O-CE2 3.16Å; T132-F189 HydrophobicContact CG2-CB 4.4Å; T132-F189 HydrophobicContact CG2-CD1 4.43Å; T132-G190 WeakPolarHBondContact CA-O 3.35Å; T132-Y201 HydrophobicContact CG2-CE1 4.35Å; T132-Y201 VanDerWaalsContact OG1-CE1 3.3Å; T132-Y201 WeakPolarHBondContact OG1-CE1 3.26Å; T132-Y201 PolarHBondContact OG1-OH 3.28Å; T132-Y201 VanDerWaalsContact OG1-OH 3.12Å
133	Y	87.5	Confident	85.7	Confident	65 Å²	65	47.9 Å²	47.9	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.5	-175.8	-170.6	-94.3	0	0	0	111.1	D131 F135 F189 G190 W192	D131-Y133 PolarHBondContact O-N 3.27Å; Y133-F135 AromaticContact CD1-CD1 3.9Å; Y133-F135 HydrophobicContact CD1-CD1 3.9Å; Y133-F135 HydrophobicContact CD1-CE1 4.01Å; Y133-F135 HydrophobicContact CD1-CG 4.26Å; Y133-F135 HydrophobicContact CD1-CZ 4.47Å; Y133-F135 HydrophobicContact CE1-CD1 4.4Å; Y133-F189 VanDerWaalsContact O-CA 3.31Å; Y133-F189 WeakPolarHBondContact O-CA 3.47Å; Y133-G190 PolarHBondContact N-O 3.22Å; Y133-G190 PolarHBondContact O-N 3.26Å; Y133-G190 VanDerWaalsContact O-N 3.16Å; Y133-W192 AromaticContact CD1-CE3 3.49Å; Y133-W192 HydrophobicContact CD1-CE3 3.49Å; Y133-W192 VanDerWaalsContact CD1-CE3 3.49Å; Y133-W192 AromaticContact CD1-CZ3 3.86Å; Y133-W192 HydrophobicContact CD1-CZ3 3.86Å; Y133-W192 HydrophobicContact CD2-CE3 4.26Å; Y133-W192 AromaticContact CE1-CE3 3.77Å; Y133-W192 HydrophobicContact CE1-CE3 3.77Å; Y133-W192 AromaticContact CE1-CZ3 3.68Å; Y133-W192 HydrophobicContact CE1-CZ3 3.68Å; Y133-W192 HydrophobicContact CE2-CE3 4.49Å; Y133-W192 HydrophobicContact CG-CB 4.44Å; Y133-W192 HydrophobicContact CG-CD2 4.42Å; Y133-W192 AromaticContact CG-CE3 3.76Å; Y133-W192 HydrophobicContact CG-CE3 3.76Å
134	V	89.4	Confident	84	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	104.4	176.4	-175.6	0	0	0	0	109.5	N136 N137 F145 L167 T169 I187 Q188 F189	V134-N136 PolarHBondContact O-N 3.21Å; V134-N137 HydrophobicContact CB-CB 4.26Å; V134-N137 HydrophobicContact CG1-CB 4.41Å; V134-N137 WeakPolarHBondContact O-CB 3.22Å; V134-N137 PolarHBondContact O-N 3.39Å; V134-N137 VanDerWaalsContact O-N 3.08Å; V134-F145 HydrophobicContact CG2-CE2 3.88Å; V134-L167 HydrophobicContact CG2-CD1 4.04Å; V134-L167 HydrophobicContact CG2-CD2 3.92Å; V134-T169 HydrophobicContact CG1-CG2 3.64Å; V134-I187 HydrophobicContact CG1-CG2 4.07Å; V134-Q188 CarbonylContact C-O 3.56Å; V134-Q188 VanDerWaalsContact CA-O 3.32Å; V134-Q188 WeakPolarHBondContact CA-O 3.25Å; V134-F189 HydrophobicContact CG2-CD1 3.75Å; V134-F189 HydrophobicContact CG2-CE1 3.72Å
135	F	85.8	Confident	82.6	Confident	48 Å²	48	47 Å²	47	21%	0.211	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.1	-168	-70.6	-76.3	0	0	0	114.7	Y133 N137 Q188 S191 W192 R294 D324	Y133-F135 AromaticContact CD1-CD1 3.9Å; Y133-F135 HydrophobicContact CD1-CD1 3.9Å; Y133-F135 HydrophobicContact CD1-CE1 4.01Å; Y133-F135 HydrophobicContact CD1-CG 4.26Å; Y133-F135 HydrophobicContact CD1-CZ 4.47Å; Y133-F135 HydrophobicContact CE1-CD1 4.4Å; F135-N137 VanDerWaalsContact C-N 3.34Å; F135-Q188 PolarHBondContact N-O 3.15Å; F135-S191 WeakPolarHBondContact CZ-O 3.2Å; F135-W192 HydrophobicContact CD1-CE3 4.21Å; F135-W192 HydrophobicContact CD1-CZ3 4.1Å; F135-W192 AromaticContact CE1-CE3 3.59Å; F135-W192 HydrophobicContact CE1-CE3 3.59Å; F135-W192 AromaticContact CE1-CZ3 3.86Å; F135-W192 HydrophobicContact CE1-CZ3 3.86Å; F135-W192 HydrophobicContact CZ-CE3 4.43Å; F135-R294 VanDerWaalsContact CZ-NH2 3.27Å; F135-D324 WeakPolarHBondContact CE2-OD1 3.3Å
136	N	89.5	Confident	81.2	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.123	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	27.5	172.3	69.9	-39.6	0	0	0	112.9	V134 T169 F170 E186 Q188	V134-N136 PolarHBondContact O-N 3.21Å; N136-T169 CarbonylContact O-C 3.59Å; N136-T169 WeakPolarHBondContact O-CA 3.38Å; N136-T169 WeakPolarHBondContact O-CB 3.44Å; N136-F170 PolarHBondContact ND2-O 2.84Å; N136-F170 VanDerWaalsContact ND2-O 3.11Å; N136-F170 PolarHBondContact O-N 2.73Å; N136-E186 PolarHBondContact ND2-O 3.38Å; N136-Q188 PolarHBondContact OD1-N 3.31Å; N136-Q188 VanDerWaalsContact OD1-N 3.09Å
137	N	90	Very high	79.7	Confident	20 Å²	20	48.2 Å²	48.2	11%	0.107	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-58.6	133.1	173.4	178.1	26.3	0	0	0	111.6	V134 F135 D139 S142 K168 F170	V134-N137 HydrophobicContact CB-CB 4.26Å; V134-N137 HydrophobicContact CG1-CB 4.41Å; V134-N137 WeakPolarHBondContact O-CB 3.22Å; V134-N137 PolarHBondContact O-N 3.39Å; V134-N137 VanDerWaalsContact O-N 3.08Å; F135-N137 VanDerWaalsContact C-N 3.34Å; N137-D139 PolarHBondContact ND2-O 3.46Å; N137-D139 VanDerWaalsContact ND2-O 3.12Å; N137-D139 PolarHBondContact OD1-N 2.99Å; N137-S142 PolarHBondContact ND2-O 3.15Å; N137-K168 WeakPolarHBondContact CA-O 3.5Å; N137-K168 PolarHBondContact OD1-O 3.15Å; N137-F170 VanDerWaalsContact O-CE2 3.24Å; N137-F170 WeakPolarHBondContact O-CE2 3.42Å
138	A	90	Very high	78.3	Confident	16 Å²	16	48.6 Å²	48.6	13%	0.132	26%	0.262	C	S	.	.			trans	-107.7	0.6	179.5	0	0	0	0	0	113.7	V91 K168 F170	V91-A138 HydrophobicContact CB-CB 4.42Å; V91-A138 HydrophobicContact CG1-CB 3.89Å; V91-A138 HydrophobicContact CG2-CB 3.72Å; A138-K168 HydrophobicContact CB-CB 4.39Å; A138-K168 PolarHBondContact N-O 2.71Å; A138-F170 HydrophobicContact CB-CD1 3.81Å; A138-F170 HydrophobicContact CB-CD2 3.92Å; A138-F170 HydrophobicContact CB-CE1 3.69Å; A138-F170 HydrophobicContact CB-CE2 3.82Å; A138-F170 HydrophobicContact CB-CG 3.92Å; A138-F170 HydrophobicContact CB-CZ 3.7Å
139	D	83.7	Confident	77.6	Confident	30 Å²	30	53 Å²	53	16%	0.16	29%	0.289	C	S	.	.			trans	-95.6	123.2	172.9	-152.5	-45.2	0	0	0	111.4	N137 T141 K168	N137-D139 PolarHBondContact ND2-O 3.46Å; N137-D139 VanDerWaalsContact ND2-O 3.12Å; N137-D139 PolarHBondContact OD1-N 2.99Å; D139-T141 VanDerWaalsContact C-N 3.33Å; D139-T141 WeakPolarHBondContact OD1-CA 3.5Å; D139-T141 WeakPolarHBondContact OD1-CB 3.3Å; D139-T141 PolarHBondContact OD1-N 2.86Å; D139-T141 PolarHBondContact OD1-OG1 3.44Å; D139-K168 HydrophobicContact CB-CB 4.36Å; D139-K168 HydrophobicContact CB-CD 4.14Å; D139-K168 WeakPolarHBondContact OD2-CD 3.25Å; D139-K168 WeakPolarHBondContact OD2-CE 3.46Å; D139-K168 IonicContact OD2-NZ 2.84Å; D139-K168 PolarHBondContact OD2-NZ 3.06Å
140	H	71.8	Confident	77.6	Confident	183 Å²	183	57.2 Å²	57.2	85%	0.847	30%	0.301	S	S	*	.	S	Bend	trans	-81.1	-11.4	174.7	-58.8	-55.2	0	0	0	113.5
141	T	68.8	Low	77.7	Confident	126 Å²	126	57 Å²	57	77%	0.773	30%	0.299	S	S	*	.	S	Bend	trans	-97.9	-11.5	-174.2	69.2	0	0	0	0	114	D139	D139-T141 VanDerWaalsContact C-N 3.33Å; D139-T141 WeakPolarHBondContact OD1-CA 3.5Å; D139-T141 WeakPolarHBondContact OD1-CB 3.3Å; D139-T141 PolarHBondContact OD1-N 2.86Å; D139-T141 PolarHBondContact OD1-OG1 3.44Å
142	S	67.7	Low	78	Confident	51 Å²	51	57.7 Å²	57.7	36%	0.357	30%	0.303	S	S	.	.			trans	-147.7	147.8	-176.8	177.3	0	0	0	0	110.4	N137 G144	N137-S142 PolarHBondContact ND2-O 3.15Å; S142-G144 PolarHBondContact O-N 2.62Å; S142-G144 PolarHBondContact OG-N 2.8Å; S142-G144 VanDerWaalsContact OG-N 3.1Å
143	S	62.2	Low	78.4	Confident	57 Å²	57	57.1 Å²	57.1	40%	0.399	30%	0.3	S	S	.	.			trans	-71.8	2.7	168.7	55	0	0	0	0	113.7	F145	S143-F145 PolarHBondContact O-N 3.42Å
144	G	56.1	Low	78.9	Confident	4 Å²	4	57.1 Å²	57.1	4%	0.041	30%	0.302	C	S	.	.	S	Bend	trans	85.6	-25.2	-172	0	0	0	0	0	113.3	S142 L167	S142-G144 PolarHBondContact O-N 2.62Å; S142-G144 PolarHBondContact OG-N 2.8Å; S142-G144 VanDerWaalsContact OG-N 3.1Å; G144-L167 WeakPolarHBondContact O-CD2 3.28Å
145	F	62.9	Low	79.2	Confident	28 Å²	28	58 Å²	58	12%	0.123	31%	0.308	C	S	.	.			trans	-88.8	119.4	176.8	-74.3	-92.1	0	0	0	111.2	L98 T132 V134 S143 I163 V165 F189	L98-F145 HydrophobicContact CD1-CD1 4.43Å; L98-F145 HydrophobicContact CD1-CE1 3.44Å; L98-F145 VanDerWaalsContact CD1-CE1 3.44Å; L98-F145 HydrophobicContact CD1-CZ 3.64Å; T132-F145 HydrophobicContact CG2-CE1 4.41Å; T132-F145 HydrophobicContact CG2-CE2 4.06Å; T132-F145 HydrophobicContact CG2-CZ 3.57Å; T132-F145 VanDerWaalsContact O-CD2 3.29Å; T132-F145 WeakPolarHBondContact O-CD2 3.31Å; T132-F145 WeakPolarHBondContact O-CE2 3.16Å; V134-F145 HydrophobicContact CG2-CE2 3.88Å; S143-F145 PolarHBondContact O-N 3.42Å; F145-I163 HydrophobicContact CD1-CD1 4.11Å; F145-V165 HydrophobicContact CD1-CG1 3.97Å; F145-V165 HydrophobicContact CE1-CG1 4.44Å; F145-F189 HydrophobicContact CZ-CD1 4.21Å; F145-F189 HydrophobicContact CZ-CE1 4.33Å
146	L	58.2	Low	79.6	Confident	108 Å²	108	58.2 Å²	58.2	57%	0.565	32%	0.316	S	S	*	.			trans	-64.8	139.7	159.8	-80.7	163.4	0	0	0	108.7	G148 I163 P164	L146-G148 VanDerWaalsContact C-N 3.34Å; L146-G148 PolarHBondContact O-N 3.22Å; L146-I163 HydrophobicContact CB-CG2 4.28Å; L146-P164 WeakPolarHBondContact CD1-O 3.37Å
147	E	61.7	Low	79.8	Confident	137 Å²	137	57.1 Å²	57.1	64%	0.64	31%	0.31	S	S	*	.			trans	-65.2	92.5	174.1	-65.4	-170.5	140.2	0	0	109.7	K125 V149	K125-E147 WeakPolarHBondContact CE-OE1 3.44Å; K125-E147 WeakPolarHBondContact CE-OE2 3.24Å; K125-E147 IonicContact NZ-OE1 2.82Å; K125-E147 PolarHBondContact NZ-OE1 3.28Å; K125-E147 IonicContact NZ-OE2 3.75Å; K125-E147 PolarHBondContact NZ-OE2 3.38Å; E147-V149 PolarHBondContact O-N 3.37Å
148	G	64.7	Low	80.1	Confident	12 Å²	12	60.8 Å²	60.8	12%	0.124	32%	0.322	C	S	.	.			trans	-61.5	103.1	179.1	0	0	0	0	0	110.4	A124 L146 Y150 W161	A124-G148 WeakPolarHBondContact CB-O 3.2Å; L146-G148 VanDerWaalsContact C-N 3.34Å; L146-G148 PolarHBondContact O-N 3.22Å; G148-Y150 PolarHBondContact O-N 2.82Å; G148-W161 PolarHBondContact O-NE1 3.38Å
149	V	79.5	Confident	80.4	Confident	102 Å²	102	60 Å²	60	62%	0.618	32%	0.316	S	S	*	.	S	Bend	trans	-55.2	-35	-161.4	-169.7	0	0	0	0	113.6	P123 A124 E147	P123-V149 VanDerWaalsContact CA-O 3.28Å; P123-V149 WeakPolarHBondContact CA-O 3.42Å; A124-V149 PolarHBondContact N-O 3.26Å; E147-V149 PolarHBondContact O-N 3.37Å
150	Y	91.6	Very high	80.9	Confident	135 Å²	135	59 Å²	59	53%	0.529	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.9	-178.7	-59.9	-86.7	0	0	0	112.2	I122 P123 G148	I122-Y150 CarbonylContact O-C 3.49Å; I122-Y150 VanDerWaalsContact O-CA 3.29Å; I122-Y150 WeakPolarHBondContact O-CA 3.35Å; P123-Y150 HydrophobicContact CG-CD1 4.16Å; P123-Y150 HydrophobicContact CG-CE1 3.88Å; G148-Y150 PolarHBondContact O-N 2.82Å
151	V	94.1	Very high	81.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	158.4	161	-64.7	0	0	0	0	111	W102 R121 I122 A124 V127 V153 I159 W161	W102-V151 HydrophobicContact CH2-CG1 4.17Å; R121-V151 WeakPolarHBondContact CA-O 3.1Å; I122-V151 HydrophobicContact CB-CG2 3.98Å; I122-V151 PolarHBondContact N-O 2.82Å; I122-V151 WeakPolarHBondContact O-CG2 3.43Å; I122-V151 PolarHBondContact O-N 3.32Å; A124-V151 HydrophobicContact CB-CG1 4.1Å; V127-V151 HydrophobicContact CG1-CG2 4.22Å; V127-V151 HydrophobicContact CG2-CG1 3.99Å; V127-V151 HydrophobicContact CG2-CG2 3.78Å; V151-V153 HydrophobicContact CG2-CG2 3.83Å; V151-I159 HydrophobicContact CB-CG2 3.68Å; V151-I159 HydrophobicContact CG1-CG2 3.99Å; V151-I159 HydrophobicContact CG2-CG2 4.12Å; V151-W161 HydrophobicContact CG1-CB 4.03Å; V151-W161 HydrophobicContact CG1-CD2 4.29Å; V151-W161 HydrophobicContact CG1-CG 3.73Å
152	L	95.1	Very high	83	Confident	54 Å²	54	47.4 Å²	47.4	28%	0.283	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.7	167.4	-68.8	166.9	0	0	0	108.8	R121 I159 S160 P162	R121-L152 HydrophobicContact CG-CD2 3.65Å; L152-I159 CarbonylContact O-C 3.55Å; L152-I159 WeakPolarHBondContact O-CA 3.45Å; L152-S160 PolarHBondContact N-O 3.39Å; L152-S160 PolarHBondContact O-N 3.48Å; L152-P162 HydrophobicContact CD1-CG 4.37Å
153	V	96.4	Very high	84	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.5	174.6	-171.5	0	0	0	0	108.8	L107 W109 T119 L120 I122 V151 I159	L107-V153 HydrophobicContact CB-CG1 4.03Å; W109-V153 HydrophobicContact CH2-CB 4.47Å; W109-V153 HydrophobicContact CH2-CG1 4.21Å; W109-V153 HydrophobicContact CZ3-CB 4.43Å; W109-V153 HydrophobicContact CZ3-CG1 3.75Å; T119-V153 CarbonylContact C-O 3.6Å; T119-V153 WeakPolarHBondContact CA-O 3.19Å; L120-V153 PolarHBondContact N-O 3.34Å; L120-V153 PolarHBondContact O-N 2.82Å; I122-V153 HydrophobicContact CD1-CB 4.33Å; I122-V153 HydrophobicContact CD1-CG2 3.65Å; I122-V153 HydrophobicContact CG1-CG2 4.06Å; V151-V153 HydrophobicContact CG2-CG2 3.83Å; V153-I159 HydrophobicContact CG1-CG1 4.23Å; V153-I159 HydrophobicContact CG2-CD1 4.12Å; V153-I159 HydrophobicContact CG2-CG1 4.13Å; V153-I159 HydrophobicContact CG2-CG2 4.38Å
154	H	96.6	Very high	85.3	Confident	65 Å²	65	45.6 Å²	45.6	30%	0.301	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	152.4	172.8	-67.9	-104.4	0	0	0	111.2	R118 T119 S156 G157 R158	R118-H154 CarbonylContact O-C 3.53Å; R118-H154 WeakPolarHBondContact O-CA 3.46Å; T119-H154 WeakPolarHBondContact CG2-ND1 3.4Å; H154-S156 PolarHBondContact O-N 2.91Å; H154-G157 PolarHBondContact O-N 3.01Å; H154-R158 HydrophobicContact CB-CB 4.39Å; H154-R158 WeakPolarHBondContact CB-O 3.35Å; H154-R158 PolarHBondContact CD2-O 3.48Å; H154-R158 PolarHBondContact N-O 3.5Å
155	S	95.8	Very high	86.8	Confident	19 Å²	19	45.5 Å²	45.5	13%	0.133	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-40.6	174.3	52.2	0	0	0	0	114.3	W109 E111 R118 G157	W109-S155 PolarHBondContact N-O 3.3Å; W109-S155 VanDerWaalsContact N-O 3.15Å; E111-S155 WeakPolarHBondContact OE1-CB 3.28Å; E111-S155 PolarHBondContact OE1-OG 3.31Å; R118-S155 PolarHBondContact O-N 3.4Å; S155-G157 PolarHBondContact O-N 3.42Å; S155-G157 VanDerWaalsContact O-N 3.16Å
156	S	95.2	Very high	88.1	Confident	53 Å²	53	49.2 Å²	49.2	37%	0.371	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.5	175.2	61.8	0	0	0	0	116.8	K108 H154 R158	K108-S156 VanDerWaalsContact CE-O 3.31Å; K108-S156 WeakPolarHBondContact CE-O 3.46Å; H154-S156 PolarHBondContact O-N 2.91Å; S156-R158 VanDerWaalsContact C-N 3.3Å
157	G	94	Very high	89.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	83.8	-3.1	-173.3	0	0	0	0	0	114.5	D104 L107 H154 S155 I159	D104-G157 PolarHBondContact N-O 3.21Å; L107-G157 WeakPolarHBondContact O-CA 3.07Å; H154-G157 PolarHBondContact O-N 3.01Å; S155-G157 PolarHBondContact O-N 3.42Å; S155-G157 VanDerWaalsContact O-N 3.16Å; G157-I159 PolarHBondContact O-N 3Å
158	R	96.5	Very high	91.2	Very high	97 Å²	97	41 Å²	41	37%	0.366	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.4	174.1	-171.8	174.9	-55.6	105.7	17.4	110.7	I101 E103 H154 S156	I101-R158 HydrophobicContact CG2-CG 3.82Å; E103-R158 HydrophobicContact CG-CB 4.16Å; E103-R158 HydrophobicContact CG-CG 4.16Å; E103-R158 IonicContact OE1-CZ 3.44Å; E103-R158 IonicContact OE1-NE 3.78Å; E103-R158 PolarHBondContact OE1-NE 3.3Å; E103-R158 IonicContact OE1-NH2 2.68Å; E103-R158 PolarHBondContact OE1-NH2 3.34Å; H154-R158 HydrophobicContact CB-CB 4.39Å; H154-R158 WeakPolarHBondContact CB-O 3.35Å; H154-R158 PolarHBondContact CD2-O 3.48Å; H154-R158 PolarHBondContact N-O 3.5Å; S156-R158 VanDerWaalsContact C-N 3.3Å
159	I	96.1	Very high	92.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.3	175.9	-51.3	-168.5	0	0	0	108.6	I101 W102 D104 L107 V151 L152 V153 G157	I101-I159 VanDerWaalsContact CA-O 3.28Å; I101-I159 WeakPolarHBondContact CA-O 3.31Å; W102-I159 HydrophobicContact CD2-CB 4.14Å; W102-I159 HydrophobicContact CH2-CB 4.44Å; W102-I159 HydrophobicContact CH2-CG2 3.79Å; W102-I159 HydrophobicContact CZ2-CB 4.01Å; W102-I159 HydrophobicContact CZ2-CD1 4.12Å; W102-I159 HydrophobicContact CZ2-CG2 3.62Å; W102-I159 HydrophobicContact CZ3-CG2 4.3Å; W102-I159 PolarHBondContact N-O 2.97Å; W102-I159 VanDerWaalsContact N-O 3.15Å; W102-I159 PolarHBondContact O-N 2.91Å; D104-I159 HydrophobicContact CB-CD1 3.74Å; D104-I159 HydrophobicContact CB-CG1 4.19Å; L107-I159 HydrophobicContact CD1-CD1 3.95Å; V151-I159 HydrophobicContact CB-CG2 3.68Å; V151-I159 HydrophobicContact CG1-CG2 3.99Å; V151-I159 HydrophobicContact CG2-CG2 4.12Å; L152-I159 CarbonylContact O-C 3.55Å; L152-I159 WeakPolarHBondContact O-CA 3.45Å; V153-I159 HydrophobicContact CG1-CG1 4.23Å; V153-I159 HydrophobicContact CG2-CD1 4.12Å; V153-I159 HydrophobicContact CG2-CG1 4.13Å; V153-I159 HydrophobicContact CG2-CG2 4.38Å; G157-I159 PolarHBondContact O-N 3Å
160	S	94.5	Very high	93.2	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.9	165	167.3	0	0	0	0	109.4	E99 Q100 L152 P162	E99-S160 WeakPolarHBondContact CG-OG 3.47Å; E99-S160 PolarHBondContact OE1-OG 2.89Å; Q100-S160 CarbonylContact O-C 3.59Å; Q100-S160 WeakPolarHBondContact O-CA 3.2Å; L152-S160 PolarHBondContact N-O 3.39Å; L152-S160 PolarHBondContact O-N 3.48Å; S160-P162 WeakPolarHBondContact O-CD 3.27Å
161	W	93	Very high	93.3	Very high	26 Å²	26	34.4 Å²	34.4	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	88	176.2	-164.4	26.3	0	0	0	109.8	Q100 W102 A124 T129 G148 V151 I163	Q100-W161 HydrophobicContact CB-CB 4.45Å; Q100-W161 PolarHBondContact N-O 3.05Å; Q100-W161 VanDerWaalsContact N-O 3.09Å; Q100-W161 PolarHBondContact O-N 3.04Å; W102-W161 HydrophobicContact CH2-CB 3.82Å; W102-W161 HydrophobicContact CH2-CD2 4.33Å; W102-W161 HydrophobicContact CH2-CE3 4.04Å; W102-W161 HydrophobicContact CH2-CG 4.33Å; W102-W161 HydrophobicContact CZ3-CB 3.67Å; W102-W161 HydrophobicContact CZ3-CE3 4.19Å; A124-W161 HydrophobicContact CB-CZ2 3.82Å; T129-W161 HydrophobicContact CG2-CE3 4.23Å; T129-W161 HydrophobicContact CG2-CH2 4.04Å; T129-W161 HydrophobicContact CG2-CZ2 4.35Å; T129-W161 HydrophobicContact CG2-CZ3 3.98Å; G148-W161 PolarHBondContact O-NE1 3.38Å; V151-W161 HydrophobicContact CG1-CB 4.03Å; V151-W161 HydrophobicContact CG1-CD2 4.29Å; V151-W161 HydrophobicContact CG1-CG 3.73Å; W161-I163 HydrophobicContact CD2-CD1 3.69Å; W161-I163 HydrophobicContact CD2-CG1 4.16Å; W161-I163 HydrophobicContact CE3-CD1 3.95Å; W161-I163 HydrophobicContact CG-CD1 4.21Å; W161-I163 HydrophobicContact CG-CG1 4.17Å; W161-I163 HydrophobicContact CH2-CD1 4.13Å; W161-I163 HydrophobicContact CZ2-CD1 3.89Å; W161-I163 HydrophobicContact CZ3-CD1 4.16Å
162	P	90.7	Very high	93.2	Very high	40 Å²	40	42 Å²	42	26%	0.26	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.5	175.7	29.7	-31.1	0	0	0	111.2	F97 L98 E99 L152 S160	F97-P162 HydrophobicContact CE1-CB 3.83Å; F97-P162 HydrophobicContact CE2-CB 4.4Å; F97-P162 HydrophobicContact CZ-CB 3.5Å; L98-P162 WeakPolarHBondContact O-CA 3.3Å; E99-P162 HydrophobicContact CG-CB 4.44Å; L152-P162 HydrophobicContact CD1-CG 4.37Å; S160-P162 WeakPolarHBondContact O-CD 3.27Å
163	I	89	Confident	93	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122	-179.6	-44.7	166.7	0	0	0	110	L98 F145 L146 W161 V165	L98-I163 PolarHBondContact N-O 3.49Å; L98-I163 PolarHBondContact O-N 2.94Å; F145-I163 HydrophobicContact CD1-CD1 4.11Å; L146-I163 HydrophobicContact CB-CG2 4.28Å; W161-I163 HydrophobicContact CD2-CD1 3.69Å; W161-I163 HydrophobicContact CD2-CG1 4.16Å; W161-I163 HydrophobicContact CE3-CD1 3.95Å; W161-I163 HydrophobicContact CG-CD1 4.21Å; W161-I163 HydrophobicContact CG-CG1 4.17Å; W161-I163 HydrophobicContact CH2-CD1 4.13Å; W161-I163 HydrophobicContact CZ2-CD1 3.89Å; W161-I163 HydrophobicContact CZ3-CD1 4.16Å; I163-V165 HydrophobicContact CB-CG1 4.25Å; I163-V165 HydrophobicContact CG2-CG1 3.73Å
164	P	89.2	Confident	92.7	Very high	69 Å²	69	42.6 Å²	42.6	45%	0.448	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.5	159.9	31.2	-30.9	0	0	0	109.1	L96 L146	L96-P164 CarbonylContact O-C 3.52Å; L96-P164 WeakPolarHBondContact O-CA 3.49Å; L146-P164 WeakPolarHBondContact CD1-O 3.37Å
165	V	88.3	Confident	92.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.2	179.8	-63.4	0	0	0	0	111.2	I95 L96 L98 F145 I163 L167	I95-V165 WeakPolarHBondContact CA-O 3.4Å; L96-V165 HydrophobicContact CB-CG2 3.92Å; L96-V165 PolarHBondContact N-O 3.19Å; L96-V165 PolarHBondContact O-N 3.33Å; L98-V165 HydrophobicContact CD1-CG1 4.33Å; L98-V165 HydrophobicContact CD1-CG2 3.56Å; L98-V165 HydrophobicContact CG-CG2 3.86Å; F145-V165 HydrophobicContact CD1-CG1 3.97Å; F145-V165 HydrophobicContact CE1-CG1 4.44Å; I163-V165 HydrophobicContact CB-CG1 4.25Å; I163-V165 HydrophobicContact CG2-CG1 3.73Å; V165-L167 HydrophobicContact CB-CD2 4.22Å; V165-L167 HydrophobicContact CB-CG 4.49Å; V165-L167 HydrophobicContact CG2-CD1 4.34Å; V165-L167 HydrophobicContact CG2-CD2 4.04Å; V165-L167 HydrophobicContact CG2-CG 3.92Å
166	Q	89.7	Confident	92.1	Very high	106 Å²	106	41.1 Å²	41.1	50%	0.495	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.8	166.7	-177.9	179.3	-1.7	0	0	108	T93	T93-Q166 HydrophobicContact CG2-CG 4.11Å
167	L	91.3	Very high	91.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139	178.7	-57.7	-177.3	0	0	0	110.4	T93 T94 L96 V134 G144 V165 I187 F189	T93-L167 WeakPolarHBondContact CA-O 3.41Å; T94-L167 PolarHBondContact N-O 2.78Å; T94-L167 PolarHBondContact O-N 3.09Å; L96-L167 HydrophobicContact CD1-CD1 3.64Å; L96-L167 HydrophobicContact CG-CD1 4.44Å; V134-L167 HydrophobicContact CG2-CD1 4.04Å; V134-L167 HydrophobicContact CG2-CD2 3.92Å; G144-L167 WeakPolarHBondContact O-CD2 3.28Å; V165-L167 HydrophobicContact CB-CD2 4.22Å; V165-L167 HydrophobicContact CB-CG 4.49Å; V165-L167 HydrophobicContact CG2-CD1 4.34Å; V165-L167 HydrophobicContact CG2-CD2 4.04Å; V165-L167 HydrophobicContact CG2-CG 3.92Å; L167-I187 HydrophobicContact CD1-CG2 3.75Å; L167-F189 HydrophobicContact CD1-CE1 3.75Å; L167-F189 HydrophobicContact CD1-CZ 3.72Å
168	K	93.2	Very high	91.3	Very high	72 Å²	72	42.6 Å²	42.6	31%	0.313	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.9	162.4	-66.1	-178.9	-166.3	157.3	0	107.3	V91 L92 T93 N137 A138 D139	V91-K168 HydrophobicContact CG1-CB 3.76Å; V91-K168 HydrophobicContact CG1-CG 4.29Å; L92-K168 CarbonylContact O-C 3.5Å; L92-K168 VanDerWaalsContact O-CA 3.28Å; L92-K168 WeakPolarHBondContact O-CA 3.26Å; T93-K168 HydrophobicContact CG2-CG 4.36Å; N137-K168 WeakPolarHBondContact CA-O 3.5Å; N137-K168 PolarHBondContact OD1-O 3.15Å; A138-K168 HydrophobicContact CB-CB 4.39Å; A138-K168 PolarHBondContact N-O 2.71Å; D139-K168 HydrophobicContact CB-CB 4.36Å; D139-K168 HydrophobicContact CB-CD 4.14Å; D139-K168 WeakPolarHBondContact OD2-CD 3.25Å; D139-K168 WeakPolarHBondContact OD2-CE 3.46Å; D139-K168 IonicContact OD2-NZ 2.84Å; D139-K168 PolarHBondContact OD2-NZ 3.06Å
169	T	93.8	Very high	90.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.4	178.6	59.9	0	0	0	0	112.9	V91 L92 V134 N136 C171 I187	V91-T169 CarbonylContact C-O 3.6Å; V91-T169 WeakPolarHBondContact CA-O 3.19Å; L92-T169 PolarHBondContact N-O 3.3Å; L92-T169 PolarHBondContact O-N 3.22Å; V134-T169 HydrophobicContact CG1-CG2 3.64Å; N136-T169 CarbonylContact O-C 3.59Å; N136-T169 WeakPolarHBondContact O-CA 3.38Å; N136-T169 WeakPolarHBondContact O-CB 3.44Å; T169-C171 PolarHBondContact O-N 3.24Å; T169-I187 HydrophobicContact CG2-CB 4.48Å; T169-I187 HydrophobicContact CG2-CG1 4.15Å; T169-I187 HydrophobicContact CG2-CG2 4.08Å
170	F	93.4	Very high	90.4	Very high	106 Å²	106	43.3 Å²	43.3	47%	0.465	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125	171.8	-68.4	-66	0	0	0	110.3	Q90 V91 N136 N137 A138	Q90-F170 WeakPolarHBondContact O-CA 3.32Å; V91-F170 HydrophobicContact CG2-CD1 4.48Å; N136-F170 PolarHBondContact ND2-O 2.84Å; N136-F170 VanDerWaalsContact ND2-O 3.11Å; N136-F170 PolarHBondContact O-N 2.73Å; N137-F170 VanDerWaalsContact O-CE2 3.24Å; N137-F170 WeakPolarHBondContact O-CE2 3.42Å; A138-F170 HydrophobicContact CB-CD1 3.81Å; A138-F170 HydrophobicContact CB-CD2 3.92Å; A138-F170 HydrophobicContact CB-CE1 3.69Å; A138-F170 HydrophobicContact CB-CE2 3.82Å; A138-F170 HydrophobicContact CB-CG 3.92Å; A138-F170 HydrophobicContact CB-CZ 3.7Å
171	C	94	Very high	90.1	Very high	5 Å²	5	43 Å²	43	3%	0.034	21%	0.214	C	C	.	.			trans	-130.9	118.6	174.7	175.7	0	0	0	0	109.9	L85 Q90 L92 T169 V173 C185	L85-C171 HydrophobicContact CD1-CB 4.16Å; Q90-C171 WeakPolarHBondContact CB-O 3.49Å; Q90-C171 PolarHBondContact O-N 3.04Å; L92-C171 HydrophobicContact CB-CB 4.24Å; T169-C171 PolarHBondContact O-N 3.24Å; C171-V173 WeakPolarHBondContact O-CG2 3.41Å; C171-V173 PolarHBondContact O-N 3.41Å; C171-C185 HydrophobicContact CB-CB 3.69Å; C171-C185 WeakPolarHBondContact CB-SG 3.39Å; C171-C185 WeakPolarHBondContact SG-CA 3.41Å; C171-C185 WeakPolarHBondContact SG-CB 3.4Å; C171-C185 CovalentContact SG-SG 2.04Å; C171-C185 PolarHBondContact SG-SG 3.1Å
172	Q	91.4	Very high	90.1	Very high	160 Å²	160	45.5 Å²	45.5	75%	0.748	23%	0.227	S	C	*	.			trans	-73.6	95.4	178.7	-67.2	-172.7	8.8	0	0	110.6
173	V	91.4	Very high	90.3	Very high	9 Å²	9	44 Å²	44	6%	0.055	22%	0.216	C	C	.	.			trans	-69.8	126.9	-178.3	-173	0	0	0	0	111.1	L85 E87 C171 I175 Q183	L85-V173 HydrophobicContact CD1-CG2 4.05Å; L85-V173 HydrophobicContact CD2-CG2 3.97Å; L85-V173 HydrophobicContact CG-CG2 4.18Å; E87-V173 HydrophobicContact CB-CG1 4.22Å; E87-V173 HydrophobicContact CG-CG1 4.04Å; C171-V173 WeakPolarHBondContact O-CG2 3.41Å; C171-V173 PolarHBondContact O-N 3.41Å; V173-I175 HydrophobicContact CG1-CG2 3.94Å; V173-Q183 HydrophobicContact CG1-CG 4.36Å
174	D	90.4	Very high	90.4	Very high	57 Å²	57	47.4 Å²	47.4	31%	0.305	24%	0.235	S	C	.	.			trans	-91.5	117.2	166.6	-174.6	13.5	0	0	0	111.2	T176 Q183 N394	D174-T176 VanDerWaalsContact CG-OG1 3.25Å; D174-T176 VanDerWaalsContact OD1-CG2 3.32Å; D174-T176 WeakPolarHBondContact OD1-CG2 3.25Å; D174-T176 PolarHBondContact OD1-N 3.48Å; D174-T176 PolarHBondContact OD1-OG1 3.05Å; D174-T176 PolarHBondContact OD2-OG1 2.92Å; D174-Q183 PolarHBondContact O-NE2 2.04Å; D174-N394 PolarHBondContact OD1-ND2 3.25Å
175	I	89.5	Confident	90.7	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	21%	0.213	C	C	.	.			trans	-99.8	3.2	-179	62.9	176.5	0	0	0	114.2	V173 L177 F178 V388 P389 P396	V173-I175 HydrophobicContact CG1-CG2 3.94Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.08Å; I175-F178 HydrophobicContact CB-CB 4.44Å; I175-F178 VanDerWaalsContact O-CB 3.29Å; I175-F178 WeakPolarHBondContact O-CB 3.39Å; I175-F178 PolarHBondContact O-N 3.09Å; I175-F178 VanDerWaalsContact O-N 3.12Å; I175-V388 HydrophobicContact CD1-CB 3.96Å; I175-V388 HydrophobicContact CD1-CG1 4.25Å; I175-P389 HydrophobicContact CD1-CG 4.28Å; I175-P389 HydrophobicContact CG2-CG 4.13Å; I175-P396 HydrophobicContact CB-CB 4.27Å; I175-P396 HydrophobicContact CD1-CB 4.2Å; I175-P396 HydrophobicContact CD1-CG 4.06Å; I175-P396 HydrophobicContact CG1-CB 4.18Å; I175-P396 WeakPolarHBondContact O-CA 3.31Å; I175-P396 WeakPolarHBondContact O-CB 3.37Å
176	T	88.6	Confident	90.9	Very high	50 Å²	50	46 Å²	46	31%	0.307	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-57	179.7	44.6	0	0	0	0	112.8	D174 N394 L397	D174-T176 VanDerWaalsContact CG-OG1 3.25Å; D174-T176 VanDerWaalsContact OD1-CG2 3.32Å; D174-T176 WeakPolarHBondContact OD1-CG2 3.25Å; D174-T176 PolarHBondContact OD1-N 3.48Å; D174-T176 PolarHBondContact OD1-OG1 3.05Å; D174-T176 PolarHBondContact OD2-OG1 2.92Å; T176-N394 HydrophobicContact CG2-CB 3.81Å; T176-L397 WeakPolarHBondContact O-CB 3.43Å; T176-L397 PolarHBondContact O-N 3.45Å
177	L	86.8	Confident	91	Very high	68 Å²	68	41 Å²	41	36%	0.356	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	11.3	-173.9	-65.6	174.5	0	0	0	114.1	I175 F180 P666	I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.08Å; L177-F180 WeakPolarHBondContact O-CA 3.49Å; L177-F180 PolarHBondContact O-N 2.98Å; L177-P666 HydrophobicContact CD2-CB 4.3Å
178	F	86.2	Confident	90.9	Very high	15 Å²	15	43.5 Å²	43.5	7%	0.066	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	130.8	-177.2	179.5	-82.7	0	0	0	111.9	I175 D181 Y338 P396 I398	I175-F178 HydrophobicContact CB-CB 4.44Å; I175-F178 VanDerWaalsContact O-CB 3.29Å; I175-F178 WeakPolarHBondContact O-CB 3.39Å; I175-F178 PolarHBondContact O-N 3.09Å; I175-F178 VanDerWaalsContact O-N 3.12Å; F178-D181 WeakPolarHBondContact CA-OD1 3.36Å; F178-Y338 HydrophobicContact CE1-CD1 4.29Å; F178-Y338 HydrophobicContact CE2-CE1 4.19Å; F178-Y338 AromaticContact CZ-CD1 3.7Å; F178-Y338 HydrophobicContact CZ-CD1 3.7Å; F178-Y338 AromaticContact CZ-CE1 3.64Å; F178-Y338 HydrophobicContact CZ-CE1 3.64Å; F178-P396 HydrophobicContact CB-CB 4.48Å; F178-I398 HydrophobicContact CD1-CG2 3.78Å; F178-I398 HydrophobicContact CE1-CG2 4.31Å
179	P	86.5	Confident	90.7	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.045	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99	22.9	11.9	40.1	-37.7	0	0	0	115	D181 R333 S335 Y338	P179-D181 VanDerWaalsContact C-OD1 3.28Å; P179-D181 WeakPolarHBondContact CA-OD1 3.42Å; P179-R333 WeakPolarHBondContact O-CD 3.47Å; P179-S335 WeakPolarHBondContact O-CB 3.48Å; P179-S335 PolarHBondContact O-OG 2.94Å; P179-Y338 HydrophobicContact CB-CD1 4.48Å; P179-Y338 HydrophobicContact CB-CD2 4.24Å; P179-Y338 HydrophobicContact CB-CG 3.89Å
180	F	86.6	Confident	90.4	Very high	105 Å²	105	40.1 Å²	40.1	46%	0.461	20%	0.196	S	C	.	.	S	Bend	trans	-100.4	15.3	176.5	-58.6	-77.6	0	0	0	112.6	L177 Q332 S335 I339	L177-F180 WeakPolarHBondContact O-CA 3.49Å; L177-F180 PolarHBondContact O-N 2.98Å; F180-Q332 PolarHBondContact O-NE2 3.5Å; F180-S335 WeakPolarHBondContact CD1-OG 3.44Å; F180-I339 HydrophobicContact CE1-CD1 3.88Å; F180-I339 HydrophobicContact CZ-CD1 3.9Å; F180-I339 HydrophobicContact CZ-CG1 4.13Å
181	D	90	Very high	90.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.011	17%	0.174	C	C	.	.			trans	-65.8	154.7	-172.6	53.9	-65.5	0	0	0	114.5	F178 P179 Q183 Q332 R333	F178-D181 WeakPolarHBondContact CA-OD1 3.36Å; P179-D181 VanDerWaalsContact C-OD1 3.28Å; P179-D181 WeakPolarHBondContact CA-OD1 3.42Å; D181-Q183 PolarHBondContact OD2-NE2 3.25Å; D181-Q332 PolarHBondContact O-NE2 2.87Å; D181-R333 PolarHBondContact O-N 3.31Å; D181-R333 IonicContact OD1-CZ 2.66Å; D181-R333 IonicContact OD1-NE 3.07Å; D181-R333 PolarHBondContact OD1-NE 3.23Å; D181-R333 IonicContact OD1-NH2 3Å; D181-R333 IonicContact OD2-CZ 3.81Å; D181-R333 IonicContact OD2-NE 3.76Å; D181-R333 PolarHBondContact OD2-NE 2.86Å; D181-R333 IonicContact OD2-NH2 2.9Å; D181-R333 PolarHBondContact OD2-NH2 3.11Å
182	Q	92	Very high	89.5	Confident	78 Å²	78	41.2 Å²	41.2	36%	0.364	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.7	176.3	-66.9	178.3	62.8	0	0	107.9	L331 Q332	Q182-L331 CarbonylContact C-O 3.58Å; Q182-L331 VanDerWaalsContact CA-O 3.27Å; Q182-L331 WeakPolarHBondContact CA-O 3.32Å; Q182-Q332 VanDerWaalsContact CG-OE1 3.23Å
183	Q	94	Very high	89	Confident	7 Å²	7	38.3 Å²	38.3	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137	-176	-50.7	-57	-22.9	0	0	109.9	L85 V173 D174 D181 W282 L331	L85-Q183 HydrophobicContact CD2-CB 4.2Å; L85-Q183 HydrophobicContact CD2-CG 3.85Å; V173-Q183 HydrophobicContact CG1-CG 4.36Å; D174-Q183 PolarHBondContact O-NE2 2.04Å; D181-Q183 PolarHBondContact OD2-NE2 3.25Å; Q183-W282 HydrophobicContact CB-CZ3 4.44Å; Q183-W282 HydrophobicContact CG-CH2 3.48Å; Q183-W282 VanDerWaalsContact CG-CH2 3.48Å; Q183-W282 HydrophobicContact CG-CZ2 4.49Å; Q183-W282 HydrophobicContact CG-CZ3 3.66Å; Q183-L331 HydrophobicContact CB-CB 4.35Å; Q183-L331 PolarHBondContact N-O 3.37Å; Q183-L331 PolarHBondContact O-N 3.34Å
184	N	92.7	Very high	88.5	Confident	73 Å²	73	40.3 Å²	40.3	39%	0.39	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	101.1	170.1	175.6	35.8	0	0	0	107.7	F330	N184-F330 HydrophobicContact CB-CD1 4.34Å; N184-F330 HydrophobicContact CB-CE1 4.23Å
185	C	95.1	Very high	88	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.2	-180	-63.7	0	0	0	0	110.6	L92 C171 L329	L92-C185 HydrophobicContact CD2-CB 3.68Å; C171-C185 HydrophobicContact CB-CB 3.69Å; C171-C185 WeakPolarHBondContact CB-SG 3.39Å; C171-C185 WeakPolarHBondContact SG-CA 3.41Å; C171-C185 WeakPolarHBondContact SG-CB 3.4Å; C171-C185 CovalentContact SG-SG 2.04Å; C171-C185 PolarHBondContact SG-SG 3.1Å; C185-L329 PolarHBondContact N-O 2.96Å; C185-L329 PolarHBondContact O-N 3.47Å
186	E	92.4	Very high	87.5	Confident	42 Å²	42	40.5 Å²	40.5	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.8	179.5	-54.2	-165.3	175.5	0	0	111.1	N136 Q188 V326 L327 K328	N136-E186 PolarHBondContact ND2-O 3.38Å; E186-Q188 HydrophobicContact CB-CG 4.46Å; E186-Q188 PolarHBondContact OE2-NE2 2.73Å; E186-V326 HydrophobicContact CB-CG1 4Å; E186-V326 HydrophobicContact CG-CG1 4.38Å; E186-V326 WeakPolarHBondContact OE2-CG1 3.2Å; E186-L327 CarbonylContact C-O 3.57Å; E186-L327 WeakPolarHBondContact CA-O 3.4Å; E186-K328 VanDerWaalsContact CD-NZ 3.34Å; E186-K328 HydrophobicContact CG-CD 4.32Å; E186-K328 HydrophobicContact CG-CG 4.03Å; E186-K328 WeakPolarHBondContact OE1-CD 3.44Å; E186-K328 VanDerWaalsContact OE1-CE 3.3Å; E186-K328 WeakPolarHBondContact OE1-CE 3.33Å; E186-K328 IonicContact OE1-NZ 2.73Å; E186-K328 PolarHBondContact OE1-NZ 3.43Å; E186-K328 IonicContact OE2-NZ 2.71Å; E186-K328 PolarHBondContact OE2-NZ 3.23Å
