A0A087YCP3_POEFO Loading...

CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2

AlphaFold DB , UniProt , Accession A0A087YCP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	33.4	Very low	233 Å²	233	108.4 Å²	108.4	100%	1.148	87%	0.871	S	S	*	*				0	126.8	0	-86.2	171.3	133.8	0	0	108
2	S	33.4	Very low	33.4	Very low	120 Å²	120	106.1 Å²	106.1	84%	0.839	87%	0.868	S	S	*	*			trans	27.6	126.5	150.5	53.4	0	0	0	0	118.4
3	G	29.1	Very low	33.5	Very low	79 Å²	79	103.9 Å²	103.9	81%	0.814	86%	0.863	S	S	*	*			cis	119.1	149.1	41.4	0	0	0	0	0	109
4	G	30.7	Very low	33.9	Very low	75 Å²	75	108.6 Å²	108.6	77%	0.773	87%	0.866	S	S	*	*			trans	98.6	105	167.1	0	0	0	0	0	114.9
5	A	34	Very low	34.6	Very low	100 Å²	100	114.3 Å²	114.3	83%	0.826	87%	0.865	S	S	*	*				84.5	101.7	87.6	0	0	0	0	0	111.8
6	A	35.1	Very low	35.1	Very low	102 Å²	102	115.1 Å²	115.1	84%	0.843	86%	0.862	S	S	*	*				90.8	115.8	82.2	0	0	0	0	0	113
7	A	32.8	Very low	35.4	Very low	102 Å²	102	112.5 Å²	112.5	84%	0.843	86%	0.855	S	S	*	*				171.4	138.5	127.5	0	0	0	0	0	113.4
8	A	34	Very low	36	Very low	105 Å²	105	117.8 Å²	117.8	87%	0.868	86%	0.857	S	S	*	*			trans	66.4	95.6	151.1	0	0	0	0	0	119.9
9	A	36.9	Very low	36.8	Very low	108 Å²	108	119.1 Å²	119.1	89%	0.893	86%	0.857	S	S	*	*			trans	-107.5	124.8	155.1	0	0	0	0	0	109.2
10	G	33.5	Very low	37.8	Very low	80 Å²	80	125.4 Å²	125.4	83%	0.825	86%	0.861	S	S	*	*			trans	-104	141.5	173.3	0	0	0	0	0	111.9
11	G	33	Very low	38.8	Very low	88 Å²	88	122.8 Å²	122.8	91%	0.907	84%	0.843	S	S	*	*			trans	77	104.1	139.6	0	0	0	0	0	119.1
12	G	32.6	Very low	40.7	Very low	81 Å²	81	115 Å²	115	84%	0.835	81%	0.811	S	S	*	*			trans	162.1	69.9	159.8	0	0	0	0	0	113.9
13	G	35.2	Very low	42.2	Very low	78 Å²	78	119.6 Å²	119.6	80%	0.804	81%	0.81	S	S	*	*			trans	-80.6	114.1	174.9	0	0	0	0	0	112.1
14	D	39.1	Very low	44	Very low	170 Å²	170	125.4 Å²	125.4	91%	0.909	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.3	125.3	167.2	-94.8	-28.8	0	0	0	110.8
15	K	43.9	Very low	45.9	Very low	194 Å²	194	125.7 Å²	125.7	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-88.4	141.8	172.8	-71.2	-178.1	178.6	175.9	0	110.2
16	P	43.6	Very low	47.8	Very low	127 Å²	127	129.7 Å²	129.7	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.3	130.8	173.8	30.1	-31.5	0	0	0	110.6
17	G	39.9	Very low	49.7	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.3	130.2	-179.9	0	0	0	0	0	113	V19	G17-V19 PolarHBondContact O-N 2.96Å
18	K	46.7	Very low	51.8	Low	207 Å²	207	130.6 Å²	130.6	90%	0.9	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.5	118	168.1	-83.5	177.1	173.5	176.4	0	109.9	R20	K18-R20 PolarHBondContact O-N 2.9Å; K18-R20 VanDerWaalsContact O-N 3.13Å
19	V	51.4	Low	53.8	Low	142 Å²	142	130.1 Å²	130.1	86%	0.861	74%	0.743	S	S	*	*			trans	-67.1	108.2	170.2	-178.1	0	0	0	0	108.9	G17 C21	G17-V19 PolarHBondContact O-N 2.96Å; V19-C21 PolarHBondContact O-N 3.02Å; V19-C21 VanDerWaalsContact O-N 3.13Å
20	R	56.7	Low	55.9	Low	245 Å²	245	127 Å²	127	93%	0.925	72%	0.72	S	S	*	*			trans	-74.7	98.8	172.7	-109.8	178.1	169	175.9	-2.7	108.9	K18 S22	K18-R20 PolarHBondContact O-N 2.9Å; K18-R20 VanDerWaalsContact O-N 3.13Å; R20-S22 PolarHBondContact O-N 3.32Å
21	C	58.2	Low	58	Low	71 Å²	71	125.9 Å²	125.9	48%	0.48	70%	0.7	S	S	.	*			trans	-68.9	121.7	172.7	-152.7	0	0	0	0	109.8	V19	V19-C21 PolarHBondContact O-N 3.02Å; V19-C21 VanDerWaalsContact O-N 3.13Å
22	S	74.4	Confident	60.3	Low	70 Å²	70	127.2 Å²	127.2	49%	0.49	69%	0.686	S	S	.	*			trans	-64.2	137.1	-174.8	171	0	0	0	0	112.1	R20 R24 L25	R20-S22 PolarHBondContact O-N 3.32Å; S22-R24 PolarHBondContact O-N 3.18Å; S22-R24 PolarHBondContact OG-N 3.15Å; S22-L25 WeakPolarHBondContact O-CB 3.31Å; S22-L25 PolarHBondContact O-N 3Å
23	R	64.8	Low	62.6	Low	217 Å²	217	125.8 Å²	125.8	82%	0.819	67%	0.666	S	S	*	*	H	α-helix	trans	-52.8	-23.4	176.5	-167.4	175.2	171.8	-168.5	-2.2	113.3	L27	R23-L27 WeakPolarHBondContact O-CG 3.4Å; R23-L27 PolarHBondContact O-N 2.94Å
24	R	66.8	Low	64.7	Low	200 Å²	200	127.5 Å²	127.5	76%	0.755	66%	0.656	S	S	*	*	H	α-helix	trans	-72.3	-32.6	174.5	-66.5	-173.5	179.1	-161.4	-0.3	113.3	S22 L27 L28	S22-R24 PolarHBondContact O-N 3.18Å; S22-R24 PolarHBondContact OG-N 3.15Å; R24-L27 PolarHBondContact O-N 2.76Å; R24-L28 PolarHBondContact O-N 2.85Å; R24-L28 VanDerWaalsContact O-N 3.07Å
25	L	72	Confident	66.7	Low	82 Å²	82	124.1 Å²	124.1	43%	0.429	64%	0.641	S	S	.	*	H	α-helix	trans	-73	-36.1	178.4	-167.8	62.6	0	0	0	111.3	S22 L28 L29	S22-L25 WeakPolarHBondContact O-CB 3.31Å; S22-L25 PolarHBondContact O-N 3Å; L25-L28 PolarHBondContact O-N 2.83Å; L25-L29 HydrophobicContact CG-CD1 4.19Å; L25-L29 WeakPolarHBondContact O-CB 3.06Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.02Å; L25-L29 PolarHBondContact O-N 2.75Å
26	W	72.4	Confident	68.4	Low	183 Å²	183	121.8 Å²	121.8	69%	0.693	63%	0.631	S	S	*	*	H	α-helix	trans	-64.3	-38.4	171.8	-88.2	99.4	0	0	0	113.1	G30	W26-G30 PolarHBondContact O-N 2.04Å
27	L	75.9	Confident	70.1	Confident	121 Å²	121	120 Å²	120	63%	0.634	61%	0.614	S	S	*	*	H	α-helix	trans	-66.9	-40.8	175.1	-71.7	168.2	0	0	0	111.8	R23 R24 G30 S31	R23-L27 WeakPolarHBondContact O-CG 3.4Å; R23-L27 PolarHBondContact O-N 2.94Å; R24-L27 PolarHBondContact O-N 2.76Å; L27-G30 PolarHBondContact O-N 3.4Å; L27-S31 WeakPolarHBondContact O-CB 3.4Å; L27-S31 PolarHBondContact O-N 2.79Å; L27-S31 PolarHBondContact O-OG 2.02Å
28	L	76.1	Confident	71.7	Confident	102 Å²	102	120.2 Å²	120.2	53%	0.534	60%	0.601	S	S	.	*	H	α-helix	trans	-65.3	-47.7	176.2	-82.8	160.9	0	0	0	112	R24 L25 G30 S31 L32	R24-L28 PolarHBondContact O-N 2.85Å; R24-L28 VanDerWaalsContact O-N 3.07Å; L25-L28 PolarHBondContact O-N 2.83Å; L28-G30 VanDerWaalsContact C-N 3.32Å; L28-G30 PolarHBondContact O-N 3.24Å; L28-S31 PolarHBondContact O-N 3.29Å; L28-S31 PolarHBondContact O-OG 3.31Å; L28-L32 PolarHBondContact O-N 3.43Å
29	L	77.3	Confident	72.9	Confident	96 Å²	96	113.6 Å²	113.6	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-63.1	-38.4	177	-70.9	169.5	0	0	0	112.1	L25 L32 A33	L25-L29 HydrophobicContact CG-CD1 4.19Å; L25-L29 WeakPolarHBondContact O-CB 3.06Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.02Å; L25-L29 PolarHBondContact O-N 2.75Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 2.79Å
30	G	81.3	Confident	73.7	Confident	41 Å²	41	111.1 Å²	111.1	42%	0.423	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-42.4	173.8	0	0	0	0	0	112.9	W26 L27 L28 A33 L34	W26-G30 PolarHBondContact O-N 2.04Å; L27-G30 PolarHBondContact O-N 3.4Å; L28-G30 VanDerWaalsContact C-N 3.32Å; L28-G30 PolarHBondContact O-N 3.24Å; G30-A33 PolarHBondContact O-N 3.4Å; G30-L34 PolarHBondContact O-N 2.79Å
31	S	76.6	Confident	74.1	Confident	57 Å²	57	106.6 Å²	106.6	40%	0.399	55%	0.55	S	S	.	*	H	α-helix	trans	-66.5	-40	177.6	67	0	0	0	0	112.8	L27 L28 L34 V35	L27-S31 WeakPolarHBondContact O-CB 3.4Å; L27-S31 PolarHBondContact O-N 2.79Å; L27-S31 PolarHBondContact O-OG 2.02Å; L28-S31 PolarHBondContact O-N 3.29Å; L28-S31 PolarHBondContact O-OG 3.31Å; S31-L34 PolarHBondContact O-N 2.96Å; S31-V35 WeakPolarHBondContact O-CG2 3.42Å; S31-V35 PolarHBondContact O-N 3.27Å; S31-V35 VanDerWaalsContact O-N 3.09Å
32	L	81.4	Confident	74.1	Confident	117 Å²	117	108.7 Å²	108.7	61%	0.613	56%	0.556	S	S	*	*	H	α-helix	trans	-65.6	-40.7	175.4	-92	148.1	0	0	0	112.2	L28 L29 L34 V35 F36	L28-L32 PolarHBondContact O-N 3.43Å; L29-L32 PolarHBondContact O-N 3.49Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-V35 PolarHBondContact O-N 3.07Å; L32-F36 WeakPolarHBondContact O-CB 3.1Å; L32-F36 PolarHBondContact O-N 2.82Å
33	A	81.3	Confident	73.2	Confident	50 Å²	50	108.2 Å²	108.2	41%	0.413	55%	0.553	S	S	.	*	H	α-helix	trans	-64.1	-39	175.1	0	0	0	0	0	112.2	L29 G30 F36 L37	L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 2.79Å; G30-A33 PolarHBondContact O-N 3.4Å; A33-F36 PolarHBondContact O-N 3.46Å; A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.29Å; A33-L37 WeakPolarHBondContact O-CG 3.45Å; A33-L37 PolarHBondContact O-N 3.26Å
34	L	79.5	Confident	72.9	Confident	115 Å²	115	102.1 Å²	102.1	60%	0.602	54%	0.54	S	S	*	.	H	α-helix	trans	-65.4	-44.5	177.8	-168	71.4	0	0	0	111.7	G30 S31 L32 F36 L37 T38	G30-L34 PolarHBondContact O-N 2.79Å; S31-L34 PolarHBondContact O-N 2.96Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L34-F36 VanDerWaalsContact C-N 3.35Å; L34-F36 PolarHBondContact O-N 2.72Å; L34-L37 PolarHBondContact O-N 3.18Å; L34-T38 WeakPolarHBondContact O-CG2 3.49Å; L34-T38 PolarHBondContact O-N 3.2Å; L34-T38 PolarHBondContact O-OG1 3.23Å
35	V	80.8	Confident	72.4	Confident	98 Å²	98	97.2 Å²	97.2	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-61.8	-44	176.7	173	0	0	0	0	110.9	S31 L32 L37 T38 S39	S31-V35 WeakPolarHBondContact O-CG2 3.42Å; S31-V35 PolarHBondContact O-N 3.27Å; S31-V35 VanDerWaalsContact O-N 3.09Å; L32-V35 PolarHBondContact O-N 3.07Å; V35-L37 PolarHBondContact O-N 3.5Å; V35-T38 WeakPolarHBondContact CA-OG1 3.4Å; V35-T38 PolarHBondContact O-N 2.98Å; V35-T38 PolarHBondContact O-OG1 2.93Å; V35-S39 WeakPolarHBondContact O-CB 3.37Å; V35-S39 PolarHBondContact O-N 2.85Å
36	F	80.3	Confident	71.4	Confident	146 Å²	146	100.2 Å²	100.2	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-61.7	-44.4	177.2	-173.6	-97.6	0	0	0	112.2	L32 A33 L34 S39 L40	L32-F36 WeakPolarHBondContact O-CB 3.1Å; L32-F36 PolarHBondContact O-N 2.82Å; A33-F36 PolarHBondContact O-N 3.46Å; L34-F36 VanDerWaalsContact C-N 3.35Å; L34-F36 PolarHBondContact O-N 2.72Å; F36-S39 PolarHBondContact O-N 3.06Å; F36-L40 PolarHBondContact O-N 3.12Å
37	L	77.4	Confident	70.4	Confident	88 Å²	88	102.9 Å²	102.9	46%	0.461	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-42.8	177.2	-73	168.1	0	0	0	111.9	A33 L34 V35 S39 L40 F41	A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.29Å; A33-L37 WeakPolarHBondContact O-CG 3.45Å; A33-L37 PolarHBondContact O-N 3.26Å; L34-L37 PolarHBondContact O-N 3.18Å; V35-L37 PolarHBondContact O-N 3.5Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 2.87Å; L37-L40 PolarHBondContact O-N 2.94Å; L37-F41 VanDerWaalsContact O-CD2 3.31Å; L37-F41 WeakPolarHBondContact O-CD2 2.99Å; L37-F41 PolarHBondContact O-N 3.01Å
38	T	74.3	Confident	68.4	Low	76 Å²	76	99.6 Å²	99.6	47%	0.466	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-36	176.4	55.9	0	0	0	0	112.7	L34 V35 L42	L34-T38 WeakPolarHBondContact O-CG2 3.49Å; L34-T38 PolarHBondContact O-N 3.2Å; L34-T38 PolarHBondContact O-OG1 3.23Å; V35-T38 WeakPolarHBondContact CA-OG1 3.4Å; V35-T38 PolarHBondContact O-N 2.98Å; V35-T38 PolarHBondContact O-OG1 2.93Å; T38-L42 PolarHBondContact O-N 3.23Å; T38-L42 VanDerWaalsContact O-N 3.09Å
39	S	71.3	Confident	66.4	Low	69 Å²	69	98.6 Å²	98.6	48%	0.483	57%	0.571	S	S	.	*	H	α-helix	trans	-68.2	-36.8	174.9	-170.1	0	0	0	0	111.6	V35 F36 L37 S43	V35-S39 WeakPolarHBondContact O-CB 3.37Å; V35-S39 PolarHBondContact O-N 2.85Å; F36-S39 PolarHBondContact O-N 3.06Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 2.87Å; S39-S43 WeakPolarHBondContact O-CB 3.49Å; S39-S43 PolarHBondContact O-N 2.9Å; S39-S43 PolarHBondContact O-OG 2.82Å
40	L	70	Confident	64.4	Low	89 Å²	89	99.9 Å²	99.9	47%	0.466	58%	0.583	S	S	.	*	H	α-helix	trans	-68.2	-42.3	177.7	-167	70.2	0	0	0	111.3	F36 L37 S43 V44	F36-L40 PolarHBondContact O-N 3.12Å; L37-L40 PolarHBondContact O-N 2.94Å; L40-S43 WeakPolarHBondContact O-CB 3.33Å; L40-S43 PolarHBondContact O-N 3.18Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 2.98Å
41	F	63.4	Low	62.3	Low	150 Å²	150	103.2 Å²	103.2	66%	0.658	60%	0.6	S	S	*	*	H	α-helix	trans	-66.2	-36.7	176.5	-87.6	-76.3	0	0	0	113.3	L37 S45	L37-F41 VanDerWaalsContact O-CD2 3.31Å; L37-F41 WeakPolarHBondContact O-CD2 2.99Å; L37-F41 PolarHBondContact O-N 3.01Å; F41-S45 WeakPolarHBondContact O-CB 3.48Å; F41-S45 PolarHBondContact O-N 3.16Å; F41-S45 PolarHBondContact O-OG 3.31Å
42	L	59.9	Low	60.2	Low	115 Å²	115	109.8 Å²	109.8	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-65	-40.4	171.4	-110.4	97	0	0	0	111.7	T38 S45 L46	T38-L42 PolarHBondContact O-N 3.23Å; T38-L42 VanDerWaalsContact O-N 3.09Å; L42-S45 PolarHBondContact O-N 2.99Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 3.39Å
43	S	55.5	Low	57.9	Low	60 Å²	60	106.8 Å²	106.8	42%	0.42	62%	0.619	S	S	.	*	H	α-helix	trans	-64.8	-40.5	179.2	-53	0	0	0	0	112.4	S39 L40 L46 R47	S39-S43 WeakPolarHBondContact O-CB 3.49Å; S39-S43 PolarHBondContact O-N 2.9Å; S39-S43 PolarHBondContact O-OG 2.82Å; L40-S43 WeakPolarHBondContact O-CB 3.33Å; L40-S43 PolarHBondContact O-N 3.18Å; S43-L46 PolarHBondContact O-N 2.69Å; S43-R47 PolarHBondContact O-N 3.33Å
44	V	58.3	Low	55.7	Low	90 Å²	90	115.4 Å²	115.4	55%	0.545	64%	0.642	S	S	.	*	H	α-helix	trans	-71.7	-37.7	177.3	173.1	0	0	0	0	111.1	L40 L46 R47 G48	L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 2.98Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 PolarHBondContact O-N 3.26Å; V44-R47 PolarHBondContact O-N 3.5Å; V44-G48 PolarHBondContact O-N 2.65Å
45	S	54.7	Low	53.3	Low	97 Å²	97	118.4 Å²	118.4	68%	0.678	66%	0.658	S	S	*	*	H	α-helix	trans	-67.9	-28.4	175.7	-59.3	0	0	0	0	113	F41 L42	F41-S45 WeakPolarHBondContact O-CB 3.48Å; F41-S45 PolarHBondContact O-N 3.16Å; F41-S45 PolarHBondContact O-OG 3.31Å; L42-S45 PolarHBondContact O-N 2.99Å
46	L	52	Low	51.3	Low	145 Å²	145	122.2 Å²	122.2	76%	0.759	67%	0.669	S	S	*	*	H	α-helix	trans	-85.6	-13.1	176.1	-76.2	162.4	0	0	0	113.9	L42 S43 V44	L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 3.39Å; S43-L46 PolarHBondContact O-N 2.69Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 PolarHBondContact O-N 3.26Å
47	R	50.7	Low	49.6	Very low	239 Å²	239	120.5 Å²	120.5	90%	0.902	67%	0.673	S	S	*	*	H	α-helix	trans	-122.3	1.1	-178.4	-79.1	-171.3	172.9	-164.6	-1.2	115.7	S43 V44	S43-R47 PolarHBondContact O-N 3.33Å; V44-R47 PolarHBondContact O-N 3.5Å
48	G	35.6	Very low	48.2	Very low	51 Å²	51	121.9 Å²	121.9	53%	0.526	69%	0.687	S	S	.	*			trans	-126.3	65.3	-172.3	0	0	0	0	0	114.8	V44 V50	V44-G48 PolarHBondContact O-N 2.65Å; G48-V50 PolarHBondContact O-N 2.74Å
49	G	34	Very low	46	Very low	82 Å²	82	121.4 Å²	121.4	85%	0.845	70%	0.698	S	S	*	*			trans	-81.4	104.6	160	0	0	0	0	0	109.6	S51	G49-S51 PolarHBondContact O-N 3Å
50	V	35.3	Very low	43.9	Very low	122 Å²	122	129.3 Å²	129.3	74%	0.739	72%	0.717	S	S	*	*			trans	-66.3	123.4	174.6	179.1	0	0	0	0	109.2	G48 F52	G48-V50 PolarHBondContact O-N 2.74Å; V50-F52 HydrophobicContact CG1-CD2 4.24Å; V50-F52 HydrophobicContact CG1-CE2 4.27Å
51	S	37.2	Very low	42.1	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	74%	0.737	S	S	*	*			trans	-67.2	123.6	172.3	-176.3	0	0	0	0	110.4	G49	G49-S51 PolarHBondContact O-N 3Å
52	F	31.3	Very low	40.6	Very low	194 Å²	194	134.3 Å²	134.3	85%	0.851	74%	0.74	S	S	*	*			trans	-121.3	111.2	159.6	-98.4	-86.5	0	0	0	107.8	V50	V50-F52 HydrophobicContact CG1-CD2 4.24Å; V50-F52 HydrophobicContact CG1-CE2 4.27Å
53	G	34.1	Very low	39.6	Very low	54 Å²	54	133 Å²	133	56%	0.557	74%	0.74	S	S	*	*			trans	-77	176.4	168.1	0	0	0	0	0	112.1
54	Y	33.9	Very low	38.4	Very low	231 Å²	231	141.7 Å²	141.7	91%	0.906	76%	0.764	S	S	*	*			trans	92.3	90.1	179.1	-63.8	-84.3	0	0	0	115.5
55	L	30.4	Very low	37.3	Very low	179 Å²	179	149.1 Å²	149.1	94%	0.937	78%	0.782	S	S	*	*				-172.9	99.7	113.1	-90.5	168.9	0	0	0	109.8
56	E	38.6	Very low	36.4	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	79%	0.788	S	S	*	*			trans	-120.4	159.5	143.2	-107	-161.8	144.4	0	0	105.4
57	P	44.6	Very low	35.5	Very low	111 Å²	111	153.1 Å²	153.1	72%	0.721	79%	0.792	S	S	*	*			cis	-152.4	-152.1	38.7	43.6	-20.4	0	0	0	113
58	P	47.2	Very low	35	Very low	116 Å²	116	149.5 Å²	149.5	75%	0.753	79%	0.789	S	S	*	*			cis	-128	154.7	-22.8	24.2	-2.5	0	0	0	115.5
59	G	27.3	Very low	35.1	Very low	67 Å²	67	153.1 Å²	153.1	69%	0.691	80%	0.801	S	S	*	*				86.2	109.1	114.2	0	0	0	0	0	119.5
60	W	27.8	Very low	35.4	Very low	235 Å²	235	154.1 Å²	154.1	89%	0.89	79%	0.793	S	S	*	*				-166.8	122.2	108.7	55	-83.2	0	0	0	109.9	E62	W60-E62 HydrophobicContact CE3-CB 4.38Å
61	E	32.3	Very low	35.6	Very low	191 Å²	191	153.8 Å²	153.8	89%	0.893	80%	0.796	S	S	*	*			trans	-107.1	113.8	175.3	-168.7	157.5	-158.5	0	0	106.5
62	E	31	Very low	35.6	Very low	152 Å²	152	159.3 Å²	159.3	71%	0.71	80%	0.801	S	S	*	*			trans	-127.8	86.6	170.6	-158.9	74.5	-117.4	0	0	108.1	W60	W60-E62 HydrophobicContact CE3-CB 4.38Å
63	S	39	Very low	36	Very low	87 Å²	87	156.6 Å²	156.6	61%	0.608	80%	0.8	S	S	*	*			trans	30.4	110.6	136.8	62.3	0	0	0	0	118.1
64	R	32.2	Very low	36.6	Very low	244 Å²	244	157.6 Å²	157.6	92%	0.921	81%	0.81	S	S	*	*			trans	-134.3	112	150.4	-120.8	179.8	-80.1	-174.6	-2.9	111.9
65	R	34.3	Very low	36.7	Very low	246 Å²	246	151.1 Å²	151.1	93%	0.928	81%	0.805	S	S	*	*			trans	-54.3	132.4	179.9	-65.8	177.6	-176.4	168.1	1	111.8	K67	R65-K67 PolarHBondContact O-N 3.09Å
66	V	35.2	Very low	37.2	Very low	132 Å²	132	151.7 Å²	151.7	80%	0.8	80%	0.802	S	S	*	*			trans	-63.6	121.6	162	178.4	0	0	0	0	108.5
67	K	33.4	Very low	37.2	Very low	193 Å²	193	154.9 Å²	154.9	84%	0.839	81%	0.807	S	S	*	*			trans	-91.8	104.6	167.3	-116.1	-178.8	179.6	-179.8	0	107.9	R65 V69	R65-K67 PolarHBondContact O-N 3.09Å; K67-V69 PolarHBondContact O-N 2.86Å
68	L	40.5	Very low	37	Very low	163 Å²	163	157.3 Å²	157.3	85%	0.853	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.2	161.2	-71.5	160.7	0	0	0	107.6
69	V	37.3	Very low	36.6	Very low	128 Å²	128	157 Å²	157	78%	0.776	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-95.5	131.5	173	-173.8	0	0	0	0	108.2	K67	K67-V69 PolarHBondContact O-N 2.86Å
70	P	40.9	Very low	37.4	Very low	103 Å²	103	159 Å²	159	67%	0.669	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.9	144.7	178.3	-14.5	28.7	0	0	0	112.1	Y72	P70-Y72 PolarHBondContact O-N 3.02Å
71	S	39.6	Very low	38.2	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-59	127.7	165.9	51.3	0	0	0	0	110.5
72	Y	37.3	Very low	38.8	Very low	228 Å²	228	153.6 Å²	153.6	89%	0.894	81%	0.809	S	S	*	*			trans	-115	120.4	161.7	-107.2	-87.4	0	0	0	109.5	P70	P70-Y72 PolarHBondContact O-N 3.02Å
73	V	40.2	Very low	39.6	Very low	136 Å²	136	152.1 Å²	152.1	82%	0.824	81%	0.811	S	S	*	*			trans	-70	135	172.4	175.1	0	0	0	0	109.2
74	G	45.8	Very low	40.4	Very low	75 Å²	75	153.7 Å²	153.7	77%	0.773	82%	0.819	S	S	*	*			trans	67.9	87.9	148.3	0	0	0	0	0	118.1
75	A	36.2	Very low	41.9	Very low	96 Å²	96	148.7 Å²	148.7	79%	0.793	81%	0.806	S	S	*	*			trans	-130.7	109.7	148.8	0	0	0	0	0	108	R77	A75-R77 PolarHBondContact O-N 3.48Å
76	H	40.1	Very low	43.8	Very low	190 Å²	190	145 Å²	145	88%	0.88	80%	0.799	S	S	*	*			trans	-56.3	108.7	166.8	-79.2	-85.4	0	0	0	108	L78	H76-L78 PolarHBondContact O-N 2.92Å
77	R	38.8	Very low	46.3	Very low	244 Å²	244	143.5 Å²	143.5	92%	0.921	78%	0.782	S	S	*	*			trans	-65.3	105.6	163.4	-97.6	-176.1	176.7	-180	-0.8	106.7	A75 S79	A75-R77 PolarHBondContact O-N 3.48Å; R77-S79 PolarHBondContact O-N 2.83Å
78	L	41.7	Very low	49.1	Very low	162 Å²	162	135.6 Å²	135.6	85%	0.848	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-56.1	121	155.5	-74.7	159.1	0	0	0	106.8	H76	H76-L78 PolarHBondContact O-N 2.92Å
79	S	38.5	Very low	51.7	Low	109 Å²	109	127.9 Å²	127.9	76%	0.762	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-52.8	128.6	172	-51.9	0	0	0	0	108.7	R77	R77-S79 PolarHBondContact O-N 2.83Å
80	P	43.8	Very low	54.5	Low	110 Å²	110	124.6 Å²	124.6	71%	0.714	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.9	149.2	169	19.9	-20.1	0	0	0	108.7	E82	P80-E82 PolarHBondContact O-N 3.39Å
81	P	43.4	Very low	57.1	Low	119 Å²	119	119.8 Å²	119.8	77%	0.773	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.6	138.1	175.6	23.9	-31.7	0	0	0	108.9	T83	P81-T83 VanDerWaalsContact C-N 3.35Å; P81-T83 PolarHBondContact O-N 3.32Å
82	E	44.8	Very low	59.6	Low	194 Å²	194	121.6 Å²	121.6	91%	0.907	67%	0.665	S	S	*	*			trans	-48.7	95.2	178.9	-69.2	175.9	161.6	0	0	110.2	P80	P80-E82 PolarHBondContact O-N 3.39Å
83	T	49.3	Very low	62.1	Low	121 Å²	121	113.4 Å²	113.4	74%	0.742	64%	0.641	S	S	*	*			trans	-59.5	126.5	161.5	26	0	0	0	0	106.1	P81 Q85	P81-T83 VanDerWaalsContact C-N 3.35Å; P81-T83 PolarHBondContact O-N 3.32Å; T83-Q85 PolarHBondContact O-N 2.95Å
84	P	55	Low	64.7	Low	119 Å²	119	106.9 Å²	106.9	77%	0.773	60%	0.602	S	S	*	*			trans	-51.5	119.6	175.9	-22.1	30.6	0	0	0	107.9	Q86	P84-Q86 PolarHBondContact O-N 3.34Å
85	Q	64.4	Low	67.1	Low	139 Å²	139	103.4 Å²	103.4	65%	0.65	57%	0.566	S	S	*	*			trans	-51.2	114.3	176.1	-87.4	167.6	-25.3	0	0	107.4	T83 K87	T83-Q85 PolarHBondContact O-N 2.95Å; Q85-K87 PolarHBondContact O-N 3.06Å
86	Q	73.6	Confident	69.8	Low	168 Å²	168	99.6 Å²	99.6	79%	0.785	54%	0.535	S	S	*	.			trans	-69.5	104.4	-175.5	-169.3	168.6	-0.4	0	0	107.2	P84 T88	P84-Q86 PolarHBondContact O-N 3.34Å; Q86-T88 PolarHBondContact O-N 2.93Å
87	K	87.8	Confident	72.3	Confident	102 Å²	102	91.8 Å²	91.8	44%	0.443	50%	0.5	S	S	.	.			trans	-57.1	138.6	177.9	-76.3	-162.9	167.4	-160.5	0	110.4	Q85 C89 C91 N92 D97	Q85-K87 PolarHBondContact O-N 3.06Å; K87-C89 VanDerWaalsContact C-N 3.35Å; K87-C91 PolarHBondContact NZ-O 3.31Å; K87-N92 PolarHBondContact NZ-O 2.8Å; K87-N92 VanDerWaalsContact NZ-O 3.15Å; K87-D97 WeakPolarHBondContact CA-OD1 3.42Å
88	T	92.7	Very high	74.8	Confident	26 Å²	26	83.8 Å²	83.8	16%	0.16	48%	0.48	C	S	.	.	S	Bend	trans	-82.3	-15.2	177.7	53.4	0	0	0	0	113	Q86 C94 G96 D97 D164	Q86-T88 PolarHBondContact O-N 2.93Å; T88-C94 WeakPolarHBondContact OG1-CB 3.22Å; T88-G96 WeakPolarHBondContact CG2-O 3.35Å; T88-D97 WeakPolarHBondContact CB-OD1 3.3Å; T88-D97 PolarHBondContact N-OD1 3.2Å; T88-D97 PolarHBondContact OG1-N 2.83Å; T88-D97 PolarHBondContact OG1-OD1 2.71Å; T88-D164 CarbonylContact O-C 3.56Å; T88-D164 PolarHBondContact O-N 3.49Å
89	C	95.2	Very high	77.1	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.014	46%	0.463	C	S	.	.	S	Bend	trans	-153.5	173.4	-177.2	87.5	0	0	0	0	112.7	K87 C91 C94 P165 R167 D311	K87-C89 VanDerWaalsContact C-N 3.35Å; C89-C91 WeakPolarHBondContact SG-CB 3.2Å; C89-C91 PolarHBondContact SG-N 2.89Å; C89-C91 VanDerWaalsContact SG-SG 3.69Å; C89-C94 VanDerWaalsContact C-SG 3.51Å; C89-C94 WeakPolarHBondContact CA-SG 3.31Å; C89-C94 HydrophobicContact CB-CB 3.92Å; C89-C94 WeakPolarHBondContact CB-SG 3.42Å; C89-C94 PolarHBondContact N-SG 3.43Å; C89-C94 PolarHBondContact O-SG 3.4Å; C89-C94 WeakPolarHBondContact SG-CB 3.34Å; C89-C94 CovalentContact SG-SG 2.02Å; C89-C94 PolarHBondContact SG-SG 3.22Å; C89-P165 CarbonylContact C-O 3.48Å; C89-R167 WeakPolarHBondContact CB-O 3.44Å; C89-D311 HydrophobicContact CB-CB 3.75Å
90	A	96.1	Very high	79.6	Confident	58 Å²	58	77.2 Å²	77.2	48%	0.479	45%	0.451	S	S	.	.	S	Bend	trans	-89.3	-0.6	177.1	0	0	0	0	0	114.3	P165 R167 C168	A90-P165 PolarHBondContact N-O 2.78Å; A90-R167 PolarHBondContact N-O 3.45Å; A90-C168 HydrophobicContact CB-CB 4.27Å
91	C	95.5	Very high	82	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.02	43%	0.426	C	S	.	.	S	Bend	trans	-69	165.9	176.8	-56.5	0	0	0	0	112.1	K87 C89 S93 C168 D311 E312	K87-C91 PolarHBondContact NZ-O 3.31Å; C89-C91 WeakPolarHBondContact SG-CB 3.2Å; C89-C91 PolarHBondContact SG-N 2.89Å; C89-C91 VanDerWaalsContact SG-SG 3.69Å; C91-S93 VanDerWaalsContact C-N 3.29Å; C91-S93 WeakPolarHBondContact CB-O 3.43Å; C91-S93 PolarHBondContact O-N 3.36Å; C91-C168 WeakPolarHBondContact CA-SG 3.37Å; C91-C168 HydrophobicContact CB-CB 4.07Å; C91-C168 WeakPolarHBondContact CB-SG 3.45Å; C91-C168 WeakPolarHBondContact SG-CA 3.34Å; C91-C168 WeakPolarHBondContact SG-CB 3.38Å; C91-C168 CovalentContact SG-SG 2.04Å; C91-C168 PolarHBondContact SG-SG 3.47Å; C91-D311 VanDerWaalsContact SG-CB 3.57Å; C91-E312 HydrophobicContact CB-CB 4.47Å
92	N	91.3	Very high	84.5	Confident	152 Å²	152	73.2 Å²	73.2	81%	0.813	42%	0.42	S	S	*	.	S	Bend	trans	-59.3	-44.2	174.7	-72	-21.6	0	0	0	111.2	K87	K87-N92 PolarHBondContact NZ-O 2.8Å; K87-N92 VanDerWaalsContact NZ-O 3.15Å
93	S	90.8	Very high	87	Confident	56 Å²	56	66.3 Å²	66.3	39%	0.392	39%	0.385	S	S	.	.	S	Bend	trans	-130.8	136.1	171.1	-178.1	0	0	0	0	108.7	C91 G361	C91-S93 VanDerWaalsContact C-N 3.29Å; C91-S93 WeakPolarHBondContact CB-O 3.43Å; C91-S93 PolarHBondContact O-N 3.36Å; S93-G361 PolarHBondContact OG-O 3.24Å
94	C	94.7	Very high	89.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.35	C	S	.	.			trans	-110.4	137	178.7	-51.8	0	0	0	0	110.4	T88 C89 G96 D97 D311	T88-C94 WeakPolarHBondContact OG1-CB 3.22Å; C89-C94 VanDerWaalsContact C-SG 3.51Å; C89-C94 WeakPolarHBondContact CA-SG 3.31Å; C89-C94 HydrophobicContact CB-CB 3.92Å; C89-C94 WeakPolarHBondContact CB-SG 3.42Å; C89-C94 PolarHBondContact N-SG 3.43Å; C89-C94 PolarHBondContact O-SG 3.4Å; C89-C94 WeakPolarHBondContact SG-CB 3.34Å; C89-C94 CovalentContact SG-SG 2.02Å; C89-C94 PolarHBondContact SG-SG 3.22Å; C94-G96 PolarHBondContact O-N 3.05Å; C94-D97 HydrophobicContact CB-CB 4.42Å; C94-D97 WeakPolarHBondContact CB-OD1 3.48Å; C94-D97 PolarHBondContact O-N 3.45Å; C94-D311 WeakPolarHBondContact CA-O 3.42Å
95	V	95.6	Very high	91.3	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.3	175.3	175.4	0	0	0	0	111.4	D97 F104 Y108 W163 L307 D311 V313 K362	V95-D97 VanDerWaalsContact C-N 3.32Å; V95-D97 PolarHBondContact O-N 2.94Å; V95-F104 HydrophobicContact CG1-CZ 3.96Å; V95-Y108 HydrophobicContact CG1-CE2 4.43Å; V95-W163 HydrophobicContact CB-CH2 4.13Å; V95-L307 HydrophobicContact CB-CD2 4.45Å; V95-L307 HydrophobicContact CG1-CB 4.07Å; V95-L307 HydrophobicContact CG1-CD2 3.65Å; V95-L307 HydrophobicContact CG1-CG 4.48Å; V95-L307 WeakPolarHBondContact CG1-O 3.38Å; V95-L307 HydrophobicContact CG2-CD2 3.85Å; V95-D311 PolarHBondContact N-O 3.46Å; V95-V313 HydrophobicContact CG2-CG2 4.07Å; V95-K362 WeakPolarHBondContact O-CD 3.46Å; V95-K362 PolarHBondContact O-NZ 3.09Å
96	G	92.3	Very high	92.9	Very high	15 Å²	15	57.9 Å²	57.9	16%	0.155	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.4	-177.1	0	0	0	0	0	116	T88 C94 P98	T88-G96 WeakPolarHBondContact CG2-O 3.35Å; C94-G96 PolarHBondContact O-N 3.05Å; G96-P98 WeakPolarHBondContact O-CD 3.22Å
97	D	92.5	Very high	94	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.139	30%	0.295	C	S	.	.			trans	-69.6	119.4	-174.9	-72.8	-6	0	0	0	111.4	K87 T88 C94 V95 K362	K87-D97 WeakPolarHBondContact CA-OD1 3.42Å; T88-D97 WeakPolarHBondContact CB-OD1 3.3Å; T88-D97 PolarHBondContact N-OD1 3.2Å; T88-D97 PolarHBondContact OG1-N 2.83Å; T88-D97 PolarHBondContact OG1-OD1 2.71Å; C94-D97 HydrophobicContact CB-CB 4.42Å; C94-D97 WeakPolarHBondContact CB-OD1 3.48Å; C94-D97 PolarHBondContact O-N 3.45Å; V95-D97 VanDerWaalsContact C-N 3.32Å; V95-D97 PolarHBondContact O-N 2.94Å; D97-K362 PolarHBondContact O-NZ 2.92Å
98	P	91.7	Very high	94.5	Very high	76 Å²	76	47.2 Å²	47.2	49%	0.494	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	164.2	179.5	33.1	-35.8	0	0	0	112	G96 V100	G96-P98 WeakPolarHBondContact O-CD 3.22Å; P98-V100 VanDerWaalsContact C-N 3.35Å
99	G	90.3	Very high	94.7	Very high	49 Å²	49	49 Å²	49	51%	0.505	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	7.9	172.1	0	0	0	0	0	114.8	D105	G99-D105 WeakPolarHBondContact CA-OD2 3.41Å; G99-D105 PolarHBondContact N-OD2 2.79Å
100	V	89.8	Confident	94.6	Very high	84 Å²	84	52.4 Å²	52.4	51%	0.509	31%	0.31	S	S	.	.	S	Bend	trans	-87.4	-33.5	173.8	-175.3	0	0	0	0	111	P98 A360	P98-V100 VanDerWaalsContact C-N 3.35Å; V100-A360 VanDerWaalsContact CG1-O 3.22Å; V100-A360 WeakPolarHBondContact CG1-O 3.47Å
101	S	95.4	Very high	94.5	Very high	25 Å²	25	56.8 Å²	56.8	18%	0.175	33%	0.326	C	S	.	.			trans	-154.6	113.1	-179.8	179.3	0	0	0	0	110.9	W103 F104 D105	S101-W103 PolarHBondContact O-N 2.84Å; S101-F104 WeakPolarHBondContact O-CA 3.16Å; S101-F104 WeakPolarHBondContact O-CB 3.38Å; S101-F104 PolarHBondContact O-N 2.65Å; S101-F104 PolarHBondContact OG-N 3.05Å; S101-D105 VanDerWaalsContact O-CG 3.31Å; S101-D105 PolarHBondContact O-N 2.81Å
102	D	96.6	Very high	94.6	Very high	121 Å²	121	58 Å²	58	65%	0.647	33%	0.332	S	S	*	.	H	α-helix	trans	-53.9	-40.6	175.3	-58.6	-22.7	0	0	0	111.6	F104 D105 E106	D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 3.37Å; D102-D105 PolarHBondContact O-N 3.33Å; D102-E106 VanDerWaalsContact O-CB 3.31Å; D102-E106 WeakPolarHBondContact O-CB 3.15Å; D102-E106 VanDerWaalsContact O-CG 3.23Å; D102-E106 WeakPolarHBondContact O-CG 3.5Å; D102-E106 PolarHBondContact O-N 2.81Å
103	W	97.1	Very high	94.8	Very high	49 Å²	49	52.3 Å²	52.3	19%	0.186	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-40.6	175.2	169.2	78.5	0	0	0	112.6	S101 N107 W288 I353 Q356 L357	S101-W103 PolarHBondContact O-N 2.84Å; W103-N107 PolarHBondContact O-ND2 3.28Å; W103-W288 HydrophobicContact CH2-CE3 4Å; W103-W288 AromaticContact CH2-CZ3 3.63Å; W103-W288 HydrophobicContact CH2-CZ3 3.63Å; W103-W288 AromaticContact CZ2-CE3 3.99Å; W103-W288 HydrophobicContact CZ2-CE3 3.99Å; W103-W288 AromaticContact CZ2-CZ3 3.92Å; W103-W288 HydrophobicContact CZ2-CZ3 3.92Å; W103-W288 HydrophobicContact CZ3-CZ3 4.02Å; W103-I353 HydrophobicContact CH2-CG2 4.36Å; W103-Q356 HydrophobicContact CE3-CB 4.26Å; W103-Q356 HydrophobicContact CH2-CB 3.66Å; W103-Q356 HydrophobicContact CZ2-CB 4.06Å; W103-Q356 HydrophobicContact CZ3-CB 3.77Å; W103-L357 HydrophobicContact CH2-CD2 4.08Å; W103-L357 HydrophobicContact CH2-CG 4.06Å; W103-L357 HydrophobicContact CZ3-CD2 3.99Å; W103-L357 HydrophobicContact CZ3-CG 4.25Å
