A0A087Y0F3_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087Y0F3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.9	Very low	61.2	Low	242 Å²	242	145.9 Å²	145.9	100%	1.192	71%	0.707	S	S	*	*				0	38.5	0	-120.9	168.1	94.3	0	0	113.8
2	R	52.6	Low	62.2	Low	239 Å²	239	143.7 Å²	143.7	90%	0.902	70%	0.7	S	S	*	*			trans	-127	-1.2	178.2	-83.3	-173.9	176.4	178.6	-0.8	115.5
3	L	48.7	Very low	63.4	Low	167 Å²	167	142.2 Å²	142.2	87%	0.874	70%	0.697	S	S	*	*	S	Bend	trans	-93.6	-10.2	178.9	-99.8	106.4	0	0	0	115.5
4	K	54.4	Low	64.2	Low	182 Å²	182	138.9 Å²	138.9	79%	0.791	69%	0.688	S	S	*	*	S	Bend	trans	-88.5	-15.6	-177	-72.6	-170	175.2	-175.4	0	114.9
5	V	61.6	Low	65.3	Low	94 Å²	94	136.1 Å²	136.1	57%	0.57	68%	0.675	S	S	*	*	H	α-helix	trans	-80.2	-36.6	-176.3	179.4	0	0	0	0	111.8	F7 L8 L9	V5-F7 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 3.1Å; V5-L9 HydrophobicContact CG1-CD1 3.73Å; V5-L9 PolarHBondContact O-N 3.05Å; V5-L9 VanDerWaalsContact O-N 3.11Å
6	G	62.8	Low	66.2	Low	44 Å²	44	130.3 Å²	130.3	45%	0.454	66%	0.661	S	S	.	*	H	α-helix	trans	-67.3	-31.9	179.8	0	0	0	0	0	114.3	R10	G6-R10 WeakPolarHBondContact O-CG 3.46Å; G6-R10 PolarHBondContact O-N 3.13Å; G6-R10 VanDerWaalsContact O-N 3.13Å
7	F	69.2	Low	66.7	Low	161 Å²	161	127.4 Å²	127.4	71%	0.706	65%	0.651	S	S	*	*	H	α-helix	trans	-75	-36.8	179.3	-143.9	-88.4	0	0	0	112.1	V5 S11	V5-F7 PolarHBondContact O-N 3.23Å; F7-S11 WeakPolarHBondContact O-CB 3.37Å; F7-S11 PolarHBondContact O-N 3.45Å; F7-S11 PolarHBondContact O-OG 3.42Å
8	L	67.4	Low	67.2	Low	115 Å²	115	128.2 Å²	128.2	60%	0.602	65%	0.65	S	S	*	*	H	α-helix	trans	-66.7	-42.7	174.1	-82.4	160.5	0	0	0	111.6	V5 S11 L12	V5-L8 PolarHBondContact O-N 3.1Å; L8-S11 PolarHBondContact O-N 3.03Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.16Å
9	L	66.5	Low	67.6	Low	110 Å²	110	127 Å²	127	58%	0.576	65%	0.645	S	S	*	*	H	α-helix	trans	-64.4	-40.1	176.6	-98.6	132.7	0	0	0	112.6	V5 L13	V5-L9 HydrophobicContact CG1-CD1 3.73Å; V5-L9 PolarHBondContact O-N 3.05Å; V5-L9 VanDerWaalsContact O-N 3.11Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.07Å
10	R	68.9	Low	68.1	Low	200 Å²	200	122.4 Å²	122.4	76%	0.755	63%	0.63	S	S	*	*	H	α-helix	trans	-67.7	-38.7	175.2	-74.7	-177.4	179.6	-162.9	-0.3	112.5	G6 L13 V14	G6-R10 WeakPolarHBondContact O-CG 3.46Å; G6-R10 PolarHBondContact O-N 3.13Å; G6-R10 VanDerWaalsContact O-N 3.13Å; R10-L13 PolarHBondContact O-N 2.84Å; R10-V14 WeakPolarHBondContact O-CG2 3.47Å; R10-V14 PolarHBondContact O-N 3.48Å
11	S	71.2	Confident	68.1	Low	51 Å²	51	122.1 Å²	122.1	36%	0.357	63%	0.629	S	S	.	*	H	α-helix	trans	-66.4	-41.4	177.3	-59.3	0	0	0	0	111.8	F7 L8 L13 V14 I15	F7-S11 WeakPolarHBondContact O-CB 3.37Å; F7-S11 PolarHBondContact O-N 3.45Å; F7-S11 PolarHBondContact O-OG 3.42Å; L8-S11 PolarHBondContact O-N 3.03Å; S11-L13 VanDerWaalsContact C-N 3.32Å; S11-L13 PolarHBondContact O-N 3.01Å; S11-V14 PolarHBondContact O-N 2.87Å; S11-I15 WeakPolarHBondContact O-CD1 3.46Å; S11-I15 VanDerWaalsContact O-CG1 3.25Å; S11-I15 WeakPolarHBondContact O-CG1 3.49Å; S11-I15 PolarHBondContact O-N 3.32Å
12	L	73.9	Confident	69.1	Low	119 Å²	119	114.2 Å²	114.2	62%	0.623	59%	0.594	S	S	*	*	H	α-helix	trans	-64.2	-36.4	174.9	-80	163.1	0	0	0	112.3	L8 G16	L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.16Å; L12-G16 PolarHBondContact O-N 3.47Å
13	L	77.1	Confident	69.9	Low	125 Å²	125	107.4 Å²	107.4	65%	0.654	58%	0.579	S	S	*	*	H	α-helix	trans	-67.2	-42.4	177.6	-145.6	119.2	0	0	0	111.6	L9 R10 S11 G16 T17	L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.07Å; R10-L13 PolarHBondContact O-N 2.84Å; S11-L13 VanDerWaalsContact C-N 3.32Å; S11-L13 PolarHBondContact O-N 3.01Å; L13-G16 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-OG1 3.2Å
14	V	75.2	Confident	70.5	Confident	95 Å²	95	104.5 Å²	104.5	58%	0.576	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-43.9	177.1	173.4	0	0	0	0	111.3	R10 S11 G16 T17 F18	R10-V14 WeakPolarHBondContact O-CG2 3.47Å; R10-V14 PolarHBondContact O-N 3.48Å; S11-V14 PolarHBondContact O-N 2.87Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.45Å; V14-T17 WeakPolarHBondContact CA-OG1 3.4Å; V14-T17 PolarHBondContact O-N 2.99Å; V14-T17 PolarHBondContact O-OG1 3.05Å; V14-F18 WeakPolarHBondContact O-CB 3.39Å; V14-F18 PolarHBondContact O-N 2.88Å
15	I	79.7	Confident	70.3	Confident	97 Å²	97	105.8 Å²	105.8	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-41.5	176.6	-66.8	165.8	0	0	0	110.6	S11 F18 L19	S11-I15 WeakPolarHBondContact O-CD1 3.46Å; S11-I15 VanDerWaalsContact O-CG1 3.25Å; S11-I15 WeakPolarHBondContact O-CG1 3.49Å; S11-I15 PolarHBondContact O-N 3.32Å; I15-F18 PolarHBondContact O-N 3.29Å; I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 WeakPolarHBondContact O-CB 3.36Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3Å
16	G	79.9	Confident	70	Confident	44 Å²	44	105.1 Å²	105.1	45%	0.454	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-43.8	175.7	0	0	0	0	0	112.9	L12 L13 V14 G20	L12-G16 PolarHBondContact O-N 3.47Å; L13-G16 PolarHBondContact O-N 3.43Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.45Å; G16-G20 PolarHBondContact O-N 3.03Å
17	T	75.6	Confident	69.6	Low	80 Å²	80	107.3 Å²	107.3	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-66.9	-36.5	175.7	44.1	0	0	0	0	112.8	L13 V14 G20 L21	L13-T17 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-OG1 3.2Å; V14-T17 WeakPolarHBondContact CA-OG1 3.4Å; V14-T17 PolarHBondContact O-N 2.99Å; V14-T17 PolarHBondContact O-OG1 3.05Å; T17-G20 PolarHBondContact O-N 3.47Å; T17-L21 WeakPolarHBondContact O-CG 3.25Å; T17-L21 PolarHBondContact O-N 2.98Å
18	F	74.8	Confident	68.4	Low	143 Å²	143	105.8 Å²	105.8	63%	0.627	57%	0.57	S	S	*	*	H	α-helix	trans	-68.1	-44.1	177.9	-169.4	-97.8	0	0	0	111.6	V14 I15 L21 V22	V14-F18 WeakPolarHBondContact O-CB 3.39Å; V14-F18 PolarHBondContact O-N 2.88Å; I15-F18 PolarHBondContact O-N 3.29Å; F18-L21 PolarHBondContact O-N 2.95Å; F18-V22 HydrophobicContact CD1-CG2 4.3Å; F18-V22 HydrophobicContact CE1-CG2 4.07Å; F18-V22 WeakPolarHBondContact O-CG2 3.48Å; F18-V22 PolarHBondContact O-N 3.33Å
19	L	74.7	Confident	67.3	Low	105 Å²	105	103.9 Å²	103.9	55%	0.55	57%	0.567	S	S	.	*	H	α-helix	trans	-64.7	-39.3	175.1	-76.4	164.9	0	0	0	112.1	I15 L21 V22 V23	I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 WeakPolarHBondContact O-CB 3.36Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.04Å; L19-V22 PolarHBondContact O-N 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.94Å
20	G	77.5	Confident	65.9	Low	34 Å²	34	104.6 Å²	104.6	35%	0.351	58%	0.578	S	S	.	*	H	α-helix	trans	-60.8	-41	174.4	0	0	0	0	0	112.9	G16 T17 V23 L24	G16-G20 PolarHBondContact O-N 3.03Å; T17-G20 PolarHBondContact O-N 3.47Å; G20-V23 PolarHBondContact O-N 3.36Å; G20-L24 PolarHBondContact O-N 3.5Å
21	L	69.3	Low	64.5	Low	117 Å²	117	104.4 Å²	104.4	61%	0.613	58%	0.583	S	S	*	*	H	α-helix	trans	-67.2	-39.9	176	-80.1	162.8	0	0	0	112.4	T17 F18 L19 V23 L24 W25	T17-L21 WeakPolarHBondContact O-CG 3.25Å; T17-L21 PolarHBondContact O-N 2.98Å; F18-L21 PolarHBondContact O-N 2.95Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.04Å; L21-V23 VanDerWaalsContact C-N 3.34Å; L21-V23 PolarHBondContact O-N 3.01Å; L21-L24 PolarHBondContact O-N 2.82Å; L21-W25 WeakPolarHBondContact O-CB 3.46Å; L21-W25 PolarHBondContact O-N 3.36Å
22	V	70.2	Confident	62.9	Low	76 Å²	76	108.1 Å²	108.1	46%	0.461	61%	0.606	S	S	.	*	H	α-helix	trans	-64.9	-37.2	176.3	172.9	0	0	0	0	111.8	F18 L19 W25 S26	F18-V22 HydrophobicContact CD1-CG2 4.3Å; F18-V22 HydrophobicContact CE1-CG2 4.07Å; F18-V22 WeakPolarHBondContact O-CG2 3.48Å; F18-V22 PolarHBondContact O-N 3.33Å; L19-V22 PolarHBondContact O-N 3.3Å; V22-W25 PolarHBondContact O-N 2.94Å; V22-S26 WeakPolarHBondContact O-CB 3.48Å; V22-S26 PolarHBondContact O-N 2.92Å; V22-S26 PolarHBondContact O-OG 3.46Å
23	V	70.2	Confident	61.1	Low	96 Å²	96	107.7 Å²	107.7	58%	0.582	61%	0.613	S	S	*	*	H	α-helix	trans	-70.5	-37.7	175	176	0	0	0	0	111.5	L19 G20 L21 W25 S26 S27	L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.94Å; G20-V23 PolarHBondContact O-N 3.36Å; L21-V23 VanDerWaalsContact C-N 3.34Å; L21-V23 PolarHBondContact O-N 3.01Å; V23-W25 VanDerWaalsContact C-N 3.35Å; V23-S26 WeakPolarHBondContact CA-OG 3.34Å; V23-S26 PolarHBondContact O-OG 3.33Å; V23-S26 VanDerWaalsContact O-OG 3.07Å; V23-S27 PolarHBondContact O-N 3.06Å; V23-S27 VanDerWaalsContact O-N 3.16Å; V23-S27 PolarHBondContact O-OG 3.38Å
24	L	60.7	Low	59.2	Low	107 Å²	107	109.4 Å²	109.4	56%	0.56	62%	0.623	S	S	*	*	H	α-helix	trans	-65.6	-38.3	173	-113.9	97.5	0	0	0	112	G20 L21 S27 L28	G20-L24 PolarHBondContact O-N 3.5Å; L21-L24 PolarHBondContact O-N 2.82Å; L24-S27 WeakPolarHBondContact CA-OG 3.35Å; L24-S27 PolarHBondContact O-N 2.95Å; L24-S27 PolarHBondContact O-OG 2.87Å; L24-L28 HydrophobicContact CD2-CD1 4.49Å; L24-L28 WeakPolarHBondContact O-CD1 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.11Å
25	W	50	Low	57.4	Low	209 Å²	209	112.6 Å²	112.6	79%	0.792	64%	0.636	S	S	*	*	H	α-helix	trans	-73.4	-33.9	-178.4	-138.3	43.2	0	0	0	112.8	L21 V22 V23 S29	L21-W25 WeakPolarHBondContact O-CB 3.46Å; L21-W25 PolarHBondContact O-N 3.36Å; V22-W25 PolarHBondContact O-N 2.94Å; V23-W25 VanDerWaalsContact C-N 3.35Å; W25-S29 PolarHBondContact O-N 3.45Å; W25-S29 PolarHBondContact O-OG 3.43Å
26	S	56.2	Low	55.4	Low	80 Å²	80	114 Å²	114	56%	0.559	65%	0.645	S	S	*	*	H	α-helix	trans	-73.9	-23.9	173.8	51.2	0	0	0	0	113.8	V22 V23	V22-S26 WeakPolarHBondContact O-CB 3.48Å; V22-S26 PolarHBondContact O-N 2.92Å; V22-S26 PolarHBondContact O-OG 3.46Å; V23-S26 WeakPolarHBondContact CA-OG 3.34Å; V23-S26 PolarHBondContact O-OG 3.33Å; V23-S26 VanDerWaalsContact O-OG 3.07Å
27	S	52.8	Low	53.3	Low	89 Å²	89	117.2 Å²	117.2	62%	0.622	66%	0.658	S	S	*	*	H	α-helix	trans	-87.4	-14.7	175	52.4	0	0	0	0	114.4	V23 L24	V23-S27 PolarHBondContact O-N 3.06Å; V23-S27 VanDerWaalsContact O-N 3.16Å; V23-S27 PolarHBondContact O-OG 3.38Å; L24-S27 WeakPolarHBondContact CA-OG 3.35Å; L24-S27 PolarHBondContact O-N 2.95Å; L24-S27 PolarHBondContact O-OG 2.87Å
28	L	45.4	Very low	51.4	Low	129 Å²	129	121.6 Å²	121.6	68%	0.675	67%	0.67	S	S	*	*	S	Bend	trans	-101.1	0.8	176.8	-71.4	166.8	0	0	0	114	L24	L24-L28 HydrophobicContact CD2-CD1 4.49Å; L24-L28 WeakPolarHBondContact O-CD1 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.11Å
29	S	42.7	Very low	49.4	Very low	76 Å²	76	118.2 Å²	118.2	53%	0.531	68%	0.676	S	S	.	*	S	Bend	trans	-81.2	127	175.8	-67.4	0	0	0	0	110.8	W25 K31	W25-S29 PolarHBondContact O-N 3.45Å; W25-S29 PolarHBondContact O-OG 3.43Å; S29-K31 PolarHBondContact O-N 3.49Å
30	P	38.1	Very low	47.4	Very low	125 Å²	125	123.4 Å²	123.4	81%	0.812	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-64.3	133.2	178.5	-14.5	27.3	0	0	0	110.9
31	K	40.1	Very low	45.2	Very low	195 Å²	195	133.6 Å²	133.6	85%	0.848	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-66.9	136.9	168.5	-74.2	-179.5	177.6	177	0	109.3	S29 S33	S29-K31 PolarHBondContact O-N 3.49Å; K31-S33 PolarHBondContact O-N 3.29Å; K31-S33 VanDerWaalsContact O-N 3.13Å
32	P	36.9	Very low	43.4	Very low	130 Å²	130	135.3 Å²	135.3	84%	0.844	73%	0.731	S	S	*	*			trans	-68.5	112.6	173.2	27.7	-29.5	0	0	0	108.3
33	S	35.9	Very low	42	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	75%	0.752	S	S	*	*			trans	-76.2	132.7	165.2	50.2	0	0	0	0	109.1	K31 D35	K31-S33 PolarHBondContact O-N 3.29Å; K31-S33 VanDerWaalsContact O-N 3.13Å; S33-D35 PolarHBondContact O-N 3.01Å
34	D	38.1	Very low	40.2	Very low	161 Å²	161	139.6 Å²	139.6	86%	0.861	76%	0.756	S	S	*	*	S	Bend	trans	-58.4	101.7	166.7	-76.6	-43.8	0	0	0	109.7
35	D	37.3	Very low	39.1	Very low	161 Å²	161	142.6 Å²	142.6	86%	0.861	77%	0.772	S	S	*	*			trans	-174.6	81.6	149.1	-93.1	-25.9	0	0	0	108.4	S33	S33-D35 PolarHBondContact O-N 3.01Å
36	N	36.2	Very low	38.3	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	78%	0.775	S	S	*	*			trans	-106.1	115.6	168.4	-169.2	6.8	0	0	0	108.5	F38	N36-F38 PolarHBondContact O-N 3.07Å; N36-F38 VanDerWaalsContact O-N 3.1Å
37	P	36.8	Very low	37.4	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	79%	0.787	S	S	*	*	S	Bend	trans	-76.7	10.6	-176.7	29.6	-32.9	0	0	0	114.2
38	F	35.9	Very low	36.7	Very low	171 Å²	171	148.8 Å²	148.8	75%	0.75	80%	0.803	S	S	*	*			trans	-123.1	84.4	177	-63.5	-76.1	0	0	0	110.7	N36	N36-F38 PolarHBondContact O-N 3.07Å; N36-F38 VanDerWaalsContact O-N 3.1Å
39	G	33.4	Very low	36.3	Very low	72 Å²	72	145.9 Å²	145.9	74%	0.742	80%	0.804	S	S	*	*			trans	-65.8	148.3	171.3	0	0	0	0	0	112.9
40	K	32.2	Very low	36	Very low	215 Å²	215	150 Å²	150	94%	0.935	82%	0.82	S	S	*	*			trans	-47.2	137.4	173	-72.6	174.6	172.1	177.9	0	112.4
41	R	31.3	Very low	36	Very low	247 Å²	247	152.4 Å²	152.4	93%	0.932	83%	0.825	S	S	*	*			trans	-122.1	140.1	158.2	-99.5	-177	173.8	173.2	-1.2	109.8
42	D	32	Very low	35.8	Very low	153 Å²	153	147 Å²	147	82%	0.818	82%	0.817	S	S	*	*			trans	-52.7	136.4	-169.7	-82.2	-51	0	0	0	116.2	S44	D42-S44 PolarHBondContact O-N 3.02Å
43	D	40.1	Very low	35.8	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	82%	0.818	S	S	*	*			trans	-73.3	92.2	157.4	-86.2	-38.3	0	0	0	109.7
44	S	32.8	Very low	35.8	Very low	94 Å²	94	151.7 Å²	151.7	66%	0.657	82%	0.82	S	S	*	*			trans	-156	134.2	152.6	55.3	0	0	0	0	110	D42	D42-S44 PolarHBondContact O-N 3.02Å
45	L	35.9	Very low	35.5	Very low	170 Å²	170	153.9 Å²	153.9	89%	0.89	82%	0.823	S	S	*	*			trans	99.8	60.2	-180	-54.1	162.6	0	0	0	116
46	L	34.8	Very low	35.2	Very low	165 Å²	165	155.5 Å²	155.5	86%	0.864	82%	0.822	S	S	*	*			trans	-110.9	125	146.1	-74.4	170.5	0	0	0	108.7
47	P	36.2	Very low	35	Very low	125 Å²	125	155.6 Å²	155.6	81%	0.812	83%	0.83	S	S	*	*			trans	-78.5	131.7	169.2	25.5	-21	0	0	0	110.4
48	K	39.3	Very low	34.8	Very low	219 Å²	219	156.6 Å²	156.6	95%	0.952	83%	0.834	S	S	*	*			trans	-68.3	129.9	171.1	-68.2	176.6	175	179	0	110
49	G	36.8	Very low	34.6	Very low	68 Å²	68	154.6 Å²	154.6	70%	0.701	84%	0.835	S	S	*	*			trans	-173.7	131.3	169.8	0	0	0	0	0	112.1
50	D	36.7	Very low	34.6	Very low	162 Å²	162	156.4 Å²	156.4	87%	0.866	83%	0.834	S	S	*	*			trans	-74.8	132.7	-170.9	-146.8	-16.6	0	0	0	112.1
51	L	36.6	Very low	34.5	Very low	175 Å²	175	158.3 Å²	158.3	92%	0.916	84%	0.835	S	S	*	*	S	Bend	trans	-99.9	13.9	-164.7	-110.7	153.5	0	0	0	114.2
52	A	36.4	Very low	34.3	Very low	83 Å²	83	151.9 Å²	151.9	69%	0.686	83%	0.826	S	S	*	*	S	Bend	trans	-106	-2.2	-168.1	0	0	0	0	0	116.4
53	D	38	Very low	34.3	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	83%	0.83	S	S	*	*	S	Bend	trans	-126.2	35.5	-162.6	-102	-15.1	0	0	0	117.4
54	Q	35.9	Very low	33.7	Very low	177 Å²	177	154 Å²	154	83%	0.827	82%	0.823	S	S	*	*	S	Bend	trans	-137.5	25	175.2	-85.5	-164.2	-0.7	0	0	118.4
55	F	30.3	Very low	33.6	Very low	208 Å²	208	158.5 Å²	158.5	91%	0.912	83%	0.834	S	S	*	*			trans	-138.8	97.9	166.9	-80	-82	0	0	0	113.3
56	K	31.9	Very low	33.1	Very low	195 Å²	195	154 Å²	154	85%	0.848	83%	0.829	S	S	*	*			trans	-113.5	126.1	155.5	-83.9	-174.5	177.5	176.7	0	109
57	P	32.2	Very low	33.4	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	83%	0.828	S	S	*	*			trans	-80.2	129.7	178.3	30.5	-30.2	0	0	0	110.5
58	V	31.7	Very low	33.2	Very low	133 Å²	133	155.4 Å²	155.4	81%	0.806	83%	0.829	S	S	*	*			trans	-110.9	83.7	176.9	-174	0	0	0	0	109.1
59	V	31.1	Very low	33.1	Very low	128 Å²	128	149.6 Å²	149.6	78%	0.776	81%	0.811	S	S	*	*	S	Bend	trans	51.1	164.5	151.4	-128.6	0	0	0	0	120.6
60	P	34.9	Very low	33.3	Very low	111 Å²	111	151.1 Å²	151.1	72%	0.721	80%	0.803	S	S	*	*	P	Polyproline II helix		-99.3	158.7	-86	34.8	-19.7	0	0	0	114.2
61	W	29.7	Very low	33.4	Very low	254 Å²	254	149.8 Å²	149.8	96%	0.962	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.7	130.2	176.9	-72	92.6	0	0	0	114.4
62	P	27.3	Very low	33.6	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-93.6	132.2	155.2	27.4	-15	0	0	0	110.5
63	R	32	Very low	33.8	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72	139.7	159.4	-80	-174.1	-102.1	-150.6	-5.4	108.7
64	V	26.8	Very low	34	Very low	122 Å²	122	143.7 Å²	143.7	74%	0.739	76%	0.757	S	S	*	*				170.7	124	121	165.7	0	0	0	0	109.5
65	E	31.2	Very low	34.1	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	76%	0.757	S	S	*	*			trans	27.6	123.8	145.8	-56.3	173.9	177.7	0	0	120.6
66	G	26.4	Very low	34.6	Very low	76 Å²	76	143.5 Å²	143.5	78%	0.784	75%	0.754	S	S	*	*			trans	155.8	117.6	160.1	0	0	0	0	0	112.6	E68	G66-E68 PolarHBondContact O-N 3.35Å
67	V	39.6	Very low	35.1	Very low	139 Å²	139	142.7 Å²	142.7	84%	0.842	75%	0.751	S	S	*	*			trans	-42.5	120.3	169.4	175.9	0	0	0	0	111.6
68	E	32.5	Very low	35.8	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	75%	0.751	S	S	*	*			trans	-153.6	114.4	150	-77.1	-154	148.3	0	0	110.9	G66	G66-E68 PolarHBondContact O-N 3.35Å
69	V	36.4	Very low	35.9	Very low	97 Å²	97	142.4 Å²	142.4	59%	0.588	75%	0.749	S	S	*	*				86.7	113.6	80.1	-179.9	0	0	0	0	111.4	L71	V69-L71 PolarHBondContact O-N 3.08Å
70	D	41.3	Very low	36.3	Very low	100 Å²	100	140.2 Å²	140.2	54%	0.535	75%	0.753	S	S	.	*			trans	-68.7	107.1	178.3	177	15.4	0	0	0	111.9	N72 S73	D70-N72 PolarHBondContact O-N 3.13Å; D70-N72 VanDerWaalsContact OD1-CB 3.27Å; D70-N72 WeakPolarHBondContact OD1-CB 3.27Å; D70-N72 PolarHBondContact OD1-N 3.24Å; D70-N72 PolarHBondContact OD1-ND2 2.96Å; D70-S73 PolarHBondContact O-N 3.46Å; D70-S73 PolarHBondContact O-OG 2.9Å
71	L	38.7	Very low	36.2	Very low	135 Å²	135	140 Å²	140	71%	0.707	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-68.8	-8.4	179.2	-68.8	166.3	0	0	0	113.9	V69 S73	V69-L71 PolarHBondContact O-N 3.08Å; L71-S73 VanDerWaalsContact C-N 3.31Å
72	N	40.3	Very low	36.4	Very low	111 Å²	111	135.6 Å²	135.6	59%	0.594	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-75.1	-22	176	-68.2	-45.5	0	0	0	112.9	D70 I74	D70-N72 PolarHBondContact O-N 3.13Å; D70-N72 VanDerWaalsContact OD1-CB 3.27Å; D70-N72 WeakPolarHBondContact OD1-CB 3.27Å; D70-N72 PolarHBondContact OD1-N 3.24Å; D70-N72 PolarHBondContact OD1-ND2 2.96Å; N72-I74 VanDerWaalsContact C-N 3.34Å; N72-I74 PolarHBondContact O-N 2.87Å
73	S	41.8	Very low	36.9	Very low	75 Å²	75	135.6 Å²	135.6	52%	0.524	76%	0.756	S	S	.	*	G	3₁₀ helix	trans	-76.1	-17	-179.3	66	0	0	0	0	114.5	D70 L71	D70-S73 PolarHBondContact O-N 3.46Å; D70-S73 PolarHBondContact O-OG 2.9Å; L71-S73 VanDerWaalsContact C-N 3.31Å
74	I	41.3	Very low	37.1	Very low	104 Å²	104	133.1 Å²	133.1	53%	0.533	75%	0.754	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	-24.8	-178.2	-63.3	174.3	0	0	0	111.9	N72 L76 K77	N72-I74 VanDerWaalsContact C-N 3.34Å; N72-I74 PolarHBondContact O-N 2.87Å; I74-L76 VanDerWaalsContact C-N 3.27Å; I74-L76 PolarHBondContact O-N 3.41Å; I74-K77 PolarHBondContact O-N 3.25Å
75	R	39.4	Very low	37.4	Very low	218 Å²	218	135.4 Å²	135.4	82%	0.823	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-12.6	-179.1	-90	-179.2	173.5	160.2	-1	115.2