187	I	91.7	Very high	87.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	116.4	170.5	-56.3	-179.9	0	0	0	106.5	T94 L96 V134 L167 T169 F189 V326 L327 L329	T94-I187 HydrophobicContact CG2-CD1 4Å; T94-I187 WeakPolarHBondContact OG1-CD1 3.42Å; L96-I187 HydrophobicContact CD1-CD1 4.28Å; V134-I187 HydrophobicContact CG1-CG2 4.07Å; L167-I187 HydrophobicContact CD1-CG2 3.75Å; T169-I187 HydrophobicContact CG2-CB 4.48Å; T169-I187 HydrophobicContact CG2-CG1 4.15Å; T169-I187 HydrophobicContact CG2-CG2 4.08Å; I187-F189 HydrophobicContact CB-CE2 4.15Å; I187-F189 HydrophobicContact CB-CZ 4.49Å; I187-F189 HydrophobicContact CG2-CD2 4.2Å; I187-F189 HydrophobicContact CG2-CE1 4.13Å; I187-F189 HydrophobicContact CG2-CE2 3.44Å; I187-F189 VanDerWaalsContact CG2-CE2 3.44Å; I187-F189 HydrophobicContact CG2-CZ 3.4Å; I187-F189 VanDerWaalsContact CG2-CZ 3.4Å; I187-V326 WeakPolarHBondContact O-CA 3.4Å; I187-L327 HydrophobicContact CB-CB 4.41Å; I187-L327 HydrophobicContact CD1-CD2 4.38Å; I187-L327 PolarHBondContact N-O 3.06Å; I187-L327 PolarHBondContact O-N 2.88Å; I187-L329 HydrophobicContact CD1-CD1 4.08Å
188	Q	89.7	Confident	87	Confident	54 Å²	54	44.5 Å²	44.5	25%	0.252	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	-168.5	-56.8	-175.2	-19.1	0	0	110.6	V134 F135 N136 E186 V326	V134-Q188 CarbonylContact C-O 3.56Å; V134-Q188 VanDerWaalsContact CA-O 3.32Å; V134-Q188 WeakPolarHBondContact CA-O 3.25Å; F135-Q188 PolarHBondContact N-O 3.15Å; N136-Q188 PolarHBondContact OD1-N 3.31Å; N136-Q188 VanDerWaalsContact OD1-N 3.09Å; E186-Q188 HydrophobicContact CB-CG 4.46Å; E186-Q188 PolarHBondContact OE2-NE2 2.73Å; Q188-V326 HydrophobicContact CB-CG2 4.23Å; Q188-V326 HydrophobicContact CG-CG1 4.06Å; Q188-V326 HydrophobicContact CG-CG2 3.85Å
189	F	89	Confident	87	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.7	-177.8	-55	-91.8	0	0	0	112.1	I77 L96 L98 T132 Y133 V134 F145 L167 I187 D324 L325	I77-F189 HydrophobicContact CD1-CD2 4.17Å; I77-F189 HydrophobicContact CD1-CE2 3.74Å; I77-F189 HydrophobicContact CD1-CZ 4.39Å; L96-F189 HydrophobicContact CD1-CZ 3.83Å; L98-F189 HydrophobicContact CD1-CE1 3.73Å; L98-F189 HydrophobicContact CD1-CZ 4.28Å; L98-F189 HydrophobicContact CD2-CE1 4.3Å; L98-F189 HydrophobicContact CD2-CZ 4.12Å; T132-F189 HydrophobicContact CG2-CB 4.4Å; T132-F189 HydrophobicContact CG2-CD1 4.43Å; Y133-F189 VanDerWaalsContact O-CA 3.31Å; Y133-F189 WeakPolarHBondContact O-CA 3.47Å; V134-F189 HydrophobicContact CG2-CD1 3.75Å; V134-F189 HydrophobicContact CG2-CE1 3.72Å; F145-F189 HydrophobicContact CZ-CD1 4.21Å; F145-F189 HydrophobicContact CZ-CE1 4.33Å; L167-F189 HydrophobicContact CD1-CE1 3.75Å; L167-F189 HydrophobicContact CD1-CZ 3.72Å; I187-F189 HydrophobicContact CB-CE2 4.15Å; I187-F189 HydrophobicContact CB-CZ 4.49Å; I187-F189 HydrophobicContact CG2-CD2 4.2Å; I187-F189 HydrophobicContact CG2-CE1 4.13Å; I187-F189 HydrophobicContact CG2-CE2 3.44Å; I187-F189 VanDerWaalsContact CG2-CE2 3.44Å; I187-F189 HydrophobicContact CG2-CZ 3.4Å; I187-F189 VanDerWaalsContact CG2-CZ 3.4Å; F189-D324 CarbonylContact O-C 3.59Å; F189-D324 WeakPolarHBondContact O-CA 3.49Å; F189-L325 HydrophobicContact CB-CB 4.31Å; F189-L325 PolarHBondContact N-O 3.14Å; F189-L325 PolarHBondContact O-N 3.05Å
190	G	87.1	Confident	87.1	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-171.5	170.2	0	0	0	0	0	112.2	T132 Y133	T132-G190 WeakPolarHBondContact CA-O 3.35Å; Y133-G190 PolarHBondContact N-O 3.22Å; Y133-G190 PolarHBondContact O-N 3.26Å; Y133-G190 VanDerWaalsContact O-N 3.16Å
191	S	86.8	Confident	87.3	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.1	176.9	179.5	0	0	0	0	111	D131 F135 M193 Y194 Y201 Q322	D131-S191 WeakPolarHBondContact OD1-CA 3.42Å; D131-S191 VanDerWaalsContact OD1-CB 3.28Å; D131-S191 WeakPolarHBondContact OD1-CB 3.44Å; D131-S191 PolarHBondContact OD1-OG 3.17Å; D131-S191 PolarHBondContact OD2-OG 2.85Å; F135-S191 WeakPolarHBondContact CZ-O 3.2Å; S191-M193 PolarHBondContact OG-N 3Å; S191-Y194 WeakPolarHBondContact CB-O 3.27Å; S191-Y194 WeakPolarHBondContact OG-CA 3.21Å; S191-Y194 VanDerWaalsContact OG-CB 3.32Å; S191-Y194 WeakPolarHBondContact OG-CB 3.36Å; S191-Y194 PolarHBondContact OG-N 3.21Å; S191-Y194 PolarHBondContact OG-O 2.96Å; S191-Y201 VanDerWaalsContact N-CE2 3.26Å; S191-Q322 PolarHBondContact O-NE2 3.44Å
192	W	82.4	Confident	87.2	Confident	133 Å²	133	43.6 Å²	43.6	50%	0.504	20%	0.203	S	C	.	.	S	Bend	trans	-66.4	-37.7	171.5	-176.8	-105.8	0	0	0	113.1	D131 Y133 F135	D131-W192 PolarHBondContact O-N 3.32Å; D131-W192 PolarHBondContact OD2-N 2.84Å; Y133-W192 AromaticContact CD1-CE3 3.49Å; Y133-W192 HydrophobicContact CD1-CE3 3.49Å; Y133-W192 VanDerWaalsContact CD1-CE3 3.49Å; Y133-W192 AromaticContact CD1-CZ3 3.86Å; Y133-W192 HydrophobicContact CD1-CZ3 3.86Å; Y133-W192 HydrophobicContact CD2-CE3 4.26Å; Y133-W192 AromaticContact CE1-CE3 3.77Å; Y133-W192 HydrophobicContact CE1-CE3 3.77Å; Y133-W192 AromaticContact CE1-CZ3 3.68Å; Y133-W192 HydrophobicContact CE1-CZ3 3.68Å; Y133-W192 HydrophobicContact CE2-CE3 4.49Å; Y133-W192 HydrophobicContact CG-CB 4.44Å; Y133-W192 HydrophobicContact CG-CD2 4.42Å; Y133-W192 AromaticContact CG-CE3 3.76Å; Y133-W192 HydrophobicContact CG-CE3 3.76Å; F135-W192 HydrophobicContact CD1-CE3 4.21Å; F135-W192 HydrophobicContact CD1-CZ3 4.1Å; F135-W192 AromaticContact CE1-CE3 3.59Å; F135-W192 HydrophobicContact CE1-CE3 3.59Å; F135-W192 AromaticContact CE1-CZ3 3.86Å; F135-W192 HydrophobicContact CE1-CZ3 3.86Å; F135-W192 HydrophobicContact CZ-CE3 4.43Å
193	M	80	Confident	87	Confident	99 Å²	99	41 Å²	41	49%	0.488	19%	0.191	S	C	.	.	S	Bend	trans	-114.6	-34.6	-164.5	-162.4	73.4	87.8	0	0	114.4	D131 S191 W302	D131-M193 VanDerWaalsContact OD2-CB 3.27Å; D131-M193 WeakPolarHBondContact OD2-CB 3.39Å; D131-M193 PolarHBondContact OD2-N 2.76Å; S191-M193 PolarHBondContact OG-N 3Å; M193-W302 HydrophobicContact SD-CG 4.21Å
194	Y	81.3	Confident	86.6	Confident	51 Å²	51	43.6 Å²	43.6	20%	0.2	20%	0.203	C	C	.	.			trans	-96.6	135.5	-169.3	-59.9	-77.2	0	0	0	112.4	R62 W128 D131 S191 W198 I199 Q322	R62-Y194 HydrophobicContact CG-CE1 4.29Å; W128-Y194 HydrophobicContact CZ2-CE2 4.32Å; D131-Y194 WeakPolarHBondContact OD1-CD2 3.3Å; S191-Y194 WeakPolarHBondContact CB-O 3.27Å; S191-Y194 WeakPolarHBondContact OG-CA 3.21Å; S191-Y194 VanDerWaalsContact OG-CB 3.32Å; S191-Y194 WeakPolarHBondContact OG-CB 3.36Å; S191-Y194 PolarHBondContact OG-N 3.21Å; S191-Y194 PolarHBondContact OG-O 2.96Å; Y194-W198 HydrophobicContact CD1-CB 4.06Å; Y194-W198 HydrophobicContact CD1-CD2 4.15Å; Y194-W198 AromaticContact CD1-CE3 3.6Å; Y194-W198 HydrophobicContact CD1-CE3 3.6Å; Y194-W198 HydrophobicContact CD1-CG 4.36Å; Y194-W198 HydrophobicContact CD1-CZ3 4.4Å; Y194-W198 AromaticContact CE1-CE3 3.76Å; Y194-W198 HydrophobicContact CE1-CE3 3.76Å; Y194-W198 HydrophobicContact CE1-CZ3 4.21Å; Y194-W198 HydrophobicContact CG-CB 4.4Å; Y194-I199 HydrophobicContact CD2-CD1 3.28Å; Y194-I199 HydrophobicContact CD2-CG1 4.08Å; Y194-I199 HydrophobicContact CE2-CD1 3.75Å; Y194-I199 HydrophobicContact CG-CD1 3.71Å; Y194-I199 HydrophobicContact CG-CG1 3.98Å; Y194-Q322 PolarHBondContact O-NE2 2.68Å
195	T	80.2	Confident	85.3	Confident	43 Å²	43	45.3 Å²	45.3	26%	0.264	22%	0.216	S	C	.	.			trans	-73.2	165.7	171.8	66.2	0	0	0	0	111.3	D197 W198 I199	T195-D197 WeakPolarHBondContact CB-OD2 3.5Å; T195-D197 PolarHBondContact O-N 3.45Å; T195-D197 VanDerWaalsContact O-N 3.09Å; T195-D197 PolarHBondContact OG1-OD2 3.38Å; T195-W198 PolarHBondContact O-N 2.9Å; T195-I199 PolarHBondContact O-N 3.38Å; T195-I199 VanDerWaalsContact O-N 3.08Å
196	S	79.1	Confident	83.5	Confident	21 Å²	21	49.9 Å²	49.9	15%	0.147	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9	178.3	-74.4	0	0	0	0	114.8	W198 I199 R321 Q322 T323	S196-W198 VanDerWaalsContact C-N 3.33Å; S196-I199 WeakPolarHBondContact CA-O 3.29Å; S196-R321 PolarHBondContact OG-O 2.94Å; S196-Q322 WeakPolarHBondContact OG-CA 3.41Å; S196-T323 PolarHBondContact OG-N 3.33Å; S196-T323 PolarHBondContact OG-OG1 3.08Å; S196-T323 VanDerWaalsContact OG-OG1 3.06Å
197	D	79	Confident	81	Confident	102 Å²	102	55.9 Å²	55.9	55%	0.545	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.3	168.9	-31.7	-80	0	0	0	112	K70 T195	K70-D197 WeakPolarHBondContact CB-O 3.3Å; T195-D197 WeakPolarHBondContact CB-OD2 3.5Å; T195-D197 PolarHBondContact O-N 3.45Å; T195-D197 VanDerWaalsContact O-N 3.09Å; T195-D197 PolarHBondContact OG1-OD2 3.38Å
198	W	84.6	Confident	78.5	Confident	99 Å²	99	63.7 Å²	63.7	38%	0.375	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-44.4	-176.6	-72.4	61.1	0	0	0	112.2	R62 L71 Y194 T195 S196 P304	R62-W198 VanDerWaalsContact NE-CE3 3.29Å; R62-W198 PolarHBondContact NH1-O 3.22Å; L71-W198 PolarHBondContact N-O 3.47Å; Y194-W198 HydrophobicContact CD1-CB 4.06Å; Y194-W198 HydrophobicContact CD1-CD2 4.15Å; Y194-W198 AromaticContact CD1-CE3 3.6Å; Y194-W198 HydrophobicContact CD1-CE3 3.6Å; Y194-W198 HydrophobicContact CD1-CG 4.36Å; Y194-W198 HydrophobicContact CD1-CZ3 4.4Å; Y194-W198 AromaticContact CE1-CE3 3.76Å; Y194-W198 HydrophobicContact CE1-CE3 3.76Å; Y194-W198 HydrophobicContact CE1-CZ3 4.21Å; Y194-W198 HydrophobicContact CG-CB 4.4Å; T195-W198 PolarHBondContact O-N 2.9Å; S196-W198 VanDerWaalsContact C-N 3.33Å; W198-P304 HydrophobicContact CH2-CG 4.33Å; W198-P304 HydrophobicContact CZ2-CG 4.09Å
199	I	88	Confident	76	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.4	180	-58.4	-170.4	0	0	0	110.4	L71 V73 W128 Y194 T195 S196 Y201	L71-I199 HydrophobicContact CB-CG1 4.42Å; L71-I199 WeakPolarHBondContact O-CA 3.41Å; V73-I199 HydrophobicContact CG2-CG2 3.81Å; W128-I199 HydrophobicContact CH2-CD1 3.84Å; W128-I199 HydrophobicContact CZ2-CD1 3.82Å; Y194-I199 HydrophobicContact CD2-CD1 3.28Å; Y194-I199 HydrophobicContact CD2-CG1 4.08Å; Y194-I199 HydrophobicContact CE2-CD1 3.75Å; Y194-I199 HydrophobicContact CG-CD1 3.71Å; Y194-I199 HydrophobicContact CG-CG1 3.98Å; T195-I199 PolarHBondContact O-N 3.38Å; T195-I199 VanDerWaalsContact O-N 3.08Å; S196-I199 WeakPolarHBondContact CA-O 3.29Å; I199-Y201 HydrophobicContact CG2-CD2 4.14Å; I199-Y201 HydrophobicContact CG2-CE2 3.65Å
200	E	88.5	Confident	73.3	Confident	30 Å²	30	76.6 Å²	76.6	14%	0.14	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.6	178.3	-178.9	-177.5	-141.9	0	0	110.2	K70 L71 T72 V73 K202	K70-E200 HydrophobicContact CD-CB 4.12Å; K70-E200 WeakPolarHBondContact CE-OE2 3.42Å; K70-E200 IonicContact NZ-OE1 2.66Å; K70-E200 PolarHBondContact NZ-OE1 3.21Å; K70-E200 IonicContact NZ-OE2 3.63Å; K70-E200 PolarHBondContact NZ-OE2 3.33Å; L71-E200 PolarHBondContact O-N 3.03Å; T72-E200 WeakPolarHBondContact CA-O 3.42Å; V73-E200 PolarHBondContact N-O 3.27Å; E200-K202 HydrophobicContact CG-CG 4.47Å; E200-K202 VanDerWaalsContact OE1-CE 3.32Å; E200-K202 WeakPolarHBondContact OE1-CE 3.5Å; E200-K202 IonicContact OE1-NZ 3.18Å; E200-K202 PolarHBondContact OE1-NZ 2.92Å; E200-K202 WeakPolarHBondContact OE2-CE 3.46Å; E200-K202 IonicContact OE2-NZ 2.76Å; E200-K202 PolarHBondContact OE2-NZ 3.5Å
201	Y	89.5	Confident	70.5	Confident	4 Å²	4	81.2 Å²	81.2	2%	0.016	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.6	176	-72.7	-86.2	0	0	0	111.6	V73 I75 T132 S191 I199	V73-Y201 HydrophobicContact CB-CD1 3.83Å; V73-Y201 HydrophobicContact CB-CE1 3.73Å; V73-Y201 HydrophobicContact CG1-CD1 3.91Å; V73-Y201 HydrophobicContact CG1-CE1 3.6Å; V73-Y201 HydrophobicContact CG2-CE1 4.33Å; V73-Y201 WeakPolarHBondContact O-CA 3.17Å; I75-Y201 HydrophobicContact CD1-CD1 3.65Å; I75-Y201 HydrophobicContact CD1-CE1 3.87Å; I75-Y201 HydrophobicContact CG1-CD1 4.08Å; T132-Y201 HydrophobicContact CG2-CE1 4.35Å; T132-Y201 VanDerWaalsContact OG1-CE1 3.3Å; T132-Y201 WeakPolarHBondContact OG1-CE1 3.26Å; T132-Y201 PolarHBondContact OG1-OH 3.28Å; T132-Y201 VanDerWaalsContact OG1-OH 3.12Å; S191-Y201 VanDerWaalsContact N-CE2 3.26Å; I199-Y201 HydrophobicContact CG2-CD2 4.14Å; I199-Y201 HydrophobicContact CG2-CE2 3.65Å
202	K	89.3	Confident	67.8	Low	74 Å²	74	85.6 Å²	85.6	32%	0.322	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149	177	-72.1	176	174.5	149.6	0	110.8	T72 V73 K74 I75 E200	T72-K202 HydrophobicContact CG2-CD 3.99Å; V73-K202 PolarHBondContact O-N 3.29Å; K74-K202 CarbonylContact C-O 3.6Å; K74-K202 VanDerWaalsContact CA-O 3.28Å; K74-K202 WeakPolarHBondContact CA-O 3.39Å; I75-K202 PolarHBondContact N-O 3.33Å; E200-K202 HydrophobicContact CG-CG 4.47Å; E200-K202 VanDerWaalsContact OE1-CE 3.32Å; E200-K202 WeakPolarHBondContact OE1-CE 3.5Å; E200-K202 IonicContact OE1-NZ 3.18Å; E200-K202 PolarHBondContact OE1-NZ 2.92Å; E200-K202 WeakPolarHBondContact OE2-CE 3.46Å; E200-K202 IonicContact OE2-NZ 2.76Å; E200-K202 PolarHBondContact OE2-NZ 3.5Å
203	F	87.7	Confident	65.3	Low	23 Å²	23	85.2 Å²	85.2	10%	0.101	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.1	167.9	-64.3	-64.4	0	0	0	111	I75 I77 T205 L289 S290 Y291 L325	I75-F203 WeakPolarHBondContact O-CA 3.44Å; I77-F203 HydrophobicContact CD1-CE1 4.02Å; F203-T205 PolarHBondContact O-N 3.41Å; F203-L289 HydrophobicContact CD1-CB 4.36Å; F203-L289 HydrophobicContact CD1-CD1 3.86Å; F203-L289 HydrophobicContact CD1-CD2 4.35Å; F203-L289 HydrophobicContact CD1-CG 4.42Å; F203-L289 HydrophobicContact CD2-CB 4.05Å; F203-L289 HydrophobicContact CE1-CB 4.09Å; F203-L289 HydrophobicContact CE1-CD1 4.12Å; F203-L289 HydrophobicContact CE1-CD2 3.76Å; F203-L289 HydrophobicContact CE1-CG 4.21Å; F203-L289 HydrophobicContact CE2-CB 3.78Å; F203-L289 HydrophobicContact CG-CB 4.34Å; F203-L289 HydrophobicContact CG-CD1 4.18Å; F203-L289 HydrophobicContact CZ-CB 3.79Å; F203-L289 HydrophobicContact CZ-CD2 4.04Å; F203-L289 HydrophobicContact CZ-CG 4.37Å; F203-S290 WeakPolarHBondContact CE2-O 3.47Å; F203-Y291 HydrophobicContact CD2-CE1 4.23Å; F203-Y291 AromaticContact CD2-CE2 3.77Å; F203-Y291 HydrophobicContact CD2-CE2 3.77Å; F203-Y291 AromaticContact CD2-CZ 3.59Å; F203-Y291 HydrophobicContact CE2-CD2 4.34Å; F203-Y291 HydrophobicContact CE2-CE1 4.36Å; F203-Y291 HydrophobicContact CE2-CE2 4.03Å; F203-Y291 PolarHBondContact N-OH 2.91Å; F203-Y291 VanDerWaalsContact N-OH 3.14Å; F203-L325 HydrophobicContact CD1-CD1 4.04Å; F203-L325 HydrophobicContact CD1-CD2 4.44Å; F203-L325 HydrophobicContact CD2-CD2 4.16Å; F203-L325 HydrophobicContact CE1-CB 3.8Å; F203-L325 HydrophobicContact CE1-CD1 3.89Å; F203-L325 HydrophobicContact CE1-CD2 4.2Å; F203-L325 HydrophobicContact CE1-CG 4.19Å; F203-L325 HydrophobicContact CE2-CB 4.42Å; F203-L325 HydrophobicContact CE2-CD2 3.89Å; F203-L325 HydrophobicContact CG-CD2 4.43Å; F203-L325 HydrophobicContact CZ-CB 3.64Å; F203-L325 HydrophobicContact CZ-CD1 4.39Å; F203-L325 HydrophobicContact CZ-CD2 3.92Å; F203-L325 HydrophobicContact CZ-CG 4.19Å
204	Q	84.6	Confident	63.1	Low	63 Å²	63	86.2 Å²	86.2	29%	0.294	45%	0.445	S	S	.	.			trans	-74.2	109.4	174.7	174.3	63.3	6.3	0	0	110	K74 I75 I101 N206	K74-Q204 HydrophobicContact CB-CB 4.37Å; K74-Q204 VanDerWaalsContact CD-OE1 3.28Å; I75-Q204 PolarHBondContact O-N 3.47Å; I101-Q204 HydrophobicContact CD1-CG 4.45Å; Q204-N206 PolarHBondContact O-N 3.47Å
205	T	66.2	Low	60.7	Low	108 Å²	108	90.1 Å²	90.1	66%	0.663	48%	0.475	S	S	*	.			trans	-83.8	105.6	-178.8	45.1	0	0	0	0	112.1	F203 Q207	F203-T205 PolarHBondContact O-N 3.41Å; T205-Q207 PolarHBondContact O-N 3.03Å; T205-Q207 VanDerWaalsContact O-N 3.1Å
206	N	56.4	Low	58.4	Low	96 Å²	96	96 Å²	96	51%	0.513	51%	0.505	S	S	.	.			trans	-69.2	104	174.2	-79.2	-21.7	0	0	0	111.1	Q204 H208	Q204-N206 PolarHBondContact O-N 3.47Å; N206-H208 PolarHBondContact O-N 3.29Å
207	Q	40.6	Very low	56.2	Low	169 Å²	169	103.4 Å²	103.4	79%	0.79	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-64.5	-9.9	-179.9	-65.8	-172.7	-11.9	0	0	114.4	T205 H209 K210	T205-Q207 PolarHBondContact O-N 3.03Å; T205-Q207 VanDerWaalsContact O-N 3.1Å; Q207-H209 PolarHBondContact O-N 3.01Å; Q207-H209 VanDerWaalsContact O-N 3.08Å; Q207-K210 PolarHBondContact O-N 3.38Å
208	H	39.2	Very low	53.8	Low	163 Å²	163	105.1 Å²	105.1	76%	0.755	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-61.4	-13.9	-177.6	-81.4	-65.1	0	0	0	116.1	N206 S211	N206-H208 PolarHBondContact O-N 3.29Å; H208-S211 PolarHBondContact O-OG 2.93Å
209	H	36.9	Very low	51.3	Low	137 Å²	137	110.3 Å²	110.3	63%	0.634	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-90.7	-3	176.8	-85.8	-57.8	0	0	0	115.9	Q207 S211 T212	Q207-H209 PolarHBondContact O-N 3.01Å; Q207-H209 VanDerWaalsContact O-N 3.08Å; H209-S211 PolarHBondContact O-N 3.47Å; H209-S211 VanDerWaalsContact O-N 3.08Å; H209-T212 PolarHBondContact ND1-OG1 2.89Å; H209-T212 VanDerWaalsContact ND1-OG1 3.09Å; H209-T212 PolarHBondContact O-N 3.4Å
210	K	31.9	Very low	48.4	Very low	189 Å²	189	118.3 Å²	118.3	82%	0.822	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	6	174	-79.1	-164.2	170.4	-170.1	0	114.8	Q207	Q207-K210 PolarHBondContact O-N 3.38Å
211	S	28.7	Very low	45.9	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	8.6	179.4	55	0	0	0	0	114.9	H208 H209	H208-S211 PolarHBondContact O-OG 2.93Å; H209-S211 PolarHBondContact O-N 3.47Å; H209-S211 VanDerWaalsContact O-N 3.08Å
212	T	30	Very low	43.1	Very low	93 Å²	93	131 Å²	131	57%	0.571	66%	0.658	S	S	*	*			trans	-128.9	41.4	-177.8	37.5	0	0	0	0	113.4	H209	H209-T212 PolarHBondContact ND1-OG1 2.89Å; H209-T212 VanDerWaalsContact ND1-OG1 3.09Å; H209-T212 PolarHBondContact O-N 3.4Å
213	T	29.2	Very low	40.5	Very low	126 Å²	126	133.5 Å²	133.5	77%	0.773	68%	0.679	S	S	*	*			trans	-116.7	20.7	180	48.5	0	0	0	0	114.6
214	T	33.5	Very low	37.7	Very low	119 Å²	119	141.6 Å²	141.6	73%	0.73	71%	0.714	S	S	*	*	S	Bend	trans	-125.9	135.1	160.7	51.6	0	0	0	0	109.9
215	T	31.8	Very low	35.4	Very low	134 Å²	134	145.2 Å²	145.2	82%	0.822	74%	0.735	S	S	*	*	S	Bend	trans	50.5	75.1	177.3	61.3	0	0	0	0	116.1
216	D	32.6	Very low	33.7	Very low	167 Å²	167	147.1 Å²	147.1	89%	0.893	74%	0.74	S	S	*	*				-144.3	146.4	123.2	-128.7	-28.8	0	0	0	112.2
217	K	32.7	Very low	32.5	Very low	176 Å²	176	148 Å²	148	77%	0.765	75%	0.751	S	S	*	*			trans	-130.9	142.4	-170.9	-70.5	179.1	179.1	173.8	0	111.7
218	N	27.2	Very low	32.4	Very low	138 Å²	138	144.1 Å²	144.1	74%	0.738	74%	0.742	S	S	*	*			trans	69.2	75.2	163.8	-48.6	-51.3	0	0	0	117.6	K220	N218-K220 PolarHBondContact O-N 2.78Å; N218-K220 VanDerWaalsContact O-N 3.07Å
219	W	32.2	Very low	32.5	Very low	208 Å²	208	142.8 Å²	142.8	79%	0.788	74%	0.74	S	S	*	*			trans	-78.6	68	145.3	60.3	-93.1	0	0	0	110.5	Y221	W219-Y221 HydrophobicContact CD2-CE2 4.44Å; W219-Y221 AromaticContact CE3-CD2 3.63Å; W219-Y221 HydrophobicContact CE3-CD2 3.63Å; W219-Y221 AromaticContact CE3-CE2 3.46Å; W219-Y221 HydrophobicContact CE3-CE2 3.46Å; W219-Y221 VanDerWaalsContact CE3-CE2 3.46Å; W219-Y221 AromaticContact CZ3-CD2 4Å; W219-Y221 HydrophobicContact CZ3-CD2 4Å; W219-Y221 AromaticContact CZ3-CE2 3.9Å; W219-Y221 HydrophobicContact CZ3-CE2 3.9Å; W219-Y221 PolarHBondContact O-N 3.28Å
220	K	28.7	Very low	32.9	Very low	169 Å²	169	141 Å²	141	74%	0.735	74%	0.739	S	S	*	*			trans	-80.3	101	164.2	-94.7	-174.2	173.5	178.4	0	108.4	N218 T222	N218-K220 PolarHBondContact O-N 2.78Å; N218-K220 VanDerWaalsContact O-N 3.07Å; K220-T222 PolarHBondContact O-N 3.28Å
221	Y	35.5	Very low	33.3	Very low	197 Å²	197	135.7 Å²	135.7	77%	0.773	73%	0.726	S	S	*	*			trans	-65.8	84.7	167.9	-74	-65.9	0	0	0	110.4	W219 T223	W219-Y221 HydrophobicContact CD2-CE2 4.44Å; W219-Y221 AromaticContact CE3-CD2 3.63Å; W219-Y221 HydrophobicContact CE3-CD2 3.63Å; W219-Y221 AromaticContact CE3-CE2 3.46Å; W219-Y221 HydrophobicContact CE3-CE2 3.46Å; W219-Y221 VanDerWaalsContact CE3-CE2 3.46Å; W219-Y221 AromaticContact CZ3-CD2 4Å; W219-Y221 HydrophobicContact CZ3-CD2 4Å; W219-Y221 AromaticContact CZ3-CE2 3.9Å; W219-Y221 HydrophobicContact CZ3-CE2 3.9Å; W219-Y221 PolarHBondContact O-N 3.28Å; Y221-T223 PolarHBondContact O-N 2.84Å
222	T	29.2	Very low	33.7	Very low	105 Å²	105	138 Å²	138	64%	0.644	73%	0.729	S	S	*	*			trans	-73.1	96.6	172.3	55.1	0	0	0	0	109.1	K220 K224	K220-T222 PolarHBondContact O-N 3.28Å; T222-K224 VanDerWaalsContact C-N 3.33Å; T222-K224 PolarHBondContact O-N 3.24Å
223	T	36.2	Very low	34	Very low	126 Å²	126	141.3 Å²	141.3	77%	0.773	74%	0.74	S	S	*	*			trans	-63.1	91.9	168.5	37.5	0	0	0	0	109.7	Y221 L225	Y221-T223 PolarHBondContact O-N 2.84Å; T223-L225 PolarHBondContact O-N 3.4Å
224	K	28	Very low	34.6	Very low	192 Å²	192	142.1 Å²	142.1	84%	0.835	74%	0.739	S	S	*	*			trans	-70.6	73.6	175	-75.1	-173.9	177.2	177.4	0	111.2	T222	T222-K224 VanDerWaalsContact C-N 3.33Å; T222-K224 PolarHBondContact O-N 3.24Å
225	L	36.4	Very low	34.4	Very low	140 Å²	140	143.3 Å²	143.3	73%	0.733	74%	0.741	S	S	*	*	S	Bend	trans	-112.1	138.5	159.6	-67.3	175.6	0	0	0	108.2	T223 P227	T223-L225 PolarHBondContact O-N 3.4Å; L225-P227 WeakPolarHBondContact O-CD 3.38Å
226	L	30.4	Very low	34.5	Very low	148 Å²	148	146.3 Å²	146.3	78%	0.775	74%	0.743	S	S	*	*			trans	-58.9	116.6	-155.5	-75.1	75.1	0	0	0	113.9	S228	L226-S228 VanDerWaalsContact C-N 3.31Å; L226-S228 PolarHBondContact O-N 2.96Å
227	P	30.9	Very low	34.6	Very low	115 Å²	115	143.7 Å²	143.7	75%	0.747	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	68.8	174.9	35	-34.6	0	0	0	111.4	L225	L225-P227 WeakPolarHBondContact O-CD 3.38Å
228	S	39.7	Very low	34.6	Very low	86 Å²	86	142.4 Å²	142.4	60%	0.601	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	-10.1	178.8	57.9	0	0	0	0	115.7	L226	L226-S228 VanDerWaalsContact C-N 3.31Å; L226-S228 PolarHBondContact O-N 2.96Å
229	L	40.7	Very low	34.8	Very low	136 Å²	136	146.3 Å²	146.3	71%	0.712	74%	0.743	S	S	*	*	S	Bend	trans	-125.2	-33.1	175.8	-84.1	164.4	0	0	0	114	S231 L232	L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 3.01Å
230	V	45.7	Very low	34.8	Very low	99 Å²	99	144.1 Å²	144.1	60%	0.6	74%	0.742	S	S	*	*	H	α-helix	trans	-67.5	-33.5	179.8	-178.5	0	0	0	0	112	L232 M233 L234	V230-L232 PolarHBondContact O-N 3.47Å; V230-M233 PolarHBondContact O-N 3.22Å; V230-M233 VanDerWaalsContact O-N 3.16Å; V230-L234 HydrophobicContact CG1-CD1 4.16Å
231	S	40.4	Very low	34.8	Very low	78 Å²	78	142.3 Å²	142.3	55%	0.545	74%	0.744	S	S	.	*	H	α-helix	trans	-65.6	-18	177.4	45.1	0	0	0	0	114.2	L229	L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.47Å
232	L	36.2	Very low	34.4	Very low	145 Å²	145	138.1 Å²	138.1	76%	0.759	74%	0.744	S	S	*	*	H	α-helix	trans	-80.4	-25.3	175.3	-150.1	80.8	0	0	0	112.6	L229 V230	L229-L232 PolarHBondContact O-N 3.01Å; V230-L232 PolarHBondContact O-N 3.47Å
233	M	37.2	Very low	34.6	Very low	164 Å²	164	139 Å²	139	81%	0.808	75%	0.75	S	S	*	*	H	α-helix	trans	-92	-11.8	-172.1	-64.5	-67.7	-107.1	0	0	114.1	V230	V230-M233 PolarHBondContact O-N 3.22Å; V230-M233 VanDerWaalsContact O-N 3.16Å
234	L	41.3	Very low	34.5	Very low	143 Å²	143	142.7 Å²	142.7	75%	0.749	76%	0.755	S	S	*	*	S	Bend	trans	-117	18.8	-172.5	-68.9	174.7	0	0	0	114.4	V230	V230-L234 HydrophobicContact CG1-CD1 4.16Å
235	N	30	Very low	34.4	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	75%	0.752	S	S	*	*			trans	-108	67.5	-177.9	-167.9	7.5	0	0	0	113.2
236	K	34.4	Very low	34.2	Very low	198 Å²	198	148.1 Å²	148.1	86%	0.861	76%	0.76	S	S	*	*			trans	-159.7	129.6	164.6	-123.1	175.6	-176.2	178.9	0	112
237	S	34.5	Very low	34.2	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	75%	0.754	S	S	*	*			trans	62.8	133	-175.5	-104.9	0	0	0	0	115.1
238	N	32.5	Very low	34.5	Very low	149 Å²	149	149.9 Å²	149.9	80%	0.797	76%	0.758	S	S	*	*			cis	-120.3	147.3	5.2	-72.1	-37.1	0	0	0	112.3
239	R	31.5	Very low	34	Very low	219 Å²	219	153.1 Å²	153.1	83%	0.826	77%	0.769	S	S	*	*			trans	-111.3	158.4	157.4	-71.1	-175.8	177.7	176.2	-0.3	108.4
240	H	30.8	Very low	33.7	Very low	163 Å²	163	155.7 Å²	155.7	76%	0.755	78%	0.777	S	S	*	*			trans	65.1	96.5	170.2	-48.6	-77.1	0	0	0	116.8
241	V	29.4	Very low	32.8	Very low	131 Å²	131	160.2 Å²	160.2	79%	0.794	79%	0.792	S	S	*	*				-132.8	137.4	108.9	-179.9	0	0	0	0	107.5	T243	V241-T243 HydrophobicContact CG1-CG2 4.48Å
242	S	26.8	Very low	32.4	Very low	109 Å²	109	165 Å²	165	76%	0.762	81%	0.806	S	S	*	*			trans	-151.4	88.8	174.2	60.3	0	0	0	0	109.7
243	T	34.2	Very low	31.9	Very low	124 Å²	124	166.5 Å²	166.5	76%	0.761	81%	0.809	S	S	*	*			trans	-126.5	121.9	-173.6	40.6	0	0	0	0	112.1	V241	V241-T243 HydrophobicContact CG1-CG2 4.48Å
244	K	32.9	Very low	31.6	Very low	203 Å²	203	165.2 Å²	165.2	88%	0.883	81%	0.805	S	S	*	*			trans	-49.6	132.3	179	-75.7	169.8	172.7	173.8	0	114.5
245	R	27.8	Very low	31	Very low	206 Å²	206	165.9 Å²	165.9	78%	0.777	81%	0.809	S	S	*	*				39.3	115.6	117.1	-172.9	-165.8	-162.3	160.5	10.6	117.5	D247	R245-D247 IonicContact NE-OD2 2.64Å
246	R	30.3	Very low	31.4	Very low	239 Å²	239	164 Å²	164	90%	0.902	80%	0.803	S	S	*	*				-144.7	142.9	128.3	-103.1	179	-160.3	151.8	6.8	109.7
247	D	32.2	Very low	31.3	Very low	120 Å²	120	159.3 Å²	159.3	64%	0.642	79%	0.787	S	S	*	*			trans	-90	131.3	179.1	-40.3	-92	0	0	0	108.2	R245	R245-D247 IonicContact NE-OD2 2.64Å
248	H	36.1	Very low	31.3	Very low	180 Å²	180	158.8 Å²	158.8	83%	0.833	78%	0.784	S	S	*	*			trans	-149.7	137.9	164.3	-105.7	-83.5	0	0	0	108.7
249	N	29.4	Very low	31.4	Very low	155 Å²	155	154.8 Å²	154.8	83%	0.829	77%	0.767	S	S	*	*			trans	-91.3	121.9	179.2	-56.9	-12	0	0	0	108.9
250	E	33.6	Very low	31.6	Very low	189 Å²	189	150.7 Å²	150.7	88%	0.883	76%	0.755	S	S	*	*			trans	-127.9	114.4	159.5	-70.6	-176.8	137.7	0	0	107	E252	E250-E252 VanDerWaalsContact C-N 3.3Å; E250-E252 PolarHBondContact O-N 2.9Å; E250-E252 VanDerWaalsContact O-N 3.12Å
251	E	28.5	Very low	31.9	Very low	195 Å²	195	147.7 Å²	147.7	91%	0.911	74%	0.744	S	S	*	*			trans	-83.3	74.3	178.7	-67.9	179.5	125.2	0	0	109.2	Q253	E251-Q253 PolarHBondContact O-N 3.41Å
252	E	30.2	Very low	32.2	Very low	179 Å²	179	147.7 Å²	147.7	84%	0.836	74%	0.736	S	S	*	*			trans	-81.5	111.3	174.4	-158.9	156.8	-133.5	0	0	109.7	E250 D254	E250-E252 VanDerWaalsContact C-N 3.3Å; E250-E252 PolarHBondContact O-N 2.9Å; E250-E252 VanDerWaalsContact O-N 3.12Å; E252-D254 VanDerWaalsContact C-N 3.31Å; E252-D254 PolarHBondContact O-N 3.27Å
253	Q	26.9	Very low	32.9	Very low	176 Å²	176	148.5 Å²	148.5	82%	0.822	73%	0.727	S	S	*	*			trans	-89	60.5	-158.8	-162.9	170	2.5	0	0	113.1	E251 N255	E251-Q253 PolarHBondContact O-N 3.41Å; Q253-N255 PolarHBondContact O-N 3.24Å
254	D	31.5	Very low	33.3	Very low	137 Å²	137	147.9 Å²	147.9	73%	0.733	72%	0.72	S	S	*	*			trans	-69.5	98.2	178.9	-102.1	-7.7	0	0	0	112	E252 V256	E252-D254 VanDerWaalsContact C-N 3.31Å; E252-D254 PolarHBondContact O-N 3.27Å; D254-V256 HydrophobicContact CB-CG2 4.42Å; D254-V256 PolarHBondContact O-N 3.4Å
255	N	27.6	Very low	33.4	Very low	156 Å²	156	146.2 Å²	146.2	83%	0.834	71%	0.709	S	S	*	*			trans	-70.8	70.7	169	-96.2	-24.7	0	0	0	110.9	Q253 D257	Q253-N255 PolarHBondContact O-N 3.24Å; N255-D257 PolarHBondContact O-N 2.98Å
256	V	38.4	Very low	34.1	Very low	104 Å²	104	141.9 Å²	141.9	63%	0.63	70%	0.7	S	S	*	*			trans	-77.3	112.8	166.1	179.3	0	0	0	0	108.4	D254 S258	D254-V256 HydrophobicContact CB-CG2 4.42Å; D254-V256 PolarHBondContact O-N 3.4Å; V256-S258 PolarHBondContact O-N 3.27Å
257	D	32.2	Very low	34.9	Very low	99 Å²	99	132 Å²	132	53%	0.529	67%	0.667	S	S	.	*			trans	-45.7	108.6	179.3	-82.8	-48.1	0	0	0	112.4	N255 S259 K260 L261	N255-D257 PolarHBondContact O-N 2.98Å; D257-S259 PolarHBondContact O-N 3.36Å; D257-K260 HydrophobicContact CB-CB 3.69Å; D257-K260 HydrophobicContact CB-CD 4.39Å; D257-K260 VanDerWaalsContact O-CB 3.27Å; D257-K260 WeakPolarHBondContact O-CB 3.41Å; D257-K260 PolarHBondContact O-N 2.66Å; D257-L261 PolarHBondContact O-N 3.46Å
258	S	34.5	Very low	35.6	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	67%	0.665	S	S	*	*	H	α-helix	trans	-63.7	-31.8	177.7	53.3	0	0	0	0	112.3	V256 K260 L261 E262	V256-S258 PolarHBondContact O-N 3.27Å; S258-K260 VanDerWaalsContact C-N 3.29Å; S258-K260 PolarHBondContact O-N 3.31Å; S258-L261 PolarHBondContact O-N 3.25Å; S258-E262 PolarHBondContact O-N 2.91Å
259	S	34.2	Very low	36.2	Very low	65 Å²	65	131.6 Å²	131.6	46%	0.455	66%	0.659	S	S	.	*	H	α-helix	trans	-56.4	-40.3	170.2	49.3	0	0	0	0	112.7	D257 E262 E263	D257-S259 PolarHBondContact O-N 3.36Å; S259-E262 PolarHBondContact O-N 3.42Å; S259-E263 PolarHBondContact O-N 3.47Å
260	K	37.5	Very low	37.4	Very low	132 Å²	132	126.7 Å²	126.7	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-71	-36.5	-178.5	-155.7	173.8	-165.2	168.7	0	111.7	D257 S258 E262 D264	D257-K260 HydrophobicContact CB-CB 3.69Å; D257-K260 HydrophobicContact CB-CD 4.39Å; D257-K260 VanDerWaalsContact O-CB 3.27Å; D257-K260 WeakPolarHBondContact O-CB 3.41Å; D257-K260 PolarHBondContact O-N 2.66Å; S258-K260 VanDerWaalsContact C-N 3.29Å; S258-K260 PolarHBondContact O-N 3.31Å; K260-E262 VanDerWaalsContact C-N 3.35Å; K260-D264 PolarHBondContact O-N 2.97Å; K260-D264 VanDerWaalsContact O-N 3.11Å
261	L	37	Very low	39.1	Very low	101 Å²	101	118.7 Å²	118.7	53%	0.529	60%	0.603	S	S	.	*	H	α-helix	trans	-67	-36.5	170.7	-135.2	91.4	0	0	0	111.6	D257 S258 Y265	D257-L261 PolarHBondContact O-N 3.46Å; S258-L261 PolarHBondContact O-N 3.25Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.47Å; L261-Y265 VanDerWaalsContact O-N 3.09Å
262	E	35.8	Very low	41.2	Very low	130 Å²	130	111.6 Å²	111.6	61%	0.607	57%	0.571	S	S	*	*	H	α-helix	trans	-67.9	-39	175.9	-122	-172.8	148.7	0	0	112.3	S258 S259 K260 Y265 L266	S258-E262 PolarHBondContact O-N 2.91Å; S259-E262 PolarHBondContact O-N 3.42Å; K260-E262 VanDerWaalsContact C-N 3.35Å; E262-Y265 PolarHBondContact O-N 2.91Å; E262-L266 WeakPolarHBondContact O-CB 3.46Å; E262-L266 WeakPolarHBondContact O-CG 3.41Å; E262-L266 PolarHBondContact O-N 3.42Å
263	E	41.2	Very low	43.3	Very low	126 Å²	126	106.3 Å²	106.3	59%	0.589	55%	0.551	S	S	*	*	H	α-helix	trans	-62.9	-45.5	172.5	-74.1	-166.1	124.1	0	0	112.3	S259 Y265 L266 T267	S259-E263 PolarHBondContact O-N 3.47Å; E263-Y265 VanDerWaalsContact C-N 3.29Å; E263-Y265 PolarHBondContact O-N 2.85Å; E263-L266 PolarHBondContact O-N 3.22Å; E263-T267 WeakPolarHBondContact O-CB 3.37Å; E263-T267 VanDerWaalsContact O-CG2 3.26Å; E263-T267 WeakPolarHBondContact O-CG2 3.36Å; E263-T267 PolarHBondContact O-N 3Å; E263-T267 PolarHBondContact O-OG1 3.4Å
264	D	41.2	Very low	45.6	Very low	112 Å²	112	102.7 Å²	102.7	60%	0.599	55%	0.546	S	S	*	.	H	α-helix	trans	-63.2	-31.8	176.6	-92.7	-9	0	0	0	112.9	K260 T267 R268	K260-D264 PolarHBondContact O-N 2.97Å; K260-D264 VanDerWaalsContact O-N 3.11Å; D264-T267 WeakPolarHBondContact CA-OG1 3.32Å; D264-T267 PolarHBondContact O-OG1 3.09Å; D264-R268 WeakPolarHBondContact O-CB 3.38Å
265	Y	36.1	Very low	47.7	Very low	167 Å²	167	97.9 Å²	97.9	66%	0.655	52%	0.523	S	S	*	.	H	α-helix	trans	-76.9	-35.5	174.3	-96.6	-85.5	0	0	0	113.4	L261 E262 E263	L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.47Å; L261-Y265 VanDerWaalsContact O-N 3.09Å; E262-Y265 PolarHBondContact O-N 2.91Å; E263-Y265 VanDerWaalsContact C-N 3.29Å; E263-Y265 PolarHBondContact O-N 2.85Å
266	L	41	Very low	50.5	Low	115 Å²	115	92.5 Å²	92.5	60%	0.602	49%	0.491	S	S	*	.	H	α-helix	trans	-72.1	-45.1	177.7	-78.9	165.2	0	0	0	112.1	E262 E263 R268 N269 A270	E262-L266 WeakPolarHBondContact O-CB 3.46Å; E262-L266 WeakPolarHBondContact O-CG 3.41Å; E262-L266 PolarHBondContact O-N 3.42Å; E263-L266 PolarHBondContact O-N 3.22Å; L266-R268 VanDerWaalsContact C-N 3.31Å; L266-R268 PolarHBondContact O-N 2.9Å; L266-N269 PolarHBondContact O-N 3.44Å; L266-A270 WeakPolarHBondContact O-CB 3.47Å; L266-A270 PolarHBondContact O-N 3.49Å
267	T	48.2	Very low	52.8	Low	32 Å²	32	96.4 Å²	96.4	20%	0.196	50%	0.495	C	S	.	.	H	α-helix	trans	-63	-33.7	-178.3	49.3	0	0	0	0	113.7	E263 D264 N269 L289	E263-T267 WeakPolarHBondContact O-CB 3.37Å; E263-T267 VanDerWaalsContact O-CG2 3.26Å; E263-T267 WeakPolarHBondContact O-CG2 3.36Å; E263-T267 PolarHBondContact O-N 3Å; E263-T267 PolarHBondContact O-OG1 3.4Å; D264-T267 WeakPolarHBondContact CA-OG1 3.32Å; D264-T267 PolarHBondContact O-OG1 3.09Å; T267-N269 VanDerWaalsContact C-N 3.3Å; T267-N269 PolarHBondContact O-N 3.21Å; T267-L289 WeakPolarHBondContact CB-O 3.49Å; T267-L289 WeakPolarHBondContact CG2-O 3.37Å
268	R	46.8	Very low	55.3	Low	158 Å²	158	96.4 Å²	96.4	60%	0.596	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.3	-176.8	-170	170.5	-175.4	161.6	3.4	114.9	D264 L266	D264-R268 WeakPolarHBondContact O-CB 3.38Å; L266-R268 VanDerWaalsContact C-N 3.31Å; L266-R268 PolarHBondContact O-N 2.9Å
269	N	48	Very low	57.8	Low	133 Å²	133	91.9 Å²	91.9	71%	0.711	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	10.5	-179.2	-69.7	-25.2	0	0	0	113.3	L266 T267	L266-N269 PolarHBondContact O-N 3.44Å; T267-N269 VanDerWaalsContact C-N 3.3Å; T267-N269 PolarHBondContact O-N 3.21Å
270	A	54.7	Low	60.3	Low	53 Å²	53	94.3 Å²	94.3	44%	0.438	48%	0.475	S	S	.	.			trans	-83.3	-14.9	-170.4	0	0	0	0	0	115.7	L266 L289	L266-A270 WeakPolarHBondContact O-CB 3.47Å; L266-A270 PolarHBondContact O-N 3.49Å; A270-L289 HydrophobicContact CB-CD1 3.88Å
271	L	70.8	Confident	62.6	Low	21 Å²	21	91.6 Å²	91.6	11%	0.11	47%	0.467	C	S	.	.	S	Bend	trans	-85.9	122.8	179.3	-173.1	77.3	0	0	0	111.1	I77 L79 T273 A287 L289 L327	I77-L271 HydrophobicContact CB-CD1 3.87Å; I77-L271 HydrophobicContact CG2-CD1 3.82Å; I77-L271 VanDerWaalsContact O-CD1 3.26Å; I77-L271 WeakPolarHBondContact O-CD1 3.39Å; L79-L271 HydrophobicContact CB-CD2 4.02Å; L79-L271 HydrophobicContact CD2-CD2 4.48Å; L271-T273 HydrophobicContact CD2-CG2 4.02Å; L271-T273 HydrophobicContact CG-CG2 4.34Å; L271-T273 PolarHBondContact O-N 3.1Å; L271-A287 HydrophobicContact CB-CB 4.41Å; L271-A287 HydrophobicContact CD2-CB 3.43Å; L271-A287 VanDerWaalsContact CD2-CB 3.43Å; L271-L289 HydrophobicContact CB-CD1 4.47Å; L271-L289 HydrophobicContact CB-CG 4.41Å; L271-L289 HydrophobicContact CD1-CD2 4.17Å; L271-L327 HydrophobicContact CD1-CD1 4.25Å; L271-L327 HydrophobicContact CD2-CD1 4.01Å