104	F	97.8	Very high	95.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-71.1	-48.6	176.6	-175.2	-91.6	0	0	0	110.4	V95 S101 D102 E106 N107 Y108 W288 L357 K362	V95-F104 HydrophobicContact CG1-CZ 3.96Å; S101-F104 WeakPolarHBondContact O-CA 3.16Å; S101-F104 WeakPolarHBondContact O-CB 3.38Å; S101-F104 PolarHBondContact O-N 2.65Å; S101-F104 PolarHBondContact OG-N 3.05Å; D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 3.37Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 2.97Å; F104-N107 PolarHBondContact O-N 2Å; F104-Y108 HydrophobicContact CD1-CG 4.22Å; F104-Y108 AromaticContact CE1-CD1 3.98Å; F104-Y108 HydrophobicContact CE1-CD1 3.98Å; F104-Y108 AromaticContact CE1-CD2 3.61Å; F104-Y108 HydrophobicContact CE1-CD2 3.61Å; F104-Y108 HydrophobicContact CE1-CE2 4.27Å; F104-Y108 AromaticContact CE1-CG 3.42Å; F104-Y108 HydrophobicContact CE1-CG 3.42Å; F104-Y108 VanDerWaalsContact CE1-CG 3.42Å; F104-Y108 HydrophobicContact CE2-CD2 4.07Å; F104-Y108 HydrophobicContact CZ-CD1 4.44Å; F104-Y108 AromaticContact CZ-CD2 3.27Å; F104-Y108 HydrophobicContact CZ-CD2 3.27Å; F104-Y108 AromaticContact CZ-CE2 3.78Å; F104-Y108 HydrophobicContact CZ-CE2 3.78Å; F104-Y108 AromaticContact CZ-CG 3.65Å; F104-Y108 HydrophobicContact CZ-CG 3.65Å; F104-Y108 VanDerWaalsContact O-CB 3.25Å; F104-Y108 WeakPolarHBondContact O-CB 3.33Å; F104-Y108 PolarHBondContact O-N 2.8Å; F104-W288 AromaticContact CD2-CH2 3.45Å; F104-W288 HydrophobicContact CD2-CH2 3.45Å; F104-W288 VanDerWaalsContact CD2-CH2 3.45Å; F104-W288 AromaticContact CD2-CZ3 3.97Å; F104-W288 HydrophobicContact CD2-CZ3 3.97Å; F104-W288 AromaticContact CE2-CH2 3.63Å; F104-W288 HydrophobicContact CE2-CH2 3.63Å; F104-W288 HydrophobicContact CE2-CZ2 4.41Å; F104-W288 HydrophobicContact CE2-CZ3 4.36Å; F104-W288 HydrophobicContact CG-CH2 4.14Å; F104-W288 HydrophobicContact CZ-CH2 4.44Å; F104-L357 HydrophobicContact CD2-CD2 3.74Å; F104-L357 HydrophobicContact CE2-CD2 3.73Å; F104-K362 HydrophobicContact CD1-CD 4.03Å; F104-K362 VanDerWaalsContact CD1-CE 3.45Å; F104-K362 HydrophobicContact CD1-CG 4.28Å; F104-K362 HydrophobicContact CD2-CB 4.3Å; F104-K362 HydrophobicContact CD2-CD 4.24Å; F104-K362 HydrophobicContact CD2-CG 3.66Å; F104-K362 HydrophobicContact CE1-CD 3.88Å; F104-K362 HydrophobicContact CE1-CG 4.36Å; F104-K362 HydrophobicContact CE2-CB 4.06Å; F104-K362 HydrophobicContact CE2-CD 4.1Å; F104-K362 HydrophobicContact CE2-CG 3.75Å; F104-K362 HydrophobicContact CG-CD 4.19Å; F104-K362 HydrophobicContact CG-CG 3.92Å; F104-K362 HydrophobicContact CZ-CD 3.91Å; F104-K362 HydrophobicContact CZ-CG 4.1Å
105	D	96.7	Very high	95.3	Very high	55 Å²	55	50.3 Å²	50.3	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-34.6	-174.2	-62.3	-15.9	0	0	0	112.4	G99 S101 D102 N107	G99-D105 WeakPolarHBondContact CA-OD2 3.41Å; G99-D105 PolarHBondContact N-OD2 2.79Å; S101-D105 VanDerWaalsContact O-CG 3.31Å; S101-D105 PolarHBondContact O-N 2.81Å; D102-D105 PolarHBondContact O-N 3.33Å; D105-N107 VanDerWaalsContact C-N 3.28Å; D105-N107 PolarHBondContact O-N 2.83Å
106	E	96.8	Very high	95.4	Very high	144 Å²	144	50.4 Å²	50.4	67%	0.673	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.4	174.9	-75.6	176.3	177.7	0	0	113.7	D102 F104	D102-E106 VanDerWaalsContact O-CB 3.31Å; D102-E106 WeakPolarHBondContact O-CB 3.15Å; D102-E106 VanDerWaalsContact O-CG 3.23Å; D102-E106 WeakPolarHBondContact O-CG 3.5Å; D102-E106 PolarHBondContact O-N 2.81Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 2.97Å
107	N	97.6	Very high	95.6	Very high	16 Å²	16	50.1 Å²	50.1	9%	0.086	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-23.9	-175	-69.3	-75.6	0	0	0	112.9	W103 F104 D105 Y283 R287 W288	W103-N107 PolarHBondContact O-ND2 3.28Å; F104-N107 PolarHBondContact O-N 2Å; D105-N107 VanDerWaalsContact C-N 3.28Å; D105-N107 PolarHBondContact O-N 2.83Å; N107-Y283 WeakPolarHBondContact O-CE2 3.4Å; N107-Y283 PolarHBondContact O-OH 3.03Å; N107-R287 HydrophobicContact CB-CB 4.45Å; N107-R287 PolarHBondContact OD1-O 3.35Å; N107-R287 VanDerWaalsContact OD1-O 3.1Å; N107-W288 HydrophobicContact CB-CD2 4.23Å; N107-W288 HydrophobicContact CB-CE3 4.28Å; N107-W288 HydrophobicContact CB-CH2 3.91Å; N107-W288 HydrophobicContact CB-CZ2 3.86Å; N107-W288 HydrophobicContact CB-CZ3 4.12Å
108	Y	97.6	Very high	95.7	Very high	30 Å²	30	54.4 Å²	54.4	12%	0.118	30%	0.299	C	S	.	.			trans	-78.9	122.2	-178	-167.7	-101.4	0	0	0	112	V95 F104 P110 W163 Y283 W288 L307 H308	V95-Y108 HydrophobicContact CG1-CE2 4.43Å; F104-Y108 HydrophobicContact CD1-CG 4.22Å; F104-Y108 AromaticContact CE1-CD1 3.98Å; F104-Y108 HydrophobicContact CE1-CD1 3.98Å; F104-Y108 AromaticContact CE1-CD2 3.61Å; F104-Y108 HydrophobicContact CE1-CD2 3.61Å; F104-Y108 HydrophobicContact CE1-CE2 4.27Å; F104-Y108 AromaticContact CE1-CG 3.42Å; F104-Y108 HydrophobicContact CE1-CG 3.42Å; F104-Y108 VanDerWaalsContact CE1-CG 3.42Å; F104-Y108 HydrophobicContact CE2-CD2 4.07Å; F104-Y108 HydrophobicContact CZ-CD1 4.44Å; F104-Y108 AromaticContact CZ-CD2 3.27Å; F104-Y108 HydrophobicContact CZ-CD2 3.27Å; F104-Y108 AromaticContact CZ-CE2 3.78Å; F104-Y108 HydrophobicContact CZ-CE2 3.78Å; F104-Y108 AromaticContact CZ-CG 3.65Å; F104-Y108 HydrophobicContact CZ-CG 3.65Å; F104-Y108 VanDerWaalsContact O-CB 3.25Å; F104-Y108 WeakPolarHBondContact O-CB 3.33Å; F104-Y108 PolarHBondContact O-N 2.8Å; Y108-P110 HydrophobicContact CE1-CB 4Å; Y108-W163 WeakPolarHBondContact OH-CZ2 3.35Å; Y108-Y283 WeakPolarHBondContact CA-OH 3.24Å; Y108-W288 HydrophobicContact CD2-CZ2 4.11Å; Y108-L307 PolarHBondContact OH-O 3.48Å; Y108-H308 AromaticContact CD2-CE1 3.94Å; Y108-H308 AromaticContact CD2-NE2 3.94Å; Y108-H308 AromaticContact CE2-CD2 3.92Å; Y108-H308 AromaticContact CE2-CE1 3.46Å; Y108-H308 VanDerWaalsContact CE2-CE1 3.46Å; Y108-H308 WeakPolarHBondContact CE2-CE1 3.38Å; Y108-H308 AromaticContact CE2-ND1 3.88Å; Y108-H308 AromaticContact CE2-NE2 3.49Å; Y108-H308 WeakPolarHBondContact CE2-NE2 3.25Å
109	D	97.1	Very high	95.9	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.342	32%	0.316	S	S	.	.			trans	-111.2	107.6	174.9	-178	-11.3	0	0	0	107.7	D111 I112 Y283 H308	D109-D111 PolarHBondContact O-N 3.11Å; D109-D111 PolarHBondContact OD1-N 3.18Å; D109-I112 HydrophobicContact CB-CB 4.37Å; D109-I112 HydrophobicContact CB-CG2 4.08Å; D109-I112 WeakPolarHBondContact O-CG2 3.49Å; D109-I112 PolarHBondContact OD1-N 3.25Å; D109-Y283 HydrophobicContact CB-CD2 4.42Å; D109-Y283 HydrophobicContact CB-CE2 3.67Å; D109-Y283 PolarHBondContact N-OH 3.04Å; D109-H308 PolarHBondContact O-CD2 2.91Å; D109-H308 PolarHBondContact O-NE2 3.47Å
110	P	94.3	Very high	96.1	Very high	73 Å²	73	58 Å²	58	47%	0.474	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.5	-177.9	29.4	-34.9	0	0	0	113.4	Y108	Y108-P110 HydrophobicContact CE1-CB 4Å
111	D	93.9	Very high	96.2	Very high	150 Å²	150	54.8 Å²	54.8	80%	0.802	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.9	-172.1	-66.2	-37.9	0	0	0	112.7	D109 S113	D109-D111 PolarHBondContact O-N 3.11Å; D109-D111 PolarHBondContact OD1-N 3.18Å; D111-S113 PolarHBondContact O-N 3.19Å
112	I	96.3	Very high	96.1	Very high	29 Å²	29	61.2 Å²	61.2	15%	0.149	31%	0.31	C	S	.	.			trans	-73.2	121.4	179.2	-164.5	170.5	0	0	0	111.8	D109 P114 F280 Y283	D109-I112 HydrophobicContact CB-CB 4.37Å; D109-I112 HydrophobicContact CB-CG2 4.08Å; D109-I112 WeakPolarHBondContact O-CG2 3.49Å; D109-I112 PolarHBondContact OD1-N 3.25Å; I112-P114 WeakPolarHBondContact O-CD 3.38Å; I112-F280 HydrophobicContact CB-CD2 4.43Å; I112-F280 HydrophobicContact CD1-CB 4.43Å; I112-F280 HydrophobicContact CD1-CD2 4.02Å; I112-F280 HydrophobicContact CG1-CD2 4.02Å; I112-F280 HydrophobicContact CG2-CD2 3.64Å; I112-F280 HydrophobicContact CG2-CE2 3.79Å; I112-Y283 HydrophobicContact CD1-CD1 3.89Å; I112-Y283 HydrophobicContact CD1-CD2 3.99Å; I112-Y283 HydrophobicContact CD1-CG 3.43Å; I112-Y283 VanDerWaalsContact CD1-CG 3.43Å; I112-Y283 HydrophobicContact CG2-CD1 4.05Å; I112-Y283 HydrophobicContact CG2-CE1 4.01Å; I112-Y283 HydrophobicContact CG2-CG 4.38Å
113	S	96.8	Very high	96	Very high	32 Å²	32	56.9 Å²	56.9	22%	0.224	29%	0.287	C	S	.	.			trans	-76.9	122.9	179.9	178.5	0	0	0	0	111.9	D111 V115 N120 N277	D111-S113 PolarHBondContact O-N 3.19Å; S113-V115 PolarHBondContact O-N 3.1Å; S113-V115 PolarHBondContact OG-N 3.28Å; S113-V115 PolarHBondContact OG-O 3.43Å; S113-N120 WeakPolarHBondContact CB-ND2 3.48Å; S113-N120 PolarHBondContact OG-ND2 3.39Å; S113-N277 WeakPolarHBondContact O-CB 3.47Å; S113-N277 PolarHBondContact O-ND2 2.93Å
114	P	97.9	Very high	95.9	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.071	30%	0.298	C	S	.	.	S	Bend	trans	-73.3	-16	177	30.6	-35.5	0	0	0	113.4	I112 N277 F280 F305 H308 V309	I112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-N277 WeakPolarHBondContact O-CB 3.44Å; P114-N277 PolarHBondContact O-N 3.11Å; P114-F280 HydrophobicContact CB-CD1 3.69Å; P114-F280 HydrophobicContact CB-CD2 4.45Å; P114-F280 HydrophobicContact CB-CE1 3.69Å; P114-F280 HydrophobicContact CB-CE2 4.44Å; P114-F280 HydrophobicContact CB-CG 4.1Å; P114-F280 HydrophobicContact CB-CZ 4.08Å; P114-F305 HydrophobicContact CB-CD2 3.62Å; P114-F305 HydrophobicContact CB-CE2 3.85Å; P114-F305 HydrophobicContact CB-CG 4.31Å; P114-F305 HydrophobicContact CG-CD2 4.39Å; P114-F305 HydrophobicContact CG-CE2 4.29Å; P114-H308 HydrophobicContact CG-CB 4.48Å; P114-V309 HydrophobicContact CG-CG1 3.75Å
115	V	98	Very high	95.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.7	-179	-68	0	0	0	0	112.4	S113 T117 N120 Y160 Q274 I275 F305	S113-V115 PolarHBondContact O-N 3.1Å; S113-V115 PolarHBondContact OG-N 3.28Å; S113-V115 PolarHBondContact OG-O 3.43Å; V115-T117 HydrophobicContact CG2-CG2 4.08Å; V115-N120 PolarHBondContact O-ND2 3.23Å; V115-Y160 HydrophobicContact CG1-CD2 4.42Å; V115-Y160 HydrophobicContact CG1-CE2 3.96Å; V115-Q274 HydrophobicContact CG1-CB 4.39Å; V115-I275 CarbonylContact C-O 3.59Å; V115-I275 WeakPolarHBondContact CA-O 3.47Å; V115-F305 HydrophobicContact CG1-CE2 3.78Å; V115-F305 HydrophobicContact CG1-CZ 4.05Å
116	W	96.4	Very high	95.8	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.5	174.1	-146	-9.3	0	0	0	109.4	N120 I121 L123 I143 L147 L243 I275 N277 P278	W116-N120 VanDerWaalsContact CD1-O 3.26Å; W116-N120 PolarHBondContact NE1-O 3.33Å; W116-I121 PolarHBondContact NE1-O 2.97Å; W116-L123 HydrophobicContact CH2-CD1 3.62Å; W116-L123 HydrophobicContact CH2-CD2 4.49Å; W116-L123 HydrophobicContact CH2-CG 4.1Å; W116-L123 HydrophobicContact CZ2-CD1 3.63Å; W116-L123 HydrophobicContact CZ2-CD2 3.85Å; W116-L123 HydrophobicContact CZ2-CG 3.55Å; W116-I143 HydrophobicContact CH2-CG2 3.58Å; W116-I143 HydrophobicContact CZ2-CG2 4.08Å; W116-I143 HydrophobicContact CZ3-CG2 4.42Å; W116-L147 HydrophobicContact CD2-CD1 3.77Å; W116-L147 HydrophobicContact CD2-CD2 4.18Å; W116-L147 HydrophobicContact CE3-CD1 4.01Å; W116-L147 HydrophobicContact CE3-CD2 3.97Å; W116-L147 HydrophobicContact CH2-CD1 3.6Å; W116-L147 HydrophobicContact CZ2-CD1 3.28Å; W116-L147 HydrophobicContact CZ3-CD1 3.94Å; W116-L147 HydrophobicContact CZ3-CD2 4.25Å; W116-L243 HydrophobicContact CZ3-CD1 3.95Å; W116-I275 HydrophobicContact CB-CB 4.07Å; W116-I275 HydrophobicContact CB-CG2 4.14Å; W116-I275 HydrophobicContact CE3-CG2 4.05Å; W116-I275 PolarHBondContact N-O 3.04Å; W116-N277 HydrophobicContact CB-CB 4.45Å; W116-P278 HydrophobicContact CE3-CG 3.76Å; W116-P278 HydrophobicContact CH2-CG 3.74Å; W116-P278 VanDerWaalsContact CZ3-CD 3.43Å; W116-P278 HydrophobicContact CZ3-CG 3.33Å
117	T	96.8	Very high	95.8	Very high	9 Å²	9	57 Å²	57	6%	0.055	31%	0.305	C	S	.	.			trans	-131.5	175.6	-172.4	68.9	0	0	0	0	109.8	V115 D119 N120 I121 F151 G156	V115-T117 HydrophobicContact CG2-CG2 4.08Å; T117-D119 PolarHBondContact O-N 2.75Å; T117-D119 PolarHBondContact OG1-N 3.26Å; T117-N120 WeakPolarHBondContact CA-OD1 3.2Å; T117-N120 PolarHBondContact N-OD1 2.85Å; T117-N120 PolarHBondContact O-OD1 3.38Å; T117-N120 VanDerWaalsContact OG1-CG 3.32Å; T117-N120 PolarHBondContact OG1-N 3.27Å; T117-N120 PolarHBondContact OG1-OD1 3.37Å; T117-I121 PolarHBondContact O-N 2.97Å; T117-F151 WeakPolarHBondContact O-CE2 3.38Å; T117-G156 WeakPolarHBondContact CA-O 3.07Å
118	R	95.7	Very high	95.7	Very high	116 Å²	116	59.9 Å²	59.9	44%	0.438	32%	0.315	S	S	.	.	S	Bend	trans	-62.9	-32.5	172.6	-67.5	-172.7	-165.9	78.1	1.8	112.4	F151 P155 G156	R118-F151 HydrophobicContact CG-CB 4.23Å; R118-F151 HydrophobicContact CG-CD2 3.66Å; R118-F151 HydrophobicContact CG-CE2 4.27Å; R118-F151 HydrophobicContact CG-CG 4.16Å; R118-F151 PolarHBondContact NH2-O 3.25Å; R118-P155 VanDerWaalsContact CZ-O 3.28Å; R118-P155 PolarHBondContact NH1-O 2.73Å; R118-P155 PolarHBondContact NH2-O 3.19Å; R118-G156 PolarHBondContact N-O 3.33Å; R118-G156 PolarHBondContact NH1-O 3.01Å
119	D	94.3	Very high	95.6	Very high	157 Å²	157	65.7 Å²	65.7	84%	0.84	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.1	-172.7	-54.8	-36.7	0	0	0	112.7	T117	T117-D119 PolarHBondContact O-N 2.75Å; T117-D119 PolarHBondContact OG1-N 3.26Å
120	N	94.9	Very high	95.5	Very high	43 Å²	43	64.7 Å²	64.7	23%	0.23	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	33.5	178.4	64.9	10.6	0	0	0	112.7	S113 V115 W116 T117 Q122	S113-N120 WeakPolarHBondContact CB-ND2 3.48Å; S113-N120 PolarHBondContact OG-ND2 3.39Å; V115-N120 PolarHBondContact O-ND2 3.23Å; W116-N120 VanDerWaalsContact CD1-O 3.26Å; W116-N120 PolarHBondContact NE1-O 3.33Å; T117-N120 WeakPolarHBondContact CA-OD1 3.2Å; T117-N120 PolarHBondContact N-OD1 2.85Å; T117-N120 PolarHBondContact O-OD1 3.38Å; T117-N120 VanDerWaalsContact OG1-CG 3.32Å; T117-N120 PolarHBondContact OG1-N 3.27Å; T117-N120 PolarHBondContact OG1-OD1 3.37Å; N120-Q122 PolarHBondContact O-N 2.86Å
121	I	92.1	Very high	95.6	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.092	31%	0.306	C	S	.	.			trans	-64	-27.2	-175.9	-134.8	166.7	0	0	0	113.3	W116 T117 Q144 L147 L148 F151	W116-I121 PolarHBondContact NE1-O 2.97Å; T117-I121 PolarHBondContact O-N 2.97Å; I121-Q144 HydrophobicContact CG2-CG 4.19Å; I121-L147 HydrophobicContact CD1-CB 3.74Å; I121-L147 HydrophobicContact CG1-CB 3.79Å; I121-L147 HydrophobicContact CG1-CD1 3.68Å; I121-L147 HydrophobicContact CG1-CG 4.39Å; I121-L148 HydrophobicContact CD1-CD2 3.84Å; I121-L148 HydrophobicContact CD1-CG 4.05Å; I121-F151 HydrophobicContact CD1-CD2 3.86Å; I121-F151 HydrophobicContact CD1-CE2 3.74Å; I121-F151 HydrophobicContact CG1-CE2 3.94Å
122	Q	93.4	Very high	95.5	Very high	159 Å²	159	55.8 Å²	55.8	74%	0.743	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-87.5	121	-177	-62.2	-179.3	42.7	0	0	109.8	N120	N120-Q122 PolarHBondContact O-N 2.86Å
123	L	94.1	Very high	95.4	Very high	31 Å²	31	60 Å²	60	16%	0.162	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88.3	141	172.3	-64.1	176.6	0	0	0	110.1	W116 V127 P278 A279	W116-L123 HydrophobicContact CH2-CD1 3.62Å; W116-L123 HydrophobicContact CH2-CD2 4.49Å; W116-L123 HydrophobicContact CH2-CG 4.1Å; W116-L123 HydrophobicContact CZ2-CD1 3.63Å; W116-L123 HydrophobicContact CZ2-CD2 3.85Å; W116-L123 HydrophobicContact CZ2-CG 3.55Å; L123-V127 HydrophobicContact CB-CB 4.44Å; L123-V127 HydrophobicContact CB-CG1 4.38Å; L123-V127 HydrophobicContact CD1-CG1 4.33Å; L123-V127 HydrophobicContact CD2-CG1 4.07Å; L123-V127 HydrophobicContact CG-CG1 4.49Å; L123-P278 HydrophobicContact CD1-CB 3.9Å; L123-P278 HydrophobicContact CD1-CG 4.18Å; L123-P278 HydrophobicContact CD2-CB 4.28Å; L123-A279 HydrophobicContact CD2-CB 4.12Å
124	P	95.6	Very high	95.2	Very high	64 Å²	64	58.7 Å²	58.7	42%	0.416	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-52.2	144.7	163.5	-26.3	35.7	0	0	0	111.1	D126 V127 Y128	P124-D126 VanDerWaalsContact C-N 3.29Å; P124-D126 VanDerWaalsContact CB-OD1 3.25Å; P124-D126 WeakPolarHBondContact CB-OD1 3.26Å; P124-D126 PolarHBondContact O-N 2.99Å; P124-V127 HydrophobicContact CB-CB 4.37Å; P124-V127 HydrophobicContact CB-CG2 3.95Å; P124-V127 HydrophobicContact CG-CG2 4.02Å; P124-V127 WeakPolarHBondContact O-CB 3.34Å; P124-V127 PolarHBondContact O-N 3.36Å; P124-V127 VanDerWaalsContact O-N 3.1Å; P124-Y128 PolarHBondContact O-N 3.21Å
125	P	95.8	Very high	94.8	Very high	92 Å²	92	59.8 Å²	59.8	60%	0.597	29%	0.294	S	S	*	.	H	α-helix	trans	-55.9	-40.2	-176.7	-28.6	35.6	0	0	0	113.9	V127 Y128 Y129	P125-V127 PolarHBondContact O-N 2.91Å; P125-Y128 PolarHBondContact O-N 2.82Å; P125-Y129 HydrophobicContact CB-CD2 4.34Å; P125-Y129 HydrophobicContact CB-CE2 4.08Å; P125-Y129 WeakPolarHBondContact O-CD2 3.31Å; P125-Y129 PolarHBondContact O-N 3.02Å
126	D	96.6	Very high	94.2	Very high	86 Å²	86	63.1 Å²	63.1	46%	0.46	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-40.3	178.4	72.2	-58.5	0	0	0	112	P124 W130 K282	P124-D126 VanDerWaalsContact C-N 3.29Å; P124-D126 VanDerWaalsContact CB-OD1 3.25Å; P124-D126 WeakPolarHBondContact CB-OD1 3.26Å; P124-D126 PolarHBondContact O-N 2.99Å; D126-W130 VanDerWaalsContact O-CB 3.25Å; D126-W130 WeakPolarHBondContact O-CB 2.95Å; D126-W130 PolarHBondContact O-N 3.38Å; D126-K282 IonicContact OD2-NZ 3.29Å; D126-K282 PolarHBondContact OD2-NZ 3.12Å
127	V	96.9	Very high	93.6	Very high	11 Å²	11	67 Å²	67	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-47.6	174.5	179.1	0	0	0	0	110.4	L123 P124 P125 W130 W131 P278 A279 K282	L123-V127 HydrophobicContact CB-CB 4.44Å; L123-V127 HydrophobicContact CB-CG1 4.38Å; L123-V127 HydrophobicContact CD1-CG1 4.33Å; L123-V127 HydrophobicContact CD2-CG1 4.07Å; L123-V127 HydrophobicContact CG-CG1 4.49Å; P124-V127 HydrophobicContact CB-CB 4.37Å; P124-V127 HydrophobicContact CB-CG2 3.95Å; P124-V127 HydrophobicContact CG-CG2 4.02Å; P124-V127 WeakPolarHBondContact O-CB 3.34Å; P124-V127 PolarHBondContact O-N 3.36Å; P124-V127 VanDerWaalsContact O-N 3.1Å; P125-V127 PolarHBondContact O-N 2.91Å; V127-W130 PolarHBondContact O-N 3.44Å; V127-W131 VanDerWaalsContact O-CB 3.26Å; V127-W131 WeakPolarHBondContact O-CB 2.93Å; V127-W131 PolarHBondContact O-N 2.78Å; V127-P278 HydrophobicContact CG1-CB 4.47Å; V127-A279 HydrophobicContact CG1-CB 4.14Å; V127-K282 HydrophobicContact CB-CD 4.21Å; V127-K282 HydrophobicContact CG1-CB 4.38Å; V127-K282 HydrophobicContact CG1-CD 4.46Å; V127-K282 HydrophobicContact CG2-CD 3.95Å
128	Y	95.2	Very high	92.4	Very high	76 Å²	76	76.7 Å²	76.7	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-57.5	-53	178.9	169.9	-93.9	0	0	0	111.4	P124 P125 W130 W131 V132 I143	P124-Y128 PolarHBondContact O-N 3.21Å; P125-Y128 PolarHBondContact O-N 2.82Å; Y128-W130 PolarHBondContact O-N 3.14Å; Y128-W131 PolarHBondContact O-N 3.36Å; Y128-V132 HydrophobicContact CD2-CG1 4.34Å; Y128-V132 HydrophobicContact CE1-CG1 4.43Å; Y128-V132 HydrophobicContact CE2-CG1 3.97Å; Y128-V132 WeakPolarHBondContact O-CG2 3.37Å; Y128-V132 PolarHBondContact O-N 3.25Å; Y128-I143 HydrophobicContact CD2-CD1 3.6Å; Y128-I143 HydrophobicContact CE2-CD1 3.3Å; Y128-I143 HydrophobicContact CE2-CG1 4.04Å
129	Y	94.6	Very high	91.6	Very high	152 Å²	152	79.2 Å²	79.2	60%	0.596	39%	0.389	S	S	*	.	H	α-helix	trans	-65.1	-40.4	-177.3	-70.7	-56.6	0	0	0	112.1	P125 V132 M133	P125-Y129 HydrophobicContact CB-CD2 4.34Å; P125-Y129 HydrophobicContact CB-CE2 4.08Å; P125-Y129 WeakPolarHBondContact O-CD2 3.31Å; P125-Y129 PolarHBondContact O-N 3.02Å; Y129-V132 WeakPolarHBondContact O-CG2 3.43Å; Y129-M133 WeakPolarHBondContact O-CG 3.12Å; Y129-M133 PolarHBondContact O-N 3.07Å
130	W	96.1	Very high	90.6	Very high	43 Å²	43	77.2 Å²	77.2	16%	0.163	39%	0.385	C	S	.	.	H	α-helix	trans	-60.5	-47.7	173.5	172.1	85	0	0	0	111.5	D126 V127 Y128 V132 M133 L134 F281 K282 H285	D126-W130 VanDerWaalsContact O-CB 3.25Å; D126-W130 WeakPolarHBondContact O-CB 2.95Å; D126-W130 PolarHBondContact O-N 3.38Å; V127-W130 PolarHBondContact O-N 3.44Å; Y128-W130 PolarHBondContact O-N 3.14Å; W130-V132 PolarHBondContact O-N 2.8Å; W130-M133 PolarHBondContact O-N 3.32Å; W130-M133 VanDerWaalsContact O-N 3.15Å; W130-L134 HydrophobicContact CD2-CD2 4.31Å; W130-L134 HydrophobicContact CH2-CD1 3.89Å; W130-L134 HydrophobicContact CH2-CD2 4.08Å; W130-L134 HydrophobicContact CH2-CG 4.45Å; W130-L134 HydrophobicContact CZ2-CD1 4.39Å; W130-L134 HydrophobicContact CZ2-CD2 3.72Å; W130-L134 HydrophobicContact CZ3-CD1 3.97Å; W130-L134 PolarHBondContact O-N 3.4Å; W130-F281 HydrophobicContact CH2-CB 4.27Å; W130-F281 HydrophobicContact CH2-CD1 4.4Å; W130-F281 AromaticContact CH2-CD2 3.7Å; W130-F281 HydrophobicContact CH2-CD2 3.7Å; W130-F281 HydrophobicContact CH2-CE2 4.1Å; W130-F281 AromaticContact CH2-CG 3.86Å; W130-F281 HydrophobicContact CH2-CG 3.86Å; W130-F281 HydrophobicContact CZ3-CB 4.25Å; W130-F281 HydrophobicContact CZ3-CD2 4.47Å; W130-F281 HydrophobicContact CZ3-CG 4.18Å; W130-K282 HydrophobicContact CB-CD 3.92Å; W130-K282 HydrophobicContact CD2-CB 4.19Å; W130-K282 HydrophobicContact CD2-CD 3.9Å; W130-K282 HydrophobicContact CD2-CG 3.96Å; W130-K282 HydrophobicContact CE3-CB 3.65Å; W130-K282 HydrophobicContact CE3-CD 3.94Å; W130-K282 HydrophobicContact CE3-CG 3.93Å; W130-K282 HydrophobicContact CG-CD 3.9Å; W130-K282 HydrophobicContact CG-CG 4.37Å; W130-K282 HydrophobicContact CH2-CB 4.15Å; W130-K282 HydrophobicContact CZ3-CB 3.64Å; W130-K282 HydrophobicContact CZ3-CG 4.31Å; W130-H285 AromaticContact CE2-ND1 3.76Å; W130-H285 HydrophobicContact CH2-CB 4.29Å; W130-H285 HydrophobicContact CZ2-CB 3.77Å; W130-H285 AromaticContact CZ2-CG 3.7Å; W130-H285 AromaticContact CZ2-ND1 3.72Å; W130-H285 AromaticContact NE1-CE1 3.5Å; W130-H285 AromaticContact NE1-ND1 3.44Å; W130-H285 PolarHBondContact NE1-ND1 2.98Å
131	W	95.9	Very high	90	Very high	0 Å²	0	79 Å²	79	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-65.6	-43.1	-174.7	-179.6	74.7	0	0	0	112.8	V127 Y128 M133 L134 I143 P237 K239 T240 L243 P278	V127-W131 VanDerWaalsContact O-CB 3.26Å; V127-W131 WeakPolarHBondContact O-CB 2.93Å; V127-W131 PolarHBondContact O-N 2.78Å; Y128-W131 PolarHBondContact O-N 3.36Å; W131-M133 PolarHBondContact O-N 3.18Å; W131-L134 WeakPolarHBondContact O-CB 3.41Å; W131-L134 VanDerWaalsContact O-CG 3.3Å; W131-L134 WeakPolarHBondContact O-CG 3.11Å; W131-L134 PolarHBondContact O-N 2.76Å; W131-L134 VanDerWaalsContact O-N 3.15Å; W131-I143 HydrophobicContact CE3-CD1 3.87Å; W131-I143 HydrophobicContact CH2-CD1 4.39Å; W131-I143 HydrophobicContact CZ3-CD1 3.38Å; W131-I143 HydrophobicContact CZ3-CG1 4.32Å; W131-P237 HydrophobicContact CZ2-CB 3.98Å; W131-P237 HydrophobicContact CZ2-CG 4.24Å; W131-P237 PolarHBondContact NE1-O 3.04Å; W131-K239 VanDerWaalsContact CH2-C 3.4Å; W131-T240 VanDerWaalsContact CH2-N 3.31Å; W131-T240 WeakPolarHBondContact CZ3-OG1 3.47Å; W131-L243 HydrophobicContact CH2-CD1 4.1Å; W131-P278 HydrophobicContact CB-CB 4.25Å; W131-P278 HydrophobicContact CD2-CB 4.2Å; W131-P278 HydrophobicContact CD2-CG 4.15Å; W131-P278 HydrophobicContact CG-CB 3.76Å; W131-P278 HydrophobicContact CG-CG 4.2Å; W131-P278 HydrophobicContact CZ2-CG 4.37Å
132	V	93	Very high	89.8	Confident	35 Å²	35	82 Å²	82	21%	0.212	41%	0.408	C	S	.	.	H	α-helix	trans	-67	-19.2	177.6	-60.5	0	0	0	0	113.1	Y128 Y129 W130 I143	Y128-V132 HydrophobicContact CD2-CG1 4.34Å; Y128-V132 HydrophobicContact CE1-CG1 4.43Å; Y128-V132 HydrophobicContact CE2-CG1 3.97Å; Y128-V132 WeakPolarHBondContact O-CG2 3.37Å; Y128-V132 PolarHBondContact O-N 3.25Å; Y129-V132 WeakPolarHBondContact O-CG2 3.43Å; W130-V132 PolarHBondContact O-N 2.8Å; V132-I143 HydrophobicContact CG1-CD1 4.35Å
133	M	92.8	Very high	89.7	Confident	118 Å²	118	75 Å²	75	58%	0.581	38%	0.376	S	S	*	.	H	α-helix	trans	-86.4	-9.8	177	-69.4	-58.8	-63.5	0	0	113.7	Y129 W130 W131 Q135 P136 R294	Y129-M133 WeakPolarHBondContact O-CG 3.12Å; Y129-M133 PolarHBondContact O-N 3.07Å; W130-M133 PolarHBondContact O-N 3.32Å; W130-M133 VanDerWaalsContact O-N 3.15Å; W131-M133 PolarHBondContact O-N 3.18Å; M133-Q135 VanDerWaalsContact C-N 3.32Å; M133-Q135 PolarHBondContact O-N 3.1Å; M133-P136 HydrophobicContact CE-CG 4.36Å; M133-P136 HydrophobicContact SD-CG 4.49Å; M133-R294 PolarHBondContact O-NH2 3.28Å
134	L	92.2	Very high	89.5	Confident	5 Å²	5	78 Å²	78	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-46.3	173.9	-61.4	-175.1	0	0	0	110.9	W130 W131 F281 R294 Y295	W130-L134 HydrophobicContact CD2-CD2 4.31Å; W130-L134 HydrophobicContact CH2-CD1 3.89Å; W130-L134 HydrophobicContact CH2-CD2 4.08Å; W130-L134 HydrophobicContact CH2-CG 4.45Å; W130-L134 HydrophobicContact CZ2-CD1 4.39Å; W130-L134 HydrophobicContact CZ2-CD2 3.72Å; W130-L134 HydrophobicContact CZ3-CD1 3.97Å; W130-L134 PolarHBondContact O-N 3.4Å; W131-L134 WeakPolarHBondContact O-CB 3.41Å; W131-L134 VanDerWaalsContact O-CG 3.3Å; W131-L134 WeakPolarHBondContact O-CG 3.11Å; W131-L134 PolarHBondContact O-N 2.76Å; W131-L134 VanDerWaalsContact O-N 3.15Å; L134-F281 HydrophobicContact CD1-CD1 4.24Å; L134-F281 HydrophobicContact CD1-CE1 3.74Å; L134-F281 HydrophobicContact CD1-CZ 4.05Å; L134-R294 PolarHBondContact O-NE 3.17Å; L134-R294 VanDerWaalsContact O-NE 3.1Å; L134-R294 PolarHBondContact O-NH2 2.7Å; L134-Y295 HydrophobicContact CB-CD1 4.31Å; L134-Y295 HydrophobicContact CB-CE1 4.49Å; L134-Y295 HydrophobicContact CD2-CD1 3.84Å; L134-Y295 HydrophobicContact CD2-CG 4.25Å
135	Q	90.9	Very high	89.4	Confident	33 Å²	33	80 Å²	80	15%	0.154	39%	0.393	C	S	.	.	S	Bend	trans	-140.5	85.3	174.3	-66.3	-174.2	5.2	0	0	110.3	M133 Q137 F238 K239 Y295	M133-Q135 VanDerWaalsContact C-N 3.32Å; M133-Q135 PolarHBondContact O-N 3.1Å; Q135-Q137 PolarHBondContact O-N 3.45Å; Q135-Q137 PolarHBondContact O-NE2 2.97Å; Q135-F238 HydrophobicContact CG-CB 4.46Å; Q135-K239 HydrophobicContact CB-CB 4.16Å; Q135-K239 HydrophobicContact CB-CD 4.26Å; Q135-Y295 PolarHBondContact NE2-OH 3.36Å
136	P	85.3	Confident	89.2	Confident	73 Å²	73	76.4 Å²	76.4	47%	0.474	37%	0.369	S	S	.	.			trans	-54	135.5	-173.2	-26.4	34.4	0	0	0	113	M133	M133-P136 HydrophobicContact CE-CG 4.36Å; M133-P136 HydrophobicContact SD-CG 4.49Å
137	Q	83.3	Confident	89.1	Confident	85 Å²	85	72.3 Å²	72.3	40%	0.397	35%	0.347	S	S	.	.			trans	-116.6	134.6	178.4	-59.7	-61.1	-65.9	0	0	110	Q135 K139 K239	Q135-Q137 PolarHBondContact O-N 3.45Å; Q135-Q137 PolarHBondContact O-NE2 2.97Å; Q137-K139 VanDerWaalsContact C-N 3.25Å; Q137-K139 PolarHBondContact O-N 2.79Å; Q137-K239 HydrophobicContact CG-CB 4.24Å
138	F	72.4	Confident	89	Confident	213 Å²	213	75.8 Å²	75.8	93%	0.934	37%	0.365	S	S	*	.	S	Bend	trans	-70.1	-19.9	-179.2	-64.7	-75.8	0	0	0	114
139	K	77.4	Confident	88.9	Confident	169 Å²	169	79.8 Å²	79.8	74%	0.735	38%	0.379	S	S	*	.	S	Bend	trans	-119.9	104.7	178.8	-68	-172.1	180	-177.4	0	109.3	Q137	Q137-K139 VanDerWaalsContact C-N 3.25Å; Q137-K139 PolarHBondContact O-N 2.79Å
140	P	74.4	Confident	89	Confident	115 Å²	115	72.5 Å²	72.5	75%	0.747	35%	0.351	S	S	*	.			trans	-69.6	135	178.2	28.1	-32.7	0	0	0	109.8
141	H	81.4	Confident	89	Confident	81 Å²	81	70.8 Å²	70.8	38%	0.375	35%	0.345	S	S	.	.			trans	-101.8	146.1	167.6	-65.1	-75.2	0	0	0	109.1	I143 V146 T240	H141-I143 PolarHBondContact O-N 2.68Å; H141-V146 HydrophobicContact CB-CG2 4.06Å; H141-T240 HydrophobicContact CB-CG2 3.69Å
142	N	89.1	Confident	88.9	Confident	81 Å²	81	78.6 Å²	78.6	43%	0.433	38%	0.381	S	S	.	.			trans	-69.6	102.9	168.9	-177.3	-42.9	0	0	0	108.9	Q144 Q145 V146	N142-Q144 VanDerWaalsContact C-N 3.29Å; N142-Q144 PolarHBondContact O-N 3.06Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.24Å; N142-Q144 PolarHBondContact OD1-N 2.83Å; N142-Q144 VanDerWaalsContact OD1-N 3.13Å; N142-Q145 HydrophobicContact CB-CB 4.17Å; N142-Q145 HydrophobicContact CB-CG 4.15Å; N142-Q145 PolarHBondContact O-N 3.3Å; N142-Q145 PolarHBondContact OD1-N 3.06Å; N142-V146 WeakPolarHBondContact O-CG2 3.49Å; N142-V146 PolarHBondContact O-N 2.88Å
143	I	90.3	Very high	89	Confident	13 Å²	13	79 Å²	79	7%	0.067	38%	0.383	C	S	.	.	H	α-helix	trans	-56.8	-43.1	-176	-63.5	-176.7	0	0	0	111.5	W116 Y128 W131 V132 H141 Q145 V146 L147 T240 L243	W116-I143 HydrophobicContact CH2-CG2 3.58Å; W116-I143 HydrophobicContact CZ2-CG2 4.08Å; W116-I143 HydrophobicContact CZ3-CG2 4.42Å; Y128-I143 HydrophobicContact CD2-CD1 3.6Å; Y128-I143 HydrophobicContact CE2-CD1 3.3Å; Y128-I143 HydrophobicContact CE2-CG1 4.04Å; W131-I143 HydrophobicContact CE3-CD1 3.87Å; W131-I143 HydrophobicContact CH2-CD1 4.39Å; W131-I143 HydrophobicContact CZ3-CD1 3.38Å; W131-I143 HydrophobicContact CZ3-CG1 4.32Å; V132-I143 HydrophobicContact CG1-CD1 4.35Å; H141-I143 PolarHBondContact O-N 2.68Å; I143-Q145 VanDerWaalsContact C-N 3.34Å; I143-Q145 PolarHBondContact O-N 2.99Å; I143-V146 WeakPolarHBondContact O-CB 3.21Å; I143-V146 PolarHBondContact O-N 2.94Å; I143-V146 VanDerWaalsContact O-N 3.14Å; I143-L147 HydrophobicContact CG2-CD1 3.74Å; I143-L147 HydrophobicContact CG2-CG 4.22Å; I143-L147 WeakPolarHBondContact O-CG 3.46Å; I143-L147 PolarHBondContact O-N 2.91Å; I143-T240 HydrophobicContact CG1-CG2 3.86Å; I143-L243 HydrophobicContact CG2-CD1 4.39Å
144	Q	90.2	Very high	89.2	Confident	94 Å²	94	73.7 Å²	73.7	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-46.1	-179.2	-173.9	-177.7	14.3	0	0	110.8	I121 N142 V146 L147 L148	I121-Q144 HydrophobicContact CG2-CG 4.19Å; N142-Q144 VanDerWaalsContact C-N 3.29Å; N142-Q144 PolarHBondContact O-N 3.06Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.24Å; N142-Q144 PolarHBondContact OD1-N 2.83Å; N142-Q144 VanDerWaalsContact OD1-N 3.13Å; Q144-V146 VanDerWaalsContact C-N 3.34Å; Q144-V146 PolarHBondContact O-N 2.88Å; Q144-L147 PolarHBondContact O-N 2.78Å; Q144-L148 HydrophobicContact CG-CD1 4.22Å; Q144-L148 WeakPolarHBondContact O-CB 3.19Å; Q144-L148 VanDerWaalsContact O-CG 3.27Å; Q144-L148 WeakPolarHBondContact O-CG 3.29Å; Q144-L148 PolarHBondContact O-N 3.14Å
145	Q	92.6	Very high	89.4	Confident	106 Å²	106	74.9 Å²	74.9	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-38.3	176.2	-69	179.1	-6.5	0	0	112.5	N142 I143 R149	N142-Q145 HydrophobicContact CB-CB 4.17Å; N142-Q145 HydrophobicContact CB-CG 4.15Å; N142-Q145 PolarHBondContact O-N 3.3Å; N142-Q145 PolarHBondContact OD1-N 3.06Å; I143-Q145 VanDerWaalsContact C-N 3.34Å; I143-Q145 PolarHBondContact O-N 2.99Å; Q145-R149 WeakPolarHBondContact O-CG 3.45Å; Q145-R149 PolarHBondContact O-N 2.69Å; Q145-R149 VanDerWaalsContact O-N 3.14Å