76	L	40.7	Very low	37.7	Very low	162 Å²	162	131.3 Å²	131.3	85%	0.848	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	3	179.5	-84.2	159	0	0	0	114.7	I74	I74-L76 VanDerWaalsContact C-N 3.27Å; I74-L76 PolarHBondContact O-N 3.41Å
77	K	42.2	Very low	38.3	Very low	178 Å²	178	131 Å²	131	77%	0.774	76%	0.757	S	S	*	*	S	Bend	trans	-103.6	3.3	-178.6	-93.2	-173.7	177.3	179.9	0	116.5	I74	I74-K77 PolarHBondContact O-N 3.25Å
78	H	47.3	Very low	38	Very low	182 Å²	182	133.6 Å²	133.6	84%	0.843	76%	0.76	S	S	*	*			trans	-127.4	80.2	174.5	-70.7	-63.9	0	0	0	111.4
79	G	34	Very low	38	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	76%	0.762	S	S	*	*	S	Bend	trans	-153.2	78.9	174	0	0	0	0	0	111.7
80	G	38.5	Very low	37.9	Very low	82 Å²	82	135.5 Å²	135.5	85%	0.845	77%	0.774	S	S	*	*			trans	68.6	103	152.7	0	0	0	0	0	119.7
81	A	33.5	Very low	37.5	Very low	106 Å²	106	138 Å²	138	88%	0.876	79%	0.788	S	S	*	*			trans	-159	134.8	144.5	0	0	0	0	0	111.4
82	N	32.4	Very low	37.5	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	80%	0.795	S	S	*	*			trans	-69.1	160	178	-100.5	-21.5	0	0	0	113
83	P	38.7	Very low	37.5	Very low	113 Å²	113	144.5 Å²	144.5	73%	0.734	81%	0.808	S	S	*	*			trans	-94.7	118.4	-166.9	34	-27.9	0	0	0	112.5
84	Q	36.1	Very low	37.3	Very low	190 Å²	190	149.8 Å²	149.8	89%	0.888	82%	0.824	S	S	*	*			trans	-170.3	83.6	157.3	-106.4	169.7	26.6	0	0	108.5
85	D	32.2	Very low	37.1	Very low	170 Å²	170	151.2 Å²	151.2	91%	0.909	84%	0.837	S	S	*	*				-177.1	125.3	123.5	-116.8	-24.6	0	0	0	109.3
86	A	38.1	Very low	37.2	Very low	103 Å²	103	147.9 Å²	147.9	85%	0.851	83%	0.834	S	S	*	*			trans	-91.8	128.3	178.2	0	0	0	0	0	108.9
87	G	38.8	Very low	37.3	Very low	69 Å²	69	148.5 Å²	148.5	71%	0.711	83%	0.833	S	S	*	*			trans	132.3	81.4	158.3	0	0	0	0	0	114.9
88	Q	33	Very low	37.7	Very low	194 Å²	194	146.5 Å²	146.5	91%	0.907	83%	0.826	S	S	*	*			trans	-170.8	130.7	138.7	-104.7	161.9	20.5	0	0	109.7
89	Q	32.9	Very low	38.2	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	83%	0.828	S	S	*	*			trans	-54.1	137.5	176.4	-69.7	175.3	-22.4	0	0	110.9	N91	Q89-N91 PolarHBondContact O-N 3.22Å; Q89-N91 VanDerWaalsContact O-N 3.08Å
90	P	34	Very low	39.9	Very low	130 Å²	130	148.1 Å²	148.1	84%	0.844	81%	0.811	S	S	*	*			trans	-74.2	108.2	173.2	21.9	-17.1	0	0	0	109.1	Q92	P90-Q92 PolarHBondContact O-N 3.27Å
91	N	34.3	Very low	42.1	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	79%	0.79	S	S	*	*			trans	-56.5	115.8	173.3	-143.4	-2.7	0	0	0	109.5	Q89 K93	Q89-N91 PolarHBondContact O-N 3.22Å; Q89-N91 VanDerWaalsContact O-N 3.08Å; N91-K93 VanDerWaalsContact C-N 3.31Å; N91-K93 PolarHBondContact O-N 3.46Å
92	Q	39	Very low	44.8	Very low	186 Å²	186	148 Å²	148	87%	0.869	78%	0.782	S	S	*	*	S	Bend	trans	-61.5	92.5	163.8	-86.8	179	-23.5	0	0	108.5	P90	P90-Q92 PolarHBondContact O-N 3.27Å
93	K	38.6	Very low	47.8	Very low	195 Å²	195	142 Å²	142	85%	0.848	75%	0.748	S	S	*	*			trans	175.8	82.8	158.6	-100.5	160.5	-173.4	-173.9	0	110.1	N91	N91-K93 VanDerWaalsContact C-N 3.31Å; N91-K93 PolarHBondContact O-N 3.46Å
94	Q	37.3	Very low	50.4	Low	187 Å²	187	141.9 Å²	141.9	87%	0.874	74%	0.736	S	S	*	*			trans	-156.2	58.8	153	-112	174.6	8	0	0	108.5	I96	Q94-I96 PolarHBondContact O-N 2.79Å
95	V	37.8	Very low	53.1	Low	133 Å²	133	137.7 Å²	137.7	81%	0.806	73%	0.726	S	S	*	*			trans	-70.2	107.3	151.9	178.6	0	0	0	0	104.1	Q97	V95-Q97 PolarHBondContact O-N 3.44Å
96	I	42.1	Very low	55.9	Low	148 Å²	148	132.8 Å²	132.8	76%	0.759	70%	0.7	S	S	*	*			trans	-63.8	94.9	167.7	-61.3	172.6	0	0	0	105	Q94 Q98	Q94-I96 PolarHBondContact O-N 2.79Å; I96-Q98 VanDerWaalsContact C-N 3.31Å; I96-Q98 PolarHBondContact O-N 3.06Å
97	Q	43.4	Very low	58.5	Low	176 Å²	176	134.2 Å²	134.2	82%	0.822	70%	0.698	S	S	*	*			trans	-59.7	103.4	159.4	-100.6	176.8	-24.8	0	0	105	V95 Q99	V95-Q97 PolarHBondContact O-N 3.44Å; Q97-Q99 VanDerWaalsContact C-N 3.28Å; Q97-Q99 PolarHBondContact O-N 3.23Å
98	Q	50.3	Low	61.1	Low	136 Å²	136	133.8 Å²	133.8	64%	0.636	68%	0.677	S	S	*	*			trans	-55.8	104.8	156.8	-90.5	175.9	-26.2	0	0	105.7	I96 Y100	I96-Q98 VanDerWaalsContact C-N 3.31Å; I96-Q98 PolarHBondContact O-N 3.06Å; Q98-Y100 HydrophobicContact CB-CE1 4.05Å; Q98-Y100 VanDerWaalsContact O-CD2 3.29Å; Q98-Y100 WeakPolarHBondContact O-CD2 3.39Å; Q98-Y100 VanDerWaalsContact O-CE2 3.23Å; Q98-Y100 WeakPolarHBondContact O-CE2 3.23Å; Q98-Y100 PolarHBondContact O-N 3.04Å
99	Q	57	Low	64.1	Low	188 Å²	188	127.9 Å²	127.9	88%	0.879	66%	0.661	S	S	*	*			trans	-71.3	101	175.6	-170.7	173.1	-8.4	0	0	106.3	Q97	Q97-Q99 VanDerWaalsContact C-N 3.28Å; Q97-Q99 PolarHBondContact O-N 3.23Å
100	Y	69.6	Low	67.1	Low	103 Å²	103	119.9 Å²	119.9	40%	0.404	62%	0.624	S	S	.	*			trans	-64.3	144.3	178.9	-59.2	-70.1	0	0	0	110.2	Q98 T102 R494	Q98-Y100 HydrophobicContact CB-CE1 4.05Å; Q98-Y100 VanDerWaalsContact O-CD2 3.29Å; Q98-Y100 WeakPolarHBondContact O-CD2 3.39Å; Q98-Y100 VanDerWaalsContact O-CE2 3.23Å; Q98-Y100 WeakPolarHBondContact O-CE2 3.23Å; Q98-Y100 PolarHBondContact O-N 3.04Å; Y100-T102 PolarHBondContact O-N 3.17Å; Y100-R494 HydrophobicContact CD1-CG 4.33Å; Y100-R494 VanDerWaalsContact CE1-CZ 3.41Å; Y100-R494 VanDerWaalsContact CE1-NE 3.28Å; Y100-R494 PolarHBondContact OH-NH2 2.82Å
101	V	86	Confident	70.1	Confident	67 Å²	67	118.5 Å²	118.5	41%	0.406	61%	0.609	S	S	.	*			trans	-73.2	125.7	178.3	-172.4	0	0	0	0	108.1	E492 H493	V101-E492 HydrophobicContact CG2-CB 4.2Å; V101-E492 PolarHBondContact N-O 2.75Å; V101-H493 VanDerWaalsContact CG1-NE2 3.26Å; V101-H493 WeakPolarHBondContact CG1-NE2 3.35Å
102	T	89.9	Confident	73	Confident	118 Å²	118	113.9 Å²	113.9	72%	0.724	59%	0.589	S	S	*	*			trans	-125.6	145	175.5	58	0	0	0	0	109.3	Y100	Y100-T102 PolarHBondContact O-N 3.17Å
103	F	94.6	Very high	75.7	Confident	35 Å²	35	107 Å²	107	15%	0.154	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-59.6	152.1	171	-59.1	-49.4	0	0	0	111.2	F386 E389 L390 C414 H493	F103-F386 HydrophobicContact CD1-CD2 4.3Å; F103-F386 HydrophobicContact CD1-CE2 4.23Å; F103-F386 HydrophobicContact CD2-CD2 4.48Å; F103-F386 AromaticContact CD2-CE2 3.84Å; F103-F386 HydrophobicContact CD2-CE2 3.84Å; F103-F386 HydrophobicContact CE1-CE2 4.19Å; F103-F386 AromaticContact CE2-CE2 3.77Å; F103-F386 HydrophobicContact CE2-CE2 3.77Å; F103-F386 HydrophobicContact CG-CD2 4.29Å; F103-F386 HydrophobicContact CG-CE2 4.08Å; F103-F386 AromaticContact CZ-CE2 3.97Å; F103-F386 HydrophobicContact CZ-CE2 3.97Å; F103-E389 VanDerWaalsContact CA-OE2 3.27Å; F103-E389 WeakPolarHBondContact CA-OE2 3.2Å; F103-E389 WeakPolarHBondContact CB-OE2 3.21Å; F103-E389 HydrophobicContact CD1-CB 3.76Å; F103-E389 HydrophobicContact CD1-CG 4.49Å; F103-E389 WeakPolarHBondContact CD1-OE2 3.47Å; F103-E389 HydrophobicContact CE1-CB 4.03Å; F103-L390 HydrophobicContact CE1-CD2 4.07Å; F103-L390 HydrophobicContact CE2-CD2 4.44Å; F103-L390 HydrophobicContact CZ-CD2 3.6Å; F103-C414 HydrophobicContact CE2-CB 4.19Å; F103-C414 VanDerWaalsContact CE2-O 3.28Å; F103-C414 WeakPolarHBondContact CE2-O 3.4Å; F103-C414 HydrophobicContact CZ-CB 4.06Å; F103-H493 AromaticContact CE1-CD2 3.8Å
104	K	94.4	Very high	78.5	Confident	111 Å²	111	103.2 Å²	103.2	48%	0.483	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-58.3	139.5	175.1	-61	175.7	-166.4	172.8	0	109.5	R310 D385 E389	K104-R310 PolarHBondContact O-NH1 3.09Å; K104-D385 IonicContact NZ-OD2 3.88Å; K104-D385 PolarHBondContact NZ-OD2 2.71Å; K104-E389 VanDerWaalsContact CD-OE1 3.29Å; K104-E389 WeakPolarHBondContact CD-OE1 3.43Å; K104-E389 WeakPolarHBondContact CE-OE1 3.45Å; K104-E389 VanDerWaalsContact CG-OE1 3.31Å; K104-E389 WeakPolarHBondContact CG-OE1 3.3Å; K104-E389 PolarHBondContact N-OE2 2.72Å
105	P	92.7	Very high	81.4	Confident	103 Å²	103	95.2 Å²	95.2	67%	0.669	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-65.3	153.9	176.6	29.5	-35.3	0	0	0	110.4
106	D	90.1	Very high	84.2	Confident	66 Å²	66	93.1 Å²	93.1	35%	0.353	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-70.5	132.1	171.9	-161.9	-5.4	0	0	0	110.6	H108 K308 D309 R310	D106-H108 PolarHBondContact OD1-N 3.3Å; D106-K308 VanDerWaalsContact OD2-O 3.1Å; D106-D309 WeakPolarHBondContact OD2-CA 3.35Å; D106-R310 HydrophobicContact CB-CG 4.32Å
107	T	93	Very high	86.5	Confident	134 Å²	134	93.5 Å²	93.5	82%	0.822	49%	0.485	S	S	*	.			trans	-117.3	-7.3	177.4	60.4	0	0	0	0	112.1
108	H	94.4	Very high	88.8	Confident	60 Å²	60	88.5 Å²	88.5	28%	0.278	48%	0.48	S	S	.	.			trans	-89.2	117.8	-176	-171.3	49.9	0	0	0	110.4	D106 Y110 R193 S307	D106-H108 PolarHBondContact OD1-N 3.3Å; H108-Y110 PolarHBondContact O-N 2.86Å; H108-R193 PolarHBondContact CE1-O 3.3Å; H108-R193 PolarHBondContact NE2-O 2.91Å; H108-S307 PolarHBondContact CD2-O 3.24Å
109	A	94.4	Very high	91	Very high	69 Å²	69	85.9 Å²	85.9	57%	0.57	47%	0.474	S	S	*	.			trans	-86	106.2	178	0	0	0	0	0	110.2	R193	A109-R193 VanDerWaalsContact O-CZ 3.28Å; A109-R193 PolarHBondContact O-NH1 3.32Å
110	Y	97.2	Very high	92.8	Very high	19 Å²	19	81.3 Å²	81.3	8%	0.075	45%	0.454	C	S	.	.			trans	-127.2	134.8	179.3	-171.2	-94.7	0	0	0	112	H108 D191 R193 L194 A304 S307 K308	H108-Y110 PolarHBondContact O-N 2.86Å; Y110-D191 HydrophobicContact CD2-CB 4.18Å; Y110-D191 HydrophobicContact CE1-CB 4.49Å; Y110-D191 HydrophobicContact CE2-CB 3.64Å; Y110-D191 PolarHBondContact OH-N 2.94Å; Y110-D191 PolarHBondContact OH-O 3.07Å; Y110-R193 HydrophobicContact CD2-CB 4.19Å; Y110-R193 WeakPolarHBondContact CD2-O 3.34Å; Y110-L194 HydrophobicContact CE2-CD2 3.77Å; Y110-L194 HydrophobicContact CE2-CG 4.13Å; Y110-L194 WeakPolarHBondContact OH-CD2 3.39Å; Y110-A304 HydrophobicContact CE1-CB 3.84Å; Y110-A304 WeakPolarHBondContact OH-CB 3.4Å; Y110-S307 WeakPolarHBondContact CB-O 3.23Å; Y110-K308 HydrophobicContact CD1-CB 4.21Å
111	N	96.2	Very high	94.1	Very high	101 Å²	101	76.6 Å²	76.6	54%	0.54	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-88	138.4	177.9	-66.8	-28.9	0	0	0	110.5	D191 R193	N111-D191 HydrophobicContact CB-CB 4.46Å; N111-D191 PolarHBondContact ND2-OD2 3.32Å; N111-R193 PolarHBondContact ND2-NH2 3.08Å
112	S	94.5	Very high	94.6	Very high	56 Å²	56	77.2 Å²	77.2	39%	0.392	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-62.8	144.5	176.7	-56.8	0	0	0	0	110.8	K308	S112-K308 WeakPolarHBondContact OG-CD 3.49Å; S112-K308 VanDerWaalsContact OG-CE 3.23Å; S112-K308 WeakPolarHBondContact OG-CE 3.31Å; S112-K308 PolarHBondContact OG-NZ 3.45Å
113	P	97.3	Very high	94.9	Very high	42 Å²	42	73.3 Å²	73.3	27%	0.273	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.5	153.5	179.3	29.7	-35.6	0	0	0	111.3	W188 H189 Y190	P113-W188 HydrophobicContact CB-CE3 3.95Å; P113-W188 HydrophobicContact CB-CZ3 4.44Å; P113-W188 HydrophobicContact CG-CE3 4.22Å; P113-W188 HydrophobicContact CG-CZ3 4.36Å; P113-H189 CarbonylContact C-O 3.57Å; P113-H189 WeakPolarHBondContact CA-O 3.45Å; P113-H189 WeakPolarHBondContact CB-O 3.38Å; P113-Y190 HydrophobicContact CB-CD1 3.59Å; P113-Y190 HydrophobicContact CB-CE1 3.85Å; P113-Y190 HydrophobicContact CB-CG 4.25Å; P113-Y190 HydrophobicContact CG-CD1 4.13Å; P113-Y190 HydrophobicContact CG-CE1 4.11Å
114	E	97.3	Very high	95	Very high	115 Å²	115	72.6 Å²	72.6	54%	0.537	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.2	-179.7	-66.8	-178.1	167.1	0	0	110.9	K116 H189	E114-K116 WeakPolarHBondContact OE2-CE 3.44Å; E114-K116 IonicContact OE2-NZ 3.69Å; E114-K116 PolarHBondContact OE2-NZ 3.35Å; E114-H189 PolarHBondContact N-O 3.45Å; E114-H189 PolarHBondContact O-N 3.07Å
115	L	97.4	Very high	95	Very high	20 Å²	20	70.3 Å²	70.3	11%	0.105	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.5	172.7	-173.1	77.6	0	0	0	110.3	K117 E184 W188 Y365	L115-K117 HydrophobicContact CD2-CG 4.27Å; L115-E184 HydrophobicContact CD1-CG 3.58Å; L115-E184 WeakPolarHBondContact CD1-O 3.32Å; L115-E184 HydrophobicContact CD2-CG 3.73Å; L115-E184 WeakPolarHBondContact CD2-OE1 3.24Å; L115-E184 HydrophobicContact CG-CG 4.31Å; L115-W188 HydrophobicContact CB-CD2 4.07Å; L115-W188 HydrophobicContact CB-CE3 3.89Å; L115-W188 HydrophobicContact CB-CH2 3.92Å; L115-W188 HydrophobicContact CB-CZ2 4.06Å; L115-W188 HydrophobicContact CB-CZ3 3.82Å; L115-W188 HydrophobicContact CD1-CD2 3.83Å; L115-W188 HydrophobicContact CD1-CE3 4.49Å; L115-W188 HydrophobicContact CD1-CG 3.96Å; L115-W188 HydrophobicContact CD1-CZ2 4.2Å; L115-Y365 HydrophobicContact CB-CD2 4.46Å; L115-Y365 HydrophobicContact CB-CE1 4.49Å; L115-Y365 HydrophobicContact CB-CE2 4.18Å; L115-Y365 HydrophobicContact CD2-CD1 3.4Å; L115-Y365 VanDerWaalsContact CD2-CD1 3.4Å; L115-Y365 HydrophobicContact CD2-CD2 4.4Å; L115-Y365 HydrophobicContact CD2-CE1 3.52Å; L115-Y365 HydrophobicContact CD2-CE2 4.49Å; L115-Y365 HydrophobicContact CD2-CG 3.88Å
116	K	96.6	Very high	94.9	Very high	88 Å²	88	74.7 Å²	74.7	38%	0.383	41%	0.414	S	S	.	.			trans	-116.8	85.9	178.9	-62.5	-178.7	-178	170.7	0	110.4	E114 G118 V119 Y187	E114-K116 WeakPolarHBondContact OE2-CE 3.44Å; E114-K116 IonicContact OE2-NZ 3.69Å; E114-K116 PolarHBondContact OE2-NZ 3.35Å; K116-G118 PolarHBondContact O-N 3.27Å; K116-V119 HydrophobicContact CB-CB 4.17Å; K116-V119 PolarHBondContact O-N 3.24Å; K116-Y187 PolarHBondContact N-O 2.74Å
117	K	90.5	Very high	95	Very high	157 Å²	157	78.7 Å²	78.7	68%	0.683	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	130.8	-178.2	-66.6	-170.6	176.9	-172	0	111.4	L115 V119	L115-K117 HydrophobicContact CD2-CG 4.27Å; K117-V119 VanDerWaalsContact C-N 3.27Å; K117-V119 PolarHBondContact O-N 2.85Å
118	G	90.9	Very high	94.9	Very high	70 Å²	70	77.7 Å²	77.7	72%	0.722	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-4.8	-179.7	0	0	0	0	0	115.2	K116	K116-G118 PolarHBondContact O-N 3.27Å
119	V	96.6	Very high	94.9	Very high	82 Å²	82	77 Å²	77	50%	0.497	42%	0.423	S	S	.	.	S	Bend	trans	-114.3	111.6	173.7	-175.8	0	0	0	0	108.7	K116 K117 G121 H189	K116-V119 HydrophobicContact CB-CB 4.17Å; K116-V119 PolarHBondContact O-N 3.24Å; K117-V119 VanDerWaalsContact C-N 3.27Å; K117-V119 PolarHBondContact O-N 2.85Å; V119-G121 PolarHBondContact O-N 3.24Å; V119-H189 PolarHBondContact O-NE2 3.42Å; V119-H189 VanDerWaalsContact O-NE2 3.12Å
120	L	96.4	Very high	94.9	Very high	91 Å²	91	78.1 Å²	78.1	48%	0.476	42%	0.424	S	S	.	.			trans	-53.7	135.4	180	-166.2	70.4	0	0	0	110.8	E124 K186 H189	L120-E124 HydrophobicContact CD1-CB 3.97Å; L120-E124 HydrophobicContact CD1-CG 3.96Å; L120-E124 HydrophobicContact CD2-CB 4.07Å; L120-E124 HydrophobicContact CG-CB 3.79Å; L120-E124 HydrophobicContact CG-CG 4.15Å; L120-K186 HydrophobicContact CD1-CB 4.16Å; L120-H189 PolarHBondContact O-CE1 3.34Å; L120-H189 PolarHBondContact O-NE2 2.59Å
121	G	95.7	Very high	94.8	Very high	5 Å²	5	79.9 Å²	79.9	5%	0.052	44%	0.438	C	S	.	.			trans	-61.5	148.1	-176.8	0	0	0	0	0	112.4	V119 F123 E124 K186 W188	V119-G121 PolarHBondContact O-N 3.24Å; G121-F123 PolarHBondContact O-N 3.27Å; G121-F123 VanDerWaalsContact O-N 3.13Å; G121-E124 PolarHBondContact O-N 2.97Å; G121-E124 VanDerWaalsContact O-N 3.14Å; G121-K186 WeakPolarHBondContact CA-O 3.24Å; G121-K186 PolarHBondContact N-O 2.85Å; G121-W188 VanDerWaalsContact CA-O 3.26Å; G121-W188 WeakPolarHBondContact CA-O 3.36Å
122	N	96.8	Very high	94.7	Very high	80 Å²	80	76.7 Å²	76.7	43%	0.428	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.5	-176.7	64.2	-39.8	0	0	0	114.8	H189 Y190	N122-H189 VanDerWaalsContact OD1-CA 3.23Å; N122-H189 WeakPolarHBondContact OD1-CA 3.33Å; N122-Y190 PolarHBondContact ND2-O 3.26Å; N122-Y190 PolarHBondContact OD1-N 3.06Å
123	F	96.8	Very high	94.8	Very high	36 Å²	36	77.4 Å²	77.4	16%	0.158	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	0.2	174.3	-78	-105.5	0	0	0	113.7	G121 Y190 D192 L194 Y226 N297 A300	G121-F123 PolarHBondContact O-N 3.27Å; G121-F123 VanDerWaalsContact O-N 3.13Å; F123-Y190 HydrophobicContact CB-CD2 4.49Å; F123-Y190 HydrophobicContact CD2-CD2 4.01Å; F123-Y190 HydrophobicContact CD2-CG 4.39Å; F123-Y190 HydrophobicContact CG-CD2 4.46Å; F123-D192 WeakPolarHBondContact CE2-OD1 3.39Å; F123-L194 HydrophobicContact CE1-CD1 3.71Å; F123-L194 HydrophobicContact CZ-CD1 3.58Å; F123-Y226 AromaticContact CE1-CE2 3.6Å; F123-Y226 HydrophobicContact CE1-CE2 3.6Å; F123-Y226 HydrophobicContact CZ-CE2 4.07Å; F123-N297 VanDerWaalsContact CB-OD1 3.27Å; F123-N297 WeakPolarHBondContact CB-OD1 3.47Å; F123-A300 HydrophobicContact CB-CB 4.3Å; F123-A300 HydrophobicContact CD1-CB 3.6Å; F123-A300 HydrophobicContact CD2-CB 4.25Å; F123-A300 HydrophobicContact CE1-CB 3.81Å; F123-A300 HydrophobicContact CE2-CB 4.49Å; F123-A300 HydrophobicContact CG-CB 3.81Å; F123-A300 HydrophobicContact CZ-CB 4.27Å
124	E	96.9	Very high	94.7	Very high	19 Å²	19	80.2 Å²	80.2	9%	0.089	45%	0.449	C	S	.	.	S	Bend	trans	-73.4	143.4	175	-66.8	-58	129.9	0	0	110.9	L120 G121 K126 R181 K186 N297	L120-E124 HydrophobicContact CD1-CB 3.97Å; L120-E124 HydrophobicContact CD1-CG 3.96Å; L120-E124 HydrophobicContact CD2-CB 4.07Å; L120-E124 HydrophobicContact CG-CB 3.79Å; L120-E124 HydrophobicContact CG-CG 4.15Å; G121-E124 PolarHBondContact O-N 2.97Å; G121-E124 VanDerWaalsContact O-N 3.14Å; E124-K126 PolarHBondContact O-N 3.35Å; E124-R181 IonicContact OE1-CZ 2.84Å; E124-R181 IonicContact OE1-NH1 3.57Å; E124-R181 PolarHBondContact OE1-NH1 2.96Å; E124-R181 IonicContact OE1-NH2 3.65Å; E124-R181 IonicContact OE2-CZ 2.82Å; E124-R181 IonicContact OE2-NH1 3.53Å; E124-R181 PolarHBondContact OE2-NH1 3.46Å; E124-R181 IonicContact OE2-NH2 3.65Å; E124-R181 PolarHBondContact OE2-NH2 3.5Å; E124-K186 HydrophobicContact CG-CB 4.21Å; E124-K186 VanDerWaalsContact CG-O 3.32Å; E124-K186 WeakPolarHBondContact CG-O 3.4Å; E124-N297 PolarHBondContact OE1-ND2 2.86Å
125	P	94	Very high	94.4	Very high	64 Å²	64	82.8 Å²	82.8	42%	0.416	47%	0.467	S	S	.	.			trans	-57.5	130.9	170.7	-21	32	0	0	0	110.5	E127 I296	P125-E127 VanDerWaalsContact C-N 3.32Å; P125-E127 WeakPolarHBondContact CB-O 3.21Å; P125-I296 HydrophobicContact CG-CG2 3.49Å; P125-I296 VanDerWaalsContact CG-CG2 3.49Å
126	K	91	Very high	94.2	Very high	195 Å²	195	82.6 Å²	82.6	85%	0.848	47%	0.469	S	S	*	.	S	Bend	trans	-71.5	-31.6	177.1	-64.4	-176.2	-179.6	-178.7	0	112.4	E124	E124-K126 PolarHBondContact O-N 3.35Å
127	E	91.6	Very high	94.3	Very high	149 Å²	149	80.6 Å²	80.6	70%	0.696	47%	0.465	S	S	*	.	S	Bend	trans	-126	153.3	179.5	-64.9	-63.4	159.1	0	0	108.9	P125	P125-E127 VanDerWaalsContact C-N 3.32Å; P125-E127 WeakPolarHBondContact CB-O 3.21Å
128	P	91.3	Very high	94.5	Very high	113 Å²	113	73.3 Å²	73.3	73%	0.734	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-54.8	140.4	173.7	-24.1	34	0	0	0	112
129	E	93.1	Very high	94.8	Very high	47 Å²	47	70.7 Å²	70.7	22%	0.22	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-62.3	128.6	176.1	-172.9	-176	114.8	0	0	109.9	T176 K220 R221	E129-T176 HydrophobicContact CB-CG2 4.16Å; E129-T176 HydrophobicContact CG-CG2 4.04Å; E129-T176 WeakPolarHBondContact O-CG2 3.35Å; E129-K220 VanDerWaalsContact CD-CE 3.49Å; E129-K220 WeakPolarHBondContact OE1-CE 3.31Å; E129-K220 IonicContact OE1-NZ 3.1Å; E129-K220 PolarHBondContact OE1-NZ 2.9Å; E129-R221 IonicContact OE1-CZ 4Å; E129-R221 IonicContact OE1-NE 3.94Å; E129-R221 IonicContact OE1-NH2 3.29Å; E129-R221 PolarHBondContact OE1-NH2 3.17Å; E129-R221 IonicContact OE2-CZ 2.85Å; E129-R221 IonicContact OE2-NE 2.85Å; E129-R221 PolarHBondContact OE2-NE 3.39Å; E129-R221 IonicContact OE2-NH2 2.7Å