272	D	71.3	Confident	65.2	Low	45 Å²	45	87 Å²	87	24%	0.241	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-72.9	112.8	171.4	177.1	15.6	0	0	0	110.7	R78 L79 S274	R78-D272 WeakPolarHBondContact CA-O 3.43Å; R78-D272 HydrophobicContact CB-CB 4.39Å; R78-D272 WeakPolarHBondContact CD-OD2 3.46Å; R78-D272 HydrophobicContact CG-CB 3.99Å; R78-D272 IonicContact NH1-OD2 2.72Å; L79-D272 PolarHBondContact N-O 3.34Å; D272-S274 WeakPolarHBondContact OD1-CB 3.44Å; D272-S274 PolarHBondContact OD1-N 2.84Å; D272-S274 PolarHBondContact OD1-OG 3.28Å; D272-S274 PolarHBondContact OD2-OG 2.89Å
273	T	74.7	Confident	67.8	Low	68 Å²	68	83.8 Å²	83.8	42%	0.417	43%	0.428	S	S	.	.			trans	-109.6	11.1	175.6	56.9	0	0	0	0	112.8	L271 S275 Y276 L284	L271-T273 HydrophobicContact CD2-CG2 4.02Å; L271-T273 HydrophobicContact CG-CG2 4.34Å; L271-T273 PolarHBondContact O-N 3.1Å; T273-S275 PolarHBondContact O-N 3.21Å; T273-S275 VanDerWaalsContact O-N 3.1Å; T273-Y276 WeakPolarHBondContact O-CB 3.25Å; T273-Y276 PolarHBondContact O-N 2.75Å; T273-L284 HydrophobicContact CG2-CD2 4.46Å
274	S	75.3	Confident	70.1	Confident	101 Å²	101	79.4 Å²	79.4	71%	0.706	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.5	-178.8	62.8	0	0	0	0	114.3	D272	D272-S274 WeakPolarHBondContact OD1-CB 3.44Å; D272-S274 PolarHBondContact OD1-N 2.84Å; D272-S274 PolarHBondContact OD1-OG 3.28Å; D272-S274 PolarHBondContact OD2-OG 2.89Å
275	S	76.2	Confident	72.3	Confident	35 Å²	35	78.5 Å²	78.5	25%	0.245	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	17.7	177.3	60.8	0	0	0	0	113.7	T273 W277	T273-S275 PolarHBondContact O-N 3.21Å; T273-S275 VanDerWaalsContact O-N 3.1Å; S275-W277 VanDerWaalsContact O-CD1 3.31Å; S275-W277 PolarHBondContact O-NE1 3.25Å
276	Y	85.8	Confident	74.6	Confident	44 Å²	44	73.9 Å²	73.9	17%	0.173	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-77.4	126.5	-177.8	179	-112.8	0	0	0	112.6	L79 Q80 I82 T273 D278 L284	L79-Y276 HydrophobicContact CD2-CD2 4.09Å; L79-Y276 HydrophobicContact CD2-CE2 4.06Å; L79-Y276 HydrophobicContact CG-CD2 3.81Å; L79-Y276 HydrophobicContact CG-CE2 4.08Å; L79-Y276 WeakPolarHBondContact O-CA 3.36Å; Q80-Y276 CarbonylContact O-C 3.51Å; Q80-Y276 WeakPolarHBondContact O-CA 3.16Å; I82-Y276 HydrophobicContact CD1-CE2 4.44Å; I82-Y276 HydrophobicContact CG1-CE2 4.23Å; T273-Y276 WeakPolarHBondContact O-CB 3.25Å; T273-Y276 PolarHBondContact O-N 2.75Å; Y276-D278 WeakPolarHBondContact CE1-OD1 3.26Å; Y276-L284 HydrophobicContact CE1-CB 4.16Å; Y276-L284 HydrophobicContact CE1-CD2 4.48Å
277	W	86.6	Confident	76.7	Confident	186 Å²	186	69 Å²	69	71%	0.705	36%	0.36	S	S	*	.	B	Isolated β-bridge	trans	-101	122.4	172.7	-56.5	91.8	0	0	0	110.2	Q80 Q81 S275	Q80-W277 PolarHBondContact O-N 3.46Å; Q81-W277 HydrophobicContact CG-CB 4.37Å; S275-W277 VanDerWaalsContact O-CD1 3.31Å; S275-W277 PolarHBondContact O-NE1 3.25Å
278	D	84.2	Confident	78.4	Confident	99 Å²	99	69.5 Å²	69.5	53%	0.529	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-65.2	133.1	-175	-136.8	14	0	0	0	111.5	Y276 R334	Y276-D278 WeakPolarHBondContact CE1-OD1 3.26Å; D278-R334 IonicContact OD1-NH2 3.17Å; D278-R334 PolarHBondContact OD1-NH2 2.72Å; D278-R334 IonicContact OD2-CZ 3.39Å; D278-R334 IonicContact OD2-NH1 3.67Å; D278-R334 IonicContact OD2-NH2 2.81Å; D278-R334 PolarHBondContact OD2-NH2 2.87Å
279	S	86.6	Confident	80.3	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.042	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-79.7	150.7	-179.8	-163.3	0	0	0	0	111.6	I82 D281 W282 R334	I82-S279 VanDerWaalsContact O-CB 3.28Å; I82-S279 WeakPolarHBondContact O-CB 3.46Å; I82-S279 PolarHBondContact O-OG 3.38Å; S279-D281 VanDerWaalsContact C-N 3.3Å; S279-D281 PolarHBondContact O-N 3.31Å; S279-W282 WeakPolarHBondContact CB-O 3.32Å; S279-R334 PolarHBondContact O-NE 3.24Å; S279-R334 VanDerWaalsContact O-NE 3.1Å; S279-R334 PolarHBondContact O-NH2 2.7Å
280	T	86.5	Confident	81.9	Confident	116 Å²	116	57 Å²	57	71%	0.712	31%	0.308	S	S	*	.	S	Bend	trans	-65.3	-35.8	179.5	52.3	0	0	0	0	112	R334	T280-R334 VanDerWaalsContact O-CD 3.3Å; T280-R334 WeakPolarHBondContact O-CD 3.39Å
281	D	86.6	Confident	83.3	Confident	76 Å²	76	58.6 Å²	58.6	41%	0.406	30%	0.303	S	S	.	.	S	Bend	trans	-107.8	-22.7	-167.6	-65.4	23.1	0	0	0	111.6	S279 R334	S279-D281 VanDerWaalsContact C-N 3.3Å; S279-D281 PolarHBondContact O-N 3.31Å; D281-R334 PolarHBondContact O-N 3.32Å
282	W	91.1	Very high	83.6	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.3	-172.1	-67.9	100.1	0	0	0	112.4	L85 E87 Q183 S279 L331 R333	L85-W282 HydrophobicContact CB-CZ2 4.13Å; L85-W282 HydrophobicContact CD2-CH2 4.03Å; L85-W282 HydrophobicContact CD2-CZ2 3.74Å; L85-W282 HydrophobicContact CG-CZ2 4.36Å; E87-W282 WeakPolarHBondContact OE1-CZ2 3.37Å; Q183-W282 HydrophobicContact CB-CZ3 4.44Å; Q183-W282 HydrophobicContact CG-CH2 3.48Å; Q183-W282 VanDerWaalsContact CG-CH2 3.48Å; Q183-W282 HydrophobicContact CG-CZ2 4.49Å; Q183-W282 HydrophobicContact CG-CZ3 3.66Å; S279-W282 WeakPolarHBondContact CB-O 3.32Å; W282-L331 HydrophobicContact CE3-CB 3.78Å; W282-L331 HydrophobicContact CZ3-CB 4.21Å; W282-R333 HydrophobicContact CE3-CB 4.27Å; W282-R333 HydrophobicContact CH2-CB 4.14Å; W282-R333 VanDerWaalsContact CH2-NH2 3.29Å; W282-R333 VanDerWaalsContact CZ2-NH2 3.27Å; W282-R333 HydrophobicContact CZ3-CB 3.87Å
283	M	89.9	Confident	83.8	Confident	62 Å²	62	64.1 Å²	64.1	31%	0.305	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	169.4	-64.6	176.2	-60.2	0	0	109.2	K285 L331 Q332 R334	M283-K285 PolarHBondContact O-N 3.03Å; M283-L331 CarbonylContact O-C 3.57Å; M283-L331 WeakPolarHBondContact O-CA 3.47Å; M283-Q332 HydrophobicContact CB-CB 4.47Å; M283-Q332 HydrophobicContact CE-CB 4.16Å; M283-Q332 HydrophobicContact CE-CG 3.65Å; M283-Q332 PolarHBondContact N-O 2.88Å; M283-Q332 PolarHBondContact O-N 3.3Å; M283-R334 HydrophobicContact CE-CG 4.3Å; M283-R334 HydrophobicContact CG-CG 3.82Å; M283-R334 HydrophobicContact SD-CG 4.14Å; M283-R334 PolarHBondContact SD-NH1 3.39Å
284	L	90.2	Very high	83.4	Confident	35 Å²	35	63.8 Å²	63.8	18%	0.183	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.9	167.3	-179.3	66.8	0	0	0	108.5	L79 I82 T273 Y276 H286 L329 L331	L79-L284 HydrophobicContact CD2-CD2 3.7Å; I82-L284 HydrophobicContact CD1-CB 4.46Å; I82-L284 HydrophobicContact CD1-CD1 4.41Å; T273-L284 HydrophobicContact CG2-CD2 4.46Å; Y276-L284 HydrophobicContact CE1-CB 4.16Å; Y276-L284 HydrophobicContact CE1-CD2 4.48Å; L284-H286 WeakPolarHBondContact CD1-O 3.1Å; L284-L329 HydrophobicContact CD1-CD2 4.04Å; L284-L331 HydrophobicContact CD1-CD2 3.82Å
285	K	86.9	Confident	82.9	Confident	92 Å²	92	61.7 Å²	61.7	40%	0.4	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-48.3	173.3	-78.4	-173.8	166.7	176.7	0	111.5	M283 F330 Q332	M283-K285 PolarHBondContact O-N 3.03Å; K285-F330 HydrophobicContact CB-CB 4.42Å; K285-F330 WeakPolarHBondContact CB-O 3.23Å; K285-F330 PolarHBondContact N-O 2.93Å; K285-Q332 HydrophobicContact CD-CB 4.29Å; K285-Q332 HydrophobicContact CG-CB 4.16Å
286	H	84.7	Confident	82.2	Confident	70 Å²	70	61 Å²	61	32%	0.324	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	166.1	173.4	53.8	93.6	0	0	0	109.5	L284 F330	L284-H286 WeakPolarHBondContact CD1-O 3.1Å; H286-F330 AromaticContact CE1-CD1 3.67Å; H286-F330 AromaticContact CE1-CD2 3.23Å; H286-F330 WeakPolarHBondContact CE1-CD2 3.46Å; H286-F330 AromaticContact CE1-CE2 3.65Å; H286-F330 AromaticContact CE1-CG 3.24Å; H286-F330 WeakPolarHBondContact CE1-CG 3.49Å; H286-F330 AromaticContact ND1-CD2 3.36Å; H286-F330 WeakPolarHBondContact ND1-CD2 3.46Å; H286-F330 AromaticContact ND1-CE2 3.92Å; H286-F330 AromaticContact ND1-CG 3.72Å; H286-F330 AromaticContact NE2-CG 3.73Å; H286-F330 PolarHBondContact O-N 3.41Å
287	A	86.5	Confident	80.7	Confident	12 Å²	12	65.2 Å²	65.2	10%	0.099	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.6	167.5	0	0	0	0	0	109.5	L271 L327 K328 L329	L271-A287 HydrophobicContact CB-CB 4.41Å; L271-A287 HydrophobicContact CD2-CB 3.43Å; L271-A287 VanDerWaalsContact CD2-CB 3.43Å; A287-L327 HydrophobicContact CB-CD1 3.99Å; A287-K328 CarbonylContact C-O 3.5Å; A287-K328 WeakPolarHBondContact CA-O 3.39Å; A287-L329 HydrophobicContact CB-CD2 3.84Å
288	I	83	Confident	78.9	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.226	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.3	173.9	-54.5	179.7	0	0	0	107.8	K328 F330	I288-K328 HydrophobicContact CB-CB 4.46Å; I288-K328 PolarHBondContact N-O 2.89Å; I288-K328 PolarHBondContact O-N 3.16Å; I288-F330 HydrophobicContact CD1-CE2 3.75Å; I288-F330 HydrophobicContact CD1-CZ 4.22Å; I288-F330 HydrophobicContact CG1-CE2 4.05Å
289	L	86.2	Confident	77.3	Confident	6 Å²	6	60 Å²	60	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124	168.5	-66.4	-176.1	0	0	0	108.5	I77 F203 T267 A270 L271 L327	I77-L289 HydrophobicContact CD1-CD2 4.29Å; F203-L289 HydrophobicContact CD1-CB 4.36Å; F203-L289 HydrophobicContact CD1-CD1 3.86Å; F203-L289 HydrophobicContact CD1-CD2 4.35Å; F203-L289 HydrophobicContact CD1-CG 4.42Å; F203-L289 HydrophobicContact CD2-CB 4.05Å; F203-L289 HydrophobicContact CE1-CB 4.09Å; F203-L289 HydrophobicContact CE1-CD1 4.12Å; F203-L289 HydrophobicContact CE1-CD2 3.76Å; F203-L289 HydrophobicContact CE1-CG 4.21Å; F203-L289 HydrophobicContact CE2-CB 3.78Å; F203-L289 HydrophobicContact CG-CB 4.34Å; F203-L289 HydrophobicContact CG-CD1 4.18Å; F203-L289 HydrophobicContact CZ-CB 3.79Å; F203-L289 HydrophobicContact CZ-CD2 4.04Å; F203-L289 HydrophobicContact CZ-CG 4.37Å; T267-L289 WeakPolarHBondContact CB-O 3.49Å; T267-L289 WeakPolarHBondContact CG2-O 3.37Å; A270-L289 HydrophobicContact CB-CD1 3.88Å; L271-L289 HydrophobicContact CB-CD1 4.47Å; L271-L289 HydrophobicContact CB-CG 4.41Å; L271-L289 HydrophobicContact CD1-CD2 4.17Å; L289-L327 HydrophobicContact CD2-CB 4.01Å; L289-L327 HydrophobicContact CD2-CD1 3.79Å; L289-L327 HydrophobicContact CD2-CG 4.43Å
290	S	82.5	Confident	75.5	Confident	22 Å²	22	64.9 Å²	64.9	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.2	-172.6	57.3	0	0	0	0	110.9	F203 V326 K328	F203-S290 WeakPolarHBondContact CE2-O 3.47Å; S290-V326 PolarHBondContact N-O 2.91Å; S290-V326 PolarHBondContact O-N 3.45Å; S290-V326 PolarHBondContact OG-O 3.25Å; S290-K328 WeakPolarHBondContact OG-CE 3.5Å
291	Y	83.1	Confident	73.7	Confident	87 Å²	87	64.3 Å²	64.3	34%	0.341	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.5	174.4	-64.1	-94.1	0	0	0	109.5	F203 D324 L325	F203-Y291 HydrophobicContact CD2-CE1 4.23Å; F203-Y291 AromaticContact CD2-CE2 3.77Å; F203-Y291 HydrophobicContact CD2-CE2 3.77Å; F203-Y291 AromaticContact CD2-CZ 3.59Å; F203-Y291 HydrophobicContact CE2-CD2 4.34Å; F203-Y291 HydrophobicContact CE2-CE1 4.36Å; F203-Y291 HydrophobicContact CE2-CE2 4.03Å; F203-Y291 PolarHBondContact N-OH 2.91Å; F203-Y291 VanDerWaalsContact N-OH 3.14Å; Y291-D324 WeakPolarHBondContact CA-O 3.46Å; Y291-L325 HydrophobicContact CD1-CD2 3.56Å; Y291-L325 HydrophobicContact CE1-CD2 3.23Å
292	T	78.2	Confident	71.7	Confident	38 Å²	38	69.9 Å²	69.9	23%	0.233	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.3	167.1	55.2	0	0	0	0	110.9	D324 V326	T292-D324 PolarHBondContact N-O 3.37Å; T292-D324 PolarHBondContact O-N 2.94Å; T292-D324 WeakPolarHBondContact OG1-CB 3.18Å; T292-V326 HydrophobicContact CG2-CB 4.36Å; T292-V326 HydrophobicContact CG2-CG2 3.63Å; T292-V326 WeakPolarHBondContact OG1-CG2 3.38Å
293	Y	74.3	Confident	69.5	Low	144 Å²	144	78.1 Å²	78.1	57%	0.565	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.6	-176.5	-65.3	-79.2	0	0	0	110.1	R321 Q322 T323	Y293-R321 HydrophobicContact CD1-CB 3.85Å; Y293-R321 HydrophobicContact CG-CB 4.36Å; Y293-Q322 WeakPolarHBondContact CA-O 3.18Å; Y293-T323 HydrophobicContact CD1-CG2 4.21Å; Y293-T323 HydrophobicContact CE1-CG2 3.81Å
294	R	67.9	Low	67.4	Low	61 Å²	61	78.9 Å²	78.9	23%	0.23	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.7	175.6	-158.3	-170.7	-54.2	164.7	4.2	110.9	F135 R321 Q322 D324	F135-R294 VanDerWaalsContact CZ-NH2 3.27Å; R294-R321 WeakPolarHBondContact O-CA 3.5Å; R294-Q322 HydrophobicContact CB-CB 4.31Å; R294-Q322 PolarHBondContact N-O 3.24Å; R294-Q322 PolarHBondContact O-N 3.38Å; R294-D324 IonicContact CZ-OD1 3.38Å; R294-D324 IonicContact CZ-OD2 3.17Å; R294-D324 IonicContact NE-OD2 2.79Å; R294-D324 PolarHBondContact NE-OD2 3.39Å; R294-D324 IonicContact NH2-OD1 2.71Å; R294-D324 PolarHBondContact NH2-OD1 3.16Å; R294-D324 IonicContact NH2-OD2 2.71Å; R294-D324 PolarHBondContact NH2-OD2 2.8Å
295	S	63.6	Low	65.3	Low	56 Å²	56	84.1 Å²	84.1	39%	0.392	43%	0.431	S	S	.	.			trans	-67.4	134.1	161.8	154.6	0	0	0	0	109.6	D297	S295-D297 VanDerWaalsContact C-N 3.32Å; S295-D297 VanDerWaalsContact OG-CB 3.29Å; S295-D297 WeakPolarHBondContact OG-CB 2.97Å; S295-D297 PolarHBondContact OG-N 3.31Å; S295-D297 PolarHBondContact OG-OD2 2.87Å
296	T	61.1	Low	63.3	Low	20 Å²	20	84.8 Å²	84.8	12%	0.123	44%	0.442	C	S	.	.			trans	-88.2	4.2	173.4	49.1	0	0	0	0	113.2	T298 L299 S320 Q322	T296-T298 PolarHBondContact O-N 3.41Å; T296-L299 HydrophobicContact CG2-CD1 4.44Å; T296-L299 PolarHBondContact O-N 2.91Å; T296-S320 WeakPolarHBondContact CG2-O 3.46Å; T296-S320 PolarHBondContact OG1-O 3.39Å; T296-S320 PolarHBondContact OG1-OG 3.28Å; T296-Q322 HydrophobicContact CG2-CB 3.99Å
297	D	54.4	Low	61	Low	134 Å²	134	87.4 Å²	87.4	72%	0.717	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.8	-172.5	-59.7	-40.6	0	0	0	113	S295	S295-D297 VanDerWaalsContact C-N 3.32Å; S295-D297 VanDerWaalsContact OG-CB 3.29Å; S295-D297 WeakPolarHBondContact OG-CB 2.97Å; S295-D297 PolarHBondContact OG-N 3.31Å; S295-D297 PolarHBondContact OG-OD2 2.87Å
298	T	49.1	Very low	58.9	Low	115 Å²	115	93.5 Å²	93.5	71%	0.706	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-10.6	176.1	56.5	0	0	0	0	114.3	T296 T300	T296-T298 PolarHBondContact O-N 3.41Å; T298-T300 VanDerWaalsContact C-N 3.3Å; T298-T300 PolarHBondContact O-N 3.04Å; T298-T300 VanDerWaalsContact O-N 3.13Å
299	L	51.6	Low	56.8	Low	60 Å²	60	96 Å²	96	31%	0.314	52%	0.519	S	S	.	.			trans	-89.7	60.2	-178.3	-74.2	169.5	0	0	0	111.3	T296 V301	T296-L299 HydrophobicContact CG2-CD1 4.44Å; T296-L299 PolarHBondContact O-N 2.91Å; L299-V301 VanDerWaalsContact C-N 3.26Å; L299-V301 PolarHBondContact O-N 3.38Å
300	T	48.2	Very low	54.2	Low	109 Å²	109	103.5 Å²	103.5	67%	0.669	56%	0.56	S	S	*	*			trans	-80.5	-1.7	-179.3	55.1	0	0	0	0	114.3	T298 W302	T298-T300 VanDerWaalsContact C-N 3.3Å; T298-T300 PolarHBondContact O-N 3.04Å; T298-T300 VanDerWaalsContact O-N 3.13Å; T300-W302 PolarHBondContact O-N 2.95Å
301	V	48.7	Very low	52.2	Low	103 Å²	103	109 Å²	109	62%	0.624	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-37	-159	-163.8	0	0	0	0	113.8	L299	L299-V301 VanDerWaalsContact C-N 3.26Å; L299-V301 PolarHBondContact O-N 3.38Å
302	W	43.7	Very low	49.9	Very low	193 Å²	193	112.9 Å²	112.9	73%	0.731	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.2	69.3	178.6	-63.7	95.4	0	0	0	113.3	M193 T300 P304	M193-W302 HydrophobicContact SD-CG 4.21Å; T300-W302 PolarHBondContact O-N 2.95Å; W302-P304 WeakPolarHBondContact O-CD 3.32Å
303	K	46	Very low	48.1	Very low	178 Å²	178	118 Å²	118	77%	0.774	63%	0.632	S	S	*	*			trans	-77.1	114	154.4	-74.3	-170.8	177.6	-177.2	0	108.1	T305	K303-T305 PolarHBondContact O-N 2.98Å
304	P	46.1	Very low	46.4	Very low	78 Å²	78	119.9 Å²	119.9	51%	0.506	64%	0.639	S	S	.	*			trans	-65.1	124	178.2	26.2	-33.3	0	0	0	109.9	W198 W302 T306	W198-P304 HydrophobicContact CH2-CG 4.33Å; W198-P304 HydrophobicContact CZ2-CG 4.09Å; W302-P304 WeakPolarHBondContact O-CD 3.32Å; P304-T306 PolarHBondContact O-N 3.26Å
305	T	45	Very low	44.9	Very low	144 Å²	144	125 Å²	125	88%	0.883	67%	0.671	S	S	*	*			trans	-73.6	67.4	179.4	33.7	0	0	0	0	111.5	K303 S307	K303-T305 PolarHBondContact O-N 2.98Å; T305-S307 PolarHBondContact O-N 3.08Å; T305-S307 VanDerWaalsContact O-N 3.12Å
306	T	46.2	Very low	43.6	Very low	106 Å²	106	129.4 Å²	129.4	65%	0.65	69%	0.69	S	S	*	*			trans	-66.8	106.2	170.9	46.8	0	0	0	0	109.5	P304 I308	P304-T306 PolarHBondContact O-N 3.26Å; T306-I308 PolarHBondContact O-N 2.96Å
307	S	35.5	Very low	42.6	Very low	126 Å²	126	137.9 Å²	137.9	88%	0.881	73%	0.725	S	S	*	*			trans	-74.9	75.9	177.4	57.5	0	0	0	0	110.7	T305	T305-S307 PolarHBondContact O-N 3.08Å; T305-S307 VanDerWaalsContact O-N 3.12Å
308	I	42.5	Very low	42.1	Very low	140 Å²	140	139.3 Å²	139.3	72%	0.718	73%	0.732	S	S	*	*			trans	-119.4	138.6	176.8	-60.4	-179.1	0	0	0	109.3	T306	T306-I308 PolarHBondContact O-N 2.96Å
309	S	37.9	Very low	42	Very low	95 Å²	95	138.3 Å²	138.3	66%	0.664	72%	0.723	S	S	*	*			trans	-67.3	137.9	-164.8	53.2	0	0	0	0	115.5	I311	S309-I311 PolarHBondContact O-N 2.93Å
310	N	31.8	Very low	42	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	73%	0.725	S	S	*	*			trans	42.6	56.9	147	-64.1	-0.8	0	0	0	117.3
311	I	40.9	Very low	42.6	Very low	138 Å²	138	138.4 Å²	138.4	71%	0.708	71%	0.714	S	S	*	*			trans	-99.6	108	158.7	-57.8	-179.5	0	0	0	107.8	S309 I313	S309-I311 PolarHBondContact O-N 2.93Å; I311-I313 VanDerWaalsContact C-N 3.29Å; I311-I313 HydrophobicContact CG2-CG1 3.87Å; I311-I313 PolarHBondContact O-N 3.13Å
312	Q	34.3	Very low	43.6	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	69%	0.686	S	S	*	*			trans	-71.5	89.4	165.4	-76.7	-174.8	-28.1	0	0	108.5	Y314	Q312-Y314 PolarHBondContact O-N 3.06Å
313	I	42.3	Very low	45	Very low	146 Å²	146	125.6 Å²	125.6	75%	0.749	66%	0.657	S	S	*	*			trans	-68.9	99.5	167.1	-57.6	178	0	0	0	106.6	I311	I311-I313 VanDerWaalsContact C-N 3.29Å; I311-I313 HydrophobicContact CG2-CG1 3.87Å; I311-I313 PolarHBondContact O-N 3.13Å
314	Y	37.4	Very low	46.9	Very low	183 Å²	183	117.3 Å²	117.3	72%	0.718	62%	0.622	S	S	*	*			trans	-59.6	142.9	163.5	-88.2	-103.5	0	0	0	109.1	Q312 N316	Q312-Y314 PolarHBondContact O-N 3.06Å; Y314-N316 PolarHBondContact O-N 3.3Å
315	D	36.4	Very low	48.9	Very low	169 Å²	169	113.6 Å²	113.6	90%	0.904	60%	0.597	S	S	*	*			trans	-68.2	61.9	177	-78.2	-54.1	0	0	0	113	K317	D315-K317 PolarHBondContact O-N 3.25Å
316	N	37	Very low	51	Low	148 Å²	148	106.8 Å²	106.8	79%	0.791	56%	0.555	S	S	*	*			trans	-80.9	111.2	158.2	-90.6	-20.7	0	0	0	107.9	Y314 L318	Y314-N316 PolarHBondContact O-N 3.3Å; N316-L318 PolarHBondContact O-N 2.88Å
317	K	39.1	Very low	53.2	Low	198 Å²	198	101.7 Å²	101.7	86%	0.861	52%	0.524	S	S	*	.			trans	-67.5	61.8	-175.9	-167.3	-178.2	-178.6	179	0	112.5	D315 D319	D315-K317 PolarHBondContact O-N 3.25Å; K317-D319 PolarHBondContact O-N 3.41Å
318	L	44.2	Very low	55.8	Low	165 Å²	165	98 Å²	98	86%	0.864	49%	0.492	S	S	*	.			trans	-79.6	90.4	177.5	-158.7	77.4	0	0	0	109.1	N316 S320	N316-L318 PolarHBondContact O-N 2.88Å; L318-S320 PolarHBondContact O-N 3.16Å
319	D	47.5	Very low	58.1	Low	94 Å²	94	91.3 Å²	91.3	50%	0.503	46%	0.458	S	S	.	.			trans	-32.4	93.6	173.5	-101.7	-64.4	0	0	0	114	K317 R321	K317-D319 PolarHBondContact O-N 3.41Å; D319-R321 HydrophobicContact CB-CG 3.92Å; D319-R321 VanDerWaalsContact CG-NH2 3.34Å; D319-R321 PolarHBondContact O-N 3.34Å; D319-R321 VanDerWaalsContact OD1-CG 3.29Å; D319-R321 WeakPolarHBondContact OD1-CG 3.39Å; D319-R321 IonicContact OD1-CZ 3.85Å; D319-R321 IonicContact OD1-NE 2.68Å; D319-R321 PolarHBondContact OD1-NE 3.16Å; D319-R321 IonicContact OD1-NH2 3.61Å; D319-R321 IonicContact OD2-CZ 3.79Å; D319-R321 IonicContact OD2-NE 2.7Å; D319-R321 PolarHBondContact OD2-NE 2.85Å; D319-R321 IonicContact OD2-NH2 2.66Å; D319-R321 PolarHBondContact OD2-NH2 3.27Å
320	S	51.5	Low	60.7	Low	51 Å²	51	89.5 Å²	89.5	36%	0.357	44%	0.438	S	S	.	.			trans	-76.9	46	170.9	58.1	0	0	0	0	111.2	T296 L318 Q322	T296-S320 WeakPolarHBondContact CG2-O 3.46Å; T296-S320 PolarHBondContact OG1-O 3.39Å; T296-S320 PolarHBondContact OG1-OG 3.28Å; L318-S320 PolarHBondContact O-N 3.16Å; S320-Q322 PolarHBondContact O-N 3.19Å
321	R	60.8	Low	63.5	Low	120 Å²	120	81.7 Å²	81.7	45%	0.453	40%	0.397	S	S	.	.			trans	-63.3	119.5	-175.3	-71.3	176.7	-166.8	173.6	13.7	110.3	S196 Y293 R294 D319 T323	S196-R321 PolarHBondContact OG-O 2.94Å; Y293-R321 HydrophobicContact CD1-CB 3.85Å; Y293-R321 HydrophobicContact CG-CB 4.36Å; R294-R321 WeakPolarHBondContact O-CA 3.5Å; D319-R321 HydrophobicContact CB-CG 3.92Å; D319-R321 VanDerWaalsContact CG-NH2 3.34Å; D319-R321 PolarHBondContact O-N 3.34Å; D319-R321 VanDerWaalsContact OD1-CG 3.29Å; D319-R321 WeakPolarHBondContact OD1-CG 3.39Å; D319-R321 IonicContact OD1-CZ 3.85Å; D319-R321 IonicContact OD1-NE 2.68Å; D319-R321 PolarHBondContact OD1-NE 3.16Å; D319-R321 IonicContact OD1-NH2 3.61Å; D319-R321 IonicContact OD2-CZ 3.79Å; D319-R321 IonicContact OD2-NE 2.7Å; D319-R321 PolarHBondContact OD2-NE 2.85Å; D319-R321 IonicContact OD2-NH2 2.66Å; D319-R321 PolarHBondContact OD2-NH2 3.27Å; R321-T323 PolarHBondContact O-N 3.12Å
322	Q	68.8	Low	65.9	Low	4 Å²	4	76.6 Å²	76.6	2%	0.019	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.8	175.2	-159.7	-179.9	17.8	0	0	109.6	S191 Y194 S196 Y293 R294 T296 S320 D324	S191-Q322 PolarHBondContact O-NE2 3.44Å; Y194-Q322 PolarHBondContact O-NE2 2.68Å; S196-Q322 WeakPolarHBondContact OG-CA 3.41Å; Y293-Q322 WeakPolarHBondContact CA-O 3.18Å; R294-Q322 HydrophobicContact CB-CB 4.31Å; R294-Q322 PolarHBondContact N-O 3.24Å; R294-Q322 PolarHBondContact O-N 3.38Å; T296-Q322 HydrophobicContact CG2-CB 3.99Å; S320-Q322 PolarHBondContact O-N 3.19Å; Q322-D324 PolarHBondContact O-N 2.66Å
323	T	74.2	Confident	68.7	Low	23 Å²	23	68.8 Å²	68.8	14%	0.141	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	105.4	178.4	49.4	0	0	0	0	111.2	S196 Y293 R321	S196-T323 PolarHBondContact OG-N 3.33Å; S196-T323 PolarHBondContact OG-OG1 3.08Å; S196-T323 VanDerWaalsContact OG-OG1 3.06Å; Y293-T323 HydrophobicContact CD1-CG2 4.21Å; Y293-T323 HydrophobicContact CE1-CG2 3.81Å; R321-T323 PolarHBondContact O-N 3.12Å
324	D	84.8	Confident	71	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	142	172	-66.6	-43.8	0	0	0	110.6	F135 F189 Y291 T292 R294 Q322	F135-D324 WeakPolarHBondContact CE2-OD1 3.3Å; F189-D324 CarbonylContact O-C 3.59Å; F189-D324 WeakPolarHBondContact O-CA 3.49Å; Y291-D324 WeakPolarHBondContact CA-O 3.46Å; T292-D324 PolarHBondContact N-O 3.37Å; T292-D324 PolarHBondContact O-N 2.94Å; T292-D324 WeakPolarHBondContact OG1-CB 3.18Å; R294-D324 IonicContact CZ-OD1 3.38Å; R294-D324 IonicContact CZ-OD2 3.17Å; R294-D324 IonicContact NE-OD2 2.79Å; R294-D324 PolarHBondContact NE-OD2 3.39Å; R294-D324 IonicContact NH2-OD1 2.71Å; R294-D324 PolarHBondContact NH2-OD1 3.16Å; R294-D324 IonicContact NH2-OD2 2.71Å; R294-D324 PolarHBondContact NH2-OD2 2.8Å; Q322-D324 PolarHBondContact O-N 2.66Å
325	L	88.7	Confident	73.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.7	171.1	-58.9	-173.3	0	0	0	110	I75 F189 F203 Y291	I75-L325 HydrophobicContact CB-CD1 3.91Å; I75-L325 HydrophobicContact CD1-CD1 4.14Å; I75-L325 HydrophobicContact CG1-CD1 4.18Å; F189-L325 HydrophobicContact CB-CB 4.31Å; F189-L325 PolarHBondContact N-O 3.14Å; F189-L325 PolarHBondContact O-N 3.05Å; F203-L325 HydrophobicContact CD1-CD1 4.04Å; F203-L325 HydrophobicContact CD1-CD2 4.44Å; F203-L325 HydrophobicContact CD2-CD2 4.16Å; F203-L325 HydrophobicContact CE1-CB 3.8Å; F203-L325 HydrophobicContact CE1-CD1 3.89Å; F203-L325 HydrophobicContact CE1-CD2 4.2Å; F203-L325 HydrophobicContact CE1-CG 4.19Å; F203-L325 HydrophobicContact CE2-CB 4.42Å; F203-L325 HydrophobicContact CE2-CD2 3.89Å; F203-L325 HydrophobicContact CG-CD2 4.43Å; F203-L325 HydrophobicContact CZ-CB 3.64Å; F203-L325 HydrophobicContact CZ-CD1 4.39Å; F203-L325 HydrophobicContact CZ-CD2 3.92Å; F203-L325 HydrophobicContact CZ-CG 4.19Å; Y291-L325 HydrophobicContact CD1-CD2 3.56Å; Y291-L325 HydrophobicContact CE1-CD2 3.23Å
326	V	90.1	Very high	75.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.6	-177	-176.7	0	0	0	0	111.8	E186 I187 Q188 S290 T292 K328	E186-V326 HydrophobicContact CB-CG1 4Å; E186-V326 HydrophobicContact CG-CG1 4.38Å; E186-V326 WeakPolarHBondContact OE2-CG1 3.2Å; I187-V326 WeakPolarHBondContact O-CA 3.4Å; Q188-V326 HydrophobicContact CB-CG2 4.23Å; Q188-V326 HydrophobicContact CG-CG1 4.06Å; Q188-V326 HydrophobicContact CG-CG2 3.85Å; S290-V326 PolarHBondContact N-O 2.91Å; S290-V326 PolarHBondContact O-N 3.45Å; S290-V326 PolarHBondContact OG-O 3.25Å; T292-V326 HydrophobicContact CG2-CB 4.36Å; T292-V326 HydrophobicContact CG2-CG2 3.63Å; T292-V326 WeakPolarHBondContact OG1-CG2 3.38Å; V326-K328 HydrophobicContact CG1-CG 3.92Å
327	L	90.6	Very high	78.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.7	167.7	166.3	58.8	0	0	0	109	I77 L96 E186 I187 L271 A287 L289 L329	I77-L327 HydrophobicContact CG2-CD2 4.07Å; L96-L327 HydrophobicContact CD1-CD2 4.39Å; L96-L327 HydrophobicContact CD2-CD2 4.38Å; E186-L327 CarbonylContact C-O 3.57Å; E186-L327 WeakPolarHBondContact CA-O 3.4Å; I187-L327 HydrophobicContact CB-CB 4.41Å; I187-L327 HydrophobicContact CD1-CD2 4.38Å; I187-L327 PolarHBondContact N-O 3.06Å; I187-L327 PolarHBondContact O-N 2.88Å; L271-L327 HydrophobicContact CD1-CD1 4.25Å; L271-L327 HydrophobicContact CD2-CD1 4.01Å; A287-L327 HydrophobicContact CB-CD1 3.99Å; L289-L327 HydrophobicContact CD2-CB 4.01Å; L289-L327 HydrophobicContact CD2-CD1 3.79Å; L289-L327 HydrophobicContact CD2-CG 4.43Å; L327-L329 HydrophobicContact CD1-CD2 3.76Å; L327-L329 HydrophobicContact CD1-CG 4.28Å; L327-L329 HydrophobicContact CD2-CD2 4.27Å; L327-L329 HydrophobicContact CD2-CG 4.49Å; L327-L329 HydrophobicContact CG-CD2 4.03Å; L327-L329 HydrophobicContact CG-CG 4.09Å
328	K	90.6	Very high	80.8	Confident	48 Å²	48	47.2 Å²	47.2	21%	0.209	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.5	174.4	-49.9	-164.5	-178.2	-139.7	0	109.9	E186 A287 I288 S290 V326 F330	E186-K328 VanDerWaalsContact CD-NZ 3.34Å; E186-K328 HydrophobicContact CG-CD 4.32Å; E186-K328 HydrophobicContact CG-CG 4.03Å; E186-K328 WeakPolarHBondContact OE1-CD 3.44Å; E186-K328 VanDerWaalsContact OE1-CE 3.3Å; E186-K328 WeakPolarHBondContact OE1-CE 3.33Å; E186-K328 IonicContact OE1-NZ 2.73Å; E186-K328 PolarHBondContact OE1-NZ 3.43Å; E186-K328 IonicContact OE2-NZ 2.71Å; E186-K328 PolarHBondContact OE2-NZ 3.23Å; A287-K328 CarbonylContact C-O 3.5Å; A287-K328 WeakPolarHBondContact CA-O 3.39Å; I288-K328 HydrophobicContact CB-CB 4.46Å; I288-K328 PolarHBondContact N-O 2.89Å; I288-K328 PolarHBondContact O-N 3.16Å; S290-K328 WeakPolarHBondContact OG-CE 3.5Å; V326-K328 HydrophobicContact CG1-CG 3.92Å; K328-F330 HydrophobicContact CB-CE2 3.98Å
329	L	91.5	Very high	82.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.9	-174.1	-64.4	175.2	0	0	0	109.7	L79 L92 T94 C185 I187 L284 A287 L327 L331	L79-L329 HydrophobicContact CD2-CD2 3.91Å; L92-L329 HydrophobicContact CD2-CD1 3.91Å; T94-L329 HydrophobicContact CG2-CD1 4.01Å; C185-L329 PolarHBondContact N-O 2.96Å; C185-L329 PolarHBondContact O-N 3.47Å; I187-L329 HydrophobicContact CD1-CD1 4.08Å; L284-L329 HydrophobicContact CD1-CD2 4.04Å; A287-L329 HydrophobicContact CB-CD2 3.84Å; L327-L329 HydrophobicContact CD1-CD2 3.76Å; L327-L329 HydrophobicContact CD1-CG 4.28Å; L327-L329 HydrophobicContact CD2-CD2 4.27Å; L327-L329 HydrophobicContact CD2-CG 4.49Å; L327-L329 HydrophobicContact CG-CD2 4.03Å; L327-L329 HydrophobicContact CG-CG 4.09Å; L329-L331 HydrophobicContact CB-CD2 4.15Å
330	F	91.3	Very high	84.9	Confident	56 Å²	56	44.1 Å²	44.1	25%	0.246	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.3	-178.7	-68.2	-101.8	0	0	0	109.5	N184 K285 H286 I288 K328	N184-F330 HydrophobicContact CB-CD1 4.34Å; N184-F330 HydrophobicContact CB-CE1 4.23Å; K285-F330 HydrophobicContact CB-CB 4.42Å; K285-F330 WeakPolarHBondContact CB-O 3.23Å; K285-F330 PolarHBondContact N-O 2.93Å; H286-F330 AromaticContact CE1-CD1 3.67Å; H286-F330 AromaticContact CE1-CD2 3.23Å; H286-F330 WeakPolarHBondContact CE1-CD2 3.46Å; H286-F330 AromaticContact CE1-CE2 3.65Å; H286-F330 AromaticContact CE1-CG 3.24Å; H286-F330 WeakPolarHBondContact CE1-CG 3.49Å; H286-F330 AromaticContact ND1-CD2 3.36Å; H286-F330 WeakPolarHBondContact ND1-CD2 3.46Å; H286-F330 AromaticContact ND1-CE2 3.92Å; H286-F330 AromaticContact ND1-CG 3.72Å; H286-F330 AromaticContact NE2-CG 3.73Å; H286-F330 PolarHBondContact O-N 3.41Å; I288-F330 HydrophobicContact CD1-CE2 3.75Å; I288-F330 HydrophobicContact CD1-CZ 4.22Å; I288-F330 HydrophobicContact CG1-CE2 4.05Å; K328-F330 HydrophobicContact CB-CE2 3.98Å
331	L	91.6	Very high	86.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.7	-169.2	-48.3	-175.2	0	0	0	111.6	I82 L92 Q182 Q183 W282 M283 L284 L329	I82-L331 HydrophobicContact CD1-CD1 4.36Å; I82-L331 HydrophobicContact CD1-CD2 3.38Å; L92-L331 HydrophobicContact CD1-CD1 3.89Å; Q182-L331 CarbonylContact C-O 3.58Å; Q182-L331 VanDerWaalsContact CA-O 3.27Å; Q182-L331 WeakPolarHBondContact CA-O 3.32Å; Q183-L331 HydrophobicContact CB-CB 4.35Å; Q183-L331 PolarHBondContact N-O 3.37Å; Q183-L331 PolarHBondContact O-N 3.34Å; W282-L331 HydrophobicContact CE3-CB 3.78Å; W282-L331 HydrophobicContact CZ3-CB 4.21Å; M283-L331 CarbonylContact O-C 3.57Å; M283-L331 WeakPolarHBondContact O-CA 3.47Å; L284-L331 HydrophobicContact CD1-CD2 3.82Å; L329-L331 HydrophobicContact CB-CD2 4.15Å
332	Q	91.8	Very high	88	Confident	31 Å²	31	40.9 Å²	40.9	15%	0.145	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.6	176.8	176.4	76	77	0	0	109.7	F180 D181 Q182 M283 K285	F180-Q332 PolarHBondContact O-NE2 3.5Å; D181-Q332 PolarHBondContact O-NE2 2.87Å; Q182-Q332 VanDerWaalsContact CG-OE1 3.23Å; M283-Q332 HydrophobicContact CB-CB 4.47Å; M283-Q332 HydrophobicContact CE-CB 4.16Å; M283-Q332 HydrophobicContact CE-CG 3.65Å; M283-Q332 PolarHBondContact N-O 2.88Å; M283-Q332 PolarHBondContact O-N 3.3Å; K285-Q332 HydrophobicContact CD-CB 4.29Å; K285-Q332 HydrophobicContact CG-CB 4.16Å
333	R	92.2	Very high	88.8	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	141.2	178.3	-169.9	-178.9	-58.9	-79.8	-5.1	112	E87 P179 D181 W282 S335 Y338	E87-R333 IonicContact OE1-CZ 3.67Å; E87-R333 IonicContact OE1-NH1 3.72Å; E87-R333 PolarHBondContact OE1-NH1 3.45Å; E87-R333 IonicContact OE1-NH2 3.15Å; E87-R333 PolarHBondContact OE1-NH2 2.91Å; P179-R333 WeakPolarHBondContact O-CD 3.47Å; D181-R333 PolarHBondContact O-N 3.31Å; D181-R333 IonicContact OD1-CZ 2.66Å; D181-R333 IonicContact OD1-NE 3.07Å; D181-R333 PolarHBondContact OD1-NE 3.23Å; D181-R333 IonicContact OD1-NH2 3Å; D181-R333 IonicContact OD2-CZ 3.81Å; D181-R333 IonicContact OD2-NE 3.76Å; D181-R333 PolarHBondContact OD2-NE 2.86Å; D181-R333 IonicContact OD2-NH2 2.9Å; D181-R333 PolarHBondContact OD2-NH2 3.11Å; W282-R333 HydrophobicContact CE3-CB 4.27Å; W282-R333 HydrophobicContact CH2-CB 4.14Å; W282-R333 VanDerWaalsContact CH2-NH2 3.29Å; W282-R333 VanDerWaalsContact CZ2-NH2 3.27Å; W282-R333 HydrophobicContact CZ3-CB 3.87Å; R333-S335 PolarHBondContact O-N 3.09Å; R333-Y338 HydrophobicContact CG-CE2 4.14Å; R333-Y338 PolarHBondContact NH1-OH 3.43Å
334	R	90.8	Very high	89.4	Confident	82 Å²	82	43.3 Å²	43.3	31%	0.309	20%	0.195	S	C	.	.			trans	-83	79.9	165.9	-59.7	-160.4	-154.8	-110.5	6.9	110.5	D278 S279 T280 D281 M283 F336	D278-R334 IonicContact OD1-NH2 3.17Å; D278-R334 PolarHBondContact OD1-NH2 2.72Å; D278-R334 IonicContact OD2-CZ 3.39Å; D278-R334 IonicContact OD2-NH1 3.67Å; D278-R334 IonicContact OD2-NH2 2.81Å; D278-R334 PolarHBondContact OD2-NH2 2.87Å; S279-R334 PolarHBondContact O-NE 3.24Å; S279-R334 VanDerWaalsContact O-NE 3.1Å; S279-R334 PolarHBondContact O-NH2 2.7Å; T280-R334 VanDerWaalsContact O-CD 3.3Å; T280-R334 WeakPolarHBondContact O-CD 3.39Å; D281-R334 PolarHBondContact O-N 3.32Å; M283-R334 HydrophobicContact CE-CG 4.3Å; M283-R334 HydrophobicContact CG-CG 3.82Å; M283-R334 HydrophobicContact SD-CG 4.14Å; M283-R334 PolarHBondContact SD-NH1 3.39Å; R334-F336 PolarHBondContact O-N 3.37Å
335	S	87.9	Confident	89.7	Confident	16 Å²	16	44.8 Å²	44.8	11%	0.112	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-16.7	-170.9	-40.6	0	0	0	0	116.7	P179 F180 R333 F337 Y338 I339	P179-S335 WeakPolarHBondContact O-CB 3.48Å; P179-S335 PolarHBondContact O-OG 2.94Å; F180-S335 WeakPolarHBondContact CD1-OG 3.44Å; R333-S335 PolarHBondContact O-N 3.09Å; S335-F337 PolarHBondContact O-N 2.86Å; S335-Y338 PolarHBondContact O-N 3.08Å; S335-I339 WeakPolarHBondContact O-CG1 3.38Å; S335-I339 PolarHBondContact O-N 3.2Å
336	F	88.5	Confident	89.7	Confident	138 Å²	138	44.8 Å²	44.8	61%	0.605	21%	0.205	S	C	*	.	H	α-helix	trans	-52.6	-45.1	-170.3	-173.1	-94.2	0	0	0	113.9	R334 Y338 I339 W340	R334-F336 PolarHBondContact O-N 3.37Å; F336-Y338 VanDerWaalsContact C-N 3.33Å; F336-Y338 PolarHBondContact O-N 3.42Å; F336-I339 PolarHBondContact O-N 3.44Å; F336-W340 AromaticContact CD1-CD1 3.84Å; F336-W340 AromaticContact CD2-NE1 3.95Å; F336-W340 AromaticContact CE1-CD1 3.55Å; F336-W340 AromaticContact CE1-NE1 3.67Å; F336-W340 AromaticContact CE2-CD1 3.81Å; F336-W340 AromaticContact CE2-NE1 3.3Å; F336-W340 VanDerWaalsContact CE2-NE1 3.3Å; F336-W340 AromaticContact CZ-CD1 3.55Å; F336-W340 AromaticContact CZ-NE1 3.14Å; F336-W340 PolarHBondContact O-N 3.34Å