146	V	93.4	Very high	89.7	Confident	16 Å²	16	73.5 Å²	73.5	10%	0.097	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-46.8	175.7	171.7	0	0	0	0	110.5	H141 N142 I143 Q144 R149 L150 L243 V244	H141-V146 HydrophobicContact CB-CG2 4.06Å; N142-V146 WeakPolarHBondContact O-CG2 3.49Å; N142-V146 PolarHBondContact O-N 2.88Å; I143-V146 WeakPolarHBondContact O-CB 3.21Å; I143-V146 PolarHBondContact O-N 2.94Å; I143-V146 VanDerWaalsContact O-N 3.14Å; Q144-V146 VanDerWaalsContact C-N 3.34Å; Q144-V146 PolarHBondContact O-N 2.88Å; V146-R149 PolarHBondContact O-N 3.2Å; V146-L150 WeakPolarHBondContact O-CB 3.43Å; V146-L150 PolarHBondContact O-N 2.84Å; V146-L243 HydrophobicContact CG1-CB 3.63Å; V146-V244 HydrophobicContact CG1-CG2 3.97Å; V146-V244 HydrophobicContact CG2-CG2 3.98Å
147	L	94	Very high	90.2	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67.4	-41.4	179.4	-71.6	169.1	0	0	0	112.6	W116 I121 I143 Q144 R149 L150 F151 L243	W116-L147 HydrophobicContact CD2-CD1 3.77Å; W116-L147 HydrophobicContact CD2-CD2 4.18Å; W116-L147 HydrophobicContact CE3-CD1 4.01Å; W116-L147 HydrophobicContact CE3-CD2 3.97Å; W116-L147 HydrophobicContact CH2-CD1 3.6Å; W116-L147 HydrophobicContact CZ2-CD1 3.28Å; W116-L147 HydrophobicContact CZ3-CD1 3.94Å; W116-L147 HydrophobicContact CZ3-CD2 4.25Å; I121-L147 HydrophobicContact CD1-CB 3.74Å; I121-L147 HydrophobicContact CG1-CB 3.79Å; I121-L147 HydrophobicContact CG1-CD1 3.68Å; I121-L147 HydrophobicContact CG1-CG 4.39Å; I143-L147 HydrophobicContact CG2-CD1 3.74Å; I143-L147 HydrophobicContact CG2-CG 4.22Å; I143-L147 WeakPolarHBondContact O-CG 3.46Å; I143-L147 PolarHBondContact O-N 2.91Å; Q144-L147 PolarHBondContact O-N 2.78Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 3.35Å; L147-L150 HydrophobicContact CD2-CD2 4.39Å; L147-L150 PolarHBondContact O-N 2.97Å; L147-L150 VanDerWaalsContact O-N 3.15Å; L147-F151 HydrophobicContact CB-CD2 4.42Å; L147-F151 HydrophobicContact CB-CE2 4.14Å; L147-F151 HydrophobicContact CD2-CZ 4.19Å; L147-F151 WeakPolarHBondContact O-CB 3.24Å; L147-F151 VanDerWaalsContact O-CD2 3.32Å; L147-F151 WeakPolarHBondContact O-CD2 3.46Å; L147-F151 VanDerWaalsContact O-CG 3.27Å; L147-F151 WeakPolarHBondContact O-CG 3.49Å; L147-F151 PolarHBondContact O-N 3.42Å; L147-L243 HydrophobicContact CD2-CD1 4.02Å; L147-L243 HydrophobicContact CD2-CD2 4.24Å; L147-L243 HydrophobicContact CG-CD1 4.36Å
148	L	94.1	Very high	90.8	Very high	84 Å²	84	77.2 Å²	77.2	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-40.1	176	-73.2	172.4	0	0	0	111.7	I121 Q144 Q152	I121-L148 HydrophobicContact CD1-CD2 3.84Å; I121-L148 HydrophobicContact CD1-CG 4.05Å; Q144-L148 HydrophobicContact CG-CD1 4.22Å; Q144-L148 WeakPolarHBondContact O-CB 3.19Å; Q144-L148 VanDerWaalsContact O-CG 3.27Å; Q144-L148 WeakPolarHBondContact O-CG 3.29Å; Q144-L148 PolarHBondContact O-N 3.14Å; L148-Q152 WeakPolarHBondContact O-CG 3.23Å; L148-Q152 PolarHBondContact O-N 2.9Å
149	R	93.8	Very high	91.8	Very high	159 Å²	159	70.8 Å²	70.8	60%	0.6	35%	0.348	S	S	*	.	H	α-helix	trans	-68.6	-43.2	173.4	-70.2	175.9	-174.9	178.9	2.8	111.9	Q145 V146 L147 F151 Q152	Q145-R149 WeakPolarHBondContact O-CG 3.45Å; Q145-R149 PolarHBondContact O-N 2.69Å; Q145-R149 VanDerWaalsContact O-N 3.14Å; V146-R149 PolarHBondContact O-N 3.2Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 3.35Å; R149-F151 VanDerWaalsContact C-N 3.32Å; R149-F151 PolarHBondContact O-N 2.92Å; R149-Q152 WeakPolarHBondContact O-CB 3.25Å; R149-Q152 PolarHBondContact O-N 3.34Å; R149-Q152 VanDerWaalsContact O-N 3.09Å
150	L	95.6	Very high	92.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-43.8	178.1	177.3	52.7	0	0	0	111.4	V146 L147 Q152 V153 I154 L243 I246 I275	V146-L150 WeakPolarHBondContact O-CB 3.43Å; V146-L150 PolarHBondContact O-N 2.84Å; L147-L150 HydrophobicContact CD2-CD2 4.39Å; L147-L150 PolarHBondContact O-N 2.97Å; L147-L150 VanDerWaalsContact O-N 3.15Å; L150-Q152 PolarHBondContact O-N 3.4Å; L150-Q152 VanDerWaalsContact O-N 3.17Å; L150-V153 WeakPolarHBondContact O-CA 3.43Å; L150-V153 WeakPolarHBondContact O-CB 3.24Å; L150-V153 PolarHBondContact O-N 3.47Å; L150-I154 HydrophobicContact CD1-CD1 3.93Å; L150-I154 HydrophobicContact CD1-CG1 4.16Å; L150-I154 HydrophobicContact CD1-CG2 4.15Å; L150-I154 HydrophobicContact CD2-CD1 4.25Å; L150-I154 HydrophobicContact CG-CD1 3.8Å; L150-I154 HydrophobicContact CG-CG1 4.11Å; L150-I154 PolarHBondContact O-N 3.32Å; L150-L243 HydrophobicContact CD2-CD2 4.29Å; L150-I246 HydrophobicContact CD1-CG2 3.74Å; L150-I246 HydrophobicContact CD2-CG2 3.77Å; L150-I246 HydrophobicContact CG-CG2 4.43Å; L150-I275 HydrophobicContact CD2-CD1 3.74Å; L150-I275 HydrophobicContact CD2-CG1 4Å
151	F	96.2	Very high	93.3	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.031	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-0.1	177.4	-61.5	-31.4	0	0	0	114	T117 R118 I121 L147 R149 V153 I154 I275	T117-F151 WeakPolarHBondContact O-CE2 3.38Å; R118-F151 HydrophobicContact CG-CB 4.23Å; R118-F151 HydrophobicContact CG-CD2 3.66Å; R118-F151 HydrophobicContact CG-CE2 4.27Å; R118-F151 HydrophobicContact CG-CG 4.16Å; R118-F151 PolarHBondContact NH2-O 3.25Å; I121-F151 HydrophobicContact CD1-CD2 3.86Å; I121-F151 HydrophobicContact CD1-CE2 3.74Å; I121-F151 HydrophobicContact CG1-CE2 3.94Å; L147-F151 HydrophobicContact CB-CD2 4.42Å; L147-F151 HydrophobicContact CB-CE2 4.14Å; L147-F151 HydrophobicContact CD2-CZ 4.19Å; L147-F151 WeakPolarHBondContact O-CB 3.24Å; L147-F151 VanDerWaalsContact O-CD2 3.32Å; L147-F151 WeakPolarHBondContact O-CD2 3.46Å; L147-F151 VanDerWaalsContact O-CG 3.27Å; L147-F151 WeakPolarHBondContact O-CG 3.49Å; L147-F151 PolarHBondContact O-N 3.42Å; R149-F151 VanDerWaalsContact C-N 3.32Å; R149-F151 PolarHBondContact O-N 2.92Å; F151-V153 VanDerWaalsContact C-N 3.34Å; F151-I154 CarbonylContact C-O 3.53Å; F151-I154 HydrophobicContact CD1-CD1 4.07Å; F151-I154 HydrophobicContact CD1-CG1 3.85Å; F151-I154 HydrophobicContact CE1-CD1 4.17Å; F151-I154 HydrophobicContact CE1-CG1 4.44Å; F151-I275 HydrophobicContact CE1-CG1 4.33Å
152	Q	95.3	Very high	93.6	Very high	164 Å²	164	62.8 Å²	62.8	77%	0.766	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.3	162	-66.5	168.8	-0.6	0	0	111.8	L148 R149 L150	L148-Q152 WeakPolarHBondContact O-CG 3.23Å; L148-Q152 PolarHBondContact O-N 2.9Å; R149-Q152 WeakPolarHBondContact O-CB 3.25Å; R149-Q152 PolarHBondContact O-N 3.34Å; R149-Q152 VanDerWaalsContact O-N 3.09Å; L150-Q152 PolarHBondContact O-N 3.4Å; L150-Q152 VanDerWaalsContact O-N 3.17Å
153	V	95	Very high	93.5	Very high	43 Å²	43	62.2 Å²	62.2	26%	0.261	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-29.6	-177.5	-175.8	0	0	0	0	112.1	L150 F151 L250 K270	L150-V153 WeakPolarHBondContact O-CA 3.43Å; L150-V153 WeakPolarHBondContact O-CB 3.24Å; L150-V153 PolarHBondContact O-N 3.47Å; F151-V153 VanDerWaalsContact C-N 3.34Å; V153-L250 HydrophobicContact CG1-CB 3.98Å; V153-L250 HydrophobicContact CG1-CD1 4.22Å; V153-K270 HydrophobicContact CG1-CD 4.29Å
154	I	96.8	Very high	93.5	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.036	34%	0.34	C	S	.	.	S	Bend	trans	-126	164.6	-176.7	73.6	171.4	0	0	0	111.2	L150 F151 G156 L250 V273 I275	L150-I154 HydrophobicContact CD1-CD1 3.93Å; L150-I154 HydrophobicContact CD1-CG1 4.16Å; L150-I154 HydrophobicContact CD1-CG2 4.15Å; L150-I154 HydrophobicContact CD2-CD1 4.25Å; L150-I154 HydrophobicContact CG-CD1 3.8Å; L150-I154 HydrophobicContact CG-CG1 4.11Å; L150-I154 PolarHBondContact O-N 3.32Å; F151-I154 CarbonylContact C-O 3.53Å; F151-I154 HydrophobicContact CD1-CD1 4.07Å; F151-I154 HydrophobicContact CD1-CG1 3.85Å; F151-I154 HydrophobicContact CE1-CD1 4.17Å; F151-I154 HydrophobicContact CE1-CG1 4.44Å; I154-G156 VanDerWaalsContact C-N 3.34Å; I154-G156 PolarHBondContact O-N 3.42Å; I154-L250 HydrophobicContact CG2-CD1 3.82Å; I154-V273 HydrophobicContact CB-CB 4.12Å; I154-V273 HydrophobicContact CB-CG1 4.47Å; I154-V273 HydrophobicContact CD1-CB 4.43Å; I154-V273 HydrophobicContact CD1-CG1 3.97Å; I154-V273 HydrophobicContact CG2-CB 3.75Å; I154-V273 HydrophobicContact CG2-CG1 3.94Å; I154-V273 HydrophobicContact CG2-CG2 4.31Å; I154-I275 HydrophobicContact CD1-CD1 3.78Å; I154-I275 HydrophobicContact CD1-CG1 3.75Å
155	P	96.9	Very high	93.6	Very high	29 Å²	29	64.6 Å²	64.6	19%	0.188	34%	0.344	C	S	.	.			trans	-58.7	-34.6	-171.8	-27.7	33.1	0	0	0	115.9	R118 R157 K270 D271	R118-P155 VanDerWaalsContact CZ-O 3.28Å; R118-P155 PolarHBondContact NH1-O 2.73Å; R118-P155 PolarHBondContact NH2-O 3.19Å; P155-R157 VanDerWaalsContact C-N 3.27Å; P155-R157 HydrophobicContact CB-CG 4.04Å; P155-R157 PolarHBondContact O-N 2.79Å; P155-K270 VanDerWaalsContact CD-O 3.26Å; P155-K270 WeakPolarHBondContact CD-O 3.25Å; P155-D271 WeakPolarHBondContact CG-O 3.3Å
156	G	95.9	Very high	93.7	Very high	5 Å²	5	62.6 Å²	62.6	5%	0.052	35%	0.351	C	S	.	.			trans	60.5	29.2	178.4	0	0	0	0	0	115.3	T117 R118 I154	T117-G156 WeakPolarHBondContact CA-O 3.07Å; R118-G156 PolarHBondContact N-O 3.33Å; R118-G156 PolarHBondContact NH1-O 3.01Å; I154-G156 VanDerWaalsContact C-N 3.34Å; I154-G156 PolarHBondContact O-N 3.42Å
157	R	95.8	Very high	93.8	Very high	186 Å²	186	65 Å²	65	70%	0.702	36%	0.359	S	S	*	.	S	Bend	trans	-139.2	155	179.5	62.3	-178.2	177	-168.2	-1.7	110	P155	P155-R157 VanDerWaalsContact C-N 3.27Å; P155-R157 HydrophobicContact CB-CG 4.04Å; P155-R157 PolarHBondContact O-N 2.79Å
158	S	95.6	Very high	93.9	Very high	50 Å²	50	67.3 Å²	67.3	35%	0.35	37%	0.374	S	S	.	.			trans	-73.3	129.6	174.2	-176.5	0	0	0	0	110.5	Y160	S158-Y160 VanDerWaalsContact C-N 3.29Å; S158-Y160 PolarHBondContact OG-N 2.94Å; S158-Y160 PolarHBondContact OG-O 3.44Å
159	P	94.9	Very high	94.1	Very high	77 Å²	77	64.2 Å²	64.2	50%	0.5	36%	0.358	S	S	.	.			trans	-84.9	-2.5	169.3	35.7	-34.7	0	0	0	112.9	Q274	P159-Q274 HydrophobicContact CG-CG 4.42Å
160	Y	94.9	Very high	94.3	Very high	31 Å²	31	61.6 Å²	61.6	12%	0.122	35%	0.348	C	S	.	.			trans	-95.2	136.1	-176	-51.9	-69.3	0	0	0	110.9	V115 S158 Y194 H216 Q274 F305 V309	V115-Y160 HydrophobicContact CG1-CD2 4.42Å; V115-Y160 HydrophobicContact CG1-CE2 3.96Å; S158-Y160 VanDerWaalsContact C-N 3.29Å; S158-Y160 PolarHBondContact OG-N 2.94Å; S158-Y160 PolarHBondContact OG-O 3.44Å; Y160-Y194 HydrophobicContact CD1-CE2 4.29Å; Y160-Y194 AromaticContact CE1-CE2 3.98Å; Y160-Y194 HydrophobicContact CE1-CE2 3.98Å; Y160-H216 AromaticContact CE1-NE2 3.85Å; Y160-H216 AromaticContact CZ-NE2 3.84Å; Y160-H216 PolarHBondContact OH-CD2 3.07Å; Y160-H216 PolarHBondContact OH-NE2 2.93Å; Y160-Q274 PolarHBondContact OH-NE2 3.34Å; Y160-Q274 PolarHBondContact OH-OE1 3.21Å; Y160-F305 HydrophobicContact CD2-CZ 4.42Å; Y160-F305 HydrophobicContact CE1-CE1 4.37Å; Y160-F305 AromaticContact CE2-CE1 3.88Å; Y160-F305 HydrophobicContact CE2-CE1 3.88Å; Y160-F305 HydrophobicContact CE2-CE2 4.41Å; Y160-F305 AromaticContact CE2-CZ 3.4Å; Y160-F305 HydrophobicContact CE2-CZ 3.4Å; Y160-F305 VanDerWaalsContact CE2-CZ 3.4Å; Y160-F305 AromaticContact CZ-CE1 3.62Å; Y160-F305 AromaticContact CZ-CZ 3.55Å; Y160-F305 WeakPolarHBondContact OH-CE1 3.38Å; Y160-F305 VanDerWaalsContact OH-CZ 3.31Å; Y160-F305 WeakPolarHBondContact OH-CZ 3.26Å; Y160-V309 HydrophobicContact CD1-CB 3.7Å; Y160-V309 HydrophobicContact CD1-CG1 3.94Å; Y160-V309 HydrophobicContact CD1-CG2 4.2Å; Y160-V309 HydrophobicContact CD2-CB 4.45Å; Y160-V309 HydrophobicContact CD2-CG1 3.76Å; Y160-V309 HydrophobicContact CE1-CB 4.12Å; Y160-V309 HydrophobicContact CE1-CG1 4.32Å; Y160-V309 HydrophobicContact CE1-CG2 4.13Å; Y160-V309 HydrophobicContact CE2-CG1 4.15Å; Y160-V309 HydrophobicContact CG-CB 3.89Å; Y160-V309 HydrophobicContact CG-CG1 3.65Å
161	G	87.1	Confident	94.5	Very high	66 Å²	66	61.6 Å²	61.6	68%	0.68	35%	0.348	S	S	*	.			trans	-87.3	178.5	174.5	0	0	0	0	0	112.5
162	S	87.6	Confident	94.6	Very high	101 Å²	101	61.2 Å²	61.2	71%	0.706	35%	0.346	S	S	*	.			trans	-75.8	173.5	171.9	57.5	0	0	0	0	112.2	R167	S162-R167 PolarHBondContact O-NH2 3.49Å; S162-R167 VanDerWaalsContact O-NH2 3.16Å
163	W	87.1	Confident	94.8	Very high	69 Å²	69	53.5 Å²	53.5	26%	0.261	31%	0.311	S	S	.	.			trans	-53.3	139	165.7	-61.3	107.3	0	0	0	111.1	V95 Y108 C310 D311	V95-W163 HydrophobicContact CB-CH2 4.13Å; Y108-W163 WeakPolarHBondContact OH-CZ2 3.35Å; W163-C310 VanDerWaalsContact CH2-O 3.31Å; W163-C310 WeakPolarHBondContact CH2-O 3.15Å; W163-D311 VanDerWaalsContact CZ3-OD1 3.22Å; W163-D311 WeakPolarHBondContact CZ3-OD1 3.4Å
164	D	90.8	Very high	95	Very high	76 Å²	76	51.6 Å²	51.6	41%	0.406	30%	0.299	S	S	.	.			trans	-139.9	109.9	-179.2	175.8	3.2	0	0	0	108.8	T88 G166 R167	T88-D164 CarbonylContact O-C 3.56Å; T88-D164 PolarHBondContact O-N 3.49Å; D164-G166 PolarHBondContact O-N 3.06Å; D164-G166 PolarHBondContact OD1-N 2.92Å; D164-R167 HydrophobicContact CB-CB 3.86Å; D164-R167 PolarHBondContact O-N 3.01Å
165	P	92.8	Very high	95	Very high	81 Å²	81	51.3 Å²	51.3	53%	0.526	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.8	179.2	-26.2	35.4	0	0	0	114.8	C89 A90	C89-P165 CarbonylContact C-O 3.48Å; A90-P165 PolarHBondContact N-O 2.78Å
166	G	94.5	Very high	94.9	Very high	63 Å²	63	50.5 Å²	50.5	65%	0.649	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.6	176.5	0	0	0	0	0	114.9	D164	D164-G166 PolarHBondContact O-N 3.06Å; D164-G166 PolarHBondContact OD1-N 2.92Å
167	R	95.3	Very high	94.8	Very high	68 Å²	68	50.8 Å²	50.8	26%	0.257	29%	0.293	S	S	.	.			trans	-106.7	145	-174.3	-176.6	173.6	61.1	103.9	2.7	111.5	C89 A90 S162 D164 L169 D311	C89-R167 WeakPolarHBondContact CB-O 3.44Å; A90-R167 PolarHBondContact N-O 3.45Å; S162-R167 PolarHBondContact O-NH2 3.49Å; S162-R167 VanDerWaalsContact O-NH2 3.16Å; D164-R167 HydrophobicContact CB-CB 3.86Å; D164-R167 PolarHBondContact O-N 3.01Å; R167-L169 HydrophobicContact CG-CB 4.41Å; R167-D311 IonicContact CZ-OD1 3.98Å; R167-D311 IonicContact CZ-OD2 3.48Å; R167-D311 IonicContact NE-OD2 3.75Å; R167-D311 IonicContact NH1-OD2 3.82Å; R167-D311 IonicContact NH2-OD1 3.58Å; R167-D311 IonicContact NH2-OD2 2.92Å
168	C	96.9	Very high	94.6	Very high	48 Å²	48	42.1 Å²	42.1	32%	0.324	26%	0.262	S	S	.	.			trans	-131.1	89.4	166.5	179.2	0	0	0	0	109.9	A90 C91	A90-C168 HydrophobicContact CB-CB 4.27Å; C91-C168 WeakPolarHBondContact CA-SG 3.37Å; C91-C168 HydrophobicContact CB-CB 4.07Å; C91-C168 WeakPolarHBondContact CB-SG 3.45Å; C91-C168 WeakPolarHBondContact SG-CA 3.34Å; C91-C168 WeakPolarHBondContact SG-CB 3.38Å; C91-C168 CovalentContact SG-SG 2.04Å; C91-C168 PolarHBondContact SG-SG 3.47Å
169	L	97.8	Very high	94.5	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	25%	0.246	C	C	.	.			trans	-89.4	110.7	176.4	-178.3	76	0	0	0	110.4	R167 D193 Y194 V309 D311 E312	R167-L169 HydrophobicContact CG-CB 4.41Å; L169-D193 HydrophobicContact CD1-CB 3.44Å; L169-D193 VanDerWaalsContact CD1-CB 3.44Å; L169-D193 HydrophobicContact CG-CB 4.41Å; L169-Y194 HydrophobicContact CD1-CD1 4.45Å; L169-Y194 HydrophobicContact CD1-CD2 4.37Å; L169-Y194 HydrophobicContact CD1-CE1 4.3Å; L169-Y194 HydrophobicContact CD1-CE2 4.23Å; L169-Y194 HydrophobicContact CD1-CG 4.48Å; L169-Y194 HydrophobicContact CD2-CD2 3.83Å; L169-Y194 HydrophobicContact CD2-CE2 3.53Å; L169-Y194 HydrophobicContact CG-CD2 4.41Å; L169-Y194 HydrophobicContact CG-CE2 4.4Å; L169-V309 VanDerWaalsContact CD2-O 3.24Å; L169-V309 WeakPolarHBondContact CD2-O 3.45Å; L169-D311 VanDerWaalsContact CB-OD2 3.3Å; L169-D311 WeakPolarHBondContact CB-OD2 3.3Å; L169-D311 PolarHBondContact N-OD2 3.08Å; L169-D311 PolarHBondContact O-N 2.85Å; L169-E312 PolarHBondContact O-N 3.34Å
170	R	98.5	Very high	94.6	Very high	103 Å²	103	36.2 Å²	36.2	39%	0.389	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.7	-175.7	-53.5	177.2	68.2	-167.9	1.7	110.3	D193 Y194 E312	R170-D193 PolarHBondContact N-OD2 3.29Å; R170-D193 WeakPolarHBondContact O-CB 3.48Å; R170-D193 PolarHBondContact O-N 2.86Å; R170-Y194 PolarHBondContact O-N 3.13Å; R170-E312 HydrophobicContact CB-CB 4.49Å; R170-E312 HydrophobicContact CG-CB 4.19Å; R170-E312 IonicContact CZ-OE1 3.28Å; R170-E312 VanDerWaalsContact CZ-OE1 3.28Å; R170-E312 IonicContact NE-OE1 2.85Å; R170-E312 PolarHBondContact NE-OE1 3.43Å; R170-E312 IonicContact NE-OE2 3.67Å; R170-E312 IonicContact NH2-OE1 2.83Å; R170-E312 PolarHBondContact NH2-OE1 3.34Å
171	C	98.8	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.2	-175.6	-67.2	0	0	0	0	112.4	H192 Y194 C310 E312 N314	C171-H192 VanDerWaalsContact C-CD2 3.45Å; C171-Y194 CarbonylContact C-O 3.08Å; C171-Y194 VanDerWaalsContact CA-O 3.26Å; C171-Y194 WeakPolarHBondContact CA-O 3.23Å; C171-C310 HydrophobicContact CB-CB 3.59Å; C171-C310 WeakPolarHBondContact CB-SG 3.2Å; C171-C310 WeakPolarHBondContact SG-CB 3.43Å; C171-C310 CovalentContact SG-SG 2Å; C171-C310 PolarHBondContact SG-SG 2.86Å; C171-E312 PolarHBondContact N-O 2.86Å; C171-N314 PolarHBondContact O-N 2.92Å
172	A	98.9	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.6	166	0	0	0	0	0	109.9	V174 I189 H192 Y194 I195 M196 N314 F316	A172-V174 HydrophobicContact CB-CG2 4.41Å; A172-I189 HydrophobicContact CB-CG2 4.28Å; A172-H192 HydrophobicContact CB-CB 3.95Å; A172-Y194 PolarHBondContact N-O 2.5Å; A172-I195 HydrophobicContact CB-CG1 4.39Å; A172-I195 WeakPolarHBondContact O-CA 3.35Å; A172-M196 PolarHBondContact O-N 3.22Å; A172-N314 CarbonylContact C-O 3.57Å; A172-N314 WeakPolarHBondContact CA-O 3.43Å; A172-F316 HydrophobicContact CB-CD2 4.14Å; A172-F316 HydrophobicContact CB-CE2 3.89Å
173	V	98.8	Very high	95.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.1	169.4	-173.5	0	0	0	0	108.2	V302 A306 V313 N314 F316 F318	V173-V302 HydrophobicContact CG1-CB 4.41Å; V173-V302 HydrophobicContact CG1-CG1 3.83Å; V173-A306 HydrophobicContact CG2-CB 3.46Å; V173-A306 VanDerWaalsContact CG2-CB 3.46Å; V173-V313 HydrophobicContact CG2-CG1 4.02Å; V173-N314 PolarHBondContact N-O 3.32Å; V173-F316 PolarHBondContact O-N 3.44Å; V173-F318 HydrophobicContact CB-CE2 4.46Å; V173-F318 HydrophobicContact CG1-CE2 3.78Å; V173-F318 HydrophobicContact CG1-CZ 3.69Å
174	V	98.8	Very high	95.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	105.2	-174.9	-168.4	0	0	0	0	109.6	A172 L180 I189 I195 M196 R197 F316	A172-V174 HydrophobicContact CB-CG2 4.41Å; V174-L180 HydrophobicContact CG1-CD1 3.91Å; V174-I189 HydrophobicContact CG1-CD1 4.41Å; V174-I189 HydrophobicContact CG2-CD1 4.22Å; V174-I189 HydrophobicContact CG2-CG1 4.39Å; V174-I189 HydrophobicContact CG2-CG2 3.72Å; V174-I195 HydrophobicContact CG2-CG2 4.14Å; V174-M196 PolarHBondContact N-O 2.85Å; V174-R197 HydrophobicContact CB-CG 4.31Å; V174-F316 CarbonylContact C-O 3.57Å; V174-F316 WeakPolarHBondContact CA-O 3.47Å
175	G	97.2	Very high	96.2	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	20%	0.195	C	C	.	.			trans	-75.6	-171.5	170.9	0	0	0	0	0	112.3	F316 G317	G175-F316 PolarHBondContact N-O 3.41Å; G175-G317 CarbonylContact C-O 3.29Å; G175-G317 VanDerWaalsContact C-O 3.28Å; G175-G317 WeakPolarHBondContact CA-O 3.49Å
176	N	95.7	Very high	96.4	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	17%	0.171	C	C	.	.			trans	-110.3	2.9	-170.1	-67.1	-14.8	0	0	0	114	A201 G317 H328 Y329 W330	N176-A201 WeakPolarHBondContact OD1-CB 3.44Å; N176-G317 PolarHBondContact N-O 3.48Å; N176-H328 VanDerWaalsContact O-CA 3.22Å; N176-H328 WeakPolarHBondContact O-CA 3.26Å; N176-Y329 WeakPolarHBondContact O-CD1 2.95Å; N176-Y329 PolarHBondContact O-N 3.43Å; N176-Y329 VanDerWaalsContact O-N 3.1Å; N176-W330 HydrophobicContact CB-CH2 3.64Å; N176-W330 HydrophobicContact CB-CZ3 3.58Å; N176-W330 VanDerWaalsContact CG-CH2 3.48Å
177	S	93.3	Very high	96.6	Very high	10 Å²	10	29 Å²	29	7%	0.07	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-61.3	141.7	-174.5	-174.7	0	0	0	0	112.5	N179 L180 G317 G319 H327	S177-N179 PolarHBondContact O-N 2.85Å; S177-N179 VanDerWaalsContact O-N 3.13Å; S177-N179 PolarHBondContact OG-N 2.94Å; S177-N179 PolarHBondContact OG-ND2 3.06Å; S177-L180 PolarHBondContact O-N 3.25Å; S177-G317 VanDerWaalsContact CB-C 3.48Å; S177-G317 WeakPolarHBondContact CB-O 3.27Å; S177-G317 PolarHBondContact N-O 2.93Å; S177-G319 WeakPolarHBondContact CB-O 3.35Å; S177-G319 PolarHBondContact OG-O 2.96Å; S177-H327 CarbonylContact C-O 3.58Å
178	G	92.3	Very high	96.8	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-59.6	-15.3	171.7	0	0	0	0	0	114.2	L180 R181 H327	G178-L180 PolarHBondContact O-N 2.8Å; G178-L180 VanDerWaalsContact O-N 3.09Å; G178-R181 WeakPolarHBondContact O-CB 3.45Å; G178-R181 WeakPolarHBondContact O-CG 3.46Å; G178-R181 PolarHBondContact O-N 3.04Å; G178-H327 PolarHBondContact N-O 3.07Å
179	N	93	Very high	96.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.9	-12.2	173.9	74.4	13.4	0	0	0	113.8	S177 R181 T183 G317 F318 A320 D321 T367 G368 K369	S177-N179 PolarHBondContact O-N 2.85Å; S177-N179 VanDerWaalsContact O-N 3.13Å; S177-N179 PolarHBondContact OG-N 2.94Å; S177-N179 PolarHBondContact OG-ND2 3.06Å; N179-R181 VanDerWaalsContact C-N 3.28Å; N179-T183 WeakPolarHBondContact O-CG2 3.46Å; N179-G317 VanDerWaalsContact OD1-CA 3.29Å; N179-G317 WeakPolarHBondContact OD1-CA 3.42Å; N179-F318 PolarHBondContact ND2-O 2.7Å; N179-A320 PolarHBondContact ND2-O 2.88Å; N179-A320 VanDerWaalsContact ND2-O 3.13Å; N179-D321 HydrophobicContact CB-CB 4.3Å; N179-T367 PolarHBondContact ND2-O 2.98Å; N179-G368 CarbonylContact O-C 3.58Å; N179-G368 WeakPolarHBondContact O-CA 3.38Å; N179-K369 VanDerWaalsContact CA-O 3.24Å; N179-K369 WeakPolarHBondContact CA-O 3.5Å; N179-K369 WeakPolarHBondContact CB-O 3.43Å; N179-K369 PolarHBondContact O-N 3.49Å
180	L	95.7	Very high	96.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-69.9	-22.9	170.4	-73.2	176.2	0	0	0	113.3	V174 S177 G178 G182 T183 Y185 D209 F316 Y329	V174-L180 HydrophobicContact CG1-CD1 3.91Å; S177-L180 PolarHBondContact O-N 3.25Å; G178-L180 PolarHBondContact O-N 2.8Å; G178-L180 VanDerWaalsContact O-N 3.09Å; L180-G182 PolarHBondContact O-N 3.35Å; L180-T183 WeakPolarHBondContact O-CB 3.39Å; L180-T183 VanDerWaalsContact O-CG2 3.25Å; L180-T183 WeakPolarHBondContact O-CG2 3.42Å; L180-T183 PolarHBondContact O-N 3.36Å; L180-T183 PolarHBondContact O-OG1 3.46Å; L180-Y185 HydrophobicContact CD2-CD2 4.2Å; L180-D209 VanDerWaalsContact O-CB 3.24Å; L180-D209 WeakPolarHBondContact O-CB 3.22Å; L180-F316 HydrophobicContact CD2-CB 4.05Å; L180-Y329 HydrophobicContact CB-CD1 4.48Å; L180-Y329 HydrophobicContact CB-CG 4.46Å; L180-Y329 HydrophobicContact CD1-CD1 3.72Å; L180-Y329 HydrophobicContact CD1-CE1 3.96Å; L180-Y329 HydrophobicContact CD1-CG 4.42Å
181	R	93.8	Very high	96.9	Very high	76 Å²	76	23.8 Å²	23.8	29%	0.287	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	130.1	-172.8	-71.8	-177.9	165.6	157.2	1.6	112.8	G178 N179 T183 D209 H328 Y329 W330 E331	G178-R181 WeakPolarHBondContact O-CB 3.45Å; G178-R181 WeakPolarHBondContact O-CG 3.46Å; G178-R181 PolarHBondContact O-N 3.04Å; N179-R181 VanDerWaalsContact C-N 3.28Å; R181-T183 PolarHBondContact O-N 2.91Å; R181-D209 WeakPolarHBondContact CA-OD2 3.3Å; R181-H328 PolarHBondContact NH2-O 3.43Å; R181-Y329 PolarHBondContact NE-O 2.94Å; R181-Y329 PolarHBondContact NH2-O 3.49Å; R181-W330 VanDerWaalsContact NH2-C 3.32Å; R181-E331 PolarHBondContact NH1-O 3.45Å; R181-E331 PolarHBondContact NH2-O 3.4Å
182	G	94.6	Very high	96.9	Very high	43 Å²	43	24.2 Å²	24.2	44%	0.443	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	21.3	179.8	0	0	0	0	0	113.9	L180 D209 K369	L180-G182 PolarHBondContact O-N 3.35Å; G182-D209 VanDerWaalsContact C-OD1 3.27Å; G182-D209 VanDerWaalsContact CA-OD1 3.25Å; G182-D209 WeakPolarHBondContact CA-OD1 3.47Å; G182-D209 PolarHBondContact N-OD1 2.9Å; G182-D209 VanDerWaalsContact N-OD1 3.07Å; G182-D209 PolarHBondContact N-OD2 3.14Å; G182-K369 VanDerWaalsContact O-CE 3.23Å; G182-K369 WeakPolarHBondContact O-CE 3.47Å; G182-K369 PolarHBondContact O-NZ 3.13Å
183	T	96.8	Very high	96.9	Very high	24 Å²	24	27.9 Å²	27.9	15%	0.147	20%	0.197	C	C	.	.			trans	-81.4	-28.9	179	56.4	0	0	0	0	112.8	N179 L180 R181 Y185 D209 K369	N179-T183 WeakPolarHBondContact O-CG2 3.46Å; L180-T183 WeakPolarHBondContact O-CB 3.39Å; L180-T183 VanDerWaalsContact O-CG2 3.25Å; L180-T183 WeakPolarHBondContact O-CG2 3.42Å; L180-T183 PolarHBondContact O-N 3.36Å; L180-T183 PolarHBondContact O-OG1 3.46Å; R181-T183 PolarHBondContact O-N 2.91Å; T183-Y185 VanDerWaalsContact CB-CD2 3.45Å; T183-Y185 HydrophobicContact CG2-CD2 3.87Å; T183-Y185 HydrophobicContact CG2-CE2 3.68Å; T183-Y185 PolarHBondContact O-N 2.87Å; T183-Y185 VanDerWaalsContact OG1-CD2 3.3Å; T183-Y185 WeakPolarHBondContact OG1-CD2 3.35Å; T183-Y185 PolarHBondContact OG1-N 3.29Å; T183-D209 PolarHBondContact N-OD1 3.15Å; T183-K369 HydrophobicContact CG2-CG 4.21Å
184	G	97.6	Very high	96.9	Very high	50 Å²	50	30.9 Å²	30.9	52%	0.515	21%	0.208	S	C	.	.			trans	70	16.6	-172.3	0	0	0	0	0	113.8	G186 D208 D209	G184-G186 PolarHBondContact O-N 2.73Å; G184-D208 CarbonylContact C-O 3.34Å; G184-D208 WeakPolarHBondContact CA-O 3.46Å; G184-D209 PolarHBondContact N-OD1 3.41Å
185	Y	98.5	Very high	96.9	Very high	56 Å²	56	30.8 Å²	30.8	22%	0.22	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.4	-177.6	-68.2	-30.1	0	0	0	114.5	L180 T183 A187 A188 I189 D208 F316 F366	L180-Y185 HydrophobicContact CD2-CD2 4.2Å; T183-Y185 VanDerWaalsContact CB-CD2 3.45Å; T183-Y185 HydrophobicContact CG2-CD2 3.87Å; T183-Y185 HydrophobicContact CG2-CE2 3.68Å; T183-Y185 PolarHBondContact O-N 2.87Å; T183-Y185 VanDerWaalsContact OG1-CD2 3.3Å; T183-Y185 WeakPolarHBondContact OG1-CD2 3.35Å; T183-Y185 PolarHBondContact OG1-N 3.29Å; Y185-A187 VanDerWaalsContact C-N 3.34Å; Y185-A187 PolarHBondContact O-N 3.3Å; Y185-A188 WeakPolarHBondContact O-CA 3.37Å; Y185-A188 WeakPolarHBondContact O-CB 3.34Å; Y185-A188 PolarHBondContact O-N 3.48Å; Y185-I189 WeakPolarHBondContact O-CG1 3.34Å; Y185-I189 PolarHBondContact O-N 2.99Å; Y185-D208 PolarHBondContact N-O 3.46Å; Y185-F316 AromaticContact CD2-CD1 3.91Å; Y185-F316 HydrophobicContact CD2-CD1 3.91Å; Y185-F316 HydrophobicContact CD2-CE1 4.47Å; Y185-F316 HydrophobicContact CG-CD1 4.12Å; Y185-F316 HydrophobicContact CG-CE1 4.29Å; Y185-F366 HydrophobicContact CD1-CD1 4.34Å; Y185-F366 HydrophobicContact CD2-CB 4.34Å; Y185-F366 AromaticContact CE1-CD1 3.99Å; Y185-F366 HydrophobicContact CE1-CD1 3.99Å; Y185-F366 HydrophobicContact CE2-CB 3.85Å
186	G	98.5	Very high	97	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-55.3	-44.2	-171.7	0	0	0	0	0	114.1	G184 I189 D190 E207 D208 D209 G211	G184-G186 PolarHBondContact O-N 2.73Å; G186-I189 PolarHBondContact O-N 3Å; G186-D190 WeakPolarHBondContact O-CB 3.25Å; G186-D190 PolarHBondContact O-N 2.79Å; G186-E207 WeakPolarHBondContact CA-O 3.26Å; G186-D208 WeakPolarHBondContact CA-O 3.38Å; G186-D208 PolarHBondContact N-O 2.89Å; G186-D209 PolarHBondContact N-O 3.47Å; G186-G211 VanDerWaalsContact CA-N 3.34Å
187	A	98.5	Very high	97.1	Very high	85 Å²	85	30.2 Å²	30.2	70%	0.702	20%	0.204	S	C	*	.	H	α-helix	trans	-66.7	-37.1	177	0	0	0	0	0	112.7	Y185 G191	Y185-A187 VanDerWaalsContact C-N 3.34Å; Y185-A187 PolarHBondContact O-N 3.3Å; A187-G191 PolarHBondContact O-N 2.72Å
188	A	98.6	Very high	97.3	Very high	45 Å²	45	30.2 Å²	30.2	37%	0.372	20%	0.203	S	C	.	.	H	α-helix	trans	-67.1	-44.7	176.6	0	0	0	0	0	111	Y185 G191 H192	Y185-A188 WeakPolarHBondContact O-CA 3.37Å; Y185-A188 WeakPolarHBondContact O-CB 3.34Å; Y185-A188 PolarHBondContact O-N 3.48Å; A188-G191 PolarHBondContact O-N 3.41Å; A188-H192 PolarHBondContact O-CE1 2.99Å; A188-H192 PolarHBondContact O-ND1 3.13Å
189	I	98.8	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-50.2	174.9	-68.8	167.3	0	0	0	110.1	A172 V174 Y185 G186 G191 H192 I195 F316	A172-I189 HydrophobicContact CB-CG2 4.28Å; V174-I189 HydrophobicContact CG1-CD1 4.41Å; V174-I189 HydrophobicContact CG2-CD1 4.22Å; V174-I189 HydrophobicContact CG2-CG1 4.39Å; V174-I189 HydrophobicContact CG2-CG2 3.72Å; Y185-I189 WeakPolarHBondContact O-CG1 3.34Å; Y185-I189 PolarHBondContact O-N 2.99Å; G186-I189 PolarHBondContact O-N 3Å; I189-G191 PolarHBondContact O-N 3.22Å; I189-G191 VanDerWaalsContact O-N 3.12Å; I189-H192 PolarHBondContact O-N 2.64Å; I189-H192 PolarHBondContact O-ND1 2.91Å; I189-I195 HydrophobicContact CG2-CG1 4.49Å; I189-I195 HydrophobicContact CG2-CG2 3.85Å; I189-F316 HydrophobicContact CD1-CB 4.19Å; I189-F316 HydrophobicContact CD1-CD1 4.07Å; I189-F316 HydrophobicContact CD1-CG 4.06Å; I189-F316 HydrophobicContact CG1-CB 4.43Å; I189-F316 HydrophobicContact CG1-CD1 3.76Å; I189-F316 HydrophobicContact CG1-CD2 3.95Å; I189-F316 HydrophobicContact CG1-CE1 3.88Å; I189-F316 HydrophobicContact CG1-CE2 4.08Å; I189-F316 HydrophobicContact CG1-CG 3.79Å; I189-F316 HydrophobicContact CG1-CZ 4.05Å
190	D	98.8	Very high	97.6	Very high	27 Å²	27	35.2 Å²	35.2	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-12.1	-177.3	-77	-10.1	0	0	0	114	G186 H192 R212 R213	G186-D190 WeakPolarHBondContact O-CB 3.25Å; G186-D190 PolarHBondContact O-N 2.79Å; D190-H192 VanDerWaalsContact C-N 3.29Å; D190-H192 PolarHBondContact O-N 2.7Å; D190-R212 VanDerWaalsContact CG-N 3.3Å; D190-R212 PolarHBondContact OD1-N 3.3Å; D190-R212 WeakPolarHBondContact OD2-CB 3.35Å; D190-R212 PolarHBondContact OD2-N 2.78Å; D190-R213 HydrophobicContact CB-CG 4.45Å; D190-R213 PolarHBondContact O-NH1 3.43Å; D190-R213 WeakPolarHBondContact OD1-CB 3.41Å; D190-R213 PolarHBondContact OD1-N 2.98Å
191	G	98.5	Very high	97.5	Very high	57 Å²	57	35.2 Å²	35.2	59%	0.588	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.3	174.5	0	0	0	0	0	115.3	A187 A188 I189	A187-G191 PolarHBondContact O-N 2.72Å; A188-G191 PolarHBondContact O-N 3.41Å; I189-G191 PolarHBondContact O-N 3.22Å; I189-G191 VanDerWaalsContact O-N 3.12Å