130	P	94.5	Very high	94.8	Very high	91 Å²	91	68.1 Å²	68.1	59%	0.591	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-68.3	141.5	177.5	27	-33.5	0	0	0	111	T176 K220	P130-T176 WeakPolarHBondContact O-CG2 3.41Å; P130-K220 PolarHBondContact O-NZ 3.4Å; P130-K220 VanDerWaalsContact O-NZ 3.1Å
131	P	95.9	Very high	94.7	Very high	57 Å²	57	64.2 Å²	64.2	37%	0.37	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-63.6	147.2	174.5	29.2	-34.8	0	0	0	110.4	V133 E139 T176	P131-V133 VanDerWaalsContact C-N 3.34Å; P131-E139 WeakPolarHBondContact CA-OE2 3.38Å; P131-E139 HydrophobicContact CB-CG 4.18Å; P131-E139 WeakPolarHBondContact CB-OE2 3.48Å; P131-T176 HydrophobicContact CB-CG2 4.44Å
132	G	94.8	Very high	94.7	Very high	33 Å²	33	70.9 Å²	70.9	34%	0.34	40%	0.402	S	S	.	.	S	Bend	trans	-66.4	-41.2	174	0	0	0	0	0	110.9	E139	G132-E139 WeakPolarHBondContact CA-OE1 3.12Å; G132-E139 PolarHBondContact N-OE1 3.02Å
133	V	96.1	Very high	94.7	Very high	71 Å²	71	70.8 Å²	70.8	43%	0.43	41%	0.406	S	S	.	.	S	Bend	trans	-127.3	120.3	169.1	177.8	0	0	0	0	108.6	P131 N135 G136 E139	P131-V133 VanDerWaalsContact C-N 3.34Å; V133-N135 PolarHBondContact O-N 2.62Å; V133-N135 VanDerWaalsContact O-N 3.16Å; V133-G136 WeakPolarHBondContact O-CA 3.32Å; V133-G136 PolarHBondContact O-N 2.86Å; V133-E139 PolarHBondContact N-OE1 3.09Å; V133-E139 WeakPolarHBondContact O-CG 3.29Å
134	P	94.1	Very high	94.7	Very high	101 Å²	101	71 Å²	71	66%	0.656	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	121.9	178.4	-26.6	35	0	0	0	112	G136	P134-G136 PolarHBondContact O-N 3.19Å
135	N	90.9	Very high	94.7	Very high	170 Å²	170	74.8 Å²	74.8	91%	0.909	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	25.9	-173.6	-55.9	-46.6	0	0	0	114.2	V133	V133-N135 PolarHBondContact O-N 2.62Å; V133-N135 VanDerWaalsContact O-N 3.16Å
136	G	94.6	Very high	94.7	Very high	15 Å²	15	73.3 Å²	73.3	16%	0.155	42%	0.42	C	S	.	.			trans	-71.7	164.8	178.2	0	0	0	0	0	113.3	V133 P134 E139	V133-G136 WeakPolarHBondContact O-CA 3.32Å; V133-G136 PolarHBondContact O-N 2.86Å; P134-G136 PolarHBondContact O-N 3.19Å; G136-E139 WeakPolarHBondContact O-CG 3.44Å
137	P	96.8	Very high	94.9	Very high	46 Å²	46	65.2 Å²	65.2	30%	0.299	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	139.6	176.7	28.2	-35.4	0	0	0	111.2	E139 F144 M170 I171	P137-E139 PolarHBondContact O-N 2.86Å; P137-F144 HydrophobicContact CB-CD1 4.1Å; P137-F144 HydrophobicContact CB-CD2 3.5Å; P137-F144 HydrophobicContact CB-CE1 4.1Å; P137-F144 HydrophobicContact CB-CE2 3.51Å; P137-F144 HydrophobicContact CB-CG 3.82Å; P137-F144 HydrophobicContact CB-CZ 3.82Å; P137-M170 HydrophobicContact CG-CB 4.48Å; P137-M170 WeakPolarHBondContact CG-O 3.36Å; P137-I171 HydrophobicContact CB-CG1 4.49Å
138	G	96.2	Very high	95	Very high	4 Å²	4	63.7 Å²	63.7	4%	0.041	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-0.7	176.7	0	0	0	0	0	116.3	A141 R175	G138-A141 PolarHBondContact O-N 3.41Å; G138-R175 WeakPolarHBondContact O-CD 3.48Å; G138-R175 PolarHBondContact O-NH1 3.35Å; G138-R175 VanDerWaalsContact O-NH1 3.13Å
139	E	97.1	Very high	95.3	Very high	15 Å²	15	64.7 Å²	64.7	7%	0.07	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-62.9	140.1	175.9	-70.5	-70.9	170.5	0	0	111.7	P131 G132 V133 G136 P137 A141 K142 T176	P131-E139 WeakPolarHBondContact CA-OE2 3.38Å; P131-E139 HydrophobicContact CB-CG 4.18Å; P131-E139 WeakPolarHBondContact CB-OE2 3.48Å; G132-E139 WeakPolarHBondContact CA-OE1 3.12Å; G132-E139 PolarHBondContact N-OE1 3.02Å; V133-E139 PolarHBondContact N-OE1 3.09Å; V133-E139 WeakPolarHBondContact O-CG 3.29Å; G136-E139 WeakPolarHBondContact O-CG 3.44Å; P137-E139 PolarHBondContact O-N 2.86Å; E139-A141 PolarHBondContact O-N 3.04Å; E139-K142 WeakPolarHBondContact O-CB 3.32Å; E139-K142 WeakPolarHBondContact O-CG 3.37Å; E139-K142 PolarHBondContact O-N 2.81Å; E139-T176 WeakPolarHBondContact OE2-CB 3.23Å; E139-T176 PolarHBondContact OE2-N 3.17Å; E139-T176 PolarHBondContact OE2-OG1 3.16Å
140	G	95.4	Very high	95.5	Very high	28 Å²	28	66.3 Å²	66.3	29%	0.289	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	64.2	23.2	-173.4	0	0	0	0	0	113.4	K142 T176	G140-K142 PolarHBondContact O-N 3.14Å; G140-T176 WeakPolarHBondContact CA-O 3.29Å; G140-T176 PolarHBondContact N-O 3.13Å; G140-T176 PolarHBondContact N-OG1 3.46Å
141	A	95.9	Very high	95.5	Very high	10 Å²	10	68.7 Å²	68.7	8%	0.083	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	54.4	31.2	-172.6	0	0	0	0	0	114.1	G138 E139 T176 M328	G138-A141 PolarHBondContact O-N 3.41Å; E139-A141 PolarHBondContact O-N 3.04Å; A141-T176 PolarHBondContact N-O 3.45Å; A141-M328 HydrophobicContact CB-CB 3.71Å
142	K	95.9	Very high	95.5	Very high	145 Å²	145	72 Å²	72	63%	0.63	41%	0.41	S	S	*	.			trans	-69.6	146.6	172.2	-70.2	176.8	-177.5	176.5	0	110.7	E139 G140 F144	E139-K142 WeakPolarHBondContact O-CB 3.32Å; E139-K142 WeakPolarHBondContact O-CG 3.37Å; E139-K142 PolarHBondContact O-N 2.81Å; G140-K142 PolarHBondContact O-N 3.14Å; K142-F144 PolarHBondContact O-N 3.07Å
143	P	96.7	Very high	95.6	Very high	78 Å²	78	73.7 Å²	73.7	51%	0.506	42%	0.416	S	S	.	.			trans	-60.6	134.3	178.6	23.3	-32.1	0	0	0	110.8	V145 E325 T327	P143-V145 HydrophobicContact CB-CG2 4.48Å; P143-E325 HydrophobicContact CB-CB 4.32Å; P143-E325 WeakPolarHBondContact CB-OE2 3.31Å; P143-T327 VanDerWaalsContact CA-CG2 3.41Å; P143-T327 HydrophobicContact CB-CG2 3.45Å; P143-T327 VanDerWaalsContact CB-CG2 3.45Å; P143-T327 HydrophobicContact CG-CG2 4.11Å
144	F	96.6	Very high	95.7	Very high	41 Å²	41	71.2 Å²	71.2	18%	0.18	40%	0.401	C	S	.	.			trans	-112.5	92.9	172.6	-174.9	-129.7	0	0	0	110.6	P137 K142 L146 A167 M170 I171 E325	P137-F144 HydrophobicContact CB-CD1 4.1Å; P137-F144 HydrophobicContact CB-CD2 3.5Å; P137-F144 HydrophobicContact CB-CE1 4.1Å; P137-F144 HydrophobicContact CB-CE2 3.51Å; P137-F144 HydrophobicContact CB-CG 3.82Å; P137-F144 HydrophobicContact CB-CZ 3.82Å; K142-F144 PolarHBondContact O-N 3.07Å; F144-L146 HydrophobicContact CD1-CD2 4.43Å; F144-L146 HydrophobicContact CE1-CD2 3.59Å; F144-L146 HydrophobicContact CE1-CG 4.27Å; F144-L146 HydrophobicContact CE2-CD2 4.39Å; F144-L146 HydrophobicContact CZ-CD2 3.57Å; F144-A167 HydrophobicContact CD1-CB 3.88Å; F144-A167 HydrophobicContact CE1-CB 4.32Å; F144-M170 HydrophobicContact CE1-CB 3.72Å; F144-M170 HydrophobicContact CE1-CG 4.33Å; F144-M170 HydrophobicContact CE1-SD 3.82Å; F144-M170 HydrophobicContact CZ-CB 4.15Å; F144-M170 HydrophobicContact CZ-SD 3.77Å; F144-I171 HydrophobicContact CB-CD1 4.23Å; F144-I171 HydrophobicContact CD1-CD1 4.23Å; F144-I171 HydrophobicContact CD1-CG1 4.06Å; F144-E325 PolarHBondContact N-O 2.87Å
145	V	95.9	Very high	95.8	Very high	98 Å²	98	72.3 Å²	72.3	59%	0.594	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-91.4	120.4	-178.5	-173.1	0	0	0	0	109.7	P143 E325	P143-V145 HydrophobicContact CB-CG2 4.48Å; V145-E325 HydrophobicContact CG2-CG 4.24Å
146	L	95.1	Very high	96.1	Very high	33 Å²	33	66.9 Å²	66.9	17%	0.173	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-85.1	149.8	175.8	-67.6	175.4	0	0	0	111.6	F144 Y150 V154 V166 A167 M170	F144-L146 HydrophobicContact CD1-CD2 4.43Å; F144-L146 HydrophobicContact CE1-CD2 3.59Å; F144-L146 HydrophobicContact CE1-CG 4.27Å; F144-L146 HydrophobicContact CE2-CD2 4.39Å; F144-L146 HydrophobicContact CZ-CD2 3.57Å; L146-Y150 HydrophobicContact CB-CD2 4Å; L146-Y150 HydrophobicContact CB-CG 4.36Å; L146-Y150 HydrophobicContact CD1-CG 4.34Å; L146-Y150 HydrophobicContact CD2-CD2 4.12Å; L146-Y150 HydrophobicContact CD2-CE2 4.32Å; L146-Y150 HydrophobicContact CG-CD2 4.49Å; L146-V154 HydrophobicContact CD1-CG2 3.95Å; L146-V166 HydrophobicContact CD1-CB 3.87Å; L146-V166 HydrophobicContact CD1-CG1 3.65Å; L146-A167 HydrophobicContact CD1-CB 3.97Å; L146-A167 HydrophobicContact CG-CB 4.38Å; L146-M170 HydrophobicContact CD2-SD 3.95Å
147	G	93.8	Very high	96.2	Very high	25 Å²	25	66.7 Å²	66.7	26%	0.258	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-70.4	164.9	175.1	0	0	0	0	0	113.6	E149 Y150	G147-E149 VanDerWaalsContact CA-OE2 3.29Å; G147-E149 WeakPolarHBondContact CA-OE2 3.47Å; G147-E149 PolarHBondContact O-N 3.05Å; G147-E149 VanDerWaalsContact O-N 3.13Å; G147-Y150 PolarHBondContact O-N 3.06Å; G147-Y150 VanDerWaalsContact O-N 3.11Å
148	P	95.1	Very high	96.2	Very high	117 Å²	117	65.6 Å²	65.6	76%	0.76	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-60.7	-22	-177.9	26.7	-35.6	0	0	0	113.7	Y150 K151	P148-Y150 PolarHBondContact O-N 3.28Å; P148-K151 WeakPolarHBondContact O-CB 3.28Å; P148-K151 PolarHBondContact O-N 2.99Å; P148-K151 VanDerWaalsContact O-N 3.13Å
149	E	96.9	Very high	96.1	Very high	134 Å²	134	70.7 Å²	70.7	63%	0.626	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23.5	175.4	66.5	-80.7	-173	0	0	113.5	G147	G147-E149 VanDerWaalsContact CA-OE2 3.29Å; G147-E149 WeakPolarHBondContact CA-OE2 3.47Å; G147-E149 PolarHBondContact O-N 3.05Å; G147-E149 VanDerWaalsContact O-N 3.13Å
150	Y	96.3	Very high	96	Very high	81 Å²	81	74.3 Å²	74.3	32%	0.318	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-91.4	-4.7	178.1	-64.2	-77.5	0	0	0	113.6	L146 G147 P148 D152 S153 V154 V166 M170	L146-Y150 HydrophobicContact CB-CD2 4Å; L146-Y150 HydrophobicContact CB-CG 4.36Å; L146-Y150 HydrophobicContact CD1-CG 4.34Å; L146-Y150 HydrophobicContact CD2-CD2 4.12Å; L146-Y150 HydrophobicContact CD2-CE2 4.32Å; L146-Y150 HydrophobicContact CG-CD2 4.49Å; G147-Y150 PolarHBondContact O-N 3.06Å; G147-Y150 VanDerWaalsContact O-N 3.11Å; P148-Y150 PolarHBondContact O-N 3.28Å; Y150-D152 VanDerWaalsContact C-N 3.32Å; Y150-D152 PolarHBondContact O-N 3.19Å; Y150-D152 VanDerWaalsContact O-N 3.17Å; Y150-S153 PolarHBondContact O-N 3.4Å; Y150-V154 WeakPolarHBondContact O-CG2 3.35Å; Y150-V154 PolarHBondContact O-N 2.99Å; Y150-V166 HydrophobicContact CD1-CG1 3.79Å; Y150-V166 HydrophobicContact CE1-CG1 4.41Å; Y150-V166 HydrophobicContact CG-CG1 4.34Å; Y150-M170 HydrophobicContact CE1-CE 3.89Å
151	K	95.5	Very high	96	Very high	140 Å²	140	74 Å²	74	61%	0.609	39%	0.393	S	S	*	.	H	α-helix	trans	-50.4	-47.4	-169.4	-177.3	-178.5	177.3	-176.6	0	113.6	P148 V154 Q155	P148-K151 WeakPolarHBondContact O-CB 3.28Å; P148-K151 PolarHBondContact O-N 2.99Å; P148-K151 VanDerWaalsContact O-N 3.13Å; K151-V154 PolarHBondContact O-N 2.85Å; K151-Q155 WeakPolarHBondContact O-CB 3.11Å; K151-Q155 PolarHBondContact O-N 3.05Å
152	D	96.6	Very high	96.1	Very high	128 Å²	128	73.6 Å²	73.6	68%	0.684	39%	0.389	S	S	*	.	H	α-helix	trans	-68.5	-38.9	-177.6	-65.8	-16.7	0	0	0	111.8	Y150 Q155 A156	Y150-D152 VanDerWaalsContact C-N 3.32Å; Y150-D152 PolarHBondContact O-N 3.19Å; Y150-D152 VanDerWaalsContact O-N 3.17Å; D152-Q155 PolarHBondContact O-N 3.37Å; D152-A156 WeakPolarHBondContact O-CB 3.29Å; D152-A156 PolarHBondContact O-N 2.88Å
153	S	97.2	Very high	96	Very high	67 Å²	67	66.7 Å²	66.7	47%	0.469	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-39.7	176.9	-62.4	0	0	0	0	111.5	Y150 A156 S157	Y150-S153 PolarHBondContact O-N 3.4Å; S153-A156 PolarHBondContact O-N 3.12Å; S153-S157 WeakPolarHBondContact O-CB 3.49Å; S153-S157 PolarHBondContact O-N 3.07Å; S153-S157 PolarHBondContact O-OG 3.38Å
154	V	97.3	Very high	96.1	Very high	19 Å²	19	63.1 Å²	63.1	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-51.9	173.7	171.5	0	0	0	0	109.6	L146 Y150 K151 A156 S157 I158 N164 V166	L146-V154 HydrophobicContact CD1-CG2 3.95Å; Y150-V154 WeakPolarHBondContact O-CG2 3.35Å; Y150-V154 PolarHBondContact O-N 2.99Å; K151-V154 PolarHBondContact O-N 2.85Å; V154-A156 VanDerWaalsContact C-N 3.33Å; V154-A156 PolarHBondContact O-N 3.31Å; V154-S157 PolarHBondContact O-N 3.16Å; V154-S157 VanDerWaalsContact O-N 3.13Å; V154-S157 PolarHBondContact O-OG 2.86Å; V154-I158 HydrophobicContact CG1-CD1 3.64Å; V154-I158 HydrophobicContact CG1-CG1 4.31Å; V154-I158 WeakPolarHBondContact O-CG1 3.41Å; V154-I158 PolarHBondContact O-N 3.33Å; V154-N164 HydrophobicContact CG1-CB 4.22Å; V154-V166 HydrophobicContact CG2-CB 4.21Å; V154-V166 HydrophobicContact CG2-CG2 4.25Å
155	Q	96.4	Very high	96.1	Very high	124 Å²	124	61.6 Å²	61.6	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-61.1	-40.5	179.9	-172.3	175.4	2.9	0	0	112.4	K151 D152 I158 K159	K151-Q155 WeakPolarHBondContact O-CB 3.11Å; K151-Q155 PolarHBondContact O-N 3.05Å; D152-Q155 PolarHBondContact O-N 3.37Å; Q155-I158 PolarHBondContact O-N 2.86Å; Q155-K159 WeakPolarHBondContact O-CB 3.28Å; Q155-K159 PolarHBondContact O-N 2.95Å
156	A	96.6	Very high	96.2	Very high	56 Å²	56	58.2 Å²	58.2	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-45.3	174.4	0	0	0	0	0	111.6	D152 S153 V154 K159 E160	D152-A156 WeakPolarHBondContact O-CB 3.29Å; D152-A156 PolarHBondContact O-N 2.88Å; S153-A156 PolarHBondContact O-N 3.12Å; V154-A156 VanDerWaalsContact C-N 3.33Å; V154-A156 PolarHBondContact O-N 3.31Å; A156-K159 PolarHBondContact O-N 2.76Å; A156-E160 PolarHBondContact O-N 2.98Å; A156-E160 VanDerWaalsContact O-N 3.17Å
157	S	96.6	Very high	96.4	Very high	11 Å²	11	56.6 Å²	56.6	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-39.3	178.3	72.8	0	0	0	0	113.3	S153 V154 K159 E160 F161 F163 M165	S153-S157 WeakPolarHBondContact O-CB 3.49Å; S153-S157 PolarHBondContact O-N 3.07Å; S153-S157 PolarHBondContact O-OG 3.38Å; V154-S157 PolarHBondContact O-N 3.16Å; V154-S157 VanDerWaalsContact O-N 3.13Å; V154-S157 PolarHBondContact O-OG 2.86Å; S157-K159 VanDerWaalsContact C-N 3.34Å; S157-K159 PolarHBondContact O-N 3.27Å; S157-E160 PolarHBondContact O-N 2.03Å; S157-F161 PolarHBondContact O-N 3.44Å; S157-F163 CarbonylContact C-O 3.54Å; S157-F163 PolarHBondContact OG-O 2.86Å; S157-M165 PolarHBondContact OG-N 3.38Å
158	I	96.6	Very high	96.6	Very high	24 Å²	24	55.4 Å²	55.4	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-42.2	176	-68.3	171.1	0	0	0	110.2	V154 Q155 E160 G162 F163 L432	V154-I158 HydrophobicContact CG1-CD1 3.64Å; V154-I158 HydrophobicContact CG1-CG1 4.31Å; V154-I158 WeakPolarHBondContact O-CG1 3.41Å; V154-I158 PolarHBondContact O-N 3.33Å; Q155-I158 PolarHBondContact O-N 2.86Å; I158-E160 VanDerWaalsContact C-N 3.26Å; I158-E160 PolarHBondContact O-N 3.24Å; I158-G162 WeakPolarHBondContact O-CA 3.29Å; I158-G162 PolarHBondContact O-N 2.89Å; I158-F163 PolarHBondContact N-O 2.91Å; I158-L432 HydrophobicContact CD1-CD1 3.61Å; I158-L432 HydrophobicContact CG1-CD1 3.88Å; I158-L432 HydrophobicContact CG2-CB 3.98Å
159	K	95.8	Very high	96.8	Very high	110 Å²	110	54.6 Å²	54.6	48%	0.478	28%	0.277	S	S	.	.	H	α-helix	trans	-58.9	-40.4	177.5	-172.9	178.8	177.8	-179.5	0	111.9	Q155 A156 S157 Q436	Q155-K159 WeakPolarHBondContact O-CB 3.28Å; Q155-K159 PolarHBondContact O-N 2.95Å; A156-K159 PolarHBondContact O-N 2.76Å; S157-K159 VanDerWaalsContact C-N 3.34Å; S157-K159 PolarHBondContact O-N 3.27Å; K159-Q436 HydrophobicContact CG-CG 3.74Å; K159-Q436 PolarHBondContact O-N 3.32Å
160	E	94.9	Very high	96.8	Very high	91 Å²	91	52.1 Å²	52.1	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-80.3	-50.1	-177.4	-174.6	171.4	-175.9	0	0	113.3	A156 S157 I158 K239 W435	A156-E160 PolarHBondContact O-N 2.98Å; A156-E160 VanDerWaalsContact O-N 3.17Å; S157-E160 PolarHBondContact O-N 2.03Å; I158-E160 VanDerWaalsContact C-N 3.26Å; I158-E160 PolarHBondContact O-N 3.24Å; E160-K239 WeakPolarHBondContact OE1-CE 3.21Å; E160-K239 IonicContact OE1-NZ 2.8Å; E160-K239 PolarHBondContact OE1-NZ 2.93Å; E160-W435 PolarHBondContact O-NE1 3.23Å
161	F	95.5	Very high	96.9	Very high	23 Å²	23	48.4 Å²	48.4	10%	0.101	25%	0.252	C	S	.	.	H	α-helix	trans	-108.8	-14.1	-169.8	-61.4	-77.7	0	0	0	114	S157 F163 M165 R431	S157-F161 PolarHBondContact O-N 3.44Å; F161-F163 VanDerWaalsContact C-N 3.26Å; F161-F163 WeakPolarHBondContact O-CD2 3.19Å; F161-F163 PolarHBondContact O-N 3.31Å; F161-M165 HydrophobicContact CB-CG 3.84Å; F161-M165 HydrophobicContact CB-SD 4.22Å; F161-M165 HydrophobicContact CD2-CB 4.47Å; F161-M165 HydrophobicContact CD2-CG 3.46Å; F161-M165 VanDerWaalsContact CD2-CG 3.46Å; F161-M165 HydrophobicContact CE2-CG 4.19Å; F161-M165 HydrophobicContact CG-CG 3.75Å; F161-M165 HydrophobicContact CG-SD 4.31Å; F161-R431 PolarHBondContact O-NH1 3.1Å
162	G	96.1	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	77.4	6.8	-175.5	0	0	0	0	0	114.9	I158 R431 L432	I158-G162 WeakPolarHBondContact O-CA 3.29Å; I158-G162 PolarHBondContact O-N 2.89Å; G162-R431 CarbonylContact O-C 3.54Å; G162-R431 WeakPolarHBondContact O-CA 3.31Å; G162-L432 PolarHBondContact O-N 2.85Å
163	F	95.3	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-139.5	161.8	175.8	-42.2	-68.6	0	0	0	109.5	S157 I158 F161 M165 H291 I429 Y430 R431	S157-F163 CarbonylContact C-O 3.54Å; S157-F163 PolarHBondContact OG-O 2.86Å; I158-F163 PolarHBondContact N-O 2.91Å; F161-F163 VanDerWaalsContact C-N 3.26Å; F161-F163 WeakPolarHBondContact O-CD2 3.19Å; F161-F163 PolarHBondContact O-N 3.31Å; F163-M165 PolarHBondContact O-N 3.32Å; F163-H291 HydrophobicContact CE2-CB 4.33Å; F163-H291 HydrophobicContact CZ-CB 4.5Å; F163-H291 AromaticContact CZ-CD2 3.91Å; F163-I429 HydrophobicContact CB-CG2 4.48Å; F163-I429 HydrophobicContact CD1-CB 4.22Å; F163-I429 HydrophobicContact CD1-CG2 3.27Å; F163-I429 HydrophobicContact CD2-CG2 4.49Å; F163-I429 HydrophobicContact CE1-CB 3.84Å; F163-I429 HydrophobicContact CE1-CG2 3.36Å; F163-I429 WeakPolarHBondContact CE1-O 3.44Å; F163-I429 HydrophobicContact CG-CG2 3.86Å; F163-I429 HydrophobicContact CZ-CB 4.12Å; F163-I429 HydrophobicContact CZ-CG2 4.06Å; F163-Y430 WeakPolarHBondContact CD1-O 3.34Å; F163-Y430 WeakPolarHBondContact CE1-O 3.48Å; F163-R431 HydrophobicContact CD1-CG 4.24Å; F163-R431 VanDerWaalsContact CE1-CA 3.45Å; F163-R431 HydrophobicContact CE1-CB 4.02Å; F163-R431 HydrophobicContact CE1-CG 3.36Å; F163-R431 HydrophobicContact CE2-CG 4.29Å; F163-R431 HydrophobicContact CZ-CG 3.4Å; F163-R431 VanDerWaalsContact CZ-CG 3.4Å
164	N	97.7	Very high	97.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.2	C	C	.	.			trans	-73.5	91.3	172.8	-178.2	-11.3	0	0	0	109.6	V154 V166 A167 S168 G323 N324 Y326	V154-N164 HydrophobicContact CG1-CB 4.22Å; N164-V166 VanDerWaalsContact C-N 3.29Å; N164-V166 PolarHBondContact O-N 2.59Å; N164-V166 PolarHBondContact OD1-N 3.22Å; N164-A167 HydrophobicContact CB-CB 4.34Å; N164-A167 PolarHBondContact OD1-N 3.33Å; N164-S168 PolarHBondContact O-N 2.89Å; N164-G323 WeakPolarHBondContact CB-O 3.37Å; N164-G323 PolarHBondContact N-O 2.92Å; N164-N324 PolarHBondContact ND2-O 3.06Å; N164-N324 PolarHBondContact ND2-OD1 3.12Å; N164-Y326 HydrophobicContact CB-CE2 4.43Å; N164-Y326 VanDerWaalsContact O-CE2 3.23Å; N164-Y326 WeakPolarHBondContact O-CE2 3.47Å; N164-Y326 PolarHBondContact O-OH 2.92Å