337	F	90.5	Very high	89.4	Confident	124 Å²	124	47.7 Å²	47.7	54%	0.544	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-43.5	178.3	176.5	-90.1	0	0	0	112.3	S335 N341	S335-F337 PolarHBondContact O-N 2.86Å; F337-N341 VanDerWaalsContact CD2-ND2 3.29Å; F337-N341 WeakPolarHBondContact CD2-ND2 3.46Å; F337-N341 WeakPolarHBondContact CE2-ND2 3.42Å; F337-N341 WeakPolarHBondContact CZ-ND2 3.2Å; F337-N341 WeakPolarHBondContact O-CB 3.4Å; F337-N341 PolarHBondContact O-N 3.02Å; F337-N341 PolarHBondContact O-ND2 3.15Å
338	Y	88.2	Confident	89.4	Confident	30 Å²	30	52.4 Å²	52.4	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-72.9	-32.6	-178.6	-55.9	-94.5	0	0	0	112	F178 P179 R333 S335 F336 I342 V343	F178-Y338 HydrophobicContact CE1-CD1 4.29Å; F178-Y338 HydrophobicContact CE2-CE1 4.19Å; F178-Y338 AromaticContact CZ-CD1 3.7Å; F178-Y338 HydrophobicContact CZ-CD1 3.7Å; F178-Y338 AromaticContact CZ-CE1 3.64Å; F178-Y338 HydrophobicContact CZ-CE1 3.64Å; P179-Y338 HydrophobicContact CB-CD1 4.48Å; P179-Y338 HydrophobicContact CB-CD2 4.24Å; P179-Y338 HydrophobicContact CB-CG 3.89Å; R333-Y338 HydrophobicContact CG-CE2 4.14Å; R333-Y338 PolarHBondContact NH1-OH 3.43Å; S335-Y338 PolarHBondContact O-N 3.08Å; F336-Y338 VanDerWaalsContact C-N 3.33Å; F336-Y338 PolarHBondContact O-N 3.42Å; Y338-I342 HydrophobicContact CD1-CD1 4.02Å; Y338-I342 WeakPolarHBondContact O-CA 3.27Å; Y338-I342 VanDerWaalsContact O-CB 3.3Å; Y338-I342 WeakPolarHBondContact O-CB 3.25Å; Y338-I342 PolarHBondContact O-N 3.03Å; Y338-V343 PolarHBondContact O-N 3.17Å; Y338-V343 VanDerWaalsContact O-N 3.17Å
339	I	87.7	Confident	89.4	Confident	53 Å²	53	51.1 Å²	51.1	27%	0.272	24%	0.24	S	C	.	.	I	π-helix	trans	-62.3	-49.3	174	-65	166.2	0	0	0	110.3	F180 S335 F336 V343 I344	F180-I339 HydrophobicContact CE1-CD1 3.88Å; F180-I339 HydrophobicContact CZ-CD1 3.9Å; F180-I339 HydrophobicContact CZ-CG1 4.13Å; S335-I339 WeakPolarHBondContact O-CG1 3.38Å; S335-I339 PolarHBondContact O-N 3.2Å; F336-I339 PolarHBondContact O-N 3.44Å; I339-V343 WeakPolarHBondContact O-CB 3.49Å; I339-V343 PolarHBondContact O-N 3.12Å; I339-I344 PolarHBondContact O-N 3.33Å
340	W	90.5	Very high	89.1	Confident	142 Å²	142	52.2 Å²	52.2	54%	0.538	25%	0.247	S	C	.	.	I	π-helix	trans	-71.7	-40.4	-178.9	-78	97.3	0	0	0	113.7	F336 I344 P345	F336-W340 AromaticContact CD1-CD1 3.84Å; F336-W340 AromaticContact CD2-NE1 3.95Å; F336-W340 AromaticContact CE1-CD1 3.55Å; F336-W340 AromaticContact CE1-NE1 3.67Å; F336-W340 AromaticContact CE2-CD1 3.81Å; F336-W340 AromaticContact CE2-NE1 3.3Å; F336-W340 VanDerWaalsContact CE2-NE1 3.3Å; F336-W340 AromaticContact CZ-CD1 3.55Å; F336-W340 AromaticContact CZ-NE1 3.14Å; F336-W340 PolarHBondContact O-N 3.34Å; W340-I344 HydrophobicContact CD2-CD1 3.83Å; W340-I344 HydrophobicContact CE3-CD1 3.55Å; W340-I344 HydrophobicContact CG-CD1 4.44Å; W340-I344 HydrophobicContact CH2-CD1 4.3Å; W340-I344 HydrophobicContact CZ3-CD1 3.81Å; W340-P345 VanDerWaalsContact O-CD 3.28Å; W340-P345 WeakPolarHBondContact O-CD 3.4Å
341	N	89.8	Confident	88.8	Confident	85 Å²	85	53.9 Å²	53.9	46%	0.455	26%	0.258	S	S	.	.	I	π-helix	trans	-94.7	-14.5	-172.6	-64.9	-45	0	0	0	115	F337	F337-N341 VanDerWaalsContact CD2-ND2 3.29Å; F337-N341 WeakPolarHBondContact CD2-ND2 3.46Å; F337-N341 WeakPolarHBondContact CE2-ND2 3.42Å; F337-N341 WeakPolarHBondContact CZ-ND2 3.2Å; F337-N341 WeakPolarHBondContact O-CB 3.4Å; F337-N341 PolarHBondContact O-N 3.02Å; F337-N341 PolarHBondContact O-ND2 3.15Å
342	I	87.6	Confident	88.7	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.092	28%	0.275	C	S	.	.	I	π-helix	trans	-120.1	-59.3	177.1	-50.9	-179	0	0	0	110.4	Y338 I344 P345 C346 L383 I384	Y338-I342 HydrophobicContact CD1-CD1 4.02Å; Y338-I342 WeakPolarHBondContact O-CA 3.27Å; Y338-I342 VanDerWaalsContact O-CB 3.3Å; Y338-I342 WeakPolarHBondContact O-CB 3.25Å; Y338-I342 PolarHBondContact O-N 3.03Å; I342-I344 PolarHBondContact O-N 3.49Å; I342-P345 WeakPolarHBondContact O-CD 3.48Å; I342-C346 WeakPolarHBondContact O-CB 3.27Å; I342-C346 PolarHBondContact O-N 2.85Å; I342-C346 VanDerWaalsContact O-N 3.11Å; I342-C346 PolarHBondContact O-SG 3Å; I342-L383 HydrophobicContact CD1-CD2 4.22Å; I342-L383 HydrophobicContact CG1-CD2 4.49Å; I342-I384 HydrophobicContact CG2-CD1 4.14Å; I342-I384 HydrophobicContact CG2-CG1 4.44Å
343	V	85.4	Confident	88.4	Confident	20 Å²	20	55.8 Å²	55.8	12%	0.121	27%	0.269	C	S	.	.	I	π-helix	trans	-65.2	-46.8	-169.4	-175.9	0	0	0	0	112.1	Y338 I339 C346 I347	Y338-V343 PolarHBondContact O-N 3.17Å; Y338-V343 VanDerWaalsContact O-N 3.17Å; I339-V343 WeakPolarHBondContact O-CB 3.49Å; I339-V343 PolarHBondContact O-N 3.12Å; V343-C346 PolarHBondContact O-N 3Å; V343-I347 HydrophobicContact CG1-CD1 3.92Å; V343-I347 WeakPolarHBondContact O-CG1 3.33Å; V343-I347 PolarHBondContact O-N 3.29Å
344	I	88.2	Confident	88	Confident	57 Å²	57	57.7 Å²	57.7	29%	0.292	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-49.9	-180	-69.6	176.3	0	0	0	112.3	I339 W340 I342 C346 I347 L348	I339-I344 PolarHBondContact O-N 3.33Å; W340-I344 HydrophobicContact CD2-CD1 3.83Å; W340-I344 HydrophobicContact CE3-CD1 3.55Å; W340-I344 HydrophobicContact CG-CD1 4.44Å; W340-I344 HydrophobicContact CH2-CD1 4.3Å; W340-I344 HydrophobicContact CZ3-CD1 3.81Å; I342-I344 PolarHBondContact O-N 3.49Å; I344-C346 VanDerWaalsContact C-N 3.27Å; I344-C346 PolarHBondContact O-N 3.39Å; I344-I347 PolarHBondContact O-N 3.44Å; I344-I347 VanDerWaalsContact O-N 3.17Å; I344-L348 HydrophobicContact CG2-CD1 4.14Å; I344-L348 WeakPolarHBondContact O-CG 3.25Å; I344-L348 PolarHBondContact O-N 3.45Å
345	P	90.8	Very high	87.8	Confident	36 Å²	36	58 Å²	58	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-54.5	-39.4	172.5	-30.3	36.3	0	0	0	114.1	W340 I342 L348 L349 F380	W340-P345 VanDerWaalsContact O-CD 3.28Å; W340-P345 WeakPolarHBondContact O-CD 3.4Å; I342-P345 WeakPolarHBondContact O-CD 3.48Å; P345-L348 PolarHBondContact O-N 2.61Å; P345-L349 WeakPolarHBondContact O-CG 3.18Å; P345-L349 PolarHBondContact O-N 3.21Å; P345-F380 HydrophobicContact CB-CE1 4.14Å; P345-F380 HydrophobicContact CB-CE2 4.34Å; P345-F380 HydrophobicContact CB-CZ 3.68Å
346	C	87.7	Confident	87.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-36	178.7	-63.2	0	0	0	0	112.5	I342 V343 I344 L349 T350 Y401 M402	I342-C346 WeakPolarHBondContact O-CB 3.27Å; I342-C346 PolarHBondContact O-N 2.85Å; I342-C346 VanDerWaalsContact O-N 3.11Å; I342-C346 PolarHBondContact O-SG 3Å; V343-C346 PolarHBondContact O-N 3Å; I344-C346 VanDerWaalsContact C-N 3.27Å; I344-C346 PolarHBondContact O-N 3.39Å; C346-L349 PolarHBondContact O-N 3.48Å; C346-T350 PolarHBondContact O-N 3.42Å; C346-Y401 HydrophobicContact CB-CE1 4.24Å; C346-M402 HydrophobicContact CB-CE 4.45Å; C346-M402 HydrophobicContact CB-SD 3.86Å; C346-M402 WeakPolarHBondContact SG-CE 3.32Å; C346-M402 PolarHBondContact SG-SD 3.24Å
347	I	85	Confident	87.5	Confident	61 Å²	61	51 Å²	51	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-41.7	171.6	-67.5	167.7	0	0	0	110.7	V343 I344 L349 T350 L351	V343-I347 HydrophobicContact CG1-CD1 3.92Å; V343-I347 WeakPolarHBondContact O-CG1 3.33Å; V343-I347 PolarHBondContact O-N 3.29Å; I344-I347 PolarHBondContact O-N 3.44Å; I344-I347 VanDerWaalsContact O-N 3.17Å; I347-L349 VanDerWaalsContact C-N 3.32Å; I347-L349 PolarHBondContact O-N 3.19Å; I347-T350 PolarHBondContact O-N 3.26Å; I347-T350 PolarHBondContact O-OG1 3.49Å; I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 3.17Å
348	L	90.1	Very high	87.3	Confident	99 Å²	99	53.7 Å²	53.7	52%	0.518	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-37.6	176.2	-67.4	172	0	0	0	112	I344 P345 L351 L352	I344-L348 HydrophobicContact CG2-CD1 4.14Å; I344-L348 WeakPolarHBondContact O-CG 3.25Å; I344-L348 PolarHBondContact O-N 3.45Å; P345-L348 PolarHBondContact O-N 2.61Å; L348-L351 PolarHBondContact O-N 3.19Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.47Å
349	L	90.4	Very high	87.2	Confident	20 Å²	20	53.4 Å²	53.4	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-37.4	172.8	-72.1	174.8	0	0	0	112.9	P345 C346 I347 L351 L352 T353 V373 A376 F377 F380	P345-L349 WeakPolarHBondContact O-CG 3.18Å; P345-L349 PolarHBondContact O-N 3.21Å; C346-L349 PolarHBondContact O-N 3.48Å; I347-L349 VanDerWaalsContact C-N 3.32Å; I347-L349 PolarHBondContact O-N 3.19Å; L349-L351 VanDerWaalsContact C-N 3.33Å; L349-L352 HydrophobicContact CD2-CD1 4.12Å; L349-L352 PolarHBondContact O-N 2.97Å; L349-T353 WeakPolarHBondContact O-CG2 3.39Å; L349-T353 PolarHBondContact O-N 3.07Å; L349-T353 VanDerWaalsContact O-N 3.14Å; L349-V373 HydrophobicContact CB-CG1 4.44Å; L349-V373 HydrophobicContact CD2-CG1 4.28Å; L349-A376 HydrophobicContact CD1-CB 3.83Å; L349-A376 HydrophobicContact CD2-CB 3.72Å; L349-A376 HydrophobicContact CG-CB 4.47Å; L349-F377 HydrophobicContact CB-CE1 3.72Å; L349-F377 HydrophobicContact CB-CE2 3.84Å; L349-F377 HydrophobicContact CB-CZ 3.33Å; L349-F377 HydrophobicContact CD1-CD1 4.2Å; L349-F377 HydrophobicContact CD1-CE1 4.13Å; L349-F377 HydrophobicContact CD1-CZ 4.43Å; L349-F380 HydrophobicContact CD1-CD2 3.64Å; L349-F380 HydrophobicContact CD1-CE2 3.71Å
350	T	85.8	Confident	87.1	Confident	23 Å²	23	54.9 Å²	54.9	14%	0.141	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-35.3	174.1	56.6	0	0	0	0	111.4	C346 I347 L352 T353 L354 F377 V405	C346-T350 PolarHBondContact O-N 3.42Å; I347-T350 PolarHBondContact O-N 3.26Å; I347-T350 PolarHBondContact O-OG1 3.49Å; T350-L352 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3.45Å; T350-T353 PolarHBondContact O-N 3.34Å; T350-T353 PolarHBondContact O-OG1 3.43Å; T350-L354 PolarHBondContact O-N 3.14Å; T350-F377 HydrophobicContact CG2-CE1 4.34Å; T350-F377 HydrophobicContact CG2-CZ 3.74Å; T350-V405 HydrophobicContact CG2-CG1 3.81Å; T350-V405 HydrophobicContact CG2-CG2 4.11Å
351	L	84.7	Confident	86.8	Confident	92 Å²	92	49.1 Å²	49.1	48%	0.482	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-36	171	-65	176.5	0	0	0	112.6	I347 L348 L349 T353 L354	I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 3.17Å; L348-L351 PolarHBondContact O-N 3.19Å; L349-L351 VanDerWaalsContact C-N 3.33Å; L351-T353 VanDerWaalsContact C-N 3.31Å; L351-T353 PolarHBondContact O-N 2.99Å; L351-L354 HydrophobicContact CD2-CD1 4.06Å; L351-L354 WeakPolarHBondContact O-CB 3.45Å; L351-L354 PolarHBondContact O-N 2.89Å
352	L	88.9	Confident	86.4	Confident	70 Å²	70	50.5 Å²	50.5	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-31.9	173.8	-75.6	162	0	0	0	112.8	L348 L349 T350 L354 I355 T356 V373	L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.47Å; L349-L352 HydrophobicContact CD2-CD1 4.12Å; L349-L352 PolarHBondContact O-N 2.97Å; T350-L352 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3.45Å; L352-L354 VanDerWaalsContact C-N 3.31Å; L352-L354 PolarHBondContact O-N 2.9Å; L352-I355 HydrophobicContact CD2-CD1 4.28Å; L352-I355 WeakPolarHBondContact O-CB 3.28Å; L352-I355 PolarHBondContact O-N 3.14Å; L352-T356 PolarHBondContact O-N 3.03Å; L352-V373 HydrophobicContact CB-CG2 4.05Å
353	T	86.1	Confident	86.2	Confident	2 Å²	2	52 Å²	52	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-29.8	175.3	66.4	0	0	0	0	113.6	L349 T350 L351 I355 T356 V373 F377 T409 F651	L349-T353 WeakPolarHBondContact O-CG2 3.39Å; L349-T353 PolarHBondContact O-N 3.07Å; L349-T353 VanDerWaalsContact O-N 3.14Å; T350-T353 PolarHBondContact O-N 3.34Å; T350-T353 PolarHBondContact O-OG1 3.43Å; L351-T353 VanDerWaalsContact C-N 3.31Å; L351-T353 PolarHBondContact O-N 2.99Å; T353-I355 VanDerWaalsContact C-N 3.28Å; T353-I355 PolarHBondContact O-N 3.37Å; T353-T356 WeakPolarHBondContact O-CB 3.44Å; T353-T356 PolarHBondContact O-N 3.36Å; T353-T356 PolarHBondContact O-OG1 3.34Å; T353-V373 HydrophobicContact CG2-CB 4.43Å; T353-V373 HydrophobicContact CG2-CG1 3.54Å; T353-F377 HydrophobicContact CG2-CE2 3.96Å; T353-T409 HydrophobicContact CG2-CG2 3.56Å; T353-F651 VanDerWaalsContact OG1-CE1 3.32Å; T353-F651 WeakPolarHBondContact OG1-CE1 3.33Å; T353-F651 WeakPolarHBondContact OG1-CZ 3.2Å
354	L	84.3	Confident	86.1	Confident	43 Å²	43	53.4 Å²	53.4	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-34.1	174.3	-66.8	171.8	0	0	0	111.2	T350 L351 L352 T356 F357 F648 F651 I652	T350-L354 PolarHBondContact O-N 3.14Å; L351-L354 HydrophobicContact CD2-CD1 4.06Å; L351-L354 WeakPolarHBondContact O-CB 3.45Å; L351-L354 PolarHBondContact O-N 2.89Å; L352-L354 VanDerWaalsContact C-N 3.31Å; L352-L354 PolarHBondContact O-N 2.9Å; L354-T356 VanDerWaalsContact C-N 3.3Å; L354-T356 PolarHBondContact O-N 3.04Å; L354-F357 PolarHBondContact O-N 2.99Å; L354-F648 HydrophobicContact CB-CE2 4.12Å; L354-F648 HydrophobicContact CD2-CD2 4.29Å; L354-F648 HydrophobicContact CD2-CE2 3.84Å; L354-F651 HydrophobicContact CD2-CD1 3.49Å; L354-F651 VanDerWaalsContact CD2-CD1 3.49Å; L354-F651 HydrophobicContact CD2-CE1 3.64Å; L354-F651 HydrophobicContact CG-CD1 4.47Å; L354-F651 HydrophobicContact CG-CE1 4.15Å; L354-I652 HydrophobicContact CD2-CD1 4.32Å; L354-I652 HydrophobicContact CD2-CG1 3.62Å
355	I	85.9	Confident	86.1	Confident	89 Å²	89	56.1 Å²	56.1	46%	0.456	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-30.7	178.6	-65.7	169.1	0	0	0	111.2	L352 T353 F357 W358 T359 L369	L352-I355 HydrophobicContact CD2-CD1 4.28Å; L352-I355 WeakPolarHBondContact O-CB 3.28Å; L352-I355 PolarHBondContact O-N 3.14Å; T353-I355 VanDerWaalsContact C-N 3.28Å; T353-I355 PolarHBondContact O-N 3.37Å; I355-F357 PolarHBondContact O-N 3.21Å; I355-W358 WeakPolarHBondContact O-CA 3.38Å; I355-W358 WeakPolarHBondContact O-CB 3.43Å; I355-W358 PolarHBondContact O-N 2.98Å; I355-T359 PolarHBondContact O-N 3.31Å; I355-T359 PolarHBondContact O-OG1 2.88Å; I355-L369 HydrophobicContact CG2-CD2 4.18Å
356	T	85.4	Confident	86	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-32.9	174	-48.5	0	0	0	0	113.3	L352 T353 L354 K366	L352-T356 PolarHBondContact O-N 3.03Å; T353-T356 WeakPolarHBondContact O-CB 3.44Å; T353-T356 PolarHBondContact O-N 3.36Å; T353-T356 PolarHBondContact O-OG1 3.34Å; L354-T356 VanDerWaalsContact C-N 3.3Å; L354-T356 PolarHBondContact O-N 3.04Å; T356-K366 HydrophobicContact CG2-CG 4.16Å; T356-K366 WeakPolarHBondContact CG2-O 3.45Å; T356-K366 WeakPolarHBondContact O-CE 3.43Å; T356-K366 PolarHBondContact O-NZ 3.12Å
357	F	85.6	Confident	86.1	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.018	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.6	174.3	-65.4	-81.2	0	0	0	114.2	L354 I355 T412 V415 L647 F648 F651	L354-F357 PolarHBondContact O-N 2.99Å; I355-F357 PolarHBondContact O-N 3.21Å; F357-T412 HydrophobicContact CE2-CG2 3.78Å; F357-T412 HydrophobicContact CZ-CG2 3.55Å; F357-V415 HydrophobicContact CE1-CG1 4.27Å; F357-L647 HydrophobicContact CE1-CB 3.98Å; F357-F648 HydrophobicContact CB-CB 3.82Å; F357-F648 HydrophobicContact CB-CD2 3.44Å; F357-F648 VanDerWaalsContact CB-CD2 3.44Å; F357-F648 HydrophobicContact CB-CE2 4.27Å; F357-F648 HydrophobicContact CB-CG 3.95Å; F357-F648 HydrophobicContact CD1-CB 4.09Å; F357-F648 AromaticContact CD2-CD2 3.93Å; F357-F648 HydrophobicContact CD2-CD2 3.93Å; F357-F648 HydrophobicContact CG-CB 3.93Å; F357-F648 AromaticContact CG-CD2 3.87Å; F357-F648 HydrophobicContact CG-CD2 3.87Å; F357-F648 HydrophobicContact CG-CG 4.37Å; F357-F651 HydrophobicContact CE2-CB 3.8Å; F357-F651 HydrophobicContact CE2-CD1 4.21Å; F357-F651 AromaticContact CE2-CD2 3.91Å; F357-F651 HydrophobicContact CE2-CD2 3.91Å; F357-F651 AromaticContact CE2-CG 3.69Å; F357-F651 HydrophobicContact CE2-CG 3.69Å; F357-F651 HydrophobicContact CZ-CB 3.97Å; F357-F651 HydrophobicContact CZ-CD2 4.28Å; F357-F651 HydrophobicContact CZ-CG 4.22Å
358	W	84.6	Confident	86.4	Confident	181 Å²	181	56.7 Å²	56.7	69%	0.686	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-31.3	172.6	-155.2	-65.1	0	0	0	111.6	I355	I355-W358 WeakPolarHBondContact O-CA 3.38Å; I355-W358 WeakPolarHBondContact O-CB 3.43Å; I355-W358 PolarHBondContact O-N 2.98Å
359	T	86.7	Confident	86.4	Confident	24 Å²	24	54.1 Å²	54.1	15%	0.147	30%	0.296	C	S	.	.	S	Bend	trans	-56	122	176.5	-60.7	0	0	0	0	111.2	I355 S363 K366	I355-T359 PolarHBondContact O-N 3.31Å; I355-T359 PolarHBondContact O-OG1 2.88Å; T359-S363 VanDerWaalsContact CG2-OG 3.26Å; T359-S363 WeakPolarHBondContact CG2-OG 3.41Å; T359-K366 HydrophobicContact CG2-CB 3.99Å
360	P	85.4	Confident	86.3	Confident	84 Å²	84	53.4 Å²	53.4	55%	0.545	29%	0.293	S	S	.	.			trans	-70.2	139.7	-176.9	28.4	-34.3	0	0	0	111.4	N362 S363	P360-N362 PolarHBondContact O-N 3.48Å; P360-N362 VanDerWaalsContact O-N 3.08Å; P360-S363 WeakPolarHBondContact O-CB 3.41Å; P360-S363 PolarHBondContact O-N 3.29Å; P360-S363 PolarHBondContact O-OG 3.46Å
361	I	84.3	Confident	86.6	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.108	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-50.7	-39.7	-177.3	-57.7	165.9	0	0	0	112	S363 V419 I420 D423 A640	I361-S363 PolarHBondContact O-N 2.86Å; I361-S363 VanDerWaalsContact O-N 3.07Å; I361-V419 HydrophobicContact CD1-CG1 3.52Å; I361-V419 HydrophobicContact CG1-CG1 3.88Å; I361-I420 HydrophobicContact CG2-CG1 4.1Å; I361-D423 HydrophobicContact CG2-CB 4.03Å; I361-A640 HydrophobicContact CD1-CB 3.73Å
362	N	81.4	Confident	87	Confident	114 Å²	114	55 Å²	55	61%	0.61	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-65.6	-4.3	-179.6	-62.9	101	0	0	0	115.5	P360 K637	P360-N362 PolarHBondContact O-N 3.48Å; P360-N362 VanDerWaalsContact O-N 3.08Å; N362-K637 WeakPolarHBondContact OD1-CE 3.49Å
363	S	83.5	Confident	87.1	Confident	50 Å²	50	52.1 Å²	52.1	35%	0.35	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-86.7	-14.8	-178.7	73.5	0	0	0	0	115	T359 P360 I361 E365	T359-S363 VanDerWaalsContact CG2-OG 3.26Å; T359-S363 WeakPolarHBondContact CG2-OG 3.41Å; P360-S363 WeakPolarHBondContact O-CB 3.41Å; P360-S363 PolarHBondContact O-N 3.29Å; P360-S363 PolarHBondContact O-OG 3.46Å; I361-S363 PolarHBondContact O-N 2.86Å; I361-S363 VanDerWaalsContact O-N 3.07Å; S363-E365 PolarHBondContact O-N 2.88Å
364	G	83.2	Confident	87.3	Confident	50 Å²	50	55 Å²	55	52%	0.515	30%	0.304	S	S	.	.	S	Bend	trans	73.1	-45.1	-169.8	0	0	0	0	0	114	K366	G364-K366 PolarHBondContact O-N 3.28Å
365	E	88.1	Confident	87.7	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-9.9	-174.3	-63.1	-50.6	145.3	0	0	116.7	S363 V367 T368 L369	S363-E365 PolarHBondContact O-N 2.88Å; E365-V367 VanDerWaalsContact C-N 3.32Å; E365-V367 PolarHBondContact O-N 2.99Å; E365-T368 WeakPolarHBondContact O-CB 3.42Å; E365-T368 PolarHBondContact O-N 3.43Å; E365-T368 VanDerWaalsContact OE2-CB 3.27Å; E365-T368 WeakPolarHBondContact OE2-CB 3.42Å; E365-T368 PolarHBondContact OE2-OG1 3.44Å; E365-L369 WeakPolarHBondContact O-CB 3.29Å; E365-L369 PolarHBondContact O-N 3.06Å
366	K	88.5	Confident	88	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-40.3	-179.6	-175.9	166.1	-177	139.4	0	112.9	T356 T359 G364 G370 C416 D644	T356-K366 HydrophobicContact CG2-CG 4.16Å; T356-K366 WeakPolarHBondContact CG2-O 3.45Å; T356-K366 WeakPolarHBondContact O-CE 3.43Å; T356-K366 PolarHBondContact O-NZ 3.12Å; T359-K366 HydrophobicContact CG2-CB 3.99Å; G364-K366 PolarHBondContact O-N 3.28Å; K366-G370 PolarHBondContact O-N 3.49Å; K366-C416 VanDerWaalsContact CE-SG 3.51Å; K366-C416 HydrophobicContact CG-CB 4.45Å; K366-D644 IonicContact NZ-OD1 3.21Å; K366-D644 PolarHBondContact NZ-OD1 2.97Å; K366-D644 IonicContact NZ-OD2 2.74Å; K366-D644 PolarHBondContact NZ-OD2 3.33Å
367	V	89.5	Confident	88.2	Confident	40 Å²	40	55.2 Å²	55.2	24%	0.242	31%	0.309	C	S	.	.	H	α-helix	trans	-76	-40.6	177.1	179.7	0	0	0	0	110.7	E365 L369 G370 L371 I420	E365-V367 VanDerWaalsContact C-N 3.32Å; E365-V367 PolarHBondContact O-N 2.99Å; V367-L369 PolarHBondContact O-N 2.88Å; V367-G370 PolarHBondContact O-N 2.7Å; V367-L371 HydrophobicContact CG1-CD1 3.84Å; V367-L371 HydrophobicContact CG1-CG 4.23Å; V367-L371 WeakPolarHBondContact O-CG 3.48Å; V367-L371 PolarHBondContact O-N 3.42Å; V367-I420 HydrophobicContact CG2-CD1 3.37Å
368	T	91.3	Very high	88.5	Confident	69 Å²	69	57.5 Å²	57.5	42%	0.423	33%	0.325	S	S	.	.	H	α-helix	trans	-52.3	-53.9	174.8	-39.1	0	0	0	0	110.7	E365 G370 L371 S372	E365-T368 WeakPolarHBondContact O-CB 3.42Å; E365-T368 PolarHBondContact O-N 3.43Å; E365-T368 VanDerWaalsContact OE2-CB 3.27Å; E365-T368 WeakPolarHBondContact OE2-CB 3.42Å; E365-T368 PolarHBondContact OE2-OG1 3.44Å; T368-G370 PolarHBondContact O-N 2.93Å; T368-L371 PolarHBondContact O-N 3Å; T368-S372 PolarHBondContact O-N 3Å; T368-S372 PolarHBondContact O-OG 3.17Å; T368-S372 VanDerWaalsContact O-OG 3.11Å
369	L	90.8	Very high	88.9	Confident	45 Å²	45	54.2 Å²	54.2	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-43.7	-179.5	-179.4	60.4	0	0	0	112.3	I355 E365 V367 S372 V373	I355-L369 HydrophobicContact CG2-CD2 4.18Å; E365-L369 WeakPolarHBondContact O-CB 3.29Å; E365-L369 PolarHBondContact O-N 3.06Å; V367-L369 PolarHBondContact O-N 2.88Å; L369-S372 PolarHBondContact O-N 3.41Å; L369-V373 HydrophobicContact CD1-CG2 4.27Å; L369-V373 WeakPolarHBondContact O-CG2 3.44Å; L369-V373 PolarHBondContact O-N 2.85Å; L369-V373 VanDerWaalsContact O-N 3.1Å
370	G	88.9	Confident	89.1	Confident	5 Å²	5	54.6 Å²	54.6	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-45	176.1	0	0	0	0	0	113	K366 V367 T368 F374	K366-G370 PolarHBondContact O-N 3.49Å; V367-G370 PolarHBondContact O-N 2.7Å; T368-G370 PolarHBondContact O-N 2.93Å; G370-F374 PolarHBondContact O-N 3.04Å; G370-F374 VanDerWaalsContact O-N 3.08Å
371	L	91.5	Very high	89.3	Confident	80 Å²	80	52.6 Å²	52.6	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-68.8	-42.2	178.1	-69.8	173.8	0	0	0	112.4	V367 T368 V373 F374 L375 V413	V367-L371 HydrophobicContact CG1-CD1 3.84Å; V367-L371 HydrophobicContact CG1-CG 4.23Å; V367-L371 WeakPolarHBondContact O-CG 3.48Å; V367-L371 PolarHBondContact O-N 3.42Å; T368-L371 PolarHBondContact O-N 3Å; L371-V373 VanDerWaalsContact C-N 3.31Å; L371-V373 PolarHBondContact O-N 3.06Å; L371-F374 PolarHBondContact O-N 3.17Å; L371-L375 WeakPolarHBondContact O-CG 3.29Å; L371-L375 PolarHBondContact O-N 3.01Å; L371-V413 HydrophobicContact CD2-CG1 3.87Å; L371-V413 HydrophobicContact CD2-CG2 4.49Å; L371-V413 HydrophobicContact CG-CG1 4.47Å
372	S	92.7	Very high	89.6	Confident	68 Å²	68	57 Å²	57	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-40.3	176.8	-64.3	0	0	0	0	112.2	T368 L369 L375 A376	T368-S372 PolarHBondContact O-N 3Å; T368-S372 PolarHBondContact O-OG 3.17Å; T368-S372 VanDerWaalsContact O-OG 3.11Å; L369-S372 PolarHBondContact O-N 3.41Å; S372-L375 PolarHBondContact O-N 3.21Å; S372-A376 PolarHBondContact O-N 2.89Å; S372-A376 VanDerWaalsContact O-N 3.07Å
373	V	91.1	Very high	90.1	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-35.1	178.1	-179.6	0	0	0	0	112	L349 L352 T353 L369 L371 A376 F377	L349-V373 HydrophobicContact CB-CG1 4.44Å; L349-V373 HydrophobicContact CD2-CG1 4.28Å; L352-V373 HydrophobicContact CB-CG2 4.05Å; T353-V373 HydrophobicContact CG2-CB 4.43Å; T353-V373 HydrophobicContact CG2-CG1 3.54Å; L369-V373 HydrophobicContact CD1-CG2 4.27Å; L369-V373 WeakPolarHBondContact O-CG2 3.44Å; L369-V373 PolarHBondContact O-N 2.85Å; L369-V373 VanDerWaalsContact O-N 3.1Å; L371-V373 VanDerWaalsContact C-N 3.31Å; L371-V373 PolarHBondContact O-N 3.06Å; V373-A376 PolarHBondContact O-N 3.17Å; V373-F377 HydrophobicContact CG1-CD2 3.78Å; V373-F377 HydrophobicContact CG1-CE2 3.52Å; V373-F377 VanDerWaalsContact O-CD2 3.25Å; V373-F377 WeakPolarHBondContact O-CD2 3.39Å; V373-F377 PolarHBondContact O-N 3.04Å
374	F	89.9	Confident	90.3	Very high	64 Å²	64	52.4 Å²	52.4	28%	0.281	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-46.1	170.3	171.6	-95.8	0	0	0	112.1	G370 L371 A376 F377 S378 M406 T410	G370-F374 PolarHBondContact O-N 3.04Å; G370-F374 VanDerWaalsContact O-N 3.08Å; L371-F374 PolarHBondContact O-N 3.17Å; F374-A376 VanDerWaalsContact C-N 3.32Å; F374-A376 PolarHBondContact O-N 3.01Å; F374-F377 PolarHBondContact O-N 3.05Å; F374-S378 PolarHBondContact O-N 2.94Å; F374-M406 HydrophobicContact CD2-CG 4.12Å; F374-M406 HydrophobicContact CE2-CG 3.74Å; F374-M406 HydrophobicContact CE2-SD 4.33Å; F374-T410 WeakPolarHBondContact CE2-OG1 3.12Å
375	L	92.7	Very high	90.6	Very high	114 Å²	114	53.2 Å²	53.2	60%	0.597	30%	0.297	S	S	*	.	H	α-helix	trans	-61.4	-39.3	176	-70.7	171.9	0	0	0	112.2	L371 S372 S378 M379	L371-L375 WeakPolarHBondContact O-CG 3.29Å; L371-L375 PolarHBondContact O-N 3.01Å; S372-L375 PolarHBondContact O-N 3.21Å; L375-S378 PolarHBondContact O-N 3.01Å; L375-M379 PolarHBondContact O-N 3.36Å
376	A	93	Very high	90.7	Very high	23 Å²	23	52.3 Å²	52.3	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-44.3	175.3	0	0	0	0	0	112.2	L349 S372 V373 F374 S378 M379 F380	L349-A376 HydrophobicContact CD1-CB 3.83Å; L349-A376 HydrophobicContact CD2-CB 3.72Å; L349-A376 HydrophobicContact CG-CB 4.47Å; S372-A376 PolarHBondContact O-N 2.89Å; S372-A376 VanDerWaalsContact O-N 3.07Å; V373-A376 PolarHBondContact O-N 3.17Å; F374-A376 VanDerWaalsContact C-N 3.32Å; F374-A376 PolarHBondContact O-N 3.01Å; A376-S378 PolarHBondContact O-N 3.29Å; A376-M379 PolarHBondContact O-N 2.91Å; A376-F380 VanDerWaalsContact O-CD2 3.31Å; A376-F380 WeakPolarHBondContact O-CD2 3.34Å; A376-F380 PolarHBondContact O-N 3.21Å; A376-F380 VanDerWaalsContact O-N 3.08Å
377	F	90.6	Very high	90.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-39.3	174.8	-79.5	-61.6	0	0	0	112.8	L349 T350 T353 V373 F374 M379 F380 M381 M402 V405 T409	L349-F377 HydrophobicContact CB-CE1 3.72Å; L349-F377 HydrophobicContact CB-CE2 3.84Å; L349-F377 HydrophobicContact CB-CZ 3.33Å; L349-F377 HydrophobicContact CD1-CD1 4.2Å; L349-F377 HydrophobicContact CD1-CE1 4.13Å; L349-F377 HydrophobicContact CD1-CZ 4.43Å; T350-F377 HydrophobicContact CG2-CE1 4.34Å; T350-F377 HydrophobicContact CG2-CZ 3.74Å; T353-F377 HydrophobicContact CG2-CE2 3.96Å; V373-F377 HydrophobicContact CG1-CD2 3.78Å; V373-F377 HydrophobicContact CG1-CE2 3.52Å; V373-F377 VanDerWaalsContact O-CD2 3.25Å; V373-F377 WeakPolarHBondContact O-CD2 3.39Å; V373-F377 PolarHBondContact O-N 3.04Å; F374-F377 PolarHBondContact O-N 3.05Å; F377-M379 PolarHBondContact O-N 3.42Å; F377-F380 PolarHBondContact O-N 3.44Å; F377-M381 PolarHBondContact O-N 3.43Å; F377-M402 HydrophobicContact CD1-CE 3.9Å; F377-M402 HydrophobicContact CD1-SD 4.26Å; F377-M402 HydrophobicContact CE1-SD 4.42Å; F377-V405 HydrophobicContact CD1-CG1 4Å; F377-V405 HydrophobicContact CD2-CG1 4.11Å; F377-V405 HydrophobicContact CE1-CG1 3.56Å; F377-V405 HydrophobicContact CE2-CG1 3.66Å; F377-V405 HydrophobicContact CG-CG1 4.27Å; F377-V405 HydrophobicContact CZ-CG1 3.37Å; F377-T409 HydrophobicContact CD2-CG2 4.07Å; F377-T409 HydrophobicContact CE2-CG2 3.97Å
378	S	91.4	Very high	90.4	Very high	53 Å²	53	58.3 Å²	58.3	37%	0.371	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-43.1	174.4	-173.9	0	0	0	0	112	F374 L375 A376 F380 M381 M382	F374-S378 PolarHBondContact O-N 2.94Å; L375-S378 PolarHBondContact O-N 3.01Å; A376-S378 PolarHBondContact O-N 3.29Å; S378-F380 PolarHBondContact O-N 2.94Å; S378-M381 WeakPolarHBondContact O-CB 3.27Å; S378-M381 PolarHBondContact O-N 3.27Å; S378-M382 PolarHBondContact O-N 2.96Å
379	M	93.2	Very high	90.4	Very high	112 Å²	112	55.4 Å²	55.4	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-43.3	175.3	-173.3	-173.1	72.2	0	0	112.5	L375 A376 F377 M382 L383	L375-M379 PolarHBondContact O-N 3.36Å; A376-M379 PolarHBondContact O-N 2.91Å; F377-M379 PolarHBondContact O-N 3.42Å; M379-M382 PolarHBondContact O-N 3.22Å; M379-L383 PolarHBondContact O-N 3.47Å
380	F	91	Very high	90.2	Very high	31 Å²	31	59.3 Å²	59.3	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-32.6	176	-81.1	-74.4	0	0	0	112.9	P345 L349 A376 F377 S378 L383 I384 M402	P345-F380 HydrophobicContact CB-CE1 4.14Å; P345-F380 HydrophobicContact CB-CE2 4.34Å; P345-F380 HydrophobicContact CB-CZ 3.68Å; L349-F380 HydrophobicContact CD1-CD2 3.64Å; L349-F380 HydrophobicContact CD1-CE2 3.71Å; A376-F380 VanDerWaalsContact O-CD2 3.31Å; A376-F380 WeakPolarHBondContact O-CD2 3.34Å; A376-F380 PolarHBondContact O-N 3.21Å; A376-F380 VanDerWaalsContact O-N 3.08Å; F377-F380 PolarHBondContact O-N 3.44Å; S378-F380 PolarHBondContact O-N 2.94Å; F380-L383 PolarHBondContact O-N 2.87Å; F380-I384 WeakPolarHBondContact O-CG1 3.19Å; F380-I384 PolarHBondContact O-N 3.43Å; F380-I384 VanDerWaalsContact O-N 3.08Å; F380-M402 HydrophobicContact CB-CE 3.41Å; F380-M402 VanDerWaalsContact CB-CE 3.41Å; F380-M402 HydrophobicContact CG-CE 4.42Å
381	M	89.2	Confident	90	Very high	42 Å²	42	61.3 Å²	61.3	21%	0.207	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-44.5	170.1	-86.1	-67.4	-69.1	0	0	111.7	F377 S378 I384 A385 M402 T403 M406	F377-M381 PolarHBondContact O-N 3.43Å; S378-M381 WeakPolarHBondContact O-CB 3.27Å; S378-M381 PolarHBondContact O-N 3.27Å; M381-I384 PolarHBondContact O-N 2.9Å; M381-A385 WeakPolarHBondContact O-CB 3.3Å; M381-A385 PolarHBondContact O-N 3.28Å; M381-M402 HydrophobicContact CG-CB 3.98Å; M381-M402 HydrophobicContact SD-CB 3.29Å; M381-M402 WeakPolarHBondContact SD-CB 3.24Å; M381-M402 HydrophobicContact SD-CG 4.47Å; M381-T403 WeakPolarHBondContact CE-OG1 3.44Å; M381-M406 HydrophobicContact CG-CE 4.06Å; M381-M406 HydrophobicContact CG-SD 4.31Å
382	M	91	Very high	89.6	Confident	113 Å²	113	62.5 Å²	62.5	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-63.3	-43.9	176.4	-165.6	176.6	81.2	0	0	111.7	S378 M379 I384 A385 E386	S378-M382 PolarHBondContact O-N 2.96Å; M379-M382 PolarHBondContact O-N 3.22Å; M382-I384 VanDerWaalsContact C-N 3.27Å; M382-I384 PolarHBondContact O-N 3.11Å; M382-A385 PolarHBondContact O-N 2.96Å; M382-A385 VanDerWaalsContact O-N 3.15Å; M382-E386 WeakPolarHBondContact O-CG 3.35Å; M382-E386 PolarHBondContact O-N 3.1Å
383	L	90.7	Very high	89.1	Confident	60 Å²	60	67.5 Å²	67.5	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-57.7	-38.5	175.5	-177	156.1	0	0	0	112.3	I342 M379 F380 R387	I342-L383 HydrophobicContact CD1-CD2 4.22Å; I342-L383 HydrophobicContact CG1-CD2 4.49Å; M379-L383 PolarHBondContact O-N 3.47Å; F380-L383 PolarHBondContact O-N 2.87Å; L383-R387 VanDerWaalsContact O-CG 3.26Å; L383-R387 WeakPolarHBondContact O-CG 3.36Å
384	I	89.2	Confident	88.6	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.041	38%	0.378	C	S	.	.	H	α-helix	trans	-70.5	-47.3	175	-68.1	164.8	0	0	0	110.3	I342 F380 M381 M382 E386 R387 V388 I398 M402	I342-I384 HydrophobicContact CG2-CD1 4.14Å; I342-I384 HydrophobicContact CG2-CG1 4.44Å; F380-I384 WeakPolarHBondContact O-CG1 3.19Å; F380-I384 PolarHBondContact O-N 3.43Å; F380-I384 VanDerWaalsContact O-N 3.08Å; M381-I384 PolarHBondContact O-N 2.9Å; M382-I384 VanDerWaalsContact C-N 3.27Å; M382-I384 PolarHBondContact O-N 3.11Å; I384-E386 PolarHBondContact O-N 2.87Å; I384-R387 PolarHBondContact O-N 3.25Å; I384-V388 HydrophobicContact CG2-CG2 4.44Å; I384-V388 PolarHBondContact O-N 3.47Å; I384-V388 VanDerWaalsContact O-N 3.09Å; I384-I398 HydrophobicContact CD1-CG1 4.04Å; I384-I398 HydrophobicContact CD1-CG2 4.49Å; I384-I398 HydrophobicContact CG2-CG2 4.37Å; I384-M402 HydrophobicContact CD1-CG 3.94Å
385	A	88.5	Confident	88.2	Confident	68 Å²	68	72.2 Å²	72.2	56%	0.562	40%	0.396	S	S	*	.	H	α-helix	trans	-62.5	-26	-178.6	0	0	0	0	0	114.1	M381 M382 R387	M381-A385 WeakPolarHBondContact O-CB 3.3Å; M381-A385 PolarHBondContact O-N 3.28Å; M382-A385 PolarHBondContact O-N 2.96Å; M382-A385 VanDerWaalsContact O-N 3.15Å; A385-R387 VanDerWaalsContact C-N 3.28Å; A385-R387 PolarHBondContact O-N 2.95Å
386	E	90.2	Very high	88	Confident	95 Å²	95	67.4 Å²	67.4	44%	0.444	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.8	172.5	-76.2	-179.5	-178.8	0	0	114.3	R88 M382 I384	R88-E386 WeakPolarHBondContact CD-O 3.44Å; R88-E386 PolarHBondContact NH1-O 3Å; M382-E386 WeakPolarHBondContact O-CG 3.35Å; M382-E386 PolarHBondContact O-N 3.1Å; I384-E386 PolarHBondContact O-N 2.87Å
387	R	85.6	Confident	87.6	Confident	146 Å²	146	68.3 Å²	68.3	55%	0.551	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-35.9	-171.5	-59.7	-64.2	178	87.3	7.5	114.3	L383 I384 A385	L383-R387 VanDerWaalsContact O-CG 3.26Å; L383-R387 WeakPolarHBondContact O-CG 3.36Å; I384-R387 PolarHBondContact O-N 3.25Å; A385-R387 VanDerWaalsContact C-N 3.28Å; A385-R387 PolarHBondContact O-N 2.95Å
388	V	86.8	Confident	87.3	Confident	20 Å²	20	68.7 Å²	68.7	12%	0.121	38%	0.375	C	S	.	.	S	Bend	trans	-78.1	149.8	172.8	-69	0	0	0	0	111.1	I175 I384 P396	I175-V388 HydrophobicContact CD1-CB 3.96Å; I175-V388 HydrophobicContact CD1-CG1 4.25Å; I384-V388 HydrophobicContact CG2-CG2 4.44Å; I384-V388 PolarHBondContact O-N 3.47Å; I384-V388 VanDerWaalsContact O-N 3.09Å; V388-P396 HydrophobicContact CG1-CG 4.36Å