192	H	98.8	Very high	97.6	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.046	23%	0.225	C	C	.	.	S	Bend	trans	-88.4	155.6	-179.2	-64.2	73.9	0	0	0	112.3	C171 A172 A188 I189 D190 I195 N314	C171-H192 VanDerWaalsContact C-CD2 3.45Å; A172-H192 HydrophobicContact CB-CB 3.95Å; A188-H192 PolarHBondContact O-CE1 2.99Å; A188-H192 PolarHBondContact O-ND1 3.13Å; I189-H192 PolarHBondContact O-N 2.64Å; I189-H192 PolarHBondContact O-ND1 2.91Å; D190-H192 VanDerWaalsContact C-N 3.29Å; D190-H192 PolarHBondContact O-N 2.7Å; H192-I195 HydrophobicContact CB-CG1 4.19Å; H192-N314 WeakPolarHBondContact NE2-CB 3.46Å; H192-N314 PolarHBondContact NE2-ND2 3.09Å
193	D	98.3	Very high	97.7	Very high	77 Å²	77	32.6 Å²	32.6	41%	0.412	21%	0.213	S	C	.	.	S	Bend	trans	-69.5	-52	177	-58.3	-60.6	0	0	0	110.3	L169 R170 T215	L169-D193 HydrophobicContact CD1-CB 3.44Å; L169-D193 VanDerWaalsContact CD1-CB 3.44Å; L169-D193 HydrophobicContact CG-CB 4.41Å; R170-D193 PolarHBondContact N-OD2 3.29Å; R170-D193 WeakPolarHBondContact O-CB 3.48Å; R170-D193 PolarHBondContact O-N 2.86Å; D193-T215 WeakPolarHBondContact O-CG2 2.9Å
194	Y	98.6	Very high	97.7	Very high	65 Å²	65	36.9 Å²	36.9	26%	0.255	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.8	171.2	-63.5	-17.6	0	0	0	111.5	Y160 L169 R170 C171 A172 M196 T215 H216	Y160-Y194 HydrophobicContact CD1-CE2 4.29Å; Y160-Y194 AromaticContact CE1-CE2 3.98Å; Y160-Y194 HydrophobicContact CE1-CE2 3.98Å; L169-Y194 HydrophobicContact CD1-CD1 4.45Å; L169-Y194 HydrophobicContact CD1-CD2 4.37Å; L169-Y194 HydrophobicContact CD1-CE1 4.3Å; L169-Y194 HydrophobicContact CD1-CE2 4.23Å; L169-Y194 HydrophobicContact CD1-CG 4.48Å; L169-Y194 HydrophobicContact CD2-CD2 3.83Å; L169-Y194 HydrophobicContact CD2-CE2 3.53Å; L169-Y194 HydrophobicContact CG-CD2 4.41Å; L169-Y194 HydrophobicContact CG-CE2 4.4Å; R170-Y194 PolarHBondContact O-N 3.13Å; C171-Y194 CarbonylContact C-O 3.08Å; C171-Y194 VanDerWaalsContact CA-O 3.26Å; C171-Y194 WeakPolarHBondContact CA-O 3.23Å; A172-Y194 PolarHBondContact N-O 2.5Å; Y194-M196 HydrophobicContact CD2-CE 4.2Å; Y194-T215 WeakPolarHBondContact CA-OG1 3.31Å; Y194-H216 AromaticContact CD1-CE1 3.76Å; Y194-H216 AromaticContact CD2-CE1 3.76Å; Y194-H216 AromaticContact CE1-CE1 3.94Å; Y194-H216 AromaticContact CE2-CE1 3.91Å; Y194-H216 AromaticContact CG-CE1 3.69Å; Y194-H216 AromaticContact CG-ND1 3.92Å
195	I	98.9	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.4	173.5	-58	158.7	0	0	0	107.1	A172 V174 I189 H192 R197 R213 T215 H216	A172-I195 HydrophobicContact CB-CG1 4.39Å; A172-I195 WeakPolarHBondContact O-CA 3.35Å; V174-I195 HydrophobicContact CG2-CG2 4.14Å; I189-I195 HydrophobicContact CG2-CG1 4.49Å; I189-I195 HydrophobicContact CG2-CG2 3.85Å; H192-I195 HydrophobicContact CB-CG1 4.19Å; I195-R197 HydrophobicContact CG2-CG 4.47Å; I195-R213 HydrophobicContact CD1-CB 3.42Å; I195-R213 VanDerWaalsContact CD1-CB 3.42Å; I195-R213 WeakPolarHBondContact CG2-O 3.22Å; I195-T215 PolarHBondContact N-OG1 3.04Å; I195-T215 PolarHBondContact O-N 3.21Å; I195-T215 PolarHBondContact O-OG1 2.92Å; I195-H216 PolarHBondContact O-N 2.79Å
196	M	98.9	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.7	-174.6	-56.3	-168	-177.7	0	0	109.8	A172 V174 Y194 H216 F218 V302 F305 A306 V309	A172-M196 PolarHBondContact O-N 3.22Å; V174-M196 PolarHBondContact N-O 2.85Å; Y194-M196 HydrophobicContact CD2-CE 4.2Å; M196-H216 WeakPolarHBondContact CA-O 3.39Å; M196-H216 HydrophobicContact CG-CB 4.11Å; M196-F218 HydrophobicContact CB-CE2 3.98Å; M196-F218 HydrophobicContact CG-CE2 4.18Å; M196-F218 HydrophobicContact SD-CE2 4Å; M196-F218 HydrophobicContact SD-CZ 4.2Å; M196-V302 HydrophobicContact CB-CG1 3.79Å; M196-V302 HydrophobicContact SD-CG1 4.1Å; M196-F305 HydrophobicContact CE-CD1 4.07Å; M196-F305 HydrophobicContact CE-CE1 4.24Å; M196-F305 HydrophobicContact SD-CD1 4.06Å; M196-A306 HydrophobicContact CE-CB 4.18Å; M196-A306 HydrophobicContact SD-CB 3.85Å; M196-V309 HydrophobicContact CE-CG2 3.68Å
197	R	98.7	Very high	97.6	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.1	179.3	-60.8	-173.6	-171.3	-86.3	-1.8	111	V174 I195 A210 G211 R213 T214 H216 H217 F218	V174-R197 HydrophobicContact CB-CG 4.31Å; I195-R197 HydrophobicContact CG2-CG 4.47Å; R197-A210 PolarHBondContact NH1-O 3.35Å; R197-A210 PolarHBondContact NH2-O 3.09Å; R197-G211 PolarHBondContact NH2-O 2.82Å; R197-R213 PolarHBondContact NE-O 3.04Å; R197-R213 PolarHBondContact NH2-O 3.42Å; R197-T214 HydrophobicContact CB-CG2 4.24Å; R197-T214 VanDerWaalsContact CD-OG1 3.24Å; R197-T214 WeakPolarHBondContact CD-OG1 3.24Å; R197-T214 HydrophobicContact CG-CG2 4.02Å; R197-T214 PolarHBondContact NE-OG1 3.37Å; R197-H216 PolarHBondContact N-O 3.27Å; R197-H217 CarbonylContact O-C 3.28Å; R197-H217 WeakPolarHBondContact O-CA 3.34Å; R197-F218 PolarHBondContact O-N 3.13Å
198	I	97.7	Very high	97.6	Very high	11 Å²	11	42 Å²	42	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.3	-175.9	55.2	170.5	0	0	0	111.9	A201 F218 T298 V302	I198-A201 WeakPolarHBondContact O-CB 3.15Å; I198-F218 CarbonylContact C-O 3.6Å; I198-F218 WeakPolarHBondContact CA-O 3.16Å; I198-F218 HydrophobicContact CG2-CB 4.12Å; I198-T298 HydrophobicContact CB-CG2 4.13Å; I198-T298 HydrophobicContact CG2-CG2 3.9Å; I198-V302 HydrophobicContact CG2-CB 4.04Å; I198-V302 HydrophobicContact CG2-CG1 4.39Å; I198-V302 HydrophobicContact CG2-CG2 3.47Å; I198-V302 VanDerWaalsContact CG2-CG2 3.47Å
199	N	95.8	Very high	97.6	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.144	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-144.1	167	-57	0.2	0	0	0	112.9	A201 H217 F218 S223	N199-A201 VanDerWaalsContact C-N 3.31Å; N199-A201 PolarHBondContact O-N 3.43Å; N199-H217 PolarHBondContact O-NE2 3.45Å; N199-F218 PolarHBondContact N-O 3.48Å; N199-S223 VanDerWaalsContact CA-OG 3.3Å; N199-S223 WeakPolarHBondContact CA-OG 3.3Å; N199-S223 WeakPolarHBondContact CB-OG 3.46Å
200	L	95.3	Very high	97.5	Very high	84 Å²	84	41.2 Å²	41.2	44%	0.44	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.9	-176.7	-62.7	177.3	0	0	0	114.8	P202 K225	L200-P202 WeakPolarHBondContact O-CD 3.35Å; L200-P202 VanDerWaalsContact O-N 3.15Å; L200-K225 HydrophobicContact CD2-CB 4.11Å; L200-K225 HydrophobicContact CD2-CG 4.5Å
201	A	94.2	Very high	97.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	24%	0.236	C	C	.	.			trans	-46.8	111.1	-174.5	0	0	0	0	0	114	N176 I198 N199 K225 Y329 W330	N176-A201 WeakPolarHBondContact OD1-CB 3.44Å; I198-A201 WeakPolarHBondContact O-CB 3.15Å; N199-A201 VanDerWaalsContact C-N 3.31Å; N199-A201 PolarHBondContact O-N 3.43Å; A201-K225 PolarHBondContact O-NZ 2.97Å; A201-Y329 HydrophobicContact CB-CE1 4.47Å; A201-Y329 WeakPolarHBondContact CB-OH 3.42Å; A201-W330 HydrophobicContact CB-CH2 4.17Å; A201-W330 HydrophobicContact CB-CZ3 3.89Å
202	P	95.6	Very high	97.5	Very high	35 Å²	35	45.2 Å²	45.2	23%	0.227	24%	0.238	C	C	.	.			trans	-83.6	142.5	-179.9	33.5	-31.9	0	0	0	111.8	L200 Y206 Y329 W330	L200-P202 WeakPolarHBondContact O-CD 3.35Å; L200-P202 VanDerWaalsContact O-N 3.15Å; P202-Y206 HydrophobicContact CG-CD2 4.04Å; P202-Y206 HydrophobicContact CG-CE2 4.05Å; P202-Y329 HydrophobicContact CG-CE2 4.34Å; P202-Y329 VanDerWaalsContact O-CE2 3.26Å; P202-Y329 WeakPolarHBondContact O-CE2 3.25Å; P202-Y329 PolarHBondContact O-OH 3.17Å; P202-W330 VanDerWaalsContact CD-CG 3.5Å; P202-W330 HydrophobicContact CG-CB 3.42Å; P202-W330 VanDerWaalsContact CG-CB 3.42Å; P202-W330 HydrophobicContact CG-CD2 3.93Å; P202-W330 HydrophobicContact CG-CE3 4.29Å; P202-W330 HydrophobicContact CG-CG 3.55Å
203	T	96.6	Very high	97.4	Very high	28 Å²	28	50.6 Å²	50.6	17%	0.172	26%	0.258	C	S	.	.			trans	-96.6	-32.2	169.8	51.7	0	0	0	0	112	G205 Y206 E207 G211	T203-G205 PolarHBondContact O-N 2.96Å; T203-Y206 CarbonylContact O-C 3.55Å; T203-Y206 PolarHBondContact O-N 2.86Å; T203-E207 VanDerWaalsContact O-CD 3.31Å; T203-E207 PolarHBondContact O-N 3.11Å; T203-G211 WeakPolarHBondContact CB-O 3.33Å; T203-G211 WeakPolarHBondContact CG2-O 3.15Å
204	V	96.6	Very high	97.5	Very high	115 Å²	115	48.1 Å²	48.1	70%	0.697	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	124.4	-179.4	178.8	0	0	0	0	110.6	Y206 E207	V204-Y206 VanDerWaalsContact C-N 3.3Å; V204-E207 VanDerWaalsContact CA-OE1 3.29Å; V204-E207 WeakPolarHBondContact CA-OE1 3.26Å
205	G	96.9	Very high	97.5	Very high	58 Å²	58	46.2 Å²	46.2	60%	0.598	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	1.1	-174.8	0	0	0	0	0	114.9	T203 E207	T203-G205 PolarHBondContact O-N 2.96Å; G205-E207 VanDerWaalsContact C-OE2 3.28Å; G205-E207 WeakPolarHBondContact CA-OE2 3.44Å; G205-E207 VanDerWaalsContact N-CD 3.26Å; G205-E207 PolarHBondContact N-OE1 2.91Å; G205-E207 VanDerWaalsContact N-OE1 3.14Å; G205-E207 PolarHBondContact N-OE2 3.35Å
206	Y	97.6	Very high	97.5	Very high	67 Å²	67	46.5 Å²	46.5	26%	0.263	24%	0.242	S	C	.	.			trans	-131.5	18.2	179.2	-60.8	-79	0	0	0	111.8	P202 T203 V204 D208 D209 A210 Y329 W330	P202-Y206 HydrophobicContact CG-CD2 4.04Å; P202-Y206 HydrophobicContact CG-CE2 4.05Å; T203-Y206 CarbonylContact O-C 3.55Å; T203-Y206 PolarHBondContact O-N 2.86Å; V204-Y206 VanDerWaalsContact C-N 3.3Å; Y206-D208 VanDerWaalsContact C-N 3.31Å; Y206-D208 PolarHBondContact O-N 3.13Å; Y206-D209 PolarHBondContact O-N 3.45Å; Y206-A210 WeakPolarHBondContact O-CB 3.45Å; Y206-A210 PolarHBondContact O-N 3.37Å; Y206-Y329 AromaticContact CD1-CD2 3.89Å; Y206-Y329 HydrophobicContact CD1-CD2 3.89Å; Y206-Y329 HydrophobicContact CD1-CE2 4.41Å; Y206-Y329 HydrophobicContact CD2-CD2 4.36Å; Y206-Y329 HydrophobicContact CD2-CE2 4.16Å; Y206-Y329 HydrophobicContact CE1-CD2 4.42Å; Y206-Y329 WeakPolarHBondContact CE1-O 3.4Å; Y206-Y329 AromaticContact CG-CD2 3.87Å; Y206-Y329 HydrophobicContact CG-CD2 3.87Å; Y206-Y329 AromaticContact CG-CE2 3.92Å; Y206-Y329 HydrophobicContact CG-CE2 3.92Å; Y206-W330 HydrophobicContact CD2-CB 4.28Å; Y206-W330 HydrophobicContact CE1-CB 4.42Å; Y206-W330 HydrophobicContact CE2-CB 3.56Å; Y206-W330 VanDerWaalsContact CZ-CA 3.48Å; Y206-W330 WeakPolarHBondContact OH-CA 3.36Å; Y206-W330 PolarHBondContact OH-O 2.82Å
207	E	98.3	Very high	97.5	Very high	55 Å²	55	46.7 Å²	46.7	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-38.6	-170.3	-67.1	86.5	165.8	0	0	112.9	G186 T203 V204 G205 D209 G211 R212	G186-E207 WeakPolarHBondContact CA-O 3.26Å; T203-E207 VanDerWaalsContact O-CD 3.31Å; T203-E207 PolarHBondContact O-N 3.11Å; V204-E207 VanDerWaalsContact CA-OE1 3.29Å; V204-E207 WeakPolarHBondContact CA-OE1 3.26Å; G205-E207 VanDerWaalsContact C-OE2 3.28Å; G205-E207 WeakPolarHBondContact CA-OE2 3.44Å; G205-E207 VanDerWaalsContact N-CD 3.26Å; G205-E207 PolarHBondContact N-OE1 2.91Å; G205-E207 VanDerWaalsContact N-OE1 3.14Å; G205-E207 PolarHBondContact N-OE2 3.35Å; E207-D209 PolarHBondContact O-N 3.19Å; E207-G211 WeakPolarHBondContact O-CA 3.22Å; E207-G211 PolarHBondContact O-N 2.81Å; E207-R212 HydrophobicContact CB-CG 3.6Å; E207-R212 HydrophobicContact CG-CG 3.52Å
208	D	98.3	Very high	97.5	Very high	119 Å²	119	46.6 Å²	46.6	64%	0.636	24%	0.243	S	C	*	.	H	α-helix	trans	-66.9	-28.5	-177.6	-66	-15	0	0	0	111.8	G184 Y185 G186 Y206	G184-D208 CarbonylContact C-O 3.34Å; G184-D208 WeakPolarHBondContact CA-O 3.46Å; Y185-D208 PolarHBondContact N-O 3.46Å; G186-D208 WeakPolarHBondContact CA-O 3.38Å; G186-D208 PolarHBondContact N-O 2.89Å; Y206-D208 VanDerWaalsContact C-N 3.31Å; Y206-D208 PolarHBondContact O-N 3.13Å
209	D	98.1	Very high	97.5	Very high	28 Å²	28	46.1 Å²	46.1	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-100.1	-47.4	-176.7	-75	-31.5	0	0	0	112.6	L180 R181 G182 T183 G184 G186 Y206 E207	L180-D209 VanDerWaalsContact O-CB 3.24Å; L180-D209 WeakPolarHBondContact O-CB 3.22Å; R181-D209 WeakPolarHBondContact CA-OD2 3.3Å; G182-D209 VanDerWaalsContact C-OD1 3.27Å; G182-D209 VanDerWaalsContact CA-OD1 3.25Å; G182-D209 WeakPolarHBondContact CA-OD1 3.47Å; G182-D209 PolarHBondContact N-OD1 2.9Å; G182-D209 VanDerWaalsContact N-OD1 3.07Å; G182-D209 PolarHBondContact N-OD2 3.14Å; T183-D209 PolarHBondContact N-OD1 3.15Å; G184-D209 PolarHBondContact N-OD1 3.41Å; G186-D209 PolarHBondContact N-O 3.47Å; Y206-D209 PolarHBondContact O-N 3.45Å; E207-D209 PolarHBondContact O-N 3.19Å
210	A	98	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-102.1	-8.2	-171.9	0	0	0	0	0	113	R197 Y206 Y329	R197-A210 PolarHBondContact NH1-O 3.35Å; R197-A210 PolarHBondContact NH2-O 3.09Å; Y206-A210 WeakPolarHBondContact O-CB 3.45Å; Y206-A210 PolarHBondContact O-N 3.37Å; A210-Y329 HydrophobicContact CB-CE2 4.23Å
211	G	98.3	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.			trans	81.9	165.3	-177.1	0	0	0	0	0	113.4	G186 R197 T203 E207	G186-G211 VanDerWaalsContact CA-N 3.34Å; R197-G211 PolarHBondContact NH2-O 2.82Å; T203-G211 WeakPolarHBondContact CB-O 3.33Å; T203-G211 WeakPolarHBondContact CG2-O 3.15Å; E207-G211 WeakPolarHBondContact O-CA 3.22Å; E207-G211 PolarHBondContact O-N 2.81Å
212	R	97.8	Very high	97.8	Very high	169 Å²	169	45 Å²	45	64%	0.638	23%	0.23	S	C	*	.	S	Bend	trans	-98.6	-32.9	-176.9	-56.4	-170.7	176.6	179.3	-0.1	112.4	D190 E207	D190-R212 VanDerWaalsContact CG-N 3.3Å; D190-R212 PolarHBondContact OD1-N 3.3Å; D190-R212 WeakPolarHBondContact OD2-CB 3.35Å; D190-R212 PolarHBondContact OD2-N 2.78Å; E207-R212 HydrophobicContact CB-CG 3.6Å; E207-R212 HydrophobicContact CG-CG 3.52Å
213	R	98.1	Very high	97.8	Very high	123 Å²	123	43.8 Å²	43.8	46%	0.464	22%	0.223	S	C	.	.			trans	-85.3	149.1	-171.5	-66.9	172.7	60.9	-168.8	-2.6	110.7	D190 I195 R197	D190-R213 HydrophobicContact CB-CG 4.45Å; D190-R213 PolarHBondContact O-NH1 3.43Å; D190-R213 WeakPolarHBondContact OD1-CB 3.41Å; D190-R213 PolarHBondContact OD1-N 2.98Å; I195-R213 HydrophobicContact CD1-CB 3.42Å; I195-R213 VanDerWaalsContact CD1-CB 3.42Å; I195-R213 WeakPolarHBondContact CG2-O 3.22Å; R197-R213 PolarHBondContact NE-O 3.04Å; R197-R213 PolarHBondContact NH2-O 3.42Å
214	T	98.7	Very high	97.8	Very high	25 Å²	25	43 Å²	43	15%	0.153	22%	0.219	C	C	.	.			trans	-143	134.8	169.9	-53	0	0	0	0	106.8	R197 H217 V231	R197-T214 HydrophobicContact CB-CG2 4.24Å; R197-T214 VanDerWaalsContact CD-OG1 3.24Å; R197-T214 WeakPolarHBondContact CD-OG1 3.24Å; R197-T214 HydrophobicContact CG-CG2 4.02Å; R197-T214 PolarHBondContact NE-OG1 3.37Å; T214-H217 HydrophobicContact CG2-CB 4.28Å; T214-V231 HydrophobicContact CG2-CG1 3.9Å
215	T	98.7	Very high	97.8	Very high	24 Å²	24	40.1 Å²	40.1	15%	0.147	20%	0.197	C	C	.	.	S	Bend	trans	-112.9	-35.6	176.4	64.2	0	0	0	0	111.3	D193 Y194 I195 S232	D193-T215 WeakPolarHBondContact O-CG2 2.9Å; Y194-T215 WeakPolarHBondContact CA-OG1 3.31Å; I195-T215 PolarHBondContact N-OG1 3.04Å; I195-T215 PolarHBondContact O-N 3.21Å; I195-T215 PolarHBondContact O-OG1 2.92Å; T215-S232 WeakPolarHBondContact O-CB 3.19Å; T215-S232 PolarHBondContact O-N 3.35Å
216	H	98.8	Very high	97.8	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.032	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.7	179.9	-64	79.1	0	0	0	108	Y160 Y194 I195 M196 R197 F218 S232	Y160-H216 AromaticContact CE1-NE2 3.85Å; Y160-H216 AromaticContact CZ-NE2 3.84Å; Y160-H216 PolarHBondContact OH-CD2 3.07Å; Y160-H216 PolarHBondContact OH-NE2 2.93Å; Y194-H216 AromaticContact CD1-CE1 3.76Å; Y194-H216 AromaticContact CD2-CE1 3.76Å; Y194-H216 AromaticContact CE1-CE1 3.94Å; Y194-H216 AromaticContact CE2-CE1 3.91Å; Y194-H216 AromaticContact CG-CE1 3.69Å; Y194-H216 AromaticContact CG-ND1 3.92Å; I195-H216 PolarHBondContact O-N 2.79Å; M196-H216 WeakPolarHBondContact CA-O 3.39Å; M196-H216 HydrophobicContact CG-CB 4.11Å; R197-H216 PolarHBondContact N-O 3.27Å; H216-F218 HydrophobicContact CB-CE2 3.97Å; H216-S232 CarbonylContact C-O 3.57Å; H216-S232 WeakPolarHBondContact CA-O 3.46Å
217	H	98.8	Very high	97.8	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.5	174.9	-152.9	121.2	0	0	0	109.4	R197 N199 T214 M219 K225 L227 V231 S232 F233 V234	R197-H217 CarbonylContact O-C 3.28Å; R197-H217 WeakPolarHBondContact O-CA 3.34Å; N199-H217 PolarHBondContact O-NE2 3.45Å; T214-H217 HydrophobicContact CG2-CB 4.28Å; H217-M219 VanDerWaalsContact CD2-CG 3.45Å; H217-M219 WeakPolarHBondContact CD2-CG 3.43Å; H217-K225 WeakPolarHBondContact CE1-CE 3.43Å; H217-L227 HydrophobicContact CB-CD1 3.73Å; H217-L227 HydrophobicContact CB-CD2 3.83Å; H217-L227 HydrophobicContact CB-CG 4.46Å; H217-V231 HydrophobicContact CB-CG1 3.92Å; H217-S232 PolarHBondContact N-O 2.91Å; H217-F233 WeakPolarHBondContact O-CD2 3.27Å; H217-V234 PolarHBondContact O-N 3.24Å
218	F	98.8	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.8	-179.2	-65.8	-106.9	0	0	0	109.5	M196 R197 I198 N199 H216 V234 V236 F276 V302 F305	M196-F218 HydrophobicContact CB-CE2 3.98Å; M196-F218 HydrophobicContact CG-CE2 4.18Å; M196-F218 HydrophobicContact SD-CE2 4Å; M196-F218 HydrophobicContact SD-CZ 4.2Å; R197-F218 PolarHBondContact O-N 3.13Å; I198-F218 CarbonylContact C-O 3.6Å; I198-F218 WeakPolarHBondContact CA-O 3.16Å; I198-F218 HydrophobicContact CG2-CB 4.12Å; N199-F218 PolarHBondContact N-O 3.48Å; H216-F218 HydrophobicContact CB-CE2 3.97Å; F218-V234 VanDerWaalsContact CA-O 3.3Å; F218-V234 WeakPolarHBondContact CA-O 3.4Å; F218-V234 HydrophobicContact CD1-CB 3.52Å; F218-V234 HydrophobicContact CD1-CG1 3.61Å; F218-V234 HydrophobicContact CD1-CG2 4.23Å; F218-V234 HydrophobicContact CE1-CB 3.62Å; F218-V234 HydrophobicContact CE1-CG1 3.48Å; F218-V234 VanDerWaalsContact CE1-CG1 3.48Å; F218-V234 HydrophobicContact CE1-CG2 3.9Å; F218-V234 HydrophobicContact CE2-CG2 4.27Å; F218-V234 HydrophobicContact CG-CB 4Å; F218-V234 HydrophobicContact CZ-CB 4.13Å; F218-V234 HydrophobicContact CZ-CG1 4.31Å; F218-V234 HydrophobicContact CZ-CG2 3.91Å; F218-V236 HydrophobicContact CB-CG2 4.2Å; F218-V236 HydrophobicContact CD1-CG2 4.07Å; F218-F276 HydrophobicContact CD1-CD2 4.46Å; F218-F276 HydrophobicContact CE1-CD2 4.26Å; F218-V302 HydrophobicContact CB-CG2 3.63Å; F218-V302 HydrophobicContact CD1-CG2 3.44Å; F218-V302 VanDerWaalsContact CD1-CG2 3.44Å; F218-V302 HydrophobicContact CD2-CB 4.35Å; F218-V302 HydrophobicContact CD2-CG1 3.76Å; F218-V302 HydrophobicContact CD2-CG2 3.54Å; F218-V302 HydrophobicContact CE1-CG2 3.89Å; F218-V302 HydrophobicContact CE2-CB 4.46Å; F218-V302 HydrophobicContact CE2-CG1 3.61Å; F218-V302 HydrophobicContact CE2-CG2 4.02Å; F218-V302 HydrophobicContact CG-CB 4.44Å; F218-V302 HydrophobicContact CG-CG1 4.34Å; F218-V302 HydrophobicContact CG-CG2 3.25Å; F218-V302 HydrophobicContact CZ-CG1 4.03Å; F218-V302 HydrophobicContact CZ-CG2 4.16Å; F218-F305 HydrophobicContact CE1-CB 4.31Å; F218-F305 HydrophobicContact CE1-CD1 4.12Å; F218-F305 AromaticContact CE1-CD2 3.76Å; F218-F305 HydrophobicContact CE1-CD2 3.76Å; F218-F305 HydrophobicContact CE1-CE1 4.32Å; F218-F305 AromaticContact CE1-CE2 3.99Å; F218-F305 HydrophobicContact CE1-CE2 3.99Å; F218-F305 AromaticContact CE1-CG 3.82Å; F218-F305 HydrophobicContact CE1-CG 3.82Å; F218-F305 HydrophobicContact CE1-CZ 4.24Å; F218-F305 HydrophobicContact CZ-CB 4.31Å; F218-F305 AromaticContact CZ-CD1 3.57Å; F218-F305 HydrophobicContact CZ-CD1 3.57Å; F218-F305 HydrophobicContact CZ-CD2 4.08Å; F218-F305 AromaticContact CZ-CE1 3.73Å; F218-F305 HydrophobicContact CZ-CE1 3.73Å; F218-F305 HydrophobicContact CZ-CE2 4.23Å; F218-F305 AromaticContact CZ-CG 3.74Å; F218-F305 HydrophobicContact CZ-CG 3.74Å; F218-F305 HydrophobicContact CZ-CZ 4.03Å
219	M	98	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.3	-179.6	-50.1	178.2	-65.5	0	0	110.6	H217 A224 K225 L227 F233 V234 L235 V236	H217-M219 VanDerWaalsContact CD2-CG 3.45Å; H217-M219 WeakPolarHBondContact CD2-CG 3.43Å; M219-A224 HydrophobicContact CB-CB 4.49Å; M219-A224 HydrophobicContact SD-CB 4.47Å; M219-K225 WeakPolarHBondContact CE-O 3.48Å; M219-K225 HydrophobicContact SD-CG 3.77Å; M219-K225 PolarHBondContact SD-N 3.42Å; M219-L227 HydrophobicContact CE-CD1 3.7Å; M219-L227 HydrophobicContact CE-CD2 4.13Å; M219-L227 HydrophobicContact CE-CG 3.9Å; M219-L227 HydrophobicContact SD-CD2 4.18Å; M219-F233 HydrophobicContact CB-CE2 3.72Å; M219-F233 HydrophobicContact CB-CZ 4.44Å; M219-F233 HydrophobicContact CE-CD2 3.46Å; M219-F233 VanDerWaalsContact CE-CD2 3.46Å; M219-F233 HydrophobicContact CE-CE2 3.5Å; M219-F233 HydrophobicContact CE-CG 4.17Å; M219-F233 HydrophobicContact CE-CZ 4.16Å; M219-F233 HydrophobicContact CG-CE2 4.26Å; M219-V234 PolarHBondContact N-O 3.42Å; M219-V234 VanDerWaalsContact N-O 3.11Å; M219-L235 WeakPolarHBondContact O-CA 3.32Å; M219-V236 PolarHBondContact O-N 3.18Å
220	Y	98.1	Very high	97.3	Very high	48 Å²	48	40.3 Å²	40.3	19%	0.188	21%	0.209	C	C	.	.			trans	-132	164.2	169.4	51.6	-88.6	0	0	0	107.7	E222 S223 A224 V236 F238	Y220-E222 HydrophobicContact CD2-CB 4.13Å; Y220-E222 WeakPolarHBondContact CD2-OE2 3.41Å; Y220-E222 HydrophobicContact CE2-CB 4.1Å; Y220-E222 PolarHBondContact O-N 3.23Å; Y220-E222 VanDerWaalsContact O-N 3.09Å; Y220-S223 VanDerWaalsContact CE2-CB 3.45Å; Y220-S223 CarbonylContact O-C 3.57Å; Y220-S223 PolarHBondContact O-N 3.33Å; Y220-A224 PolarHBondContact O-N 2.97Å; Y220-A224 VanDerWaalsContact O-N 3.14Å; Y220-V236 WeakPolarHBondContact CB-O 3.37Å; Y220-F238 AromaticContact CD1-CE2 3.68Å; Y220-F238 HydrophobicContact CD1-CE2 3.68Å; Y220-F238 HydrophobicContact CD1-CZ 4.45Å; Y220-F238 HydrophobicContact CD2-CE2 4.41Å; Y220-F238 HydrophobicContact CE1-CE2 4.34Å; Y220-F238 HydrophobicContact CG-CD2 4.21Å; Y220-F238 AromaticContact CG-CE2 3.73Å; Y220-F238 HydrophobicContact CG-CE2 3.73Å
221	P	97.8	Very high	97.3	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.019	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-52.3	-40.9	-167.1	-27.1	33.6	0	0	0	114.5	S223 D242 W245 T258 V262	P221-S223 PolarHBondContact O-N 3.25Å; P221-D242 HydrophobicContact CG-CB 3.81Å; P221-D242 WeakPolarHBondContact CG-OD1 3.39Å; P221-W245 HydrophobicContact CB-CD2 3.64Å; P221-W245 HydrophobicContact CB-CE3 3.87Å; P221-W245 HydrophobicContact CB-CG 3.97Å; P221-W245 HydrophobicContact CB-CH2 4.48Å; P221-W245 HydrophobicContact CB-CZ2 4.34Å; P221-W245 HydrophobicContact CB-CZ3 4.27Å; P221-W245 HydrophobicContact CG-CB 4.23Å; P221-W245 HydrophobicContact CG-CD2 3.69Å; P221-W245 HydrophobicContact CG-CE3 3.5Å; P221-W245 HydrophobicContact CG-CG 4.03Å; P221-W245 HydrophobicContact CG-CZ3 4.07Å; P221-T258 HydrophobicContact CB-CG2 4.44Å; P221-V262 HydrophobicContact CB-CB 4.18Å; P221-V262 HydrophobicContact CB-CG1 3.67Å
222	E	96.2	Very high	97.3	Very high	38 Å²	38	41.7 Å²	41.7	18%	0.178	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-77.6	-6.7	-177.6	-57	87.1	172.6	0	0	113.6	Y220 K239 T258 Y259 A260 V262	Y220-E222 HydrophobicContact CD2-CB 4.13Å; Y220-E222 WeakPolarHBondContact CD2-OE2 3.41Å; Y220-E222 HydrophobicContact CE2-CB 4.1Å; Y220-E222 PolarHBondContact O-N 3.23Å; Y220-E222 VanDerWaalsContact O-N 3.09Å; E222-K239 WeakPolarHBondContact OE1-CE 3.27Å; E222-K239 IonicContact OE1-NZ 3.9Å; E222-K239 PolarHBondContact OE1-NZ 2.94Å; E222-K239 IonicContact OE2-NZ 2.86Å; E222-T258 WeakPolarHBondContact CG-OG1 3.23Å; E222-T258 WeakPolarHBondContact OE1-CB 3.45Å; E222-T258 PolarHBondContact OE1-OG1 3.03Å; E222-Y259 HydrophobicContact CG-CE1 3.84Å; E222-Y259 HydrophobicContact CG-CE2 4.03Å; E222-Y259 WeakPolarHBondContact OE1-CE1 3.39Å; E222-A260 HydrophobicContact CG-CB 4.29Å; E222-V262 HydrophobicContact CG-CG1 4.09Å
223	S	95.3	Very high	97.4	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.07	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-133.9	30.2	-179.2	-161.4	0	0	0	0	111.5	N199 Y220 P221	N199-S223 VanDerWaalsContact CA-OG 3.3Å; N199-S223 WeakPolarHBondContact CA-OG 3.3Å; N199-S223 WeakPolarHBondContact CB-OG 3.46Å; Y220-S223 VanDerWaalsContact CE2-CB 3.45Å; Y220-S223 CarbonylContact O-C 3.57Å; Y220-S223 PolarHBondContact O-N 3.33Å; P221-S223 PolarHBondContact O-N 3.25Å
224	A	96.6	Very high	97.4	Very high	12 Å²	12	27.8 Å²	27.8	10%	0.099	17%	0.165	C	C	.	.			trans	-94.7	141.4	-175.6	0	0	0	0	0	112.8	M219 Y220 W245 K263 L266	M219-A224 HydrophobicContact CB-CB 4.49Å; M219-A224 HydrophobicContact SD-CB 4.47Å; Y220-A224 PolarHBondContact O-N 2.97Å; Y220-A224 VanDerWaalsContact O-N 3.14Å; A224-W245 HydrophobicContact CB-CH2 3.62Å; A224-W245 HydrophobicContact CB-CZ2 3.99Å; A224-K263 WeakPolarHBondContact O-CD 3.49Å; A224-L266 HydrophobicContact CB-CD1 4.42Å
225	K	96.6	Very high	97.4	Very high	54 Å²	54	26.6 Å²	26.6	24%	0.235	16%	0.158	C	C	.	.			trans	-134	163.2	170.1	62.3	175.4	-179.6	177.4	0	110.7	L200 A201 H217 M219 L227 L266	L200-K225 HydrophobicContact CD2-CB 4.11Å; L200-K225 HydrophobicContact CD2-CG 4.5Å; A201-K225 PolarHBondContact O-NZ 2.97Å; H217-K225 WeakPolarHBondContact CE1-CE 3.43Å; M219-K225 WeakPolarHBondContact CE-O 3.48Å; M219-K225 HydrophobicContact SD-CG 3.77Å; M219-K225 PolarHBondContact SD-N 3.42Å; K225-L227 HydrophobicContact CG-CD2 4.12Å; K225-L266 WeakPolarHBondContact O-CD1 3.21Å
226	N	97.6	Very high	97.4	Very high	66 Å²	66	25.4 Å²	25.4	35%	0.353	15%	0.151	S	C	.	.			trans	-66.7	145.7	171.2	-65.2	-28.9	0	0	0	109.3	K263 R267	N226-K263 WeakPolarHBondContact OD1-CE 3.34Å; N226-R267 WeakPolarHBondContact CA-O 3.3Å; N226-R267 HydrophobicContact CB-CB 4.07Å; N226-R267 PolarHBondContact OD1-N 2.91Å
227	L	97.5	Very high	97.3	Very high	23 Å²	23	25.1 Å²	25.1	12%	0.12	15%	0.15	C	C	.	.			trans	-119.6	156.2	178.4	-52.7	175.1	0	0	0	110.2	H217 M219 K225 V231 F233 R267 V268	H217-L227 HydrophobicContact CB-CD1 3.73Å; H217-L227 HydrophobicContact CB-CD2 3.83Å; H217-L227 HydrophobicContact CB-CG 4.46Å; M219-L227 HydrophobicContact CE-CD1 3.7Å; M219-L227 HydrophobicContact CE-CD2 4.13Å; M219-L227 HydrophobicContact CE-CG 3.9Å; M219-L227 HydrophobicContact SD-CD2 4.18Å; K225-L227 HydrophobicContact CG-CD2 4.12Å; L227-V231 HydrophobicContact CB-CB 4.15Å; L227-V231 HydrophobicContact CB-CG1 4.36Å; L227-V231 HydrophobicContact CD1-CG1 4.02Å; L227-F233 HydrophobicContact CD1-CB 3.87Å; L227-F233 HydrophobicContact CD1-CD2 4.3Å; L227-F233 HydrophobicContact CD1-CG 4.32Å; L227-R267 PolarHBondContact N-O 3.01Å; L227-V268 HydrophobicContact CB-CG1 4.01Å; L227-V268 HydrophobicContact CD1-CG1 3.92Å; L227-V268 HydrophobicContact CG-CG1 3.93Å
228	A	95.9	Very high	97.2	Very high	59 Å²	59	25.4 Å²	25.4	49%	0.488	15%	0.151	S	C	.	.			trans	-64.7	150.2	170.3	0	0	0	0	0	110.2	N230 V231	A228-N230 WeakPolarHBondContact CB-OD1 3.29Å; A228-N230 PolarHBondContact O-N 3.34Å; A228-N230 VanDerWaalsContact O-N 3.09Å; A228-V231 HydrophobicContact CB-CG2 4.1Å; A228-V231 WeakPolarHBondContact O-CB 3.11Å; A228-V231 PolarHBondContact O-N 3.36Å
229	A	93.6	Very high	97	Very high	70 Å²	70	25.7 Å²	25.7	58%	0.579	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.9	-174.1	0	0	0	0	0	113.9	V231 D269 K272	A229-V231 VanDerWaalsContact C-N 3.33Å; A229-D269 VanDerWaalsContact O-CB 3.25Å; A229-D269 WeakPolarHBondContact O-CB 3.36Å; A229-K272 PolarHBondContact O-NZ 3.49Å
230	N	94.1	Very high	96.8	Very high	113 Å²	113	26.2 Å²	26.2	60%	0.604	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.3	177.5	65.5	-28.2	0	0	0	114.2	A228	A228-N230 WeakPolarHBondContact CB-OD1 3.29Å; A228-N230 PolarHBondContact O-N 3.34Å; A228-N230 VanDerWaalsContact O-N 3.09Å
231	V	98.2	Very high	96.7	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.055	15%	0.154	C	C	.	.	S	Bend	trans	-93.5	125.5	-177	-177.5	0	0	0	0	110.3	T214 H217 L227 A228 A229 F233	T214-V231 HydrophobicContact CG2-CG1 3.9Å; H217-V231 HydrophobicContact CB-CG1 3.92Å; L227-V231 HydrophobicContact CB-CB 4.15Å; L227-V231 HydrophobicContact CB-CG1 4.36Å; L227-V231 HydrophobicContact CD1-CG1 4.02Å; A228-V231 HydrophobicContact CB-CG2 4.1Å; A228-V231 WeakPolarHBondContact O-CB 3.11Å; A228-V231 PolarHBondContact O-N 3.36Å; A229-V231 VanDerWaalsContact C-N 3.33Å; V231-F233 PolarHBondContact O-N 3Å
232	S	98.6	Very high	96.6	Very high	19 Å²	19	25.2 Å²	25.2	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.5	170.2	-63.7	0	0	0	0	110.7	T215 H216 H217 K272	T215-S232 WeakPolarHBondContact O-CB 3.19Å; T215-S232 PolarHBondContact O-N 3.35Å; H216-S232 CarbonylContact C-O 3.57Å; H216-S232 WeakPolarHBondContact CA-O 3.46Å; H217-S232 PolarHBondContact N-O 2.91Å; S232-K272 WeakPolarHBondContact CA-O 3.22Å
233	F	98.6	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.7	174	173.8	-142.1	0	0	0	109.7	H217 M219 L227 V231 L235 W245 I246 L266 V268 K272 V273 Q274	H217-F233 WeakPolarHBondContact O-CD2 3.27Å; M219-F233 HydrophobicContact CB-CE2 3.72Å; M219-F233 HydrophobicContact CB-CZ 4.44Å; M219-F233 HydrophobicContact CE-CD2 3.46Å; M219-F233 VanDerWaalsContact CE-CD2 3.46Å; M219-F233 HydrophobicContact CE-CE2 3.5Å; M219-F233 HydrophobicContact CE-CG 4.17Å; M219-F233 HydrophobicContact CE-CZ 4.16Å; M219-F233 HydrophobicContact CG-CE2 4.26Å; L227-F233 HydrophobicContact CD1-CB 3.87Å; L227-F233 HydrophobicContact CD1-CD2 4.3Å; L227-F233 HydrophobicContact CD1-CG 4.32Å; V231-F233 PolarHBondContact O-N 3Å; F233-L235 HydrophobicContact CE1-CB 4.2Å; F233-L235 HydrophobicContact CE2-CB 4.35Å; F233-L235 HydrophobicContact CZ-CB 3.78Å; F233-L235 HydrophobicContact CZ-CD1 3.88Å; F233-L235 HydrophobicContact CZ-CG 4.45Å; F233-W245 HydrophobicContact CZ-CZ3 4.44Å; F233-I246 HydrophobicContact CD1-CD1 4.27Å; F233-I246 HydrophobicContact CE1-CD1 3.57Å; F233-I246 HydrophobicContact CE1-CG1 4.2Å; F233-L266 HydrophobicContact CD1-CD2 3.95Å; F233-L266 HydrophobicContact CE1-CD2 3.64Å; F233-L266 HydrophobicContact CZ-CD2 4.32Å; F233-V268 HydrophobicContact CB-CB 4.36Å; F233-V268 HydrophobicContact CB-CG1 4.16Å; F233-V268 HydrophobicContact CD1-CG1 4.36Å; F233-V268 HydrophobicContact CD1-CG2 4.21Å; F233-V268 HydrophobicContact CG-CG1 4.34Å; F233-K272 PolarHBondContact N-O 3.21Å; F233-V273 HydrophobicContact CB-CG2 4.36Å; F233-V273 HydrophobicContact CD1-CG1 4.02Å; F233-V273 HydrophobicContact CD1-CG2 4.13Å; F233-V273 CarbonylContact O-C 3.55Å; F233-V273 WeakPolarHBondContact O-CA 3.4Å; F233-Q274 PolarHBondContact O-N 2.58Å