165	M	98.1	Very high	97.3	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-71.4	-26.9	179.8	-66.4	-60	-57.4	0	0	112.3	S157 F161 F163 A167 S168 D169 G207 S209 T210	S157-M165 PolarHBondContact OG-N 3.38Å; F161-M165 HydrophobicContact CB-CG 3.84Å; F161-M165 HydrophobicContact CB-SD 4.22Å; F161-M165 HydrophobicContact CD2-CB 4.47Å; F161-M165 HydrophobicContact CD2-CG 3.46Å; F161-M165 VanDerWaalsContact CD2-CG 3.46Å; F161-M165 HydrophobicContact CE2-CG 4.19Å; F161-M165 HydrophobicContact CG-CG 3.75Å; F161-M165 HydrophobicContact CG-SD 4.31Å; F163-M165 PolarHBondContact O-N 3.32Å; M165-A167 VanDerWaalsContact C-N 3.32Å; M165-A167 PolarHBondContact O-N 3.34Å; M165-S168 VanDerWaalsContact O-CB 3.28Å; M165-S168 WeakPolarHBondContact O-CB 3.02Å; M165-S168 PolarHBondContact O-N 2.64Å; M165-D169 VanDerWaalsContact O-CB 3.3Å; M165-D169 WeakPolarHBondContact O-CB 3.09Å; M165-D169 PolarHBondContact O-N 3.05Å; M165-G207 VanDerWaalsContact CE-CA 3.48Å; M165-S209 WeakPolarHBondContact CE-OG 3.32Å; M165-T210 HydrophobicContact CE-CG2 4.5Å; M165-T210 HydrophobicContact SD-CG2 4.15Å
166	V	98.1	Very high	97.3	Very high	26 Å²	26	32.3 Å²	32.3	16%	0.158	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-45.9	177.6	-175	0	0	0	0	110.2	L146 Y150 V154 N164 M170	L146-V166 HydrophobicContact CD1-CB 3.87Å; L146-V166 HydrophobicContact CD1-CG1 3.65Å; Y150-V166 HydrophobicContact CD1-CG1 3.79Å; Y150-V166 HydrophobicContact CE1-CG1 4.41Å; Y150-V166 HydrophobicContact CG-CG1 4.34Å; V154-V166 HydrophobicContact CG2-CB 4.21Å; V154-V166 HydrophobicContact CG2-CG2 4.25Å; N164-V166 VanDerWaalsContact C-N 3.29Å; N164-V166 PolarHBondContact O-N 2.59Å; N164-V166 PolarHBondContact OD1-N 3.22Å; V166-M170 HydrophobicContact CG1-CE 3.92Å; V166-M170 WeakPolarHBondContact O-CG 3.46Å
167	A	98.1	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-46.8	174	0	0	0	0	0	111.2	F144 L146 N164 M165 D169 M170 I171 Y326	F144-A167 HydrophobicContact CD1-CB 3.88Å; F144-A167 HydrophobicContact CE1-CB 4.32Å; L146-A167 HydrophobicContact CD1-CB 3.97Å; L146-A167 HydrophobicContact CG-CB 4.38Å; N164-A167 HydrophobicContact CB-CB 4.34Å; N164-A167 PolarHBondContact OD1-N 3.33Å; M165-A167 VanDerWaalsContact C-N 3.32Å; M165-A167 PolarHBondContact O-N 3.34Å; A167-D169 VanDerWaalsContact C-N 3.27Å; A167-D169 PolarHBondContact O-N 2.97Å; A167-M170 PolarHBondContact O-N 3.07Å; A167-M170 VanDerWaalsContact O-N 3.16Å; A167-I171 WeakPolarHBondContact O-CG1 3.36Å; A167-I171 PolarHBondContact O-N 3.39Å; A167-Y326 HydrophobicContact CB-CD2 3.98Å; A167-Y326 HydrophobicContact CB-CE2 3.81Å
168	S	98.4	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-51.7	-43.4	178.6	-166.5	0	0	0	0	114.2	N164 M165 M170 I171 S209 T210 R213 Y326	N164-S168 PolarHBondContact O-N 2.89Å; M165-S168 VanDerWaalsContact O-CB 3.28Å; M165-S168 WeakPolarHBondContact O-CB 3.02Å; M165-S168 PolarHBondContact O-N 2.64Å; S168-M170 VanDerWaalsContact C-N 3.3Å; S168-I171 PolarHBondContact O-N 3.4Å; S168-S209 VanDerWaalsContact CB-OG 3.26Å; S168-S209 WeakPolarHBondContact CB-OG 3.49Å; S168-S209 WeakPolarHBondContact OG-CB 3.33Å; S168-S209 PolarHBondContact OG-OG 3.3Å; S168-T210 WeakPolarHBondContact OG-CG2 3.49Å; S168-R213 PolarHBondContact O-NH1 3.11Å; S168-R213 PolarHBondContact O-NH2 2.89Å; S168-R213 PolarHBondContact OG-NH2 3.03Å; S168-Y326 VanDerWaalsContact CB-OH 3.23Å; S168-Y326 WeakPolarHBondContact CB-OH 3.17Å
169	D	98.3	Very high	97.1	Very high	100 Å²	100	33.5 Å²	33.5	54%	0.535	17%	0.174	S	C	.	.	H	α-helix	trans	-74.3	-22.6	-173.5	-71.8	-12.2	0	0	0	112.2	M165 A167 S209	M165-D169 VanDerWaalsContact O-CB 3.3Å; M165-D169 WeakPolarHBondContact O-CB 3.09Å; M165-D169 PolarHBondContact O-N 3.05Å; A167-D169 VanDerWaalsContact C-N 3.27Å; A167-D169 PolarHBondContact O-N 2.97Å; D169-S209 WeakPolarHBondContact OD1-CB 3.41Å; D169-S209 PolarHBondContact OD1-OG 3.47Å
170	M	98.1	Very high	97	Very high	81 Å²	81	30.1 Å²	30.1	40%	0.399	16%	0.161	S	C	.	.	H	α-helix	trans	-87.3	-21.6	175.3	-63.2	-179.2	-173.3	0	0	112.7	P137 F144 L146 Y150 V166 A167 S168	P137-M170 HydrophobicContact CG-CB 4.48Å; P137-M170 WeakPolarHBondContact CG-O 3.36Å; F144-M170 HydrophobicContact CE1-CB 3.72Å; F144-M170 HydrophobicContact CE1-CG 4.33Å; F144-M170 HydrophobicContact CE1-SD 3.82Å; F144-M170 HydrophobicContact CZ-CB 4.15Å; F144-M170 HydrophobicContact CZ-SD 3.77Å; L146-M170 HydrophobicContact CD2-SD 3.95Å; Y150-M170 HydrophobicContact CE1-CE 3.89Å; V166-M170 HydrophobicContact CG1-CE 3.92Å; V166-M170 WeakPolarHBondContact O-CG 3.46Å; A167-M170 PolarHBondContact O-N 3.07Å; A167-M170 VanDerWaalsContact O-N 3.16Å; S168-M170 VanDerWaalsContact C-N 3.3Å
171	I	98.5	Very high	97.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.144	C	C	.	.	S	Bend	trans	-79.9	132.7	177.5	-65.3	168.3	0	0	0	109.5	P137 F144 A167 S168 L173 R175 R213 Y326	P137-I171 HydrophobicContact CB-CG1 4.49Å; F144-I171 HydrophobicContact CB-CD1 4.23Å; F144-I171 HydrophobicContact CD1-CD1 4.23Å; F144-I171 HydrophobicContact CD1-CG1 4.06Å; A167-I171 WeakPolarHBondContact O-CG1 3.36Å; A167-I171 PolarHBondContact O-N 3.39Å; S168-I171 PolarHBondContact O-N 3.4Å; I171-L173 PolarHBondContact O-N 2.87Å; I171-R175 HydrophobicContact CG2-CB 4.14Å; I171-R175 VanDerWaalsContact CG2-CD 3.48Å; I171-R175 HydrophobicContact CG2-CG 3.92Å; I171-R213 PolarHBondContact O-NH1 2.88Å; I171-Y326 HydrophobicContact CD1-CD1 4.31Å; I171-Y326 HydrophobicContact CD1-CD2 3.79Å; I171-Y326 HydrophobicContact CD1-CG 3.61Å
172	S	98.4	Very high	97.1	Very high	23 Å²	23	27.9 Å²	27.9	16%	0.161	15%	0.15	C	C	.	.			trans	-54.4	139.7	178.7	-176	0	0	0	0	112.1	D174 R175 R213	S172-D174 PolarHBondContact O-N 3.43Å; S172-D174 PolarHBondContact OG-N 3.2Å; S172-R175 WeakPolarHBondContact O-CB 3.05Å; S172-R175 PolarHBondContact O-N 3.01Å; S172-R213 WeakPolarHBondContact O-CD 3.19Å
173	L	98.5	Very high	97.1	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.173	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26	171.4	-58.6	179.6	0	0	0	111.7	I171 S209 M212 R213 H216 Y249	I171-L173 PolarHBondContact O-N 2.87Å; L173-S209 WeakPolarHBondContact CD2-O 3.29Å; L173-M212 HydrophobicContact CD1-CB 3.92Å; L173-M212 HydrophobicContact CD2-CB 4.09Å; L173-R213 HydrophobicContact CD2-CB 4.06Å; L173-H216 HydrophobicContact CB-CB 4.37Å; L173-H216 VanDerWaalsContact O-CB 3.32Å; L173-H216 WeakPolarHBondContact O-CB 3.17Å; L173-Y249 WeakPolarHBondContact CD1-OH 3.13Å
174	D	98.1	Very high	97.2	Very high	62 Å²	62	33.6 Å²	33.6	33%	0.332	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	22.5	178.5	-65.5	-56.7	0	0	0	112.3	S172 H216 K220	S172-D174 PolarHBondContact O-N 3.43Å; S172-D174 PolarHBondContact OG-N 3.2Å; D174-H216 VanDerWaalsContact CG-ND1 3.29Å; D174-H216 IonicContact OD1-CE1 3.7Å; D174-H216 IonicContact OD1-CG 3.6Å; D174-H216 IonicContact OD1-ND1 2.84Å; D174-H216 PolarHBondContact OD1-ND1 3.43Å; D174-H216 IonicContact OD2-CE1 2.63Å; D174-H216 IonicContact OD2-ND1 3.87Å; D174-H216 PolarHBondContact OD2-ND1 3.26Å; D174-K220 PolarHBondContact O-NZ 2.6Å
175	R	98.1	Very high	97.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	18%	0.179	C	C	.	.			trans	-57	146.7	-178.3	67.1	150.8	173.7	-174.4	4.6	112.4	G138 I171 S172 R221 E293 Y326	G138-R175 WeakPolarHBondContact O-CD 3.48Å; G138-R175 PolarHBondContact O-NH1 3.35Å; G138-R175 VanDerWaalsContact O-NH1 3.13Å; I171-R175 HydrophobicContact CG2-CB 4.14Å; I171-R175 VanDerWaalsContact CG2-CD 3.48Å; I171-R175 HydrophobicContact CG2-CG 3.92Å; S172-R175 WeakPolarHBondContact O-CB 3.05Å; S172-R175 PolarHBondContact O-N 3.01Å; R175-R221 PolarHBondContact O-NH2 2.98Å; R175-E293 IonicContact CZ-OE1 3.4Å; R175-E293 IonicContact CZ-OE2 3.57Å; R175-E293 IonicContact NE-OE1 3.73Å; R175-E293 PolarHBondContact NE-OE1 3.26Å; R175-E293 IonicContact NE-OE2 3.19Å; R175-E293 PolarHBondContact NE-OE2 3.26Å; R175-E293 VanDerWaalsContact NH2-CD 3.32Å; R175-E293 IonicContact NH2-OE1 2.78Å; R175-E293 PolarHBondContact NH2-OE1 2.96Å; R175-E293 IonicContact NH2-OE2 2.76Å; R175-E293 PolarHBondContact NH2-OE2 2.87Å; R175-Y326 PolarHBondContact NH1-O 2.87Å; R175-Y326 PolarHBondContact NH2-O 3.45Å
176	T	97.3	Very high	97.2	Very high	20 Å²	20	35.9 Å²	35.9	12%	0.123	19%	0.189	C	C	.	.			trans	-72.8	154.3	165.8	53.7	0	0	0	0	110.6	E129 P130 P131 E139 G140 A141	E129-T176 HydrophobicContact CB-CG2 4.16Å; E129-T176 HydrophobicContact CG-CG2 4.04Å; E129-T176 WeakPolarHBondContact O-CG2 3.35Å; P130-T176 WeakPolarHBondContact O-CG2 3.41Å; P131-T176 HydrophobicContact CB-CG2 4.44Å; E139-T176 WeakPolarHBondContact OE2-CB 3.23Å; E139-T176 PolarHBondContact OE2-N 3.17Å; E139-T176 PolarHBondContact OE2-OG1 3.16Å; G140-T176 WeakPolarHBondContact CA-O 3.29Å; G140-T176 PolarHBondContact N-O 3.13Å; G140-T176 PolarHBondContact N-OG1 3.46Å; A141-T176 PolarHBondContact N-O 3.45Å
177	I	96.3	Very high	97.2	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.072	19%	0.192	C	C	.	.			trans	-124.6	162.4	177.5	59.1	173.6	0	0	0	109.9	V294 M328	I177-V294 VanDerWaalsContact CD1-O 3.31Å; I177-V294 WeakPolarHBondContact CD1-O 3.19Å; I177-M328 HydrophobicContact CB-SD 4.39Å; I177-M328 HydrophobicContact CD1-SD 4.46Å
178	S	93.6	Very high	97.2	Very high	40 Å²	40	38 Å²	38	28%	0.28	19%	0.194	S	C	.	.			trans	-72	143.7	172.7	48.9	0	0	0	0	111.3	I180	S178-I180 PolarHBondContact O-N 3.38Å
179	D	95.6	Very high	97.2	Very high	61 Å²	61	39.6 Å²	39.6	33%	0.326	20%	0.202	S	C	.	.			trans	-86.8	98.5	170.6	-167.5	0.9	0	0	0	109.6	R181 K186 I296	D179-R181 WeakPolarHBondContact OD1-CB 3.4Å; D179-R181 WeakPolarHBondContact OD1-CG 3.4Å; D179-R181 IonicContact OD1-CZ 3.15Å; D179-R181 PolarHBondContact OD1-N 3.05Å; D179-R181 IonicContact OD1-NE 3.29Å; D179-R181 PolarHBondContact OD1-NE 3.27Å; D179-R181 IonicContact OD1-NH2 3.81Å; D179-R181 IonicContact OD2-CZ 2.68Å; D179-R181 IonicContact OD2-NE 2.66Å; D179-R181 IonicContact OD2-NH2 3.15Å; D179-R181 PolarHBondContact OD2-NH2 3.26Å; D179-K186 WeakPolarHBondContact OD2-CE 3.49Å; D179-I296 HydrophobicContact CB-CD1 4.15Å
180	I	94.1	Very high	97.2	Very high	39 Å²	39	35.5 Å²	35.5	20%	0.2	18%	0.179	C	C	.	.			trans	-99.2	13.8	179.8	59.4	170.1	0	0	0	112.9	S178 D319 M328 P330	S178-I180 PolarHBondContact O-N 3.38Å; I180-D319 HydrophobicContact CD1-CB 3.85Å; I180-D319 WeakPolarHBondContact CD1-OD2 3.47Å; I180-M328 HydrophobicContact CD1-CE 4.12Å; I180-M328 HydrophobicContact CD1-CG 4.19Å; I180-P330 HydrophobicContact CB-CG 4.42Å; I180-P330 HydrophobicContact CD1-CG 4.34Å
181	R	96.7	Very high	97.1	Very high	18 Å²	18	33.3 Å²	33.3	7%	0.068	17%	0.169	C	C	.	.	S	Bend	trans	-71.3	153.6	172.7	-62.3	175.7	-62	155	4.7	110.3	E124 D179 C185 I296 C423 R425	E124-R181 IonicContact OE1-CZ 2.84Å; E124-R181 IonicContact OE1-NH1 3.57Å; E124-R181 PolarHBondContact OE1-NH1 2.96Å; E124-R181 IonicContact OE1-NH2 3.65Å; E124-R181 IonicContact OE2-CZ 2.82Å; E124-R181 IonicContact OE2-NH1 3.53Å; E124-R181 PolarHBondContact OE2-NH1 3.46Å; E124-R181 IonicContact OE2-NH2 3.65Å; E124-R181 PolarHBondContact OE2-NH2 3.5Å; D179-R181 WeakPolarHBondContact OD1-CB 3.4Å; D179-R181 WeakPolarHBondContact OD1-CG 3.4Å; D179-R181 IonicContact OD1-CZ 3.15Å; D179-R181 PolarHBondContact OD1-N 3.05Å; D179-R181 IonicContact OD1-NE 3.29Å; D179-R181 PolarHBondContact OD1-NE 3.27Å; D179-R181 IonicContact OD1-NH2 3.81Å; D179-R181 IonicContact OD2-CZ 2.68Å; D179-R181 IonicContact OD2-NE 2.66Å; D179-R181 IonicContact OD2-NH2 3.15Å; D179-R181 PolarHBondContact OD2-NH2 3.26Å; R181-C185 HydrophobicContact CB-CB 4.06Å; R181-I296 PolarHBondContact NE-O 3.23Å; R181-I296 PolarHBondContact NH1-O 3.37Å; R181-C423 WeakPolarHBondContact CD-O 3.26Å; R181-R425 HydrophobicContact CG-CG 3.96Å
182	H	95.8	Very high	97	Very high	49 Å²	49	36.8 Å²	36.8	23%	0.227	19%	0.187	C	C	.	.			trans	-57	141.6	165.1	-68.5	93.9	0	0	0	110.1	E184 C185 D337 T367	H182-E184 PolarHBondContact O-N 3.35Å; H182-C185 WeakPolarHBondContact O-CB 3.44Å; H182-C185 PolarHBondContact O-N 3.26Å; H182-D337 PolarHBondContact CE1-O 3.38Å; H182-D337 PolarHBondContact NE2-O 2.92Å; H182-T367 HydrophobicContact CB-CG2 3.5Å
183	D	96.1	Very high	96.9	Very high	81 Å²	81	40.8 Å²	40.8	43%	0.433	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60	-33.6	-177.1	-164.3	64.2	0	0	0	112.3	C185 K186 Y187	D183-C185 PolarHBondContact O-N 2.81Å; D183-C185 VanDerWaalsContact O-N 3.07Å; D183-K186 WeakPolarHBondContact O-CB 3.49Å; D183-K186 PolarHBondContact O-N 3.18Å; D183-K186 IonicContact OD1-NZ 3.08Å; D183-K186 PolarHBondContact OD1-NZ 2.83Å; D183-Y187 WeakPolarHBondContact O-CD2 3.29Å; D183-Y187 WeakPolarHBondContact O-CE2 3.37Å; D183-Y187 VanDerWaalsContact OD2-CE2 3.27Å; D183-Y187 WeakPolarHBondContact OD2-CE2 3.19Å; D183-Y187 PolarHBondContact OD2-OH 3.43Å
184	E	96.9	Very high	96.9	Very high	40 Å²	40	39.8 Å²	39.8	19%	0.187	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-53.6	-30.6	174.8	-172.2	177.2	-109	0	0	112.6	L115 H182 K186 Y187 T366 T367	L115-E184 HydrophobicContact CD1-CG 3.58Å; L115-E184 WeakPolarHBondContact CD1-O 3.32Å; L115-E184 HydrophobicContact CD2-CG 3.73Å; L115-E184 WeakPolarHBondContact CD2-OE1 3.24Å; L115-E184 HydrophobicContact CG-CG 4.31Å; H182-E184 PolarHBondContact O-N 3.35Å; E184-K186 PolarHBondContact O-N 3.33Å; E184-K186 VanDerWaalsContact O-N 3.12Å; E184-Y187 PolarHBondContact O-N 3.12Å; E184-Y187 VanDerWaalsContact O-N 3.14Å; E184-T366 PolarHBondContact OE2-N 3.06Å; E184-T367 HydrophobicContact CB-CG2 3.83Å; E184-T367 HydrophobicContact CG-CG2 4.3Å; E184-T367 WeakPolarHBondContact CG-OG1 3.44Å; E184-T367 WeakPolarHBondContact OE2-CB 3.43Å; E184-T367 WeakPolarHBondContact OE2-CG2 3.01Å; E184-T367 PolarHBondContact OE2-N 2.87Å; E184-T367 VanDerWaalsContact OE2-N 3.09Å; E184-T367 PolarHBondContact OE2-OG1 2.75Å
185	C	98	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-59.4	-27.2	179.8	-73.8	0	0	0	0	114	R181 H182 D183 Y187 C423	R181-C185 HydrophobicContact CB-CB 4.06Å; H182-C185 WeakPolarHBondContact O-CB 3.44Å; H182-C185 PolarHBondContact O-N 3.26Å; D183-C185 PolarHBondContact O-N 2.81Å; D183-C185 VanDerWaalsContact O-N 3.07Å; C185-Y187 PolarHBondContact O-N 2.85Å; C185-C423 WeakPolarHBondContact CA-SG 3.4Å; C185-C423 HydrophobicContact CB-CB 3.68Å; C185-C423 WeakPolarHBondContact CB-SG 3.39Å; C185-C423 WeakPolarHBondContact SG-CA 3.49Å; C185-C423 WeakPolarHBondContact SG-CB 3.35Å; C185-C423 CovalentContact SG-SG 2.05Å; C185-C423 PolarHBondContact SG-SG 3.35Å
186	K	97.5	Very high	97	Very high	60 Å²	60	39 Å²	39	26%	0.261	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-76.2	-8.8	-177.5	-58.9	175.1	-170.4	157.3	0	113.5	L120 G121 E124 D179 D183 E184	L120-K186 HydrophobicContact CD1-CB 4.16Å; G121-K186 WeakPolarHBondContact CA-O 3.24Å; G121-K186 PolarHBondContact N-O 2.85Å; E124-K186 HydrophobicContact CG-CB 4.21Å; E124-K186 VanDerWaalsContact CG-O 3.32Å; E124-K186 WeakPolarHBondContact CG-O 3.4Å; D179-K186 WeakPolarHBondContact OD2-CE 3.49Å; D183-K186 WeakPolarHBondContact O-CB 3.49Å; D183-K186 PolarHBondContact O-N 3.18Å; D183-K186 IonicContact OD1-NZ 3.08Å; D183-K186 PolarHBondContact OD1-NZ 2.83Å; E184-K186 PolarHBondContact O-N 3.33Å; E184-K186 VanDerWaalsContact O-N 3.12Å
187	Y	98.2	Very high	97	Very high	59 Å²	59	38 Å²	38	23%	0.231	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-112.7	11.4	-174.7	-49.1	-74.2	0	0	0	113.5	K116 D183 E184 C185 H189	K116-Y187 PolarHBondContact N-O 2.74Å; D183-Y187 WeakPolarHBondContact O-CD2 3.29Å; D183-Y187 WeakPolarHBondContact O-CE2 3.37Å; D183-Y187 VanDerWaalsContact OD2-CE2 3.27Å; D183-Y187 WeakPolarHBondContact OD2-CE2 3.19Å; D183-Y187 PolarHBondContact OD2-OH 3.43Å; E184-Y187 PolarHBondContact O-N 3.12Å; E184-Y187 VanDerWaalsContact O-N 3.14Å; C185-Y187 PolarHBondContact O-N 2.85Å; Y187-H189 PolarHBondContact O-CD2 2.87Å
188	W	98.4	Very high	97.2	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.6	173.1	-74.6	100.9	0	0	0	111.3	P113 L115 G121 Y190 Y365 T367 E368	P113-W188 HydrophobicContact CB-CE3 3.95Å; P113-W188 HydrophobicContact CB-CZ3 4.44Å; P113-W188 HydrophobicContact CG-CE3 4.22Å; P113-W188 HydrophobicContact CG-CZ3 4.36Å; L115-W188 HydrophobicContact CB-CD2 4.07Å; L115-W188 HydrophobicContact CB-CE3 3.89Å; L115-W188 HydrophobicContact CB-CH2 3.92Å; L115-W188 HydrophobicContact CB-CZ2 4.06Å; L115-W188 HydrophobicContact CB-CZ3 3.82Å; L115-W188 HydrophobicContact CD1-CD2 3.83Å; L115-W188 HydrophobicContact CD1-CE3 4.49Å; L115-W188 HydrophobicContact CD1-CG 3.96Å; L115-W188 HydrophobicContact CD1-CZ2 4.2Å; G121-W188 VanDerWaalsContact CA-O 3.26Å; G121-W188 WeakPolarHBondContact CA-O 3.36Å; W188-Y190 HydrophobicContact CB-CD2 4.34Å; W188-Y190 HydrophobicContact CB-CE1 4.36Å; W188-Y190 HydrophobicContact CB-CE2 3.48Å; W188-Y190 VanDerWaalsContact CB-CE2 3.48Å; W188-Y190 VanDerWaalsContact CB-CZ 3.49Å; W188-Y190 WeakPolarHBondContact CB-OH 3.5Å; W188-Y365 AromaticContact CH2-CD2 3.65Å; W188-Y365 HydrophobicContact CH2-CD2 3.65Å; W188-Y365 HydrophobicContact CH2-CE2 4.23Å; W188-Y365 HydrophobicContact CH2-CG 4.36Å; W188-Y365 HydrophobicContact CZ2-CD2 4.06Å; W188-Y365 HydrophobicContact CZ2-CG 4.32Å; W188-T367 PolarHBondContact NE1-OG1 3.18Å; W188-E368 HydrophobicContact CH2-CG 3.71Å; W188-E368 HydrophobicContact CZ2-CG 3.83Å
189	H	98.4	Very high	97.4	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.162	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.7	174.1	-69.2	-103.7	0	0	0	109	P113 E114 V119 L120 N122 Y187	P113-H189 CarbonylContact C-O 3.57Å; P113-H189 WeakPolarHBondContact CA-O 3.45Å; P113-H189 WeakPolarHBondContact CB-O 3.38Å; E114-H189 PolarHBondContact N-O 3.45Å; E114-H189 PolarHBondContact O-N 3.07Å; V119-H189 PolarHBondContact O-NE2 3.42Å; V119-H189 VanDerWaalsContact O-NE2 3.12Å; L120-H189 PolarHBondContact O-CE1 3.34Å; L120-H189 PolarHBondContact O-NE2 2.59Å; N122-H189 VanDerWaalsContact OD1-CA 3.23Å; N122-H189 WeakPolarHBondContact OD1-CA 3.33Å; Y187-H189 PolarHBondContact O-CD2 2.87Å
190	Y	98.3	Very high	97.6	Very high	14 Å²	14	32.6 Å²	32.6	6%	0.055	15%	0.153	C	C	.	.			trans	-102.9	147.5	-177.9	-56.3	-91.1	0	0	0	110.2	P113 N122 F123 W188 A300 P301 A304	P113-Y190 HydrophobicContact CB-CD1 3.59Å; P113-Y190 HydrophobicContact CB-CE1 3.85Å; P113-Y190 HydrophobicContact CB-CG 4.25Å; P113-Y190 HydrophobicContact CG-CD1 4.13Å; P113-Y190 HydrophobicContact CG-CE1 4.11Å; N122-Y190 PolarHBondContact ND2-O 3.26Å; N122-Y190 PolarHBondContact OD1-N 3.06Å; F123-Y190 HydrophobicContact CB-CD2 4.49Å; F123-Y190 HydrophobicContact CD2-CD2 4.01Å; F123-Y190 HydrophobicContact CD2-CG 4.39Å; F123-Y190 HydrophobicContact CG-CD2 4.46Å; W188-Y190 HydrophobicContact CB-CD2 4.34Å; W188-Y190 HydrophobicContact CB-CE1 4.36Å; W188-Y190 HydrophobicContact CB-CE2 3.48Å; W188-Y190 VanDerWaalsContact CB-CE2 3.48Å; W188-Y190 VanDerWaalsContact CB-CZ 3.49Å; W188-Y190 WeakPolarHBondContact CB-OH 3.5Å; Y190-A300 HydrophobicContact CD1-CB 4.29Å; Y190-A300 HydrophobicContact CD2-CB 3.94Å; Y190-A300 HydrophobicContact CE2-CB 4.33Å; Y190-A300 HydrophobicContact CG-CB 3.93Å; Y190-P301 HydrophobicContact CE1-CB 4.16Å; Y190-P301 WeakPolarHBondContact OH-CB 3.3Å; Y190-A304 HydrophobicContact CD1-CB 3.89Å; Y190-A304 HydrophobicContact CE1-CB 4.33Å