389	P	90.2	Very high	87.1	Confident	7 Å²	7	66.6 Å²	66.6	5%	0.045	36%	0.362	C	S	.	.			trans	-63.6	151.3	173.4	22.8	-30.5	0	0	0	112.2	E87 Q90 I175 T391	E87-P389 WeakPolarHBondContact O-CB 3.43Å; E87-P389 VanDerWaalsContact O-CD 3.31Å; E87-P389 WeakPolarHBondContact O-CD 3.49Å; E87-P389 VanDerWaalsContact O-CG 3.22Å; E87-P389 WeakPolarHBondContact O-CG 3.45Å; Q90-P389 HydrophobicContact CG-CB 4.21Å; I175-P389 HydrophobicContact CD1-CG 4.28Å; I175-P389 HydrophobicContact CG2-CG 4.13Å; P389-T391 HydrophobicContact CB-CG2 4.1Å; P389-T391 HydrophobicContact CG-CG2 4.29Å; P389-T391 PolarHBondContact O-N 3.21Å
390	P	88	Confident	86.8	Confident	128 Å²	128	64.1 Å²	64.1	83%	0.831	35%	0.353	S	S	*	.			trans	-76.2	51.3	174.5	34.1	-36.7	0	0	0	112.1
391	T	84.4	Confident	86.5	Confident	46 Å²	46	63.2 Å²	63.2	28%	0.282	35%	0.348	S	S	.	.			trans	-90.4	128.4	-179.6	44.6	0	0	0	0	112.7	Q90 P389	Q90-T391 VanDerWaalsContact NE2-CG2 3.33Å; P389-T391 HydrophobicContact CB-CG2 4.1Å; P389-T391 HydrophobicContact CG-CG2 4.29Å; P389-T391 PolarHBondContact O-N 3.21Å
392	A	82.5	Confident	86.4	Confident	106 Å²	106	61.2 Å²	61.2	88%	0.876	34%	0.338	S	S	*	.	S	Bend	trans	-79.8	-11.9	173.7	0	0	0	0	0	114.7
393	K	81.7	Confident	86.1	Confident	172 Å²	172	58.8 Å²	58.8	75%	0.748	33%	0.33	S	S	*	.	S	Bend	trans	-67.1	-52	-173.1	-172.2	-175.8	178.5	-176.3	0	112.6
394	N	80	Confident	85.9	Confident	45 Å²	45	57.6 Å²	57.6	24%	0.241	33%	0.327	C	S	.	.			trans	-132.3	125.1	-172.8	-70.4	-10.5	0	0	0	109.5	D174 T176	D174-N394 PolarHBondContact OD1-ND2 3.25Å; T176-N394 HydrophobicContact CG2-CB 3.81Å
395	I	83.3	Confident	85.7	Confident	128 Å²	128	57.5 Å²	57.5	66%	0.656	33%	0.327	S	S	*	.			trans	-87.2	130.7	173.8	-54.7	175.4	0	0	0	108	V400	I395-V400 HydrophobicContact CB-CG2 4.37Å; I395-V400 HydrophobicContact CG2-CG2 3.73Å
396	P	88.1	Confident	85.6	Confident	13 Å²	13	56.3 Å²	56.3	8%	0.084	31%	0.31	C	S	.	.			trans	-70.3	138.9	-178.6	28.5	-34.5	0	0	0	111.4	I175 F178 V388 I398 G399 V400	I175-P396 HydrophobicContact CB-CB 4.27Å; I175-P396 HydrophobicContact CD1-CB 4.2Å; I175-P396 HydrophobicContact CD1-CG 4.06Å; I175-P396 HydrophobicContact CG1-CB 4.18Å; I175-P396 WeakPolarHBondContact O-CA 3.31Å; I175-P396 WeakPolarHBondContact O-CB 3.37Å; F178-P396 HydrophobicContact CB-CB 4.48Å; V388-P396 HydrophobicContact CG1-CG 4.36Å; P396-I398 VanDerWaalsContact C-N 3.27Å; P396-I398 HydrophobicContact CB-CG2 4.43Å; P396-I398 PolarHBondContact O-N 3.47Å; P396-G399 WeakPolarHBondContact O-CA 3.39Å; P396-G399 PolarHBondContact O-N 3.42Å; P396-V400 PolarHBondContact O-N 3.18Å
397	L	84.2	Confident	85.5	Confident	41 Å²	41	55.3 Å²	55.3	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-53.6	-40.2	-178.8	-178.4	65.1	0	0	0	113.1	T176 G399 V400 Y401 I662 P666	T176-L397 WeakPolarHBondContact O-CB 3.43Å; T176-L397 PolarHBondContact O-N 3.45Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 3.3Å; L397-V400 PolarHBondContact O-N 2.97Å; L397-Y401 PolarHBondContact O-N 2.93Å; L397-I662 HydrophobicContact CD1-CB 4.39Å; L397-I662 HydrophobicContact CD1-CG2 3.81Å; L397-I662 WeakPolarHBondContact CD2-O 3.5Å; L397-I662 HydrophobicContact CG-CG2 4.01Å; L397-P666 HydrophobicContact CD1-CG 4.14Å; L397-P666 HydrophobicContact CD2-CB 4.39Å; L397-P666 HydrophobicContact CD2-CG 3.99Å
398	I	84.6	Confident	85.5	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.046	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-31.5	174.7	-166.6	64.5	0	0	0	112.6	F178 I384 P396 Y401 M402	F178-I398 HydrophobicContact CD1-CG2 3.78Å; F178-I398 HydrophobicContact CE1-CG2 4.31Å; I384-I398 HydrophobicContact CD1-CG1 4.04Å; I384-I398 HydrophobicContact CD1-CG2 4.49Å; I384-I398 HydrophobicContact CG2-CG2 4.37Å; P396-I398 VanDerWaalsContact C-N 3.27Å; P396-I398 HydrophobicContact CB-CG2 4.43Å; P396-I398 PolarHBondContact O-N 3.47Å; I398-Y401 HydrophobicContact CD1-CD1 3.99Å; I398-Y401 WeakPolarHBondContact O-CB 3.36Å; I398-Y401 PolarHBondContact O-N 3.19Å; I398-M402 HydrophobicContact CG1-CG 4.4Å; I398-M402 WeakPolarHBondContact O-CB 3.4Å; I398-M402 WeakPolarHBondContact O-CG 3.23Å; I398-M402 PolarHBondContact O-N 3.08Å
399	G	87.4	Confident	85.4	Confident	8 Å²	8	48.9 Å²	48.9	8%	0.082	29%	0.289	C	S	.	.	H	α-helix	trans	-69.4	-40.2	173.8	0	0	0	0	0	111.9	P396 L397 M402 T403	P396-G399 WeakPolarHBondContact O-CA 3.39Å; P396-G399 PolarHBondContact O-N 3.42Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 3.3Å; G399-M402 PolarHBondContact O-N 3Å; G399-T403 VanDerWaalsContact O-CB 3.25Å; G399-T403 WeakPolarHBondContact O-CB 3.38Å; G399-T403 PolarHBondContact O-N 2.83Å; G399-T403 PolarHBondContact O-OG1 3.18Å
400	V	86.1	Confident	85.3	Confident	60 Å²	60	51.7 Å²	51.7	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-43.2	173	-179.1	0	0	0	0	110.8	I395 P396 L397 S404	I395-V400 HydrophobicContact CB-CG2 4.37Å; I395-V400 HydrophobicContact CG2-CG2 3.73Å; P396-V400 PolarHBondContact O-N 3.18Å; L397-V400 PolarHBondContact O-N 2.97Å; V400-S404 VanDerWaalsContact O-CB 3.3Å; V400-S404 WeakPolarHBondContact O-CB 3.45Å; V400-S404 PolarHBondContact O-N 3.05Å; V400-S404 PolarHBondContact O-OG 2.73Å
401	Y	85.3	Confident	85.3	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-55.9	174	176.7	-112.2	0	0	0	112.6	C346 L397 I398 T403 S404 V405 I662 F663	C346-Y401 HydrophobicContact CB-CE1 4.24Å; L397-Y401 PolarHBondContact O-N 2.93Å; I398-Y401 HydrophobicContact CD1-CD1 3.99Å; I398-Y401 WeakPolarHBondContact O-CB 3.36Å; I398-Y401 PolarHBondContact O-N 3.19Å; Y401-T403 VanDerWaalsContact C-N 3.33Å; Y401-T403 PolarHBondContact O-N 3.14Å; Y401-S404 WeakPolarHBondContact O-CB 3.26Å; Y401-S404 PolarHBondContact O-N 3.28Å; Y401-V405 HydrophobicContact CD2-CG2 4.12Å; Y401-V405 HydrophobicContact CE1-CG2 4.36Å; Y401-V405 HydrophobicContact CE2-CG2 3.73Å; Y401-V405 WeakPolarHBondContact O-CG2 3.36Å; Y401-V405 PolarHBondContact O-N 3.42Å; Y401-I662 HydrophobicContact CD2-CD1 3.99Å; Y401-I662 HydrophobicContact CD2-CG2 4.3Å; Y401-I662 HydrophobicContact CG-CG2 4.43Å; Y401-F663 HydrophobicContact CD1-CZ 4.35Å; Y401-F663 AromaticContact CD2-CE2 3.75Å; Y401-F663 HydrophobicContact CD2-CE2 3.75Å; Y401-F663 HydrophobicContact CD2-CZ 4.27Å; Y401-F663 HydrophobicContact CE1-CZ 4.46Å; Y401-F663 AromaticContact CE2-CE2 3.75Å; Y401-F663 HydrophobicContact CE2-CE2 3.75Å; Y401-F663 HydrophobicContact CE2-CZ 4.39Å; Y401-F663 HydrophobicContact CG-CE2 4.19Å; Y401-F663 HydrophobicContact CG-CZ 4.25Å
402	M	85.8	Confident	85.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-35.7	-174.7	-67.7	-68.2	-76.8	0	0	111.9	C346 F377 F380 M381 I384 I398 G399 M406	C346-M402 HydrophobicContact CB-CE 4.45Å; C346-M402 HydrophobicContact CB-SD 3.86Å; C346-M402 WeakPolarHBondContact SG-CE 3.32Å; C346-M402 PolarHBondContact SG-SD 3.24Å; F377-M402 HydrophobicContact CD1-CE 3.9Å; F377-M402 HydrophobicContact CD1-SD 4.26Å; F377-M402 HydrophobicContact CE1-SD 4.42Å; F380-M402 HydrophobicContact CB-CE 3.41Å; F380-M402 VanDerWaalsContact CB-CE 3.41Å; F380-M402 HydrophobicContact CG-CE 4.42Å; M381-M402 HydrophobicContact CG-CB 3.98Å; M381-M402 HydrophobicContact SD-CB 3.29Å; M381-M402 WeakPolarHBondContact SD-CB 3.24Å; M381-M402 HydrophobicContact SD-CG 4.47Å; I384-M402 HydrophobicContact CD1-CG 3.94Å; I398-M402 HydrophobicContact CG1-CG 4.4Å; I398-M402 WeakPolarHBondContact O-CB 3.4Å; I398-M402 WeakPolarHBondContact O-CG 3.23Å; I398-M402 PolarHBondContact O-N 3.08Å; G399-M402 PolarHBondContact O-N 3Å; M402-M406 VanDerWaalsContact O-CB 3.27Å; M402-M406 WeakPolarHBondContact O-CB 3.27Å; M402-M406 PolarHBondContact O-N 3.28Å
403	T	86.6	Confident	85.7	Confident	63 Å²	63	41.6 Å²	41.6	39%	0.387	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-48	171.2	-55.5	0	0	0	0	111	M381 G399 Y401 V405 M406 S407	M381-T403 WeakPolarHBondContact CE-OG1 3.44Å; G399-T403 VanDerWaalsContact O-CB 3.25Å; G399-T403 WeakPolarHBondContact O-CB 3.38Å; G399-T403 PolarHBondContact O-N 2.83Å; G399-T403 PolarHBondContact O-OG1 3.18Å; Y401-T403 VanDerWaalsContact C-N 3.33Å; Y401-T403 PolarHBondContact O-N 3.14Å; T403-V405 PolarHBondContact O-N 2.82Å; T403-M406 PolarHBondContact O-N 3.11Å; T403-S407 PolarHBondContact O-N 3.48Å; T403-S407 PolarHBondContact O-OG 3.17Å
404	S	85.3	Confident	86.1	Confident	35 Å²	35	37.4 Å²	37.4	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-48.2	178.6	-59	0	0	0	0	111.4	V400 Y401 M406 S407 I408	V400-S404 VanDerWaalsContact O-CB 3.3Å; V400-S404 WeakPolarHBondContact O-CB 3.45Å; V400-S404 PolarHBondContact O-N 3.05Å; V400-S404 PolarHBondContact O-OG 2.73Å; Y401-S404 WeakPolarHBondContact O-CB 3.26Å; Y401-S404 PolarHBondContact O-N 3.28Å; S404-M406 VanDerWaalsContact C-N 3.34Å; S404-M406 PolarHBondContact O-N 2.71Å; S404-S407 PolarHBondContact O-N 2.9Å; S404-I408 WeakPolarHBondContact O-CD1 3.16Å; S404-I408 WeakPolarHBondContact O-CG1 3.49Å; S404-I408 PolarHBondContact O-N 3.06Å
405	V	85	Confident	86.4	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-42.9	176.3	172.5	0	0	0	0	111.1	T350 F377 Y401 T403 S407 I408 T409	T350-V405 HydrophobicContact CG2-CG1 3.81Å; T350-V405 HydrophobicContact CG2-CG2 4.11Å; F377-V405 HydrophobicContact CD1-CG1 4Å; F377-V405 HydrophobicContact CD2-CG1 4.11Å; F377-V405 HydrophobicContact CE1-CG1 3.56Å; F377-V405 HydrophobicContact CE2-CG1 3.66Å; F377-V405 HydrophobicContact CG-CG1 4.27Å; F377-V405 HydrophobicContact CZ-CG1 3.37Å; Y401-V405 HydrophobicContact CD2-CG2 4.12Å; Y401-V405 HydrophobicContact CE1-CG2 4.36Å; Y401-V405 HydrophobicContact CE2-CG2 3.73Å; Y401-V405 WeakPolarHBondContact O-CG2 3.36Å; Y401-V405 PolarHBondContact O-N 3.42Å; T403-V405 PolarHBondContact O-N 2.82Å; V405-S407 PolarHBondContact O-N 2.99Å; V405-I408 PolarHBondContact O-N 3.27Å; V405-T409 HydrophobicContact CG1-CG2 4.35Å; V405-T409 WeakPolarHBondContact O-CG2 3.39Å; V405-T409 PolarHBondContact O-N 3.26Å; V405-T409 PolarHBondContact O-OG1 3.3Å
406	M	87.6	Confident	86.6	Confident	43 Å²	43	30.6 Å²	30.6	21%	0.212	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-35.4	178.2	-168	163.9	65.1	0	0	113	F374 M381 M402 T403 S404 T409 T410	F374-M406 HydrophobicContact CD2-CG 4.12Å; F374-M406 HydrophobicContact CE2-CG 3.74Å; F374-M406 HydrophobicContact CE2-SD 4.33Å; M381-M406 HydrophobicContact CG-CE 4.06Å; M381-M406 HydrophobicContact CG-SD 4.31Å; M402-M406 VanDerWaalsContact O-CB 3.27Å; M402-M406 WeakPolarHBondContact O-CB 3.27Å; M402-M406 PolarHBondContact O-N 3.28Å; T403-M406 PolarHBondContact O-N 3.11Å; S404-M406 VanDerWaalsContact C-N 3.34Å; S404-M406 PolarHBondContact O-N 2.71Å; M406-T409 WeakPolarHBondContact CA-OG1 3.31Å; M406-T409 PolarHBondContact O-OG1 3.4Å; M406-T410 WeakPolarHBondContact O-CB 3.3Å; M406-T410 PolarHBondContact O-N 3.49Å; M406-T410 PolarHBondContact O-OG1 3.25Å
407	S	87.1	Confident	86.7	Confident	75 Å²	75	33.7 Å²	33.7	52%	0.524	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-43.2	170.4	-60.5	0	0	0	0	111.9	T403 S404 V405 T410 G411	T403-S407 PolarHBondContact O-N 3.48Å; T403-S407 PolarHBondContact O-OG 3.17Å; S404-S407 PolarHBondContact O-N 2.9Å; V405-S407 PolarHBondContact O-N 2.99Å; S407-T410 WeakPolarHBondContact O-CB 3.42Å; S407-T410 PolarHBondContact O-N 3.07Å; S407-G411 PolarHBondContact O-N 3.12Å
408	I	85	Confident	86.9	Confident	29 Å²	29	35.9 Å²	35.9	15%	0.149	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-42.9	178.6	-57.1	156.4	0	0	0	110.3	S404 V405 T410 G411 T412 F651 I654 T655	S404-I408 WeakPolarHBondContact O-CD1 3.16Å; S404-I408 WeakPolarHBondContact O-CG1 3.49Å; S404-I408 PolarHBondContact O-N 3.06Å; V405-I408 PolarHBondContact O-N 3.27Å; I408-T410 PolarHBondContact O-N 3.09Å; I408-G411 CarbonylContact O-C 3.5Å; I408-G411 WeakPolarHBondContact O-CA 3.4Å; I408-G411 PolarHBondContact O-N 2.62Å; I408-T412 WeakPolarHBondContact O-CG2 3.29Å; I408-T412 PolarHBondContact O-N 2.8Å; I408-F651 HydrophobicContact CB-CE2 4.39Å; I408-F651 HydrophobicContact CG2-CD2 3.44Å; I408-F651 VanDerWaalsContact CG2-CD2 3.44Å; I408-F651 HydrophobicContact CG2-CE2 3.36Å; I408-F651 HydrophobicContact CG2-CZ 4.42Å; I408-I654 HydrophobicContact CD1-CG2 3.67Å; I408-I654 HydrophobicContact CG1-CG2 3.96Å; I408-T655 HydrophobicContact CD1-CG2 4.3Å
409	T	85.7	Confident	87.1	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-67.8	-33.2	177.3	58.8	0	0	0	0	113.1	T353 F377 V405 M406 G411 T412 V413	T353-T409 HydrophobicContact CG2-CG2 3.56Å; F377-T409 HydrophobicContact CD2-CG2 4.07Å; F377-T409 HydrophobicContact CE2-CG2 3.97Å; V405-T409 HydrophobicContact CG1-CG2 4.35Å; V405-T409 WeakPolarHBondContact O-CG2 3.39Å; V405-T409 PolarHBondContact O-N 3.26Å; V405-T409 PolarHBondContact O-OG1 3.3Å; M406-T409 WeakPolarHBondContact CA-OG1 3.31Å; M406-T409 PolarHBondContact O-OG1 3.4Å; T409-G411 VanDerWaalsContact C-N 3.27Å; T409-G411 PolarHBondContact O-N 3.05Å; T409-T412 PolarHBondContact O-N 3.47Å; T409-T412 VanDerWaalsContact O-N 3.17Å; T409-T412 PolarHBondContact O-OG1 3.03Å; T409-V413 WeakPolarHBondContact O-CG2 3.3Å; T409-V413 PolarHBondContact O-N 3.3Å
410	T	88.6	Confident	87.1	Confident	66 Å²	66	37.9 Å²	37.9	41%	0.405	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-44.2	167.7	-54.5	0	0	0	0	110.4	F374 M406 S407 I408 V413 V414	F374-T410 WeakPolarHBondContact CE2-OG1 3.12Å; M406-T410 WeakPolarHBondContact O-CB 3.3Å; M406-T410 PolarHBondContact O-N 3.49Å; M406-T410 PolarHBondContact O-OG1 3.25Å; S407-T410 WeakPolarHBondContact O-CB 3.42Å; S407-T410 PolarHBondContact O-N 3.07Å; I408-T410 PolarHBondContact O-N 3.09Å; T410-V413 PolarHBondContact O-N 2.89Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 3.27Å; T410-V414 VanDerWaalsContact O-N 3.17Å
411	G	87	Confident	87.2	Confident	36 Å²	36	39 Å²	39	37%	0.371	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-42.3	172.2	0	0	0	0	0	113.8	S407 I408 T409 V414 V415	S407-G411 PolarHBondContact O-N 3.12Å; I408-G411 CarbonylContact O-C 3.5Å; I408-G411 WeakPolarHBondContact O-CA 3.4Å; I408-G411 PolarHBondContact O-N 2.62Å; T409-G411 VanDerWaalsContact C-N 3.27Å; T409-G411 PolarHBondContact O-N 3.05Å; G411-V414 PolarHBondContact O-N 2.83Å; G411-V415 WeakPolarHBondContact O-CB 3.4Å; G411-V415 WeakPolarHBondContact O-CG2 3.22Å; G411-V415 PolarHBondContact O-N 3.31Å
412	T	86	Confident	87.2	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-35.7	179	71	0	0	0	0	112.8	F357 I408 T409 V415 C416 F651	F357-T412 HydrophobicContact CE2-CG2 3.78Å; F357-T412 HydrophobicContact CZ-CG2 3.55Å; I408-T412 WeakPolarHBondContact O-CG2 3.29Å; I408-T412 PolarHBondContact O-N 2.8Å; T409-T412 PolarHBondContact O-N 3.47Å; T409-T412 VanDerWaalsContact O-N 3.17Å; T409-T412 PolarHBondContact O-OG1 3.03Å; T412-V415 WeakPolarHBondContact O-CB 3.37Å; T412-V415 PolarHBondContact O-N 3.49Å; T412-C416 PolarHBondContact O-N 3.34Å; T412-C416 PolarHBondContact O-SG 3.08Å; T412-F651 HydrophobicContact CG2-CD2 3.31Å; T412-F651 HydrophobicContact CG2-CE2 3.53Å; T412-F651 HydrophobicContact CG2-CG 4.38Å
413	V	89.3	Confident	87.1	Confident	25 Å²	25	41.2 Å²	41.2	15%	0.152	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-46.6	175.2	172.4	0	0	0	0	110.9	L371 T409 T410 V415 C416 V417	L371-V413 HydrophobicContact CD2-CG1 3.87Å; L371-V413 HydrophobicContact CD2-CG2 4.49Å; L371-V413 HydrophobicContact CG-CG1 4.47Å; T409-V413 WeakPolarHBondContact O-CG2 3.3Å; T409-V413 PolarHBondContact O-N 3.3Å; T410-V413 PolarHBondContact O-N 2.89Å; V413-V415 VanDerWaalsContact C-N 3.31Å; V413-V415 PolarHBondContact O-N 3.48Å; V413-C416 PolarHBondContact O-N 2.99Å; V413-C416 VanDerWaalsContact O-N 3.17Å; V413-V417 PolarHBondContact O-N 3.42Å; V413-V417 VanDerWaalsContact O-N 3.12Å
414	V	89.7	Confident	87	Confident	84 Å²	84	40 Å²	40	51%	0.509	24%	0.244	S	C	.	.	H	α-helix	trans	-59.2	-43.4	174.4	173.2	0	0	0	0	110.9	T410 G411 C416 V417 I418	T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 3.27Å; T410-V414 VanDerWaalsContact O-N 3.17Å; G411-V414 PolarHBondContact O-N 2.83Å; V414-C416 PolarHBondContact O-N 3.26Å; V414-V417 PolarHBondContact O-N 3.01Å; V414-I418 HydrophobicContact CG1-CD1 4.06Å; V414-I418 WeakPolarHBondContact O-CG1 3.26Å; V414-I418 PolarHBondContact O-N 3.34Å
415	V	85.8	Confident	87	Confident	27 Å²	27	42.2 Å²	42.2	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-43.6	174	154.7	0	0	0	0	112.5	F357 G411 T412 V413 V417 I418 V419 L647	F357-V415 HydrophobicContact CE1-CG1 4.27Å; G411-V415 WeakPolarHBondContact O-CB 3.4Å; G411-V415 WeakPolarHBondContact O-CG2 3.22Å; G411-V415 PolarHBondContact O-N 3.31Å; T412-V415 WeakPolarHBondContact O-CB 3.37Å; T412-V415 PolarHBondContact O-N 3.49Å; V413-V415 VanDerWaalsContact C-N 3.31Å; V413-V415 PolarHBondContact O-N 3.48Å; V415-V417 VanDerWaalsContact C-N 3.33Å; V415-V417 PolarHBondContact O-N 2.95Å; V415-I418 WeakPolarHBondContact O-CB 3.47Å; V415-I418 PolarHBondContact O-N 3.02Å; V415-I418 VanDerWaalsContact O-N 3.15Å; V415-V419 HydrophobicContact CG1-CG2 4.4Å; V415-V419 WeakPolarHBondContact O-CG2 3.14Å; V415-V419 PolarHBondContact O-N 3.33Å; V415-L647 HydrophobicContact CB-CD1 4.27Å; V415-L647 HydrophobicContact CG1-CB 3.99Å; V415-L647 HydrophobicContact CG1-CD1 3.42Å; V415-L647 VanDerWaalsContact CG1-CD1 3.42Å; V415-L647 HydrophobicContact CG1-CG 4.24Å; V415-L647 HydrophobicContact CG2-CD1 3.89Å; V415-L647 HydrophobicContact CG2-CD2 4.35Å
416	C	88.4	Confident	86.5	Confident	3 Å²	3	42 Å²	42	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-40.8	178.9	-70.7	0	0	0	0	111.7	K366 T412 V413 V414 I418 V419 I420	K366-C416 VanDerWaalsContact CE-SG 3.51Å; K366-C416 HydrophobicContact CG-CB 4.45Å; T412-C416 PolarHBondContact O-N 3.34Å; T412-C416 PolarHBondContact O-SG 3.08Å; V413-C416 PolarHBondContact O-N 2.99Å; V413-C416 VanDerWaalsContact O-N 3.17Å; V414-C416 PolarHBondContact O-N 3.26Å; C416-I418 VanDerWaalsContact C-N 3.34Å; C416-V419 PolarHBondContact O-N 3.11Å; C416-I420 WeakPolarHBondContact O-CD1 3.36Å; C416-I420 WeakPolarHBondContact O-CG1 3.39Å; C416-I420 PolarHBondContact O-N 3.3Å
417	V	90.7	Very high	86	Confident	78 Å²	78	47.3 Å²	47.3	47%	0.473	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-39.2	174.2	176	0	0	0	0	111.4	V413 V414 V415 N421	V413-V417 PolarHBondContact O-N 3.42Å; V413-V417 VanDerWaalsContact O-N 3.12Å; V414-V417 PolarHBondContact O-N 3.01Å; V415-V417 VanDerWaalsContact C-N 3.33Å; V415-V417 PolarHBondContact O-N 2.95Å; V417-N421 VanDerWaalsContact O-CB 3.32Å; V417-N421 WeakPolarHBondContact O-CB 3.48Å; V417-N421 PolarHBondContact O-N 3.04Å
418	I	88.3	Confident	85.6	Confident	87 Å²	87	51 Å²	51	45%	0.446	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-47.6	173.9	-68.1	165.9	0	0	0	110.9	V414 V415 C416 I420 N421 L422	V414-I418 HydrophobicContact CG1-CD1 4.06Å; V414-I418 WeakPolarHBondContact O-CG1 3.26Å; V414-I418 PolarHBondContact O-N 3.34Å; V415-I418 WeakPolarHBondContact O-CB 3.47Å; V415-I418 PolarHBondContact O-N 3.02Å; V415-I418 VanDerWaalsContact O-N 3.15Å; C416-I418 VanDerWaalsContact C-N 3.34Å; I418-I420 VanDerWaalsContact C-N 3.33Å; I418-I420 PolarHBondContact O-N 3.33Å; I418-N421 CarbonylContact O-C 3.49Å; I418-N421 PolarHBondContact O-N 3.42Å; I418-N421 VanDerWaalsContact O-N 3.16Å; I418-L422 HydrophobicContact CG2-CD1 3.99Å; I418-L422 HydrophobicContact CG2-CG 4.33Å; I418-L422 VanDerWaalsContact O-CG 3.3Å; I418-L422 WeakPolarHBondContact O-CG 3.42Å; I418-L422 PolarHBondContact O-N 2.73Å
419	V	87.7	Confident	84.9	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-41.5	179.3	169.8	0	0	0	0	111.7	I361 V415 C416 L422 D423 A640 T643 D644	I361-V419 HydrophobicContact CD1-CG1 3.52Å; I361-V419 HydrophobicContact CG1-CG1 3.88Å; V415-V419 HydrophobicContact CG1-CG2 4.4Å; V415-V419 WeakPolarHBondContact O-CG2 3.14Å; V415-V419 PolarHBondContact O-N 3.33Å; C416-V419 PolarHBondContact O-N 3.11Å; V419-L422 WeakPolarHBondContact O-CB 3.03Å; V419-L422 PolarHBondContact O-N 2.96Å; V419-D423 PolarHBondContact O-N 2.8Å; V419-A640 HydrophobicContact CG1-CB 4.28Å; V419-T643 HydrophobicContact CG2-CG2 4.04Å; V419-D644 HydrophobicContact CG1-CB 4.23Å; V419-D644 HydrophobicContact CG2-CB 4.34Å
420	I	88.4	Confident	84.3	Confident	58 Å²	58	56.1 Å²	56.1	30%	0.297	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-40	175.7	-69.9	162.7	0	0	0	111.5	I361 V367 C416 I418 L422 D423 A424	I361-I420 HydrophobicContact CG2-CG1 4.1Å; V367-I420 HydrophobicContact CG2-CD1 3.37Å; C416-I420 WeakPolarHBondContact O-CD1 3.36Å; C416-I420 WeakPolarHBondContact O-CG1 3.39Å; C416-I420 PolarHBondContact O-N 3.3Å; I418-I420 VanDerWaalsContact C-N 3.33Å; I418-I420 PolarHBondContact O-N 3.33Å; I420-L422 VanDerWaalsContact C-N 3.28Å; I420-L422 PolarHBondContact O-N 3.07Å; I420-D423 PolarHBondContact O-N 3.06Å; I420-A424 WeakPolarHBondContact O-CB 3.15Å; I420-A424 PolarHBondContact O-N 3.49Å
421	N	88.5	Confident	83.6	Confident	84 Å²	84	59.1 Å²	59.1	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-25.8	174.6	-170.4	-1.3	0	0	0	112.5	V417 I418 K425	V417-N421 VanDerWaalsContact O-CB 3.32Å; V417-N421 WeakPolarHBondContact O-CB 3.48Å; V417-N421 PolarHBondContact O-N 3.04Å; I418-N421 CarbonylContact O-C 3.49Å; I418-N421 PolarHBondContact O-N 3.42Å; I418-N421 VanDerWaalsContact O-N 3.16Å; N421-K425 VanDerWaalsContact O-CG 3.29Å; N421-K425 WeakPolarHBondContact O-CG 3.07Å; N421-K425 PolarHBondContact O-N 3.2Å
422	L	84.8	Confident	83	Confident	26 Å²	26	58 Å²	58	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-73.7	-42.3	171.5	-66.7	167.6	0	0	0	111.6	I418 V419 I420 K425 W636 A640 T643	I418-L422 HydrophobicContact CG2-CD1 3.99Å; I418-L422 HydrophobicContact CG2-CG 4.33Å; I418-L422 VanDerWaalsContact O-CG 3.3Å; I418-L422 WeakPolarHBondContact O-CG 3.42Å; I418-L422 PolarHBondContact O-N 2.73Å; V419-L422 WeakPolarHBondContact O-CB 3.03Å; V419-L422 PolarHBondContact O-N 2.96Å; I420-L422 VanDerWaalsContact C-N 3.28Å; I420-L422 PolarHBondContact O-N 3.07Å; L422-K425 PolarHBondContact O-N 3.24Å; L422-W636 HydrophobicContact CB-CE3 4.43Å; L422-W636 HydrophobicContact CD2-CE3 4.42Å; L422-W636 HydrophobicContact CD2-CZ3 3.72Å; L422-W636 VanDerWaalsContact O-CE3 3.27Å; L422-A640 HydrophobicContact CB-CB 4.34Å; L422-T643 HydrophobicContact CD1-CG2 4.12Å
423	D	83.6	Confident	82.8	Confident	32 Å²	32	60.2 Å²	60.2	17%	0.171	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-46.3	175.4	-156.5	54.2	0	0	0	110.7	I361 V419 I420 K425 G426 A640	I361-D423 HydrophobicContact CG2-CB 4.03Å; V419-D423 PolarHBondContact O-N 2.8Å; I420-D423 PolarHBondContact O-N 3.06Å; D423-K425 PolarHBondContact O-N 2.88Å; D423-K425 VanDerWaalsContact O-N 3.13Å; D423-G426 PolarHBondContact O-N 3.3Å; D423-A640 HydrophobicContact CB-CB 4.24Å
424	A	85.4	Confident	82.2	Confident	39 Å²	39	67.7 Å²	67.7	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-65.4	-13.2	176.9	0	0	0	0	0	114.8	I420 G426	I420-A424 WeakPolarHBondContact O-CB 3.15Å; I420-A424 PolarHBondContact O-N 3.49Å; A424-G426 VanDerWaalsContact C-N 3.33Å
425	K	83.3	Confident	81.8	Confident	80 Å²	80	71.5 Å²	71.5	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-76	-21.7	169.2	-79.6	167.7	-172.5	178	0	112.7	N421 L422 D423 E427 K428 W636	N421-K425 VanDerWaalsContact O-CG 3.29Å; N421-K425 WeakPolarHBondContact O-CG 3.07Å; N421-K425 PolarHBondContact O-N 3.2Å; L422-K425 PolarHBondContact O-N 3.24Å; D423-K425 PolarHBondContact O-N 2.88Å; D423-K425 VanDerWaalsContact O-N 3.13Å; K425-E427 VanDerWaalsContact C-N 3.33Å; K425-K428 PolarHBondContact O-N 3.18Å; K425-W636 HydrophobicContact CB-CD2 3.98Å; K425-W636 HydrophobicContact CB-CE3 4.12Å; K425-W636 HydrophobicContact CB-CH2 4.22Å; K425-W636 HydrophobicContact CB-CZ2 4.05Å; K425-W636 HydrophobicContact CB-CZ3 4.25Å; K425-W636 HydrophobicContact CD-CH2 4.01Å; K425-W636 HydrophobicContact CD-CZ2 4.49Å; K425-W636 HydrophobicContact CD-CZ3 4.18Å
426	G	76.2	Confident	81.5	Confident	2 Å²	2	71.3 Å²	71.3	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-39.8	171.1	0	0	0	0	0	112.7	D423 A424 K428 L429 W636	D423-G426 PolarHBondContact O-N 3.3Å; A424-G426 VanDerWaalsContact C-N 3.33Å; G426-K428 PolarHBondContact O-N 3.3Å; G426-L429 PolarHBondContact O-N 3.4Å; G426-W636 VanDerWaalsContact CA-CD1 3.46Å
427	E	77.3	Confident	80.8	Confident	154 Å²	154	73.9 Å²	73.9	72%	0.72	36%	0.361	S	S	*	.	H	α-helix	trans	-66	-27.2	176.9	-57.5	-167.7	141.9	0	0	112.9	K425 L429	K425-E427 VanDerWaalsContact C-N 3.33Å; E427-L429 PolarHBondContact O-N 3.06Å
428	K	76.9	Confident	80	Confident	151 Å²	151	78.3 Å²	78.3	66%	0.657	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	11	177.7	-62.2	-176.9	180	-179.7	0	113.6	K425 G426 S430	K425-K428 PolarHBondContact O-N 3.18Å; G426-K428 PolarHBondContact O-N 3.3Å; K428-S430 PolarHBondContact O-N 3.05Å; K428-S430 PolarHBondContact O-OG 2.91Å
429	L	70.4	Confident	79.2	Confident	73 Å²	73	78.2 Å²	78.2	38%	0.382	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	22.9	174	-57.3	177.5	0	0	0	114.9	G426 E427 N629	G426-L429 PolarHBondContact O-N 3.4Å; E427-L429 PolarHBondContact O-N 3.06Å; L429-N629 HydrophobicContact CD1-CB 4.47Å; L429-N629 HydrophobicContact CD2-CB 3.67Å
430	S	74.1	Confident	78.4	Confident	67 Å²	67	78.4 Å²	78.4	47%	0.469	37%	0.37	S	S	.	.			trans	-93.6	112.3	-173.5	-64.8	0	0	0	0	109	K428 A432 W636	K428-S430 PolarHBondContact O-N 3.05Å; K428-S430 PolarHBondContact O-OG 2.91Å; S430-A432 PolarHBondContact O-N 2.99Å; S430-W636 PolarHBondContact O-NE1 2.82Å
431	R	73	Confident	77.2	Confident	128 Å²	128	77.7 Å²	77.7	48%	0.483	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-53.7	138.2	179.9	-76.2	174.6	162.8	-161.4	-9.4	111.9	E467 I632	R431-E467 IonicContact CZ-OE2 3.67Å; R431-E467 VanDerWaalsContact NH1-CD 3.3Å; R431-E467 IonicContact NH1-OE1 3.76Å; R431-E467 PolarHBondContact NH1-OE1 2.04Å; R431-E467 IonicContact NH1-OE2 3.44Å; R431-E467 PolarHBondContact NH1-OE2 3.45Å; R431-E467 IonicContact NH2-OE2 2.69Å; R431-E467 PolarHBondContact NH2-OE2 3.09Å; R431-I632 HydrophobicContact CG-CD1 3.91Å; R431-I632 HydrophobicContact CG-CG1 4.15Å
432	A	75.5	Confident	76	Confident	14 Å²	14	82 Å²	82	12%	0.116	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.4	179.7	0	0	0	0	0	112.2	S430 W636 I639	S430-A432 PolarHBondContact O-N 2.99Å; A432-W636 HydrophobicContact CB-CH2 4.47Å; A432-W636 HydrophobicContact CB-CZ2 4.06Å; A432-I639 HydrophobicContact CB-CD1 3.64Å
433	P	81.5	Confident	74.8	Confident	52 Å²	52	83 Å²	83	34%	0.338	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-56.9	141.6	177.2	-26.5	35.1	0	0	0	112.9	W435 L436 R437	P433-W435 HydrophobicContact CB-CD2 4.46Å; P433-W435 HydrophobicContact CB-CG 4.25Å; P433-W435 PolarHBondContact O-N 2.94Å; P433-W435 VanDerWaalsContact O-N 3.08Å; P433-L436 HydrophobicContact CB-CB 4.33Å; P433-L436 WeakPolarHBondContact O-CB 3.22Å; P433-L436 PolarHBondContact O-N 3.21Å; P433-R437 PolarHBondContact O-N 2.87Å
434	K	77.6	Confident	74	Confident	183 Å²	183	83.2 Å²	83.2	80%	0.796	40%	0.398	S	S	*	.	H	α-helix	trans	-55.2	-31.7	-178.2	-67.1	-178	179.3	178.2	0	113.5	R438	K434-R438 WeakPolarHBondContact O-CG 3.19Å; K434-R438 PolarHBondContact O-N 3.26Å
435	W	81.5	Confident	72.8	Confident	164 Å²	164	81.5 Å²	81.5	62%	0.621	38%	0.384	S	S	*	.	H	α-helix	trans	-70.4	-40.6	175.4	65.8	-100.5	0	0	0	112.3	P433 R438 I439	P433-W435 HydrophobicContact CB-CD2 4.46Å; P433-W435 HydrophobicContact CB-CG 4.25Å; P433-W435 PolarHBondContact O-N 2.94Å; P433-W435 VanDerWaalsContact O-N 3.08Å; W435-R438 PolarHBondContact O-N 3.36Å; W435-I439 HydrophobicContact CE3-CD1 3.86Å; W435-I439 HydrophobicContact CZ3-CD1 4.2Å; W435-I439 WeakPolarHBondContact O-CG1 3.29Å; W435-I439 PolarHBondContact O-N 2.92Å
436	L	78.3	Confident	71.8	Confident	23 Å²	23	84.6 Å²	84.6	12%	0.12	40%	0.399	C	S	.	.	H	α-helix	trans	-68.8	-42.7	-179.8	-174.8	60.5	0	0	0	111.1	P433 R438 I439 T440 W636 I639	P433-L436 HydrophobicContact CB-CB 4.33Å; P433-L436 WeakPolarHBondContact O-CB 3.22Å; P433-L436 PolarHBondContact O-N 3.21Å; L436-R438 PolarHBondContact O-N 3.24Å; L436-I439 PolarHBondContact O-N 2.85Å; L436-T440 PolarHBondContact O-N 2.8Å; L436-T440 PolarHBondContact O-OG1 2.81Å; L436-W636 HydrophobicContact CD2-CH2 4.21Å; L436-W636 HydrophobicContact CD2-CZ3 4.07Å; L436-I639 HydrophobicContact CD1-CG2 4.33Å; L436-I639 HydrophobicContact CD2-CD1 4.27Å; L436-I639 HydrophobicContact CD2-CG2 4.03Å; L436-I639 HydrophobicContact CG-CD1 4.39Å; L436-I639 HydrophobicContact CG-CG2 4.25Å
437	R	73.5	Confident	71.3	Confident	56 Å²	56	91.8 Å²	91.8	21%	0.211	43%	0.43	C	S	.	.	H	α-helix	trans	-59.9	-43.2	174.5	-140.4	-168.5	-157.6	-160.4	10.5	111.4	P433 T440 Q441 S463 E635	P433-R437 PolarHBondContact O-N 2.87Å; R437-T440 PolarHBondContact O-OG1 2.88Å; R437-Q441 VanDerWaalsContact O-CB 3.24Å; R437-Q441 WeakPolarHBondContact O-CB 3.4Å; R437-Q441 WeakPolarHBondContact O-CG 3.42Å; R437-Q441 PolarHBondContact O-N 3.17Å; R437-Q441 PolarHBondContact O-OE1 2.84Å; R437-S463 PolarHBondContact NH2-OG 3.32Å; R437-E635 IonicContact CZ-OE1 2.76Å; R437-E635 IonicContact CZ-OE2 3.18Å; R437-E635 IonicContact NE-OE1 3.34Å; R437-E635 IonicContact NE-OE2 3.95Å; R437-E635 PolarHBondContact NE-OE2 2.82Å; R437-E635 IonicContact NH2-OE1 3.3Å; R437-E635 PolarHBondContact NH2-OE1 2.96Å; R437-E635 IonicContact NH2-OE2 2.7Å; R437-E635 PolarHBondContact NH2-OE2 3.38Å; R437-E635 VanDerWaalsContact NH2-OE2 3.15Å
438	R	73.7	Confident	70.8	Confident	171 Å²	171	86.6 Å²	86.6	65%	0.645	41%	0.406	S	S	*	.	H	α-helix	trans	-60.5	-46.6	173.6	-76.8	177.7	-175.9	173.3	0.5	112.3	K434 W435 L436 T440 Q441 F442	K434-R438 WeakPolarHBondContact O-CG 3.19Å; K434-R438 PolarHBondContact O-N 3.26Å; W435-R438 PolarHBondContact O-N 3.36Å; L436-R438 PolarHBondContact O-N 3.24Å; R438-T440 PolarHBondContact O-N 2.8Å; R438-Q441 PolarHBondContact O-N 2.76Å; R438-F442 WeakPolarHBondContact O-CB 3.1Å; R438-F442 PolarHBondContact O-N 3.08Å
439	I	72.8	Confident	70.1	Confident	86 Å²	86	82.8 Å²	82.8	44%	0.441	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-44.6	-178.6	-77	177.8	0	0	0	111.1	W435 L436 G443 L444	W435-I439 HydrophobicContact CE3-CD1 3.86Å; W435-I439 HydrophobicContact CZ3-CD1 4.2Å; W435-I439 WeakPolarHBondContact O-CG1 3.29Å; W435-I439 PolarHBondContact O-N 2.92Å; L436-I439 PolarHBondContact O-N 2.85Å; I439-G443 PolarHBondContact O-N 3.31Å; I439-L444 HydrophobicContact CG2-CD1 3.5Å
440	T	69.5	Low	69.3	Low	3 Å²	3	88 Å²	88	2%	0.018	41%	0.407	C	S	.	.	I	π-helix	trans	-70.9	-41.1	176.6	54.8	0	0	0	0	112.8	L436 R437 R438 C445 I639 I642	L436-T440 PolarHBondContact O-N 2.8Å; L436-T440 PolarHBondContact O-OG1 2.81Å; R437-T440 PolarHBondContact O-OG1 2.88Å; R438-T440 PolarHBondContact O-N 2.8Å; T440-C445 WeakPolarHBondContact O-CB 3.44Å; T440-C445 PolarHBondContact O-N 3.3Å; T440-I639 HydrophobicContact CG2-CG1 4Å; T440-I642 HydrophobicContact CG2-CD1 4.23Å; T440-I642 HydrophobicContact CG2-CG2 4.28Å
441	Q	64.4	Low	68.4	Low	43 Å²	43	93.1 Å²	93.1	20%	0.201	42%	0.424	C	S	.	.	I	π-helix	trans	-70.7	-49.3	-177.8	-71.8	174.8	-44	0	0	113.7	R437 R438 M456	R437-Q441 VanDerWaalsContact O-CB 3.24Å; R437-Q441 WeakPolarHBondContact O-CB 3.4Å; R437-Q441 WeakPolarHBondContact O-CG 3.42Å; R437-Q441 PolarHBondContact O-N 3.17Å; R437-Q441 PolarHBondContact O-OE1 2.84Å; R438-Q441 PolarHBondContact O-N 2.76Å; Q441-M456 HydrophobicContact CG-CE 4.07Å
442	F	62	Low	67.5	Low	174 Å²	174	90.3 Å²	90.3	76%	0.763	42%	0.418	S	S	*	.	I	π-helix	trans	-88.1	-25.4	-171.3	-83.2	-90.9	0	0	0	115.2	R438	R438-F442 WeakPolarHBondContact O-CB 3.1Å; R438-F442 PolarHBondContact O-N 3.08Å
443	G	61.6	Low	66.4	Low	48 Å²	48	90.5 Å²	90.5	50%	0.495	42%	0.419	S	S	.	.	I	π-helix	trans	-110.9	-36.1	-174.4	0	0	0	0	0	115.1	I439	I439-G443 PolarHBondContact O-N 3.31Å
444	L	66	Low	64.9	Low	36 Å²	36	93.8 Å²	93.8	19%	0.188	43%	0.429	C	S	.	.	I	π-helix	trans	-121.3	-38.9	-153.7	-60.6	170.3	0	0	0	114.4	I439 Q446 F447 F448 I642 L646	I439-L444 HydrophobicContact CG2-CD1 3.5Å; L444-Q446 VanDerWaalsContact C-N 3.29Å; L444-Q446 PolarHBondContact O-N 3.44Å; L444-F447 PolarHBondContact O-N 3.01Å; L444-F448 WeakPolarHBondContact O-CD2 3.49Å; L444-F448 PolarHBondContact O-N 3.35Å; L444-F448 VanDerWaalsContact O-N 3.15Å; L444-I642 HydrophobicContact CB-CG2 3.6Å; L444-I642 HydrophobicContact CD1-CG2 4.08Å; L444-I642 HydrophobicContact CG-CG2 4.46Å; L444-L646 HydrophobicContact CD1-CD1 3.53Å; L444-L646 HydrophobicContact CD2-CD1 3.78Å; L444-L646 HydrophobicContact CD2-CD2 3.88Å; L444-L646 HydrophobicContact CD2-CG 4.16Å; L444-L646 HydrophobicContact CG-CD1 4.19Å
445	C	60.8	Low	63.8	Low	4 Å²	4	88 Å²	88	3%	0.027	41%	0.407	C	S	.	.	H	α-helix	trans	-56.3	-48.8	173	-172.2	0	0	0	0	109.9	T440 F447 F448 Y449 C453 I642	T440-C445 WeakPolarHBondContact O-CB 3.44Å; T440-C445 PolarHBondContact O-N 3.3Å; C445-F447 PolarHBondContact O-N 3.49Å; C445-F448 PolarHBondContact O-N 2.98Å; C445-Y449 CarbonylContact O-C 3.51Å; C445-Y449 PolarHBondContact O-N 2.94Å; C445-C453 VanDerWaalsContact CA-SG 3.6Å; C445-C453 HydrophobicContact CB-CB 4.3Å; C445-C453 WeakPolarHBondContact CB-SG 3.29Å; C445-C453 PolarHBondContact O-SG 3.48Å; C445-C453 WeakPolarHBondContact SG-CA 3.36Å; C445-C453 WeakPolarHBondContact SG-CB 3.4Å; C445-C453 CovalentContact SG-SG 2.04Å; C445-C453 PolarHBondContact SG-SG 3.15Å; C445-I642 HydrophobicContact CB-CD1 4.03Å