234	V	98.7	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.5	171.9	-168.8	0	0	0	0	109.2	H217 F218 M219 Q274 F276 F305	H217-V234 PolarHBondContact O-N 3.24Å; F218-V234 VanDerWaalsContact CA-O 3.3Å; F218-V234 WeakPolarHBondContact CA-O 3.4Å; F218-V234 HydrophobicContact CD1-CB 3.52Å; F218-V234 HydrophobicContact CD1-CG1 3.61Å; F218-V234 HydrophobicContact CD1-CG2 4.23Å; F218-V234 HydrophobicContact CE1-CB 3.62Å; F218-V234 HydrophobicContact CE1-CG1 3.48Å; F218-V234 VanDerWaalsContact CE1-CG1 3.48Å; F218-V234 HydrophobicContact CE1-CG2 3.9Å; F218-V234 HydrophobicContact CE2-CG2 4.27Å; F218-V234 HydrophobicContact CG-CB 4Å; F218-V234 HydrophobicContact CZ-CB 4.13Å; F218-V234 HydrophobicContact CZ-CG1 4.31Å; F218-V234 HydrophobicContact CZ-CG2 3.91Å; M219-V234 PolarHBondContact N-O 3.42Å; M219-V234 VanDerWaalsContact N-O 3.11Å; V234-Q274 WeakPolarHBondContact CA-O 3.43Å; V234-Q274 HydrophobicContact CG1-CB 4.3Å; V234-Q274 HydrophobicContact CG2-CB 4.23Å; V234-F276 HydrophobicContact CG1-CB 4.42Å; V234-F305 HydrophobicContact CG1-CE2 4.31Å
235	L	98.7	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.2	174.1	177.6	69.1	0	0	0	109.2	M219 F233 P237 L243 W245 I246 Q274 I275 F276	M219-L235 WeakPolarHBondContact O-CA 3.32Å; F233-L235 HydrophobicContact CE1-CB 4.2Å; F233-L235 HydrophobicContact CE2-CB 4.35Å; F233-L235 HydrophobicContact CZ-CB 3.78Å; F233-L235 HydrophobicContact CZ-CD1 3.88Å; F233-L235 HydrophobicContact CZ-CG 4.45Å; L235-P237 HydrophobicContact CD2-CB 4.46Å; L235-P237 VanDerWaalsContact O-CD 3.32Å; L235-P237 WeakPolarHBondContact O-CD 3.25Å; L235-L243 HydrophobicContact CD2-CD2 4.18Å; L235-W245 HydrophobicContact CD1-CE3 4.36Å; L235-W245 HydrophobicContact CD1-CZ3 4.02Å; L235-I246 HydrophobicContact CD2-CB 3.9Å; L235-I246 HydrophobicContact CD2-CG2 3.57Å; L235-Q274 PolarHBondContact N-O 3.06Å; L235-I275 HydrophobicContact CB-CD1 3.94Å; L235-I275 HydrophobicContact CD2-CD1 3.94Å; L235-F276 VanDerWaalsContact O-CB 3.25Å; L235-F276 WeakPolarHBondContact O-CB 3.45Å; L235-F276 PolarHBondContact O-N 3.06Å
236	V	98.6	Very high	96.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.135	C	C	.	.			trans	-100.8	101.2	169.4	-174.7	0	0	0	0	108.5	F218 M219 Y220 F238 F276 L301	F218-V236 HydrophobicContact CB-CG2 4.2Å; F218-V236 HydrophobicContact CD1-CG2 4.07Å; M219-V236 PolarHBondContact O-N 3.18Å; Y220-V236 WeakPolarHBondContact CB-O 3.37Å; V236-F238 HydrophobicContact CB-CE2 4.19Å; V236-F238 HydrophobicContact CB-CZ 4.47Å; V236-F238 HydrophobicContact CG1-CE1 4.32Å; V236-F238 HydrophobicContact CG1-CE2 3.79Å; V236-F238 HydrophobicContact CG1-CZ 3.66Å; V236-F238 WeakPolarHBondContact O-CD2 3.32Å; V236-F238 WeakPolarHBondContact O-CE2 3.35Å; V236-F276 HydrophobicContact CG2-CB 4.31Å; V236-F276 HydrophobicContact CG2-CD2 4.36Å; V236-F276 HydrophobicContact CG2-CG 4.48Å; V236-L301 HydrophobicContact CG1-CD1 3.7Å
237	P	97.2	Very high	96.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	13%	0.126	C	C	.	.			trans	-90.2	122.5	-174.2	37.7	-34.9	0	0	0	110.5	W131 L235 D242 L243 I275 F276	W131-P237 HydrophobicContact CZ2-CB 3.98Å; W131-P237 HydrophobicContact CZ2-CG 4.24Å; W131-P237 PolarHBondContact NE1-O 3.04Å; L235-P237 HydrophobicContact CD2-CB 4.46Å; L235-P237 VanDerWaalsContact O-CD 3.32Å; L235-P237 WeakPolarHBondContact O-CD 3.25Å; P237-D242 HydrophobicContact CB-CB 4.07Å; P237-L243 HydrophobicContact CB-CD2 3.87Å; P237-L243 HydrophobicContact CB-CG 4.21Å; P237-L243 HydrophobicContact CG-CD2 4.12Å; P237-I275 HydrophobicContact CG-CG2 4.09Å; P237-F276 WeakPolarHBondContact CD-O 3.47Å
238	F	96.1	Very high	96.6	Very high	9 Å²	9	18.8 Å²	18.8	4%	0.039	12%	0.123	C	C	.	.	S	Bend	trans	-99.2	-11.3	176.3	-61.8	-85.7	0	0	0	112.6	Q135 Y220 V236 D242 F281 Y295	Q135-F238 HydrophobicContact CG-CB 4.46Å; Y220-F238 AromaticContact CD1-CE2 3.68Å; Y220-F238 HydrophobicContact CD1-CE2 3.68Å; Y220-F238 HydrophobicContact CD1-CZ 4.45Å; Y220-F238 HydrophobicContact CD2-CE2 4.41Å; Y220-F238 HydrophobicContact CE1-CE2 4.34Å; Y220-F238 HydrophobicContact CG-CD2 4.21Å; Y220-F238 AromaticContact CG-CE2 3.73Å; Y220-F238 HydrophobicContact CG-CE2 3.73Å; V236-F238 HydrophobicContact CB-CE2 4.19Å; V236-F238 HydrophobicContact CB-CZ 4.47Å; V236-F238 HydrophobicContact CG1-CE1 4.32Å; V236-F238 HydrophobicContact CG1-CE2 3.79Å; V236-F238 HydrophobicContact CG1-CZ 3.66Å; V236-F238 WeakPolarHBondContact O-CD2 3.32Å; V236-F238 WeakPolarHBondContact O-CE2 3.35Å; F238-D242 PolarHBondContact N-OD2 3.07Å; F238-F281 AromaticContact CD1-CE1 3.7Å; F238-F281 HydrophobicContact CD1-CE1 3.7Å; F238-F281 AromaticContact CD1-CZ 3.9Å; F238-F281 HydrophobicContact CD1-CZ 3.9Å; F238-F281 AromaticContact CE1-CE1 3.73Å; F238-F281 HydrophobicContact CE1-CE1 3.73Å; F238-F281 AromaticContact CE1-CZ 3.65Å; F238-F281 HydrophobicContact CE1-CZ 3.65Å; F238-Y295 HydrophobicContact CD1-CD2 4.17Å; F238-Y295 AromaticContact CD1-CE2 3.82Å; F238-Y295 HydrophobicContact CD1-CE2 3.82Å; F238-Y295 AromaticContact CE1-CD2 3.96Å; F238-Y295 HydrophobicContact CE1-CD2 3.96Å; F238-Y295 AromaticContact CE1-CE2 3.72Å; F238-Y295 HydrophobicContact CE1-CE2 3.72Å
239	K	94.6	Very high	96.7	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.022	10%	0.1	C	C	.	.	S	Bend	trans	-155.3	158.2	178.4	50.2	-173.6	175.7	-54.8	0	110.4	W131 Q135 Q137 E222 L241 D242	W131-K239 VanDerWaalsContact CH2-C 3.4Å; Q135-K239 HydrophobicContact CB-CB 4.16Å; Q135-K239 HydrophobicContact CB-CD 4.26Å; Q137-K239 HydrophobicContact CG-CB 4.24Å; E222-K239 WeakPolarHBondContact OE1-CE 3.27Å; E222-K239 IonicContact OE1-NZ 3.9Å; E222-K239 PolarHBondContact OE1-NZ 2.94Å; E222-K239 IonicContact OE2-NZ 2.86Å; K239-L241 HydrophobicContact CD-CB 4.2Å; K239-L241 HydrophobicContact CG-CB 4.2Å; K239-L241 PolarHBondContact O-N 2.92Å; K239-L241 VanDerWaalsContact O-N 3.14Å; K239-D242 WeakPolarHBondContact CE-OD1 3.4Å; K239-D242 VanDerWaalsContact CG-CG 3.47Å; K239-D242 WeakPolarHBondContact CG-OD1 3.36Å; K239-D242 WeakPolarHBondContact CG-OD2 3.35Å; K239-D242 PolarHBondContact N-OD2 3.26Å; K239-D242 VanDerWaalsContact N-OD2 3.15Å; K239-D242 IonicContact NZ-OD1 3.61Å; K239-D242 PolarHBondContact NZ-OD1 2.82Å; K239-D242 IonicContact NZ-OD2 3.92Å; K239-D242 WeakPolarHBondContact O-CB 3.46Å; K239-D242 PolarHBondContact O-N 3.4Å
240	T	94.3	Very high	96.8	Very high	12 Å²	12	13.3 Å²	13.3	7%	0.074	8%	0.076	C	C	.	.	H	α-helix	trans	-58.2	-30.3	177.3	-42.6	0	0	0	0	113.2	W131 H141 I143 D242 L243 V244	W131-T240 VanDerWaalsContact CH2-N 3.31Å; W131-T240 WeakPolarHBondContact CZ3-OG1 3.47Å; H141-T240 HydrophobicContact CB-CG2 3.69Å; I143-T240 HydrophobicContact CG1-CG2 3.86Å; T240-D242 PolarHBondContact O-N 3.1Å; T240-L243 WeakPolarHBondContact O-CB 3.48Å; T240-L243 PolarHBondContact O-N 2.76Å; T240-L243 VanDerWaalsContact O-N 3.15Å; T240-V244 PolarHBondContact O-N 3.1Å
241	L	95.4	Very high	96.8	Very high	29 Å²	29	10.8 Å²	10.8	15%	0.152	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-26.9	176.5	-174.1	57.4	0	0	0	112.6	K239 L243 V244 W245 I255 T258	K239-L241 HydrophobicContact CD-CB 4.2Å; K239-L241 HydrophobicContact CG-CB 4.2Å; K239-L241 PolarHBondContact O-N 2.92Å; K239-L241 VanDerWaalsContact O-N 3.14Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-V244 HydrophobicContact CD1-CB 4.41Å; L241-V244 PolarHBondContact O-N 3.03Å; L241-W245 VanDerWaalsContact O-CB 3.31Å; L241-W245 WeakPolarHBondContact O-CB 3.37Å; L241-W245 PolarHBondContact O-N 3.11Å; L241-I255 HydrophobicContact CD1-CD1 4.44Å; L241-T258 HydrophobicContact CD2-CG2 3.8Å; L241-T258 HydrophobicContact CG-CG2 4.13Å
242	D	96.9	Very high	96.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.9	-36	178.2	-56.1	-19.7	0	0	0	111.2	P221 P237 F238 K239 T240 W245 I246	P221-D242 HydrophobicContact CG-CB 3.81Å; P221-D242 WeakPolarHBondContact CG-OD1 3.39Å; P237-D242 HydrophobicContact CB-CB 4.07Å; F238-D242 PolarHBondContact N-OD2 3.07Å; K239-D242 WeakPolarHBondContact CE-OD1 3.4Å; K239-D242 VanDerWaalsContact CG-CG 3.47Å; K239-D242 WeakPolarHBondContact CG-OD1 3.36Å; K239-D242 WeakPolarHBondContact CG-OD2 3.35Å; K239-D242 PolarHBondContact N-OD2 3.26Å; K239-D242 VanDerWaalsContact N-OD2 3.15Å; K239-D242 IonicContact NZ-OD1 3.61Å; K239-D242 PolarHBondContact NZ-OD1 2.82Å; K239-D242 IonicContact NZ-OD2 3.92Å; K239-D242 WeakPolarHBondContact O-CB 3.46Å; K239-D242 PolarHBondContact O-N 3.4Å; T240-D242 PolarHBondContact O-N 3.1Å; D242-W245 PolarHBondContact O-N 3.41Å; D242-I246 PolarHBondContact O-N 3.47Å
243	L	96.4	Very high	96.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.9	-39.8	175	-59	175	0	0	0	111.6	W116 W131 I143 V146 L147 L150 L235 P237 T240 L241 W245 I246 T247 I275	W116-L243 HydrophobicContact CZ3-CD1 3.95Å; W131-L243 HydrophobicContact CH2-CD1 4.1Å; I143-L243 HydrophobicContact CG2-CD1 4.39Å; V146-L243 HydrophobicContact CG1-CB 3.63Å; L147-L243 HydrophobicContact CD2-CD1 4.02Å; L147-L243 HydrophobicContact CD2-CD2 4.24Å; L147-L243 HydrophobicContact CG-CD1 4.36Å; L150-L243 HydrophobicContact CD2-CD2 4.29Å; L235-L243 HydrophobicContact CD2-CD2 4.18Å; P237-L243 HydrophobicContact CB-CD2 3.87Å; P237-L243 HydrophobicContact CB-CG 4.21Å; P237-L243 HydrophobicContact CG-CD2 4.12Å; T240-L243 WeakPolarHBondContact O-CB 3.48Å; T240-L243 PolarHBondContact O-N 2.76Å; T240-L243 VanDerWaalsContact O-N 3.15Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L243-W245 VanDerWaalsContact C-N 3.35Å; L243-I246 WeakPolarHBondContact O-CG2 3.44Å; L243-T247 PolarHBondContact O-N 2.97Å; L243-T247 PolarHBondContact O-OG1 2.96Å; L243-I275 HydrophobicContact CD2-CG2 3.71Å
244	V	95.8	Very high	96.4	Very high	34 Å²	34	20.3 Å²	20.3	21%	0.206	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-41.6	174.2	178.9	0	0	0	0	110.2	V146 T240 L241 T247 S248 I255	V146-V244 HydrophobicContact CG1-CG2 3.97Å; V146-V244 HydrophobicContact CG2-CG2 3.98Å; T240-V244 PolarHBondContact O-N 3.1Å; L241-V244 HydrophobicContact CD1-CB 4.41Å; L241-V244 PolarHBondContact O-N 3.03Å; V244-T247 PolarHBondContact O-N 2.61Å; V244-S248 WeakPolarHBondContact O-CB 3.32Å; V244-S248 PolarHBondContact O-N 3.44Å; V244-I255 HydrophobicContact CG1-CD1 4.31Å; V244-I255 HydrophobicContact CG1-CG1 4.24Å
245	W	97.1	Very high	96.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-49.4	176.6	168.9	76.8	0	0	0	111.2	P221 A224 F233 L235 L241 D242 L243 T247 S248 A249 I255 K263 L266	P221-W245 HydrophobicContact CB-CD2 3.64Å; P221-W245 HydrophobicContact CB-CE3 3.87Å; P221-W245 HydrophobicContact CB-CG 3.97Å; P221-W245 HydrophobicContact CB-CH2 4.48Å; P221-W245 HydrophobicContact CB-CZ2 4.34Å; P221-W245 HydrophobicContact CB-CZ3 4.27Å; P221-W245 HydrophobicContact CG-CB 4.23Å; P221-W245 HydrophobicContact CG-CD2 3.69Å; P221-W245 HydrophobicContact CG-CE3 3.5Å; P221-W245 HydrophobicContact CG-CG 4.03Å; P221-W245 HydrophobicContact CG-CZ3 4.07Å; A224-W245 HydrophobicContact CB-CH2 3.62Å; A224-W245 HydrophobicContact CB-CZ2 3.99Å; F233-W245 HydrophobicContact CZ-CZ3 4.44Å; L235-W245 HydrophobicContact CD1-CE3 4.36Å; L235-W245 HydrophobicContact CD1-CZ3 4.02Å; L241-W245 VanDerWaalsContact O-CB 3.31Å; L241-W245 WeakPolarHBondContact O-CB 3.37Å; L241-W245 PolarHBondContact O-N 3.11Å; D242-W245 PolarHBondContact O-N 3.41Å; L243-W245 VanDerWaalsContact C-N 3.35Å; W245-T247 VanDerWaalsContact C-N 3.3Å; W245-T247 PolarHBondContact O-N 3.09Å; W245-S248 CarbonylContact O-C 3.32Å; W245-S248 WeakPolarHBondContact O-CA 3.43Å; W245-S248 WeakPolarHBondContact O-CB 3.45Å; W245-S248 PolarHBondContact O-N 3.26Å; W245-A249 HydrophobicContact CD2-CB 4.37Å; W245-A249 HydrophobicContact CZ2-CB 4.2Å; W245-A249 WeakPolarHBondContact O-CB 3.4Å; W245-A249 PolarHBondContact O-N 3.37Å; W245-I255 HydrophobicContact CB-CB 4.46Å; W245-I255 HydrophobicContact CB-CG2 4.07Å; W245-I255 HydrophobicContact CG-CG2 4.35Å; W245-K263 HydrophobicContact CZ2-CB 4.4Å; W245-K263 PolarHBondContact NE1-O 2.65Å; W245-L266 HydrophobicContact CH2-CD2 3.88Å; W245-L266 HydrophobicContact CZ3-CD2 4.47Å
246	I	97.6	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-38.5	-177.1	-171.3	54.1	0	0	0	111.9	L150 F233 L235 D242 L243 S248 A249 L250 L266 V273	L150-I246 HydrophobicContact CD1-CG2 3.74Å; L150-I246 HydrophobicContact CD2-CG2 3.77Å; L150-I246 HydrophobicContact CG-CG2 4.43Å; F233-I246 HydrophobicContact CD1-CD1 4.27Å; F233-I246 HydrophobicContact CE1-CD1 3.57Å; F233-I246 HydrophobicContact CE1-CG1 4.2Å; L235-I246 HydrophobicContact CD2-CB 3.9Å; L235-I246 HydrophobicContact CD2-CG2 3.57Å; D242-I246 PolarHBondContact O-N 3.47Å; L243-I246 WeakPolarHBondContact O-CG2 3.44Å; I246-S248 VanDerWaalsContact C-N 3.27Å; I246-S248 PolarHBondContact O-N 3.12Å; I246-A249 PolarHBondContact O-N 2.73Å; I246-L250 HydrophobicContact CD1-CD1 3.8Å; I246-L250 HydrophobicContact CD1-CD2 4.23Å; I246-L250 HydrophobicContact CD1-CG 3.75Å; I246-L250 HydrophobicContact CG1-CD1 3.87Å; I246-L250 HydrophobicContact CG1-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CB 3.5Å; I246-L250 VanDerWaalsContact O-CG 3.3Å; I246-L250 WeakPolarHBondContact O-CG 3.5Å; I246-L250 PolarHBondContact O-N 2.98Å; I246-L250 VanDerWaalsContact O-N 3.12Å; I246-L266 HydrophobicContact CD1-CD2 3.76Å; I246-V273 HydrophobicContact CG1-CG1 4.47Å
247	T	95.3	Very high	96	Very high	27 Å²	27	35 Å²	35	17%	0.166	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-44.4	173.4	-52.3	0	0	0	0	110.2	L243 V244 W245 S251	L243-T247 PolarHBondContact O-N 2.97Å; L243-T247 PolarHBondContact O-OG1 2.96Å; V244-T247 PolarHBondContact O-N 2.61Å; W245-T247 VanDerWaalsContact C-N 3.3Å; W245-T247 PolarHBondContact O-N 3.09Å; T247-S251 WeakPolarHBondContact O-CB 3.42Å; T247-S251 PolarHBondContact O-N 3.37Å; T247-S251 PolarHBondContact O-OG 2.89Å
248	S	96.4	Very high	95.7	Very high	8 Å²	8	36 Å²	36	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-46.9	178.2	-163.5	0	0	0	0	112.8	V244 W245 I246 L250 S251 T252 G253 Q254 I255	V244-S248 WeakPolarHBondContact O-CB 3.32Å; V244-S248 PolarHBondContact O-N 3.44Å; W245-S248 CarbonylContact O-C 3.32Å; W245-S248 WeakPolarHBondContact O-CA 3.43Å; W245-S248 WeakPolarHBondContact O-CB 3.45Å; W245-S248 PolarHBondContact O-N 3.26Å; I246-S248 VanDerWaalsContact C-N 3.27Å; I246-S248 PolarHBondContact O-N 3.12Å; S248-L250 PolarHBondContact O-N 3.05Å; S248-S251 CarbonylContact O-C 3.53Å; S248-S251 VanDerWaalsContact O-C 3.29Å; S248-S251 PolarHBondContact O-N 3.14Å; S248-T252 PolarHBondContact O-N 3.09Å; S248-T252 PolarHBondContact OG-OG1 2.77Å; S248-G253 PolarHBondContact O-N 3.34Å; S248-Q254 PolarHBondContact OG-N 3.04Å; S248-I255 PolarHBondContact OG-N 3.27Å
249	A	97.8	Very high	95.5	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-24.5	-174.8	0	0	0	0	0	113.2	W245 I246 Q264 F265 L266	W245-A249 HydrophobicContact CD2-CB 4.37Å; W245-A249 HydrophobicContact CZ2-CB 4.2Å; W245-A249 WeakPolarHBondContact O-CB 3.4Å; W245-A249 PolarHBondContact O-N 3.37Å; I246-A249 PolarHBondContact O-N 2.73Å; A249-Q264 WeakPolarHBondContact CA-O 3.46Å; A249-F265 WeakPolarHBondContact O-CA 3.33Å; A249-L266 HydrophobicContact CB-CB 3.94Å; A249-L266 PolarHBondContact O-N 3.37Å
250	L	96.8	Very high	95.5	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.7	173.3	-62.2	179	0	0	0	113.5	V153 I154 I246 S248 V268 K270 V273	V153-L250 HydrophobicContact CG1-CB 3.98Å; V153-L250 HydrophobicContact CG1-CD1 4.22Å; I154-L250 HydrophobicContact CG2-CD1 3.82Å; I246-L250 HydrophobicContact CD1-CD1 3.8Å; I246-L250 HydrophobicContact CD1-CD2 4.23Å; I246-L250 HydrophobicContact CD1-CG 3.75Å; I246-L250 HydrophobicContact CG1-CD1 3.87Å; I246-L250 HydrophobicContact CG1-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CB 3.5Å; I246-L250 VanDerWaalsContact O-CG 3.3Å; I246-L250 WeakPolarHBondContact O-CG 3.5Å; I246-L250 PolarHBondContact O-N 2.98Å; I246-L250 VanDerWaalsContact O-N 3.12Å; S248-L250 PolarHBondContact O-N 3.05Å; L250-V268 HydrophobicContact CD2-CG2 3.59Å; L250-K270 HydrophobicContact CD1-CG 4.49Å; L250-K270 HydrophobicContact CD2-CG 4.32Å; L250-K270 VanDerWaalsContact O-CE 3.22Å; L250-K270 WeakPolarHBondContact O-CE 3.44Å; L250-K270 PolarHBondContact O-NZ 3.14Å; L250-V273 HydrophobicContact CD1-CG2 4.24Å
251	S	94.9	Very high	95.6	Very high	61 Å²	61	47.8 Å²	47.8	43%	0.427	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-90.2	-177.5	65	0	0	0	0	112.5	T247 S248	T247-S251 WeakPolarHBondContact O-CB 3.42Å; T247-S251 PolarHBondContact O-N 3.37Å; T247-S251 PolarHBondContact O-OG 2.89Å; S248-S251 CarbonylContact O-C 3.53Å; S248-S251 VanDerWaalsContact O-C 3.29Å; S248-S251 PolarHBondContact O-N 3.14Å
252	T	95.5	Very high	95.7	Very high	82 Å²	82	47.1 Å²	47.1	50%	0.503	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.3	-164.2	59	0	0	0	0	115.1	S248 Q254	S248-T252 PolarHBondContact O-N 3.09Å; S248-T252 PolarHBondContact OG-OG1 2.77Å; T252-Q254 VanDerWaalsContact C-N 3.3Å; T252-Q254 PolarHBondContact O-N 3.1Å; T252-Q254 WeakPolarHBondContact OG1-CG 3.36Å
253	G	95.4	Very high	95.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	26%	0.258	C	S	.	.			trans	57.2	38.3	-176.8	0	0	0	0	0	114.3	S248 Q264	S248-G253 PolarHBondContact O-N 3.34Å; G253-Q264 VanDerWaalsContact CA-O 3.23Å; G253-Q264 WeakPolarHBondContact CA-O 3.34Å; G253-Q264 WeakPolarHBondContact O-CG 3.41Å; G253-Q264 PolarHBondContact O-NE2 2.88Å
254	Q	95.8	Very high	95.7	Very high	145 Å²	145	53.5 Å²	53.5	68%	0.678	27%	0.271	S	S	*	.			trans	-82	-36.5	178.1	-64.8	-63.3	-30	0	0	111.9	S248 T252 R256	S248-Q254 PolarHBondContact OG-N 3.04Å; T252-Q254 VanDerWaalsContact C-N 3.3Å; T252-Q254 PolarHBondContact O-N 3.1Å; T252-Q254 WeakPolarHBondContact OG1-CG 3.36Å; Q254-R256 PolarHBondContact O-N 2.95Å
255	I	95.4	Very high	95.8	Very high	38 Å²	38	57 Å²	57	20%	0.195	28%	0.284	C	S	.	.			trans	-81.9	113.8	178.4	-53.1	-58.8	0	0	0	109.8	L241 V244 W245 S248 V262	L241-I255 HydrophobicContact CD1-CD1 4.44Å; V244-I255 HydrophobicContact CG1-CD1 4.31Å; V244-I255 HydrophobicContact CG1-CG1 4.24Å; W245-I255 HydrophobicContact CB-CB 4.46Å; W245-I255 HydrophobicContact CB-CG2 4.07Å; W245-I255 HydrophobicContact CG-CG2 4.35Å; S248-I255 PolarHBondContact OG-N 3.27Å; I255-V262 HydrophobicContact CG2-CG2 4.29Å
256	R	95.9	Very high	95.8	Very high	149 Å²	149	57.6 Å²	57.6	56%	0.562	29%	0.287	S	S	*	.			trans	-118.5	-10.7	178.9	-59.9	-178.3	-177.5	-174.4	-0.9	113.5	Q254 V262 Q264	Q254-R256 PolarHBondContact O-N 2.95Å; R256-V262 VanDerWaalsContact C-CG2 3.47Å; R256-V262 PolarHBondContact O-N 3.4Å; R256-Q264 HydrophobicContact CG-CB 4.15Å; R256-Q264 HydrophobicContact CG-CG 3.92Å; R256-Q264 VanDerWaalsContact NE-CD 3.29Å
257	F	95.1	Very high	95.8	Very high	121 Å²	121	66.7 Å²	66.7	53%	0.531	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-148.6	139.4	-173.7	-162.6	-90.3	0	0	0	110.3	Y259 A260 P261	F257-Y259 WeakPolarHBondContact CZ-O 3.45Å; F257-A260 WeakPolarHBondContact CA-O 3.49Å; F257-A260 VanDerWaalsContact CE2-C 3.49Å; F257-P261 HydrophobicContact CD2-CB 4.43Å; F257-P261 HydrophobicContact CD2-CG 4.12Å; F257-P261 HydrophobicContact CE2-CG 3.96Å
258	T	91.9	Very high	96	Very high	22 Å²	22	66.4 Å²	66.4	14%	0.135	32%	0.32	C	S	.	.	S	Bend	trans	-112.6	-103.8	168	57.5	0	0	0	0	109.2	P221 E222 L241 A260 V262	P221-T258 HydrophobicContact CB-CG2 4.44Å; E222-T258 WeakPolarHBondContact CG-OG1 3.23Å; E222-T258 WeakPolarHBondContact OE1-CB 3.45Å; E222-T258 PolarHBondContact OE1-OG1 3.03Å; L241-T258 HydrophobicContact CD2-CG2 3.8Å; L241-T258 HydrophobicContact CG-CG2 4.13Å; T258-A260 PolarHBondContact N-O 3.44Å; T258-A260 PolarHBondContact OG1-O 2.9Å; T258-V262 HydrophobicContact CG2-CG1 3.95Å; T258-V262 HydrophobicContact CG2-CG2 4.39Å
259	Y	90.7	Very high	96	Very high	141 Å²	141	68 Å²	68	55%	0.553	33%	0.328	S	S	*	.	S	Bend	trans	-93.9	-12	157	62.8	-99.2	0	0	0	111.6	E222 F257	E222-Y259 HydrophobicContact CG-CE1 3.84Å; E222-Y259 HydrophobicContact CG-CE2 4.03Å; E222-Y259 WeakPolarHBondContact OE1-CE1 3.39Å; F257-Y259 WeakPolarHBondContact CZ-O 3.45Å
260	A	94.2	Very high	95.9	Very high	27 Å²	27	72.2 Å²	72.2	22%	0.223	35%	0.345	C	S	.	.	S	Bend	trans	-135.1	163.5	175.8	0	0	0	0	0	109.8	E222 F257 T258 V262	E222-A260 HydrophobicContact CG-CB 4.29Å; F257-A260 WeakPolarHBondContact CA-O 3.49Å; F257-A260 VanDerWaalsContact CE2-C 3.49Å; T258-A260 PolarHBondContact N-O 3.44Å; T258-A260 PolarHBondContact OG1-O 2.9Å; A260-V262 PolarHBondContact O-N 2.9Å
261	P	96.7	Very high	95.9	Very high	105 Å²	105	77.7 Å²	77.7	68%	0.682	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-59.4	134.8	171.1	-22	34.1	0	0	0	111	F257	F257-P261 HydrophobicContact CD2-CB 4.43Å; F257-P261 HydrophobicContact CD2-CG 4.12Å; F257-P261 HydrophobicContact CE2-CG 3.96Å
262	V	97.7	Very high	96.1	Very high	16 Å²	16	78.2 Å²	78.2	10%	0.097	37%	0.369	C	S	.	.			trans	-126	161.1	178.3	-61.6	0	0	0	0	110.4	P221 E222 I255 R256 T258 A260 Q264	P221-V262 HydrophobicContact CB-CB 4.18Å; P221-V262 HydrophobicContact CB-CG1 3.67Å; E222-V262 HydrophobicContact CG-CG1 4.09Å; I255-V262 HydrophobicContact CG2-CG2 4.29Å; R256-V262 VanDerWaalsContact C-CG2 3.47Å; R256-V262 PolarHBondContact O-N 3.4Å; T258-V262 HydrophobicContact CG2-CG1 3.95Å; T258-V262 HydrophobicContact CG2-CG2 4.39Å; A260-V262 PolarHBondContact O-N 2.9Å; V262-Q264 PolarHBondContact O-N 3.05Å
263	K	97.2	Very high	96.2	Very high	74 Å²	74	74.5 Å²	74.5	32%	0.322	35%	0.347	S	S	.	.			trans	-63.7	124.9	-179.3	-60.2	-167.8	76.7	70.1	0	110.5	A224 N226 W245 L266	A224-K263 WeakPolarHBondContact O-CD 3.49Å; N226-K263 WeakPolarHBondContact OD1-CE 3.34Å; W245-K263 HydrophobicContact CZ2-CB 4.4Å; W245-K263 PolarHBondContact NE1-O 2.65Å; K263-L266 HydrophobicContact CD-CD1 4.01Å
264	Q	97.1	Very high	96.3	Very high	59 Å²	59	75.2 Å²	75.2	28%	0.276	35%	0.35	S	S	.	.	S	Bend	trans	-64.1	-45	174.3	-172.6	-174	-8.3	0	0	111.8	A249 G253 R256 V262	A249-Q264 WeakPolarHBondContact CA-O 3.46Å; G253-Q264 VanDerWaalsContact CA-O 3.23Å; G253-Q264 WeakPolarHBondContact CA-O 3.34Å; G253-Q264 WeakPolarHBondContact O-CG 3.41Å; G253-Q264 PolarHBondContact O-NE2 2.88Å; R256-Q264 HydrophobicContact CG-CB 4.15Å; R256-Q264 HydrophobicContact CG-CG 3.92Å; R256-Q264 VanDerWaalsContact NE-CD 3.29Å; V262-Q264 PolarHBondContact O-N 3.05Å
265	F	97.7	Very high	96.5	Very high	109 Å²	109	68.3 Å²	68.3	48%	0.478	32%	0.317	S	S	.	.	S	Bend	trans	-126.2	132.1	176.3	-62.6	-73.8	0	0	0	109.2	A249	A249-F265 WeakPolarHBondContact O-CA 3.33Å
266	L	97.6	Very high	96.6	Very high	11 Å²	11	66.6 Å²	66.6	6%	0.058	31%	0.308	C	S	.	.			trans	-109	121.7	179.5	-175.5	68.8	0	0	0	109.4	A224 K225 F233 W245 I246 A249 K263 V268	A224-L266 HydrophobicContact CB-CD1 4.42Å; K225-L266 WeakPolarHBondContact O-CD1 3.21Å; F233-L266 HydrophobicContact CD1-CD2 3.95Å; F233-L266 HydrophobicContact CE1-CD2 3.64Å; F233-L266 HydrophobicContact CZ-CD2 4.32Å; W245-L266 HydrophobicContact CH2-CD2 3.88Å; W245-L266 HydrophobicContact CZ3-CD2 4.47Å; I246-L266 HydrophobicContact CD1-CD2 3.76Å; A249-L266 HydrophobicContact CB-CB 3.94Å; A249-L266 PolarHBondContact O-N 3.37Å; K263-L266 HydrophobicContact CD-CD1 4.01Å; L266-V268 HydrophobicContact CD1-CG1 4.36Å; L266-V268 HydrophobicContact CD2-CG1 3.97Å; L266-V268 HydrophobicContact CD2-CG2 4Å; L266-V268 HydrophobicContact CG-CG1 3.87Å; L266-V268 HydrophobicContact CG-CG2 4.17Å; L266-V268 PolarHBondContact O-N 2.75Å
267	R	97.8	Very high	96.7	Very high	191 Å²	191	59.8 Å²	59.8	72%	0.721	28%	0.283	S	S	*	.			trans	-92	101.4	174.8	-59.5	-179	-178.5	169.8	-0.6	109.2	N226 L227	N226-R267 WeakPolarHBondContact CA-O 3.3Å; N226-R267 HydrophobicContact CB-CB 4.07Å; N226-R267 PolarHBondContact OD1-N 2.91Å; L227-R267 PolarHBondContact N-O 3.01Å
268	V	97.7	Very high	96.8	Very high	22 Å²	22	54.1 Å²	54.1	13%	0.133	26%	0.258	C	S	.	.	S	Bend	trans	-144.6	162.4	174.8	-67.1	0	0	0	0	108.5	L227 F233 L250 L266 K270 V273	L227-V268 HydrophobicContact CB-CG1 4.01Å; L227-V268 HydrophobicContact CD1-CG1 3.92Å; L227-V268 HydrophobicContact CG-CG1 3.93Å; F233-V268 HydrophobicContact CB-CB 4.36Å; F233-V268 HydrophobicContact CB-CG1 4.16Å; F233-V268 HydrophobicContact CD1-CG1 4.36Å; F233-V268 HydrophobicContact CD1-CG2 4.21Å; F233-V268 HydrophobicContact CG-CG1 4.34Å; L250-V268 HydrophobicContact CD2-CG2 3.59Å; L266-V268 HydrophobicContact CD1-CG1 4.36Å; L266-V268 HydrophobicContact CD2-CG1 3.97Å; L266-V268 HydrophobicContact CD2-CG2 4Å; L266-V268 HydrophobicContact CG-CG1 3.87Å; L266-V268 HydrophobicContact CG-CG2 4.17Å; L266-V268 PolarHBondContact O-N 2.75Å; V268-K270 PolarHBondContact O-N 3.02Å; V268-V273 HydrophobicContact CG2-CG2 3.95Å
269	D	97.3	Very high	97.1	Very high	42 Å²	42	54.1 Å²	54.1	23%	0.225	26%	0.261	C	S	.	.			trans	-75.1	113.7	170.5	-176.8	-6	0	0	0	109.9	A229 D271 K272 V273	A229-D269 VanDerWaalsContact O-CB 3.25Å; A229-D269 WeakPolarHBondContact O-CB 3.36Å; D269-D271 PolarHBondContact O-N 2.86Å; D269-D271 PolarHBondContact OD1-N 3.34Å; D269-K272 HydrophobicContact CB-CB 4.35Å; D269-K272 HydrophobicContact CB-CD 4.31Å; D269-K272 HydrophobicContact CB-CG 4.36Å; D269-K272 PolarHBondContact O-N 3.46Å; D269-K272 VanDerWaalsContact O-N 3.1Å; D269-K272 WeakPolarHBondContact OD2-CD 3.39Å; D269-K272 WeakPolarHBondContact OD2-CE 3.36Å; D269-K272 IonicContact OD2-NZ 3.86Å; D269-V273 WeakPolarHBondContact O-CG2 3.22Å
270	K	96.3	Very high	97.5	Very high	89 Å²	89	47.4 Å²	47.4	39%	0.387	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61	-33.3	-177.1	-65.9	-176.9	-178.8	-174.7	0	112	V153 P155 L250 V268 K272 V273	V153-K270 HydrophobicContact CG1-CD 4.29Å; P155-K270 VanDerWaalsContact CD-O 3.26Å; P155-K270 WeakPolarHBondContact CD-O 3.25Å; L250-K270 HydrophobicContact CD1-CG 4.49Å; L250-K270 HydrophobicContact CD2-CG 4.32Å; L250-K270 VanDerWaalsContact O-CE 3.22Å; L250-K270 WeakPolarHBondContact O-CE 3.44Å; L250-K270 PolarHBondContact O-NZ 3.14Å; V268-K270 PolarHBondContact O-N 3.02Å; K270-K272 PolarHBondContact O-N 3.15Å; K270-V273 PolarHBondContact O-N 2.96Å
271	D	97	Very high	97.7	Very high	126 Å²	126	46.1 Å²	46.1	67%	0.674	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-75.8	-3.6	-178.5	-65.1	-41	0	0	0	112.8	P155 D269	P155-D271 WeakPolarHBondContact CG-O 3.3Å; D269-D271 PolarHBondContact O-N 2.86Å; D269-D271 PolarHBondContact OD1-N 3.34Å
272	K	97.6	Very high	97.8	Very high	73 Å²	73	42.6 Å²	42.6	32%	0.317	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-122.2	16	176.8	-57.2	-178.4	179.6	170.1	0	113.1	A229 S232 F233 D269 K270	A229-K272 PolarHBondContact O-NZ 3.49Å; S232-K272 WeakPolarHBondContact CA-O 3.22Å; F233-K272 PolarHBondContact N-O 3.21Å; D269-K272 HydrophobicContact CB-CB 4.35Å; D269-K272 HydrophobicContact CB-CD 4.31Å; D269-K272 HydrophobicContact CB-CG 4.36Å; D269-K272 PolarHBondContact O-N 3.46Å; D269-K272 VanDerWaalsContact O-N 3.1Å; D269-K272 WeakPolarHBondContact OD2-CD 3.39Å; D269-K272 WeakPolarHBondContact OD2-CE 3.36Å; D269-K272 IonicContact OD2-NZ 3.86Å; K270-K272 PolarHBondContact O-N 3.15Å
273	V	98.4	Very high	97.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.2	173.4	-178.8	0	0	0	0	110.1	I154 F233 I246 L250 V268 D269 K270 I275	I154-V273 HydrophobicContact CB-CB 4.12Å; I154-V273 HydrophobicContact CB-CG1 4.47Å; I154-V273 HydrophobicContact CD1-CB 4.43Å; I154-V273 HydrophobicContact CD1-CG1 3.97Å; I154-V273 HydrophobicContact CG2-CB 3.75Å; I154-V273 HydrophobicContact CG2-CG1 3.94Å; I154-V273 HydrophobicContact CG2-CG2 4.31Å; F233-V273 HydrophobicContact CB-CG2 4.36Å; F233-V273 HydrophobicContact CD1-CG1 4.02Å; F233-V273 HydrophobicContact CD1-CG2 4.13Å; F233-V273 CarbonylContact O-C 3.55Å; F233-V273 WeakPolarHBondContact O-CA 3.4Å; I246-V273 HydrophobicContact CG1-CG1 4.47Å; L250-V273 HydrophobicContact CD1-CG2 4.24Å; V268-V273 HydrophobicContact CG2-CG2 3.95Å; D269-V273 WeakPolarHBondContact O-CG2 3.22Å; K270-V273 PolarHBondContact O-N 2.96Å; V273-I275 HydrophobicContact CG1-CD1 4.43Å
274	Q	98.1	Very high	97.9	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.4	179.6	-55.2	170.5	51.9	0	0	109.4	V115 P159 Y160 F233 V234 L235	V115-Q274 HydrophobicContact CG1-CB 4.39Å; P159-Q274 HydrophobicContact CG-CG 4.42Å; Y160-Q274 PolarHBondContact OH-NE2 3.34Å; Y160-Q274 PolarHBondContact OH-OE1 3.21Å; F233-Q274 PolarHBondContact O-N 2.58Å; V234-Q274 WeakPolarHBondContact CA-O 3.43Å; V234-Q274 HydrophobicContact CG1-CB 4.3Å; V234-Q274 HydrophobicContact CG2-CB 4.23Å; L235-Q274 PolarHBondContact N-O 3.06Å
275	I	98.4	Very high	98	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.2	179.9	-49.4	-58	0	0	0	107.9	V115 W116 L150 F151 I154 L235 P237 L243 V273 N277	V115-I275 CarbonylContact C-O 3.59Å; V115-I275 WeakPolarHBondContact CA-O 3.47Å; W116-I275 HydrophobicContact CB-CB 4.07Å; W116-I275 HydrophobicContact CB-CG2 4.14Å; W116-I275 HydrophobicContact CE3-CG2 4.05Å; W116-I275 PolarHBondContact N-O 3.04Å; L150-I275 HydrophobicContact CD2-CD1 3.74Å; L150-I275 HydrophobicContact CD2-CG1 4Å; F151-I275 HydrophobicContact CE1-CG1 4.33Å; I154-I275 HydrophobicContact CD1-CD1 3.78Å; I154-I275 HydrophobicContact CD1-CG1 3.75Å; L235-I275 HydrophobicContact CB-CD1 3.94Å; L235-I275 HydrophobicContact CD2-CD1 3.94Å; P237-I275 HydrophobicContact CG-CG2 4.09Å; L243-I275 HydrophobicContact CD2-CG2 3.71Å; V273-I275 HydrophobicContact CG1-CD1 4.43Å; I275-N277 PolarHBondContact O-N 3.22Å