191	D	97.3	Very high	97.8	Very high	35 Å²	35	30.7 Å²	30.7	19%	0.187	14%	0.143	C	C	.	.			trans	-69.1	139.5	170.8	-169.3	-38.3	0	0	0	109.7	Y110 N111 R193	Y110-D191 HydrophobicContact CD2-CB 4.18Å; Y110-D191 HydrophobicContact CE1-CB 4.49Å; Y110-D191 HydrophobicContact CE2-CB 3.64Å; Y110-D191 PolarHBondContact OH-N 2.94Å; Y110-D191 PolarHBondContact OH-O 3.07Å; N111-D191 HydrophobicContact CB-CB 4.46Å; N111-D191 PolarHBondContact ND2-OD2 3.32Å; D191-R193 PolarHBondContact O-N 3.48Å; D191-R193 WeakPolarHBondContact OD1-CB 3.46Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å; D191-R193 PolarHBondContact OD1-N 2.91Å; D191-R193 IonicContact OD1-NE 3.43Å; D191-R193 PolarHBondContact OD1-NE 3.27Å; D191-R193 VanDerWaalsContact OD1-NE 3.08Å; D191-R193 IonicContact OD2-CZ 2.83Å; D191-R193 VanDerWaalsContact OD2-CZ 3.29Å; D191-R193 IonicContact OD2-NE 3.86Å; D191-R193 PolarHBondContact OD2-NE 3.45Å; D191-R193 VanDerWaalsContact OD2-NE 3.1Å; D191-R193 IonicContact OD2-NH2 2.75Å; D191-R193 PolarHBondContact OD2-NH2 3.4Å
192	D	95.6	Very high	97.9	Very high	76 Å²	76	30.4 Å²	30.4	41%	0.406	14%	0.143	S	C	.	.	S	Bend	trans	-72.8	-7.2	-179.1	-93.8	7.4	0	0	0	113.1	F123 L194 R225 Y226	F123-D192 WeakPolarHBondContact CE2-OD1 3.39Å; D192-L194 PolarHBondContact O-N 3.46Å; D192-L194 VanDerWaalsContact O-N 3.09Å; D192-R225 IonicContact OD1-CZ 3.72Å; D192-R225 IonicContact OD1-NH2 3.97Å; D192-R225 PolarHBondContact OD1-NH2 3.22Å; D192-R225 IonicContact OD2-CZ 3.55Å; D192-R225 IonicContact OD2-NH1 2.75Å; D192-R225 PolarHBondContact OD2-NH1 3.34Å; D192-R225 IonicContact OD2-NH2 2.68Å; D192-R225 PolarHBondContact OD2-NH2 2.84Å; D192-Y226 PolarHBondContact O-OH 2.86Å
193	R	97	Very high	98	Very high	108 Å²	108	28.3 Å²	28.3	41%	0.408	13%	0.133	S	C	.	.			trans	-81.6	34.6	177.5	-63.7	176.5	-69	165.7	1.9	113.2	H108 A109 Y110 N111 D191	H108-R193 PolarHBondContact CE1-O 3.3Å; H108-R193 PolarHBondContact NE2-O 2.91Å; A109-R193 VanDerWaalsContact O-CZ 3.28Å; A109-R193 PolarHBondContact O-NH1 3.32Å; Y110-R193 HydrophobicContact CD2-CB 4.19Å; Y110-R193 WeakPolarHBondContact CD2-O 3.34Å; N111-R193 PolarHBondContact ND2-NH2 3.08Å; D191-R193 PolarHBondContact O-N 3.48Å; D191-R193 WeakPolarHBondContact OD1-CB 3.46Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å; D191-R193 PolarHBondContact OD1-N 2.91Å; D191-R193 IonicContact OD1-NE 3.43Å; D191-R193 PolarHBondContact OD1-NE 3.27Å; D191-R193 VanDerWaalsContact OD1-NE 3.08Å; D191-R193 IonicContact OD2-CZ 2.83Å; D191-R193 VanDerWaalsContact OD2-CZ 3.29Å; D191-R193 IonicContact OD2-NE 3.86Å; D191-R193 PolarHBondContact OD2-NE 3.45Å; D191-R193 VanDerWaalsContact OD2-NE 3.1Å; D191-R193 IonicContact OD2-NH2 2.75Å; D191-R193 PolarHBondContact OD2-NH2 3.4Å
194	L	98.2	Very high	98.1	Very high	11 Å²	11	26 Å²	26	6%	0.058	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-64.4	143.4	174.3	-68.2	167.5	0	0	0	110.6	Y110 F123 D192 Y226 Y299 A300 I303 A304	Y110-L194 HydrophobicContact CE2-CD2 3.77Å; Y110-L194 HydrophobicContact CE2-CG 4.13Å; Y110-L194 WeakPolarHBondContact OH-CD2 3.39Å; F123-L194 HydrophobicContact CE1-CD1 3.71Å; F123-L194 HydrophobicContact CZ-CD1 3.58Å; D192-L194 PolarHBondContact O-N 3.46Å; D192-L194 VanDerWaalsContact O-N 3.09Å; L194-Y226 HydrophobicContact CB-CD1 4.08Å; L194-Y226 HydrophobicContact CB-CE1 3.75Å; L194-Y226 HydrophobicContact CD1-CE1 4.49Å; L194-Y226 HydrophobicContact CD1-CE2 4.28Å; L194-Y299 HydrophobicContact CB-CE1 4.42Å; L194-Y299 HydrophobicContact CD1-CD1 4.28Å; L194-Y299 HydrophobicContact CD1-CE1 4.3Å; L194-A300 HydrophobicContact CD1-CB 3.78Å; L194-I303 HydrophobicContact CB-CG2 4.38Å; L194-I303 HydrophobicContact CD2-CB 4.27Å; L194-I303 HydrophobicContact CD2-CG2 4.22Å; L194-A304 HydrophobicContact CD2-CB 3.99Å
195	L	98.5	Very high	98.1	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.058	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-62.4	149	171.9	-62.8	172.5	0	0	0	110.8	Q283 V284 Y299 I303 I306 S307	L195-Q283 HydrophobicContact CB-CB 4.23Å; L195-Q283 HydrophobicContact CD2-CB 4.32Å; L195-V284 HydrophobicContact CB-CG2 3.71Å; L195-V284 HydrophobicContact CD1-CG2 3.67Å; L195-V284 HydrophobicContact CG-CG2 4.36Å; L195-Y299 PolarHBondContact O-OH 2.67Å; L195-I303 HydrophobicContact CB-CG2 4.12Å; L195-I306 HydrophobicContact CD1-CG2 4.21Å; L195-S307 PolarHBondContact N-OG 3.23Å
196	T	98.7	Very high	98.1	Very high	36 Å²	36	25.2 Å²	25.2	22%	0.221	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-79.7	152.1	172.2	58.8	0	0	0	0	111.2	Y226 Q283 V284	T196-Y226 CarbonylContact C-O 3.51Å; T196-Y226 WeakPolarHBondContact CA-O 3.33Å; T196-Q283 VanDerWaalsContact N-OE1 3.08Å; T196-Q283 PolarHBondContact O-N 2.75Å; T196-Q283 PolarHBondContact OG1-OE1 3.31Å; T196-Q283 VanDerWaalsContact OG1-OE1 3.06Å; T196-V284 PolarHBondContact O-N 3.49Å
197	S	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.3	-175.7	-58.6	0	0	0	0	114.4	Y226 A228 V284 I286 Y299	S197-Y226 PolarHBondContact N-O 3.08Å; S197-A228 WeakPolarHBondContact O-CB 3.39Å; S197-A228 PolarHBondContact O-N 3.27Å; S197-V284 CarbonylContact C-O 3.47Å; S197-V284 WeakPolarHBondContact CA-O 3.33Å; S197-I286 WeakPolarHBondContact OG-CD1 3.19Å; S197-Y299 WeakPolarHBondContact CB-OH 3.2Å; S197-Y299 PolarHBondContact N-OH 2.93Å; S197-Y299 WeakPolarHBondContact OG-CE2 3.14Å; S197-Y299 PolarHBondContact OG-OH 3Å
198	S	98.9	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.5	162	-66.4	0	0	0	0	108.5	E229 G282 V284 I286	S198-E229 WeakPolarHBondContact CA-O 3.12Å; S198-E229 WeakPolarHBondContact OG-CG 3.39Å; S198-E229 PolarHBondContact OG-OE1 3.06Å; S198-G282 WeakPolarHBondContact OG-CA 3.23Å; S198-G282 PolarHBondContact OG-N 3.49Å; S198-V284 PolarHBondContact N-O 3.24Å; S198-I286 PolarHBondContact O-N 3.18Å
199	V	98.9	Very high	98.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.8	177.1	-177.8	0	0	0	0	108.9	I201 V218 L227 E229 I230 V231 I286 L288	V199-I201 HydrophobicContact CG1-CG1 4.32Å; V199-V218 HydrophobicContact CB-CG1 4.38Å; V199-V218 HydrophobicContact CG1-CG1 4.39Å; V199-V218 HydrophobicContact CG1-CG2 4.36Å; V199-V218 HydrophobicContact CG2-CG1 3.92Å; V199-L227 HydrophobicContact CG2-CD1 3.67Å; V199-E229 PolarHBondContact N-O 3.29Å; V199-I230 HydrophobicContact CB-CG1 4.38Å; V199-I230 CarbonylContact O-C 3.45Å; V199-I230 WeakPolarHBondContact O-CA 3.04Å; V199-V231 PolarHBondContact O-N 2.73Å; V199-I286 CarbonylContact C-O 3.51Å; V199-I286 VanDerWaalsContact CA-O 3.31Å; V199-I286 WeakPolarHBondContact CA-O 3.34Å; V199-I286 HydrophobicContact CG2-CB 4.24Å; V199-I286 HydrophobicContact CG2-CD1 4.3Å; V199-L288 HydrophobicContact CG1-CD1 3.67Å; V199-L288 HydrophobicContact CG1-CG 4.06Å
200	I	98.9	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.2	-179.2	-60.5	163	0	0	0	109	V202 V231 I233 G275 A279 L285 I286 Y287 L288	I200-V202 HydrophobicContact CG2-CG2 4.37Å; I200-V231 WeakPolarHBondContact CA-O 3.3Å; I200-V231 HydrophobicContact CG1-CB 4.28Å; I200-I233 HydrophobicContact CG2-CG1 4.24Å; I200-G275 VanDerWaalsContact CD1-C 3.49Å; I200-A279 HydrophobicContact CD1-CB 3.87Å; I200-A279 HydrophobicContact CG1-CB 4Å; I200-L285 HydrophobicContact CD1-CB 4.3Å; I200-L285 HydrophobicContact CD1-CD1 4.34Å; I200-L285 HydrophobicContact CD1-CD2 3.96Å; I200-L285 HydrophobicContact CD1-CG 4.42Å; I200-I286 PolarHBondContact N-O 2.92Å; I200-Y287 HydrophobicContact CB-CD1 3.93Å; I200-Y287 HydrophobicContact CB-CE1 3.86Å; I200-Y287 HydrophobicContact CD1-CE1 3.81Å; I200-Y287 HydrophobicContact CD1-CE2 4.18Å; I200-Y287 HydrophobicContact CG1-CE1 4.46Å; I200-Y287 HydrophobicContact CG2-CD1 3.97Å; I200-Y287 HydrophobicContact CG2-CE1 3.67Å; I200-L288 PolarHBondContact O-N 2.78Å; I200-L288 VanDerWaalsContact O-N 3.1Å
201	I	98.9	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	110.9	176.5	-58.7	167.3	0	0	0	107.9	V199 L211 T214 V215 I230 V231 L232 I233 L288 A290	V199-I201 HydrophobicContact CG1-CG1 4.32Å; I201-L211 HydrophobicContact CG2-CD1 4.09Å; I201-T214 HydrophobicContact CD1-CG2 3.88Å; I201-V215 HydrophobicContact CD1-CG2 4.07Å; I201-I230 HydrophobicContact CD1-CG2 4.04Å; I201-V231 PolarHBondContact N-O 2.65Å; I201-L232 HydrophobicContact CB-CD2 3.81Å; I201-L232 HydrophobicContact CD1-CD2 3.97Å; I201-L232 HydrophobicContact CG1-CD2 4.37Å; I201-L232 HydrophobicContact CG2-CD2 4.37Å; I201-L232 WeakPolarHBondContact O-CA 3.14Å; I201-I233 PolarHBondContact O-N 2.87Å; I201-L288 HydrophobicContact CG1-CB 4.24Å; I201-A290 HydrophobicContact CG2-CB 3.79Å
202	V	98.7	Very high	98.2	Very high	11 Å²	11	16.8 Å²	16.8	7%	0.067	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.2	173.8	177.2	0	0	0	0	108.6	I200 I233 D235 L268 A271 R272	I200-V202 HydrophobicContact CG2-CG2 4.37Å; V202-I233 HydrophobicContact CG2-CB 4.13Å; V202-I233 HydrophobicContact CG2-CG1 4.48Å; V202-D235 HydrophobicContact CG1-CB 4.46Å; V202-L268 HydrophobicContact CB-CD1 4.16Å; V202-L268 HydrophobicContact CG1-CD1 3.99Å; V202-A271 HydrophobicContact CG1-CB 3.53Å; V202-A271 HydrophobicContact CG2-CB 4.18Å; V202-R272 HydrophobicContact CG2-CB 4.41Å; V202-R272 HydrophobicContact CG2-CG 3.67Å
203	F	98.4	Very high	98.4	Very high	5 Å²	5	13.3 Å²	13.3	2%	0.022	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.1	178.4	71.4	-84.8	0	0	0	112.4	E206 L211 L232 I233 D234 D235 L242 L246 L259 A290	F203-E206 HydrophobicContact CB-CB 4.12Å; F203-L211 HydrophobicContact CB-CD1 4.15Å; F203-L211 HydrophobicContact CD1-CD1 4.22Å; F203-L211 HydrophobicContact CD1-CD2 4.46Å; F203-L211 HydrophobicContact CD2-CD2 4.17Å; F203-L211 HydrophobicContact CE2-CD2 4.29Å; F203-L211 HydrophobicContact CG-CD1 4.17Å; F203-L211 HydrophobicContact CG-CD2 4.24Å; F203-L211 HydrophobicContact CZ-CD2 4.47Å; F203-L232 HydrophobicContact CE1-CB 3.97Å; F203-I233 VanDerWaalsContact CD1-O 3.31Å; F203-I233 WeakPolarHBondContact CD1-O 3.22Å; F203-I233 PolarHBondContact N-O 2.97Å; F203-D234 HydrophobicContact CE1-CB 3.91Å; F203-D234 HydrophobicContact CE2-CB 3.9Å; F203-D234 HydrophobicContact CZ-CB 3.43Å; F203-D234 VanDerWaalsContact CZ-CB 3.43Å; F203-D235 PolarHBondContact O-N 2.83Å; F203-L242 HydrophobicContact CD2-CD1 4.04Å; F203-L242 HydrophobicContact CD2-CD2 4.23Å; F203-L242 HydrophobicContact CE2-CB 4.11Å; F203-L242 HydrophobicContact CE2-CD1 3.95Å; F203-L242 HydrophobicContact CE2-CD2 3.89Å; F203-L242 HydrophobicContact CE2-CG 4.19Å; F203-L246 HydrophobicContact CE1-CD2 4.4Å; F203-L246 HydrophobicContact CE2-CD2 4.26Å; F203-L246 HydrophobicContact CZ-CD2 3.65Å; F203-L259 HydrophobicContact CE1-CD1 3.8Å; F203-L259 HydrophobicContact CZ-CD1 3.82Å; F203-A290 HydrophobicContact CB-CB 3.67Å
204	H	97.2	Very high	98.5	Very high	34 Å²	34	8.1 Å²	8.1	16%	0.157	4%	0.042	C	C	.	.	S	Bend	trans	-144.5	116.5	171.2	178.8	81.9	0	0	0	109.1	E206 D235 F236 S237	H204-E206 PolarHBondContact O-N 3.39Å; H204-E206 VanDerWaalsContact O-N 3.16Å; H204-D235 HydrophobicContact CB-CB 4.44Å; H204-D235 PolarHBondContact ND1-O 2.64Å; H204-F236 PolarHBondContact CE1-O 3.23Å; H204-F236 VanDerWaalsContact CE1-O 3.23Å; H204-F236 PolarHBondContact ND1-O 3.04Å; H204-S237 WeakPolarHBondContact CA-OG 3.39Å
205	N	97	Very high	98.5	Very high	16 Å²	16	7.6 Å²	7.6	9%	0.086	4%	0.039	C	C	.	.	S	Bend	trans	54.2	30	-179.3	-66	-19	0	0	0	114.7	S237 N238 K239	N205-S237 PolarHBondContact N-OG 3.18Å; N205-S237 VanDerWaalsContact OD1-CA 3.28Å; N205-S237 WeakPolarHBondContact OD1-CA 3.29Å; N205-S237 WeakPolarHBondContact OD1-CB 3.32Å; N205-N238 PolarHBondContact ND2-OD1 2.79Å; N205-N238 PolarHBondContact OD1-N 3.17Å; N205-N238 PolarHBondContact OD1-OD1 3.44Å; N205-K239 HydrophobicContact CB-CG 3.93Å
206	E	98.1	Very high	98.5	Very high	7 Å²	7	7.8 Å²	7.8	3%	0.033	4%	0.039	C	C	.	.			trans	-66.5	150.7	-179.6	-163.5	60.4	-104.1	0	0	112.4	F203 H204 T210 L211 H241 A290 H291	F203-E206 HydrophobicContact CB-CB 4.12Å; H204-E206 PolarHBondContact O-N 3.39Å; H204-E206 VanDerWaalsContact O-N 3.16Å; E206-T210 PolarHBondContact OE1-OG1 2.91Å; E206-L211 HydrophobicContact CB-CB 4.32Å; E206-L211 HydrophobicContact CG-CB 3.92Å; E206-H241 PolarHBondContact O-NE2 3.24Å; E206-A290 HydrophobicContact CB-CB 4.36Å; E206-A290 HydrophobicContact CG-CB 3.77Å; E206-H291 VanDerWaalsContact CD-ND1 3.34Å; E206-H291 IonicContact OE1-ND1 2.87Å; E206-H291 IonicContact OE2-CE1 2.87Å; E206-H291 PolarHBondContact OE2-CE1 3.49Å; E206-H291 IonicContact OE2-CG 2.68Å; E206-H291 IonicContact OE2-ND1 3.84Å; E206-H291 PolarHBondContact OE2-ND1 3.41Å
207	G	97.8	Very high	98.5	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.01	3%	0.03	C	C	.	.			trans	-60.4	143.6	170.3	0	0	0	0	0	111.8	M165 T210 L211	M165-G207 VanDerWaalsContact CE-CA 3.48Å; G207-T210 PolarHBondContact O-OG1 3.24Å; G207-T210 VanDerWaalsContact O-OG1 3.1Å; G207-L211 WeakPolarHBondContact O-CB 3.33Å; G207-L211 PolarHBondContact O-N 3.25Å; G207-L211 VanDerWaalsContact O-N 3.12Å
208	W	98.6	Very high	98.5	Very high	31 Å²	31	6.2 Å²	6.2	12%	0.117	3%	0.03	C	C	.	.	H	α-helix	trans	-61.1	-52.4	-178.4	173.9	-89.5	0	0	0	112.1	M212 H241 R245 L246 Y249	W208-M212 HydrophobicContact CD2-CG 4.17Å; W208-M212 HydrophobicContact CH2-CG 4.46Å; W208-M212 HydrophobicContact CZ2-CG 3.97Å; W208-M212 HydrophobicContact CZ2-SD 4.47Å; W208-M212 WeakPolarHBondContact O-CB 2.82Å; W208-M212 WeakPolarHBondContact O-CG 3.1Å; W208-M212 PolarHBondContact O-N 3.26Å; W208-H241 HydrophobicContact CE3-CB 4.15Å; W208-H241 VanDerWaalsContact CZ3-O 3.28Å; W208-H241 WeakPolarHBondContact CZ3-O 3.35Å; W208-R245 HydrophobicContact CE3-CG 4.44Å; W208-R245 HydrophobicContact CH2-CG 3.69Å; W208-R245 HydrophobicContact CZ2-CG 4.43Å; W208-R245 HydrophobicContact CZ3-CB 4.32Å; W208-R245 HydrophobicContact CZ3-CG 3.7Å; W208-L246 HydrophobicContact CZ3-CB 4.11Å; W208-L246 HydrophobicContact CZ3-CD1 4.29Å; W208-Y249 HydrophobicContact CH2-CD1 4.06Å; W208-Y249 HydrophobicContact CH2-CD2 4.34Å; W208-Y249 AromaticContact CH2-CG 3.76Å; W208-Y249 HydrophobicContact CH2-CG 3.76Å; W208-Y249 AromaticContact CZ2-CD1 3.87Å; W208-Y249 HydrophobicContact CZ2-CD1 3.87Å; W208-Y249 AromaticContact CZ2-CD2 3.9Å; W208-Y249 HydrophobicContact CZ2-CD2 3.9Å; W208-Y249 HydrophobicContact CZ2-CE1 4.24Å; W208-Y249 HydrophobicContact CZ2-CE2 4.29Å; W208-Y249 AromaticContact CZ2-CG 3.67Å; W208-Y249 HydrophobicContact CZ2-CG 3.67Å
209	S	98.6	Very high	98.5	Very high	4 Å²	4	8.2 Å²	8.2	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-67.7	-36.8	-175	48.5	0	0	0	0	112.6	M165 S168 D169 L173 R213	M165-S209 WeakPolarHBondContact CE-OG 3.32Å; S168-S209 VanDerWaalsContact CB-OG 3.26Å; S168-S209 WeakPolarHBondContact CB-OG 3.49Å; S168-S209 WeakPolarHBondContact OG-CB 3.33Å; S168-S209 PolarHBondContact OG-OG 3.3Å; D169-S209 WeakPolarHBondContact OD1-CB 3.41Å; D169-S209 PolarHBondContact OD1-OG 3.47Å; L173-S209 WeakPolarHBondContact CD2-O 3.29Å; S209-R213 WeakPolarHBondContact O-CB 3.08Å; S209-R213 PolarHBondContact O-N 2.97Å
210	T	98.5	Very high	98.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-68.6	-46.7	176.8	52.3	0	0	0	0	112	M165 S168 E206 G207 M212 R213 T214 A290 I429	M165-T210 HydrophobicContact CE-CG2 4.5Å; M165-T210 HydrophobicContact SD-CG2 4.15Å; S168-T210 WeakPolarHBondContact OG-CG2 3.49Å; E206-T210 PolarHBondContact OE1-OG1 2.91Å; G207-T210 PolarHBondContact O-OG1 3.24Å; G207-T210 VanDerWaalsContact O-OG1 3.1Å; T210-M212 PolarHBondContact O-N 3.45Å; T210-R213 PolarHBondContact O-N 2.89Å; T210-T214 PolarHBondContact O-N 2.92Å; T210-T214 PolarHBondContact O-OG1 3.16Å; T210-A290 CarbonylContact C-O 3.39Å; T210-I429 HydrophobicContact CG2-CD1 3.64Å
211	L	98.8	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.4	-49.2	175.6	178.4	64.7	0	0	0	111.4	I201 F203 E206 G207 T214 V215 L242 L246 A290	I201-L211 HydrophobicContact CG2-CD1 4.09Å; F203-L211 HydrophobicContact CB-CD1 4.15Å; F203-L211 HydrophobicContact CD1-CD1 4.22Å; F203-L211 HydrophobicContact CD1-CD2 4.46Å; F203-L211 HydrophobicContact CD2-CD2 4.17Å; F203-L211 HydrophobicContact CE2-CD2 4.29Å; F203-L211 HydrophobicContact CG-CD1 4.17Å; F203-L211 HydrophobicContact CG-CD2 4.24Å; F203-L211 HydrophobicContact CZ-CD2 4.47Å; E206-L211 HydrophobicContact CB-CB 4.32Å; E206-L211 HydrophobicContact CG-CB 3.92Å; G207-L211 WeakPolarHBondContact O-CB 3.33Å; G207-L211 PolarHBondContact O-N 3.25Å; G207-L211 VanDerWaalsContact O-N 3.12Å; L211-T214 WeakPolarHBondContact O-CB 3.42Å; L211-T214 PolarHBondContact O-N 2.91Å; L211-V215 PolarHBondContact O-N 3.27Å; L211-L242 HydrophobicContact CD2-CD2 3.67Å; L211-L246 HydrophobicContact CD2-CD1 4.48Å; L211-L246 HydrophobicContact CD2-CD2 4.31Å; L211-A290 WeakPolarHBondContact CA-O 3.47Å; L211-A290 HydrophobicContact CD1-CB 3.8Å; L211-A290 PolarHBondContact N-O 2.8Å
212	M	98.8	Very high	98.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-71	-36.6	-178.2	-66.6	-63.2	95	0	0	112.4	L173 W208 T210 T214 V215 H216 L232 L246 Y249	L173-M212 HydrophobicContact CD1-CB 3.92Å; L173-M212 HydrophobicContact CD2-CB 4.09Å; W208-M212 HydrophobicContact CD2-CG 4.17Å; W208-M212 HydrophobicContact CH2-CG 4.46Å; W208-M212 HydrophobicContact CZ2-CG 3.97Å; W208-M212 HydrophobicContact CZ2-SD 4.47Å; W208-M212 WeakPolarHBondContact O-CB 2.82Å; W208-M212 WeakPolarHBondContact O-CG 3.1Å; W208-M212 PolarHBondContact O-N 3.26Å; T210-M212 PolarHBondContact O-N 3.45Å; M212-T214 PolarHBondContact O-N 3.12Å; M212-V215 HydrophobicContact CE-CG2 4.05Å; M212-V215 PolarHBondContact O-N 3.3Å; M212-V215 VanDerWaalsContact O-N 3.13Å; M212-H216 WeakPolarHBondContact O-CB 3.3Å; M212-H216 PolarHBondContact O-CD2 2.95Å; M212-H216 PolarHBondContact O-N 3.44Å; M212-L232 HydrophobicContact CE-CD1 4.44Å; M212-L246 HydrophobicContact CE-CD1 3.41Å; M212-L246 VanDerWaalsContact CE-CD1 3.41Å; M212-L246 HydrophobicContact SD-CD1 3.99Å; M212-Y249 HydrophobicContact CB-CE1 4.42Å; M212-Y249 HydrophobicContact CG-CD1 4.27Å; M212-Y249 HydrophobicContact CG-CE1 3.97Å; M212-Y249 HydrophobicContact SD-CD1 3.41Å; M212-Y249 WeakPolarHBondContact SD-CD1 3.1Å; M212-Y249 HydrophobicContact SD-CE1 3.47Å; M212-Y249 WeakPolarHBondContact SD-CE1 3.49Å