446	Q	61	Low	62.6	Low	145 Å²	145	80.4 Å²	80.4	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-62.2	-24.2	-178.3	-169.6	172	2.1	0	0	113.8	L444	L444-Q446 VanDerWaalsContact C-N 3.29Å; L444-Q446 PolarHBondContact O-N 3.44Å
447	F	65.6	Low	61.5	Low	153 Å²	153	84 Å²	84	67%	0.671	40%	0.398	S	S	*	.	H	α-helix	trans	-84	-42.1	176.8	-170.2	-93.4	0	0	0	112.7	L444 C445 I649	L444-F447 PolarHBondContact O-N 3.01Å; C445-F447 PolarHBondContact O-N 3.49Å; F447-I649 HydrophobicContact CE1-CD1 3.98Å
448	F	67	Low	60.8	Low	45 Å²	45	84.5 Å²	84.5	20%	0.197	40%	0.402	C	S	.	.	H	α-helix	trans	-96.8	-29.3	-172.7	-74.1	-78.4	0	0	0	115.4	L444 C445 R645 L646 I649	L444-F448 WeakPolarHBondContact O-CD2 3.49Å; L444-F448 PolarHBondContact O-N 3.35Å; L444-F448 VanDerWaalsContact O-N 3.15Å; C445-F448 PolarHBondContact O-N 2.98Å; F448-R645 HydrophobicContact CD1-CB 3.62Å; F448-R645 HydrophobicContact CD1-CG 4.43Å; F448-R645 HydrophobicContact CE1-CB 3.67Å; F448-R645 WeakPolarHBondContact CE1-O 3.5Å; F448-R645 HydrophobicContact CG-CB 4.15Å; F448-R645 HydrophobicContact CZ-CB 4.27Å; F448-R645 WeakPolarHBondContact CZ-O 3.29Å; F448-L646 HydrophobicContact CE2-CD2 3.79Å; F448-L646 HydrophobicContact CE2-CG 3.71Å; F448-L646 HydrophobicContact CZ-CD2 4.1Å; F448-L646 HydrophobicContact CZ-CG 4.12Å; F448-I649 HydrophobicContact CE1-CD1 3.5Å; F448-I649 HydrophobicContact CE1-CG1 4.06Å; F448-I649 HydrophobicContact CZ-CD1 3.62Å; F448-I649 HydrophobicContact CZ-CG1 4.18Å
449	Y	63.2	Low	60.1	Low	70 Å²	70	76.7 Å²	76.7	28%	0.275	37%	0.374	S	S	.	.			trans	-142.7	60.3	-168.3	-75.3	-73.5	0	0	0	111.9	C445 E451 N452 C453 R645	C445-Y449 CarbonylContact O-C 3.51Å; C445-Y449 PolarHBondContact O-N 2.94Å; Y449-E451 PolarHBondContact O-N 2.78Å; Y449-N452 PolarHBondContact O-N 2.96Å; Y449-N452 VanDerWaalsContact O-N 3.1Å; Y449-C453 PolarHBondContact O-N 3.22Å; Y449-C453 PolarHBondContact O-SG 2.93Å; Y449-R645 HydrophobicContact CE2-CG 4.26Å
450	K	53.8	Low	59.5	Low	184 Å²	184	73.3 Å²	73.3	80%	0.8	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-31.1	-176.9	-168.5	179.4	179.6	-174.7	0	114.6
451	E	54.4	Low	58.9	Low	174 Å²	174	75.4 Å²	75.4	81%	0.813	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-44.8	179.3	-64.7	174.3	142.7	0	0	112.7	Y449 C453	Y449-E451 PolarHBondContact O-N 2.78Å; E451-C453 VanDerWaalsContact C-N 3.26Å; E451-C453 PolarHBondContact O-N 3.09Å
452	N	54.6	Low	58.8	Low	69 Å²	69	76 Å²	76	37%	0.369	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.2	-174.4	-57.4	-20	0	0	0	114.4	Y449 H454	Y449-N452 PolarHBondContact O-N 2.96Å; Y449-N452 VanDerWaalsContact O-N 3.1Å; N452-H454 VanDerWaalsContact C-N 3.25Å; N452-H454 PolarHBondContact O-N 2.94Å
453	C	52	Low	58.8	Low	18 Å²	18	68.1 Å²	68.1	12%	0.122	35%	0.347	C	S	.	.	H	α-helix	trans	-75.6	-12.8	177.6	-55.2	0	0	0	0	113.4	C445 Y449 E451 M456 N457	C445-C453 VanDerWaalsContact CA-SG 3.6Å; C445-C453 HydrophobicContact CB-CB 4.3Å; C445-C453 WeakPolarHBondContact CB-SG 3.29Å; C445-C453 PolarHBondContact O-SG 3.48Å; C445-C453 WeakPolarHBondContact SG-CA 3.36Å; C445-C453 WeakPolarHBondContact SG-CB 3.4Å; C445-C453 CovalentContact SG-SG 2.04Å; C445-C453 PolarHBondContact SG-SG 3.15Å; Y449-C453 PolarHBondContact O-N 3.22Å; Y449-C453 PolarHBondContact O-SG 2.93Å; E451-C453 VanDerWaalsContact C-N 3.26Å; E451-C453 PolarHBondContact O-N 3.09Å; C453-M456 PolarHBondContact O-N 2.79Å; C453-N457 PolarHBondContact O-N 3.25Å; C453-N457 VanDerWaalsContact O-N 3.15Å
454	H	50.3	Low	58.9	Low	121 Å²	121	68.5 Å²	68.5	56%	0.56	34%	0.342	S	S	*	.	H	α-helix	trans	-63.9	-52.8	172.3	-150.8	-87.1	0	0	0	110	N452 M456 N457 E458	N452-H454 VanDerWaalsContact C-N 3.25Å; N452-H454 PolarHBondContact O-N 2.94Å; H454-M456 PolarHBondContact O-N 3.34Å; H454-N457 PolarHBondContact O-N 3.44Å; H454-E458 IonicContact CE1-OE1 3.1Å; H454-E458 PolarHBondContact CE1-OE1 2.99Å; H454-E458 IonicContact ND1-OE1 3.34Å; H454-E458 PolarHBondContact ND1-OE1 2.69Å; H454-E458 IonicContact ND1-OE2 3.25Å; H454-E458 PolarHBondContact O-N 2.68Å
455	D	54	Low	58.7	Low	61 Å²	61	71 Å²	71	33%	0.326	36%	0.355	S	S	.	.	H	α-helix	trans	-53.1	-38.9	174	-55.2	12.9	0	0	0	112.8	S459 Y634	D455-S459 WeakPolarHBondContact O-CB 3.18Å; D455-S459 PolarHBondContact O-N 2.85Å; D455-S459 PolarHBondContact O-OG 2.71Å; D455-Y634 HydrophobicContact CB-CE1 4.02Å; D455-Y634 WeakPolarHBondContact CB-OH 3.42Å; D455-Y634 PolarHBondContact OD2-OH 3.49Å
456	M	55.7	Low	58.8	Low	5 Å²	5	72.1 Å²	72.1	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-69.1	-32.7	177.9	-83.9	-83.5	-75.5	0	0	113.2	Q441 C453 H454 S459 A460 I638	Q441-M456 HydrophobicContact CG-CE 4.07Å; C453-M456 PolarHBondContact O-N 2.79Å; H454-M456 PolarHBondContact O-N 3.34Å; M456-S459 WeakPolarHBondContact CA-OG 3.49Å; M456-S459 PolarHBondContact O-OG 3.46Å; M456-A460 WeakPolarHBondContact O-CB 3.28Å; M456-A460 PolarHBondContact O-N 3.5Å; M456-I638 HydrophobicContact CE-CG2 3.89Å; M456-I638 HydrophobicContact CG-CD1 3.57Å; M456-I638 HydrophobicContact CG-CG2 4.16Å; M456-I638 HydrophobicContact SD-CB 4.11Å; M456-I638 HydrophobicContact SD-CD1 3.8Å; M456-I638 HydrophobicContact SD-CG2 3.75Å
457	N	55.7	Low	59	Low	99 Å²	99	69.4 Å²	69.4	53%	0.529	35%	0.348	S	S	.	.	H	α-helix	trans	-81.2	-39.5	176.4	-74.2	-20	0	0	0	111.1	C453 H454 A460 A461	C453-N457 PolarHBondContact O-N 3.25Å; C453-N457 VanDerWaalsContact O-N 3.15Å; H454-N457 PolarHBondContact O-N 3.44Å; N457-A460 PolarHBondContact O-N 3.08Å; N457-A461 WeakPolarHBondContact O-CB 3.44Å; N457-A461 PolarHBondContact O-N 3.49Å
458	E	58.5	Low	58.9	Low	65 Å²	65	68.7 Å²	68.7	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-47.2	173.9	-72.3	-171.9	165.2	0	0	111.9	H454 A460 A461 I462 P590	H454-E458 IonicContact CE1-OE1 3.1Å; H454-E458 PolarHBondContact CE1-OE1 2.99Å; H454-E458 IonicContact ND1-OE1 3.34Å; H454-E458 PolarHBondContact ND1-OE1 2.69Å; H454-E458 IonicContact ND1-OE2 3.25Å; H454-E458 PolarHBondContact O-N 2.68Å; E458-A460 VanDerWaalsContact C-N 3.31Å; E458-A460 PolarHBondContact O-N 2.92Å; E458-A461 PolarHBondContact O-N 3.02Å; E458-A461 VanDerWaalsContact O-N 3.16Å; E458-I462 HydrophobicContact CB-CD1 4.43Å; E458-I462 VanDerWaalsContact O-CB 3.26Å; E458-I462 WeakPolarHBondContact O-CB 3.26Å; E458-I462 WeakPolarHBondContact O-CD1 3.32Å; E458-I462 WeakPolarHBondContact O-CG1 3.48Å; E458-I462 PolarHBondContact O-N 3.36Å; E458-P590 WeakPolarHBondContact OE2-CG 3.28Å
459	S	58.9	Low	58.7	Low	8 Å²	8	71.9 Å²	71.9	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-38.4	174.2	55.3	0	0	0	0	112.4	D455 M456 S463	D455-S459 WeakPolarHBondContact O-CB 3.18Å; D455-S459 PolarHBondContact O-N 2.85Å; D455-S459 PolarHBondContact O-OG 2.71Å; M456-S459 WeakPolarHBondContact CA-OG 3.49Å; M456-S459 PolarHBondContact O-OG 3.46Å; S459-S463 WeakPolarHBondContact O-CB 3.4Å; S459-S463 PolarHBondContact O-N 2.64Å; S459-S463 PolarHBondContact O-OG 3.44Å
460	A	60	Low	58.6	Low	15 Å²	15	71 Å²	71	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-46.1	172.5	0	0	0	0	0	112	M456 N457 E458 S463 S464	M456-A460 WeakPolarHBondContact O-CB 3.28Å; M456-A460 PolarHBondContact O-N 3.5Å; N457-A460 PolarHBondContact O-N 3.08Å; E458-A460 VanDerWaalsContact C-N 3.31Å; E458-A460 PolarHBondContact O-N 2.92Å; A460-S463 PolarHBondContact O-N 2.85Å; A460-S463 PolarHBondContact O-OG 3.1Å; A460-S464 PolarHBondContact O-N 2.82Å
461	A	58.5	Low	59.1	Low	47 Å²	47	65.7 Å²	65.7	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-49.9	176.8	0	0	0	0	0	111.9	N457 E458 S463 S464 L465	N457-A461 WeakPolarHBondContact O-CB 3.44Å; N457-A461 PolarHBondContact O-N 3.49Å; E458-A461 PolarHBondContact O-N 3.02Å; E458-A461 VanDerWaalsContact O-N 3.16Å; A461-S463 VanDerWaalsContact C-N 3.34Å; A461-S463 PolarHBondContact O-N 3.45Å; A461-S464 CarbonylContact O-C 3.57Å; A461-S464 PolarHBondContact O-N 2.92Å; A461-S464 PolarHBondContact O-OG 3.45Å; A461-L465 WeakPolarHBondContact O-CG 3.32Å; A461-L465 PolarHBondContact O-N 3.37Å
462	I	62.3	Low	59.3	Low	54 Å²	54	62.5 Å²	62.5	28%	0.277	33%	0.332	S	S	.	.	H	α-helix	trans	-56.9	-45.3	174.7	-69.4	165.1	0	0	0	110.2	E458 S464 L465 I466 L631	E458-I462 HydrophobicContact CB-CD1 4.43Å; E458-I462 VanDerWaalsContact O-CB 3.26Å; E458-I462 WeakPolarHBondContact O-CB 3.26Å; E458-I462 WeakPolarHBondContact O-CD1 3.32Å; E458-I462 WeakPolarHBondContact O-CG1 3.48Å; E458-I462 PolarHBondContact O-N 3.36Å; I462-S464 VanDerWaalsContact C-N 3.27Å; I462-S464 PolarHBondContact O-N 2.91Å; I462-L465 PolarHBondContact O-N 3.03Å; I462-I466 HydrophobicContact CG2-CD1 3.62Å; I462-I466 HydrophobicContact CG2-CG1 4.22Å; I462-I466 WeakPolarHBondContact O-CB 3.28Å; I462-I466 VanDerWaalsContact O-CG1 3.28Å; I462-I466 WeakPolarHBondContact O-CG1 3.4Å; I462-I466 PolarHBondContact O-N 3Å; I462-L631 HydrophobicContact CG2-CD1 4.04Å
463	S	61.6	Low	59.3	Low	9 Å²	9	61.9 Å²	61.9	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-36.7	176.3	73.7	0	0	0	0	112.5	R437 S459 A460 A461 E467	R437-S463 PolarHBondContact NH2-OG 3.32Å; S459-S463 WeakPolarHBondContact O-CB 3.4Å; S459-S463 PolarHBondContact O-N 2.64Å; S459-S463 PolarHBondContact O-OG 3.44Å; A460-S463 PolarHBondContact O-N 2.85Å; A460-S463 PolarHBondContact O-OG 3.1Å; A461-S463 VanDerWaalsContact C-N 3.34Å; A461-S463 PolarHBondContact O-N 3.45Å; S463-E467 WeakPolarHBondContact O-CB 3.43Å; S463-E467 PolarHBondContact O-N 2.86Å; S463-E467 VanDerWaalsContact O-N 3.14Å
464	S	63.4	Low	59.6	Low	56 Å²	56	63.9 Å²	63.9	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-76	-31.3	176.6	80.5	0	0	0	0	113.5	A460 A461 I462 K468	A460-S464 PolarHBondContact O-N 2.82Å; A461-S464 CarbonylContact O-C 3.57Å; A461-S464 PolarHBondContact O-N 2.92Å; A461-S464 PolarHBondContact O-OG 3.45Å; I462-S464 VanDerWaalsContact C-N 3.27Å; I462-S464 PolarHBondContact O-N 2.91Å; S464-K468 WeakPolarHBondContact O-CG 3.33Å; S464-K468 PolarHBondContact O-N 3.47Å
465	L	61.7	Low	60.3	Low	88 Å²	88	62.9 Å²	62.9	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-71	-46.2	173.5	-73.4	168.8	0	0	0	110.4	A461 I462 E467 K468 F469	A461-L465 WeakPolarHBondContact O-CG 3.32Å; A461-L465 PolarHBondContact O-N 3.37Å; I462-L465 PolarHBondContact O-N 3.03Å; L465-E467 PolarHBondContact O-N 2.79Å; L465-K468 CarbonylContact O-C 3.52Å; L465-K468 WeakPolarHBondContact O-CB 3.41Å; L465-K468 PolarHBondContact O-N 2.91Å; L465-K468 VanDerWaalsContact O-N 3.12Å; L465-F469 WeakPolarHBondContact O-CD2 3.24Å; L465-F469 PolarHBondContact O-N 2.77Å
466	I	63.6	Low	60.4	Low	29 Å²	29	65.5 Å²	65.5	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-57.1	-38.9	174.5	-71.9	173	0	0	0	111.2	I462 F469 S470 Q624 I627 T628	I462-I466 HydrophobicContact CG2-CD1 3.62Å; I462-I466 HydrophobicContact CG2-CG1 4.22Å; I462-I466 WeakPolarHBondContact O-CB 3.28Å; I462-I466 VanDerWaalsContact O-CG1 3.28Å; I462-I466 WeakPolarHBondContact O-CG1 3.4Å; I462-I466 PolarHBondContact O-N 3Å; I466-F469 PolarHBondContact O-N 3.29Å; I466-S470 PolarHBondContact O-N 2.87Å; I466-S470 PolarHBondContact O-OG 2.91Å; I466-Q624 HydrophobicContact CG2-CG 4.02Å; I466-I627 HydrophobicContact CD1-CG2 4.22Å; I466-T628 HydrophobicContact CD1-CG2 4.14Å; I466-T628 HydrophobicContact CG2-CG2 3.71Å
467	E	63.6	Low	60.6	Low	88 Å²	88	70.8 Å²	70.8	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-75	-28.8	177.7	-169.7	165.8	175	0	0	113.4	R431 S463 L465 S470 T471	R431-E467 IonicContact CZ-OE2 3.67Å; R431-E467 VanDerWaalsContact NH1-CD 3.3Å; R431-E467 IonicContact NH1-OE1 3.76Å; R431-E467 PolarHBondContact NH1-OE1 2.04Å; R431-E467 IonicContact NH1-OE2 3.44Å; R431-E467 PolarHBondContact NH1-OE2 3.45Å; R431-E467 IonicContact NH2-OE2 2.69Å; R431-E467 PolarHBondContact NH2-OE2 3.09Å; S463-E467 WeakPolarHBondContact O-CB 3.43Å; S463-E467 PolarHBondContact O-N 2.86Å; S463-E467 VanDerWaalsContact O-N 3.14Å; L465-E467 PolarHBondContact O-N 2.79Å; E467-S470 PolarHBondContact O-OG 2.9Å; E467-T471 WeakPolarHBondContact O-CG2 3.45Å; E467-T471 PolarHBondContact O-N 3.11Å; E467-T471 PolarHBondContact O-OG1 2.94Å
468	K	64.9	Low	61.1	Low	138 Å²	138	72.7 Å²	72.7	60%	0.6	38%	0.379	S	S	*	.	H	α-helix	trans	-71.1	-39.5	166.5	-77	177.3	176.3	-178	0	111.9	S464 L465 T471 M472	S464-K468 WeakPolarHBondContact O-CG 3.33Å; S464-K468 PolarHBondContact O-N 3.47Å; L465-K468 CarbonylContact O-C 3.52Å; L465-K468 WeakPolarHBondContact O-CB 3.41Å; L465-K468 PolarHBondContact O-N 2.91Å; L465-K468 VanDerWaalsContact O-N 3.12Å; K468-T471 WeakPolarHBondContact CA-OG1 3.4Å; K468-T471 PolarHBondContact O-OG1 3.04Å; K468-T471 VanDerWaalsContact O-OG1 3.11Å; K468-M472 WeakPolarHBondContact O-CB 3.18Å; K468-M472 WeakPolarHBondContact O-CG 3.19Å; K468-M472 PolarHBondContact O-N 3.01Å
469	F	61.2	Low	61.5	Low	112 Å²	112	75.6 Å²	75.6	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-68.6	-40.7	176.5	-82.1	-65	0	0	0	111.9	L465 I466 M472 N473	L465-F469 WeakPolarHBondContact O-CD2 3.24Å; L465-F469 PolarHBondContact O-N 2.77Å; I466-F469 PolarHBondContact O-N 3.29Å; F469-M472 PolarHBondContact O-N 3.39Å; F469-N473 VanDerWaalsContact O-CB 3.31Å; F469-N473 WeakPolarHBondContact O-CB 3.5Å; F469-N473 PolarHBondContact O-N 2.87Å; F469-N473 PolarHBondContact O-OD1 2.9Å
470	S	61.7	Low	61.3	Low	52 Å²	52	80.9 Å²	80.9	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-68.1	-35.1	176.4	65.6	0	0	0	0	112.8	I466 E467 S474	I466-S470 PolarHBondContact O-N 2.87Å; I466-S470 PolarHBondContact O-OG 2.91Å; E467-S470 PolarHBondContact O-OG 2.9Å; S470-S474 PolarHBondContact O-N 3.07Å; S470-S474 PolarHBondContact O-OG 2.59Å
471	T	64.1	Low	61.3	Low	72 Å²	72	86.9 Å²	86.9	44%	0.442	44%	0.442	S	S	.	.	H	α-helix	trans	-72.9	-35.3	172.8	49.8	0	0	0	0	112.8	E467 K468 S474 I475	E467-T471 WeakPolarHBondContact O-CG2 3.45Å; E467-T471 PolarHBondContact O-N 3.11Å; E467-T471 PolarHBondContact O-OG1 2.94Å; K468-T471 WeakPolarHBondContact CA-OG1 3.4Å; K468-T471 PolarHBondContact O-OG1 3.04Å; K468-T471 VanDerWaalsContact O-OG1 3.11Å; T471-S474 PolarHBondContact O-OG 2.75Å; T471-I475 WeakPolarHBondContact O-CD1 3.42Å; T471-I475 VanDerWaalsContact O-CG1 3.23Å; T471-I475 WeakPolarHBondContact O-CG1 3.05Å; T471-I475 PolarHBondContact O-N 2.9Å
472	M	58.6	Low	61.7	Low	106 Å²	106	89.4 Å²	89.4	52%	0.522	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-42.8	169.7	-79.5	-168.5	65.9	0	0	112.5	K468 F469 I475 Q476	K468-M472 WeakPolarHBondContact O-CB 3.18Å; K468-M472 WeakPolarHBondContact O-CG 3.19Å; K468-M472 PolarHBondContact O-N 3.01Å; F469-M472 PolarHBondContact O-N 3.39Å; M472-I475 PolarHBondContact O-N 2.95Å; M472-Q476 WeakPolarHBondContact O-CG 3.44Å; M472-Q476 PolarHBondContact O-N 2.99Å
473	N	55.2	Low	61.9	Low	57 Å²	57	90.9 Å²	90.9	31%	0.305	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-44	179	-72.5	6.4	0	0	0	111.3	F469 I475 Q476 E477	F469-N473 VanDerWaalsContact O-CB 3.31Å; F469-N473 WeakPolarHBondContact O-CB 3.5Å; F469-N473 PolarHBondContact O-N 2.87Å; F469-N473 PolarHBondContact O-OD1 2.9Å; N473-I475 VanDerWaalsContact C-N 3.3Å; N473-I475 PolarHBondContact O-N 2.72Å; N473-Q476 CarbonylContact O-C 3.57Å; N473-Q476 WeakPolarHBondContact O-CB 3.4Å; N473-Q476 PolarHBondContact O-N 3.45Å; N473-Q476 VanDerWaalsContact O-N 3.09Å; N473-E477 WeakPolarHBondContact O-CB 3.13Å; N473-E477 WeakPolarHBondContact O-CG 3.43Å; N473-E477 PolarHBondContact O-N 3.1Å
474	S	58.8	Low	62	Low	60 Å²	60	94.5 Å²	94.5	42%	0.42	47%	0.472	S	S	.	.	H	α-helix	trans	-67.2	-30.1	177.7	65.5	0	0	0	0	113.2	S470 T471 K478	S470-S474 PolarHBondContact O-N 3.07Å; S470-S474 PolarHBondContact O-OG 2.59Å; T471-S474 PolarHBondContact O-OG 2.75Å; S474-K478 WeakPolarHBondContact O-CB 3.5Å; S474-K478 PolarHBondContact O-N 3.04Å
475	I	63.9	Low	61.9	Low	99 Å²	99	95.4 Å²	95.4	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-69	-39.5	169.8	-68.2	165.9	0	0	0	111.1	T471 M472 N473 K479	T471-I475 WeakPolarHBondContact O-CD1 3.42Å; T471-I475 VanDerWaalsContact O-CG1 3.23Å; T471-I475 WeakPolarHBondContact O-CG1 3.05Å; T471-I475 PolarHBondContact O-N 2.9Å; M472-I475 PolarHBondContact O-N 2.95Å; N473-I475 VanDerWaalsContact C-N 3.3Å; N473-I475 PolarHBondContact O-N 2.72Å; I475-K479 WeakPolarHBondContact O-CG 3.35Å; I475-K479 PolarHBondContact O-N 3.02Å; I475-K479 VanDerWaalsContact O-N 3.1Å
476	Q	56.9	Low	62.3	Low	117 Å²	117	97.1 Å²	97.1	55%	0.547	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-45.3	175.3	-75.9	-177.9	-11.9	0	0	112	M472 N473 K478 K479 L480	M472-Q476 WeakPolarHBondContact O-CG 3.44Å; M472-Q476 PolarHBondContact O-N 2.99Å; N473-Q476 CarbonylContact O-C 3.57Å; N473-Q476 WeakPolarHBondContact O-CB 3.4Å; N473-Q476 PolarHBondContact O-N 3.45Å; N473-Q476 VanDerWaalsContact O-N 3.09Å; Q476-K478 VanDerWaalsContact C-N 3.34Å; Q476-K478 PolarHBondContact O-N 3.09Å; Q476-K479 PolarHBondContact O-N 2.99Å; Q476-L480 VanDerWaalsContact O-CB 3.28Å; Q476-L480 WeakPolarHBondContact O-CB 3.4Å; Q476-L480 PolarHBondContact O-N 3.08Å
477	E	59.5	Low	62.3	Low	116 Å²	116	99.9 Å²	99.9	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-43.1	175.8	-73.9	175	162.9	0	0	111.4	N473 L480 F481	N473-E477 WeakPolarHBondContact O-CB 3.13Å; N473-E477 WeakPolarHBondContact O-CG 3.43Å; N473-E477 PolarHBondContact O-N 3.1Å; E477-L480 PolarHBondContact O-N 3.04Å; E477-F481 WeakPolarHBondContact O-CB 3.47Å; E477-F481 PolarHBondContact O-N 3.26Å
478	K	66	Low	62.4	Low	138 Å²	138	99 Å²	99	60%	0.6	49%	0.489	S	S	*	.	H	α-helix	trans	-62	-46.2	175.9	-172.2	177.4	177.5	-175.7	0	112.2	S474 Q476 F481 E482	S474-K478 WeakPolarHBondContact O-CB 3.5Å; S474-K478 PolarHBondContact O-N 3.04Å; Q476-K478 VanDerWaalsContact C-N 3.34Å; Q476-K478 PolarHBondContact O-N 3.09Å; K478-F481 WeakPolarHBondContact O-CB 3.43Å; K478-F481 PolarHBondContact O-N 2.9Å; K478-E482 PolarHBondContact O-N 2.82Å
479	K	66.4	Low	62.3	Low	127 Å²	127	96.3 Å²	96.3	55%	0.552	48%	0.484	S	S	*	.	H	α-helix	trans	-65	-37.5	175.6	-75.4	-174.7	172.9	-167.9	0	112.7	I475 Q476 F481 E482 I483	I475-K479 WeakPolarHBondContact O-CG 3.35Å; I475-K479 PolarHBondContact O-N 3.02Å; I475-K479 VanDerWaalsContact O-N 3.1Å; Q476-K479 PolarHBondContact O-N 2.99Å; K479-F481 VanDerWaalsContact C-N 3.3Å; K479-E482 PolarHBondContact O-N 3.45Å; K479-I483 VanDerWaalsContact O-CG1 3.32Å; K479-I483 WeakPolarHBondContact O-CG1 3.31Å; K479-I483 PolarHBondContact O-N 3.24Å
480	L	56.1	Low	62.5	Low	118 Å²	118	96.2 Å²	96.2	62%	0.618	49%	0.488	S	S	*	.	H	α-helix	trans	-65.2	-37.2	176	-170.6	70.1	0	0	0	110.9	Q476 E477 N484	Q476-L480 VanDerWaalsContact O-CB 3.28Å; Q476-L480 WeakPolarHBondContact O-CB 3.4Å; Q476-L480 PolarHBondContact O-N 3.08Å; E477-L480 PolarHBondContact O-N 3.04Å; L480-N484 WeakPolarHBondContact O-CB 3.28Å; L480-N484 PolarHBondContact O-N 2.83Å
481	F	58.6	Low	62.5	Low	142 Å²	142	97 Å²	97	62%	0.623	49%	0.491	S	S	*	.	H	α-helix	trans	-67.2	-40.5	174.5	-170.4	-97.1	0	0	0	112.3	E477 K478 K479 N485	E477-F481 WeakPolarHBondContact O-CB 3.47Å; E477-F481 PolarHBondContact O-N 3.26Å; K478-F481 WeakPolarHBondContact O-CB 3.43Å; K478-F481 PolarHBondContact O-N 2.9Å; K479-F481 VanDerWaalsContact C-N 3.3Å; F481-N485 VanDerWaalsContact CD1-ND2 3.35Å; F481-N485 WeakPolarHBondContact CD1-ND2 3.4Å; F481-N485 WeakPolarHBondContact CE1-ND2 3.43Å; F481-N485 PolarHBondContact O-N 2.74Å; F481-N485 VanDerWaalsContact O-N 3.14Å; F481-N485 PolarHBondContact O-ND2 3.28Å
482	E	68.3	Low	62.4	Low	99 Å²	99	100 Å²	100	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-59.2	-54.3	172.2	-72.7	163.5	172.8	0	0	110.7	K478 K479 N484 N485 E486	K478-E482 PolarHBondContact O-N 2.82Å; K479-E482 PolarHBondContact O-N 3.45Å; E482-N484 VanDerWaalsContact C-N 3.35Å; E482-N484 PolarHBondContact O-N 2.87Å; E482-N485 PolarHBondContact O-N 3.49Å; E482-E486 PolarHBondContact O-N 3.42Å
483	I	65.5	Low	62.8	Low	86 Å²	86	99.6 Å²	99.6	44%	0.441	50%	0.497	S	S	.	.	H	α-helix	trans	-59.6	-40.6	178.5	-67.1	164.5	0	0	0	112.3	K479 N485 E486 I487	K479-I483 VanDerWaalsContact O-CG1 3.32Å; K479-I483 WeakPolarHBondContact O-CG1 3.31Å; K479-I483 PolarHBondContact O-N 3.24Å; I483-N485 VanDerWaalsContact C-N 3.32Å; I483-N485 PolarHBondContact O-N 3.14Å; I483-E486 PolarHBondContact O-N 2.98Å; I483-I487 HydrophobicContact CG2-CD1 3.86Å; I483-I487 HydrophobicContact CG2-CG1 4.43Å; I483-I487 WeakPolarHBondContact O-CG1 3.36Å; I483-I487 PolarHBondContact O-N 2.87Å
484	N	64.6	Low	63.1	Low	85 Å²	85	99.6 Å²	99.6	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-69.1	-31.6	-178.7	-161.2	35	0	0	0	111.9	L480 E482 I487 I488	L480-N484 WeakPolarHBondContact O-CB 3.28Å; L480-N484 PolarHBondContact O-N 2.83Å; E482-N484 VanDerWaalsContact C-N 3.35Å; E482-N484 PolarHBondContact O-N 2.87Å; N484-I487 PolarHBondContact O-N 2.79Å; N484-I488 WeakPolarHBondContact O-CD1 3.09Å; N484-I488 VanDerWaalsContact O-CG1 3.22Å; N484-I488 WeakPolarHBondContact O-CG1 3.42Å; N484-I488 PolarHBondContact O-N 2.83Å
485	N	60.9	Low	62.9	Low	74 Å²	74	101.7 Å²	101.7	40%	0.396	51%	0.508	S	S	.	.	H	α-helix	trans	-67.6	-39.5	171.2	-76.1	-58.4	0	0	0	112	F481 E482 I483 I488 T489	F481-N485 VanDerWaalsContact CD1-ND2 3.35Å; F481-N485 WeakPolarHBondContact CD1-ND2 3.4Å; F481-N485 WeakPolarHBondContact CE1-ND2 3.43Å; F481-N485 PolarHBondContact O-N 2.74Å; F481-N485 VanDerWaalsContact O-N 3.14Å; F481-N485 PolarHBondContact O-ND2 3.28Å; E482-N485 PolarHBondContact O-N 3.49Å; I483-N485 VanDerWaalsContact C-N 3.32Å; I483-N485 PolarHBondContact O-N 3.14Å; N485-I488 PolarHBondContact O-N 2.79Å; N485-T489 PolarHBondContact O-N 2.86Å
486	E	70.6	Confident	62.7	Low	124 Å²	124	102.8 Å²	102.8	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-62.9	-41.2	173	-65.7	-179.3	155.7	0	0	112.1	E482 I483 I488 T489 L490	E482-E486 PolarHBondContact O-N 3.42Å; I483-E486 PolarHBondContact O-N 2.98Å; E486-I488 VanDerWaalsContact C-N 3.3Å; E486-I488 PolarHBondContact O-N 2.79Å; E486-T489 PolarHBondContact O-N 2.8Å; E486-T489 PolarHBondContact O-OG1 2.89Å; E486-L490 WeakPolarHBondContact O-CB 3.43Å; E486-L490 VanDerWaalsContact O-CG 3.31Å; E486-L490 WeakPolarHBondContact O-CG 3.41Å; E486-L490 PolarHBondContact O-N 3.09Å
487	I	63.7	Low	62.7	Low	87 Å²	87	102.2 Å²	102.2	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-36.8	174.8	-68.7	168.8	0	0	0	111.2	I483 N484 L490 T491	I483-I487 HydrophobicContact CG2-CD1 3.86Å; I483-I487 HydrophobicContact CG2-CG1 4.43Å; I483-I487 WeakPolarHBondContact O-CG1 3.36Å; I483-I487 PolarHBondContact O-N 2.87Å; N484-I487 PolarHBondContact O-N 2.79Å; I487-L490 PolarHBondContact O-N 2.74Å; I487-T491 PolarHBondContact O-N 3.36Å; I487-T491 PolarHBondContact O-OG1 3.45Å
488	I	64	Low	62.2	Low	70 Å²	70	104 Å²	104	36%	0.359	52%	0.517	S	S	.	.	H	α-helix	trans	-69.4	-34.9	176.8	-71.3	164.4	0	0	0	112.1	N484 N485 E486 T491 K492	N484-I488 WeakPolarHBondContact O-CD1 3.09Å; N484-I488 VanDerWaalsContact O-CG1 3.22Å; N484-I488 WeakPolarHBondContact O-CG1 3.42Å; N484-I488 PolarHBondContact O-N 2.83Å; N485-I488 PolarHBondContact O-N 2.79Å; E486-I488 VanDerWaalsContact C-N 3.3Å; E486-I488 PolarHBondContact O-N 2.79Å; I488-T491 WeakPolarHBondContact CA-OG1 3.45Å; I488-T491 PolarHBondContact O-OG1 3.43Å; I488-K492 WeakPolarHBondContact O-CG 3.11Å; I488-K492 PolarHBondContact O-N 3.01Å
489	T	64.7	Low	61.8	Low	81 Å²	81	101.8 Å²	101.8	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-73.2	-39.3	173.6	57.9	0	0	0	0	111.6	N485 E486 K492 L493	N485-T489 PolarHBondContact O-N 2.86Å; E486-T489 PolarHBondContact O-N 2.8Å; E486-T489 PolarHBondContact O-OG1 2.89Å; T489-K492 PolarHBondContact O-N 3.06Å; T489-L493 PolarHBondContact O-N 3.49Å
490	L	65.3	Low	61.3	Low	111 Å²	111	99.6 Å²	99.6	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-64.7	-39.3	175.5	-72	170.7	0	0	0	113	E486 I487 L493 S494	E486-L490 WeakPolarHBondContact O-CB 3.43Å; E486-L490 VanDerWaalsContact O-CG 3.31Å; E486-L490 WeakPolarHBondContact O-CG 3.41Å; E486-L490 PolarHBondContact O-N 3.09Å; I487-L490 PolarHBondContact O-N 2.74Å; L490-L493 WeakPolarHBondContact O-CB 3.44Å; L490-L493 PolarHBondContact O-N 3.21Å; L490-S494 PolarHBondContact O-N 2.9Å
491	T	60.3	Low	61.2	Low	67 Å²	67	98.5 Å²	98.5	41%	0.411	50%	0.504	S	S	.	.	H	α-helix	trans	-69.6	-32.2	175.2	36.5	0	0	0	0	113.1	I487 I488 S494 N495	I487-T491 PolarHBondContact O-N 3.36Å; I487-T491 PolarHBondContact O-OG1 3.45Å; I488-T491 WeakPolarHBondContact CA-OG1 3.45Å; I488-T491 PolarHBondContact O-OG1 3.43Å; T491-S494 WeakPolarHBondContact CA-OG 3.35Å; T491-S494 PolarHBondContact O-OG 2.93Å; T491-N495 WeakPolarHBondContact O-CB 3.49Å; T491-N495 PolarHBondContact O-N 3.04Å; T491-N495 VanDerWaalsContact O-N 3.07Å; T491-N495 PolarHBondContact O-ND2 3.34Å; T491-N495 PolarHBondContact O-OD1 2.6Å
492	K	62.9	Low	61	Low	135 Å²	135	94.5 Å²	94.5	59%	0.587	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-43.9	169	-73.7	172.7	-178.7	179.2	0	111.1	I488 T489 N495 L496	I488-K492 WeakPolarHBondContact O-CG 3.11Å; I488-K492 PolarHBondContact O-N 3.01Å; T489-K492 PolarHBondContact O-N 3.06Å; K492-N495 PolarHBondContact O-N 3.13Å; K492-L496 WeakPolarHBondContact O-CG 3.38Å; K492-L496 PolarHBondContact O-N 3.24Å; K492-L496 VanDerWaalsContact O-N 3.1Å
493	L	66.5	Low	60.2	Low	98 Å²	98	94.1 Å²	94.1	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-44.2	174.9	-92.7	161.8	0	0	0	112.9	T489 L490 N495 L496 L497	T489-L493 PolarHBondContact O-N 3.49Å; L490-L493 WeakPolarHBondContact O-CB 3.44Å; L490-L493 PolarHBondContact O-N 3.21Å; L493-N495 VanDerWaalsContact C-N 3.33Å; L493-N495 PolarHBondContact O-N 2.98Å; L493-L496 PolarHBondContact O-N 2.8Å; L493-L497 WeakPolarHBondContact O-CG 3.32Å; L493-L497 PolarHBondContact O-N 3.17Å
494	S	60.7	Low	59.5	Low	57 Å²	57	93.6 Å²	93.6	40%	0.399	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-37.8	178.6	66.3	0	0	0	0	112.3	L490 T491 L497 Y498	L490-S494 PolarHBondContact O-N 2.9Å; T491-S494 WeakPolarHBondContact CA-OG 3.35Å; T491-S494 PolarHBondContact O-OG 2.93Å; S494-L497 PolarHBondContact O-N 2.83Å; S494-Y498 WeakPolarHBondContact O-CB 3.34Å; S494-Y498 PolarHBondContact O-N 3.4Å
495	N	56	Low	58.7	Low	105 Å²	105	96 Å²	96	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-40.2	176.7	-70.5	-6.7	0	0	0	111.7	T491 K492 L493 Y498 V499	T491-N495 WeakPolarHBondContact O-CB 3.49Å; T491-N495 PolarHBondContact O-N 3.04Å; T491-N495 VanDerWaalsContact O-N 3.07Å; T491-N495 PolarHBondContact O-ND2 3.34Å; T491-N495 PolarHBondContact O-OD1 2.6Å; K492-N495 PolarHBondContact O-N 3.13Å; L493-N495 VanDerWaalsContact C-N 3.33Å; L493-N495 PolarHBondContact O-N 2.98Å; N495-Y498 PolarHBondContact O-N 3.22Å; N495-V499 WeakPolarHBondContact O-CG2 3.35Å; N495-V499 PolarHBondContact O-N 2.96Å
496	L	59.1	Low	58.5	Low	121 Å²	121	98 Å²	98	63%	0.634	50%	0.502	S	S	*	.	H	α-helix	trans	-63.8	-41.2	173.8	-70.4	169.4	0	0	0	112	K492 L493 V499 N500	K492-L496 WeakPolarHBondContact O-CG 3.38Å; K492-L496 PolarHBondContact O-N 3.24Å; K492-L496 VanDerWaalsContact O-N 3.1Å; L493-L496 PolarHBondContact O-N 2.8Å; L496-V499 PolarHBondContact O-N 3.35Å; L496-N500 WeakPolarHBondContact O-CB 3.45Å; L496-N500 PolarHBondContact O-N 2.86Å
497	L	56.7	Low	57.6	Low	105 Å²	105	96.1 Å²	96.1	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-66	-38.4	175.2	-73.9	168.7	0	0	0	112.6	L493 S494 N500 N501	L493-L497 WeakPolarHBondContact O-CG 3.32Å; L493-L497 PolarHBondContact O-N 3.17Å; S494-L497 PolarHBondContact O-N 2.83Å; L497-N500 PolarHBondContact O-N 3.4Å; L497-N501 WeakPolarHBondContact O-CB 3.28Å; L497-N501 PolarHBondContact O-N 3.1Å
498	Y	50	Low	56.7	Low	153 Å²	153	98.8 Å²	98.8	60%	0.6	51%	0.505	S	S	*	.	H	α-helix	trans	-65.3	-45.6	175.4	-178	-98	0	0	0	111.8	S494 N495 N500 N501 N502	S494-Y498 WeakPolarHBondContact O-CB 3.34Å; S494-Y498 PolarHBondContact O-N 3.4Å; N495-Y498 PolarHBondContact O-N 3.22Å; Y498-N500 PolarHBondContact O-N 3.3Å; Y498-N501 PolarHBondContact O-N 2.86Å; Y498-N502 PolarHBondContact O-N 2.92Å
499	V	56.4	Low	56	Low	92 Å²	92	98.3 Å²	98.3	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-59.8	-46.2	174.5	169.9	0	0	0	0	110.9	N495 L496 N501 N502 L503	N495-V499 WeakPolarHBondContact O-CG2 3.35Å; N495-V499 PolarHBondContact O-N 2.96Å; L496-V499 PolarHBondContact O-N 3.35Å; V499-N501 VanDerWaalsContact C-N 3.35Å; V499-N501 PolarHBondContact O-N 2.89Å; V499-N502 PolarHBondContact O-N 2.92Å; V499-L503 WeakPolarHBondContact O-CB 3.3Å; V499-L503 PolarHBondContact O-N 2.83Å
500	N	56.1	Low	55.3	Low	82 Å²	82	99.3 Å²	99.3	44%	0.439	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-39.1	178.2	-167.9	35.4	0	0	0	112.7	L496 L497 Y498 L503 N504	L496-N500 WeakPolarHBondContact O-CB 3.45Å; L496-N500 PolarHBondContact O-N 2.86Å; L497-N500 PolarHBondContact O-N 3.4Å; Y498-N500 PolarHBondContact O-N 3.3Å; N500-L503 PolarHBondContact O-N 2.85Å; N500-N504 WeakPolarHBondContact O-CB 3.49Å; N500-N504 PolarHBondContact O-N 2.93Å; N500-N504 PolarHBondContact O-ND2 2.99Å
501	N	53.7	Low	54.3	Low	94 Å²	94	97.7 Å²	97.7	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-71	-33.1	176.9	-81	-18.2	0	0	0	113.4	L497 Y498 V499 K505	L497-N501 WeakPolarHBondContact O-CB 3.28Å; L497-N501 PolarHBondContact O-N 3.1Å; Y498-N501 PolarHBondContact O-N 2.86Å; V499-N501 VanDerWaalsContact C-N 3.35Å; V499-N501 PolarHBondContact O-N 2.89Å; N501-K505 WeakPolarHBondContact O-CG 3.24Å; N501-K505 PolarHBondContact O-N 2.94Å
502	N	54.5	Low	53.7	Low	58 Å²	58	99.8 Å²	99.8	31%	0.31	51%	0.511	S	S	.	.	H	α-helix	trans	-71.9	-40.5	170.9	-86	9	0	0	0	111.6	Y498 V499 N504 K505 E506	Y498-N502 PolarHBondContact O-N 2.92Å; V499-N502 PolarHBondContact O-N 2.92Å; N502-N504 VanDerWaalsContact C-N 3.32Å; N502-N504 PolarHBondContact O-N 2.66Å; N502-K505 WeakPolarHBondContact O-CB 3.3Å; N502-K505 PolarHBondContact O-N 2.86Å; N502-E506 PolarHBondContact O-N 2.93Å
503	L	51.3	Low	53	Low	91 Å²	91	97.5 Å²	97.5	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-43.7	175.7	-154	81.3	0	0	0	111.3	V499 N500 K505 E506 I507	V499-L503 WeakPolarHBondContact O-CB 3.3Å; V499-L503 PolarHBondContact O-N 2.83Å; N500-L503 PolarHBondContact O-N 2.85Å; L503-K505 VanDerWaalsContact C-N 3.31Å; L503-K505 PolarHBondContact O-N 3.15Å; L503-E506 PolarHBondContact O-N 3.07Å; L503-I507 HydrophobicContact CD2-CD1 4.32Å; L503-I507 HydrophobicContact CG-CD1 4.14Å; L503-I507 WeakPolarHBondContact O-CB 3.08Å; L503-I507 WeakPolarHBondContact O-CD1 3.36Å; L503-I507 WeakPolarHBondContact O-CG1 3.29Å; L503-I507 PolarHBondContact O-N 2.87Å
504	N	52	Low	51.8	Low	75 Å²	75	100 Å²	100	40%	0.401	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-33.3	174.1	-80.5	-38.4	0	0	0	113.2	N500 N502 Q508	N500-N504 WeakPolarHBondContact O-CB 3.49Å; N500-N504 PolarHBondContact O-N 2.93Å; N500-N504 PolarHBondContact O-ND2 2.99Å; N502-N504 VanDerWaalsContact C-N 3.32Å; N502-N504 PolarHBondContact O-N 2.66Å; N504-Q508 WeakPolarHBondContact O-CB 3.38Å; N504-Q508 VanDerWaalsContact O-CG 3.3Å; N504-Q508 WeakPolarHBondContact O-CG 3.27Å; N504-Q508 PolarHBondContact O-N 3Å
505	K	48	Very low	50.7	Low	135 Å²	135	104.2 Å²	104.2	59%	0.587	52%	0.521	S	S	*	.	H	α-helix	trans	-71.7	-42.1	175.5	-76.8	175.9	177.3	-179.1	0	112.5	N501 N502 L503 Q508 S509	N501-K505 WeakPolarHBondContact O-CG 3.24Å; N501-K505 PolarHBondContact O-N 2.94Å; N502-K505 WeakPolarHBondContact O-CB 3.3Å; N502-K505 PolarHBondContact O-N 2.86Å; L503-K505 VanDerWaalsContact C-N 3.31Å; L503-K505 PolarHBondContact O-N 3.15Å; K505-Q508 PolarHBondContact O-N 3.08Å; K505-S509 PolarHBondContact O-N 3.08Å
506	E	55.5	Low	50.1	Low	117 Å²	117	104.9 Å²	104.9	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-41.9	175	-70.6	-178.5	170.9	0	0	111	N502 L503 Q508 S509 I510	N502-E506 PolarHBondContact O-N 2.93Å; L503-E506 PolarHBondContact O-N 3.07Å; E506-Q508 VanDerWaalsContact C-N 3.31Å; E506-Q508 PolarHBondContact O-N 2.89Å; E506-S509 PolarHBondContact O-N 2.95Å; E506-S509 PolarHBondContact O-OG 2.84Å; E506-I510 WeakPolarHBondContact O-CB 3.49Å; E506-I510 WeakPolarHBondContact O-CD1 3.48Å; E506-I510 WeakPolarHBondContact O-CG1 3.32Å; E506-I510 PolarHBondContact O-N 2.88Å
507	I	51.3	Low	49.2	Very low	84 Å²	84	105.5 Å²	105.5	43%	0.431	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-41.5	172.7	-69.1	165	0	0	0	110.7	L503 C511	L503-I507 HydrophobicContact CD2-CD1 4.32Å; L503-I507 HydrophobicContact CG-CD1 4.14Å; L503-I507 WeakPolarHBondContact O-CB 3.08Å; L503-I507 WeakPolarHBondContact O-CD1 3.36Å; L503-I507 WeakPolarHBondContact O-CG1 3.29Å; L503-I507 PolarHBondContact O-N 2.87Å; I507-C511 VanDerWaalsContact O-CB 3.29Å; I507-C511 WeakPolarHBondContact O-CB 3.47Å; I507-C511 PolarHBondContact O-N 2.86Å; I507-C511 PolarHBondContact O-SG 3.16Å; I507-C511 VanDerWaalsContact O-SG 3.34Å
508	Q	45.7	Very low	48.2	Very low	143 Å²	143	105 Å²	105	67%	0.668	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-38	175.9	-80.6	-177.7	-19.7	0	0	113.5	N504 K505 E506 H512	N504-Q508 WeakPolarHBondContact O-CB 3.38Å; N504-Q508 VanDerWaalsContact O-CG 3.3Å; N504-Q508 WeakPolarHBondContact O-CG 3.27Å; N504-Q508 PolarHBondContact O-N 3Å; K505-Q508 PolarHBondContact O-N 3.08Å; E506-Q508 VanDerWaalsContact C-N 3.31Å; E506-Q508 PolarHBondContact O-N 2.89Å; Q508-H512 WeakPolarHBondContact O-CB 3.28Å; Q508-H512 PolarHBondContact O-N 3.09Å; Q508-H512 VanDerWaalsContact O-N 3.08Å