276	F	98.6	Very high	98	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	131.3	174	-164.5	-79.3	0	0	0	109.6	F218 V234 L235 V236 P237 P278 F280 F281 I284 L301 F305	F218-F276 HydrophobicContact CD1-CD2 4.46Å; F218-F276 HydrophobicContact CE1-CD2 4.26Å; V234-F276 HydrophobicContact CG1-CB 4.42Å; L235-F276 VanDerWaalsContact O-CB 3.25Å; L235-F276 WeakPolarHBondContact O-CB 3.45Å; L235-F276 PolarHBondContact O-N 3.06Å; V236-F276 HydrophobicContact CG2-CB 4.31Å; V236-F276 HydrophobicContact CG2-CD2 4.36Å; V236-F276 HydrophobicContact CG2-CG 4.48Å; P237-F276 WeakPolarHBondContact CD-O 3.47Å; F276-P278 WeakPolarHBondContact O-CD 3.29Å; F276-F280 HydrophobicContact CE1-CB 4.48Å; F276-F280 AromaticContact CE1-CD1 3.68Å; F276-F280 HydrophobicContact CE1-CD1 3.68Å; F276-F280 HydrophobicContact CE1-CE1 4.5Å; F276-F280 HydrophobicContact CE2-CD1 4.09Å; F276-F280 HydrophobicContact CE2-CE1 4.26Å; F276-F280 AromaticContact CZ-CD1 3.38Å; F276-F280 HydrophobicContact CZ-CD1 3.38Å; F276-F280 AromaticContact CZ-CE1 3.77Å; F276-F280 HydrophobicContact CZ-CE1 3.77Å; F276-F281 HydrophobicContact CD1-CB 4.34Å; F276-F281 HydrophobicContact CE1-CB 3.92Å; F276-F281 HydrophobicContact CE1-CG 4.42Å; F276-I284 HydrophobicContact CZ-CD1 4Å; F276-L301 HydrophobicContact CE1-CD2 4.19Å; F276-L301 HydrophobicContact CE2-CB 4Å; F276-L301 HydrophobicContact CZ-CB 3.78Å; F276-L301 HydrophobicContact CZ-CD2 3.99Å; F276-L301 HydrophobicContact CZ-CG 4.32Å; F276-F305 AromaticContact CD2-CD2 3.91Å; F276-F305 HydrophobicContact CD2-CD2 3.91Å; F276-F305 HydrophobicContact CD2-CE2 4.49Å; F276-F305 HydrophobicContact CE2-CB 4.14Å; F276-F305 AromaticContact CE2-CD2 3.82Å; F276-F305 HydrophobicContact CE2-CD2 3.82Å; F276-F305 HydrophobicContact CE2-CG 4.46Å
277	N	98.2	Very high	98	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	18%	0.181	C	C	.	.			trans	-77	123	-173.9	-175.2	-1.4	0	0	0	111.9	S113 P114 W116 I275 A279 F280 F281	S113-N277 WeakPolarHBondContact O-CB 3.47Å; S113-N277 PolarHBondContact O-ND2 2.93Å; P114-N277 WeakPolarHBondContact O-CB 3.44Å; P114-N277 PolarHBondContact O-N 3.11Å; W116-N277 HydrophobicContact CB-CB 4.45Å; I275-N277 PolarHBondContact O-N 3.22Å; N277-A279 PolarHBondContact O-N 3.41Å; N277-A279 WeakPolarHBondContact OD1-CB 3.47Å; N277-A279 PolarHBondContact OD1-N 2.85Å; N277-F280 HydrophobicContact CB-CB 3.93Å; N277-F280 WeakPolarHBondContact O-CB 3.36Å; N277-F280 PolarHBondContact O-N 3.13Å; N277-F281 PolarHBondContact O-N 3.34Å
278	P	97.8	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-29.1	173.4	-29.4	39.4	0	0	0	115	W116 L123 V127 W131 F276 F281 K282	W116-P278 HydrophobicContact CE3-CG 3.76Å; W116-P278 HydrophobicContact CH2-CG 3.74Å; W116-P278 VanDerWaalsContact CZ3-CD 3.43Å; W116-P278 HydrophobicContact CZ3-CG 3.33Å; L123-P278 HydrophobicContact CD1-CB 3.9Å; L123-P278 HydrophobicContact CD1-CG 4.18Å; L123-P278 HydrophobicContact CD2-CB 4.28Å; V127-P278 HydrophobicContact CG1-CB 4.47Å; W131-P278 HydrophobicContact CB-CB 4.25Å; W131-P278 HydrophobicContact CD2-CB 4.2Å; W131-P278 HydrophobicContact CD2-CG 4.15Å; W131-P278 HydrophobicContact CG-CB 3.76Å; W131-P278 HydrophobicContact CG-CG 4.2Å; W131-P278 HydrophobicContact CZ2-CG 4.37Å; F276-P278 WeakPolarHBondContact O-CD 3.29Å; P278-F281 WeakPolarHBondContact O-CB 3.39Å; P278-F281 PolarHBondContact O-N 3.37Å; P278-K282 PolarHBondContact O-N 3.33Å
279	A	98.3	Very high	98	Very high	22 Å²	22	30 Å²	30	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-42.1	173.1	0	0	0	0	0	111.2	L123 V127 N277 F281 K282 Y283	L123-A279 HydrophobicContact CD2-CB 4.12Å; V127-A279 HydrophobicContact CG1-CB 4.14Å; N277-A279 PolarHBondContact O-N 3.41Å; N277-A279 WeakPolarHBondContact OD1-CB 3.47Å; N277-A279 PolarHBondContact OD1-N 2.85Å; A279-F281 VanDerWaalsContact C-N 3.33Å; A279-K282 PolarHBondContact O-N 2.77Å; A279-Y283 WeakPolarHBondContact O-CB 3.46Å; A279-Y283 PolarHBondContact O-N 3.41Å
280	F	98.6	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-37.7	173.5	-172.4	-119	0	0	0	112.2	I112 P114 F276 N277 Y283 I284 F304 F305 H308	I112-F280 HydrophobicContact CB-CD2 4.43Å; I112-F280 HydrophobicContact CD1-CB 4.43Å; I112-F280 HydrophobicContact CD1-CD2 4.02Å; I112-F280 HydrophobicContact CG1-CD2 4.02Å; I112-F280 HydrophobicContact CG2-CD2 3.64Å; I112-F280 HydrophobicContact CG2-CE2 3.79Å; P114-F280 HydrophobicContact CB-CD1 3.69Å; P114-F280 HydrophobicContact CB-CD2 4.45Å; P114-F280 HydrophobicContact CB-CE1 3.69Å; P114-F280 HydrophobicContact CB-CE2 4.44Å; P114-F280 HydrophobicContact CB-CG 4.1Å; P114-F280 HydrophobicContact CB-CZ 4.08Å; F276-F280 HydrophobicContact CE1-CB 4.48Å; F276-F280 AromaticContact CE1-CD1 3.68Å; F276-F280 HydrophobicContact CE1-CD1 3.68Å; F276-F280 HydrophobicContact CE1-CE1 4.5Å; F276-F280 HydrophobicContact CE2-CD1 4.09Å; F276-F280 HydrophobicContact CE2-CE1 4.26Å; F276-F280 AromaticContact CZ-CD1 3.38Å; F276-F280 HydrophobicContact CZ-CD1 3.38Å; F276-F280 AromaticContact CZ-CE1 3.77Å; F276-F280 HydrophobicContact CZ-CE1 3.77Å; N277-F280 HydrophobicContact CB-CB 3.93Å; N277-F280 WeakPolarHBondContact O-CB 3.36Å; N277-F280 PolarHBondContact O-N 3.13Å; F280-Y283 AromaticContact CD2-CD1 3.71Å; F280-Y283 HydrophobicContact CD2-CD1 3.71Å; F280-Y283 HydrophobicContact CD2-CE1 4.25Å; F280-Y283 AromaticContact CE2-CD1 3.73Å; F280-Y283 HydrophobicContact CE2-CD1 3.73Å; F280-Y283 AromaticContact CE2-CE1 3.83Å; F280-Y283 HydrophobicContact CE2-CE1 3.83Å; F280-Y283 WeakPolarHBondContact O-CB 3.5Å; F280-Y283 PolarHBondContact O-N 3.03Å; F280-I284 HydrophobicContact CD1-CD1 3.86Å; F280-I284 HydrophobicContact CE1-CD1 3.6Å; F280-I284 HydrophobicContact CE1-CG1 4.4Å; F280-I284 HydrophobicContact CG-CD1 4.46Å; F280-I284 HydrophobicContact CZ-CD1 4.02Å; F280-I284 HydrophobicContact CZ-CG1 4.38Å; F280-I284 WeakPolarHBondContact O-CG1 3.49Å; F280-I284 PolarHBondContact O-N 3.37Å; F280-F304 HydrophobicContact CE1-CB 4.39Å; F280-F304 HydrophobicContact CZ-CB 4.08Å; F280-F305 HydrophobicContact CE1-CB 4.36Å; F280-H308 AromaticContact CE2-CD2 3.76Å; F280-H308 AromaticContact CE2-CE1 3.61Å; F280-H308 AromaticContact CE2-CG 3.74Å; F280-H308 AromaticContact CE2-ND1 3.65Å; F280-H308 AromaticContact CE2-NE2 3.66Å; F280-H308 HydrophobicContact CZ-CB 4.34Å; F280-H308 AromaticContact CZ-CE1 3.79Å; F280-H308 AromaticContact CZ-CG 3.8Å; F280-H308 AromaticContact CZ-ND1 3.46Å; F280-H308 WeakPolarHBondContact CZ-ND1 3.41Å
281	F	98.4	Very high	98	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-50.6	173.3	-163.4	167.2	0	0	0	111.1	W130 L134 F238 F276 N277 P278 A279 Y283 I284 H285 Y295 P296 L301	W130-F281 HydrophobicContact CH2-CB 4.27Å; W130-F281 HydrophobicContact CH2-CD1 4.4Å; W130-F281 AromaticContact CH2-CD2 3.7Å; W130-F281 HydrophobicContact CH2-CD2 3.7Å; W130-F281 HydrophobicContact CH2-CE2 4.1Å; W130-F281 AromaticContact CH2-CG 3.86Å; W130-F281 HydrophobicContact CH2-CG 3.86Å; W130-F281 HydrophobicContact CZ3-CB 4.25Å; W130-F281 HydrophobicContact CZ3-CD2 4.47Å; W130-F281 HydrophobicContact CZ3-CG 4.18Å; L134-F281 HydrophobicContact CD1-CD1 4.24Å; L134-F281 HydrophobicContact CD1-CE1 3.74Å; L134-F281 HydrophobicContact CD1-CZ 4.05Å; F238-F281 AromaticContact CD1-CE1 3.7Å; F238-F281 HydrophobicContact CD1-CE1 3.7Å; F238-F281 AromaticContact CD1-CZ 3.9Å; F238-F281 HydrophobicContact CD1-CZ 3.9Å; F238-F281 AromaticContact CE1-CE1 3.73Å; F238-F281 HydrophobicContact CE1-CE1 3.73Å; F238-F281 AromaticContact CE1-CZ 3.65Å; F238-F281 HydrophobicContact CE1-CZ 3.65Å; F276-F281 HydrophobicContact CD1-CB 4.34Å; F276-F281 HydrophobicContact CE1-CB 3.92Å; F276-F281 HydrophobicContact CE1-CG 4.42Å; N277-F281 PolarHBondContact O-N 3.34Å; P278-F281 WeakPolarHBondContact O-CB 3.39Å; P278-F281 PolarHBondContact O-N 3.37Å; A279-F281 VanDerWaalsContact C-N 3.33Å; F281-Y283 VanDerWaalsContact C-N 3.33Å; F281-Y283 PolarHBondContact O-N 3.28Å; F281-I284 PolarHBondContact O-N 3.11Å; F281-H285 PolarHBondContact O-N 3.41Å; F281-Y295 HydrophobicContact CZ-CD2 4.01Å; F281-Y295 HydrophobicContact CZ-CG 4.24Å; F281-P296 HydrophobicContact CD2-CG 4.28Å; F281-P296 HydrophobicContact CE2-CB 4.3Å; F281-P296 HydrophobicContact CE2-CG 3.98Å; F281-L301 HydrophobicContact CD1-CD1 4.37Å; F281-L301 HydrophobicContact CD2-CD1 4.11Å; F281-L301 HydrophobicContact CD2-CD2 3.4Å; F281-L301 VanDerWaalsContact CD2-CD2 3.4Å; F281-L301 HydrophobicContact CD2-CG 4.36Å; F281-L301 HydrophobicContact CE1-CD1 4.05Å; F281-L301 HydrophobicContact CE2-CD1 3.75Å; F281-L301 HydrophobicContact CE2-CD2 3.61Å; F281-L301 HydrophobicContact CE2-CG 4.18Å; F281-L301 HydrophobicContact CG-CD1 4.42Å; F281-L301 HydrophobicContact CG-CD2 4.08Å; F281-L301 HydrophobicContact CZ-CD1 3.74Å; F281-L301 HydrophobicContact CZ-CD2 4.44Å
282	K	98.4	Very high	97.9	Very high	30 Å²	30	33.4 Å²	33.4	13%	0.13	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-39.2	177.8	-171.8	167	-178.8	-74.2	0	112	D126 V127 W130 P278 A279 I284 H285 D286	D126-K282 IonicContact OD2-NZ 3.29Å; D126-K282 PolarHBondContact OD2-NZ 3.12Å; V127-K282 HydrophobicContact CB-CD 4.21Å; V127-K282 HydrophobicContact CG1-CB 4.38Å; V127-K282 HydrophobicContact CG1-CD 4.46Å; V127-K282 HydrophobicContact CG2-CD 3.95Å; W130-K282 HydrophobicContact CB-CD 3.92Å; W130-K282 HydrophobicContact CD2-CB 4.19Å; W130-K282 HydrophobicContact CD2-CD 3.9Å; W130-K282 HydrophobicContact CD2-CG 3.96Å; W130-K282 HydrophobicContact CE3-CB 3.65Å; W130-K282 HydrophobicContact CE3-CD 3.94Å; W130-K282 HydrophobicContact CE3-CG 3.93Å; W130-K282 HydrophobicContact CG-CD 3.9Å; W130-K282 HydrophobicContact CG-CG 4.37Å; W130-K282 HydrophobicContact CH2-CB 4.15Å; W130-K282 HydrophobicContact CZ3-CB 3.64Å; W130-K282 HydrophobicContact CZ3-CG 4.31Å; P278-K282 PolarHBondContact O-N 3.33Å; A279-K282 PolarHBondContact O-N 2.77Å; K282-I284 VanDerWaalsContact C-N 3.34Å; K282-I284 PolarHBondContact O-N 3.46Å; K282-H285 WeakPolarHBondContact O-CB 3.45Å; K282-H285 PolarHBondContact O-N 2.92Å; K282-H285 VanDerWaalsContact O-N 3.11Å; K282-D286 WeakPolarHBondContact CE-OD2 3.44Å; K282-D286 WeakPolarHBondContact CG-OD2 3.39Å; K282-D286 IonicContact NZ-OD2 2.75Å; K282-D286 PolarHBondContact NZ-OD2 2.97Å; K282-D286 WeakPolarHBondContact O-CB 3.47Å; K282-D286 PolarHBondContact O-N 2.96Å
283	Y	98.6	Very high	97.6	Very high	17 Å²	17	31.3 Å²	31.3	7%	0.067	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-46.6	173.3	159	-100.4	0	0	0	112.6	N107 Y108 D109 I112 A279 F280 F281 H285 D286 R287 W288 H308	N107-Y283 WeakPolarHBondContact O-CE2 3.4Å; N107-Y283 PolarHBondContact O-OH 3.03Å; Y108-Y283 WeakPolarHBondContact CA-OH 3.24Å; D109-Y283 HydrophobicContact CB-CD2 4.42Å; D109-Y283 HydrophobicContact CB-CE2 3.67Å; D109-Y283 PolarHBondContact N-OH 3.04Å; I112-Y283 HydrophobicContact CD1-CD1 3.89Å; I112-Y283 HydrophobicContact CD1-CD2 3.99Å; I112-Y283 HydrophobicContact CD1-CG 3.43Å; I112-Y283 VanDerWaalsContact CD1-CG 3.43Å; I112-Y283 HydrophobicContact CG2-CD1 4.05Å; I112-Y283 HydrophobicContact CG2-CE1 4.01Å; I112-Y283 HydrophobicContact CG2-CG 4.38Å; A279-Y283 WeakPolarHBondContact O-CB 3.46Å; A279-Y283 PolarHBondContact O-N 3.41Å; F280-Y283 AromaticContact CD2-CD1 3.71Å; F280-Y283 HydrophobicContact CD2-CD1 3.71Å; F280-Y283 HydrophobicContact CD2-CE1 4.25Å; F280-Y283 AromaticContact CE2-CD1 3.73Å; F280-Y283 HydrophobicContact CE2-CD1 3.73Å; F280-Y283 AromaticContact CE2-CE1 3.83Å; F280-Y283 HydrophobicContact CE2-CE1 3.83Å; F280-Y283 WeakPolarHBondContact O-CB 3.5Å; F280-Y283 PolarHBondContact O-N 3.03Å; F281-Y283 VanDerWaalsContact C-N 3.33Å; F281-Y283 PolarHBondContact O-N 3.28Å; Y283-H285 VanDerWaalsContact C-N 3.31Å; Y283-H285 PolarHBondContact O-N 3.25Å; Y283-D286 PolarHBondContact O-N 2.93Å; Y283-R287 HydrophobicContact CD2-CB 4.33Å; Y283-R287 HydrophobicContact CD2-CG 3.73Å; Y283-R287 HydrophobicContact CE2-CB 4.16Å; Y283-R287 HydrophobicContact CE2-CG 3.78Å; Y283-R287 WeakPolarHBondContact O-CB 3.38Å; Y283-R287 PolarHBondContact O-N 3.44Å; Y283-W288 AromaticContact CE1-CD1 3.94Å; Y283-W288 AromaticContact CE1-NE1 3.42Å; Y283-W288 AromaticContact CE2-NE1 4Å; Y283-W288 AromaticContact CZ-CD1 3.98Å; Y283-W288 AromaticContact CZ-NE1 3.2Å; Y283-W288 PolarHBondContact OH-NE1 3.45Å; Y283-H308 AromaticContact CE1-CE1 3.84Å; Y283-H308 AromaticContact CE1-NE2 3.68Å
284	I	98.6	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-59.9	-45.9	174.7	-64.2	162.6	0	0	0	110.4	F276 F280 F281 K282 D286 W288 T289 P296 M300 L301 F304	F276-I284 HydrophobicContact CZ-CD1 4Å; F280-I284 HydrophobicContact CD1-CD1 3.86Å; F280-I284 HydrophobicContact CE1-CD1 3.6Å; F280-I284 HydrophobicContact CE1-CG1 4.4Å; F280-I284 HydrophobicContact CG-CD1 4.46Å; F280-I284 HydrophobicContact CZ-CD1 4.02Å; F280-I284 HydrophobicContact CZ-CG1 4.38Å; F280-I284 WeakPolarHBondContact O-CG1 3.49Å; F280-I284 PolarHBondContact O-N 3.37Å; F281-I284 PolarHBondContact O-N 3.11Å; K282-I284 VanDerWaalsContact C-N 3.34Å; K282-I284 PolarHBondContact O-N 3.46Å; I284-D286 PolarHBondContact O-N 3.06Å; I284-W288 HydrophobicContact CG2-CB 4.48Å; I284-W288 WeakPolarHBondContact O-CA 3.34Å; I284-W288 WeakPolarHBondContact O-CB 3.38Å; I284-W288 PolarHBondContact O-N 2.95Å; I284-T289 HydrophobicContact CG2-CG2 4.37Å; I284-T289 PolarHBondContact O-N 3.05Å; I284-P296 HydrophobicContact CB-CG 4.39Å; I284-P296 HydrophobicContact CG2-CB 4.19Å; I284-P296 HydrophobicContact CG2-CG 3.79Å; I284-M300 HydrophobicContact CG2-CG 4.46Å; I284-L301 HydrophobicContact CB-CD2 4.43Å; I284-L301 HydrophobicContact CD1-CD2 3.66Å; I284-L301 HydrophobicContact CG2-CD2 4.38Å; I284-F304 HydrophobicContact CD1-CB 3.5Å; I284-F304 HydrophobicContact CD1-CD2 4.42Å; I284-F304 HydrophobicContact CD1-CG 4.18Å; I284-F304 HydrophobicContact CG1-CB 3.73Å; I284-F304 HydrophobicContact CG1-CD2 4.16Å; I284-F304 HydrophobicContact CG1-CG 3.92Å; I284-F304 HydrophobicContact CG2-CD2 3.6Å; I284-F304 HydrophobicContact CG2-CE2 4.04Å; I284-F304 HydrophobicContact CG2-CG 4.23Å
285	H	98.3	Very high	97.2	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.056	17%	0.17	C	C	.	.	I	π-helix	trans	-62.9	-41.5	-178.7	177.9	-110.1	0	0	0	113.3	W130 F281 K282 Y283 T289 R290 H291 P296	W130-H285 AromaticContact CE2-ND1 3.76Å; W130-H285 HydrophobicContact CH2-CB 4.29Å; W130-H285 HydrophobicContact CZ2-CB 3.77Å; W130-H285 AromaticContact CZ2-CG 3.7Å; W130-H285 AromaticContact CZ2-ND1 3.72Å; W130-H285 AromaticContact NE1-CE1 3.5Å; W130-H285 AromaticContact NE1-ND1 3.44Å; W130-H285 PolarHBondContact NE1-ND1 2.98Å; F281-H285 PolarHBondContact O-N 3.41Å; K282-H285 WeakPolarHBondContact O-CB 3.45Å; K282-H285 PolarHBondContact O-N 2.92Å; K282-H285 VanDerWaalsContact O-N 3.11Å; Y283-H285 VanDerWaalsContact C-N 3.31Å; Y283-H285 PolarHBondContact O-N 3.25Å; H285-T289 VanDerWaalsContact CA-OG1 3.26Å; H285-T289 WeakPolarHBondContact CA-OG1 3.26Å; H285-T289 CarbonylContact O-C 3.46Å; H285-T289 PolarHBondContact O-OG1 2.92Å; H285-R290 PolarHBondContact O-N 3.1Å; H285-H291 AromaticContact CE1-CG 3.87Å; H285-H291 AromaticContact CE1-ND1 3.1Å; H285-H291 PolarHBondContact CE1-ND1 2.95Å; H285-H291 AromaticContact ND1-ND1 3.25Å; H285-H291 PolarHBondContact ND1-ND1 2.82Å; H285-H291 WeakPolarHBondContact NE2-CA 3.42Å; H285-H291 AromaticContact NE2-ND1 3.95Å; H285-H291 PolarHBondContact O-N 2.68Å; H285-P296 HydrophobicContact CB-CG 4.08Å
286	D	98.3	Very high	97	Very high	45 Å²	45	37.6 Å²	37.6	24%	0.241	17%	0.169	C	C	.	.	I	π-helix	trans	-82.4	-46.9	-172.9	-66.3	1.2	0	0	0	111.6	K282 Y283 I284 H291	K282-D286 WeakPolarHBondContact CE-OD2 3.44Å; K282-D286 WeakPolarHBondContact CG-OD2 3.39Å; K282-D286 IonicContact NZ-OD2 2.75Å; K282-D286 PolarHBondContact NZ-OD2 2.97Å; K282-D286 WeakPolarHBondContact O-CB 3.47Å; K282-D286 PolarHBondContact O-N 2.96Å; Y283-D286 PolarHBondContact O-N 2.93Å; I284-D286 PolarHBondContact O-N 3.06Å; D286-H291 IonicContact OD1-CE1 2.77Å; D286-H291 PolarHBondContact OD1-CE1 3.44Å; D286-H291 IonicContact OD1-ND1 3.63Å; D286-H291 PolarHBondContact OD1-ND1 3.06Å
287	R	98.1	Very high	96.9	Very high	139 Å²	139	38.5 Å²	38.5	53%	0.525	18%	0.176	S	C	.	.	I	π-helix	trans	-85	-41.5	-174.5	-62.5	-68.2	-175.1	161.6	0.9	112.7	N107 Y283	N107-R287 HydrophobicContact CB-CB 4.45Å; N107-R287 PolarHBondContact OD1-O 3.35Å; N107-R287 VanDerWaalsContact OD1-O 3.1Å; Y283-R287 HydrophobicContact CD2-CB 4.33Å; Y283-R287 HydrophobicContact CD2-CG 3.73Å; Y283-R287 HydrophobicContact CE2-CB 4.16Å; Y283-R287 HydrophobicContact CE2-CG 3.78Å; Y283-R287 WeakPolarHBondContact O-CB 3.38Å; Y283-R287 PolarHBondContact O-N 3.44Å
288	W	98.1	Very high	96.8	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.019	18%	0.178	C	C	.	.	I	π-helix	trans	-100.8	-54.1	-168.6	-61.1	91	0	0	0	112.5	W103 F104 N107 Y108 Y283 I284 R290 F304 I353 L357	W103-W288 HydrophobicContact CH2-CE3 4Å; W103-W288 AromaticContact CH2-CZ3 3.63Å; W103-W288 HydrophobicContact CH2-CZ3 3.63Å; W103-W288 AromaticContact CZ2-CE3 3.99Å; W103-W288 HydrophobicContact CZ2-CE3 3.99Å; W103-W288 AromaticContact CZ2-CZ3 3.92Å; W103-W288 HydrophobicContact CZ2-CZ3 3.92Å; W103-W288 HydrophobicContact CZ3-CZ3 4.02Å; F104-W288 AromaticContact CD2-CH2 3.45Å; F104-W288 HydrophobicContact CD2-CH2 3.45Å; F104-W288 VanDerWaalsContact CD2-CH2 3.45Å; F104-W288 AromaticContact CD2-CZ3 3.97Å; F104-W288 HydrophobicContact CD2-CZ3 3.97Å; F104-W288 AromaticContact CE2-CH2 3.63Å; F104-W288 HydrophobicContact CE2-CH2 3.63Å; F104-W288 HydrophobicContact CE2-CZ2 4.41Å; F104-W288 HydrophobicContact CE2-CZ3 4.36Å; F104-W288 HydrophobicContact CG-CH2 4.14Å; F104-W288 HydrophobicContact CZ-CH2 4.44Å; N107-W288 HydrophobicContact CB-CD2 4.23Å; N107-W288 HydrophobicContact CB-CE3 4.28Å; N107-W288 HydrophobicContact CB-CH2 3.91Å; N107-W288 HydrophobicContact CB-CZ2 3.86Å; N107-W288 HydrophobicContact CB-CZ3 4.12Å; Y108-W288 HydrophobicContact CD2-CZ2 4.11Å; Y283-W288 AromaticContact CE1-CD1 3.94Å; Y283-W288 AromaticContact CE1-NE1 3.42Å; Y283-W288 AromaticContact CE2-NE1 4Å; Y283-W288 AromaticContact CZ-CD1 3.98Å; Y283-W288 AromaticContact CZ-NE1 3.2Å; Y283-W288 PolarHBondContact OH-NE1 3.45Å; I284-W288 HydrophobicContact CG2-CB 4.48Å; I284-W288 WeakPolarHBondContact O-CA 3.34Å; I284-W288 WeakPolarHBondContact O-CB 3.38Å; I284-W288 PolarHBondContact O-N 2.95Å; W288-R290 PolarHBondContact O-N 3.29Å; W288-F304 HydrophobicContact CB-CE1 4.15Å; W288-F304 HydrophobicContact CB-CE2 3.79Å; W288-F304 HydrophobicContact CB-CZ 3.49Å; W288-F304 VanDerWaalsContact CB-CZ 3.49Å; W288-F304 AromaticContact CD1-CE1 3.83Å; W288-F304 HydrophobicContact CD2-CD1 4.13Å; W288-F304 AromaticContact CD2-CE1 3.1Å; W288-F304 HydrophobicContact CD2-CE1 3.1Å; W288-F304 HydrophobicContact CD2-CE2 4.33Å; W288-F304 AromaticContact CD2-CZ 3.24Å; W288-F304 HydrophobicContact CD2-CZ 3.24Å; W288-F304 AromaticContact CE2-CE1 3.3Å; W288-F304 AromaticContact CE2-CZ 3.96Å; W288-F304 AromaticContact CE3-CE1 3.48Å; W288-F304 HydrophobicContact CE3-CE1 3.48Å; W288-F304 VanDerWaalsContact CE3-CE1 3.48Å; W288-F304 AromaticContact CE3-CZ 3.42Å; W288-F304 HydrophobicContact CE3-CZ 3.42Å; W288-F304 VanDerWaalsContact CE3-CZ 3.42Å; W288-F304 HydrophobicContact CG-CD1 4.2Å; W288-F304 AromaticContact CG-CE1 3.43Å; W288-F304 HydrophobicContact CG-CE1 3.43Å; W288-F304 VanDerWaalsContact CG-CE1 3.43Å; W288-F304 AromaticContact CG-CE2 3.96Å; W288-F304 HydrophobicContact CG-CE2 3.96Å; W288-F304 AromaticContact CG-CZ 3.29Å; W288-F304 HydrophobicContact CG-CZ 3.29Å; W288-F304 HydrophobicContact CH2-CE1 4.14Å; W288-F304 AromaticContact CZ2-CE1 3.81Å; W288-F304 HydrophobicContact CZ2-CE1 3.81Å; W288-F304 AromaticContact CZ3-CE1 3.98Å; W288-F304 HydrophobicContact CZ3-CE1 3.98Å; W288-F304 HydrophobicContact CZ3-CZ 4.24Å; W288-F304 AromaticContact NE1-CE1 3.71Å; W288-I353 VanDerWaalsContact O-CD1 3.24Å; W288-I353 WeakPolarHBondContact O-CD1 3.44Å; W288-L357 HydrophobicContact CZ3-CD2 4.13Å
289	T	97.3	Very high	96.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.181	C	C	.	.	S	Bend	trans	-80.5	-7.6	177.6	72.9	0	0	0	0	112.9	I284 H285 H291 H292 P296 M300 F349 I353	I284-T289 HydrophobicContact CG2-CG2 4.37Å; I284-T289 PolarHBondContact O-N 3.05Å; H285-T289 VanDerWaalsContact CA-OG1 3.26Å; H285-T289 WeakPolarHBondContact CA-OG1 3.26Å; H285-T289 CarbonylContact O-C 3.46Å; H285-T289 PolarHBondContact O-OG1 2.92Å; T289-H291 PolarHBondContact O-N 2.84Å; T289-H291 VanDerWaalsContact O-N 3.08Å; T289-H292 VanDerWaalsContact O-CB 3.26Å; T289-H292 WeakPolarHBondContact O-CB 3.46Å; T289-H292 PolarHBondContact O-CD2 3.22Å; T289-H292 PolarHBondContact O-N 2.92Å; T289-P296 HydrophobicContact CG2-CB 4.14Å; T289-P296 HydrophobicContact CG2-CG 3.89Å; T289-M300 HydrophobicContact CG2-CG 4.27Å; T289-F349 WeakPolarHBondContact O-CE1 3.34Å; T289-I353 HydrophobicContact CG2-CD1 4.05Å
290	R	96.8	Very high	96.7	Very high	135 Å²	135	38 Å²	38	51%	0.509	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	42.3	177.7	-60.2	-175	176.5	-176.2	-3.1	112.8	H285 W288 H292 F349	H285-R290 PolarHBondContact O-N 3.1Å; W288-R290 PolarHBondContact O-N 3.29Å; R290-H292 PolarHBondContact O-N 3.45Å; R290-F349 HydrophobicContact CB-CE1 4.49Å; R290-F349 HydrophobicContact CB-CZ 4.31Å; R290-F349 HydrophobicContact CG-CZ 4.49Å
291	H	96	Very high	96.7	Very high	114 Å²	114	38 Å²	38	53%	0.528	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	18.6	-177.5	-41.4	-71	0	0	0	116.5	H285 D286 T289	H285-H291 AromaticContact CE1-CG 3.87Å; H285-H291 AromaticContact CE1-ND1 3.1Å; H285-H291 PolarHBondContact CE1-ND1 2.95Å; H285-H291 AromaticContact ND1-ND1 3.25Å; H285-H291 PolarHBondContact ND1-ND1 2.82Å; H285-H291 WeakPolarHBondContact NE2-CA 3.42Å; H285-H291 AromaticContact NE2-ND1 3.95Å; H285-H291 PolarHBondContact O-N 2.68Å; D286-H291 IonicContact OD1-CE1 2.77Å; D286-H291 PolarHBondContact OD1-CE1 3.44Å; D286-H291 IonicContact OD1-ND1 3.63Å; D286-H291 PolarHBondContact OD1-ND1 3.06Å; T289-H291 PolarHBondContact O-N 2.84Å; T289-H291 VanDerWaalsContact O-N 3.08Å
292	H	95.2	Very high	96.7	Very high	78 Å²	78	38 Å²	38	36%	0.361	17%	0.173	S	C	.	.			trans	-71.8	129.3	169.8	-81.6	-103.6	0	0	0	111.4	T289 R290 D346 F349	T289-H292 VanDerWaalsContact O-CB 3.26Å; T289-H292 WeakPolarHBondContact O-CB 3.46Å; T289-H292 PolarHBondContact O-CD2 3.22Å; T289-H292 PolarHBondContact O-N 2.92Å; R290-H292 PolarHBondContact O-N 3.45Å; H292-D346 HydrophobicContact CB-CB 3.78Å; H292-D346 IonicContact CE1-OD2 2.93Å; H292-D346 IonicContact CG-OD2 2.68Å; H292-D346 IonicContact ND1-OD2 3.41Å; H292-D346 PolarHBondContact ND1-OD2 3.22Å; H292-F349 HydrophobicContact CB-CB 3.99Å; H292-F349 HydrophobicContact CB-CD1 3.79Å; H292-F349 HydrophobicContact CB-CD2 4.41Å; H292-F349 HydrophobicContact CB-CE1 4.41Å; H292-F349 HydrophobicContact CB-CG 3.8Å; H292-F349 AromaticContact CD2-CD2 3.74Å; H292-F349 AromaticContact CD2-CE1 3.99Å; H292-F349 AromaticContact CD2-CE2 3.64Å; H292-F349 AromaticContact CD2-CG 3.96Å; H292-F349 AromaticContact CD2-CZ 3.77Å; H292-F349 AromaticContact CE1-CD2 3.69Å; H292-F349 AromaticContact CE1-CE2 3.98Å; H292-F349 AromaticContact CG-CD1 3.89Å; H292-F349 AromaticContact CG-CD2 3.7Å; H292-F349 AromaticContact CG-CG 3.59Å; H292-F349 AromaticContact ND1-CD2 3.67Å; H292-F349 AromaticContact ND1-CG 3.83Å; H292-F349 AromaticContact NE2-CD2 3.74Å; H292-F349 AromaticContact NE2-CE2 3.57Å
293	G	92.1	Very high	96.7	Very high	30 Å²	30	36.6 Å²	36.6	31%	0.309	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	76.2	-179.7	-168.8	0	0	0	0	0	112.4
294	R	92.5	Very high	96.7	Very high	129 Å²	129	35.8 Å²	35.8	49%	0.487	16%	0.163	S	C	.	.	S	Bend	trans	-75.7	-36.2	175.1	-168.8	-175.7	173.4	144.5	3.8	111.7	M133 L134 V344	M133-R294 PolarHBondContact O-NH2 3.28Å; L134-R294 PolarHBondContact O-NE 3.17Å; L134-R294 VanDerWaalsContact O-NE 3.1Å; L134-R294 PolarHBondContact O-NH2 2.7Å; R294-V344 WeakPolarHBondContact CB-O 3.42Å; R294-V344 PolarHBondContact N-O 2.94Å
295	Y	94.2	Very high	96.7	Very high	22 Å²	22	35.8 Å²	35.8	9%	0.086	16%	0.163	C	C	.	.	S	Bend	trans	-164	160	174.1	46.3	-95.9	0	0	0	109.9	L134 Q135 F238 F281 V344 H345	L134-Y295 HydrophobicContact CB-CD1 4.31Å; L134-Y295 HydrophobicContact CB-CE1 4.49Å; L134-Y295 HydrophobicContact CD2-CD1 3.84Å; L134-Y295 HydrophobicContact CD2-CG 4.25Å; Q135-Y295 PolarHBondContact NE2-OH 3.36Å; F238-Y295 HydrophobicContact CD1-CD2 4.17Å; F238-Y295 AromaticContact CD1-CE2 3.82Å; F238-Y295 HydrophobicContact CD1-CE2 3.82Å; F238-Y295 AromaticContact CE1-CD2 3.96Å; F238-Y295 HydrophobicContact CE1-CD2 3.96Å; F238-Y295 AromaticContact CE1-CE2 3.72Å; F238-Y295 HydrophobicContact CE1-CE2 3.72Å; F281-Y295 HydrophobicContact CZ-CD2 4.01Å; F281-Y295 HydrophobicContact CZ-CG 4.24Å; Y295-V344 HydrophobicContact CD1-CG1 4.41Å; Y295-V344 HydrophobicContact CD2-CG1 4.39Å; Y295-V344 HydrophobicContact CE1-CG1 3.79Å; Y295-V344 HydrophobicContact CE2-CG1 3.74Å; Y295-V344 PolarHBondContact N-O 3.18Å; Y295-V344 WeakPolarHBondContact OH-CG1 3.48Å; Y295-H345 AromaticContact CD2-CE1 3.38Å; Y295-H345 WeakPolarHBondContact CD2-CE1 3.14Å; Y295-H345 AromaticContact CD2-ND1 3.85Å; Y295-H345 AromaticContact CE2-CE1 3.27Å; Y295-H345 WeakPolarHBondContact CE2-CE1 3.36Å; Y295-H345 PolarHBondContact O-ND1 3.21Å
296	P	95.9	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.			trans	-59.2	149.2	175.9	-21.1	19.4	0	0	0	114.6	F281 I284 H285 T289 M300 L301 H345	F281-P296 HydrophobicContact CD2-CG 4.28Å; F281-P296 HydrophobicContact CE2-CB 4.3Å; F281-P296 HydrophobicContact CE2-CG 3.98Å; I284-P296 HydrophobicContact CB-CG 4.39Å; I284-P296 HydrophobicContact CG2-CB 4.19Å; I284-P296 HydrophobicContact CG2-CG 3.79Å; H285-P296 HydrophobicContact CB-CG 4.08Å; T289-P296 HydrophobicContact CG2-CB 4.14Å; T289-P296 HydrophobicContact CG2-CG 3.89Å; P296-M300 HydrophobicContact CB-CB 4.17Å; P296-M300 HydrophobicContact CB-CG 4.31Å; P296-L301 HydrophobicContact CB-CD2 3.84Å; P296-L301 HydrophobicContact CB-CG 4.2Å; P296-L301 HydrophobicContact CG-CD2 4.15Å; P296-H345 VanDerWaalsContact C-ND1 3.34Å; P296-H345 PolarHBondContact O-CE1 3.09Å; P296-H345 VanDerWaalsContact O-CE1 3.3Å; P296-H345 PolarHBondContact O-ND1 3.11Å
297	S	95.5	Very high	96.7	Very high	21 Å²	21	33 Å²	33	15%	0.147	15%	0.149	C	C	.	.			trans	-68.3	156.8	173.2	80.2	0	0	0	0	112.1	G299 M300 L301 H345 E350	S297-G299 PolarHBondContact O-N 2.75Å; S297-G299 PolarHBondContact OG-N 3.41Å; S297-M300 WeakPolarHBondContact O-CB 3.39Å; S297-M300 PolarHBondContact O-N 3.23Å; S297-M300 PolarHBondContact OG-N 2.96Å; S297-L301 WeakPolarHBondContact O-CG 3.46Å; S297-L301 PolarHBondContact O-N 3.31Å; S297-H345 PolarHBondContact N-ND1 3.06Å; S297-E350 WeakPolarHBondContact CB-OE1 3.24Å; S297-E350 VanDerWaalsContact CB-OE2 3.24Å; S297-E350 WeakPolarHBondContact CB-OE2 3.21Å; S297-E350 PolarHBondContact N-OE1 3.48Å; S297-E350 PolarHBondContact OG-OE1 3.21Å; S297-E350 PolarHBondContact OG-OE2 3.36Å
298	T	95.9	Very high	96.7	Very high	11 Å²	11	27.5 Å²	27.5	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-56.4	-36.7	175.5	-46.4	0	0	0	0	111.9	I198 L301 V302	I198-T298 HydrophobicContact CB-CG2 4.13Å; I198-T298 HydrophobicContact CG2-CG2 3.9Å; T298-L301 PolarHBondContact O-N 2.78Å; T298-V302 HydrophobicContact CG2-CG2 4.5Å; T298-V302 WeakPolarHBondContact O-CG2 3.04Å; T298-V302 PolarHBondContact O-N 3.14Å
299	G	96.4	Very high	96.7	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-43.8	175.9	0	0	0	0	0	112.1	S297 V302 L303 F318	S297-G299 PolarHBondContact O-N 2.75Å; S297-G299 PolarHBondContact OG-N 3.41Å; G299-V302 PolarHBondContact O-N 3.15Å; G299-L303 WeakPolarHBondContact O-CB 3.25Å; G299-L303 PolarHBondContact O-N 3.15Å; G299-F318 WeakPolarHBondContact O-CE1 3.38Å
300	M	97.3	Very high	96.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-42.8	176.7	-163.9	53.7	46	0	0	112.1	I284 T289 P296 S297 V302 L303 F304 E350 I353 I354	I284-M300 HydrophobicContact CG2-CG 4.46Å; T289-M300 HydrophobicContact CG2-CG 4.27Å; P296-M300 HydrophobicContact CB-CB 4.17Å; P296-M300 HydrophobicContact CB-CG 4.31Å; S297-M300 WeakPolarHBondContact O-CB 3.39Å; S297-M300 PolarHBondContact O-N 3.23Å; S297-M300 PolarHBondContact OG-N 2.96Å; M300-V302 VanDerWaalsContact C-N 3.34Å; M300-V302 PolarHBondContact O-N 2.76Å; M300-L303 PolarHBondContact O-N 3.21Å; M300-L303 HydrophobicContact SD-CD2 4.28Å; M300-F304 HydrophobicContact CG-CD2 4.03Å; M300-F304 HydrophobicContact CG-CE2 3.98Å; M300-F304 WeakPolarHBondContact O-CD2 3.38Å; M300-F304 PolarHBondContact O-N 2.68Å; M300-F304 HydrophobicContact SD-CD2 3.9Å; M300-F304 HydrophobicContact SD-CE2 3.48Å; M300-F304 WeakPolarHBondContact SD-CE2 3.43Å; M300-E350 HydrophobicContact CB-CG 4.33Å; M300-E350 HydrophobicContact CE-CB 3.53Å; M300-E350 HydrophobicContact CE-CG 3.71Å; M300-E350 HydrophobicContact CG-CG 4.2Å; M300-I353 HydrophobicContact SD-CG2 4.42Å; M300-I354 HydrophobicContact CE-CD1 3.84Å; M300-I354 HydrophobicContact CE-CG1 3.92Å