213	R	98.8	Very high	98.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-63.7	-33	174.7	-177.4	155.1	49	-113.7	-9.2	111.9	S168 I171 S172 L173 S209 T210 S217 E293	S168-R213 PolarHBondContact O-NH1 3.11Å; S168-R213 PolarHBondContact O-NH2 2.89Å; S168-R213 PolarHBondContact OG-NH2 3.03Å; I171-R213 PolarHBondContact O-NH1 2.88Å; S172-R213 WeakPolarHBondContact O-CD 3.19Å; L173-R213 HydrophobicContact CD2-CB 4.06Å; S209-R213 WeakPolarHBondContact O-CB 3.08Å; S209-R213 PolarHBondContact O-N 2.97Å; T210-R213 PolarHBondContact O-N 2.89Å; R213-S217 VanDerWaalsContact O-CB 3.29Å; R213-S217 WeakPolarHBondContact O-CB 3.21Å; R213-S217 PolarHBondContact O-N 3.47Å; R213-S217 PolarHBondContact O-OG 2.85Å; R213-E293 WeakPolarHBondContact CD-OE1 3.26Å; R213-E293 HydrophobicContact CG-CG 3.99Å; R213-E293 IonicContact NE-OE1 3.56Å; R213-E293 PolarHBondContact NE-OE1 3.49Å
214	T	98.9	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-52.9	169.6	-51.4	0	0	0	0	111.3	I201 T210 L211 M212 H216 S217 V218 A290 H291 C292	I201-T214 HydrophobicContact CD1-CG2 3.88Å; T210-T214 PolarHBondContact O-N 2.92Å; T210-T214 PolarHBondContact O-OG1 3.16Å; L211-T214 WeakPolarHBondContact O-CB 3.42Å; L211-T214 PolarHBondContact O-N 2.91Å; M212-T214 PolarHBondContact O-N 3.12Å; T214-H216 PolarHBondContact O-N 3.27Å; T214-S217 PolarHBondContact O-N 3.24Å; T214-S217 PolarHBondContact O-OG 3.32Å; T214-V218 WeakPolarHBondContact O-CG2 3.36Å; T214-V218 PolarHBondContact O-N 2.86Å; T214-A290 VanDerWaalsContact OG1-C 3.3Å; T214-A290 PolarHBondContact OG1-O 3Å; T214-A290 VanDerWaalsContact OG1-O 3.11Å; T214-H291 PolarHBondContact OG1-N 2.04Å; T214-C292 WeakPolarHBondContact CA-O 3.44Å; T214-C292 WeakPolarHBondContact CB-O 3.4Å; T214-C292 HydrophobicContact CG2-CB 4.05Å; T214-C292 PolarHBondContact OG1-N 3.21Å; T214-C292 PolarHBondContact OG1-O 3.14Å
215	V	98.9	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-47.7	178.7	175.6	0	0	0	0	111.7	I201 L211 M212 S217 V218 I219 I230 L232 W253 V257	I201-V215 HydrophobicContact CD1-CG2 4.07Å; L211-V215 PolarHBondContact O-N 3.27Å; M212-V215 HydrophobicContact CE-CG2 4.05Å; M212-V215 PolarHBondContact O-N 3.3Å; M212-V215 VanDerWaalsContact O-N 3.13Å; V215-S217 PolarHBondContact O-N 2.83Å; V215-V218 PolarHBondContact O-N 2.88Å; V215-I219 HydrophobicContact CG1-CD1 3.88Å; V215-I219 WeakPolarHBondContact O-CG1 3.49Å; V215-I219 PolarHBondContact O-N 3.49Å; V215-I219 VanDerWaalsContact O-N 3.12Å; V215-I230 HydrophobicContact CG1-CD1 4.23Å; V215-L232 HydrophobicContact CG2-CD1 4.41Å; V215-L232 HydrophobicContact CG2-CD2 3.86Å; V215-W253 HydrophobicContact CG1-CH2 3.88Å; V215-W253 HydrophobicContact CG1-CZ2 4.34Å; V215-W253 HydrophobicContact CG1-CZ3 4.01Å; V215-V257 HydrophobicContact CG1-CG1 4.44Å; V215-V257 HydrophobicContact CG1-CG2 4.01Å
216	H	98.8	Very high	98.3	Very high	14 Å²	14	30.6 Å²	30.6	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-45.7	178	-85	-112.9	0	0	0	111.7	L173 D174 M212 T214 V218 I219 K220 Y249 W253	L173-H216 HydrophobicContact CB-CB 4.37Å; L173-H216 VanDerWaalsContact O-CB 3.32Å; L173-H216 WeakPolarHBondContact O-CB 3.17Å; D174-H216 VanDerWaalsContact CG-ND1 3.29Å; D174-H216 IonicContact OD1-CE1 3.7Å; D174-H216 IonicContact OD1-CG 3.6Å; D174-H216 IonicContact OD1-ND1 2.84Å; D174-H216 PolarHBondContact OD1-ND1 3.43Å; D174-H216 IonicContact OD2-CE1 2.63Å; D174-H216 IonicContact OD2-ND1 3.87Å; D174-H216 PolarHBondContact OD2-ND1 3.26Å; M212-H216 WeakPolarHBondContact O-CB 3.3Å; M212-H216 PolarHBondContact O-CD2 2.95Å; M212-H216 PolarHBondContact O-N 3.44Å; T214-H216 PolarHBondContact O-N 3.27Å; H216-V218 VanDerWaalsContact C-N 3.31Å; H216-V218 PolarHBondContact O-N 3.04Å; H216-I219 PolarHBondContact O-N 2.79Å; H216-K220 VanDerWaalsContact O-CB 3.24Å; H216-K220 WeakPolarHBondContact O-CB 3.3Å; H216-K220 PolarHBondContact O-N 2.94Å; H216-Y249 AromaticContact NE2-CE1 3.89Å; H216-Y249 AromaticContact NE2-CZ 3.88Å; H216-Y249 PolarHBondContact NE2-OH 2.8Å; H216-W253 AromaticContact CD2-CH2 3.89Å; H216-W253 AromaticContact CD2-CZ2 3.68Å; H216-W253 AromaticContact NE2-CH2 3.7Å; H216-W253 AromaticContact NE2-CZ2 3.39Å; H216-W253 WeakPolarHBondContact NE2-CZ2 3.36Å
217	S	98.8	Very high	98.4	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-58.9	-42	-179.9	75.8	0	0	0	0	112.2	R213 T214 V215 K220 R221 V294	R213-S217 VanDerWaalsContact O-CB 3.29Å; R213-S217 WeakPolarHBondContact O-CB 3.21Å; R213-S217 PolarHBondContact O-N 3.47Å; R213-S217 PolarHBondContact O-OG 2.85Å; T214-S217 PolarHBondContact O-N 3.24Å; T214-S217 PolarHBondContact O-OG 3.32Å; V215-S217 PolarHBondContact O-N 2.83Å; S217-K220 PolarHBondContact O-N 2.83Å; S217-R221 WeakPolarHBondContact O-CB 3.4Å; S217-R221 PolarHBondContact O-N 3.17Å; S217-V294 VanDerWaalsContact C-CG2 3.47Å; S217-V294 VanDerWaalsContact O-CG2 3.27Å; S217-V294 WeakPolarHBondContact O-CG2 3.4Å; S217-V294 PolarHBondContact OG-N 3.46Å
218	V	98.9	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-46.1	177	173.8	0	0	0	0	111.1	V199 T214 V215 H216 K220 T222 L227 I230 L288 V294	V199-V218 HydrophobicContact CB-CG1 4.38Å; V199-V218 HydrophobicContact CG1-CG1 4.39Å; V199-V218 HydrophobicContact CG1-CG2 4.36Å; V199-V218 HydrophobicContact CG2-CG1 3.92Å; T214-V218 WeakPolarHBondContact O-CG2 3.36Å; T214-V218 PolarHBondContact O-N 2.86Å; V215-V218 PolarHBondContact O-N 2.88Å; H216-V218 VanDerWaalsContact C-N 3.31Å; H216-V218 PolarHBondContact O-N 3.04Å; V218-K220 VanDerWaalsContact C-N 3.35Å; V218-T222 WeakPolarHBondContact O-CB 3.46Å; V218-T222 PolarHBondContact O-N 2.89Å; V218-T222 VanDerWaalsContact O-N 3.12Å; V218-T222 PolarHBondContact O-OG1 3.34Å; V218-L227 HydrophobicContact CG1-CD1 4Å; V218-L227 HydrophobicContact CG1-CD2 4.17Å; V218-I230 HydrophobicContact CB-CD1 4.09Å; V218-I230 HydrophobicContact CG1-CD1 3.73Å; V218-I230 HydrophobicContact CG1-CG1 4.23Å; V218-L288 HydrophobicContact CG2-CD1 3.47Å; V218-L288 VanDerWaalsContact CG2-CD1 3.47Å; V218-V294 HydrophobicContact CG2-CG1 3.96Å; V218-V294 HydrophobicContact CG2-CG2 4.49Å
219	I	98.7	Very high	98.4	Very high	42 Å²	42	30.6 Å²	30.6	22%	0.215	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-39.6	179.8	-65.2	173.7	0	0	0	110.9	V215 H216 L227 I230 W253 L256 V257	V215-I219 HydrophobicContact CG1-CD1 3.88Å; V215-I219 WeakPolarHBondContact O-CG1 3.49Å; V215-I219 PolarHBondContact O-N 3.49Å; V215-I219 VanDerWaalsContact O-N 3.12Å; H216-I219 PolarHBondContact O-N 2.79Å; I219-L227 HydrophobicContact CG1-CD2 4.43Å; I219-I230 HydrophobicContact CD1-CD1 4.01Å; I219-I230 HydrophobicContact CG1-CD1 3.53Å; I219-W253 HydrophobicContact CD1-CD2 3.77Å; I219-W253 HydrophobicContact CD1-CG 3.83Å; I219-W253 HydrophobicContact CD1-CZ2 4.06Å; I219-L256 HydrophobicContact CD1-CD2 4.48Å; I219-L256 HydrophobicContact CG1-CD2 4.37Å; I219-V257 HydrophobicContact CD1-CG2 3.94Å
220	K	98.1	Very high	98.4	Very high	67 Å²	67	30.4 Å²	30.4	29%	0.291	14%	0.138	S	C	.	.	H	α-helix	trans	-69.3	-38.9	-177.2	-168.1	179.4	-170.6	-167.1	0	112.1	E129 P130 D174 H216 S217 V218	E129-K220 VanDerWaalsContact CD-CE 3.49Å; E129-K220 WeakPolarHBondContact OE1-CE 3.31Å; E129-K220 IonicContact OE1-NZ 3.1Å; E129-K220 PolarHBondContact OE1-NZ 2.9Å; P130-K220 PolarHBondContact O-NZ 3.4Å; P130-K220 VanDerWaalsContact O-NZ 3.1Å; D174-K220 PolarHBondContact O-NZ 2.6Å; H216-K220 VanDerWaalsContact O-CB 3.24Å; H216-K220 WeakPolarHBondContact O-CB 3.3Å; H216-K220 PolarHBondContact O-N 2.94Å; S217-K220 PolarHBondContact O-N 2.83Å; V218-K220 VanDerWaalsContact C-N 3.35Å
221	R	98.1	Very high	98.4	Very high	25 Å²	25	30.3 Å²	30.3	9%	0.094	14%	0.138	C	C	.	.	H	α-helix	trans	-111.7	4.3	-168.6	-61.4	-178.1	-173	110.6	12.7	115.4	E129 R175 S217 V294	E129-R221 IonicContact OE1-CZ 4Å; E129-R221 IonicContact OE1-NE 3.94Å; E129-R221 IonicContact OE1-NH2 3.29Å; E129-R221 PolarHBondContact OE1-NH2 3.17Å; E129-R221 IonicContact OE2-CZ 2.85Å; E129-R221 IonicContact OE2-NE 2.85Å; E129-R221 PolarHBondContact OE2-NE 3.39Å; E129-R221 IonicContact OE2-NH2 2.7Å; R175-R221 PolarHBondContact O-NH2 2.98Å; S217-R221 WeakPolarHBondContact O-CB 3.4Å; S217-R221 PolarHBondContact O-N 3.17Å; R221-V294 HydrophobicContact CB-CG2 4.09Å; R221-V294 VanDerWaalsContact CD-O 3.22Å; R221-V294 WeakPolarHBondContact CD-O 3.42Å; R221-V294 PolarHBondContact NH1-O 3.48Å
222	T	98.4	Very high	98.4	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.043	14%	0.138	C	C	.	.	S	Bend	trans	-109.6	128.2	172.8	-55.7	0	0	0	0	110.3	V218 R224 L227 W298 Y299	V218-T222 WeakPolarHBondContact O-CB 3.46Å; V218-T222 PolarHBondContact O-N 2.89Å; V218-T222 VanDerWaalsContact O-N 3.12Å; V218-T222 PolarHBondContact O-OG1 3.34Å; T222-R224 PolarHBondContact O-N 3.23Å; T222-L227 HydrophobicContact CG2-CB 3.93Å; T222-W298 PolarHBondContact OG1-NE1 3.33Å; T222-Y299 HydrophobicContact CG2-CD2 3.69Å; T222-Y299 HydrophobicContact CG2-CE2 4.17Å; T222-Y299 HydrophobicContact CG2-CG 4.02Å
223	A	96.5	Very high	98.5	Very high	49 Å²	49	30.3 Å²	30.3	41%	0.405	14%	0.138	S	C	.	.			trans	-63.3	129.7	177.6	0	0	0	0	0	111	R225 Y226	A223-R225 PolarHBondContact O-N 3.48Å; A223-Y226 HydrophobicContact CB-CD2 3.89Å; A223-Y226 HydrophobicContact CB-CE2 4.2Å; A223-Y226 PolarHBondContact O-N 2.04Å
224	R	96.5	Very high	98.4	Very high	235 Å²	235	30.3 Å²	30.3	89%	0.887	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.9	-170	-65.3	-177	-179.3	177.5	-0.2	114.8	T222 Y226	T222-R224 PolarHBondContact O-N 3.23Å; R224-Y226 PolarHBondContact O-N 3.41Å
225	R	97.7	Very high	98.4	Very high	144 Å²	144	30.5 Å²	30.5	54%	0.543	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.2	179.2	64.4	178.4	171.3	178.7	-0.7	113.7	D192 A223	D192-R225 IonicContact OD1-CZ 3.72Å; D192-R225 IonicContact OD1-NH2 3.97Å; D192-R225 PolarHBondContact OD1-NH2 3.22Å; D192-R225 IonicContact OD2-CZ 3.55Å; D192-R225 IonicContact OD2-NH1 2.75Å; D192-R225 PolarHBondContact OD2-NH1 3.34Å; D192-R225 IonicContact OD2-NH2 2.68Å; D192-R225 PolarHBondContact OD2-NH2 2.84Å; A223-R225 PolarHBondContact O-N 3.48Å
226	Y	98.6	Very high	98.3	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.035	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-21	-177.2	-54.8	-60	0	0	0	113.7	F123 D192 L194 T196 S197 A223 R224 A228 Y299	F123-Y226 AromaticContact CE1-CE2 3.6Å; F123-Y226 HydrophobicContact CE1-CE2 3.6Å; F123-Y226 HydrophobicContact CZ-CE2 4.07Å; D192-Y226 PolarHBondContact O-OH 2.86Å; L194-Y226 HydrophobicContact CB-CD1 4.08Å; L194-Y226 HydrophobicContact CB-CE1 3.75Å; L194-Y226 HydrophobicContact CD1-CE1 4.49Å; L194-Y226 HydrophobicContact CD1-CE2 4.28Å; T196-Y226 CarbonylContact C-O 3.51Å; T196-Y226 WeakPolarHBondContact CA-O 3.33Å; S197-Y226 PolarHBondContact N-O 3.08Å; A223-Y226 HydrophobicContact CB-CD2 3.89Å; A223-Y226 HydrophobicContact CB-CE2 4.2Å; A223-Y226 PolarHBondContact O-N 2.04Å; R224-Y226 PolarHBondContact O-N 3.41Å; Y226-A228 PolarHBondContact O-N 2.95Å; Y226-Y299 VanDerWaalsContact CB-CE1 3.41Å; Y226-Y299 VanDerWaalsContact CB-CZ 3.5Å; Y226-Y299 HydrophobicContact CD1-CE1 4.32Å; Y226-Y299 HydrophobicContact CD2-CD1 4.19Å; Y226-Y299 HydrophobicContact CD2-CE1 4.03Å; Y226-Y299 HydrophobicContact CG-CD1 4.31Å; Y226-Y299 AromaticContact CG-CE1 3.69Å; Y226-Y299 HydrophobicContact CG-CE1 3.69Å; Y226-Y299 PolarHBondContact O-OH 3.11Å
227	L	98.8	Very high	98.2	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	97.1	179.5	-174.4	61.9	0	0	0	110.3	V199 V218 I219 T222 I230 L256	V199-L227 HydrophobicContact CG2-CD1 3.67Å; V218-L227 HydrophobicContact CG1-CD1 4Å; V218-L227 HydrophobicContact CG1-CD2 4.17Å; I219-L227 HydrophobicContact CG1-CD2 4.43Å; T222-L227 HydrophobicContact CG2-CB 3.93Å; L227-I230 HydrophobicContact CD1-CG1 4.09Å; L227-I230 HydrophobicContact CD2-CD1 4.2Å; L227-I230 HydrophobicContact CD2-CG1 4.28Å; L227-I230 HydrophobicContact CG-CG1 4.49Å; L227-L256 HydrophobicContact CD2-CD2 4.19Å; L227-L256 HydrophobicContact CG-CD1 4.4Å
228	A	98.8	Very high	98.1	Very high	26 Å²	26	40.6 Å²	40.6	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-40.1	-175.8	0	0	0	0	0	112.6	S197 Y226 K281	S197-A228 WeakPolarHBondContact O-CB 3.39Å; S197-A228 PolarHBondContact O-N 3.27Å; Y226-A228 PolarHBondContact O-N 2.95Å; A228-K281 HydrophobicContact CB-CB 3.9Å
229	E	98.7	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	159.4	175.8	53.9	-171.7	167.1	0	0	111.2	S198 V199 V231 L256 K258 A279 T280 K281	S198-E229 WeakPolarHBondContact CA-O 3.12Å; S198-E229 WeakPolarHBondContact OG-CG 3.39Å; S198-E229 PolarHBondContact OG-OE1 3.06Å; V199-E229 PolarHBondContact N-O 3.29Å; E229-V231 HydrophobicContact CG-CG2 3.91Å; E229-L256 WeakPolarHBondContact CA-O 3.41Å; E229-K258 WeakPolarHBondContact OE2-CE 3.4Å; E229-K258 IonicContact OE2-NZ 2.78Å; E229-K258 PolarHBondContact OE2-NZ 2.75Å; E229-A279 WeakPolarHBondContact OE1-CA 3.48Å; E229-T280 PolarHBondContact OE1-N 2.99Å; E229-K281 HydrophobicContact CB-CD 4.23Å; E229-K281 HydrophobicContact CG-CB 4.07Å; E229-K281 HydrophobicContact CG-CD 4.33Å; E229-K281 HydrophobicContact CG-CG 4.47Å; E229-K281 WeakPolarHBondContact OE1-CB 3.41Å; E229-K281 PolarHBondContact OE1-N 2.88Å
230	I	98.9	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.6	164.3	-57.8	178.7	0	0	0	107.5	V199 I201 V215 V218 I219 L227 L232 L256 V257 K258	V199-I230 HydrophobicContact CB-CG1 4.38Å; V199-I230 CarbonylContact O-C 3.45Å; V199-I230 WeakPolarHBondContact O-CA 3.04Å; I201-I230 HydrophobicContact CD1-CG2 4.04Å; V215-I230 HydrophobicContact CG1-CD1 4.23Å; V218-I230 HydrophobicContact CB-CD1 4.09Å; V218-I230 HydrophobicContact CG1-CD1 3.73Å; V218-I230 HydrophobicContact CG1-CG1 4.23Å; I219-I230 HydrophobicContact CD1-CD1 4.01Å; I219-I230 HydrophobicContact CG1-CD1 3.53Å; L227-I230 HydrophobicContact CD1-CG1 4.09Å; L227-I230 HydrophobicContact CD2-CD1 4.2Å; L227-I230 HydrophobicContact CD2-CG1 4.28Å; L227-I230 HydrophobicContact CG-CG1 4.49Å; I230-L232 HydrophobicContact CG2-CD2 3.96Å; I230-L256 PolarHBondContact N-O 3.41Å; I230-V257 HydrophobicContact CB-CG1 4.38Å; I230-V257 HydrophobicContact CB-CG2 4.18Å; I230-V257 HydrophobicContact CD1-CG2 4.25Å; I230-V257 HydrophobicContact CG2-CG1 4.38Å; I230-V257 CarbonylContact O-C 3.56Å; I230-V257 WeakPolarHBondContact O-CA 3.31Å; I230-K258 PolarHBondContact O-N 2.82Å
231	V	98.9	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.4	-176.2	-180	0	0	0	0	108.9	V199 I200 I201 E229 I233 F260 K278 A279	V199-V231 PolarHBondContact O-N 2.73Å; I200-V231 WeakPolarHBondContact CA-O 3.3Å; I200-V231 HydrophobicContact CG1-CB 4.28Å; I201-V231 PolarHBondContact N-O 2.65Å; E229-V231 HydrophobicContact CG-CG2 3.91Å; V231-I233 HydrophobicContact CG1-CD1 3.65Å; V231-I233 HydrophobicContact CG1-CG1 4.25Å; V231-F260 HydrophobicContact CG1-CD2 3.73Å; V231-F260 HydrophobicContact CG1-CE2 3.86Å; V231-K278 HydrophobicContact CG1-CB 4.37Å; V231-A279 HydrophobicContact CG2-CB 4.07Å
232	L	98.9	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125	173.8	-52.4	-174.9	0	0	0	109.3	I201 F203 M212 V215 I230 L246 I250 V257 K258 L259 F260	I201-L232 HydrophobicContact CB-CD2 3.81Å; I201-L232 HydrophobicContact CD1-CD2 3.97Å; I201-L232 HydrophobicContact CG1-CD2 4.37Å; I201-L232 HydrophobicContact CG2-CD2 4.37Å; I201-L232 WeakPolarHBondContact O-CA 3.14Å; F203-L232 HydrophobicContact CE1-CB 3.97Å; M212-L232 HydrophobicContact CE-CD1 4.44Å; V215-L232 HydrophobicContact CG2-CD1 4.41Å; V215-L232 HydrophobicContact CG2-CD2 3.86Å; I230-L232 HydrophobicContact CG2-CD2 3.96Å; L232-L246 HydrophobicContact CD1-CD1 4.44Å; L232-I250 HydrophobicContact CD1-CG2 4.24Å; L232-V257 HydrophobicContact CD1-CG1 3.82Å; L232-V257 HydrophobicContact CG-CG1 3.95Å; L232-K258 PolarHBondContact N-O 2.86Å; L232-L259 HydrophobicContact CB-CD1 3.82Å; L232-L259 WeakPolarHBondContact O-CA 3.11Å; L232-F260 PolarHBondContact O-N 2.77Å
233	I	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107.5	176.3	-54.7	-58.9	0	0	0	108.8	I200 I201 V202 F203 V231 D235 F260 A271	I200-I233 HydrophobicContact CG2-CG1 4.24Å; I201-I233 PolarHBondContact O-N 2.87Å; V202-I233 HydrophobicContact CG2-CB 4.13Å; V202-I233 HydrophobicContact CG2-CG1 4.48Å; F203-I233 VanDerWaalsContact CD1-O 3.31Å; F203-I233 WeakPolarHBondContact CD1-O 3.22Å; F203-I233 PolarHBondContact N-O 2.97Å; V231-I233 HydrophobicContact CG1-CD1 3.65Å; V231-I233 HydrophobicContact CG1-CG1 4.25Å; I233-D235 PolarHBondContact O-N 3.5Å; I233-F260 WeakPolarHBondContact CA-O 3.45Å; I233-F260 HydrophobicContact CD1-CB 3.88Å; I233-F260 HydrophobicContact CD1-CD2 4.06Å; I233-F260 HydrophobicContact CD1-CG 4.38Å; I233-A271 HydrophobicContact CG2-CB 4.09Å
234	D	98.7	Very high	97.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	105	172.5	-179.5	10.8	0	0	0	109.5	F203 F236 S237 K243 L259 F260 R261 N262	F203-D234 HydrophobicContact CE1-CB 3.91Å; F203-D234 HydrophobicContact CE2-CB 3.9Å; F203-D234 HydrophobicContact CZ-CB 3.43Å; F203-D234 VanDerWaalsContact CZ-CB 3.43Å; D234-F236 PolarHBondContact O-N 2.81Å; D234-F236 PolarHBondContact OD1-N 2.93Å; D234-S237 WeakPolarHBondContact OD1-CA 3.41Å; D234-S237 WeakPolarHBondContact OD1-CB 3.44Å; D234-S237 PolarHBondContact OD1-N 3.06Å; D234-S237 PolarHBondContact OD1-OG 3.39Å; D234-K243 IonicContact OD2-NZ 3.92Å; D234-K243 PolarHBondContact OD2-NZ 3.31Å; D234-L259 HydrophobicContact CB-CD1 4.24Å; D234-F260 PolarHBondContact N-O 3.18Å; D234-R261 HydrophobicContact CB-CB 4.37Å; D234-R261 HydrophobicContact CB-CG 4.05Å; D234-R261 IonicContact OD2-CZ 4Å; D234-R261 IonicContact OD2-NH1 2.87Å; D234-R261 PolarHBondContact OD2-NH1 3.09Å; D234-N262 PolarHBondContact O-N 3.24Å
235	D	97.7	Very high	98	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	22%	0.224	C	C	.	.			trans	-82.1	59.5	176.7	-170.8	40.6	0	0	0	111.4	V202 F203 H204 I233 N262 E266 G267 A271	V202-D235 HydrophobicContact CG1-CB 4.46Å; F203-D235 PolarHBondContact O-N 2.83Å; H204-D235 HydrophobicContact CB-CB 4.44Å; H204-D235 PolarHBondContact ND1-O 2.64Å; I233-D235 PolarHBondContact O-N 3.5Å; D235-N262 PolarHBondContact OD1-ND2 2.89Å; D235-E266 PolarHBondContact OD1-N 2.93Å; D235-G267 PolarHBondContact OD1-N 3.44Å; D235-G267 WeakPolarHBondContact OD2-CA 3.38Å; D235-G267 PolarHBondContact OD2-N 3.41Å; D235-A271 HydrophobicContact CB-CB 4.08Å
236	F	97	Very high	98	Very high	108 Å²	108	39.4 Å²	39.4	47%	0.474	20%	0.198	S	C	.	.	S	Bend	trans	63.4	48.7	175.1	-161.3	-106.4	0	0	0	114.4	H204 D234 D263 R265	H204-F236 PolarHBondContact CE1-O 3.23Å; H204-F236 VanDerWaalsContact CE1-O 3.23Å; H204-F236 PolarHBondContact ND1-O 3.04Å; D234-F236 PolarHBondContact O-N 2.81Å; D234-F236 PolarHBondContact OD1-N 2.93Å; F236-D263 VanDerWaalsContact CE2-O 3.3Å; F236-D263 WeakPolarHBondContact CE2-O 3.46Å; F236-R265 HydrophobicContact CB-CB 3.94Å; F236-R265 HydrophobicContact CD1-CB 4.19Å; F236-R265 HydrophobicContact CG-CB 4.41Å