509	S	48.7	Very low	47.6	Very low	60 Å²	60	103.6 Å²	103.6	42%	0.42	52%	0.521	S	S	.	.	H	α-helix	trans	-70.5	-45.5	175.6	77	0	0	0	0	111.4	K505 E506 C511 H512 D513	K505-S509 PolarHBondContact O-N 3.08Å; E506-S509 PolarHBondContact O-N 2.95Å; E506-S509 PolarHBondContact O-OG 2.84Å; S509-C511 VanDerWaalsContact C-N 3.32Å; S509-C511 PolarHBondContact O-N 3.48Å; S509-H512 WeakPolarHBondContact O-CA 3.49Å; S509-H512 WeakPolarHBondContact O-CB 3.44Å; S509-H512 PolarHBondContact O-N 3.39Å; S509-D513 PolarHBondContact O-N 3.07Å
510	I	51.5	Low	46.5	Very low	102 Å²	102	103.6 Å²	103.6	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-58.2	-44.6	177	-68	164.6	0	0	0	110.5	E506 H512 Y514	E506-I510 WeakPolarHBondContact O-CB 3.49Å; E506-I510 WeakPolarHBondContact O-CD1 3.48Å; E506-I510 WeakPolarHBondContact O-CG1 3.32Å; E506-I510 PolarHBondContact O-N 2.88Å; I510-H512 VanDerWaalsContact C-N 3.31Å; I510-H512 PolarHBondContact O-N 3.3Å; I510-Y514 WeakPolarHBondContact O-CB 3.33Å; I510-Y514 PolarHBondContact O-N 2.91Å
511	C	43.5	Very low	45.3	Very low	77 Å²	77	106.8 Å²	106.8	52%	0.52	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-31.4	174.9	-75.4	0	0	0	0	113.2	I507 S509 F515	I507-C511 VanDerWaalsContact O-CB 3.29Å; I507-C511 WeakPolarHBondContact O-CB 3.47Å; I507-C511 PolarHBondContact O-N 2.86Å; I507-C511 PolarHBondContact O-SG 3.16Å; I507-C511 VanDerWaalsContact O-SG 3.34Å; S509-C511 VanDerWaalsContact C-N 3.32Å; S509-C511 PolarHBondContact O-N 3.48Å; C511-F515 WeakPolarHBondContact O-CB 3.37Å; C511-F515 PolarHBondContact O-N 2.64Å
512	H	47.6	Very low	44.4	Very low	111 Å²	111	109.3 Å²	109.3	51%	0.514	55%	0.548	S	S	.	.	H	α-helix	trans	-73.5	-44.6	176.7	-164.2	66.9	0	0	0	111.9	Q508 S509 I510 Y514 F515 Q516	Q508-H512 WeakPolarHBondContact O-CB 3.28Å; Q508-H512 PolarHBondContact O-N 3.09Å; Q508-H512 VanDerWaalsContact O-N 3.08Å; S509-H512 WeakPolarHBondContact O-CA 3.49Å; S509-H512 WeakPolarHBondContact O-CB 3.44Å; S509-H512 PolarHBondContact O-N 3.39Å; I510-H512 VanDerWaalsContact C-N 3.31Å; I510-H512 PolarHBondContact O-N 3.3Å; H512-Y514 PolarHBondContact O-N 2.95Å; H512-F515 PolarHBondContact O-N 2.78Å; H512-F515 VanDerWaalsContact O-N 3.16Å; H512-Q516 PolarHBondContact NE2-NE2 3.2Å; H512-Q516 PolarHBondContact O-N 2.82Å
513	D	48.6	Very low	43.1	Very low	87 Å²	87	116.1 Å²	116.1	47%	0.465	58%	0.578	S	S	.	*	H	α-helix	trans	-62.1	-42.8	176.9	-66.8	-29.6	0	0	0	111.2	S509 F515 Q516 Q517	S509-D513 PolarHBondContact O-N 3.07Å; D513-F515 VanDerWaalsContact C-N 3.32Å; D513-F515 PolarHBondContact O-N 3.09Å; D513-Q516 PolarHBondContact O-N 2.91Å; D513-Q517 WeakPolarHBondContact O-CG 3.49Å; D513-Q517 PolarHBondContact O-N 2.92Å
514	Y	39.9	Very low	42	Very low	151 Å²	151	116 Å²	116	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-62.9	-37.4	174.7	-131.7	-104.3	0	0	0	112	I510 H512 Q517 L518	I510-Y514 WeakPolarHBondContact O-CB 3.33Å; I510-Y514 PolarHBondContact O-N 2.91Å; H512-Y514 PolarHBondContact O-N 2.95Å; Y514-Q517 PolarHBondContact O-N 3.12Å; Y514-L518 HydrophobicContact CD1-CD1 3.71Å; Y514-L518 HydrophobicContact CE1-CD1 4.08Å; Y514-L518 WeakPolarHBondContact O-CB 3.48Å; Y514-L518 PolarHBondContact O-N 2.82Å
515	F	39.4	Very low	40.8	Very low	145 Å²	145	117.3 Å²	117.3	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-72.4	-27.6	176.9	-123.4	-89.6	0	0	0	113.4	C511 H512 D513 N519	C511-F515 WeakPolarHBondContact O-CB 3.37Å; C511-F515 PolarHBondContact O-N 2.64Å; H512-F515 PolarHBondContact O-N 2.78Å; H512-F515 VanDerWaalsContact O-N 3.16Å; D513-F515 VanDerWaalsContact C-N 3.32Å; D513-F515 PolarHBondContact O-N 3.09Å; F515-N519 PolarHBondContact O-N 2.66Å; F515-N519 PolarHBondContact O-ND2 3.22Å
516	Q	42.4	Very low	39.9	Very low	119 Å²	119	116.8 Å²	116.8	56%	0.556	62%	0.619	S	S	*	*	H	α-helix	trans	-73.4	-45.2	170.4	-67.5	-162.6	19.7	0	0	111	H512 D513 L518 N519 S520	H512-Q516 PolarHBondContact NE2-NE2 3.2Å; H512-Q516 PolarHBondContact O-N 2.82Å; D513-Q516 PolarHBondContact O-N 2.91Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 2.59Å; Q516-N519 PolarHBondContact O-N 3.33Å; Q516-N519 VanDerWaalsContact O-N 3.07Å; Q516-S520 PolarHBondContact O-N 2.61Å
517	Q	40.6	Very low	38.6	Very low	135 Å²	135	116.4 Å²	116.4	63%	0.631	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-29.7	178.4	-70.7	179.2	0.7	0	0	113.6	D513 Y514 S520	D513-Q517 WeakPolarHBondContact O-CG 3.49Å; D513-Q517 PolarHBondContact O-N 2.92Å; Y514-Q517 PolarHBondContact O-N 3.12Å; Q517-S520 PolarHBondContact O-OG 2.81Å; Q517-S520 VanDerWaalsContact O-OG 3.08Å
518	L	35.7	Very low	38	Very low	94 Å²	94	117 Å²	117	49%	0.492	64%	0.638	S	S	.	*	H	α-helix	trans	-79.8	-17.3	173.9	-91.6	151.4	0	0	0	114.5	Y514 Q516 F521	Y514-L518 HydrophobicContact CD1-CD1 3.71Å; Y514-L518 HydrophobicContact CE1-CD1 4.08Å; Y514-L518 WeakPolarHBondContact O-CB 3.48Å; Y514-L518 PolarHBondContact O-N 2.82Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 2.59Å; L518-F521 HydrophobicContact CD2-CE2 4.25Å
519	N	37.1	Very low	37.1	Very low	124 Å²	124	116.3 Å²	116.3	66%	0.663	64%	0.638	S	S	*	*	H	α-helix	trans	-92.2	-6.6	173.9	-78.7	-62.6	0	0	0	113.4	F515 Q516 F521	F515-N519 PolarHBondContact O-N 2.66Å; F515-N519 PolarHBondContact O-ND2 3.22Å; Q516-N519 PolarHBondContact O-N 3.33Å; Q516-N519 VanDerWaalsContact O-N 3.07Å; N519-F521 VanDerWaalsContact C-N 3.3Å; N519-F521 PolarHBondContact O-N 3.1Å
520	S	33.1	Very low	36.3	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	65%	0.653	S	S	*	*			trans	-93.1	36	169.8	62.4	0	0	0	0	113.3	Q516 Q517	Q516-S520 PolarHBondContact O-N 2.61Å; Q517-S520 PolarHBondContact O-OG 2.81Å; Q517-S520 VanDerWaalsContact O-OG 3.08Å
521	F	30.5	Very low	35.3	Very low	149 Å²	149	124.5 Å²	124.5	65%	0.654	66%	0.66	S	S	*	*			trans	-65.1	152	159.6	-104.4	-88.8	0	0	0	109.7	L518 N519	L518-F521 HydrophobicContact CD2-CE2 4.25Å; N519-F521 VanDerWaalsContact C-N 3.3Å; N519-F521 PolarHBondContact O-N 3.1Å
522	N	35.5	Very low	34.7	Very low	147 Å²	147	127.4 Å²	127.4	79%	0.786	67%	0.666	S	S	*	*			trans	74.5	51.8	162	-44.9	-39.5	0	0	0	119
523	E	26.9	Very low	34	Very low	200 Å²	200	128 Å²	128	94%	0.935	67%	0.673	S	S	*	*			trans	-143.4	156.1	142.5	-127.5	169	-141.4	0	0	112.2
524	A	28.6	Very low	33.4	Very low	88 Å²	88	130.2 Å²	130.2	73%	0.727	68%	0.683	S	S	*	*			trans	-103.8	133.2	-137.5	0	0	0	0	0	117.6
525	S	27.3	Very low	33.1	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	69%	0.689	S	S	*	*			trans	81.8	154.1	130.8	78.3	0	0	0	0	122.3
526	S	29.5	Very low	33	Very low	123 Å²	123	127.9 Å²	127.9	86%	0.86	69%	0.69	S	S	*	*			trans	79.7	138.2	163.6	74.7	0	0	0	0	119.4
527	S	28.2	Very low	32.7	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	70%	0.696	S	S	*	*			trans	-129.2	-163.9	178.7	61.1	0	0	0	0	106.6
528	P	36.9	Very low	32.5	Very low	96 Å²	96	130.4 Å²	130.4	62%	0.623	70%	0.703	S	S	*	*			cis	-142.1	-172.4	-2.1	33.6	-9.2	0	0	0	115.8
529	I	28.5	Very low	32.5	Very low	128 Å²	128	130.2 Å²	130.2	66%	0.656	71%	0.709	S	S	*	*			trans	92.1	123.7	130.8	-104.7	168.6	0	0	0	123.3
530	Y	31	Very low	32.4	Very low	190 Å²	190	129.5 Å²	129.5	75%	0.745	71%	0.714	S	S	*	*			trans	70.8	131.6	143.6	-67.1	-39.7	0	0	0	127.5
531	H	30.2	Very low	32.5	Very low	144 Å²	144	129.9 Å²	129.9	67%	0.667	72%	0.717	S	S	*	*				98.1	130.4	129.9	-99.8	-81	0	0	0	123.5
532	H	32.1	Very low	32.5	Very low	138 Å²	138	126.8 Å²	126.8	64%	0.639	71%	0.714	S	S	*	*			trans	81.5	103.3	141.2	-83.3	-26.6	0	0	0	124.6
533	N	32.9	Very low	32.4	Very low	123 Å²	123	129 Å²	129	66%	0.658	71%	0.713	S	S	*	*				78.9	143.2	105.7	-82.3	30.4	0	0	0	124.5
534	I	34.2	Very low	32.8	Very low	134 Å²	134	125.6 Å²	125.6	69%	0.687	70%	0.696	S	S	*	*				110.8	112.3	124.9	-93.3	166.3	0	0	0	121.5
535	I	34	Very low	33	Very low	141 Å²	141	128.7 Å²	128.7	72%	0.723	70%	0.696	S	S	*	*			trans	69.6	152.4	138.9	-71	174.9	0	0	0	120.8
536	V	37.6	Very low	33.2	Very low	107 Å²	107	132 Å²	132	65%	0.648	70%	0.699	S	S	*	*			cis	161.3	138	-37.6	141.2	0	0	0	0	109.3
537	N	36.5	Very low	33.5	Very low	127 Å²	127	131.2 Å²	131.2	68%	0.679	69%	0.692	S	S	*	*			trans	170	124.3	144.7	-91	-39	0	0	0	109.2
538	K	36.3	Very low	33.7	Very low	179 Å²	179	131 Å²	131	78%	0.778	69%	0.69	S	S	*	*				97.5	142.9	65.7	-86.1	-166.5	-168.9	172.9	0	112.2
539	S	36.4	Very low	33.4	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	69%	0.694	S	S	*	*			cis	-171.7	153.9	-5.9	44	0	0	0	0	114.1
540	S	33.8	Very low	33.7	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	70%	0.7	S	S	*	*			trans	57.7	144.8	145.4	55.6	0	0	0	0	121.2
541	S	35.6	Very low	33.7	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	70%	0.7	S	S	*	*			cis	-167	-150.2	-11.6	51.5	0	0	0	0	106.3
542	S	31.5	Very low	34	Very low	83 Å²	83	127 Å²	127	58%	0.58	70%	0.701	S	S	*	*			cis	178.5	163.1	-9	30.3	0	0	0	0	105.1
543	Y	31.9	Very low	33.9	Very low	195 Å²	195	126.3 Å²	126.3	77%	0.765	71%	0.707	S	S	*	*			cis	-178.2	163.7	-15.4	-83.3	-27.3	0	0	0	105.5
544	H	35.7	Very low	33.7	Very low	128 Å²	128	128 Å²	128	59%	0.593	72%	0.715	S	S	*	*			cis	-165.5	152.4	-10	-109.3	-45.6	0	0	0	108.9
545	Q	32.7	Very low	33.6	Very low	153 Å²	153	127.4 Å²	127.4	72%	0.715	72%	0.723	S	S	*	*			trans	64.7	167.1	145.4	-70.8	164.2	-32.2	0	0	120.9
546	Q	30.9	Very low	33.2	Very low	172 Å²	172	129.1 Å²	129.1	80%	0.804	73%	0.728	S	S	*	*				-160.4	-173.9	-50.9	-113.3	-172.6	-79.6	0	0	109.3
547	P	36.3	Very low	32.9	Very low	107 Å²	107	131.1 Å²	131.1	70%	0.695	74%	0.74	S	S	*	*			trans	-121.6	-155	-147.6	47.4	-34.8	0	0	0	116.6
548	S	32.9	Very low	32.5	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	75%	0.747	S	S	*	*			trans	89.7	144.5	170.1	85.4	0	0	0	0	117.6
549	T	30.3	Very low	32.1	Very low	114 Å²	114	131.5 Å²	131.5	70%	0.699	75%	0.748	S	S	*	*			cis	-162.5	-179.4	-10.9	19.1	0	0	0	0	111
550	D	34.5	Very low	31.7	Very low	148 Å²	148	133 Å²	133	79%	0.791	76%	0.758	S	S	*	*			trans	90.1	166.8	154.6	-55	-52.1	0	0	0	120.9
551	S	30.9	Very low	31.3	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	76%	0.759	S	S	*	*			trans	-161	-168.3	-148.4	70.7	0	0	0	0	111.5
552	P	37.7	Very low	30.9	Very low	104 Å²	104	134.9 Å²	134.9	68%	0.675	77%	0.766	S	S	*	*			cis	-135.7	-156.2	-14.7	31.6	-7	0	0	0	113.7
553	T	30.4	Very low	30.6	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	78%	0.778	S	S	*	*			trans	86.7	101.4	155.1	51.5	0	0	0	0	123.9
554	L	27.4	Very low	30.5	Very low	160 Å²	160	137.3 Å²	137.3	84%	0.838	78%	0.778	S	S	*	*				62.1	114.6	114	-159	78.1	0	0	0	122.4
555	S	31.9	Very low	30	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	79%	0.788	S	S	*	*			trans	-165.9	157.8	130.5	20.6	0	0	0	0	111.4
556	E	27	Very low	29.6	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	80%	0.797	S	S	*	*			trans	-94.3	163.1	-175.7	-59	176	93.1	0	0	113.4
557	V	30.9	Very low	29.4	Very low	148 Å²	148	142 Å²	142	90%	0.897	80%	0.802	S	S	*	*				-171.8	157.8	124.7	141.8	0	0	0	0	110.7
558	K	27	Very low	28.9	Very low	190 Å²	190	141.5 Å²	141.5	83%	0.826	80%	0.801	S	S	*	*			trans	-94.2	166.4	-169.4	-94.7	173.9	-178.9	166.1	0	114.6
559	P	28.6	Very low	28.7	Very low	124 Å²	124	143.1 Å²	143.1	81%	0.805	80%	0.801	S	S	*	*			trans	-92.1	169.6	-161	37.2	-38.6	0	0	0	115.6
560	S	27.5	Very low	28.5	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	80%	0.8	S	S	*	*			trans	-135.5	168.9	165.4	62.2	0	0	0	0	111.5
561	S	25.1	Very low	28.2	Very low	112 Å²	112	145 Å²	145	78%	0.783	81%	0.805	S	S	*	*			trans	-109.5	144.1	-162.3	50.5	0	0	0	0	115
562	T	28	Very low	27.9	Very low	138 Å²	138	148.5 Å²	148.5	85%	0.847	81%	0.807	S	S	*	*			trans	-142.9	135.3	169.8	-44.5	0	0	0	0	111.5
563	Y	25.4	Very low	27.4	Very low	215 Å²	215	150.9 Å²	150.9	84%	0.843	82%	0.82	S	S	*	*			trans	-84.5	148.7	172.6	-65.8	-99.3	0	0	0	112
564	P	29.3	Very low	27.1	Very low	115 Å²	115	153.5 Å²	153.5	75%	0.747	82%	0.82	S	S	*	*			trans	-120.2	130.2	139.3	2.9	18.6	0	0	0	110.1
565	I	26.7	Very low	27.2	Very low	158 Å²	158	153.4 Å²	153.4	81%	0.81	82%	0.816	S	S	*	*				69.2	114.3	66.1	-61.8	169.4	0	0	0	112.2
566	M	23.4	Very low	26.9	Very low	183 Å²	183	152.1 Å²	152.1	90%	0.901	81%	0.806	S	S	*	*			trans	-70.2	145.4	173.7	-59.5	168.5	90.5	0	0	111.5
567	K	26.6	Very low	26.9	Very low	210 Å²	210	150.6 Å²	150.6	91%	0.913	80%	0.802	S	S	*	*			trans	-144.9	151.9	148.5	-111.7	178.9	-177.6	-178.6	0	110.7
568	S	25.5	Very low	26.7	Very low	96 Å²	96	151.9 Å²	151.9	67%	0.671	80%	0.798	S	S	*	*			trans	-93.4	152.9	-175.9	53.6	0	0	0	0	112.4
569	D	29.9	Very low	26.5	Very low	140 Å²	140	152.1 Å²	152.1	75%	0.749	80%	0.799	S	S	*	*				-165.1	120.4	125.9	-94.2	-32.4	0	0	0	109
570	N	25.4	Very low	26.2	Very low	126 Å²	126	154.5 Å²	154.5	67%	0.674	80%	0.804	S	S	*	*				69.8	108.6	86.8	-87.5	-54.6	0	0	0	114.8
571	I	27.7	Very low	26	Very low	176 Å²	176	153.1 Å²	153.1	90%	0.903	79%	0.794	S	S	*	*				-169.4	155	118.2	-96.6	156.3	0	0	0	110.7
572	K	24.1	Very low	25.9	Very low	181 Å²	181	155.1 Å²	155.1	79%	0.787	80%	0.796	S	S	*	*			trans	-99.2	155.1	-163.6	-54.4	144.6	179.6	165.8	0	112.9
573	T	28.2	Very low	25.6	Very low	153 Å²	153	153.8 Å²	153.8	94%	0.939	79%	0.792	S	S	*	*			trans	-150.9	160.9	131.4	10.7	0	0	0	0	111.6
574	K	24.3	Very low	25.6	Very low	179 Å²	179	149 Å²	149	78%	0.778	79%	0.785	S	S	*	*			trans	-99	153.1	-169.5	-65.4	171.7	175.8	174.9	0	112.6
575	H	29.3	Very low	25.3	Very low	159 Å²	159	153.2 Å²	153.2	74%	0.736	79%	0.792	S	S	*	*				169.1	114.1	108.7	-96.1	-78.1	0	0	0	109.5
576	S	26.3	Very low	25.1	Very low	93 Å²	93	151.5 Å²	151.5	65%	0.65	78%	0.78	S	S	*	*				59.8	133.6	97.8	74.7	0	0	0	0	114.6
577	I	25.4	Very low	25.3	Very low	145 Å²	145	150.7 Å²	150.7	74%	0.744	78%	0.78	S	S	*	*			cis	-163.1	164.8	25.6	-142.3	166.6	0	0	0	113.9
578	H	26.9	Very low	25.3	Very low	176 Å²	176	149.5 Å²	149.5	82%	0.815	77%	0.771	S	S	*	*			trans	59.1	132.4	165.6	-81.2	-75.6	0	0	0	124.1
579	K	22.3	Very low	25.5	Very low	194 Å²	194	150.6 Å²	150.6	84%	0.843	77%	0.768	S	S	*	*			trans	-78.6	149	166	-54.1	164	174.9	174.7	0	111.6
580	I	24.2	Very low	25.8	Very low	175 Å²	175	146.5 Å²	146.5	90%	0.897	75%	0.75	S	S	*	*			trans	-132.3	159.4	134.8	-71.2	-168.5	0	0	0	107.9
581	S	23.3	Very low	26.1	Very low	91 Å²	91	147.9 Å²	147.9	64%	0.636	76%	0.756	S	S	*	*			trans	-107.6	157.6	-158	55.9	0	0	0	0	116.3
582	N	21	Very low	26.5	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	74%	0.737	S	S	*	*			trans	59	103.3	147.7	-60.5	-4.8	0	0	0	119.5
583	S	23.1	Very low	27.2	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	72%	0.718	S	S	*	*				-161.4	152.5	124.2	42.6	0	0	0	0	112.5
584	T	24.3	Very low	27.6	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	71%	0.705	S	S	*	*			trans	18.5	123.5	158.8	45.8	0	0	0	0	120.8	Q586	T584-Q586 PolarHBondContact O-N 3.45Å
585	K	22.8	Very low	28	Very low	205 Å²	205	134.3 Å²	134.3	89%	0.891	70%	0.697	S	S	*	*			trans	-55.2	131.4	158.4	-68.1	178.1	175.5	-179.3	0	110.8
586	Q	24.1	Very low	28.4	Very low	121 Å²	121	132.5 Å²	132.5	57%	0.565	69%	0.692	S	S	*	*			trans	-154.9	104.7	166.2	-111.8	164.6	-19.4	0	0	108.8	T584 Y588	T584-Q586 PolarHBondContact O-N 3.45Å; Q586-Y588 HydrophobicContact CB-CD2 3.81Å; Q586-Y588 HydrophobicContact CB-CE2 3.64Å; Q586-Y588 VanDerWaalsContact CD-CE2 3.44Å; Q586-Y588 HydrophobicContact CG-CD2 4.2Å; Q586-Y588 HydrophobicContact CG-CE2 3.52Å; Q586-Y588 PolarHBondContact NE2-OH 3.2Å; Q586-Y588 VanDerWaalsContact NE2-OH 3.09Å; Q586-Y588 PolarHBondContact O-N 2.96Å
587	D	26	Very low	28.8	Very low	167 Å²	167	133.5 Å²	133.5	89%	0.893	69%	0.69	S	S	*	*			trans	-78.5	81.3	-179	-66	-48.3	0	0	0	110.1
588	Y	27.7	Very low	29.3	Very low	184 Å²	184	133.3 Å²	133.3	72%	0.722	69%	0.69	S	S	*	*			trans	-99.9	105.1	177.7	-72.4	-54.7	0	0	0	112.4	Q586	Q586-Y588 HydrophobicContact CB-CD2 3.81Å; Q586-Y588 HydrophobicContact CB-CE2 3.64Å; Q586-Y588 VanDerWaalsContact CD-CE2 3.44Å; Q586-Y588 HydrophobicContact CG-CD2 4.2Å; Q586-Y588 HydrophobicContact CG-CE2 3.52Å; Q586-Y588 PolarHBondContact NE2-OH 3.2Å; Q586-Y588 VanDerWaalsContact NE2-OH 3.09Å; Q586-Y588 PolarHBondContact O-N 2.96Å
589	L	29.5	Very low	29.7	Very low	119 Å²	119	132.6 Å²	132.6	62%	0.623	69%	0.687	S	S	*	*			trans	-149.1	84	171.9	-172.1	77.8	0	0	0	109.5	I593	L589-I593 HydrophobicContact CD1-CD1 4.44Å; L589-I593 HydrophobicContact CG-CD1 4.18Å
590	P	35.4	Very low	30.1	Very low	55 Å²	55	131.1 Å²	131.1	36%	0.357	68%	0.681	S	S	.	*	S	Bend		-150.6	96.5	99.5	36.6	-17.9	0	0	0	114.8	E458 I593	E458-P590 WeakPolarHBondContact OE2-CG 3.28Å; P590-I593 HydrophobicContact CB-CD1 4.36Å
591	L	32.9	Very low	30.3	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	68%	0.68	S	S	*	*	S	Bend	trans	-131.5	-35	159.1	-111.1	99.1	0	0	0	112.7	I593 L594	L591-I593 PolarHBondContact O-N 3.08Å; L591-L594 PolarHBondContact O-N 3.31Å
592	S	35.1	Very low	30.6	Very low	71 Å²	71	134 Å²	134	50%	0.497	69%	0.69	S	S	.	*	H	α-helix	trans	-60	-27.9	173.2	50	0	0	0	0	113.8
593	I	39	Very low	31.1	Very low	75 Å²	75	132.8 Å²	132.8	39%	0.385	69%	0.689	S	S	.	*	H	α-helix	trans	-70.2	-38.9	-177.8	-61.8	172.2	0	0	0	111.3	L589 P590 L591	L589-I593 HydrophobicContact CD1-CD1 4.44Å; L589-I593 HydrophobicContact CG-CD1 4.18Å; P590-I593 HydrophobicContact CB-CD1 4.36Å; L591-I593 PolarHBondContact O-N 3.08Å
594	L	37.2	Very low	31.4	Very low	127 Å²	127	133.4 Å²	133.4	67%	0.665	69%	0.688	S	S	*	*	H	α-helix	trans	-70.9	-37.2	-176.4	-148.9	79.6	0	0	0	112.1	L591 N596 L597	L591-L594 PolarHBondContact O-N 3.31Å; L594-N596 VanDerWaalsContact C-N 3.3Å; L594-N596 PolarHBondContact O-N 2.87Å; L594-L597 PolarHBondContact O-N 3.12Å
595	H	33.4	Very low	31.6	Very low	131 Å²	131	139.4 Å²	139.4	61%	0.606	70%	0.7	S	S	*	*	H	α-helix	trans	-65.7	-30.5	-177.3	-165.1	-68.3	0	0	0	113.1	L597	H595-L597 VanDerWaalsContact C-N 3.31Å; H595-L597 PolarHBondContact O-N 2.74Å
596	N	35.9	Very low	32	Very low	121 Å²	121	135.3 Å²	135.3	65%	0.647	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-13.2	-177.6	-73.6	-17.9	0	0	0	114.2	L594	L594-N596 VanDerWaalsContact C-N 3.3Å; L594-N596 PolarHBondContact O-N 2.87Å
597	L	35.1	Very low	32.8	Very low	113 Å²	113	135.2 Å²	135.2	59%	0.592	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-23	-179	-67.4	170.7	0	0	0	113.4	L594 H595	L594-L597 PolarHBondContact O-N 3.12Å; H595-L597 VanDerWaalsContact C-N 3.31Å; H595-L597 PolarHBondContact O-N 2.74Å
598	N	36.9	Very low	33.2	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	7.8	-170.5	-76.4	-8.2	0	0	0	115.6
599	Q	34.2	Very low	33.6	Very low	161 Å²	161	127.1 Å²	127.1	75%	0.752	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	8.6	-177.6	-78.2	-160.3	-19.2	0	0	115.9	N601	Q599-N601 PolarHBondContact O-N 3.33Å; Q599-N601 VanDerWaalsContact O-N 3.16Å
600	F	31.4	Very low	33.9	Very low	162 Å²	162	124.6 Å²	124.6	71%	0.711	66%	0.66	S	S	*	*			trans	-82.3	92.7	177.7	-82.1	-88.6	0	0	0	112.7
601	N	29	Very low	33.9	Very low	163 Å²	163	127.4 Å²	127.4	87%	0.872	67%	0.671	S	S	*	*			trans	-122.4	143.5	168.2	-118.4	-19	0	0	0	110.3	Q599	Q599-N601 PolarHBondContact O-N 3.33Å; Q599-N601 VanDerWaalsContact O-N 3.16Å
602	L	29	Very low	34	Very low	163 Å²	163	125.5 Å²	125.5	85%	0.853	66%	0.662	S	S	*	*			trans	-99.3	136.6	-171.1	-67.3	92.4	0	0	0	113.5
603	T	30.8	Very low	34.2	Very low	129 Å²	129	126 Å²	126	79%	0.791	66%	0.658	S	S	*	*			trans	-143.7	120.9	160	52.6	0	0	0	0	113
604	T	30.6	Very low	34.1	Very low	125 Å²	125	125.5 Å²	125.5	77%	0.767	66%	0.661	S	S	*	*			trans	53.3	99.1	146.3	56.9	0	0	0	0	121.3
605	Y	26.8	Very low	34.2	Very low	239 Å²	239	124.1 Å²	124.1	94%	0.937	66%	0.655	S	S	*	*			trans	25.4	116.8	132.9	-77.9	-93.7	0	0	0	121
606	N	33	Very low	34.6	Very low	119 Å²	119	124.3 Å²	124.3	64%	0.636	65%	0.654	S	S	*	*			trans	-154.1	143.8	136.8	-162.3	-24.5	0	0	0	109.4	N608 S609	N606-N608 PolarHBondContact O-N 3.36Å; N606-S609 VanDerWaalsContact O-CB 3.26Å; N606-S609 WeakPolarHBondContact O-CB 3.38Å; N606-S609 PolarHBondContact O-N 2.81Å; N606-S609 PolarHBondContact O-OG 2.63Å
607	V	39.1	Very low	34.9	Very low	119 Å²	119	122.5 Å²	122.5	72%	0.721	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-38.8	-168.7	178.5	0	0	0	0	112.7	S609 S610	V607-S609 PolarHBondContact O-N 2.82Å; V607-S609 VanDerWaalsContact O-N 3.14Å; V607-S610 WeakPolarHBondContact O-CB 3.42Å; V607-S610 PolarHBondContact O-N 3.29Å; V607-S610 PolarHBondContact O-OG 2.81Å
608	N	34.4	Very low	35.5	Very low	133 Å²	133	122.7 Å²	122.7	71%	0.711	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-12.2	175.6	-77.2	-7	0	0	0	114.1	N606 S610	N606-N608 PolarHBondContact O-N 3.36Å; N608-S610 VanDerWaalsContact C-N 3.28Å
609	S	37.5	Very low	36.2	Very low	48 Å²	48	118.4 Å²	118.4	34%	0.336	62%	0.623	S	S	.	*	H	α-helix	trans	-70.7	-24.1	171.2	73.7	0	0	0	0	112.5	N606 V607 I611 N612 I613	N606-S609 VanDerWaalsContact O-CB 3.26Å; N606-S609 WeakPolarHBondContact O-CB 3.38Å; N606-S609 PolarHBondContact O-N 2.81Å; N606-S609 PolarHBondContact O-OG 2.63Å; V607-S609 PolarHBondContact O-N 2.82Å; V607-S609 VanDerWaalsContact O-N 3.14Å; S609-I611 PolarHBondContact O-N 2.78Å; S609-N612 CarbonylContact O-C 3.57Å; S609-N612 PolarHBondContact O-N 2.81Å; S609-N612 VanDerWaalsContact O-N 3.16Å; S609-I613 WeakPolarHBondContact O-CB 3.35Å; S609-I613 VanDerWaalsContact O-CG1 3.24Å; S609-I613 WeakPolarHBondContact O-CG1 3.31Å; S609-I613 PolarHBondContact O-N 3.2Å
610	S	34.5	Very low	37.2	Very low	66 Å²	66	113.4 Å²	113.4	46%	0.462	60%	0.601	S	S	.	*	H	α-helix	trans	-57.4	-44.1	-175.7	59.3	0	0	0	0	113.6	V607 N608 I613 S614	V607-S610 WeakPolarHBondContact O-CB 3.42Å; V607-S610 PolarHBondContact O-N 3.29Å; V607-S610 PolarHBondContact O-OG 2.81Å; N608-S610 VanDerWaalsContact C-N 3.28Å; S610-I613 PolarHBondContact O-N 3.24Å; S610-S614 WeakPolarHBondContact O-CB 3.46Å; S610-S614 PolarHBondContact O-N 2.88Å
611	I	36.9	Very low	38.5	Very low	114 Å²	114	109 Å²	109	59%	0.585	59%	0.585	S	S	*	*	H	α-helix	trans	-68.7	-41	178.5	-59.9	174.6	0	0	0	110.7	S609 S614 N615	S609-I611 PolarHBondContact O-N 2.78Å; I611-S614 WeakPolarHBondContact O-CB 3.38Å; I611-S614 PolarHBondContact O-N 3.25Å; I611-N615 PolarHBondContact O-N 3.24Å; I611-N615 PolarHBondContact O-ND2 3.06Å
612	N	34.8	Very low	40.1	Very low	114 Å²	114	105.3 Å²	105.3	61%	0.61	57%	0.565	S	S	*	*	H	α-helix	trans	-69.7	-32.6	176.1	-79.5	-21.8	0	0	0	112.6	S609 K616	S609-N612 CarbonylContact O-C 3.57Å; S609-N612 PolarHBondContact O-N 2.81Å; S609-N612 VanDerWaalsContact O-N 3.16Å; N612-K616 WeakPolarHBondContact O-CB 3.21Å; N612-K616 PolarHBondContact O-N 3.3Å
613	I	39.1	Very low	42	Very low	82 Å²	82	101.9 Å²	101.9	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-68.1	-42.1	171.6	-71.1	164.4	0	0	0	109.9	S609 S610 K616 N617	S609-I613 WeakPolarHBondContact O-CB 3.35Å; S609-I613 VanDerWaalsContact O-CG1 3.24Å; S609-I613 WeakPolarHBondContact O-CG1 3.31Å; S609-I613 PolarHBondContact O-N 3.2Å; S610-I613 PolarHBondContact O-N 3.24Å; I613-K616 PolarHBondContact O-N 2.8Å; I613-N617 VanDerWaalsContact O-CB 3.25Å; I613-N617 WeakPolarHBondContact O-CB 3.11Å; I613-N617 PolarHBondContact O-N 3.26Å; I613-N617 PolarHBondContact O-OD1 2.63Å
614	S	36.3	Very low	43.7	Very low	64 Å²	64	97.9 Å²	97.9	45%	0.448	52%	0.52	S	S	.	.	H	α-helix	trans	-57.1	-53.1	173.3	-172.6	0	0	0	0	111.3	S610 I611 K616 N617 Q618	S610-S614 WeakPolarHBondContact O-CB 3.46Å; S610-S614 PolarHBondContact O-N 2.88Å; I611-S614 WeakPolarHBondContact O-CB 3.38Å; I611-S614 PolarHBondContact O-N 3.25Å; S614-K616 VanDerWaalsContact C-N 3.33Å; S614-K616 PolarHBondContact O-N 3.24Å; S614-N617 PolarHBondContact O-N 3.08Å; S614-Q618 WeakPolarHBondContact O-CB 3.48Å; S614-Q618 PolarHBondContact O-N 2.79Å
615	N	40.3	Very low	45.7	Very low	99 Å²	99	95.7 Å²	95.7	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-37.9	177.5	-71.2	-25.5	0	0	0	113.1	I611 S619	I611-N615 PolarHBondContact O-N 3.24Å; I611-N615 PolarHBondContact O-ND2 3.06Å; N615-S619 PolarHBondContact O-N 3.44Å; N615-S619 PolarHBondContact O-OG 2.87Å
616	K	40.8	Very low	48	Very low	135 Å²	135	88.7 Å²	88.7	59%	0.587	48%	0.482	S	S	*	.	H	α-helix	trans	-72.5	-34.7	177.3	-167.7	172.9	-175.9	180	0	112.3	N612 I613 S614 S619 N620	N612-K616 WeakPolarHBondContact O-CB 3.21Å; N612-K616 PolarHBondContact O-N 3.3Å; I613-K616 PolarHBondContact O-N 2.8Å; S614-K616 VanDerWaalsContact C-N 3.33Å; S614-K616 PolarHBondContact O-N 3.24Å; K616-S619 PolarHBondContact O-N 3.34Å; K616-S619 PolarHBondContact O-OG 3.15Å; K616-N620 VanDerWaalsContact O-CB 3.31Å; K616-N620 WeakPolarHBondContact O-CB 3.48Å; K616-N620 PolarHBondContact O-N 2.82Å; K616-N620 PolarHBondContact O-ND2 3.12Å; K616-N620 PolarHBondContact O-OD1 3.09Å
617	N	42.2	Very low	49.9	Very low	82 Å²	82	87.3 Å²	87.3	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-69.5	-40.7	172.7	-71.6	-2.4	0	0	0	110.7	I613 S614 S619 N620 L621	I613-N617 VanDerWaalsContact O-CB 3.25Å; I613-N617 WeakPolarHBondContact O-CB 3.11Å; I613-N617 PolarHBondContact O-N 3.26Å; I613-N617 PolarHBondContact O-OD1 2.63Å; S614-N617 PolarHBondContact O-N 3.08Å; N617-S619 PolarHBondContact O-N 2.71Å; N617-N620 PolarHBondContact O-N 2.83Å; N617-L621 WeakPolarHBondContact O-CB 3.14Å; N617-L621 WeakPolarHBondContact O-CG 3.15Å; N617-L621 PolarHBondContact O-N 3.24Å
618	Q	48.2	Very low	51.6	Low	117 Å²	117	83 Å²	83	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-44.2	173.3	-157.6	90.2	11.9	0	0	111.3	S614 N622	S614-Q618 WeakPolarHBondContact O-CB 3.48Å; S614-Q618 PolarHBondContact O-N 2.79Å; Q618-N622 WeakPolarHBondContact O-CB 3.43Å; Q618-N622 PolarHBondContact O-N 3.1Å; Q618-N622 PolarHBondContact O-ND2 3.36Å
619	S	51	Low	53.7	Low	52 Å²	52	78.7 Å²	78.7	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-71.1	-36.4	177.1	68	0	0	0	0	112.8	N615 K616 N617 N622 N623	N615-S619 PolarHBondContact O-N 3.44Å; N615-S619 PolarHBondContact O-OG 2.87Å; K616-S619 PolarHBondContact O-N 3.34Å; K616-S619 PolarHBondContact O-OG 3.15Å; N617-S619 PolarHBondContact O-N 2.71Å; S619-N622 PolarHBondContact O-N 2.79Å; S619-N623 WeakPolarHBondContact O-CB 3.38Å; S619-N623 VanDerWaalsContact O-CG 3.23Å; S619-N623 PolarHBondContact O-N 2.96Å; S619-N623 PolarHBondContact O-ND2 2.82Å
620	N	55.9	Low	55.5	Low	57 Å²	57	81.6 Å²	81.6	31%	0.305	43%	0.433	S	S	.	.	H	α-helix	trans	-63.6	-44.2	172.5	-71.8	-17.7	0	0	0	111.9	K616 N617 N623 Q624	K616-N620 VanDerWaalsContact O-CB 3.31Å; K616-N620 WeakPolarHBondContact O-CB 3.48Å; K616-N620 PolarHBondContact O-N 2.82Å; K616-N620 PolarHBondContact O-ND2 3.12Å; K616-N620 PolarHBondContact O-OD1 3.09Å; N617-N620 PolarHBondContact O-N 2.83Å; N620-N623 PolarHBondContact O-N 3.36Å; N620-Q624 VanDerWaalsContact O-CB 3.3Å; N620-Q624 WeakPolarHBondContact O-CB 3.33Å; N620-Q624 PolarHBondContact O-N 3.04Å
621	L	58.8	Low	57.5	Low	70 Å²	70	80 Å²	80	37%	0.366	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-44.4	174.2	-82	162.1	0	0	0	111.5	N617 N623 Q624 N625	N617-L621 WeakPolarHBondContact O-CB 3.14Å; N617-L621 WeakPolarHBondContact O-CG 3.15Å; N617-L621 PolarHBondContact O-N 3.24Å; L621-N623 PolarHBondContact O-N 3.4Å; L621-Q624 PolarHBondContact O-N 3.48Å; L621-N625 VanDerWaalsContact O-CB 3.32Å; L621-N625 WeakPolarHBondContact O-CB 3.45Å; L621-N625 PolarHBondContact O-N 2.85Å; L621-N625 PolarHBondContact O-ND2 2.84Å
622	N	62.5	Low	59.4	Low	85 Å²	85	75.3 Å²	75.3	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-41.5	175.4	-72.6	-15.8	0	0	0	111.9	Q618 S619 N625 N626	Q618-N622 WeakPolarHBondContact O-CB 3.43Å; Q618-N622 PolarHBondContact O-N 3.1Å; Q618-N622 PolarHBondContact O-ND2 3.36Å; S619-N622 PolarHBondContact O-N 2.79Å; N622-N625 PolarHBondContact O-N 3.32Å; N622-N626 WeakPolarHBondContact O-CB 3.34Å; N622-N626 PolarHBondContact O-N 3.29Å; N622-N626 PolarHBondContact O-ND2 3.1Å
623	N	68.7	Low	61.6	Low	91 Å²	91	73.7 Å²	73.7	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-65.7	-43.1	175	-72.5	-22.5	0	0	0	112.1	S619 N620 L621 N626 I627	S619-N623 WeakPolarHBondContact O-CB 3.38Å; S619-N623 VanDerWaalsContact O-CG 3.23Å; S619-N623 PolarHBondContact O-N 2.96Å; S619-N623 PolarHBondContact O-ND2 2.82Å; N620-N623 PolarHBondContact O-N 3.36Å; L621-N623 PolarHBondContact O-N 3.4Å; N623-N626 PolarHBondContact O-N 3.16Å; N623-I627 WeakPolarHBondContact O-CD1 3.33Å; N623-I627 VanDerWaalsContact O-CG1 3.27Å; N623-I627 WeakPolarHBondContact O-CG1 3.17Å; N623-I627 PolarHBondContact O-N 2.91Å
624	Q	67.3	Low	63.5	Low	44 Å²	44	73.5 Å²	73.5	21%	0.206	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-43.9	176.2	-178.2	173.2	-18.1	0	0	111.5	I466 N620 L621 I627 T628	I466-Q624 HydrophobicContact CG2-CG 4.02Å; N620-Q624 VanDerWaalsContact O-CB 3.3Å; N620-Q624 WeakPolarHBondContact O-CB 3.33Å; N620-Q624 PolarHBondContact O-N 3.04Å; L621-Q624 PolarHBondContact O-N 3.48Å; Q624-I627 PolarHBondContact O-N 2.93Å; Q624-T628 PolarHBondContact O-N 3.42Å; Q624-T628 PolarHBondContact O-OG1 2.71Å
625	N	71.4	Confident	65.6	Low	79 Å²	79	71.1 Å²	71.1	42%	0.422	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-46	174.7	-71.2	-22.9	0	0	0	111.5	L621 N622 I627 T628 N629	L621-N625 VanDerWaalsContact O-CB 3.32Å; L621-N625 WeakPolarHBondContact O-CB 3.45Å; L621-N625 PolarHBondContact O-N 2.85Å; L621-N625 PolarHBondContact O-ND2 2.84Å; N622-N625 PolarHBondContact O-N 3.32Å; N625-I627 PolarHBondContact O-N 3.03Å; N625-T628 WeakPolarHBondContact CA-OG1 3.44Å; N625-T628 PolarHBondContact O-N 3.19Å; N625-T628 PolarHBondContact O-OG1 2.72Å; N625-N629 WeakPolarHBondContact O-CB 3.31Å; N625-N629 PolarHBondContact O-N 3.05Å; N625-N629 PolarHBondContact O-ND2 2.82Å; N625-N629 PolarHBondContact O-OD1 2.81Å
626	N	74.8	Confident	67.7	Low	92 Å²	92	67.1 Å²	67.1	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-43.5	175.9	-73.6	-20	0	0	0	111.9	N622 N623 N629 E630	N622-N626 WeakPolarHBondContact O-CB 3.34Å; N622-N626 PolarHBondContact O-N 3.29Å; N622-N626 PolarHBondContact O-ND2 3.1Å; N623-N626 PolarHBondContact O-N 3.16Å; N626-N629 PolarHBondContact O-N 2.92Å; N626-E630 PolarHBondContact O-N 2.84Å
627	I	74.2	Confident	69.6	Low	91 Å²	91	64.2 Å²	64.2	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-47.5	174.3	-69.9	162.7	0	0	0	110.5	I466 N623 Q624 N625 N629 E630 L631	I466-I627 HydrophobicContact CD1-CG2 4.22Å; N623-I627 WeakPolarHBondContact O-CD1 3.33Å; N623-I627 VanDerWaalsContact O-CG1 3.27Å; N623-I627 WeakPolarHBondContact O-CG1 3.17Å; N623-I627 PolarHBondContact O-N 2.91Å; Q624-I627 PolarHBondContact O-N 2.93Å; N625-I627 PolarHBondContact O-N 3.03Å; I627-N629 VanDerWaalsContact C-N 3.27Å; I627-N629 PolarHBondContact O-N 3.38Å; I627-E630 PolarHBondContact O-N 2.82Å; I627-L631 HydrophobicContact CG2-CD1 4.14Å; I627-L631 HydrophobicContact CG2-CG 4.44Å; I627-L631 VanDerWaalsContact O-CG 3.3Å; I627-L631 WeakPolarHBondContact O-CG 3.41Å; I627-L631 PolarHBondContact O-N 2.64Å
628	T	74	Confident	71.5	Confident	28 Å²	28	61.1 Å²	61.1	17%	0.172	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-32.6	176.8	50.3	0	0	0	0	113.4	I466 Q624 N625 I632	I466-T628 HydrophobicContact CD1-CG2 4.14Å; I466-T628 HydrophobicContact CG2-CG2 3.71Å; Q624-T628 PolarHBondContact O-N 3.42Å; Q624-T628 PolarHBondContact O-OG1 2.71Å; N625-T628 WeakPolarHBondContact CA-OG1 3.44Å; N625-T628 PolarHBondContact O-N 3.19Å; N625-T628 PolarHBondContact O-OG1 2.72Å; T628-I632 WeakPolarHBondContact O-CD1 3.5Å; T628-I632 VanDerWaalsContact O-CG1 3.25Å; T628-I632 WeakPolarHBondContact O-CG1 3.46Å; T628-I632 PolarHBondContact O-N 2.87Å
629	N	78.2	Confident	73.1	Confident	42 Å²	42	55.7 Å²	55.7	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-44.4	178.7	-69.5	-18	0	0	0	111.7	L429 N625 N626 I627 I632 K633	L429-N629 HydrophobicContact CD1-CB 4.47Å; L429-N629 HydrophobicContact CD2-CB 3.67Å; N625-N629 WeakPolarHBondContact O-CB 3.31Å; N625-N629 PolarHBondContact O-N 3.05Å; N625-N629 PolarHBondContact O-ND2 2.82Å; N625-N629 PolarHBondContact O-OD1 2.81Å; N626-N629 PolarHBondContact O-N 2.92Å; I627-N629 VanDerWaalsContact C-N 3.27Å; I627-N629 PolarHBondContact O-N 3.38Å; N629-I632 PolarHBondContact O-N 3.44Å; N629-K633 WeakPolarHBondContact O-CG 3.34Å; N629-K633 PolarHBondContact O-N 3.29Å; N629-K633 VanDerWaalsContact O-N 3.1Å
630	E	76.6	Confident	74.7	Confident	109 Å²	109	53.2 Å²	53.2	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-35.8	175.2	-63.1	-47.7	124.4	0	0	112.4	N626 I627 K633 Y634	N626-E630 PolarHBondContact O-N 2.84Å; I627-E630 PolarHBondContact O-N 2.82Å; E630-K633 PolarHBondContact O-N 2.82Å; E630-K633 IonicContact OE1-NZ 3.37Å; E630-K633 PolarHBondContact OE1-NZ 3.08Å; E630-K633 WeakPolarHBondContact OE2-CD 3.47Å; E630-K633 IonicContact OE2-NZ 2.79Å; E630-Y634 WeakPolarHBondContact O-CB 3.36Å; E630-Y634 PolarHBondContact O-N 2.88Å