301	L	98.6	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-43.4	177.1	-65.3	179.3	0	0	0	112.5	V236 F276 F281 I284 P296 S297 T298 F305	V236-L301 HydrophobicContact CG1-CD1 3.7Å; F276-L301 HydrophobicContact CE1-CD2 4.19Å; F276-L301 HydrophobicContact CE2-CB 4Å; F276-L301 HydrophobicContact CZ-CB 3.78Å; F276-L301 HydrophobicContact CZ-CD2 3.99Å; F276-L301 HydrophobicContact CZ-CG 4.32Å; F281-L301 HydrophobicContact CD1-CD1 4.37Å; F281-L301 HydrophobicContact CD2-CD1 4.11Å; F281-L301 HydrophobicContact CD2-CD2 3.4Å; F281-L301 VanDerWaalsContact CD2-CD2 3.4Å; F281-L301 HydrophobicContact CD2-CG 4.36Å; F281-L301 HydrophobicContact CE1-CD1 4.05Å; F281-L301 HydrophobicContact CE2-CD1 3.75Å; F281-L301 HydrophobicContact CE2-CD2 3.61Å; F281-L301 HydrophobicContact CE2-CG 4.18Å; F281-L301 HydrophobicContact CG-CD1 4.42Å; F281-L301 HydrophobicContact CG-CD2 4.08Å; F281-L301 HydrophobicContact CZ-CD1 3.74Å; F281-L301 HydrophobicContact CZ-CD2 4.44Å; I284-L301 HydrophobicContact CB-CD2 4.43Å; I284-L301 HydrophobicContact CD1-CD2 3.66Å; I284-L301 HydrophobicContact CG2-CD2 4.38Å; P296-L301 HydrophobicContact CB-CD2 3.84Å; P296-L301 HydrophobicContact CB-CG 4.2Å; P296-L301 HydrophobicContact CG-CD2 4.15Å; S297-L301 WeakPolarHBondContact O-CG 3.46Å; S297-L301 PolarHBondContact O-N 3.31Å; T298-L301 PolarHBondContact O-N 2.78Å; L301-F305 WeakPolarHBondContact O-CB 3.48Å; L301-F305 PolarHBondContact O-N 3.4Å
302	V	98.6	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.5	-34.6	179.2	179.1	0	0	0	0	112.2	V173 M196 I198 F218 T298 G299 M300 F305 A306	V173-V302 HydrophobicContact CG1-CB 4.41Å; V173-V302 HydrophobicContact CG1-CG1 3.83Å; M196-V302 HydrophobicContact CB-CG1 3.79Å; M196-V302 HydrophobicContact SD-CG1 4.1Å; I198-V302 HydrophobicContact CG2-CB 4.04Å; I198-V302 HydrophobicContact CG2-CG1 4.39Å; I198-V302 HydrophobicContact CG2-CG2 3.47Å; I198-V302 VanDerWaalsContact CG2-CG2 3.47Å; F218-V302 HydrophobicContact CB-CG2 3.63Å; F218-V302 HydrophobicContact CD1-CG2 3.44Å; F218-V302 VanDerWaalsContact CD1-CG2 3.44Å; F218-V302 HydrophobicContact CD2-CB 4.35Å; F218-V302 HydrophobicContact CD2-CG1 3.76Å; F218-V302 HydrophobicContact CD2-CG2 3.54Å; F218-V302 HydrophobicContact CE1-CG2 3.89Å; F218-V302 HydrophobicContact CE2-CB 4.46Å; F218-V302 HydrophobicContact CE2-CG1 3.61Å; F218-V302 HydrophobicContact CE2-CG2 4.02Å; F218-V302 HydrophobicContact CG-CB 4.44Å; F218-V302 HydrophobicContact CG-CG1 4.34Å; F218-V302 HydrophobicContact CG-CG2 3.25Å; F218-V302 HydrophobicContact CZ-CG1 4.03Å; F218-V302 HydrophobicContact CZ-CG2 4.16Å; T298-V302 HydrophobicContact CG2-CG2 4.5Å; T298-V302 WeakPolarHBondContact O-CG2 3.04Å; T298-V302 PolarHBondContact O-N 3.14Å; G299-V302 PolarHBondContact O-N 3.15Å; M300-V302 VanDerWaalsContact C-N 3.34Å; M300-V302 PolarHBondContact O-N 2.76Å; V302-F305 WeakPolarHBondContact O-CB 3.36Å; V302-F305 PolarHBondContact O-N 3.3Å; V302-A306 PolarHBondContact O-N 3.03Å
303	L	98.8	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.6	-49.9	172.7	177.1	57.8	0	0	0	111	G299 M300 F305 A306 L307 V313 V315 I354 L357 I363	G299-L303 WeakPolarHBondContact O-CB 3.25Å; G299-L303 PolarHBondContact O-N 3.15Å; M300-L303 PolarHBondContact O-N 3.21Å; M300-L303 HydrophobicContact SD-CD2 4.28Å; L303-F305 VanDerWaalsContact C-N 3.35Å; L303-F305 PolarHBondContact O-N 3.29Å; L303-A306 WeakPolarHBondContact O-CB 3.29Å; L303-A306 PolarHBondContact O-N 3.28Å; L303-L307 WeakPolarHBondContact O-CG 3.43Å; L303-L307 PolarHBondContact O-N 3.32Å; L303-V313 HydrophobicContact CD1-CG1 4Å; L303-V315 HydrophobicContact CD1-CG2 3.53Å; L303-I354 HydrophobicContact CD2-CD1 4.43Å; L303-I354 HydrophobicContact CD2-CG1 3.75Å; L303-L357 HydrophobicContact CD2-CD1 3.96Å; L303-I363 HydrophobicContact CD1-CG2 4.21Å; L303-I363 HydrophobicContact CD2-CD1 4.49Å
304	F	98.7	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-67.4	-35.5	177.6	-82.4	-71	0	0	0	113	F280 I284 W288 M300 A306 L307 H308 I353 L357	F280-F304 HydrophobicContact CE1-CB 4.39Å; F280-F304 HydrophobicContact CZ-CB 4.08Å; I284-F304 HydrophobicContact CD1-CB 3.5Å; I284-F304 HydrophobicContact CD1-CD2 4.42Å; I284-F304 HydrophobicContact CD1-CG 4.18Å; I284-F304 HydrophobicContact CG1-CB 3.73Å; I284-F304 HydrophobicContact CG1-CD2 4.16Å; I284-F304 HydrophobicContact CG1-CG 3.92Å; I284-F304 HydrophobicContact CG2-CD2 3.6Å; I284-F304 HydrophobicContact CG2-CE2 4.04Å; I284-F304 HydrophobicContact CG2-CG 4.23Å; W288-F304 HydrophobicContact CB-CE1 4.15Å; W288-F304 HydrophobicContact CB-CE2 3.79Å; W288-F304 HydrophobicContact CB-CZ 3.49Å; W288-F304 VanDerWaalsContact CB-CZ 3.49Å; W288-F304 AromaticContact CD1-CE1 3.83Å; W288-F304 HydrophobicContact CD2-CD1 4.13Å; W288-F304 AromaticContact CD2-CE1 3.1Å; W288-F304 HydrophobicContact CD2-CE1 3.1Å; W288-F304 HydrophobicContact CD2-CE2 4.33Å; W288-F304 AromaticContact CD2-CZ 3.24Å; W288-F304 HydrophobicContact CD2-CZ 3.24Å; W288-F304 AromaticContact CE2-CE1 3.3Å; W288-F304 AromaticContact CE2-CZ 3.96Å; W288-F304 AromaticContact CE3-CE1 3.48Å; W288-F304 HydrophobicContact CE3-CE1 3.48Å; W288-F304 VanDerWaalsContact CE3-CE1 3.48Å; W288-F304 AromaticContact CE3-CZ 3.42Å; W288-F304 HydrophobicContact CE3-CZ 3.42Å; W288-F304 VanDerWaalsContact CE3-CZ 3.42Å; W288-F304 HydrophobicContact CG-CD1 4.2Å; W288-F304 AromaticContact CG-CE1 3.43Å; W288-F304 HydrophobicContact CG-CE1 3.43Å; W288-F304 VanDerWaalsContact CG-CE1 3.43Å; W288-F304 AromaticContact CG-CE2 3.96Å; W288-F304 HydrophobicContact CG-CE2 3.96Å; W288-F304 AromaticContact CG-CZ 3.29Å; W288-F304 HydrophobicContact CG-CZ 3.29Å; W288-F304 HydrophobicContact CH2-CE1 4.14Å; W288-F304 AromaticContact CZ2-CE1 3.81Å; W288-F304 HydrophobicContact CZ2-CE1 3.81Å; W288-F304 AromaticContact CZ3-CE1 3.98Å; W288-F304 HydrophobicContact CZ3-CE1 3.98Å; W288-F304 HydrophobicContact CZ3-CZ 4.24Å; W288-F304 AromaticContact NE1-CE1 3.71Å; M300-F304 HydrophobicContact CG-CD2 4.03Å; M300-F304 HydrophobicContact CG-CE2 3.98Å; M300-F304 WeakPolarHBondContact O-CD2 3.38Å; M300-F304 PolarHBondContact O-N 2.68Å; M300-F304 HydrophobicContact SD-CD2 3.9Å; M300-F304 HydrophobicContact SD-CE2 3.48Å; M300-F304 WeakPolarHBondContact SD-CE2 3.43Å; F304-A306 VanDerWaalsContact C-N 3.31Å; F304-A306 PolarHBondContact O-N 2.97Å; F304-L307 HydrophobicContact CD1-CD1 3.72Å; F304-L307 HydrophobicContact CE1-CD1 3.79Å; F304-L307 HydrophobicContact CG-CD1 4.46Å; F304-L307 PolarHBondContact O-N 2.7Å; F304-H308 PolarHBondContact O-N 3.03Å; F304-H308 PolarHBondContact O-ND1 3.47Å; F304-I353 HydrophobicContact CE2-CG2 4.27Å; F304-I353 HydrophobicContact CZ-CG2 3.97Å; F304-L357 HydrophobicContact CZ-CD1 4.33Å
305	F	98.8	Very high	97.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-55.5	-48.4	170.5	-172.1	-78.1	0	0	0	111.1	P114 V115 Y160 M196 F218 V234 F276 F280 L301 V302 L303 L307 H308 V309	P114-F305 HydrophobicContact CB-CD2 3.62Å; P114-F305 HydrophobicContact CB-CE2 3.85Å; P114-F305 HydrophobicContact CB-CG 4.31Å; P114-F305 HydrophobicContact CG-CD2 4.39Å; P114-F305 HydrophobicContact CG-CE2 4.29Å; V115-F305 HydrophobicContact CG1-CE2 3.78Å; V115-F305 HydrophobicContact CG1-CZ 4.05Å; Y160-F305 HydrophobicContact CD2-CZ 4.42Å; Y160-F305 HydrophobicContact CE1-CE1 4.37Å; Y160-F305 AromaticContact CE2-CE1 3.88Å; Y160-F305 HydrophobicContact CE2-CE1 3.88Å; Y160-F305 HydrophobicContact CE2-CE2 4.41Å; Y160-F305 AromaticContact CE2-CZ 3.4Å; Y160-F305 HydrophobicContact CE2-CZ 3.4Å; Y160-F305 VanDerWaalsContact CE2-CZ 3.4Å; Y160-F305 AromaticContact CZ-CE1 3.62Å; Y160-F305 AromaticContact CZ-CZ 3.55Å; Y160-F305 WeakPolarHBondContact OH-CE1 3.38Å; Y160-F305 VanDerWaalsContact OH-CZ 3.31Å; Y160-F305 WeakPolarHBondContact OH-CZ 3.26Å; M196-F305 HydrophobicContact CE-CD1 4.07Å; M196-F305 HydrophobicContact CE-CE1 4.24Å; M196-F305 HydrophobicContact SD-CD1 4.06Å; F218-F305 HydrophobicContact CE1-CB 4.31Å; F218-F305 HydrophobicContact CE1-CD1 4.12Å; F218-F305 AromaticContact CE1-CD2 3.76Å; F218-F305 HydrophobicContact CE1-CD2 3.76Å; F218-F305 HydrophobicContact CE1-CE1 4.32Å; F218-F305 AromaticContact CE1-CE2 3.99Å; F218-F305 HydrophobicContact CE1-CE2 3.99Å; F218-F305 AromaticContact CE1-CG 3.82Å; F218-F305 HydrophobicContact CE1-CG 3.82Å; F218-F305 HydrophobicContact CE1-CZ 4.24Å; F218-F305 HydrophobicContact CZ-CB 4.31Å; F218-F305 AromaticContact CZ-CD1 3.57Å; F218-F305 HydrophobicContact CZ-CD1 3.57Å; F218-F305 HydrophobicContact CZ-CD2 4.08Å; F218-F305 AromaticContact CZ-CE1 3.73Å; F218-F305 HydrophobicContact CZ-CE1 3.73Å; F218-F305 HydrophobicContact CZ-CE2 4.23Å; F218-F305 AromaticContact CZ-CG 3.74Å; F218-F305 HydrophobicContact CZ-CG 3.74Å; F218-F305 HydrophobicContact CZ-CZ 4.03Å; V234-F305 HydrophobicContact CG1-CE2 4.31Å; F276-F305 AromaticContact CD2-CD2 3.91Å; F276-F305 HydrophobicContact CD2-CD2 3.91Å; F276-F305 HydrophobicContact CD2-CE2 4.49Å; F276-F305 HydrophobicContact CE2-CB 4.14Å; F276-F305 AromaticContact CE2-CD2 3.82Å; F276-F305 HydrophobicContact CE2-CD2 3.82Å; F276-F305 HydrophobicContact CE2-CG 4.46Å; F280-F305 HydrophobicContact CE1-CB 4.36Å; L301-F305 WeakPolarHBondContact O-CB 3.48Å; L301-F305 PolarHBondContact O-N 3.4Å; V302-F305 WeakPolarHBondContact O-CB 3.36Å; V302-F305 PolarHBondContact O-N 3.3Å; L303-F305 VanDerWaalsContact C-N 3.35Å; L303-F305 PolarHBondContact O-N 3.29Å; F305-L307 VanDerWaalsContact C-N 3.34Å; F305-L307 PolarHBondContact O-N 2.9Å; F305-H308 PolarHBondContact O-N 3.25Å; F305-H308 VanDerWaalsContact O-N 3.1Å; F305-V309 HydrophobicContact CD1-CG1 4.25Å; F305-V309 HydrophobicContact CD1-CG2 3.86Å; F305-V309 HydrophobicContact CE1-CG1 4.01Å; F305-V309 HydrophobicContact CE1-CG2 3.82Å; F305-V309 HydrophobicContact CZ-CG1 4.47Å; F305-V309 WeakPolarHBondContact O-CG2 3.31Å; F305-V309 PolarHBondContact O-N 3.44Å
306	A	98.7	Very high	97.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.2	-42.3	177.6	0	0	0	0	0	111.9	V173 M196 V302 L303 F304 H308 V309 C310 V313	V173-A306 HydrophobicContact CG2-CB 3.46Å; V173-A306 VanDerWaalsContact CG2-CB 3.46Å; M196-A306 HydrophobicContact CE-CB 4.18Å; M196-A306 HydrophobicContact SD-CB 3.85Å; V302-A306 PolarHBondContact O-N 3.03Å; L303-A306 WeakPolarHBondContact O-CB 3.29Å; L303-A306 PolarHBondContact O-N 3.28Å; F304-A306 VanDerWaalsContact C-N 3.31Å; F304-A306 PolarHBondContact O-N 2.97Å; A306-H308 PolarHBondContact O-N 3.5Å; A306-H308 VanDerWaalsContact O-N 3.11Å; A306-V309 PolarHBondContact O-N 3.1Å; A306-C310 WeakPolarHBondContact O-CB 3.38Å; A306-C310 PolarHBondContact O-N 3.25Å; A306-C310 PolarHBondContact O-SG 3.23Å; A306-C310 VanDerWaalsContact O-SG 3.33Å; A306-V313 HydrophobicContact CB-CG1 4.05Å; A306-V313 HydrophobicContact CB-CG2 3.96Å
307	L	98.4	Very high	97.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.5	-19.3	176.3	-69.1	172.6	0	0	0	114.3	V95 Y108 L303 F304 F305 V313 L357 I363	V95-L307 HydrophobicContact CB-CD2 4.45Å; V95-L307 HydrophobicContact CG1-CB 4.07Å; V95-L307 HydrophobicContact CG1-CD2 3.65Å; V95-L307 HydrophobicContact CG1-CG 4.48Å; V95-L307 WeakPolarHBondContact CG1-O 3.38Å; V95-L307 HydrophobicContact CG2-CD2 3.85Å; Y108-L307 PolarHBondContact OH-O 3.48Å; L303-L307 WeakPolarHBondContact O-CG 3.43Å; L303-L307 PolarHBondContact O-N 3.32Å; F304-L307 HydrophobicContact CD1-CD1 3.72Å; F304-L307 HydrophobicContact CE1-CD1 3.79Å; F304-L307 HydrophobicContact CG-CD1 4.46Å; F304-L307 PolarHBondContact O-N 2.7Å; F305-L307 VanDerWaalsContact C-N 3.34Å; F305-L307 PolarHBondContact O-N 2.9Å; L307-V313 HydrophobicContact CD2-CB 4.38Å; L307-V313 HydrophobicContact CD2-CG2 4.2Å; L307-L357 HydrophobicContact CD1-CD1 4.05Å; L307-L357 HydrophobicContact CD1-CD2 4.04Å; L307-I363 HydrophobicContact CD2-CG2 3.67Å
308	H	98.1	Very high	97.9	Very high	23 Å²	23	6 Å²	6	11%	0.106	3%	0.032	C	C	.	.	H	α-helix	trans	-104.1	-8.8	-179.9	-67.8	70	0	0	0	113.4	Y108 D109 P114 F280 Y283 F304 F305 A306	Y108-H308 AromaticContact CD2-CE1 3.94Å; Y108-H308 AromaticContact CD2-NE2 3.94Å; Y108-H308 AromaticContact CE2-CD2 3.92Å; Y108-H308 AromaticContact CE2-CE1 3.46Å; Y108-H308 VanDerWaalsContact CE2-CE1 3.46Å; Y108-H308 WeakPolarHBondContact CE2-CE1 3.38Å; Y108-H308 AromaticContact CE2-ND1 3.88Å; Y108-H308 AromaticContact CE2-NE2 3.49Å; Y108-H308 WeakPolarHBondContact CE2-NE2 3.25Å; D109-H308 PolarHBondContact O-CD2 2.91Å; D109-H308 PolarHBondContact O-NE2 3.47Å; P114-H308 HydrophobicContact CG-CB 4.48Å; F280-H308 AromaticContact CE2-CD2 3.76Å; F280-H308 AromaticContact CE2-CE1 3.61Å; F280-H308 AromaticContact CE2-CG 3.74Å; F280-H308 AromaticContact CE2-ND1 3.65Å; F280-H308 AromaticContact CE2-NE2 3.66Å; F280-H308 HydrophobicContact CZ-CB 4.34Å; F280-H308 AromaticContact CZ-CE1 3.79Å; F280-H308 AromaticContact CZ-CG 3.8Å; F280-H308 AromaticContact CZ-ND1 3.46Å; F280-H308 WeakPolarHBondContact CZ-ND1 3.41Å; Y283-H308 AromaticContact CE1-CE1 3.84Å; Y283-H308 AromaticContact CE1-NE2 3.68Å; F304-H308 PolarHBondContact O-N 3.03Å; F304-H308 PolarHBondContact O-ND1 3.47Å; F305-H308 PolarHBondContact O-N 3.25Å; F305-H308 VanDerWaalsContact O-N 3.1Å; A306-H308 PolarHBondContact O-N 3.5Å; A306-H308 VanDerWaalsContact O-N 3.11Å
309	V	97.6	Very high	97.5	Very high	9 Å²	9	6.7 Å²	6.7	6%	0.055	4%	0.041	C	C	.	.	H	α-helix	trans	-123.7	-6.8	-178.1	-50.8	0	0	0	0	113.7	P114 Y160 L169 M196 F305 A306	P114-V309 HydrophobicContact CG-CG1 3.75Å; Y160-V309 HydrophobicContact CD1-CB 3.7Å; Y160-V309 HydrophobicContact CD1-CG1 3.94Å; Y160-V309 HydrophobicContact CD1-CG2 4.2Å; Y160-V309 HydrophobicContact CD2-CB 4.45Å; Y160-V309 HydrophobicContact CD2-CG1 3.76Å; Y160-V309 HydrophobicContact CE1-CB 4.12Å; Y160-V309 HydrophobicContact CE1-CG1 4.32Å; Y160-V309 HydrophobicContact CE1-CG2 4.13Å; Y160-V309 HydrophobicContact CE2-CG1 4.15Å; Y160-V309 HydrophobicContact CG-CB 3.89Å; Y160-V309 HydrophobicContact CG-CG1 3.65Å; L169-V309 VanDerWaalsContact CD2-O 3.24Å; L169-V309 WeakPolarHBondContact CD2-O 3.45Å; M196-V309 HydrophobicContact CE-CG2 3.68Å; F305-V309 HydrophobicContact CD1-CG1 4.25Å; F305-V309 HydrophobicContact CD1-CG2 3.86Å; F305-V309 HydrophobicContact CE1-CG1 4.01Å; F305-V309 HydrophobicContact CE1-CG2 3.82Å; F305-V309 HydrophobicContact CZ-CG1 4.47Å; F305-V309 WeakPolarHBondContact O-CG2 3.31Å; F305-V309 PolarHBondContact O-N 3.44Å; A306-V309 PolarHBondContact O-N 3.1Å
310	C	97.9	Very high	96.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.			trans	-123.4	153.1	-174.8	-53.4	0	0	0	0	111.8	W163 C171 A306 V313	W163-C310 VanDerWaalsContact CH2-O 3.31Å; W163-C310 WeakPolarHBondContact CH2-O 3.15Å; C171-C310 HydrophobicContact CB-CB 3.59Å; C171-C310 WeakPolarHBondContact CB-SG 3.2Å; C171-C310 WeakPolarHBondContact SG-CB 3.43Å; C171-C310 CovalentContact SG-SG 2Å; C171-C310 PolarHBondContact SG-SG 2.86Å; A306-C310 WeakPolarHBondContact O-CB 3.38Å; A306-C310 PolarHBondContact O-N 3.25Å; A306-C310 PolarHBondContact O-SG 3.23Å; A306-C310 VanDerWaalsContact O-SG 3.33Å; C310-V313 HydrophobicContact CB-CG2 3.82Å
311	D	97.6	Very high	96.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-88.7	-38.8	179.8	-58.8	-42.2	0	0	0	111.7	C89 C91 C94 V95 W163 R167 L169	C89-D311 HydrophobicContact CB-CB 3.75Å; C91-D311 VanDerWaalsContact SG-CB 3.57Å; C94-D311 WeakPolarHBondContact CA-O 3.42Å; V95-D311 PolarHBondContact N-O 3.46Å; W163-D311 VanDerWaalsContact CZ3-OD1 3.22Å; W163-D311 WeakPolarHBondContact CZ3-OD1 3.4Å; R167-D311 IonicContact CZ-OD1 3.98Å; R167-D311 IonicContact CZ-OD2 3.48Å; R167-D311 IonicContact NE-OD2 3.75Å; R167-D311 IonicContact NH1-OD2 3.82Å; R167-D311 IonicContact NH2-OD1 3.58Å; R167-D311 IonicContact NH2-OD2 2.92Å; L169-D311 VanDerWaalsContact CB-OD2 3.3Å; L169-D311 WeakPolarHBondContact CB-OD2 3.3Å; L169-D311 PolarHBondContact N-OD2 3.08Å; L169-D311 PolarHBondContact O-N 2.85Å
312	E	98.1	Very high	95.4	Very high	31 Å²	31	13 Å²	13	15%	0.145	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136	172.9	-178.7	-174.6	112.1	0	0	109.6	C91 L169 R170 C171 N314	C91-E312 HydrophobicContact CB-CB 4.47Å; L169-E312 PolarHBondContact O-N 3.34Å; R170-E312 HydrophobicContact CB-CB 4.49Å; R170-E312 HydrophobicContact CG-CB 4.19Å; R170-E312 IonicContact CZ-OE1 3.28Å; R170-E312 VanDerWaalsContact CZ-OE1 3.28Å; R170-E312 IonicContact NE-OE1 2.85Å; R170-E312 PolarHBondContact NE-OE1 3.43Å; R170-E312 IonicContact NE-OE2 3.67Å; R170-E312 IonicContact NH2-OE1 2.83Å; R170-E312 PolarHBondContact NH2-OE1 3.34Å; C171-E312 PolarHBondContact N-O 2.86Å; E312-N314 PolarHBondContact OE1-ND2 3.49Å
313	V	98.7	Very high	94.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.5	-178.4	177.5	0	0	0	0	111.3	V95 V173 L303 A306 L307 C310 V315 I363 T364	V95-V313 HydrophobicContact CG2-CG2 4.07Å; V173-V313 HydrophobicContact CG2-CG1 4.02Å; L303-V313 HydrophobicContact CD1-CG1 4Å; A306-V313 HydrophobicContact CB-CG1 4.05Å; A306-V313 HydrophobicContact CB-CG2 3.96Å; L307-V313 HydrophobicContact CD2-CB 4.38Å; L307-V313 HydrophobicContact CD2-CG2 4.2Å; C310-V313 HydrophobicContact CB-CG2 3.82Å; V313-V315 HydrophobicContact CG1-CG2 4.2Å; V313-I363 HydrophobicContact CB-CG2 4.04Å; V313-I363 HydrophobicContact CG1-CG2 3.97Å; V313-I363 CarbonylContact O-C 3.6Å; V313-I363 VanDerWaalsContact O-CA 3.24Å; V313-I363 WeakPolarHBondContact O-CA 3.29Å; V313-T364 PolarHBondContact O-N 3.44Å
314	N	98.7	Very high	93.5	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.5	177.8	-65.1	-32.6	0	0	0	109.7	C171 A172 V173 H192 E312 F316 T364 F366	C171-N314 PolarHBondContact O-N 2.92Å; A172-N314 CarbonylContact C-O 3.57Å; A172-N314 WeakPolarHBondContact CA-O 3.43Å; V173-N314 PolarHBondContact N-O 3.32Å; H192-N314 WeakPolarHBondContact NE2-CB 3.46Å; H192-N314 PolarHBondContact NE2-ND2 3.09Å; E312-N314 PolarHBondContact OE1-ND2 3.49Å; N314-F316 HydrophobicContact CB-CE2 3.7Å; N314-F316 HydrophobicContact CB-CZ 4.23Å; N314-T364 CarbonylContact C-O 3.51Å; N314-T364 WeakPolarHBondContact CA-O 3.42Å; N314-T364 WeakPolarHBondContact OD1-CB 3.47Å; N314-T364 PolarHBondContact OD1-OG1 3.03Å; N314-T364 VanDerWaalsContact OD1-OG1 3.11Å; N314-F366 HydrophobicContact CB-CD2 4.5Å; N314-F366 HydrophobicContact CB-CE2 3.97Å
315	V	98.5	Very high	92.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.3	-168.7	-176.9	0	0	0	0	110.2	L303 V313 F318 I363 T364 V365 F366	L303-V315 HydrophobicContact CD1-CG2 3.53Å; V313-V315 HydrophobicContact CG1-CG2 4.2Å; V315-F318 HydrophobicContact CG1-CB 4.03Å; V315-F318 HydrophobicContact CG1-CD1 4.22Å; V315-F318 HydrophobicContact CG1-CD2 3.2Å; V315-F318 HydrophobicContact CG1-CE1 4.5Å; V315-F318 HydrophobicContact CG1-CE2 3.59Å; V315-F318 HydrophobicContact CG1-CG 3.56Å; V315-F318 HydrophobicContact CG1-CZ 4.22Å; V315-I363 HydrophobicContact CG2-CB 4.27Å; V315-I363 HydrophobicContact CG2-CD1 4.01Å; V315-T364 PolarHBondContact N-O 2.86Å; V315-V365 HydrophobicContact CB-CG2 4.5Å; V315-F366 PolarHBondContact O-N 3.02Å
316	F	98.5	Very high	91.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.8	-176.5	-58.1	-98	0	0	0	109.8	A172 V173 V174 G175 L180 Y185 I189 N314 F318 F366	A172-F316 HydrophobicContact CB-CD2 4.14Å; A172-F316 HydrophobicContact CB-CE2 3.89Å; V173-F316 PolarHBondContact O-N 3.44Å; V174-F316 CarbonylContact C-O 3.57Å; V174-F316 WeakPolarHBondContact CA-O 3.47Å; G175-F316 PolarHBondContact N-O 3.41Å; L180-F316 HydrophobicContact CD2-CB 4.05Å; Y185-F316 AromaticContact CD2-CD1 3.91Å; Y185-F316 HydrophobicContact CD2-CD1 3.91Å; Y185-F316 HydrophobicContact CD2-CE1 4.47Å; Y185-F316 HydrophobicContact CG-CD1 4.12Å; Y185-F316 HydrophobicContact CG-CE1 4.29Å; I189-F316 HydrophobicContact CD1-CB 4.19Å; I189-F316 HydrophobicContact CD1-CD1 4.07Å; I189-F316 HydrophobicContact CD1-CG 4.06Å; I189-F316 HydrophobicContact CG1-CB 4.43Å; I189-F316 HydrophobicContact CG1-CD1 3.76Å; I189-F316 HydrophobicContact CG1-CD2 3.95Å; I189-F316 HydrophobicContact CG1-CE1 3.88Å; I189-F316 HydrophobicContact CG1-CE2 4.08Å; I189-F316 HydrophobicContact CG1-CG 3.79Å; I189-F316 HydrophobicContact CG1-CZ 4.05Å; N314-F316 HydrophobicContact CB-CE2 3.7Å; N314-F316 HydrophobicContact CB-CZ 4.23Å; F316-F318 VanDerWaalsContact O-CD2 3.3Å; F316-F318 WeakPolarHBondContact O-CD2 3.34Å; F316-F366 HydrophobicContact CD1-CB 3.48Å; F316-F366 VanDerWaalsContact CD1-CB 3.48Å; F316-F366 HydrophobicContact CD1-CD1 4.18Å; F316-F366 AromaticContact CD1-CD2 3.86Å; F316-F366 HydrophobicContact CD1-CD2 3.86Å; F316-F366 AromaticContact CD1-CG 3.58Å; F316-F366 HydrophobicContact CD1-CG 3.58Å; F316-F366 HydrophobicContact CD2-CD2 4.42Å; F316-F366 HydrophobicContact CE1-CB 3.71Å; F316-F366 AromaticContact CE1-CD1 3.52Å; F316-F366 HydrophobicContact CE1-CD1 3.52Å; F316-F366 AromaticContact CE1-CD2 3.34Å; F316-F366 HydrophobicContact CE1-CD2 3.34Å; F316-F366 AromaticContact CE1-CE1 3.92Å; F316-F366 HydrophobicContact CE1-CE1 3.92Å; F316-F366 AromaticContact CE1-CE2 3.78Å; F316-F366 HydrophobicContact CE1-CE2 3.78Å; F316-F366 AromaticContact CE1-CG 3.21Å; F316-F366 HydrophobicContact CE1-CG 3.21Å; F316-F366 HydrophobicContact CE1-CZ 4.03Å; F316-F366 AromaticContact CE2-CD2 3.97Å; F316-F366 HydrophobicContact CE2-CD2 3.97Å; F316-F366 HydrophobicContact CE2-CE2 4.16Å; F316-F366 HydrophobicContact CG-CB 4.19Å; F316-F366 HydrophobicContact CG-CD2 4.37Å; F316-F366 HydrophobicContact CG-CG 4.42Å; F316-F366 HydrophobicContact CZ-CD1 4.21Å; F316-F366 AromaticContact CZ-CD2 3.39Å; F316-F366 HydrophobicContact CZ-CD2 3.39Å; F316-F366 HydrophobicContact CZ-CE1 4.24Å; F316-F366 AromaticContact CZ-CE2 3.46Å; F316-F366 HydrophobicContact CZ-CE2 3.46Å; F316-F366 VanDerWaalsContact CZ-CE2 3.46Å; F316-F366 AromaticContact CZ-CG 3.81Å; F316-F366 HydrophobicContact CZ-CG 3.81Å; F316-F366 AromaticContact CZ-CZ 3.89Å; F316-F366 HydrophobicContact CZ-CZ 3.89Å
317	G	96.4	Very high	91.2	Very high	3 Å²	3	30.2 Å²	30.2	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	74.3	27.3	172.7	0	0	0	0	0	115.2	G175 N176 S177 N179	G175-G317 CarbonylContact C-O 3.29Å; G175-G317 VanDerWaalsContact C-O 3.28Å; G175-G317 WeakPolarHBondContact CA-O 3.49Å; N176-G317 PolarHBondContact N-O 3.48Å; S177-G317 VanDerWaalsContact CB-C 3.48Å; S177-G317 WeakPolarHBondContact CB-O 3.27Å; S177-G317 PolarHBondContact N-O 2.93Å; N179-G317 VanDerWaalsContact OD1-CA 3.29Å; N179-G317 WeakPolarHBondContact OD1-CA 3.42Å
318	F	94.7	Very high	90.8	Very high	33 Å²	33	33.3 Å²	33.3	15%	0.145	18%	0.183	C	C	.	.			trans	-106	149.1	175	-80	-113.7	0	0	0	110.8	V173 N179 G299 V315 F316 I354	V173-F318 HydrophobicContact CB-CE2 4.46Å; V173-F318 HydrophobicContact CG1-CE2 3.78Å; V173-F318 HydrophobicContact CG1-CZ 3.69Å; N179-F318 PolarHBondContact ND2-O 2.7Å; G299-F318 WeakPolarHBondContact O-CE1 3.38Å; V315-F318 HydrophobicContact CG1-CB 4.03Å; V315-F318 HydrophobicContact CG1-CD1 4.22Å; V315-F318 HydrophobicContact CG1-CD2 3.2Å; V315-F318 HydrophobicContact CG1-CE1 4.5Å; V315-F318 HydrophobicContact CG1-CE2 3.59Å; V315-F318 HydrophobicContact CG1-CG 3.56Å; V315-F318 HydrophobicContact CG1-CZ 4.22Å; F316-F318 VanDerWaalsContact O-CD2 3.3Å; F316-F318 WeakPolarHBondContact O-CD2 3.34Å; F318-I354 HydrophobicContact CB-CD1 4.32Å; F318-I354 HydrophobicContact CD1-CD1 3.62Å; F318-I354 HydrophobicContact CE1-CD1 4.39Å; F318-I354 HydrophobicContact CG-CD1 4.34Å
319	G	88.1	Confident	90.6	Very high	24 Å²	24	32.3 Å²	32.3	25%	0.247	18%	0.179	C	C	.	.	S	Bend	trans	81.1	-168.1	179.1	0	0	0	0	0	114.3	S177	S177-G319 WeakPolarHBondContact CB-O 3.35Å; S177-G319 PolarHBondContact OG-O 2.96Å
320	A	84.6	Confident	90.3	Very high	29 Å²	29	34.2 Å²	34.2	24%	0.24	19%	0.185	C	C	.	.			trans	-79.4	167.4	176.3	0	0	0	0	0	112.5	N179 N325 W326	N179-A320 PolarHBondContact ND2-O 2.88Å; N179-A320 VanDerWaalsContact ND2-O 3.13Å; A320-N325 WeakPolarHBondContact CA-O 3.26Å; A320-W326 HydrophobicContact CB-CD2 4.07Å; A320-W326 HydrophobicContact CB-CG 4.12Å; A320-W326 HydrophobicContact CB-CZ2 4.34Å
321	D	82.1	Confident	89.6	Confident	15 Å²	15	37.6 Å²	37.6	8%	0.08	20%	0.201	C	C	.	.			trans	-70.5	171.4	162.3	79.9	0.1	0	0	0	111.7	N179 R323 G324 N325 H327 K369	N179-D321 HydrophobicContact CB-CB 4.3Å; D321-R323 PolarHBondContact O-N 3.38Å; D321-R323 VanDerWaalsContact OD1-C 3.27Å; D321-R323 VanDerWaalsContact OD1-CA 3.29Å; D321-R323 WeakPolarHBondContact OD1-CA 3.3Å; D321-R323 WeakPolarHBondContact OD1-CB 3.36Å; D321-R323 PolarHBondContact OD1-N 2.93Å; D321-R323 IonicContact OD2-NE 3.34Å; D321-R323 IonicContact OD2-NH2 3.59Å; D321-G324 PolarHBondContact O-N 3.46Å; D321-G324 PolarHBondContact OD1-N 3.46Å; D321-N325 PolarHBondContact N-O 2.77Å; D321-N325 WeakPolarHBondContact OD1-CA 3.43Å; D321-N325 WeakPolarHBondContact OD1-CB 3.44Å; D321-N325 PolarHBondContact OD1-N 3.45Å; D321-N325 PolarHBondContact OD1-ND2 3.22Å; D321-N325 WeakPolarHBondContact OD2-CB 3.4Å; D321-N325 PolarHBondContact OD2-ND2 2.79Å; D321-H327 IonicContact OD2-CE1 3.76Å; D321-H327 PolarHBondContact OD2-CE1 3.04Å; D321-K369 WeakPolarHBondContact CA-O 3.38Å; D321-K369 WeakPolarHBondContact CB-O 3.44Å
322	S	81.7	Confident	88.3	Confident	99 Å²	99	46.5 Å²	46.5	69%	0.692	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.6	178.3	56.9	0	0	0	0	114.7	K369	S322-K369 WeakPolarHBondContact CB-OXT 3.31Å; S322-K369 PolarHBondContact N-O 3.42Å; S322-K369 PolarHBondContact N-OXT 3.13Å; S322-K369 VanDerWaalsContact N-OXT 3.13Å; S322-K369 PolarHBondContact OG-OXT 3.3Å
323	R	79.1	Confident	86.8	Confident	192 Å²	192	47.8 Å²	47.8	73%	0.725	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	5.3	177.7	-61.2	-179.7	-65.7	-176.6	-1.5	112.2	D321 N325	D321-R323 PolarHBondContact O-N 3.38Å; D321-R323 VanDerWaalsContact OD1-C 3.27Å; D321-R323 VanDerWaalsContact OD1-CA 3.29Å; D321-R323 WeakPolarHBondContact OD1-CA 3.3Å; D321-R323 WeakPolarHBondContact OD1-CB 3.36Å; D321-R323 PolarHBondContact OD1-N 2.93Å; D321-R323 IonicContact OD2-NE 3.34Å; D321-R323 IonicContact OD2-NH2 3.59Å; R323-N325 WeakPolarHBondContact CB-ND2 3.5Å; R323-N325 PolarHBondContact O-N 2.61Å
324	G	79.3	Confident	84.7	Confident	47 Å²	47	58.9 Å²	58.9	49%	0.485	29%	0.292	S	S	.	.	S	Bend	trans	76	8.8	-178.2	0	0	0	0	0	114	D321 W326	D321-G324 PolarHBondContact O-N 3.46Å; D321-G324 PolarHBondContact OD1-N 3.46Å; G324-W326 VanDerWaalsContact O-CD1 3.31Å
325	N	79.5	Confident	82.8	Confident	47 Å²	47	66.4 Å²	66.4	25%	0.251	32%	0.321	S	S	.	.			trans	-79.4	144.4	176.6	-55.4	-63.6	0	0	0	110.6	A320 D321 R323 S336	A320-N325 WeakPolarHBondContact CA-O 3.26Å; D321-N325 PolarHBondContact N-O 2.77Å; D321-N325 WeakPolarHBondContact OD1-CA 3.43Å; D321-N325 WeakPolarHBondContact OD1-CB 3.44Å; D321-N325 PolarHBondContact OD1-N 3.45Å; D321-N325 PolarHBondContact OD1-ND2 3.22Å; D321-N325 WeakPolarHBondContact OD2-CB 3.4Å; D321-N325 PolarHBondContact OD2-ND2 2.79Å; R323-N325 WeakPolarHBondContact CB-ND2 3.5Å; R323-N325 PolarHBondContact O-N 2.61Å; N325-S336 PolarHBondContact OD1-OG 3.02Å
326	W	82.4	Confident	81	Confident	48 Å²	48	68.9 Å²	68.9	18%	0.182	34%	0.338	C	S	.	.			trans	-122.1	112	174.2	-65.6	84.1	0	0	0	110.2	A320 G324 S336 G337 F339 A347	A320-W326 HydrophobicContact CB-CD2 4.07Å; A320-W326 HydrophobicContact CB-CG 4.12Å; A320-W326 HydrophobicContact CB-CZ2 4.34Å; G324-W326 VanDerWaalsContact O-CD1 3.31Å; W326-S336 VanDerWaalsContact O-CA 3.29Å; W326-S336 WeakPolarHBondContact O-CA 3.46Å; W326-G337 PolarHBondContact O-N 3.35Å; W326-F339 HydrophobicContact CB-CD1 4.34Å; W326-F339 HydrophobicContact CB-CE1 3.05Å; W326-F339 HydrophobicContact CB-CE2 4.18Å; W326-F339 HydrophobicContact CB-CZ 2.97Å; W326-F339 AromaticContact CD1-CZ 3.92Å; W326-F339 HydrophobicContact CD2-CE1 4.21Å; W326-F339 AromaticContact CD2-CE2 3.66Å; W326-F339 HydrophobicContact CD2-CE2 3.66Å; W326-F339 AromaticContact CD2-CZ 3.22Å; W326-F339 HydrophobicContact CD2-CZ 3.22Å; W326-F339 HydrophobicContact CE3-CE1 4.29Å; W326-F339 AromaticContact CE3-CE2 3.43Å; W326-F339 HydrophobicContact CE3-CE2 3.43Å; W326-F339 VanDerWaalsContact CE3-CE2 3.43Å; W326-F339 AromaticContact CE3-CZ 3.37Å; W326-F339 HydrophobicContact CE3-CZ 3.37Å; W326-F339 AromaticContact CG-CE1 3.8Å; W326-F339 HydrophobicContact CG-CE1 3.8Å; W326-F339 HydrophobicContact CG-CE2 4.07Å; W326-F339 AromaticContact CG-CZ 3.14Å; W326-F339 HydrophobicContact CG-CZ 3.14Å; W326-F339 AromaticContact CZ3-CE2 3.9Å; W326-F339 HydrophobicContact CZ3-CE2 3.9Å; W326-F339 HydrophobicContact CZ3-CZ 4.28Å; W326-A347 HydrophobicContact CH2-CB 4.22Å
327	H	84.7	Confident	79.2	Confident	27 Å²	27	69.5 Å²	69.5	13%	0.125	34%	0.344	C	S	.	.			trans	-152.7	162.7	-176.1	58.9	-74.6	0	0	0	108.3	S177 G178 D321 N333	S177-H327 CarbonylContact C-O 3.58Å; G178-H327 PolarHBondContact N-O 3.07Å; D321-H327 IonicContact OD2-CE1 3.76Å; D321-H327 PolarHBondContact OD2-CE1 3.04Å; H327-N333 HydrophobicContact CB-CB 3.84Å
328	H	91.4	Very high	77.4	Confident	65 Å²	65	74.7 Å²	74.7	30%	0.301	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-80.3	144.5	175.1	-62.9	147.3	0	0	0	111.7	N176 R181 W330 E331	N176-H328 VanDerWaalsContact O-CA 3.22Å; N176-H328 WeakPolarHBondContact O-CA 3.26Å; R181-H328 PolarHBondContact NH2-O 3.43Å; H328-W330 HydrophobicContact CB-CD2 3.77Å; H328-W330 HydrophobicContact CB-CE3 3.8Å; H328-W330 HydrophobicContact CB-CH2 3.78Å; H328-W330 HydrophobicContact CB-CZ2 3.69Å; H328-W330 HydrophobicContact CB-CZ3 3.83Å; H328-W330 AromaticContact CD2-CH2 3.85Å; H328-W330 AromaticContact CE1-CZ2 3.97Å; H328-W330 AromaticContact CG-CE2 3.97Å; H328-W330 AromaticContact CG-CH2 3.57Å; H328-W330 AromaticContact CG-CZ2 3.49Å; H328-W330 VanDerWaalsContact CG-CZ2 3.49Å; H328-W330 AromaticContact ND1-CE2 3.93Å; H328-W330 AromaticContact ND1-CH2 3.86Å; H328-W330 AromaticContact ND1-CZ2 3.36Å; H328-W330 WeakPolarHBondContact ND1-CZ2 3.47Å; H328-W330 PolarHBondContact O-N 3.42Å; H328-W330 VanDerWaalsContact O-N 3.09Å; H328-E331 HydrophobicContact CB-CB 4.23Å; H328-E331 HydrophobicContact CB-CG 4.1Å; H328-E331 IonicContact CE1-OE1 3.52Å; H328-E331 IonicContact CG-OE1 2.9Å; H328-E331 IonicContact CG-OE2 3.71Å; H328-E331 VanDerWaalsContact ND1-CD 3.29Å; H328-E331 IonicContact ND1-OE1 2.7Å; H328-E331 PolarHBondContact ND1-OE1 2.92Å; H328-E331 IonicContact ND1-OE2 3.65Å; H328-E331 PolarHBondContact ND1-OE2 2.96Å; H328-E331 PolarHBondContact O-N 3.44Å; H328-E331 VanDerWaalsContact O-N 3.11Å