237	S	97.1	Very high	98	Very high	6 Å²	6	43 Å²	43	4%	0.042	22%	0.216	C	C	.	.			trans	-64.6	152.2	174.8	-57.4	0	0	0	0	112.4	H204 N205 D234 K243	H204-S237 WeakPolarHBondContact CA-OG 3.39Å; N205-S237 PolarHBondContact N-OG 3.18Å; N205-S237 VanDerWaalsContact OD1-CA 3.28Å; N205-S237 WeakPolarHBondContact OD1-CA 3.29Å; N205-S237 WeakPolarHBondContact OD1-CB 3.32Å; D234-S237 WeakPolarHBondContact OD1-CA 3.41Å; D234-S237 WeakPolarHBondContact OD1-CB 3.44Å; D234-S237 PolarHBondContact OD1-N 3.06Å; D234-S237 PolarHBondContact OD1-OG 3.39Å; S237-K243 WeakPolarHBondContact O-CE 3.48Å; S237-K243 PolarHBondContact O-NZ 3.37Å
238	N	95.4	Very high	98	Very high	116 Å²	116	48 Å²	48	62%	0.62	24%	0.238	S	C	*	.			trans	-113.7	-8.9	176	65	19.3	0	0	0	113.9	N205	N205-N238 PolarHBondContact ND2-OD1 2.79Å; N205-N238 PolarHBondContact OD1-N 3.17Å; N205-N238 PolarHBondContact OD1-OD1 3.44Å
239	K	96.1	Very high	98	Very high	52 Å²	52	49.9 Å²	49.9	23%	0.226	24%	0.24	C	C	.	.			trans	-71.3	130.9	179.1	-55	-63.2	178.9	178.7	0	111.3	E160 N205 H241 L242	E160-K239 WeakPolarHBondContact OE1-CE 3.21Å; E160-K239 IonicContact OE1-NZ 2.8Å; E160-K239 PolarHBondContact OE1-NZ 2.93Å; N205-K239 HydrophobicContact CB-CG 3.93Å; K239-H241 VanDerWaalsContact C-N 3.3Å; K239-H241 VanDerWaalsContact CB-CE1 3.44Å; K239-H241 WeakPolarHBondContact CB-CE1 3.26Å; K239-H241 PolarHBondContact O-N 3.1Å; K239-L242 HydrophobicContact CB-CD1 4.11Å; K239-L242 HydrophobicContact CB-CG 4.34Å; K239-L242 PolarHBondContact O-N 3.04Å; K239-L242 VanDerWaalsContact O-N 3.1Å
240	A	97.9	Very high	97.9	Very high	85 Å²	85	50.6 Å²	50.6	70%	0.702	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-59.9	-36.7	-174.6	0	0	0	0	0	113.3	L242 K243	A240-L242 PolarHBondContact O-N 2.85Å; A240-L242 VanDerWaalsContact O-N 3.17Å; A240-K243 PolarHBondContact O-N 3.09Å; A240-K243 VanDerWaalsContact O-N 3.08Å
241	H	97.6	Very high	97.9	Very high	40 Å²	40	56.5 Å²	56.5	19%	0.185	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-65.4	-18.3	179.6	62	-94	0	0	0	113.9	E206 W208 K239 K243	E206-H241 PolarHBondContact O-NE2 3.24Å; W208-H241 HydrophobicContact CE3-CB 4.15Å; W208-H241 VanDerWaalsContact CZ3-O 3.28Å; W208-H241 WeakPolarHBondContact CZ3-O 3.35Å; K239-H241 VanDerWaalsContact C-N 3.3Å; K239-H241 VanDerWaalsContact CB-CE1 3.44Å; K239-H241 WeakPolarHBondContact CB-CE1 3.26Å; K239-H241 PolarHBondContact O-N 3.1Å; H241-K243 VanDerWaalsContact C-N 3.33Å
242	L	98.3	Very high	97.9	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-89.3	0.6	177.7	-60.7	174.4	0	0	0	112.9	F203 L211 K239 A240 L246 R261	F203-L242 HydrophobicContact CD2-CD1 4.04Å; F203-L242 HydrophobicContact CD2-CD2 4.23Å; F203-L242 HydrophobicContact CE2-CB 4.11Å; F203-L242 HydrophobicContact CE2-CD1 3.95Å; F203-L242 HydrophobicContact CE2-CD2 3.89Å; F203-L242 HydrophobicContact CE2-CG 4.19Å; L211-L242 HydrophobicContact CD2-CD2 3.67Å; K239-L242 HydrophobicContact CB-CD1 4.11Å; K239-L242 HydrophobicContact CB-CG 4.34Å; K239-L242 PolarHBondContact O-N 3.04Å; K239-L242 VanDerWaalsContact O-N 3.1Å; A240-L242 PolarHBondContact O-N 2.85Å; A240-L242 VanDerWaalsContact O-N 3.17Å; L242-L246 HydrophobicContact CD2-CD2 4.46Å; L242-R261 PolarHBondContact O-NH1 2.75Å; L242-R261 PolarHBondContact O-NH2 2.97Å
243	K	97.6	Very high	97.8	Very high	65 Å²	65	62.9 Å²	62.9	28%	0.283	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-119.9	179.9	-56.2	-52.8	-179.2	-175.7	0	110.7	D234 S237 A240 H241 R245 L246 E247 R261	D234-K243 IonicContact OD2-NZ 3.92Å; D234-K243 PolarHBondContact OD2-NZ 3.31Å; S237-K243 WeakPolarHBondContact O-CE 3.48Å; S237-K243 PolarHBondContact O-NZ 3.37Å; A240-K243 PolarHBondContact O-N 3.09Å; A240-K243 VanDerWaalsContact O-N 3.08Å; H241-K243 VanDerWaalsContact C-N 3.33Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 3.37Å; K243-L246 PolarHBondContact O-N 3.4Å; K243-L246 VanDerWaalsContact O-N 3.14Å; K243-E247 PolarHBondContact O-N 2.93Å; K243-R261 VanDerWaalsContact CA-NH2 3.32Å; K243-R261 PolarHBondContact O-NH2 2.88Å
244	E	97.6	Very high	97.8	Very high	160 Å²	160	70.4 Å²	70.4	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-57.7	-39.7	-174.7	-63.7	172	-173.6	0	0	112.8	L246 E247 E248	E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 2.89Å; E244-E247 PolarHBondContact O-N 3.11Å; E244-E248 PolarHBondContact O-N 2.9Å
245	R	98.2	Very high	97.7	Very high	142 Å²	142	72.2 Å²	72.2	54%	0.536	36%	0.357	S	S	.	.	H	α-helix	trans	-57.6	-42	178.1	-178.3	-175.4	166.9	164.6	-2.4	112.1	W208 K243 Y249	W208-R245 HydrophobicContact CE3-CG 4.44Å; W208-R245 HydrophobicContact CH2-CG 3.69Å; W208-R245 HydrophobicContact CZ2-CG 4.43Å; W208-R245 HydrophobicContact CZ3-CB 4.32Å; W208-R245 HydrophobicContact CZ3-CG 3.7Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 3.37Å; R245-Y249 VanDerWaalsContact O-CB 3.29Å; R245-Y249 WeakPolarHBondContact O-CB 3.5Å; R245-Y249 PolarHBondContact O-N 3.41Å
246	L	98.6	Very high	97.7	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-67.5	-45.1	178.7	178.6	60.3	0	0	0	110.8	F203 W208 L211 M212 L232 L242 K243 E244 E248 Y249 I250 L259	F203-L246 HydrophobicContact CE1-CD2 4.4Å; F203-L246 HydrophobicContact CE2-CD2 4.26Å; F203-L246 HydrophobicContact CZ-CD2 3.65Å; W208-L246 HydrophobicContact CZ3-CB 4.11Å; W208-L246 HydrophobicContact CZ3-CD1 4.29Å; L211-L246 HydrophobicContact CD2-CD1 4.48Å; L211-L246 HydrophobicContact CD2-CD2 4.31Å; M212-L246 HydrophobicContact CE-CD1 3.41Å; M212-L246 VanDerWaalsContact CE-CD1 3.41Å; M212-L246 HydrophobicContact SD-CD1 3.99Å; L232-L246 HydrophobicContact CD1-CD1 4.44Å; L242-L246 HydrophobicContact CD2-CD2 4.46Å; K243-L246 PolarHBondContact O-N 3.4Å; K243-L246 VanDerWaalsContact O-N 3.14Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 2.89Å; L246-E248 VanDerWaalsContact C-N 3.31Å; L246-E248 PolarHBondContact O-N 3.44Å; L246-Y249 PolarHBondContact O-N 2.96Å; L246-I250 HydrophobicContact CD1-CG2 3.82Å; L246-I250 HydrophobicContact CG-CG2 4.39Å; L246-I250 WeakPolarHBondContact O-CG1 3.27Å; L246-I250 VanDerWaalsContact O-CG2 3.31Å; L246-I250 WeakPolarHBondContact O-CG2 3.45Å; L246-I250 PolarHBondContact O-N 3.33Å; L246-L259 HydrophobicContact CD2-CD1 4.13Å; L246-L259 HydrophobicContact CD2-CD2 3.94Å; L246-L259 HydrophobicContact CG-CD2 4.16Å
247	E	97.8	Very high	97.8	Very high	86 Å²	86	69.6 Å²	69.6	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-40.1	178.4	-74.6	171.9	-160.8	0	0	112.6	K243 E244 I250 K251 L259 R261	K243-E247 PolarHBondContact O-N 2.93Å; E244-E247 PolarHBondContact O-N 3.11Å; E247-I250 WeakPolarHBondContact O-CG1 3.45Å; E247-K251 WeakPolarHBondContact O-CG 3.27Å; E247-L259 HydrophobicContact CG-CD2 3.73Å; E247-R261 IonicContact OE1-CZ 3.24Å; E247-R261 VanDerWaalsContact OE1-CZ 3.24Å; E247-R261 IonicContact OE1-NE 2.65Å; E247-R261 PolarHBondContact OE1-NE 2.98Å; E247-R261 IonicContact OE1-NH2 2.87Å; E247-R261 PolarHBondContact OE1-NH2 2.63Å
248	E	98.4	Very high	97.9	Very high	117 Å²	117	71.8 Å²	71.8	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-69.7	-46.2	176.2	-169.9	56.4	-143.9	0	0	111.4	E244 L246 I250 K251	E244-E248 PolarHBondContact O-N 2.9Å; L246-E248 VanDerWaalsContact C-N 3.31Å; L246-E248 PolarHBondContact O-N 3.44Å; E248-I250 VanDerWaalsContact C-N 3.34Å; E248-I250 PolarHBondContact O-N 2.85Å; E248-K251 WeakPolarHBondContact O-CB 3.35Å; E248-K251 PolarHBondContact O-N 3.02Å; E248-K251 IonicContact OE1-NZ 3.24Å; E248-K251 WeakPolarHBondContact OE2-CE 3.37Å; E248-K251 IonicContact OE2-NZ 3.83Å; E248-K251 PolarHBondContact OE2-NZ 3.46Å
249	Y	98.6	Very high	98	Very high	65 Å²	65	67.7 Å²	67.7	26%	0.255	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-39.8	-176.9	-171.2	-103	0	0	0	112.8	L173 W208 M212 H216 R245 L246 K251 Q252 W253	L173-Y249 WeakPolarHBondContact CD1-OH 3.13Å; W208-Y249 HydrophobicContact CH2-CD1 4.06Å; W208-Y249 HydrophobicContact CH2-CD2 4.34Å; W208-Y249 AromaticContact CH2-CG 3.76Å; W208-Y249 HydrophobicContact CH2-CG 3.76Å; W208-Y249 AromaticContact CZ2-CD1 3.87Å; W208-Y249 HydrophobicContact CZ2-CD1 3.87Å; W208-Y249 AromaticContact CZ2-CD2 3.9Å; W208-Y249 HydrophobicContact CZ2-CD2 3.9Å; W208-Y249 HydrophobicContact CZ2-CE1 4.24Å; W208-Y249 HydrophobicContact CZ2-CE2 4.29Å; W208-Y249 AromaticContact CZ2-CG 3.67Å; W208-Y249 HydrophobicContact CZ2-CG 3.67Å; M212-Y249 HydrophobicContact CB-CE1 4.42Å; M212-Y249 HydrophobicContact CG-CD1 4.27Å; M212-Y249 HydrophobicContact CG-CE1 3.97Å; M212-Y249 HydrophobicContact SD-CD1 3.41Å; M212-Y249 WeakPolarHBondContact SD-CD1 3.1Å; M212-Y249 HydrophobicContact SD-CE1 3.47Å; M212-Y249 WeakPolarHBondContact SD-CE1 3.49Å; H216-Y249 AromaticContact NE2-CE1 3.89Å; H216-Y249 AromaticContact NE2-CZ 3.88Å; H216-Y249 PolarHBondContact NE2-OH 2.8Å; R245-Y249 VanDerWaalsContact O-CB 3.29Å; R245-Y249 WeakPolarHBondContact O-CB 3.5Å; R245-Y249 PolarHBondContact O-N 3.41Å; L246-Y249 PolarHBondContact O-N 2.96Å; Y249-K251 PolarHBondContact O-N 2.89Å; Y249-Q252 VanDerWaalsContact CE1-NE2 3.29Å; Y249-Q252 VanDerWaalsContact CE2-NE2 3.34Å; Y249-Q252 VanDerWaalsContact O-CG 3.28Å; Y249-Q252 WeakPolarHBondContact O-CG 2.82Å; Y249-Q252 PolarHBondContact O-N 3.39Å; Y249-Q252 PolarHBondContact O-NE2 2.92Å; Y249-W253 AromaticContact CD1-CH2 3.99Å; Y249-W253 HydrophobicContact CD1-CH2 3.99Å; Y249-W253 HydrophobicContact CD1-CZ3 4.12Å; Y249-W253 AromaticContact CE1-CH2 3.59Å; Y249-W253 HydrophobicContact CE1-CH2 3.59Å; Y249-W253 HydrophobicContact CE1-CZ2 4.41Å; Y249-W253 HydrophobicContact CE1-CZ3 4.19Å
250	I	98.4	Very high	98.1	Very high	15 Å²	15	68.1 Å²	68.1	8%	0.077	34%	0.336	C	S	.	.	H	α-helix	trans	-70.2	-15.9	-177.4	67.2	173.2	0	0	0	114.1	L232 L246 E247 E248 Q252 W253 V257 L259	L232-I250 HydrophobicContact CD1-CG2 4.24Å; L246-I250 HydrophobicContact CD1-CG2 3.82Å; L246-I250 HydrophobicContact CG-CG2 4.39Å; L246-I250 WeakPolarHBondContact O-CG1 3.27Å; L246-I250 VanDerWaalsContact O-CG2 3.31Å; L246-I250 WeakPolarHBondContact O-CG2 3.45Å; L246-I250 PolarHBondContact O-N 3.33Å; E247-I250 WeakPolarHBondContact O-CG1 3.45Å; E248-I250 VanDerWaalsContact C-N 3.34Å; E248-I250 PolarHBondContact O-N 2.85Å; I250-Q252 PolarHBondContact O-N 3.11Å; I250-W253 HydrophobicContact CB-CE3 4.2Å; I250-W253 HydrophobicContact CB-CZ3 4.22Å; I250-W253 HydrophobicContact CG2-CE3 4.5Å; I250-W253 HydrophobicContact CG2-CZ3 4.05Å; I250-W253 PolarHBondContact O-N 3.07Å; I250-V257 HydrophobicContact CB-CB 4.32Å; I250-V257 HydrophobicContact CB-CG1 4.17Å; I250-V257 HydrophobicContact CG2-CG1 4.02Å; I250-L259 HydrophobicContact CD1-CB 3.67Å
251	K	98.3	Very high	98.2	Very high	124 Å²	124	67.5 Å²	67.5	54%	0.539	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.1	178.9	-70.3	173.4	-175.2	171.6	0	112.9	E247 E248 Y249 W253 N254	E247-K251 WeakPolarHBondContact O-CG 3.27Å; E248-K251 WeakPolarHBondContact O-CB 3.35Å; E248-K251 PolarHBondContact O-N 3.02Å; E248-K251 IonicContact OE1-NZ 3.24Å; E248-K251 WeakPolarHBondContact OE2-CE 3.37Å; E248-K251 IonicContact OE2-NZ 3.83Å; E248-K251 PolarHBondContact OE2-NZ 3.46Å; Y249-K251 PolarHBondContact O-N 2.89Å; K251-W253 PolarHBondContact O-N 3.16Å; K251-W253 VanDerWaalsContact O-N 3.08Å; K251-N254 PolarHBondContact O-N 3.15Å
252	Q	98.1	Very high	98.2	Very high	95 Å²	95	66.4 Å²	66.4	44%	0.444	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.4	-24.5	179.1	75.9	-173.7	-77.1	0	0	113.3	Y249 I250 N254	Y249-Q252 VanDerWaalsContact CE1-NE2 3.29Å; Y249-Q252 VanDerWaalsContact CE2-NE2 3.34Å; Y249-Q252 VanDerWaalsContact O-CG 3.28Å; Y249-Q252 WeakPolarHBondContact O-CG 2.82Å; Y249-Q252 PolarHBondContact O-N 3.39Å; Y249-Q252 PolarHBondContact O-NE2 2.92Å; I250-Q252 PolarHBondContact O-N 3.11Å; Q252-N254 VanDerWaalsContact C-N 3.33Å; Q252-N254 PolarHBondContact O-OD1 3.42Å
253	W	98.4	Very high	98	Very high	39 Å²	39	74 Å²	74	15%	0.148	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-94.6	19.6	178.2	-59.1	-65.5	0	0	0	113.7	V215 H216 I219 Y249 I250 K251 G255 L256 V257	V215-W253 HydrophobicContact CG1-CH2 3.88Å; V215-W253 HydrophobicContact CG1-CZ2 4.34Å; V215-W253 HydrophobicContact CG1-CZ3 4.01Å; H216-W253 AromaticContact CD2-CH2 3.89Å; H216-W253 AromaticContact CD2-CZ2 3.68Å; H216-W253 AromaticContact NE2-CH2 3.7Å; H216-W253 AromaticContact NE2-CZ2 3.39Å; H216-W253 WeakPolarHBondContact NE2-CZ2 3.36Å; I219-W253 HydrophobicContact CD1-CD2 3.77Å; I219-W253 HydrophobicContact CD1-CG 3.83Å; I219-W253 HydrophobicContact CD1-CZ2 4.06Å; Y249-W253 AromaticContact CD1-CH2 3.99Å; Y249-W253 HydrophobicContact CD1-CH2 3.99Å; Y249-W253 HydrophobicContact CD1-CZ3 4.12Å; Y249-W253 AromaticContact CE1-CH2 3.59Å; Y249-W253 HydrophobicContact CE1-CH2 3.59Å; Y249-W253 HydrophobicContact CE1-CZ2 4.41Å; Y249-W253 HydrophobicContact CE1-CZ3 4.19Å; I250-W253 HydrophobicContact CB-CE3 4.2Å; I250-W253 HydrophobicContact CB-CZ3 4.22Å; I250-W253 HydrophobicContact CG2-CE3 4.5Å; I250-W253 HydrophobicContact CG2-CZ3 4.05Å; I250-W253 PolarHBondContact O-N 3.07Å; K251-W253 PolarHBondContact O-N 3.16Å; K251-W253 VanDerWaalsContact O-N 3.08Å; W253-G255 PolarHBondContact O-N 3.05Å; W253-L256 HydrophobicContact CB-CB 4.16Å; W253-L256 VanDerWaalsContact O-CB 3.23Å; W253-L256 WeakPolarHBondContact O-CB 3.27Å; W253-L256 PolarHBondContact O-N 2.89Å; W253-V257 HydrophobicContact CB-CG2 3.97Å; W253-V257 HydrophobicContact CD2-CG2 3.79Å; W253-V257 HydrophobicContact CE3-CB 3.91Å; W253-V257 HydrophobicContact CE3-CG1 4.47Å; W253-V257 HydrophobicContact CE3-CG2 3.45Å; W253-V257 VanDerWaalsContact CE3-CG2 3.45Å; W253-V257 HydrophobicContact CG-CG2 4.04Å; W253-V257 HydrophobicContact CZ3-CG2 4.16Å
254	N	97.3	Very high	97.9	Very high	159 Å²	159	76.3 Å²	76.3	85%	0.85	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	37.9	169.9	-51.9	107.6	0	0	0	114.2	K251 Q252	K251-N254 PolarHBondContact O-N 3.15Å; Q252-N254 VanDerWaalsContact C-N 3.33Å; Q252-N254 PolarHBondContact O-OD1 3.42Å
255	G	96.5	Very high	97.7	Very high	38 Å²	38	70.5 Å²	70.5	39%	0.392	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	6.3	178.4	0	0	0	0	0	115.9	W253 V257	W253-G255 PolarHBondContact O-N 3.05Å; G255-V257 VanDerWaalsContact C-N 3.34Å
256	L	98.6	Very high	97.5	Very high	52 Å²	52	66.4 Å²	66.4	27%	0.272	32%	0.32	S	S	.	.	S	Bend	trans	-63.2	-43.5	166.8	179.4	68.3	0	0	0	110.8	I219 L227 E229 I230 W253	I219-L256 HydrophobicContact CD1-CD2 4.48Å; I219-L256 HydrophobicContact CG1-CD2 4.37Å; L227-L256 HydrophobicContact CD2-CD2 4.19Å; L227-L256 HydrophobicContact CG-CD1 4.4Å; E229-L256 WeakPolarHBondContact CA-O 3.41Å; I230-L256 PolarHBondContact N-O 3.41Å; W253-L256 HydrophobicContact CB-CB 4.16Å; W253-L256 VanDerWaalsContact O-CB 3.23Å; W253-L256 WeakPolarHBondContact O-CB 3.27Å; W253-L256 PolarHBondContact O-N 2.89Å
257	V	98.8	Very high	97.2	Very high	6 Å²	6	66.5 Å²	66.5	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.8	175.1	-172.1	0	0	0	0	108.9	V215 I219 I230 L232 I250 W253 G255	V215-V257 HydrophobicContact CG1-CG1 4.44Å; V215-V257 HydrophobicContact CG1-CG2 4.01Å; I219-V257 HydrophobicContact CD1-CG2 3.94Å; I230-V257 HydrophobicContact CB-CG1 4.38Å; I230-V257 HydrophobicContact CB-CG2 4.18Å; I230-V257 HydrophobicContact CD1-CG2 4.25Å; I230-V257 HydrophobicContact CG2-CG1 4.38Å; I230-V257 CarbonylContact O-C 3.56Å; I230-V257 WeakPolarHBondContact O-CA 3.31Å; L232-V257 HydrophobicContact CD1-CG1 3.82Å; L232-V257 HydrophobicContact CG-CG1 3.95Å; I250-V257 HydrophobicContact CB-CB 4.32Å; I250-V257 HydrophobicContact CB-CG1 4.17Å; I250-V257 HydrophobicContact CG2-CG1 4.02Å; W253-V257 HydrophobicContact CB-CG2 3.97Å; W253-V257 HydrophobicContact CD2-CG2 3.79Å; W253-V257 HydrophobicContact CE3-CB 3.91Å; W253-V257 HydrophobicContact CE3-CG1 4.47Å; W253-V257 HydrophobicContact CE3-CG2 3.45Å; W253-V257 VanDerWaalsContact CE3-CG2 3.45Å; W253-V257 HydrophobicContact CG-CG2 4.04Å; W253-V257 HydrophobicContact CZ3-CG2 4.16Å; G255-V257 VanDerWaalsContact C-N 3.34Å
258	K	98.5	Very high	97.1	Very high	52 Å²	52	64.2 Å²	64.2	23%	0.226	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.6	-179.2	-63	176.2	-179.8	172.7	0	110	E229 I230 L232 F260	E229-K258 WeakPolarHBondContact OE2-CE 3.4Å; E229-K258 IonicContact OE2-NZ 2.78Å; E229-K258 PolarHBondContact OE2-NZ 2.75Å; I230-K258 PolarHBondContact O-N 2.82Å; L232-K258 PolarHBondContact N-O 2.86Å; K258-F260 HydrophobicContact CB-CE2 4.01Å; K258-F260 HydrophobicContact CD-CE2 4.45Å; K258-F260 HydrophobicContact CD-CZ 4.49Å
259	L	98.7	Very high	96.9	Very high	30 Å²	30	58.7 Å²	58.7	16%	0.157	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131	176.5	178.1	63.9	0	0	0	110.1	F203 L232 D234 L246 E247 I250 R261	F203-L259 HydrophobicContact CE1-CD1 3.8Å; F203-L259 HydrophobicContact CZ-CD1 3.82Å; L232-L259 HydrophobicContact CB-CD1 3.82Å; L232-L259 WeakPolarHBondContact O-CA 3.11Å; D234-L259 HydrophobicContact CB-CD1 4.24Å; L246-L259 HydrophobicContact CD2-CD1 4.13Å; L246-L259 HydrophobicContact CD2-CD2 3.94Å; L246-L259 HydrophobicContact CG-CD2 4.16Å; E247-L259 HydrophobicContact CG-CD2 3.73Å; I250-L259 HydrophobicContact CD1-CB 3.67Å; L259-R261 HydrophobicContact CG-CG 4.48Å
260	F	98.6	Very high	96.9	Very high	60 Å²	60	57.2 Å²	57.2	26%	0.263	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.9	168.2	-59.3	-85	0	0	0	109.1	V231 L232 I233 D234 K258 K278	V231-F260 HydrophobicContact CG1-CD2 3.73Å; V231-F260 HydrophobicContact CG1-CE2 3.86Å; L232-F260 PolarHBondContact O-N 2.77Å; I233-F260 WeakPolarHBondContact CA-O 3.45Å; I233-F260 HydrophobicContact CD1-CB 3.88Å; I233-F260 HydrophobicContact CD1-CD2 4.06Å; I233-F260 HydrophobicContact CD1-CG 4.38Å; D234-F260 PolarHBondContact N-O 3.18Å; K258-F260 HydrophobicContact CB-CE2 4.01Å; K258-F260 HydrophobicContact CD-CE2 4.45Å; K258-F260 HydrophobicContact CD-CZ 4.49Å; F260-K278 HydrophobicContact CD1-CD 3.93Å; F260-K278 HydrophobicContact CD1-CG 4.3Å; F260-K278 HydrophobicContact CD2-CB 3.95Å; F260-K278 HydrophobicContact CD2-CG 4.25Å; F260-K278 HydrophobicContact CE1-CD 4.02Å; F260-K278 HydrophobicContact CE2-CB 3.89Å; F260-K278 HydrophobicContact CG-CB 4.32Å; F260-K278 HydrophobicContact CG-CD 4.26Å; F260-K278 HydrophobicContact CG-CG 4.12Å; F260-K278 HydrophobicContact CZ-CB 4.22Å; F260-K278 HydrophobicContact CZ-CD 4.44Å
261	R	98.4	Very high	96.8	Very high	72 Å²	72	56.5 Å²	56.5	27%	0.272	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.9	179.6	-57.1	-174.4	-179.3	-79	0.9	109.7	D234 L242 K243 E247 L259	D234-R261 HydrophobicContact CB-CB 4.37Å; D234-R261 HydrophobicContact CB-CG 4.05Å; D234-R261 IonicContact OD2-CZ 4Å; D234-R261 IonicContact OD2-NH1 2.87Å; D234-R261 PolarHBondContact OD2-NH1 3.09Å; L242-R261 PolarHBondContact O-NH1 2.75Å; L242-R261 PolarHBondContact O-NH2 2.97Å; K243-R261 VanDerWaalsContact CA-NH2 3.32Å; K243-R261 PolarHBondContact O-NH2 2.88Å; E247-R261 IonicContact OE1-CZ 3.24Å; E247-R261 VanDerWaalsContact OE1-CZ 3.24Å; E247-R261 IonicContact OE1-NE 2.65Å; E247-R261 PolarHBondContact OE1-NE 2.98Å; E247-R261 IonicContact OE1-NH2 2.87Å; E247-R261 PolarHBondContact OE1-NH2 2.63Å; L259-R261 HydrophobicContact CG-CG 4.48Å