631	L	75.9	Confident	76	Confident	33 Å²	33	54.8 Å²	54.8	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-44	172.3	-70.2	179.4	0	0	0	112	I462 I627 K633 Y634 E635	I462-L631 HydrophobicContact CG2-CD1 4.04Å; I627-L631 HydrophobicContact CG2-CD1 4.14Å; I627-L631 HydrophobicContact CG2-CG 4.44Å; I627-L631 VanDerWaalsContact O-CG 3.3Å; I627-L631 WeakPolarHBondContact O-CG 3.41Å; I627-L631 PolarHBondContact O-N 2.64Å; L631-K633 PolarHBondContact O-N 2.98Å; L631-Y634 PolarHBondContact O-N 2.91Å; L631-E635 WeakPolarHBondContact O-CG 3.3Å; L631-E635 PolarHBondContact O-N 3.4Å
632	I	77.5	Confident	77.1	Confident	16 Å²	16	51.5 Å²	51.5	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-40.7	177.7	-69.7	163.7	0	0	0	111.3	R431 T628 N629 E635 W636	R431-I632 HydrophobicContact CG-CD1 3.91Å; R431-I632 HydrophobicContact CG-CG1 4.15Å; T628-I632 WeakPolarHBondContact O-CD1 3.5Å; T628-I632 VanDerWaalsContact O-CG1 3.25Å; T628-I632 WeakPolarHBondContact O-CG1 3.46Å; T628-I632 PolarHBondContact O-N 2.87Å; N629-I632 PolarHBondContact O-N 3.44Å; I632-E635 PolarHBondContact O-N 3.23Å; I632-W636 VanDerWaalsContact O-CD1 3.31Å; I632-W636 PolarHBondContact O-N 3.47Å
633	K	80.4	Confident	78.1	Confident	80 Å²	80	49 Å²	49	35%	0.348	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-45.4	173.1	-69.9	168.5	-178.5	175.2	0	111.8	N629 E630 L631 W636 K637	N629-K633 WeakPolarHBondContact O-CG 3.34Å; N629-K633 PolarHBondContact O-N 3.29Å; N629-K633 VanDerWaalsContact O-N 3.1Å; E630-K633 PolarHBondContact O-N 2.82Å; E630-K633 IonicContact OE1-NZ 3.37Å; E630-K633 PolarHBondContact OE1-NZ 3.08Å; E630-K633 WeakPolarHBondContact OE2-CD 3.47Å; E630-K633 IonicContact OE2-NZ 2.79Å; L631-K633 PolarHBondContact O-N 2.98Å; K633-W636 PolarHBondContact O-N 2.93Å; K633-K637 WeakPolarHBondContact O-CB 3.49Å; K633-K637 PolarHBondContact O-N 2.68Å
634	Y	78.2	Confident	78.9	Confident	78 Å²	78	45.2 Å²	45.2	31%	0.306	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-43	179.2	-175	-94.8	0	0	0	111.9	D455 E630 L631 K637 I638	D455-Y634 HydrophobicContact CB-CE1 4.02Å; D455-Y634 WeakPolarHBondContact CB-OH 3.42Å; D455-Y634 PolarHBondContact OD2-OH 3.49Å; E630-Y634 WeakPolarHBondContact O-CB 3.36Å; E630-Y634 PolarHBondContact O-N 2.88Å; L631-Y634 PolarHBondContact O-N 2.91Å; Y634-K637 PolarHBondContact O-N 3.36Å; Y634-I638 HydrophobicContact CD1-CD1 3.91Å; Y634-I638 HydrophobicContact CE1-CD1 3.28Å; Y634-I638 HydrophobicContact CE1-CG1 4.3Å; Y634-I638 HydrophobicContact CE2-CD1 4.45Å; Y634-I638 PolarHBondContact O-N 2.83Å
635	E	80.5	Confident	79.6	Confident	14 Å²	14	45.7 Å²	45.7	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-50.6	174.8	-77.2	-175.3	-122.1	0	0	112.5	R437 L631 I632 K637 I638 I639	R437-E635 IonicContact CZ-OE1 2.76Å; R437-E635 IonicContact CZ-OE2 3.18Å; R437-E635 IonicContact NE-OE1 3.34Å; R437-E635 IonicContact NE-OE2 3.95Å; R437-E635 PolarHBondContact NE-OE2 2.82Å; R437-E635 IonicContact NH2-OE1 3.3Å; R437-E635 PolarHBondContact NH2-OE1 2.96Å; R437-E635 IonicContact NH2-OE2 2.7Å; R437-E635 PolarHBondContact NH2-OE2 3.38Å; R437-E635 VanDerWaalsContact NH2-OE2 3.15Å; L631-E635 WeakPolarHBondContact O-CG 3.3Å; L631-E635 PolarHBondContact O-N 3.4Å; I632-E635 PolarHBondContact O-N 3.23Å; E635-K637 VanDerWaalsContact C-N 3.33Å; E635-K637 PolarHBondContact O-N 2.96Å; E635-I638 PolarHBondContact O-N 3.15Å; E635-I639 VanDerWaalsContact O-CG1 3.28Å; E635-I639 WeakPolarHBondContact O-CG1 3.22Å; E635-I639 PolarHBondContact O-N 2.97Å
636	W	83.9	Confident	80.2	Confident	14 Å²	14	44.4 Å²	44.4	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-38.5	178.1	-80	104.1	0	0	0	112.5	L422 K425 G426 S430 A432 L436 I632 K633 I638 I639 A640	L422-W636 HydrophobicContact CB-CE3 4.43Å; L422-W636 HydrophobicContact CD2-CE3 4.42Å; L422-W636 HydrophobicContact CD2-CZ3 3.72Å; L422-W636 VanDerWaalsContact O-CE3 3.27Å; K425-W636 HydrophobicContact CB-CD2 3.98Å; K425-W636 HydrophobicContact CB-CE3 4.12Å; K425-W636 HydrophobicContact CB-CH2 4.22Å; K425-W636 HydrophobicContact CB-CZ2 4.05Å; K425-W636 HydrophobicContact CB-CZ3 4.25Å; K425-W636 HydrophobicContact CD-CH2 4.01Å; K425-W636 HydrophobicContact CD-CZ2 4.49Å; K425-W636 HydrophobicContact CD-CZ3 4.18Å; G426-W636 VanDerWaalsContact CA-CD1 3.46Å; S430-W636 PolarHBondContact O-NE1 2.82Å; A432-W636 HydrophobicContact CB-CH2 4.47Å; A432-W636 HydrophobicContact CB-CZ2 4.06Å; L436-W636 HydrophobicContact CD2-CH2 4.21Å; L436-W636 HydrophobicContact CD2-CZ3 4.07Å; I632-W636 VanDerWaalsContact O-CD1 3.31Å; I632-W636 PolarHBondContact O-N 3.47Å; K633-W636 PolarHBondContact O-N 2.93Å; W636-I638 VanDerWaalsContact C-N 3.3Å; W636-I638 PolarHBondContact O-N 3.19Å; W636-I639 HydrophobicContact CE3-CD1 4.31Å; W636-I639 HydrophobicContact CE3-CG2 4.46Å; W636-I639 PolarHBondContact O-N 2.88Å; W636-A640 WeakPolarHBondContact O-CB 3.42Å; W636-A640 PolarHBondContact O-N 3.3Å
637	K	82.5	Confident	80.5	Confident	75 Å²	75	42.7 Å²	42.7	33%	0.326	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-32.8	176.4	-165.1	168.3	-165.5	168.2	0	112.6	N362 K633 Y634 E635 K641	N362-K637 WeakPolarHBondContact OD1-CE 3.49Å; K633-K637 WeakPolarHBondContact O-CB 3.49Å; K633-K637 PolarHBondContact O-N 2.68Å; Y634-K637 PolarHBondContact O-N 3.36Å; E635-K637 VanDerWaalsContact C-N 3.33Å; E635-K637 PolarHBondContact O-N 2.96Å; K637-K641 VanDerWaalsContact O-CG 3.25Å; K637-K641 WeakPolarHBondContact O-CG 3.43Å; K637-K641 PolarHBondContact O-N 2.89Å
638	I	80.6	Confident	81	Confident	17 Å²	17	40.1 Å²	40.1	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-75	-43.6	171.4	-73.2	-177.2	0	0	0	111.5	M456 Y634 E635 W636 A640 K641 I642	M456-I638 HydrophobicContact CE-CG2 3.89Å; M456-I638 HydrophobicContact CG-CD1 3.57Å; M456-I638 HydrophobicContact CG-CG2 4.16Å; M456-I638 HydrophobicContact SD-CB 4.11Å; M456-I638 HydrophobicContact SD-CD1 3.8Å; M456-I638 HydrophobicContact SD-CG2 3.75Å; Y634-I638 HydrophobicContact CD1-CD1 3.91Å; Y634-I638 HydrophobicContact CE1-CD1 3.28Å; Y634-I638 HydrophobicContact CE1-CG1 4.3Å; Y634-I638 HydrophobicContact CE2-CD1 4.45Å; Y634-I638 PolarHBondContact O-N 2.83Å; E635-I638 PolarHBondContact O-N 3.15Å; W636-I638 VanDerWaalsContact C-N 3.3Å; W636-I638 PolarHBondContact O-N 3.19Å; I638-A640 VanDerWaalsContact C-N 3.32Å; I638-A640 PolarHBondContact O-N 3.33Å; I638-K641 PolarHBondContact O-N 3Å; I638-I642 HydrophobicContact CG2-CD1 3.59Å; I638-I642 HydrophobicContact CG2-CG1 4.21Å; I638-I642 WeakPolarHBondContact O-CG1 3.43Å; I638-I642 PolarHBondContact O-N 2.62Å
639	I	82.8	Confident	81.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-55.3	-49.7	175.7	-68.9	162.9	0	0	0	110.1	A432 L436 T440 E635 W636 K641 I642 T643	A432-I639 HydrophobicContact CB-CD1 3.64Å; L436-I639 HydrophobicContact CD1-CG2 4.33Å; L436-I639 HydrophobicContact CD2-CD1 4.27Å; L436-I639 HydrophobicContact CD2-CG2 4.03Å; L436-I639 HydrophobicContact CG-CD1 4.39Å; L436-I639 HydrophobicContact CG-CG2 4.25Å; T440-I639 HydrophobicContact CG2-CG1 4Å; E635-I639 VanDerWaalsContact O-CG1 3.28Å; E635-I639 WeakPolarHBondContact O-CG1 3.22Å; E635-I639 PolarHBondContact O-N 2.97Å; W636-I639 HydrophobicContact CE3-CD1 4.31Å; W636-I639 HydrophobicContact CE3-CG2 4.46Å; W636-I639 PolarHBondContact O-N 2.88Å; I639-K641 PolarHBondContact O-N 2.97Å; I639-I642 PolarHBondContact O-N 2.91Å; I639-T643 WeakPolarHBondContact O-CB 3.45Å; I639-T643 PolarHBondContact O-N 3.19Å; I639-T643 PolarHBondContact O-OG1 3.08Å; I639-T643 VanDerWaalsContact O-OG1 3.09Å
640	A	83.7	Confident	81.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-46.2	178.8	0	0	0	0	0	112.3	I361 V419 L422 D423 W636 I638 I642 T643 D644	I361-A640 HydrophobicContact CD1-CB 3.73Å; V419-A640 HydrophobicContact CG1-CB 4.28Å; L422-A640 HydrophobicContact CB-CB 4.34Å; D423-A640 HydrophobicContact CB-CB 4.24Å; W636-A640 WeakPolarHBondContact O-CB 3.42Å; W636-A640 PolarHBondContact O-N 3.3Å; I638-A640 VanDerWaalsContact C-N 3.32Å; I638-A640 PolarHBondContact O-N 3.33Å; A640-I642 PolarHBondContact O-N 2.94Å; A640-T643 PolarHBondContact O-N 2.73Å; A640-D644 VanDerWaalsContact O-CB 3.3Å; A640-D644 WeakPolarHBondContact O-CB 3.28Å; A640-D644 PolarHBondContact O-N 2.99Å
641	K	83.1	Confident	82.1	Confident	91 Å²	91	37.4 Å²	37.4	40%	0.396	18%	0.179	S	C	.	.	H	α-helix	trans	-60.2	-41	174.4	-75.9	172.6	-179.8	-179.2	0	113.3	K637 I638 I639 R645	K637-K641 VanDerWaalsContact O-CG 3.25Å; K637-K641 WeakPolarHBondContact O-CG 3.43Å; K637-K641 PolarHBondContact O-N 2.89Å; I638-K641 PolarHBondContact O-N 3Å; I639-K641 PolarHBondContact O-N 2.97Å; K641-R645 WeakPolarHBondContact O-CG 3.49Å; K641-R645 PolarHBondContact O-N 3.15Å
642	I	82.4	Confident	82.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-45	179.1	-71.4	172.7	0	0	0	110.4	T440 L444 C445 I638 I639 A640 D644 R645 L646	T440-I642 HydrophobicContact CG2-CD1 4.23Å; T440-I642 HydrophobicContact CG2-CG2 4.28Å; L444-I642 HydrophobicContact CB-CG2 3.6Å; L444-I642 HydrophobicContact CD1-CG2 4.08Å; L444-I642 HydrophobicContact CG-CG2 4.46Å; C445-I642 HydrophobicContact CB-CD1 4.03Å; I638-I642 HydrophobicContact CG2-CD1 3.59Å; I638-I642 HydrophobicContact CG2-CG1 4.21Å; I638-I642 WeakPolarHBondContact O-CG1 3.43Å; I638-I642 PolarHBondContact O-N 2.62Å; I639-I642 PolarHBondContact O-N 2.91Å; A640-I642 PolarHBondContact O-N 2.94Å; I642-D644 VanDerWaalsContact C-N 3.3Å; I642-D644 PolarHBondContact O-N 3.39Å; I642-R645 PolarHBondContact O-N 3.47Å; I642-L646 HydrophobicContact CG2-CD1 4.33Å; I642-L646 WeakPolarHBondContact O-CB 3.11Å; I642-L646 PolarHBondContact O-N 3.49Å
643	T	82.8	Confident	83	Confident	32 Å²	32	42.6 Å²	42.6	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-43.2	174.8	-62.8	0	0	0	0	111.5	V419 L422 I639 A640 L646 L647	V419-T643 HydrophobicContact CG2-CG2 4.04Å; L422-T643 HydrophobicContact CD1-CG2 4.12Å; I639-T643 WeakPolarHBondContact O-CB 3.45Å; I639-T643 PolarHBondContact O-N 3.19Å; I639-T643 PolarHBondContact O-OG1 3.08Å; I639-T643 VanDerWaalsContact O-OG1 3.09Å; A640-T643 PolarHBondContact O-N 2.73Å; T643-L646 PolarHBondContact O-N 3.24Å; T643-L647 HydrophobicContact CG2-CD1 3.66Å; T643-L647 WeakPolarHBondContact O-CD1 3.29Å; T643-L647 VanDerWaalsContact O-CG 3.27Å; T643-L647 WeakPolarHBondContact O-CG 3.43Å; T643-L647 PolarHBondContact O-N 3.38Å; T643-L647 VanDerWaalsContact O-N 3.08Å
644	D	85.4	Confident	83.1	Confident	11 Å²	11	42.7 Å²	42.7	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-47.1	178.4	-164.9	30.6	0	0	0	112.7	K366 V419 A640 I642 L646 L647 F648	K366-D644 IonicContact NZ-OD1 3.21Å; K366-D644 PolarHBondContact NZ-OD1 2.97Å; K366-D644 IonicContact NZ-OD2 2.74Å; K366-D644 PolarHBondContact NZ-OD2 3.33Å; V419-D644 HydrophobicContact CG1-CB 4.23Å; V419-D644 HydrophobicContact CG2-CB 4.34Å; A640-D644 VanDerWaalsContact O-CB 3.3Å; A640-D644 WeakPolarHBondContact O-CB 3.28Å; A640-D644 PolarHBondContact O-N 2.99Å; I642-D644 VanDerWaalsContact C-N 3.3Å; I642-D644 PolarHBondContact O-N 3.39Å; D644-L646 PolarHBondContact O-N 2.89Å; D644-L647 PolarHBondContact O-N 3.35Å; D644-F648 PolarHBondContact O-N 3.2Å
645	R	84	Confident	83.2	Confident	54 Å²	54	40.5 Å²	40.5	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-30.1	177.7	-69.9	-58.7	-168.1	-168.2	3.3	113.7	F448 Y449 K641 I642 I649	F448-R645 HydrophobicContact CD1-CB 3.62Å; F448-R645 HydrophobicContact CD1-CG 4.43Å; F448-R645 HydrophobicContact CE1-CB 3.67Å; F448-R645 WeakPolarHBondContact CE1-O 3.5Å; F448-R645 HydrophobicContact CG-CB 4.15Å; F448-R645 HydrophobicContact CZ-CB 4.27Å; F448-R645 WeakPolarHBondContact CZ-O 3.29Å; Y449-R645 HydrophobicContact CE2-CG 4.26Å; K641-R645 WeakPolarHBondContact O-CG 3.49Å; K641-R645 PolarHBondContact O-N 3.15Å; I642-R645 PolarHBondContact O-N 3.47Å; R645-I649 PolarHBondContact O-N 3.08Å
646	L	82.4	Confident	83.4	Confident	53 Å²	53	46 Å²	46	28%	0.277	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-48.9	169	-91.1	168.9	0	0	0	112.1	L444 F448 I642 T643 D644 F648 I649 C650	L444-L646 HydrophobicContact CD1-CD1 3.53Å; L444-L646 HydrophobicContact CD2-CD1 3.78Å; L444-L646 HydrophobicContact CD2-CD2 3.88Å; L444-L646 HydrophobicContact CD2-CG 4.16Å; L444-L646 HydrophobicContact CG-CD1 4.19Å; F448-L646 HydrophobicContact CE2-CD2 3.79Å; F448-L646 HydrophobicContact CE2-CG 3.71Å; F448-L646 HydrophobicContact CZ-CD2 4.1Å; F448-L646 HydrophobicContact CZ-CG 4.12Å; I642-L646 HydrophobicContact CG2-CD1 4.33Å; I642-L646 WeakPolarHBondContact O-CB 3.11Å; I642-L646 PolarHBondContact O-N 3.49Å; T643-L646 PolarHBondContact O-N 3.24Å; D644-L646 PolarHBondContact O-N 2.89Å; L646-F648 VanDerWaalsContact C-N 3.26Å; L646-F648 PolarHBondContact O-N 3.03Å; L646-I649 PolarHBondContact O-N 3.28Å; L646-C650 PolarHBondContact O-N 2.82Å; L646-C650 PolarHBondContact O-SG 3.18Å; L646-C650 VanDerWaalsContact O-SG 3.41Å
647	L	81	Confident	83.3	Confident	55 Å²	55	49.7 Å²	49.7	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-71.6	-25.4	-174.6	-66.9	163.2	0	0	0	111.6	F357 V415 T643 D644 F651	F357-L647 HydrophobicContact CE1-CB 3.98Å; V415-L647 HydrophobicContact CB-CD1 4.27Å; V415-L647 HydrophobicContact CG1-CB 3.99Å; V415-L647 HydrophobicContact CG1-CD1 3.42Å; V415-L647 VanDerWaalsContact CG1-CD1 3.42Å; V415-L647 HydrophobicContact CG1-CG 4.24Å; V415-L647 HydrophobicContact CG2-CD1 3.89Å; V415-L647 HydrophobicContact CG2-CD2 4.35Å; T643-L647 HydrophobicContact CG2-CD1 3.66Å; T643-L647 WeakPolarHBondContact O-CD1 3.29Å; T643-L647 VanDerWaalsContact O-CG 3.27Å; T643-L647 WeakPolarHBondContact O-CG 3.43Å; T643-L647 PolarHBondContact O-N 3.38Å; T643-L647 VanDerWaalsContact O-N 3.08Å; D644-L647 PolarHBondContact O-N 3.35Å; L647-F651 WeakPolarHBondContact O-CB 3.5Å; L647-F651 PolarHBondContact O-N 3.18Å
648	F	85.6	Confident	83.2	Confident	37 Å²	37	47.2 Å²	47.2	16%	0.162	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-48.7	162.9	-179	-119.4	0	0	0	113.2	L354 F357 D644 L646 F651 I652	L354-F648 HydrophobicContact CB-CE2 4.12Å; L354-F648 HydrophobicContact CD2-CD2 4.29Å; L354-F648 HydrophobicContact CD2-CE2 3.84Å; F357-F648 HydrophobicContact CB-CB 3.82Å; F357-F648 HydrophobicContact CB-CD2 3.44Å; F357-F648 VanDerWaalsContact CB-CD2 3.44Å; F357-F648 HydrophobicContact CB-CE2 4.27Å; F357-F648 HydrophobicContact CB-CG 3.95Å; F357-F648 HydrophobicContact CD1-CB 4.09Å; F357-F648 AromaticContact CD2-CD2 3.93Å; F357-F648 HydrophobicContact CD2-CD2 3.93Å; F357-F648 HydrophobicContact CG-CB 3.93Å; F357-F648 AromaticContact CG-CD2 3.87Å; F357-F648 HydrophobicContact CG-CD2 3.87Å; F357-F648 HydrophobicContact CG-CG 4.37Å; D644-F648 PolarHBondContact O-N 3.2Å; L646-F648 VanDerWaalsContact C-N 3.26Å; L646-F648 PolarHBondContact O-N 3.03Å; F648-F651 PolarHBondContact O-N 2.76Å; F648-I652 HydrophobicContact CD1-CD1 4.08Å; F648-I652 HydrophobicContact CD2-CD1 4.31Å; F648-I652 HydrophobicContact CE1-CD1 3.7Å; F648-I652 HydrophobicContact CE2-CD1 3.98Å; F648-I652 HydrophobicContact CG-CD1 4.4Å; F648-I652 HydrophobicContact CZ-CD1 3.66Å; F648-I652 WeakPolarHBondContact O-CG1 3.17Å; F648-I652 PolarHBondContact O-N 3.39Å
649	I	83.4	Confident	83.1	Confident	59 Å²	59	51.3 Å²	51.3	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-44.4	176.9	-70.4	-167.9	0	0	0	110.9	F447 F448 R645 L646 F651 I652 I653	F447-I649 HydrophobicContact CE1-CD1 3.98Å; F448-I649 HydrophobicContact CE1-CD1 3.5Å; F448-I649 HydrophobicContact CE1-CG1 4.06Å; F448-I649 HydrophobicContact CZ-CD1 3.62Å; F448-I649 HydrophobicContact CZ-CG1 4.18Å; R645-I649 PolarHBondContact O-N 3.08Å; L646-I649 PolarHBondContact O-N 3.28Å; I649-F651 VanDerWaalsContact C-N 3.29Å; I649-F651 PolarHBondContact O-N 3.4Å; I649-I652 PolarHBondContact O-N 2.84Å; I649-I653 HydrophobicContact CG2-CD1 3.7Å; I649-I653 HydrophobicContact CG2-CG1 4.37Å; I649-I653 WeakPolarHBondContact O-CG1 3.49Å; I649-I653 PolarHBondContact O-N 3.47Å
650	C	84	Confident	82.9	Confident	56 Å²	56	54.1 Å²	54.1	38%	0.378	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-42.9	174.6	-64.9	0	0	0	0	111.5	L646 I653 I654	L646-C650 PolarHBondContact O-N 2.82Å; L646-C650 PolarHBondContact O-SG 3.18Å; L646-C650 VanDerWaalsContact O-SG 3.41Å; C650-I653 PolarHBondContact O-N 2.93Å; C650-I654 WeakPolarHBondContact O-CB 3.37Å; C650-I654 WeakPolarHBondContact O-CD1 3.24Å; C650-I654 WeakPolarHBondContact O-CG1 3.42Å; C650-I654 PolarHBondContact O-N 3.05Å
651	F	85.1	Confident	82.4	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.035	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-44.1	176.8	-178.3	-84.3	0	0	0	112.4	T353 L354 F357 I408 T412 L647 F648 I649 I654 T655	T353-F651 VanDerWaalsContact OG1-CE1 3.32Å; T353-F651 WeakPolarHBondContact OG1-CE1 3.33Å; T353-F651 WeakPolarHBondContact OG1-CZ 3.2Å; L354-F651 HydrophobicContact CD2-CD1 3.49Å; L354-F651 VanDerWaalsContact CD2-CD1 3.49Å; L354-F651 HydrophobicContact CD2-CE1 3.64Å; L354-F651 HydrophobicContact CG-CD1 4.47Å; L354-F651 HydrophobicContact CG-CE1 4.15Å; F357-F651 HydrophobicContact CE2-CB 3.8Å; F357-F651 HydrophobicContact CE2-CD1 4.21Å; F357-F651 AromaticContact CE2-CD2 3.91Å; F357-F651 HydrophobicContact CE2-CD2 3.91Å; F357-F651 AromaticContact CE2-CG 3.69Å; F357-F651 HydrophobicContact CE2-CG 3.69Å; F357-F651 HydrophobicContact CZ-CB 3.97Å; F357-F651 HydrophobicContact CZ-CD2 4.28Å; F357-F651 HydrophobicContact CZ-CG 4.22Å; I408-F651 HydrophobicContact CB-CE2 4.39Å; I408-F651 HydrophobicContact CG2-CD2 3.44Å; I408-F651 VanDerWaalsContact CG2-CD2 3.44Å; I408-F651 HydrophobicContact CG2-CE2 3.36Å; I408-F651 HydrophobicContact CG2-CZ 4.42Å; T412-F651 HydrophobicContact CG2-CD2 3.31Å; T412-F651 HydrophobicContact CG2-CE2 3.53Å; T412-F651 HydrophobicContact CG2-CG 4.38Å; L647-F651 WeakPolarHBondContact O-CB 3.5Å; L647-F651 PolarHBondContact O-N 3.18Å; F648-F651 PolarHBondContact O-N 2.76Å; I649-F651 VanDerWaalsContact C-N 3.29Å; I649-F651 PolarHBondContact O-N 3.4Å; F651-I654 PolarHBondContact O-N 3.35Å; F651-T655 HydrophobicContact CD1-CG2 4.05Å; F651-T655 HydrophobicContact CD2-CG2 4.48Å; F651-T655 HydrophobicContact CE1-CG2 3.51Å; F651-T655 HydrophobicContact CE2-CG2 4.02Å; F651-T655 HydrophobicContact CG-CG2 4.49Å; F651-T655 HydrophobicContact CZ-CG2 3.47Å; F651-T655 VanDerWaalsContact CZ-CG2 3.47Å; F651-T655 WeakPolarHBondContact O-CB 3.31Å; F651-T655 WeakPolarHBondContact O-CG2 3.47Å; F651-T655 PolarHBondContact O-N 3.14Å; F651-T655 PolarHBondContact O-OG1 3.31Å
652	I	85.3	Confident	81.9	Confident	68 Å²	68	53.8 Å²	53.8	35%	0.349	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-45.9	175.6	-70.1	171.9	0	0	0	110.7	L354 F648 I649 T655 F656	L354-I652 HydrophobicContact CD2-CD1 4.32Å; L354-I652 HydrophobicContact CD2-CG1 3.62Å; F648-I652 HydrophobicContact CD1-CD1 4.08Å; F648-I652 HydrophobicContact CD2-CD1 4.31Å; F648-I652 HydrophobicContact CE1-CD1 3.7Å; F648-I652 HydrophobicContact CE2-CD1 3.98Å; F648-I652 HydrophobicContact CG-CD1 4.4Å; F648-I652 HydrophobicContact CZ-CD1 3.66Å; F648-I652 WeakPolarHBondContact O-CG1 3.17Å; F648-I652 PolarHBondContact O-N 3.39Å; I649-I652 PolarHBondContact O-N 2.84Å; I652-T655 PolarHBondContact O-OG1 3.47Å; I652-F656 WeakPolarHBondContact O-CB 3.46Å; I652-F656 PolarHBondContact O-N 3.4Å
653	I	85.2	Confident	81.3	Confident	90 Å²	90	55.8 Å²	55.8	46%	0.462	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-47.9	179.4	-68	168.2	0	0	0	110.6	I649 C650 F656 I657	I649-I653 HydrophobicContact CG2-CD1 3.7Å; I649-I653 HydrophobicContact CG2-CG1 4.37Å; I649-I653 WeakPolarHBondContact O-CG1 3.49Å; I649-I653 PolarHBondContact O-N 3.47Å; C650-I653 PolarHBondContact O-N 2.93Å; I653-F656 PolarHBondContact O-N 3.14Å; I653-I657 HydrophobicContact CG2-CD1 3.72Å; I653-I657 WeakPolarHBondContact O-CB 3.49Å; I653-I657 VanDerWaalsContact O-CG1 3.25Å; I653-I657 WeakPolarHBondContact O-CG1 3.3Å; I653-I657 PolarHBondContact O-N 2.91Å
654	I	82.8	Confident	80.8	Confident	81 Å²	81	57.6 Å²	57.6	42%	0.415	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-46.7	-179.7	-66.8	164.2	0	0	0	110.8	I408 C650 F651 F656 I657 C658	I408-I654 HydrophobicContact CD1-CG2 3.67Å; I408-I654 HydrophobicContact CG1-CG2 3.96Å; C650-I654 WeakPolarHBondContact O-CB 3.37Å; C650-I654 WeakPolarHBondContact O-CD1 3.24Å; C650-I654 WeakPolarHBondContact O-CG1 3.42Å; C650-I654 PolarHBondContact O-N 3.05Å; F651-I654 PolarHBondContact O-N 3.35Å; I654-F656 VanDerWaalsContact C-N 3.35Å; I654-F656 PolarHBondContact O-N 3.25Å; I654-I657 PolarHBondContact O-N 2.95Å; I654-C658 PolarHBondContact O-N 3.49Å; I654-C658 PolarHBondContact O-SG 3.39Å; I654-C658 VanDerWaalsContact O-SG 3.32Å
655	T	81.4	Confident	80	Confident	32 Å²	32	65 Å²	65	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-34.4	179	49.8	0	0	0	0	113	I408 F651 I652 C658 Y659	I408-T655 HydrophobicContact CD1-CG2 4.3Å; F651-T655 HydrophobicContact CD1-CG2 4.05Å; F651-T655 HydrophobicContact CD2-CG2 4.48Å; F651-T655 HydrophobicContact CE1-CG2 3.51Å; F651-T655 HydrophobicContact CE2-CG2 4.02Å; F651-T655 HydrophobicContact CG-CG2 4.49Å; F651-T655 HydrophobicContact CZ-CG2 3.47Å; F651-T655 VanDerWaalsContact CZ-CG2 3.47Å; F651-T655 WeakPolarHBondContact O-CB 3.31Å; F651-T655 WeakPolarHBondContact O-CG2 3.47Å; F651-T655 PolarHBondContact O-N 3.14Å; F651-T655 PolarHBondContact O-OG1 3.31Å; I652-T655 PolarHBondContact O-OG1 3.47Å; T655-C658 PolarHBondContact O-N 3.21Å; T655-Y659 WeakPolarHBondContact O-CB 3.3Å; T655-Y659 PolarHBondContact O-N 3.14Å
656	F	83.5	Confident	79.1	Confident	131 Å²	131	63.9 Å²	63.9	58%	0.575	32%	0.319	S	S	*	.	H	α-helix	trans	-67.9	-41.7	173.4	-172.5	-112.7	0	0	0	112.2	I652 I653 I654 Y659 I660	I652-F656 WeakPolarHBondContact O-CB 3.46Å; I652-F656 PolarHBondContact O-N 3.4Å; I653-F656 PolarHBondContact O-N 3.14Å; I654-F656 VanDerWaalsContact C-N 3.35Å; I654-F656 PolarHBondContact O-N 3.25Å; F656-Y659 PolarHBondContact O-N 3.17Å; F656-I660 HydrophobicContact CD1-CD1 3.79Å; F656-I660 HydrophobicContact CE1-CD1 3.45Å; F656-I660 VanDerWaalsContact CE1-CD1 3.45Å; F656-I660 HydrophobicContact CE2-CD1 4.41Å; F656-I660 HydrophobicContact CG-CD1 4.41Å; F656-I660 HydrophobicContact CZ-CD1 3.8Å; F656-I660 WeakPolarHBondContact O-CG1 3.43Å; F656-I660 PolarHBondContact O-N 2.68Å
657	I	83.4	Confident	78.3	Confident	90 Å²	90	68 Å²	68	46%	0.462	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-49.1	172.4	-70.7	166.2	0	0	0	110.3	I653 I654 Y659 I660 C661	I653-I657 HydrophobicContact CG2-CD1 3.72Å; I653-I657 WeakPolarHBondContact O-CB 3.49Å; I653-I657 VanDerWaalsContact O-CG1 3.25Å; I653-I657 WeakPolarHBondContact O-CG1 3.3Å; I653-I657 PolarHBondContact O-N 2.91Å; I654-I657 PolarHBondContact O-N 2.95Å; I657-Y659 VanDerWaalsContact C-N 3.31Å; I657-Y659 PolarHBondContact O-N 3.22Å; I657-I660 PolarHBondContact O-N 2.92Å; I657-C661 WeakPolarHBondContact O-CB 3.46Å; I657-C661 PolarHBondContact O-N 3.5Å; I657-C661 PolarHBondContact O-SG 3.02Å; I657-C661 VanDerWaalsContact O-SG 3.34Å
658	C	79.2	Confident	77.4	Confident	24 Å²	24	70.4 Å²	70.4	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-56.8	-44.6	175.2	-70.6	0	0	0	0	111.6	I654 T655 I660 C661 I662	I654-C658 PolarHBondContact O-N 3.49Å; I654-C658 PolarHBondContact O-SG 3.39Å; I654-C658 VanDerWaalsContact O-SG 3.32Å; T655-C658 PolarHBondContact O-N 3.21Å; C658-I660 PolarHBondContact O-N 3.18Å; C658-C661 PolarHBondContact O-N 2.89Å; C658-I662 HydrophobicContact CB-CD1 4.44Å; C658-I662 WeakPolarHBondContact O-CB 3.14Å; C658-I662 WeakPolarHBondContact O-CD1 3.39Å; C658-I662 WeakPolarHBondContact O-CG1 3.28Å; C658-I662 PolarHBondContact O-N 3.35Å
659	Y	79	Confident	76.1	Confident	102 Å²	102	70.7 Å²	70.7	40%	0.4	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-43.6	178.1	-174.2	-94.1	0	0	0	112.4	T655 F656 I657 F663 I664	T655-Y659 WeakPolarHBondContact O-CB 3.3Å; T655-Y659 PolarHBondContact O-N 3.14Å; F656-Y659 PolarHBondContact O-N 3.17Å; I657-Y659 VanDerWaalsContact C-N 3.31Å; I657-Y659 PolarHBondContact O-N 3.22Å; Y659-F663 AromaticContact CD2-CD2 3.39Å; Y659-F663 HydrophobicContact CD2-CD2 3.39Å; Y659-F663 AromaticContact CD2-CE2 3.81Å; Y659-F663 HydrophobicContact CD2-CE2 3.81Å; Y659-F663 HydrophobicContact CD2-CG 4.32Å; Y659-F663 HydrophobicContact CE2-CB 4.39Å; Y659-F663 AromaticContact CE2-CD2 3.48Å; Y659-F663 HydrophobicContact CE2-CD2 3.48Å; Y659-F663 VanDerWaalsContact CE2-CD2 3.48Å; Y659-F663 AromaticContact CE2-CE2 3.95Å; Y659-F663 HydrophobicContact CE2-CE2 3.95Å; Y659-F663 HydrophobicContact CE2-CG 4.03Å; Y659-F663 HydrophobicContact CG-CD2 4.08Å; Y659-F663 WeakPolarHBondContact O-CB 3.44Å; Y659-F663 PolarHBondContact O-N 2.95Å; Y659-I664 HydrophobicContact CE1-CD1 4.49Å
660	I	78.8	Confident	74.5	Confident	61 Å²	61	68.8 Å²	68.8	31%	0.313	35%	0.354	S	S	.	.	I	π-helix	trans	-63.7	-52.7	175.6	-69.1	169.9	0	0	0	110.9	F656 I657 C658 I662 I664 W665	F656-I660 HydrophobicContact CD1-CD1 3.79Å; F656-I660 HydrophobicContact CE1-CD1 3.45Å; F656-I660 VanDerWaalsContact CE1-CD1 3.45Å; F656-I660 HydrophobicContact CE2-CD1 4.41Å; F656-I660 HydrophobicContact CG-CD1 4.41Å; F656-I660 HydrophobicContact CZ-CD1 3.8Å; F656-I660 WeakPolarHBondContact O-CG1 3.43Å; F656-I660 PolarHBondContact O-N 2.68Å; I657-I660 PolarHBondContact O-N 2.92Å; C658-I660 PolarHBondContact O-N 3.18Å; I660-I662 PolarHBondContact O-N 3.04Å; I660-I662 VanDerWaalsContact O-N 3.16Å; I660-I664 HydrophobicContact CG1-CD1 4.22Å; I660-I664 HydrophobicContact CG2-CB 4.45Å; I660-I664 WeakPolarHBondContact O-CA 3.33Å; I660-I664 WeakPolarHBondContact O-CB 3.4Å; I660-I664 PolarHBondContact O-N 2.89Å; I660-W665 PolarHBondContact O-N 3.04Å
661	C	73.6	Confident	72.6	Confident	73 Å²	73	70.1 Å²	70.1	49%	0.493	36%	0.364	S	S	.	.	I	π-helix	trans	-64.4	-19.4	-176.7	-68	0	0	0	0	113.8	I657 C658	I657-C661 WeakPolarHBondContact O-CB 3.46Å; I657-C661 PolarHBondContact O-N 3.5Å; I657-C661 PolarHBondContact O-SG 3.02Å; I657-C661 VanDerWaalsContact O-SG 3.34Å; C658-C661 PolarHBondContact O-N 2.89Å
662	I	70.9	Confident	70.3	Confident	11 Å²	11	73.7 Å²	73.7	6%	0.056	40%	0.395	C	S	.	.	I	π-helix	trans	-105.5	-47.9	-175.7	-67.6	174.3	0	0	0	112	L397 Y401 C658 I660 P666	L397-I662 HydrophobicContact CD1-CB 4.39Å; L397-I662 HydrophobicContact CD1-CG2 3.81Å; L397-I662 WeakPolarHBondContact CD2-O 3.5Å; L397-I662 HydrophobicContact CG-CG2 4.01Å; Y401-I662 HydrophobicContact CD2-CD1 3.99Å; Y401-I662 HydrophobicContact CD2-CG2 4.3Å; Y401-I662 HydrophobicContact CG-CG2 4.43Å; C658-I662 HydrophobicContact CB-CD1 4.44Å; C658-I662 WeakPolarHBondContact O-CB 3.14Å; C658-I662 WeakPolarHBondContact O-CD1 3.39Å; C658-I662 WeakPolarHBondContact O-CG1 3.28Å; C658-I662 PolarHBondContact O-N 3.35Å; I660-I662 PolarHBondContact O-N 3.04Å; I660-I662 VanDerWaalsContact O-N 3.16Å; I662-P666 WeakPolarHBondContact O-CD 3.44Å; I662-P666 VanDerWaalsContact O-CG 3.23Å; I662-P666 WeakPolarHBondContact O-CG 3.41Å
663	F	70.6	Confident	68.1	Low	43 Å²	43	76.9 Å²	76.9	19%	0.189	41%	0.411	C	S	.	.	I	π-helix	trans	-93.9	-36	-176.5	-66.5	-78.8	0	0	0	112.8	Y401 Y659 L667	Y401-F663 HydrophobicContact CD1-CZ 4.35Å; Y401-F663 AromaticContact CD2-CE2 3.75Å; Y401-F663 HydrophobicContact CD2-CE2 3.75Å; Y401-F663 HydrophobicContact CD2-CZ 4.27Å; Y401-F663 HydrophobicContact CE1-CZ 4.46Å; Y401-F663 AromaticContact CE2-CE2 3.75Å; Y401-F663 HydrophobicContact CE2-CE2 3.75Å; Y401-F663 HydrophobicContact CE2-CZ 4.39Å; Y401-F663 HydrophobicContact CG-CE2 4.19Å; Y401-F663 HydrophobicContact CG-CZ 4.25Å; Y659-F663 AromaticContact CD2-CD2 3.39Å; Y659-F663 HydrophobicContact CD2-CD2 3.39Å; Y659-F663 AromaticContact CD2-CE2 3.81Å; Y659-F663 HydrophobicContact CD2-CE2 3.81Å; Y659-F663 HydrophobicContact CD2-CG 4.32Å; Y659-F663 HydrophobicContact CE2-CB 4.39Å; Y659-F663 AromaticContact CE2-CD2 3.48Å; Y659-F663 HydrophobicContact CE2-CD2 3.48Å; Y659-F663 VanDerWaalsContact CE2-CD2 3.48Å; Y659-F663 AromaticContact CE2-CE2 3.95Å; Y659-F663 HydrophobicContact CE2-CE2 3.95Å; Y659-F663 HydrophobicContact CE2-CG 4.03Å; Y659-F663 HydrophobicContact CG-CD2 4.08Å; Y659-F663 WeakPolarHBondContact O-CB 3.44Å; Y659-F663 PolarHBondContact O-N 2.95Å; F663-L667 VanDerWaalsContact O-CD1 3.25Å; F663-L667 WeakPolarHBondContact O-CD1 3.47Å; F663-L667 WeakPolarHBondContact O-CG 3.47Å
664	I	71.7	Confident	65.8	Low	70 Å²	70	78.8 Å²	78.8	36%	0.359	42%	0.417	S	S	.	.	I	π-helix	trans	-91	-41.9	-174.3	-55.4	-172.3	0	0	0	111.1	Y659 I660 L667 I668	Y659-I664 HydrophobicContact CE1-CD1 4.49Å; I660-I664 HydrophobicContact CG1-CD1 4.22Å; I660-I664 HydrophobicContact CG2-CB 4.45Å; I660-I664 WeakPolarHBondContact O-CA 3.33Å; I660-I664 WeakPolarHBondContact O-CB 3.4Å; I660-I664 PolarHBondContact O-N 2.89Å; I664-L667 PolarHBondContact O-N 3.27Å; I664-I668 HydrophobicContact CG2-CD1 3.71Å; I664-I668 HydrophobicContact CG2-CG1 4.25Å; I664-I668 WeakPolarHBondContact O-CG1 3.4Å; I664-I668 PolarHBondContact O-N 2.72Å
665	W	69.9	Low	63.2	Low	167 Å²	167	85.2 Å²	85.2	63%	0.633	45%	0.452	S	S	*	.	H	α-helix	trans	-59.4	-48.2	-178	-175.8	-88.4	0	0	0	113.3	I660 L667 I668 S669	I660-W665 PolarHBondContact O-N 3.04Å; W665-L667 VanDerWaalsContact C-N 3.3Å; W665-L667 PolarHBondContact O-N 3.36Å; W665-I668 PolarHBondContact O-N 3.42Å; W665-I668 VanDerWaalsContact O-N 3.14Å; W665-S669 PolarHBondContact O-N 3.14Å; W665-S669 PolarHBondContact O-OG 3.09Å
666	P	65.3	Low	62.3	Low	31 Å²	31	87.9 Å²	87.9	20%	0.201	47%	0.465	C	S	.	.	H	α-helix	trans	-66.9	-27.3	178.6	-23.6	37.8	0	0	0	114	L177 L397 I662 G670	L177-P666 HydrophobicContact CD2-CB 4.3Å; L397-P666 HydrophobicContact CD1-CG 4.14Å; L397-P666 HydrophobicContact CD2-CB 4.39Å; L397-P666 HydrophobicContact CD2-CG 3.99Å; I662-P666 WeakPolarHBondContact O-CD 3.44Å; I662-P666 VanDerWaalsContact O-CG 3.23Å; I662-P666 WeakPolarHBondContact O-CG 3.41Å; P666-G670 WeakPolarHBondContact O-CA 3.36Å; P666-G670 PolarHBondContact O-N 3.33Å
667	L	63.7	Low	61.2	Low	139 Å²	139	85.6 Å²	85.6	73%	0.728	46%	0.459	S	S	*	.	H	α-helix	trans	-69.3	-38.7	172.6	-69.4	175.1	0	0	0	111.5	F663 I664 W665	F663-L667 VanDerWaalsContact O-CD1 3.25Å; F663-L667 WeakPolarHBondContact O-CD1 3.47Å; F663-L667 WeakPolarHBondContact O-CG 3.47Å; I664-L667 PolarHBondContact O-N 3.27Å; W665-L667 VanDerWaalsContact C-N 3.3Å; W665-L667 PolarHBondContact O-N 3.36Å
668	I	63.6	Low	59.9	Low	105 Å²	105	85.4 Å²	85.4	54%	0.538	46%	0.459	S	S	.	.	H	α-helix	trans	-72.7	-54.4	175.7	-64.6	175.1	0	0	0	110.4	I664 W665 G670 S671	I664-I668 HydrophobicContact CG2-CD1 3.71Å; I664-I668 HydrophobicContact CG2-CG1 4.25Å; I664-I668 WeakPolarHBondContact O-CG1 3.4Å; I664-I668 PolarHBondContact O-N 2.72Å; W665-I668 PolarHBondContact O-N 3.42Å; W665-I668 VanDerWaalsContact O-N 3.14Å; I668-G670 VanDerWaalsContact C-N 3.31Å; I668-G670 PolarHBondContact O-N 2.81Å; I668-S671 WeakPolarHBondContact O-CB 3.29Å; I668-S671 PolarHBondContact O-N 2.9Å; I668-S671 VanDerWaalsContact O-N 3.16Å; I668-S671 PolarHBondContact O-OG 3.05Å
669	S	58	Low	58.8	Low	44 Å²	44	89 Å²	89	31%	0.308	48%	0.476	S	S	.	.	H	α-helix	trans	-67.5	-31.5	-176.7	70	0	0	0	0	112.7	W665 S671 A672	W665-S669 PolarHBondContact O-N 3.14Å; W665-S669 PolarHBondContact O-OG 3.09Å; S669-S671 VanDerWaalsContact C-N 3.26Å; S669-S671 PolarHBondContact O-N 3.12Å; S669-A672 PolarHBondContact O-N 2.98Å; S669-A672 VanDerWaalsContact O-N 3.08Å
670	G	49.6	Very low	57.5	Low	18 Å²	18	88.2 Å²	88.2	19%	0.186	48%	0.481	C	S	.	.	H	α-helix	trans	-58.5	-37	173.1	0	0	0	0	0	112.5	P666 I668 A672 I673 F674	P666-G670 WeakPolarHBondContact O-CA 3.36Å; P666-G670 PolarHBondContact O-N 3.33Å; I668-G670 VanDerWaalsContact C-N 3.31Å; I668-G670 PolarHBondContact O-N 2.81Å; G670-A672 PolarHBondContact O-N 3.17Å; G670-A672 VanDerWaalsContact O-N 3.09Å; G670-I673 PolarHBondContact O-N 3.06Å; G670-F674 WeakPolarHBondContact O-CD2 3.41Å; G670-F674 PolarHBondContact O-N 3.18Å; G670-F674 VanDerWaalsContact O-N 3.12Å
671	S	44.3	Very low	56.1	Low	85 Å²	85	90 Å²	90	59%	0.594	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-12.9	177	74.9	0	0	0	0	114.6	I668 S669	I668-S671 WeakPolarHBondContact O-CB 3.29Å; I668-S671 PolarHBondContact O-N 2.9Å; I668-S671 VanDerWaalsContact O-N 3.16Å; I668-S671 PolarHBondContact O-OG 3.05Å; S669-S671 VanDerWaalsContact C-N 3.26Å; S669-S671 PolarHBondContact O-N 3.12Å
672	A	37.4	Very low	54.8	Low	82 Å²	82	91.2 Å²	91.2	68%	0.678	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	1.1	173.9	0	0	0	0	0	114	S669 G670	S669-A672 PolarHBondContact O-N 2.98Å; S669-A672 VanDerWaalsContact O-N 3.08Å; G670-A672 PolarHBondContact O-N 3.17Å; G670-A672 VanDerWaalsContact O-N 3.09Å
673	I	38.5	Very low	53.6	Low	135 Å²	135	97.4 Å²	97.4	69%	0.692	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-3	179.1	-56.7	176.2	0	0	0	111.1	G670	G670-I673 PolarHBondContact O-N 3.06Å
674	F	36	Very low	52.2	Low	131 Å²	131	101.9 Å²	101.9	58%	0.575	55%	0.554	S	S	*	*			trans	-110.1	21.8	180	-87.6	-74.2	0	0	0	114.3	G670	G670-F674 WeakPolarHBondContact O-CD2 3.41Å; G670-F674 PolarHBondContact O-N 3.18Å; G670-F674 VanDerWaalsContact O-N 3.12Å
675	N	28.3	Very low	50.4	Low	216 Å²	216	104.8 Å²	104.8	100%	1.155	57%	0.572	S	S	*	*			trans	-117.5	0	160.3	-90.1	-5.3	0	0	0	108.2

Retrieved 675 of 675 residues in 201.9 ms (Link to these results)

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