329	Y	93.1	Very high	75.8	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.008	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.9	178.2	66.5	-101.9	0	0	0	114.1	N176 L180 R181 A201 P202 Y206 A210	N176-Y329 WeakPolarHBondContact O-CD1 2.95Å; N176-Y329 PolarHBondContact O-N 3.43Å; N176-Y329 VanDerWaalsContact O-N 3.1Å; L180-Y329 HydrophobicContact CB-CD1 4.48Å; L180-Y329 HydrophobicContact CB-CG 4.46Å; L180-Y329 HydrophobicContact CD1-CD1 3.72Å; L180-Y329 HydrophobicContact CD1-CE1 3.96Å; L180-Y329 HydrophobicContact CD1-CG 4.42Å; R181-Y329 PolarHBondContact NE-O 2.94Å; R181-Y329 PolarHBondContact NH2-O 3.49Å; A201-Y329 HydrophobicContact CB-CE1 4.47Å; A201-Y329 WeakPolarHBondContact CB-OH 3.42Å; P202-Y329 HydrophobicContact CG-CE2 4.34Å; P202-Y329 VanDerWaalsContact O-CE2 3.26Å; P202-Y329 WeakPolarHBondContact O-CE2 3.25Å; P202-Y329 PolarHBondContact O-OH 3.17Å; Y206-Y329 AromaticContact CD1-CD2 3.89Å; Y206-Y329 HydrophobicContact CD1-CD2 3.89Å; Y206-Y329 HydrophobicContact CD1-CE2 4.41Å; Y206-Y329 HydrophobicContact CD2-CD2 4.36Å; Y206-Y329 HydrophobicContact CD2-CE2 4.16Å; Y206-Y329 HydrophobicContact CE1-CD2 4.42Å; Y206-Y329 WeakPolarHBondContact CE1-O 3.4Å; Y206-Y329 AromaticContact CG-CD2 3.87Å; Y206-Y329 HydrophobicContact CG-CD2 3.87Å; Y206-Y329 AromaticContact CG-CE2 3.92Å; Y206-Y329 HydrophobicContact CG-CE2 3.92Å; A210-Y329 HydrophobicContact CB-CE2 4.23Å
330	W	91	Very high	74.6	Confident	48 Å²	48	81.4 Å²	81.4	18%	0.182	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-6	175.3	65.6	89.2	0	0	0	114.3	N176 R181 A201 P202 Y206 H328	N176-W330 HydrophobicContact CB-CH2 3.64Å; N176-W330 HydrophobicContact CB-CZ3 3.58Å; N176-W330 VanDerWaalsContact CG-CH2 3.48Å; R181-W330 VanDerWaalsContact NH2-C 3.32Å; A201-W330 HydrophobicContact CB-CH2 4.17Å; A201-W330 HydrophobicContact CB-CZ3 3.89Å; P202-W330 VanDerWaalsContact CD-CG 3.5Å; P202-W330 HydrophobicContact CG-CB 3.42Å; P202-W330 VanDerWaalsContact CG-CB 3.42Å; P202-W330 HydrophobicContact CG-CD2 3.93Å; P202-W330 HydrophobicContact CG-CE3 4.29Å; P202-W330 HydrophobicContact CG-CG 3.55Å; Y206-W330 HydrophobicContact CD2-CB 4.28Å; Y206-W330 HydrophobicContact CE1-CB 4.42Å; Y206-W330 HydrophobicContact CE2-CB 3.56Å; Y206-W330 VanDerWaalsContact CZ-CA 3.48Å; Y206-W330 WeakPolarHBondContact OH-CA 3.36Å; Y206-W330 PolarHBondContact OH-O 2.82Å; H328-W330 HydrophobicContact CB-CD2 3.77Å; H328-W330 HydrophobicContact CB-CE3 3.8Å; H328-W330 HydrophobicContact CB-CH2 3.78Å; H328-W330 HydrophobicContact CB-CZ2 3.69Å; H328-W330 HydrophobicContact CB-CZ3 3.83Å; H328-W330 AromaticContact CD2-CH2 3.85Å; H328-W330 AromaticContact CE1-CZ2 3.97Å; H328-W330 AromaticContact CG-CE2 3.97Å; H328-W330 AromaticContact CG-CH2 3.57Å; H328-W330 AromaticContact CG-CZ2 3.49Å; H328-W330 VanDerWaalsContact CG-CZ2 3.49Å; H328-W330 AromaticContact ND1-CE2 3.93Å; H328-W330 AromaticContact ND1-CH2 3.86Å; H328-W330 AromaticContact ND1-CZ2 3.36Å; H328-W330 WeakPolarHBondContact ND1-CZ2 3.47Å; H328-W330 PolarHBondContact O-N 3.42Å; H328-W330 VanDerWaalsContact O-N 3.09Å
331	E	83.6	Confident	73.5	Confident	72 Å²	72	87.7 Å²	87.7	34%	0.336	41%	0.409	S	S	.	.			trans	-107.3	136.3	-176.8	-67.9	167.8	-161.1	0	0	111.4	R181 H328 N333	R181-E331 PolarHBondContact NH1-O 3.45Å; R181-E331 PolarHBondContact NH2-O 3.4Å; H328-E331 HydrophobicContact CB-CB 4.23Å; H328-E331 HydrophobicContact CB-CG 4.1Å; H328-E331 IonicContact CE1-OE1 3.52Å; H328-E331 IonicContact CG-OE1 2.9Å; H328-E331 IonicContact CG-OE2 3.71Å; H328-E331 VanDerWaalsContact ND1-CD 3.29Å; H328-E331 IonicContact ND1-OE1 2.7Å; H328-E331 PolarHBondContact ND1-OE1 2.92Å; H328-E331 IonicContact ND1-OE2 3.65Å; H328-E331 PolarHBondContact ND1-OE2 2.96Å; H328-E331 PolarHBondContact O-N 3.44Å; H328-E331 VanDerWaalsContact O-N 3.11Å; E331-N333 HydrophobicContact CB-CB 4.4Å; E331-N333 PolarHBondContact O-N 3.1Å; E331-N333 VanDerWaalsContact O-N 3.1Å
332	Q	70.8	Confident	72.8	Confident	187 Å²	187	91.1 Å²	91.1	87%	0.874	43%	0.431	S	S	*	.			trans	-83.7	72.9	164.3	-66.7	-170.1	2.6	0	0	108.1	R334	Q332-R334 PolarHBondContact O-N 2.78Å
333	N	66.5	Low	72.4	Confident	58 Å²	58	88.9 Å²	88.9	31%	0.31	42%	0.424	S	S	.	.			trans	-79.6	121.1	-172.7	-168.7	3.5	0	0	0	111.5	H327 E331 Y335	H327-N333 HydrophobicContact CB-CB 3.84Å; E331-N333 HydrophobicContact CB-CB 4.4Å; E331-N333 PolarHBondContact O-N 3.1Å; E331-N333 VanDerWaalsContact O-N 3.1Å; N333-Y335 PolarHBondContact ND2-O 3.15Å; N333-Y335 VanDerWaalsContact ND2-O 3.11Å; N333-Y335 WeakPolarHBondContact OD1-CA 3.46Å; N333-Y335 PolarHBondContact OD1-N 3.41Å
334	R	55	Low	72.6	Confident	233 Å²	233	81.6 Å²	81.6	88%	0.879	40%	0.4	S	S	*	.	S	Bend	trans	-83	-12.1	170.7	-70.7	-177.1	178.4	176.3	-0.9	113.4	Q332	Q332-R334 PolarHBondContact O-N 2.78Å
335	Y	57.4	Low	73	Confident	166 Å²	166	82 Å²	82	65%	0.651	39%	0.39	S	S	*	.	S	Bend	trans	-120.3	61.1	-175.4	-54.2	-75	0	0	0	111	N333 G337	N333-Y335 PolarHBondContact ND2-O 3.15Å; N333-Y335 VanDerWaalsContact ND2-O 3.11Å; N333-Y335 WeakPolarHBondContact OD1-CA 3.46Å; N333-Y335 PolarHBondContact OD1-N 3.41Å; Y335-G337 PolarHBondContact O-N 3.33Å
336	S	61.5	Low	73.5	Confident	51 Å²	51	82 Å²	82	36%	0.357	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.4	175.7	52.9	0	0	0	0	111.2	N325 W326	N325-S336 PolarHBondContact OD1-OG 3.02Å; W326-S336 VanDerWaalsContact O-CA 3.29Å; W326-S336 WeakPolarHBondContact O-CA 3.46Å
337	G	60.1	Low	73.7	Confident	13 Å²	13	80.5 Å²	80.5	13%	0.134	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	3.4	172.8	0	0	0	0	0	118.1	W326 Y335 F339 R340	W326-G337 PolarHBondContact O-N 3.35Å; Y335-G337 PolarHBondContact O-N 3.33Å; G337-F339 VanDerWaalsContact C-N 3.26Å; G337-F339 PolarHBondContact O-N 3.49Å; G337-R340 PolarHBondContact O-N 3.12Å
338	E	59.6	Low	73.9	Confident	112 Å²	112	82.8 Å²	82.8	52%	0.523	40%	0.401	S	S	.	.	H	α-helix	trans	-53.4	-40	179.9	-159.4	100.9	-132.1	0	0	113.2	R340 K341	E338-R340 VanDerWaalsContact C-N 3.33Å; E338-R340 PolarHBondContact O-N 3.43Å; E338-K341 WeakPolarHBondContact O-CB 3.32Å; E338-K341 PolarHBondContact O-N 3.42Å
339	F	60.3	Low	74	Confident	84 Å²	84	81.4 Å²	81.4	37%	0.368	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-31.4	179.7	63.5	-77	0	0	0	112.6	W326 G337 K341 T342	W326-F339 HydrophobicContact CB-CD1 4.34Å; W326-F339 HydrophobicContact CB-CE1 3.05Å; W326-F339 HydrophobicContact CB-CE2 4.18Å; W326-F339 HydrophobicContact CB-CZ 2.97Å; W326-F339 AromaticContact CD1-CZ 3.92Å; W326-F339 HydrophobicContact CD2-CE1 4.21Å; W326-F339 AromaticContact CD2-CE2 3.66Å; W326-F339 HydrophobicContact CD2-CE2 3.66Å; W326-F339 AromaticContact CD2-CZ 3.22Å; W326-F339 HydrophobicContact CD2-CZ 3.22Å; W326-F339 HydrophobicContact CE3-CE1 4.29Å; W326-F339 AromaticContact CE3-CE2 3.43Å; W326-F339 HydrophobicContact CE3-CE2 3.43Å; W326-F339 VanDerWaalsContact CE3-CE2 3.43Å; W326-F339 AromaticContact CE3-CZ 3.37Å; W326-F339 HydrophobicContact CE3-CZ 3.37Å; W326-F339 AromaticContact CG-CE1 3.8Å; W326-F339 HydrophobicContact CG-CE1 3.8Å; W326-F339 HydrophobicContact CG-CE2 4.07Å; W326-F339 AromaticContact CG-CZ 3.14Å; W326-F339 HydrophobicContact CG-CZ 3.14Å; W326-F339 AromaticContact CZ3-CE2 3.9Å; W326-F339 HydrophobicContact CZ3-CE2 3.9Å; W326-F339 HydrophobicContact CZ3-CZ 4.28Å; G337-F339 VanDerWaalsContact C-N 3.26Å; G337-F339 PolarHBondContact O-N 3.49Å; F339-K341 VanDerWaalsContact C-N 3.27Å; F339-K341 PolarHBondContact O-N 3.01Å; F339-T342 PolarHBondContact O-N 2.86Å; F339-T342 PolarHBondContact O-OG1 3.38Å
340	R	63.2	Low	74.1	Confident	115 Å²	115	82.2 Å²	82.2	43%	0.434	40%	0.398	S	S	.	.	H	α-helix	trans	-68	-26.7	172.5	-68.4	-179.4	75.5	179.8	4.1	112.4	G337 E338 T342 A347 D348	G337-R340 PolarHBondContact O-N 3.12Å; E338-R340 VanDerWaalsContact C-N 3.33Å; E338-R340 PolarHBondContact O-N 3.43Å; R340-T342 VanDerWaalsContact C-N 3.33Å; R340-A347 HydrophobicContact CG-CB 4.38Å; R340-D348 IonicContact CZ-OD1 3.63Å; R340-D348 IonicContact CZ-OD2 3.63Å; R340-D348 IonicContact NH2-OD1 3.02Å; R340-D348 PolarHBondContact NH2-OD1 3.4Å; R340-D348 IonicContact NH2-OD2 3.96Å; R340-D348 PolarHBondContact NH2-OD2 3.31Å
341	K	60.4	Low	74.2	Confident	160 Å²	160	81.4 Å²	81.4	70%	0.696	40%	0.401	S	S	*	.	H	α-helix	trans	-75.6	-22.7	-177.6	-59.5	-179.2	-176.4	173.5	0	113	E338 F339 G343	E338-K341 WeakPolarHBondContact O-CB 3.32Å; E338-K341 PolarHBondContact O-N 3.42Å; F339-K341 VanDerWaalsContact C-N 3.27Å; F339-K341 PolarHBondContact O-N 3.01Å; K341-G343 VanDerWaalsContact C-N 3.3Å; K341-G343 PolarHBondContact O-N 3.47Å
342	T	67.3	Low	74.8	Confident	87 Å²	87	82.6 Å²	82.6	53%	0.534	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-24.4	-177.4	67.4	0	0	0	0	113.4	F339 R340 V344	F339-T342 PolarHBondContact O-N 2.86Å; F339-T342 PolarHBondContact O-OG1 3.38Å; R340-T342 VanDerWaalsContact C-N 3.33Å; T342-V344 PolarHBondContact O-N 3.01Å; T342-V344 VanDerWaalsContact O-N 3.12Å
343	G	74.1	Confident	76.1	Confident	53 Å²	53	73.8 Å²	73.8	55%	0.546	37%	0.365	S	S	.	.			trans	64.7	8.3	-178	0	0	0	0	0	115.1	K341	K341-G343 VanDerWaalsContact C-N 3.3Å; K341-G343 PolarHBondContact O-N 3.47Å
344	V	84.3	Confident	77.6	Confident	38 Å²	38	71.9 Å²	71.9	23%	0.23	36%	0.355	C	S	.	.	S	Bend	trans	-70.5	-37	-179.8	177.3	0	0	0	0	111.2	R294 Y295 T342	R294-V344 WeakPolarHBondContact CB-O 3.42Å; R294-V344 PolarHBondContact N-O 2.94Å; Y295-V344 HydrophobicContact CD1-CG1 4.41Å; Y295-V344 HydrophobicContact CD2-CG1 4.39Å; Y295-V344 HydrophobicContact CE1-CG1 3.79Å; Y295-V344 HydrophobicContact CE2-CG1 3.74Å; Y295-V344 PolarHBondContact N-O 3.18Å; Y295-V344 WeakPolarHBondContact OH-CG1 3.48Å; T342-V344 PolarHBondContact O-N 3.01Å; T342-V344 VanDerWaalsContact O-N 3.12Å
345	H	87	Confident	79.6	Confident	57 Å²	57	68 Å²	68	26%	0.264	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-123.6	146.8	179.1	-48.6	-66.3	0	0	0	109.5	Y295 P296 S297 A347	Y295-H345 AromaticContact CD2-CE1 3.38Å; Y295-H345 WeakPolarHBondContact CD2-CE1 3.14Å; Y295-H345 AromaticContact CD2-ND1 3.85Å; Y295-H345 AromaticContact CE2-CE1 3.27Å; Y295-H345 WeakPolarHBondContact CE2-CE1 3.36Å; Y295-H345 PolarHBondContact O-ND1 3.21Å; P296-H345 VanDerWaalsContact C-ND1 3.34Å; P296-H345 PolarHBondContact O-CE1 3.09Å; P296-H345 VanDerWaalsContact O-CE1 3.3Å; P296-H345 PolarHBondContact O-ND1 3.11Å; S297-H345 PolarHBondContact N-ND1 3.06Å; H345-A347 PolarHBondContact O-N 3.28Å
346	D	89.5	Confident	81.5	Confident	47 Å²	47	64 Å²	64	25%	0.251	33%	0.331	S	S	.	.			trans	-93.4	87.1	172.6	-169.8	-23.7	0	0	0	110	H292 D348 F349 E350	H292-D346 HydrophobicContact CB-CB 3.78Å; H292-D346 IonicContact CE1-OD2 2.93Å; H292-D346 IonicContact CG-OD2 2.68Å; H292-D346 IonicContact ND1-OD2 3.41Å; H292-D346 PolarHBondContact ND1-OD2 3.22Å; D346-D348 PolarHBondContact O-N 3.05Å; D346-D348 PolarHBondContact OD1-N 2.82Å; D346-F349 HydrophobicContact CB-CB 3.96Å; D346-F349 VanDerWaalsContact CG-CB 3.42Å; D346-F349 PolarHBondContact O-N 2.95Å; D346-F349 WeakPolarHBondContact OD1-CB 3.49Å; D346-F349 PolarHBondContact OD1-N 2.63Å; D346-E350 WeakPolarHBondContact O-CB 3.38Å; D346-E350 WeakPolarHBondContact O-CG 3.42Å; D346-E350 PolarHBondContact O-N 3.35Å
347	A	86.7	Confident	83.2	Confident	16 Å²	16	61.5 Å²	61.5	13%	0.132	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-28.4	-176.6	0	0	0	0	0	113.2	W326 R340 H345 A351	W326-A347 HydrophobicContact CH2-CB 4.22Å; R340-A347 HydrophobicContact CG-CB 4.38Å; H345-A347 PolarHBondContact O-N 3.28Å; A347-A351 WeakPolarHBondContact O-CB 3.41Å; A347-A351 PolarHBondContact O-N 2.98Å
348	D	89.4	Confident	85	Confident	75 Å²	75	62.7 Å²	62.7	40%	0.401	32%	0.323	S	S	.	.	H	α-helix	trans	-75.4	-41.7	179.8	-67.3	-41.9	0	0	0	110.4	R340 D346 A351 Q352	R340-D348 IonicContact CZ-OD1 3.63Å; R340-D348 IonicContact CZ-OD2 3.63Å; R340-D348 IonicContact NH2-OD1 3.02Å; R340-D348 PolarHBondContact NH2-OD1 3.4Å; R340-D348 IonicContact NH2-OD2 3.96Å; R340-D348 PolarHBondContact NH2-OD2 3.31Å; D346-D348 PolarHBondContact O-N 3.05Å; D346-D348 PolarHBondContact OD1-N 2.82Å; D348-A351 PolarHBondContact O-N 3.48Å; D348-Q352 WeakPolarHBondContact O-CG 3.37Å; D348-Q352 PolarHBondContact O-N 3.22Å; D348-Q352 VanDerWaalsContact O-N 3.12Å
349	F	93.8	Very high	86.8	Confident	35 Å²	35	66.6 Å²	66.6	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-43.6	173.6	-163.1	-97	0	0	0	111.7	T289 R290 H292 D346 A351 Q352 I353	T289-F349 WeakPolarHBondContact O-CE1 3.34Å; R290-F349 HydrophobicContact CB-CE1 4.49Å; R290-F349 HydrophobicContact CB-CZ 4.31Å; R290-F349 HydrophobicContact CG-CZ 4.49Å; H292-F349 HydrophobicContact CB-CB 3.99Å; H292-F349 HydrophobicContact CB-CD1 3.79Å; H292-F349 HydrophobicContact CB-CD2 4.41Å; H292-F349 HydrophobicContact CB-CE1 4.41Å; H292-F349 HydrophobicContact CB-CG 3.8Å; H292-F349 AromaticContact CD2-CD2 3.74Å; H292-F349 AromaticContact CD2-CE1 3.99Å; H292-F349 AromaticContact CD2-CE2 3.64Å; H292-F349 AromaticContact CD2-CG 3.96Å; H292-F349 AromaticContact CD2-CZ 3.77Å; H292-F349 AromaticContact CE1-CD2 3.69Å; H292-F349 AromaticContact CE1-CE2 3.98Å; H292-F349 AromaticContact CG-CD1 3.89Å; H292-F349 AromaticContact CG-CD2 3.7Å; H292-F349 AromaticContact CG-CG 3.59Å; H292-F349 AromaticContact ND1-CD2 3.67Å; H292-F349 AromaticContact ND1-CG 3.83Å; H292-F349 AromaticContact NE2-CD2 3.74Å; H292-F349 AromaticContact NE2-CE2 3.57Å; D346-F349 HydrophobicContact CB-CB 3.96Å; D346-F349 VanDerWaalsContact CG-CB 3.42Å; D346-F349 PolarHBondContact O-N 2.95Å; D346-F349 WeakPolarHBondContact OD1-CB 3.49Å; D346-F349 PolarHBondContact OD1-N 2.63Å; F349-A351 VanDerWaalsContact C-N 3.32Å; F349-A351 PolarHBondContact O-N 3.33Å; F349-Q352 WeakPolarHBondContact O-CB 3.18Å; F349-Q352 PolarHBondContact O-N 2.98Å; F349-I353 HydrophobicContact CD1-CD1 3.75Å; F349-I353 HydrophobicContact CD1-CG1 4.22Å; F349-I353 HydrophobicContact CE1-CD1 3.77Å; F349-I353 HydrophobicContact CE1-CG1 4.11Å; F349-I353 WeakPolarHBondContact O-CG1 3.5Å; F349-I353 PolarHBondContact O-N 2.96Å
350	E	95.1	Very high	88.5	Confident	20 Å²	20	63 Å²	63	9%	0.093	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-42.8	173.6	-79.3	-171.1	-169.8	0	0	112.6	S297 M300 D346 Q352 I353 I354	S297-E350 WeakPolarHBondContact CB-OE1 3.24Å; S297-E350 VanDerWaalsContact CB-OE2 3.24Å; S297-E350 WeakPolarHBondContact CB-OE2 3.21Å; S297-E350 PolarHBondContact N-OE1 3.48Å; S297-E350 PolarHBondContact OG-OE1 3.21Å; S297-E350 PolarHBondContact OG-OE2 3.36Å; M300-E350 HydrophobicContact CB-CG 4.33Å; M300-E350 HydrophobicContact CE-CB 3.53Å; M300-E350 HydrophobicContact CE-CG 3.71Å; M300-E350 HydrophobicContact CG-CG 4.2Å; D346-E350 WeakPolarHBondContact O-CB 3.38Å; D346-E350 WeakPolarHBondContact O-CG 3.42Å; D346-E350 PolarHBondContact O-N 3.35Å; E350-Q352 VanDerWaalsContact C-N 3.3Å; E350-Q352 PolarHBondContact O-N 2.94Å; E350-I353 PolarHBondContact O-N 3.19Å; E350-I354 WeakPolarHBondContact O-CG1 3.36Å; E350-I354 PolarHBondContact O-N 3.48Å; E350-I354 VanDerWaalsContact O-N 3.13Å
351	A	93.4	Very high	90.1	Very high	30 Å²	30	59.3 Å²	59.3	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-32.8	175.6	0	0	0	0	0	112.7	A347 D348 F349 K355	A347-A351 WeakPolarHBondContact O-CB 3.41Å; A347-A351 PolarHBondContact O-N 2.98Å; D348-A351 PolarHBondContact O-N 3.48Å; F349-A351 VanDerWaalsContact C-N 3.32Å; F349-A351 PolarHBondContact O-N 3.33Å; A351-K355 WeakPolarHBondContact O-CG 3.45Å; A351-K355 PolarHBondContact O-N 3.09Å
352	Q	95.9	Very high	91.9	Very high	97 Å²	97	52.1 Å²	52.1	45%	0.453	29%	0.291	S	S	.	.	H	α-helix	trans	-68.1	-41	174.4	-68.6	173.8	31.9	0	0	111.9	D348 F349 E350 I354 K355 Q356	D348-Q352 WeakPolarHBondContact O-CG 3.37Å; D348-Q352 PolarHBondContact O-N 3.22Å; D348-Q352 VanDerWaalsContact O-N 3.12Å; F349-Q352 WeakPolarHBondContact O-CB 3.18Å; F349-Q352 PolarHBondContact O-N 2.98Å; E350-Q352 VanDerWaalsContact C-N 3.3Å; E350-Q352 PolarHBondContact O-N 2.94Å; Q352-I354 VanDerWaalsContact C-N 3.35Å; Q352-I354 PolarHBondContact O-N 3.44Å; Q352-K355 WeakPolarHBondContact O-CB 3.39Å; Q352-K355 PolarHBondContact O-N 3.46Å; Q352-Q356 WeakPolarHBondContact O-CG 3.44Å; Q352-Q356 PolarHBondContact O-N 3.04Å
353	I	97.7	Very high	93.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-47.1	175.8	-65	167	0	0	0	110.3	W103 W288 T289 M300 F304 F349 E350 K355 Q356 L357	W103-I353 HydrophobicContact CH2-CG2 4.36Å; W288-I353 VanDerWaalsContact O-CD1 3.24Å; W288-I353 WeakPolarHBondContact O-CD1 3.44Å; T289-I353 HydrophobicContact CG2-CD1 4.05Å; M300-I353 HydrophobicContact SD-CG2 4.42Å; F304-I353 HydrophobicContact CE2-CG2 4.27Å; F304-I353 HydrophobicContact CZ-CG2 3.97Å; F349-I353 HydrophobicContact CD1-CD1 3.75Å; F349-I353 HydrophobicContact CD1-CG1 4.22Å; F349-I353 HydrophobicContact CE1-CD1 3.77Å; F349-I353 HydrophobicContact CE1-CG1 4.11Å; F349-I353 WeakPolarHBondContact O-CG1 3.5Å; F349-I353 PolarHBondContact O-N 2.96Å; E350-I353 PolarHBondContact O-N 3.19Å; I353-K355 VanDerWaalsContact C-N 3.29Å; I353-K355 PolarHBondContact O-N 3.35Å; I353-Q356 PolarHBondContact O-N 2.97Å; I353-L357 HydrophobicContact CG2-CD1 3.94Å; I353-L357 HydrophobicContact CG2-CG 4.29Å; I353-L357 WeakPolarHBondContact O-CG 3.31Å; I353-L357 PolarHBondContact O-N 3.49Å
354	I	97.8	Very high	94.5	Very high	17 Å²	17	49.3 Å²	49.3	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-42.8	178	-67.4	167.3	0	0	0	110.9	M300 L303 F318 E350 Q352 Q356 L357 A358 I363 V365	M300-I354 HydrophobicContact CE-CD1 3.84Å; M300-I354 HydrophobicContact CE-CG1 3.92Å; L303-I354 HydrophobicContact CD2-CD1 4.43Å; L303-I354 HydrophobicContact CD2-CG1 3.75Å; F318-I354 HydrophobicContact CB-CD1 4.32Å; F318-I354 HydrophobicContact CD1-CD1 3.62Å; F318-I354 HydrophobicContact CE1-CD1 4.39Å; F318-I354 HydrophobicContact CG-CD1 4.34Å; E350-I354 WeakPolarHBondContact O-CG1 3.36Å; E350-I354 PolarHBondContact O-N 3.48Å; E350-I354 VanDerWaalsContact O-N 3.13Å; Q352-I354 VanDerWaalsContact C-N 3.35Å; Q352-I354 PolarHBondContact O-N 3.44Å; I354-Q356 PolarHBondContact O-N 3.04Å; I354-L357 PolarHBondContact O-N 2.74Å; I354-A358 WeakPolarHBondContact O-CB 3.45Å; I354-A358 PolarHBondContact O-N 3.34Å; I354-I363 HydrophobicContact CG2-CD1 4Å; I354-V365 HydrophobicContact CG2-CG2 3.7Å
355	K	97.1	Very high	95.1	Very high	153 Å²	153	49.7 Å²	49.7	67%	0.665	27%	0.265	S	S	*	.	H	α-helix	trans	-63.5	-39.7	175.4	-71.7	174.3	-177.8	179.9	0	112.3	A351 Q352 I353 A358 K359	A351-K355 WeakPolarHBondContact O-CG 3.45Å; A351-K355 PolarHBondContact O-N 3.09Å; Q352-K355 WeakPolarHBondContact O-CB 3.39Å; Q352-K355 PolarHBondContact O-N 3.46Å; I353-K355 VanDerWaalsContact C-N 3.29Å; I353-K355 PolarHBondContact O-N 3.35Å; K355-A358 PolarHBondContact O-N 3.49Å; K355-K359 WeakPolarHBondContact O-CB 3.47Å; K355-K359 PolarHBondContact O-N 3.37Å
356	Q	97.3	Very high	95.6	Very high	80 Å²	80	49.8 Å²	49.8	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-42.5	177.7	-71.7	-175.9	42.4	0	0	111.8	W103 Q352 I353 I354 A358 K359 A360	W103-Q356 HydrophobicContact CE3-CB 4.26Å; W103-Q356 HydrophobicContact CH2-CB 3.66Å; W103-Q356 HydrophobicContact CZ2-CB 4.06Å; W103-Q356 HydrophobicContact CZ3-CB 3.77Å; Q352-Q356 WeakPolarHBondContact O-CG 3.44Å; Q352-Q356 PolarHBondContact O-N 3.04Å; I353-Q356 PolarHBondContact O-N 2.97Å; I354-Q356 PolarHBondContact O-N 3.04Å; Q356-A358 VanDerWaalsContact C-N 3.33Å; Q356-A358 PolarHBondContact O-N 3.07Å; Q356-K359 PolarHBondContact O-N 2.99Å; Q356-A360 WeakPolarHBondContact O-CB 3.39Å; Q356-A360 PolarHBondContact O-N 3.23Å
357	L	98.3	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-43.8	173.7	-71.6	168.4	0	0	0	111.8	W103 F104 W288 L303 F304 L307 I353 I354 A360 G361 K362 I363	W103-L357 HydrophobicContact CH2-CD2 4.08Å; W103-L357 HydrophobicContact CH2-CG 4.06Å; W103-L357 HydrophobicContact CZ3-CD2 3.99Å; W103-L357 HydrophobicContact CZ3-CG 4.25Å; F104-L357 HydrophobicContact CD2-CD2 3.74Å; F104-L357 HydrophobicContact CE2-CD2 3.73Å; W288-L357 HydrophobicContact CZ3-CD2 4.13Å; L303-L357 HydrophobicContact CD2-CD1 3.96Å; F304-L357 HydrophobicContact CZ-CD1 4.33Å; L307-L357 HydrophobicContact CD1-CD1 4.05Å; L307-L357 HydrophobicContact CD1-CD2 4.04Å; I353-L357 HydrophobicContact CG2-CD1 3.94Å; I353-L357 HydrophobicContact CG2-CG 4.29Å; I353-L357 WeakPolarHBondContact O-CG 3.31Å; I353-L357 PolarHBondContact O-N 3.49Å; I354-L357 PolarHBondContact O-N 2.74Å; L357-A360 CarbonylContact O-C 3.59Å; L357-A360 PolarHBondContact O-N 2.96Å; L357-G361 PolarHBondContact O-N 2.93Å; L357-K362 HydrophobicContact CD2-CB 4.33Å; L357-K362 PolarHBondContact O-N 2.91Å; L357-I363 HydrophobicContact CB-CD1 3.62Å; L357-I363 HydrophobicContact CB-CG1 3.76Å; L357-I363 HydrophobicContact CB-CG2 4.41Å; L357-I363 HydrophobicContact CD1-CD1 4.21Å
358	A	97.6	Very high	96	Very high	38 Å²	38	52.7 Å²	52.7	31%	0.314	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-43.3	176.7	0	0	0	0	0	111.8	I354 K355 Q356 A360 G361 I363 V365	I354-A358 WeakPolarHBondContact O-CB 3.45Å; I354-A358 PolarHBondContact O-N 3.34Å; K355-A358 PolarHBondContact O-N 3.49Å; Q356-A358 VanDerWaalsContact C-N 3.33Å; Q356-A358 PolarHBondContact O-N 3.07Å; A358-A360 VanDerWaalsContact C-N 3.27Å; A358-A360 PolarHBondContact O-N 3.44Å; A358-G361 PolarHBondContact O-N 3.43Å; A358-I363 HydrophobicContact CB-CG1 4.12Å; A358-V365 HydrophobicContact CB-CG2 3.93Å
359	K	97	Very high	95.9	Very high	193 Å²	193	55.6 Å²	55.6	84%	0.839	30%	0.295	S	S	*	.	H	α-helix	trans	-62.2	-35.1	175.5	-175.4	-178	175.9	-172.9	0	112.1	K355 Q356 G361	K355-K359 WeakPolarHBondContact O-CB 3.47Å; K355-K359 PolarHBondContact O-N 3.37Å; Q356-K359 PolarHBondContact O-N 2.99Å; K359-G361 PolarHBondContact O-N 3Å
360	A	96.5	Very high	96	Very high	9 Å²	9	56.7 Å²	56.7	7%	0.074	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	0.5	174.7	0	0	0	0	0	113.5	V100 Q356 L357 A358 K362	V100-A360 VanDerWaalsContact CG1-O 3.22Å; V100-A360 WeakPolarHBondContact CG1-O 3.47Å; Q356-A360 WeakPolarHBondContact O-CB 3.39Å; Q356-A360 PolarHBondContact O-N 3.23Å; L357-A360 CarbonylContact O-C 3.59Å; L357-A360 PolarHBondContact O-N 2.96Å; A358-A360 VanDerWaalsContact C-N 3.27Å; A358-A360 PolarHBondContact O-N 3.44Å; A360-K362 HydrophobicContact CB-CG 4.05Å; A360-K362 PolarHBondContact O-N 3.31Å
361	G	96.3	Very high	96.1	Very high	38 Å²	38	58.6 Å²	58.6	39%	0.392	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	13.6	-179.2	0	0	0	0	0	114.4	S93 L357 A358 K359	S93-G361 PolarHBondContact OG-O 3.24Å; L357-G361 PolarHBondContact O-N 2.93Å; A358-G361 PolarHBondContact O-N 3.43Å; K359-G361 PolarHBondContact O-N 3Å
362	K	97.1	Very high	96.2	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.035	32%	0.317	C	S	.	.	S	Bend	trans	-84.9	-19.4	-176.6	-62.5	-67.3	-179.4	176.8	0	113.2	V95 D97 F104 L357 A360	V95-K362 WeakPolarHBondContact O-CD 3.46Å; V95-K362 PolarHBondContact O-NZ 3.09Å; D97-K362 PolarHBondContact O-NZ 2.92Å; F104-K362 HydrophobicContact CD1-CD 4.03Å; F104-K362 VanDerWaalsContact CD1-CE 3.45Å; F104-K362 HydrophobicContact CD1-CG 4.28Å; F104-K362 HydrophobicContact CD2-CB 4.3Å; F104-K362 HydrophobicContact CD2-CD 4.24Å; F104-K362 HydrophobicContact CD2-CG 3.66Å; F104-K362 HydrophobicContact CE1-CD 3.88Å; F104-K362 HydrophobicContact CE1-CG 4.36Å; F104-K362 HydrophobicContact CE2-CB 4.06Å; F104-K362 HydrophobicContact CE2-CD 4.1Å; F104-K362 HydrophobicContact CE2-CG 3.75Å; F104-K362 HydrophobicContact CG-CD 4.19Å; F104-K362 HydrophobicContact CG-CG 3.92Å; F104-K362 HydrophobicContact CZ-CD 3.91Å; F104-K362 HydrophobicContact CZ-CG 4.1Å; L357-K362 HydrophobicContact CD2-CB 4.33Å; L357-K362 PolarHBondContact O-N 2.91Å; A360-K362 HydrophobicContact CB-CG 4.05Å; A360-K362 PolarHBondContact O-N 3.31Å
363	I	98.2	Very high	96.2	Very high	9 Å²	9	58 Å²	58	5%	0.046	31%	0.309	C	S	.	.			trans	-142.4	156.7	174.5	66.2	177.9	0	0	0	110.7	L303 L307 V313 V315 I354 L357 A358 V365	L303-I363 HydrophobicContact CD1-CG2 4.21Å; L303-I363 HydrophobicContact CD2-CD1 4.49Å; L307-I363 HydrophobicContact CD2-CG2 3.67Å; V313-I363 HydrophobicContact CB-CG2 4.04Å; V313-I363 HydrophobicContact CG1-CG2 3.97Å; V313-I363 CarbonylContact O-C 3.6Å; V313-I363 VanDerWaalsContact O-CA 3.24Å; V313-I363 WeakPolarHBondContact O-CA 3.29Å; V315-I363 HydrophobicContact CG2-CB 4.27Å; V315-I363 HydrophobicContact CG2-CD1 4.01Å; I354-I363 HydrophobicContact CG2-CD1 4Å; L357-I363 HydrophobicContact CB-CD1 3.62Å; L357-I363 HydrophobicContact CB-CG1 3.76Å; L357-I363 HydrophobicContact CB-CG2 4.41Å; L357-I363 HydrophobicContact CD1-CD1 4.21Å; A358-I363 HydrophobicContact CB-CG1 4.12Å; I363-V365 HydrophobicContact CD1-CG2 3.75Å; I363-V365 HydrophobicContact CG1-CG2 4.05Å
364	T	98.3	Very high	96.1	Very high	73 Å²	73	61.4 Å²	61.4	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.9	163.7	-47.8	0	0	0	0	109.7	V313 N314 V315 F366	V313-T364 PolarHBondContact O-N 3.44Å; N314-T364 CarbonylContact C-O 3.51Å; N314-T364 WeakPolarHBondContact CA-O 3.42Å; N314-T364 WeakPolarHBondContact OD1-CB 3.47Å; N314-T364 PolarHBondContact OD1-OG1 3.03Å; N314-T364 VanDerWaalsContact OD1-OG1 3.11Å; V315-T364 PolarHBondContact N-O 2.86Å; T364-F366 HydrophobicContact CG2-CD2 4.48Å; T364-F366 HydrophobicContact CG2-CE2 3.94Å; T364-F366 HydrophobicContact CG2-CZ 4.46Å
365	V	97.6	Very high	96	Very high	46 Å²	46	64.4 Å²	64.4	28%	0.279	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	-179.6	-178.2	0	0	0	0	110.3	V315 I354 A358 I363 T367	V315-V365 HydrophobicContact CB-CG2 4.5Å; I354-V365 HydrophobicContact CG2-CG2 3.7Å; A358-V365 HydrophobicContact CB-CG2 3.93Å; I363-V365 HydrophobicContact CD1-CG2 3.75Å; I363-V365 HydrophobicContact CG1-CG2 4.05Å; V365-T367 HydrophobicContact CG1-CG2 4.27Å
366	F	97.3	Very high	95.9	Very high	58 Å²	58	58.1 Å²	58.1	25%	0.254	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	99.5	171.5	-68.7	-101.7	0	0	0	108.5	Y185 N314 V315 F316 T364 G368	Y185-F366 HydrophobicContact CD1-CD1 4.34Å; Y185-F366 HydrophobicContact CD2-CB 4.34Å; Y185-F366 AromaticContact CE1-CD1 3.99Å; Y185-F366 HydrophobicContact CE1-CD1 3.99Å; Y185-F366 HydrophobicContact CE2-CB 3.85Å; N314-F366 HydrophobicContact CB-CD2 4.5Å; N314-F366 HydrophobicContact CB-CE2 3.97Å; V315-F366 PolarHBondContact O-N 3.02Å; F316-F366 HydrophobicContact CD1-CB 3.48Å; F316-F366 VanDerWaalsContact CD1-CB 3.48Å; F316-F366 HydrophobicContact CD1-CD1 4.18Å; F316-F366 AromaticContact CD1-CD2 3.86Å; F316-F366 HydrophobicContact CD1-CD2 3.86Å; F316-F366 AromaticContact CD1-CG 3.58Å; F316-F366 HydrophobicContact CD1-CG 3.58Å; F316-F366 HydrophobicContact CD2-CD2 4.42Å; F316-F366 HydrophobicContact CE1-CB 3.71Å; F316-F366 AromaticContact CE1-CD1 3.52Å; F316-F366 HydrophobicContact CE1-CD1 3.52Å; F316-F366 AromaticContact CE1-CD2 3.34Å; F316-F366 HydrophobicContact CE1-CD2 3.34Å; F316-F366 AromaticContact CE1-CE1 3.92Å; F316-F366 HydrophobicContact CE1-CE1 3.92Å; F316-F366 AromaticContact CE1-CE2 3.78Å; F316-F366 HydrophobicContact CE1-CE2 3.78Å; F316-F366 AromaticContact CE1-CG 3.21Å; F316-F366 HydrophobicContact CE1-CG 3.21Å; F316-F366 HydrophobicContact CE1-CZ 4.03Å; F316-F366 AromaticContact CE2-CD2 3.97Å; F316-F366 HydrophobicContact CE2-CD2 3.97Å; F316-F366 HydrophobicContact CE2-CE2 4.16Å; F316-F366 HydrophobicContact CG-CB 4.19Å; F316-F366 HydrophobicContact CG-CD2 4.37Å; F316-F366 HydrophobicContact CG-CG 4.42Å; F316-F366 HydrophobicContact CZ-CD1 4.21Å; F316-F366 AromaticContact CZ-CD2 3.39Å; F316-F366 HydrophobicContact CZ-CD2 3.39Å; F316-F366 HydrophobicContact CZ-CE1 4.24Å; F316-F366 AromaticContact CZ-CE2 3.46Å; F316-F366 HydrophobicContact CZ-CE2 3.46Å; F316-F366 VanDerWaalsContact CZ-CE2 3.46Å; F316-F366 AromaticContact CZ-CG 3.81Å; F316-F366 HydrophobicContact CZ-CG 3.81Å; F316-F366 AromaticContact CZ-CZ 3.89Å; F316-F366 HydrophobicContact CZ-CZ 3.89Å; T364-F366 HydrophobicContact CG2-CD2 4.48Å; T364-F366 HydrophobicContact CG2-CE2 3.94Å; T364-F366 HydrophobicContact CG2-CZ 4.46Å; F366-G368 PolarHBondContact O-N 3.41Å; F366-G368 VanDerWaalsContact O-N 3.14Å
367	T	92.3	Very high	95.8	Very high	107 Å²	107	56.4 Å²	56.4	66%	0.656	32%	0.316	S	S	*	.			trans	-69.2	-11.7	-168.7	53.8	0	0	0	0	114.9	N179 V365	N179-T367 PolarHBondContact ND2-O 2.98Å; V365-T367 HydrophobicContact CG1-CG2 4.27Å
368	G	92.3	Very high	95.6	Very high	17 Å²	17	61.1 Å²	61.1	18%	0.175	34%	0.342	C	S	.	.			trans	63.7	-154.6	-178.1	0	0	0	0	0	113.6	N179 F366	N179-G368 CarbonylContact O-C 3.58Å; N179-G368 WeakPolarHBondContact O-CA 3.38Å; F366-G368 PolarHBondContact O-N 3.41Å; F366-G368 VanDerWaalsContact O-N 3.14Å
369	K	87.3	Confident	95.5	Very high	137 Å²	137	63.2 Å²	63.2	60%	0.596	35%	0.345	S	S	*	.			trans	-115.5	0	-177.4	-74.1	-176.8	177	179.5	0	113.8	N179 G182 T183 D321 S322	N179-K369 VanDerWaalsContact CA-O 3.24Å; N179-K369 WeakPolarHBondContact CA-O 3.5Å; N179-K369 WeakPolarHBondContact CB-O 3.43Å; N179-K369 PolarHBondContact O-N 3.49Å; G182-K369 VanDerWaalsContact O-CE 3.23Å; G182-K369 WeakPolarHBondContact O-CE 3.47Å; G182-K369 PolarHBondContact O-NZ 3.13Å; T183-K369 HydrophobicContact CG2-CG 4.21Å; D321-K369 WeakPolarHBondContact CA-O 3.38Å; D321-K369 WeakPolarHBondContact CB-O 3.44Å; S322-K369 WeakPolarHBondContact CB-OXT 3.31Å; S322-K369 PolarHBondContact N-O 3.42Å; S322-K369 PolarHBondContact N-OXT 3.13Å; S322-K369 VanDerWaalsContact N-OXT 3.13Å; S322-K369 PolarHBondContact OG-OXT 3.3Å

Retrieved 369 of 369 residues in 138.4 ms (Link to these results)

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