262	N	97.6	Very high	96.9	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.091	25%	0.253	C	S	.	.			trans	-80.1	142	170.7	-65.8	-12.8	0	0	0	109.8	D234 D235 K264 E266	D234-N262 PolarHBondContact O-N 3.24Å; D235-N262 PolarHBondContact OD1-ND2 2.89Å; N262-K264 VanDerWaalsContact CB-O 3.26Å; N262-K264 WeakPolarHBondContact CB-O 3.43Å; N262-K264 PolarHBondContact O-N 3.08Å; N262-E266 HydrophobicContact CB-CG 4.34Å
263	D	95.4	Very high	96.9	Very high	160 Å²	160	46.5 Å²	46.5	86%	0.856	23%	0.233	S	C	*	.	S	Bend	trans	-73.9	-18.6	179.3	-61.2	-40.1	0	0	0	112.7	F236	F236-D263 VanDerWaalsContact CE2-O 3.3Å; F236-D263 WeakPolarHBondContact CE2-O 3.46Å
264	K	94.1	Very high	96.9	Very high	113 Å²	113	46.5 Å²	46.5	49%	0.491	24%	0.235	S	C	.	.	S	Bend	trans	-143.1	165.1	175.1	65.7	-179.7	-176.8	174.1	0	109.7	N262 E266	N262-K264 VanDerWaalsContact CB-O 3.26Å; N262-K264 WeakPolarHBondContact CB-O 3.43Å; N262-K264 PolarHBondContact O-N 3.08Å; K264-E266 WeakPolarHBondContact CE-OE1 3.48Å; K264-E266 WeakPolarHBondContact CE-OE2 3.4Å; K264-E266 HydrophobicContact CG-CG 4.32Å; K264-E266 IonicContact NZ-OE1 3.27Å; K264-E266 IonicContact NZ-OE2 3.05Å; K264-E266 PolarHBondContact O-N 2.76Å; K264-E266 VanDerWaalsContact O-N 3.15Å
265	R	93.8	Very high	96.9	Very high	38 Å²	38	38.9 Å²	38.9	14%	0.143	20%	0.195	C	C	.	.			trans	-74.8	103	173	-174.3	165.7	171.4	-137.2	5.2	109.8	F236 N438 P439 P441	F236-R265 HydrophobicContact CB-CB 3.94Å; F236-R265 HydrophobicContact CD1-CB 4.19Å; F236-R265 HydrophobicContact CG-CB 4.41Å; R265-N438 PolarHBondContact NH2-O 2.82Å; R265-P439 PolarHBondContact NH1-O 2.8Å; R265-P441 HydrophobicContact CB-CG 4.1Å; R265-P441 HydrophobicContact CG-CG 4.05Å
266	E	94.3	Very high	97	Very high	57 Å²	57	37.1 Å²	37.1	27%	0.266	18%	0.176	S	C	.	.			trans	-83.9	-25.3	-179.1	-62.5	-71.3	-174.6	0	0	111.6	D235 N262 K264 Q270 I274	D235-E266 PolarHBondContact OD1-N 2.93Å; N262-E266 HydrophobicContact CB-CG 4.34Å; K264-E266 WeakPolarHBondContact CE-OE1 3.48Å; K264-E266 WeakPolarHBondContact CE-OE2 3.4Å; K264-E266 HydrophobicContact CG-CG 4.32Å; K264-E266 IonicContact NZ-OE1 3.27Å; K264-E266 IonicContact NZ-OE2 3.05Å; K264-E266 PolarHBondContact O-N 2.76Å; K264-E266 VanDerWaalsContact O-N 3.15Å; E266-Q270 HydrophobicContact CB-CB 3.92Å; E266-I274 HydrophobicContact CB-CD1 4.39Å; E266-I274 HydrophobicContact CG-CD1 3.82Å
267	G	93.5	Very high	97	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	92.3	160.1	-172	0	0	0	0	0	112.8	D235 I269 Q270 A271	D235-G267 PolarHBondContact OD1-N 3.44Å; D235-G267 WeakPolarHBondContact OD2-CA 3.38Å; D235-G267 PolarHBondContact OD2-N 3.41Å; G267-I269 VanDerWaalsContact C-N 3.27Å; G267-I269 PolarHBondContact O-N 2.91Å; G267-Q270 PolarHBondContact O-N 3.29Å; G267-A271 WeakPolarHBondContact O-CB 3.44Å; G267-A271 PolarHBondContact O-N 3.48Å
268	L	94.4	Very high	97	Very high	38 Å²	38	45 Å²	45	20%	0.199	21%	0.208	C	C	.	.	H	α-helix	trans	-51.5	-47.4	-175.4	180	67.8	0	0	0	112	V202 A271 R272 I399	V202-L268 HydrophobicContact CB-CD1 4.16Å; V202-L268 HydrophobicContact CG1-CD1 3.99Å; L268-A271 PolarHBondContact O-N 2.69Å; L268-R272 WeakPolarHBondContact O-CG 3.28Å; L268-R272 PolarHBondContact O-N 2.86Å; L268-I399 WeakPolarHBondContact CB-O 3.44Å; L268-I399 PolarHBondContact N-O 2.74Å
269	I	95.7	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-54.1	-173.1	-51.3	171.4	0	0	0	110.7	G267 R272 S273 Y393 L397 E403	G267-I269 VanDerWaalsContact C-N 3.27Å; G267-I269 PolarHBondContact O-N 2.91Å; I269-R272 WeakPolarHBondContact O-CB 3.3Å; I269-R272 PolarHBondContact O-N 3.42Å; I269-S273 PolarHBondContact O-N 2.82Å; I269-Y393 HydrophobicContact CG2-CD1 4.49Å; I269-Y393 HydrophobicContact CG2-CD2 3.98Å; I269-Y393 HydrophobicContact CG2-CG 3.83Å; I269-L397 HydrophobicContact CD1-CB 3.75Å; I269-L397 HydrophobicContact CG2-CB 4.04Å; I269-L397 HydrophobicContact CG2-CD1 4.31Å; I269-E403 HydrophobicContact CB-CB 4.4Å; I269-E403 HydrophobicContact CD1-CB 3.9Å; I269-E403 HydrophobicContact CD1-CG 4.31Å; I269-E403 HydrophobicContact CG1-CB 3.83Å; I269-E403 HydrophobicContact CG1-CG 3.83Å; I269-E403 HydrophobicContact CG2-CB 3.76Å; I269-E403 HydrophobicContact CG2-CG 4.32Å
270	Q	96.9	Very high	96.9	Very high	35 Å²	35	45.6 Å²	45.6	16%	0.164	22%	0.217	C	C	.	.	H	α-helix	trans	-71.3	-35	-178.5	-62.1	-50.4	-38.2	0	0	111.8	E266 G267 R272 S273 I274 D394 P395 L397	E266-Q270 HydrophobicContact CB-CB 3.92Å; G267-Q270 PolarHBondContact O-N 3.29Å; Q270-R272 VanDerWaalsContact C-N 3.29Å; Q270-R272 PolarHBondContact O-N 3.3Å; Q270-S273 WeakPolarHBondContact O-CB 3.43Å; Q270-S273 PolarHBondContact O-N 3.13Å; Q270-S273 VanDerWaalsContact O-N 3.16Å; Q270-I274 WeakPolarHBondContact O-CG1 3.41Å; Q270-I274 PolarHBondContact O-N 2.74Å; Q270-D394 PolarHBondContact NE2-O 3.31Å; Q270-D394 VanDerWaalsContact NE2-O 3.17Å; Q270-P395 PolarHBondContact NE2-O 3.07Å; Q270-L397 PolarHBondContact NE2-O 3.49Å
271	A	98.1	Very high	96.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-35.5	173	0	0	0	0	0	112.3	V202 I233 D235 G267 L268 I274 G275	V202-A271 HydrophobicContact CG1-CB 3.53Å; V202-A271 HydrophobicContact CG2-CB 4.18Å; I233-A271 HydrophobicContact CG2-CB 4.09Å; D235-A271 HydrophobicContact CB-CB 4.08Å; G267-A271 WeakPolarHBondContact O-CB 3.44Å; G267-A271 PolarHBondContact O-N 3.48Å; L268-A271 PolarHBondContact O-N 2.69Å; A271-I274 PolarHBondContact O-N 3.35Å; A271-G275 PolarHBondContact O-N 3.04Å
272	R	98.4	Very high	96.8	Very high	4 Å²	4	45 Å²	45	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-42.3	171.7	-76.5	-173.2	-178.5	149.4	2.4	112.3	V202 L268 I269 Q270 I274 G275 A276 Y287 D289 G377 G378 Y393 E403	V202-R272 HydrophobicContact CG2-CB 4.41Å; V202-R272 HydrophobicContact CG2-CG 3.67Å; L268-R272 WeakPolarHBondContact O-CG 3.28Å; L268-R272 PolarHBondContact O-N 2.86Å; I269-R272 WeakPolarHBondContact O-CB 3.3Å; I269-R272 PolarHBondContact O-N 3.42Å; Q270-R272 VanDerWaalsContact C-N 3.29Å; Q270-R272 PolarHBondContact O-N 3.3Å; R272-I274 VanDerWaalsContact C-N 3.34Å; R272-G275 WeakPolarHBondContact O-CA 3.34Å; R272-G275 PolarHBondContact O-N 3.02Å; R272-G275 VanDerWaalsContact O-N 3.16Å; R272-A276 PolarHBondContact O-N 2.86Å; R272-Y287 HydrophobicContact CB-CD1 4.13Å; R272-Y287 HydrophobicContact CB-CE1 3.52Å; R272-Y287 HydrophobicContact CG-CD1 3.7Å; R272-Y287 HydrophobicContact CG-CE1 3.62Å; R272-Y287 PolarHBondContact O-OH 3.39Å; R272-D289 IonicContact NH2-OD1 3.66Å; R272-D289 PolarHBondContact NH2-OD1 3.34Å; R272-G377 VanDerWaalsContact CZ-O 3.3Å; R272-G377 PolarHBondContact NH1-O 2.78Å; R272-G377 PolarHBondContact NH2-O 3.27Å; R272-G378 PolarHBondContact NH2-O 3.23Å; R272-Y393 HydrophobicContact CB-CD2 4.36Å; R272-Y393 HydrophobicContact CB-CE2 3.97Å; R272-E403 IonicContact NH1-OE1 3.44Å
273	S	98.2	Very high	96.9	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-37.5	174.3	-67.8	0	0	0	0	112.5	I269 Q270 G275 A276 K277	I269-S273 PolarHBondContact O-N 2.82Å; Q270-S273 WeakPolarHBondContact O-CB 3.43Å; Q270-S273 PolarHBondContact O-N 3.13Å; Q270-S273 VanDerWaalsContact O-N 3.16Å; S273-G275 VanDerWaalsContact C-N 3.35Å; S273-A276 PolarHBondContact O-N 3.34Å; S273-K277 WeakPolarHBondContact O-CG 3.41Å; S273-K277 PolarHBondContact O-N 3.03Å
274	I	98.5	Very high	97.1	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.195	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-43.8	171.2	-68.1	164.6	0	0	0	109.9	E266 Q270 A271 R272 A276 K277 K278	E266-I274 HydrophobicContact CB-CD1 4.39Å; E266-I274 HydrophobicContact CG-CD1 3.82Å; Q270-I274 WeakPolarHBondContact O-CG1 3.41Å; Q270-I274 PolarHBondContact O-N 2.74Å; A271-I274 PolarHBondContact O-N 3.35Å; R272-I274 VanDerWaalsContact C-N 3.34Å; I274-A276 PolarHBondContact O-N 3.37Å; I274-K277 WeakPolarHBondContact O-CB 3.18Å; I274-K277 PolarHBondContact O-N 2.78Å; I274-K277 VanDerWaalsContact O-N 3.07Å; I274-K278 HydrophobicContact CG2-CG 4.16Å; I274-K278 WeakPolarHBondContact O-CG 3.28Å; I274-K278 PolarHBondContact O-N 2.87Å
275	G	98.5	Very high	97.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-53.6	-47.7	174.1	0	0	0	0	0	113.1	I200 A271 R272 S273 K277 K278 A279	I200-G275 VanDerWaalsContact CD1-C 3.49Å; A271-G275 PolarHBondContact O-N 3.04Å; R272-G275 WeakPolarHBondContact O-CA 3.34Å; R272-G275 PolarHBondContact O-N 3.02Å; R272-G275 VanDerWaalsContact O-N 3.16Å; S273-G275 VanDerWaalsContact C-N 3.35Å; G275-K277 VanDerWaalsContact C-N 3.26Å; G275-K277 PolarHBondContact O-N 3.5Å; G275-K278 PolarHBondContact O-N 2.8Å; G275-K278 VanDerWaalsContact O-N 3.14Å; G275-A279 VanDerWaalsContact O-CB 3.3Å; G275-A279 WeakPolarHBondContact O-CB 3.35Å; G275-A279 PolarHBondContact O-N 3.35Å
276	A	98.5	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.4	-39.5	175.6	0	0	0	0	0	112.5	R272 S273 I274 L285 Y287 F387 F388 L392	R272-A276 PolarHBondContact O-N 2.86Å; S273-A276 PolarHBondContact O-N 3.34Å; I274-A276 PolarHBondContact O-N 3.37Å; A276-L285 HydrophobicContact CB-CD1 3.6Å; A276-Y287 WeakPolarHBondContact CB-OH 3.38Å; A276-F387 HydrophobicContact CB-CD1 4.32Å; A276-F387 HydrophobicContact CB-CE1 4.36Å; A276-F388 HydrophobicContact CB-CE2 4.3Å; A276-F388 HydrophobicContact CB-CZ 4.12Å; A276-L392 HydrophobicContact CB-CD2 3.93Å
277	K	98.4	Very high	97.7	Very high	128 Å²	128	31 Å²	31	56%	0.557	15%	0.15	S	C	*	.	H	α-helix	trans	-71.2	-33.8	178.7	-66.8	170.5	-176.1	177.5	0	112.4	S273 I274 G275 F388 L392	S273-K277 WeakPolarHBondContact O-CG 3.41Å; S273-K277 PolarHBondContact O-N 3.03Å; I274-K277 WeakPolarHBondContact O-CB 3.18Å; I274-K277 PolarHBondContact O-N 2.78Å; I274-K277 VanDerWaalsContact O-N 3.07Å; G275-K277 VanDerWaalsContact C-N 3.26Å; G275-K277 PolarHBondContact O-N 3.5Å; K277-F388 HydrophobicContact CG-CE1 4.01Å; K277-F388 HydrophobicContact CG-CZ 4.12Å; K277-L392 HydrophobicContact CG-CD1 4.48Å
278	K	98.5	Very high	98	Very high	97 Å²	97	31.1 Å²	31.1	42%	0.422	15%	0.15	S	C	.	.	H	α-helix	trans	-83.4	-29.9	179.9	-64	-64.7	-175.7	178.9	0	113	V231 F260 I274 G275 T280	V231-K278 HydrophobicContact CG1-CB 4.37Å; F260-K278 HydrophobicContact CD1-CD 3.93Å; F260-K278 HydrophobicContact CD1-CG 4.3Å; F260-K278 HydrophobicContact CD2-CB 3.95Å; F260-K278 HydrophobicContact CD2-CG 4.25Å; F260-K278 HydrophobicContact CE1-CD 4.02Å; F260-K278 HydrophobicContact CE2-CB 3.89Å; F260-K278 HydrophobicContact CG-CB 4.32Å; F260-K278 HydrophobicContact CG-CD 4.26Å; F260-K278 HydrophobicContact CG-CG 4.12Å; F260-K278 HydrophobicContact CZ-CB 4.22Å; F260-K278 HydrophobicContact CZ-CD 4.44Å; I274-K278 HydrophobicContact CG2-CG 4.16Å; I274-K278 WeakPolarHBondContact O-CG 3.28Å; I274-K278 PolarHBondContact O-N 2.87Å; G275-K278 PolarHBondContact O-N 2.8Å; G275-K278 VanDerWaalsContact O-N 3.14Å; K278-T280 PolarHBondContact O-N 3.47Å
279	A	98.3	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.			trans	-73.5	108.2	172.7	0	0	0	0	0	110.3	I200 E229 V231 G275 L285 R384	I200-A279 HydrophobicContact CD1-CB 3.87Å; I200-A279 HydrophobicContact CG1-CB 4Å; E229-A279 WeakPolarHBondContact OE1-CA 3.48Å; V231-A279 HydrophobicContact CG2-CB 4.07Å; G275-A279 VanDerWaalsContact O-CB 3.3Å; G275-A279 WeakPolarHBondContact O-CB 3.35Å; G275-A279 PolarHBondContact O-N 3.35Å; A279-L285 HydrophobicContact CB-CD2 3.73Å; A279-R384 PolarHBondContact O-NE 3.37Å
280	T	96.7	Very high	98.3	Very high	93 Å²	93	30.6 Å²	30.6	57%	0.571	15%	0.148	S	C	*	.			trans	-123.9	-9.8	-169.3	47.8	0	0	0	0	113.5	E229 K278	E229-T280 PolarHBondContact OE1-N 2.99Å; K278-T280 PolarHBondContact O-N 3.47Å
281	K	97.9	Very high	98.4	Very high	116 Å²	116	29.9 Å²	29.9	50%	0.504	14%	0.144	S	C	.	.	S	Bend	trans	-96.2	-34.5	-174.9	-64.2	-176.9	167.8	179.9	0	114.5	A228 E229	A228-K281 HydrophobicContact CB-CB 3.9Å; E229-K281 HydrophobicContact CB-CD 4.23Å; E229-K281 HydrophobicContact CG-CB 4.07Å; E229-K281 HydrophobicContact CG-CD 4.33Å; E229-K281 HydrophobicContact CG-CG 4.47Å; E229-K281 WeakPolarHBondContact OE1-CB 3.41Å; E229-K281 PolarHBondContact OE1-N 2.88Å
282	G	98	Very high	98.4	Very high	5 Å²	5	29.9 Å²	29.9	5%	0.052	15%	0.145	C	C	.	.			trans	-85.9	149.7	-177.6	0	0	0	0	0	113.1	S198	S198-G282 WeakPolarHBondContact OG-CA 3.23Å; S198-G282 PolarHBondContact OG-N 3.49Å
283	Q	98.6	Very high	98.4	Very high	89 Å²	89	29.9 Å²	29.9	42%	0.416	15%	0.145	S	C	.	.	S	Bend	trans	-80.6	-28.9	173.4	-63	167.8	-81.1	0	0	111.7	L195 T196 R384	L195-Q283 HydrophobicContact CB-CB 4.23Å; L195-Q283 HydrophobicContact CD2-CB 4.32Å; T196-Q283 VanDerWaalsContact N-OE1 3.08Å; T196-Q283 PolarHBondContact O-N 2.75Å; T196-Q283 PolarHBondContact OG1-OE1 3.31Å; T196-Q283 VanDerWaalsContact OG1-OE1 3.06Å; Q283-R384 VanDerWaalsContact O-CB 3.27Å; Q283-R384 WeakPolarHBondContact O-CB 3.33Å; Q283-R384 PolarHBondContact O-N 2.86Å
284	V	98.9	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.1	175.2	178.8	0	0	0	0	109.3	L195 T196 S197 S198 I286 I303 I306 A381 I382	L195-V284 HydrophobicContact CB-CG2 3.71Å; L195-V284 HydrophobicContact CD1-CG2 3.67Å; L195-V284 HydrophobicContact CG-CG2 4.36Å; T196-V284 PolarHBondContact O-N 3.49Å; S197-V284 CarbonylContact C-O 3.47Å; S197-V284 WeakPolarHBondContact CA-O 3.33Å; S198-V284 PolarHBondContact N-O 3.24Å; V284-I286 HydrophobicContact CG1-CG1 4.38Å; V284-I303 HydrophobicContact CB-CD1 4.33Å; V284-I303 HydrophobicContact CG1-CD1 3.74Å; V284-I306 HydrophobicContact CG1-CD1 3.88Å; V284-I306 HydrophobicContact CG2-CG2 4.02Å; V284-A381 HydrophobicContact CG1-CB 4Å; V284-I382 WeakPolarHBondContact CG1-O 3.19Å
285	L	98.9	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.4	170.1	-59	-178.7	0	0	0	108.4	I200 A276 A279 Y287 A381 I382 R384 F387	I200-L285 HydrophobicContact CD1-CB 4.3Å; I200-L285 HydrophobicContact CD1-CD1 4.34Å; I200-L285 HydrophobicContact CD1-CD2 3.96Å; I200-L285 HydrophobicContact CD1-CG 4.42Å; A276-L285 HydrophobicContact CB-CD1 3.6Å; A279-L285 HydrophobicContact CB-CD2 3.73Å; L285-Y287 HydrophobicContact CB-CE2 4.08Å; L285-A381 VanDerWaalsContact O-CA 3.26Å; L285-A381 WeakPolarHBondContact O-CA 3.23Å; L285-I382 HydrophobicContact CB-CG2 4.4Å; L285-I382 PolarHBondContact N-O 3.42Å; L285-I382 PolarHBondContact O-N 2.89Å; L285-R384 HydrophobicContact CD1-CB 4.44Å; L285-R384 HydrophobicContact CD1-CG 4.06Å; L285-R384 HydrophobicContact CD2-CB 4.33Å; L285-R384 HydrophobicContact CD2-CG 4.07Å; L285-R384 HydrophobicContact CG-CB 3.97Å; L285-R384 HydrophobicContact CG-CG 3.97Å; L285-F387 HydrophobicContact CD1-CD1 3.98Å
286	I	98.9	Very high	98.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.7	171.8	-54	174.1	0	0	0	108.2	S197 S198 V199 I200 V284 L288 W298 Y299 L302 I303 F380 A381	S197-I286 WeakPolarHBondContact OG-CD1 3.19Å; S198-I286 PolarHBondContact O-N 3.18Å; V199-I286 CarbonylContact C-O 3.51Å; V199-I286 VanDerWaalsContact CA-O 3.31Å; V199-I286 WeakPolarHBondContact CA-O 3.34Å; V199-I286 HydrophobicContact CG2-CB 4.24Å; V199-I286 HydrophobicContact CG2-CD1 4.3Å; I200-I286 PolarHBondContact N-O 2.92Å; V284-I286 HydrophobicContact CG1-CG1 4.38Å; I286-L288 HydrophobicContact CG2-CD2 4.43Å; I286-L288 HydrophobicContact CG2-CG 4.44Å; I286-W298 HydrophobicContact CD1-CH2 4.01Å; I286-W298 HydrophobicContact CD1-CZ3 4.49Å; I286-W298 HydrophobicContact CG2-CH2 3.79Å; I286-W298 HydrophobicContact CG2-CZ3 3.89Å; I286-Y299 HydrophobicContact CD1-CD2 4.04Å; I286-Y299 HydrophobicContact CD1-CE2 3.76Å; I286-L302 HydrophobicContact CD1-CD2 4.45Å; I286-L302 HydrophobicContact CG2-CD2 4.3Å; I286-I303 HydrophobicContact CD1-CD1 3.94Å; I286-I303 HydrophobicContact CG1-CD1 4.17Å; I286-F380 CarbonylContact C-O 3.58Å; I286-F380 WeakPolarHBondContact CA-O 3.37Å; I286-A381 HydrophobicContact CG1-CB 3.87Å
287	Y	98.9	Very high	98.3	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.3	173	-72.8	-88.2	0	0	0	110.2	I200 R272 A276 L285 L379 F380 F387	I200-Y287 HydrophobicContact CB-CD1 3.93Å; I200-Y287 HydrophobicContact CB-CE1 3.86Å; I200-Y287 HydrophobicContact CD1-CE1 3.81Å; I200-Y287 HydrophobicContact CD1-CE2 4.18Å; I200-Y287 HydrophobicContact CG1-CE1 4.46Å; I200-Y287 HydrophobicContact CG2-CD1 3.97Å; I200-Y287 HydrophobicContact CG2-CE1 3.67Å; R272-Y287 HydrophobicContact CB-CD1 4.13Å; R272-Y287 HydrophobicContact CB-CE1 3.52Å; R272-Y287 HydrophobicContact CG-CD1 3.7Å; R272-Y287 HydrophobicContact CG-CE1 3.62Å; R272-Y287 PolarHBondContact O-OH 3.39Å; A276-Y287 WeakPolarHBondContact CB-OH 3.38Å; L285-Y287 HydrophobicContact CB-CE2 4.08Å; Y287-L379 VanDerWaalsContact O-CA 3.28Å; Y287-L379 WeakPolarHBondContact O-CA 3.4Å; Y287-F380 HydrophobicContact CD2-CD1 4.27Å; Y287-F380 HydrophobicContact CD2-CD2 4.4Å; Y287-F380 AromaticContact CD2-CE1 3.59Å; Y287-F380 HydrophobicContact CD2-CE1 3.59Å; Y287-F380 AromaticContact CD2-CE2 3.76Å; Y287-F380 HydrophobicContact CD2-CE2 3.76Å; Y287-F380 AromaticContact CD2-CZ 3.29Å; Y287-F380 HydrophobicContact CD2-CZ 3.29Å; Y287-F380 HydrophobicContact CE2-CE1 4.37Å; Y287-F380 HydrophobicContact CE2-CE2 4.15Å; Y287-F380 AromaticContact CE2-CZ 3.7Å; Y287-F380 HydrophobicContact CE2-CZ 3.7Å; Y287-F380 HydrophobicContact CG-CD1 4.43Å; Y287-F380 AromaticContact CG-CE1 3.8Å; Y287-F380 HydrophobicContact CG-CE1 3.8Å; Y287-F380 AromaticContact CG-CZ 3.99Å; Y287-F380 HydrophobicContact CG-CZ 3.99Å; Y287-F380 PolarHBondContact N-O 2.91Å; Y287-F380 PolarHBondContact O-N 3.1Å; Y287-F387 HydrophobicContact CE2-CD1 4.45Å; Y287-F387 AromaticContact CE2-CE1 3.99Å; Y287-F387 HydrophobicContact CE2-CE1 3.99Å
288	L	98.9	Very high	98.3	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.4	168.6	-59.5	175.1	0	0	0	108.6	V199 I200 I201 V218 I286 V294 W298 L379 V426	V199-L288 HydrophobicContact CG1-CD1 3.67Å; V199-L288 HydrophobicContact CG1-CG 4.06Å; I200-L288 PolarHBondContact O-N 2.78Å; I200-L288 VanDerWaalsContact O-N 3.1Å; I201-L288 HydrophobicContact CG1-CB 4.24Å; V218-L288 HydrophobicContact CG2-CD1 3.47Å; V218-L288 VanDerWaalsContact CG2-CD1 3.47Å; I286-L288 HydrophobicContact CG2-CD2 4.43Å; I286-L288 HydrophobicContact CG2-CG 4.44Å; L288-V294 HydrophobicContact CD1-CG1 3.87Å; L288-V294 HydrophobicContact CD2-CG1 4.47Å; L288-W298 HydrophobicContact CD1-CH2 4.21Å; L288-W298 HydrophobicContact CD2-CH2 4.38Å; L288-W298 HydrophobicContact CD2-CZ3 4.21Å; L288-L379 HydrophobicContact CD2-CB 4.36Å; L288-L379 HydrophobicContact CD2-CD2 3.72Å; L288-L379 HydrophobicContact CD2-CG 4.49Å; L288-V426 HydrophobicContact CD2-CG1 4.3Å; L288-V426 HydrophobicContact CD2-CG2 4.45Å
289	D	98.3	Very high	98.3	Very high	26 Å²	26	19.9 Å²	19.9	14%	0.139	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	159.9	166.9	-68.2	-26.9	0	0	0	109.9	R272 H291 C292 G378 H428	R272-D289 IonicContact NH2-OD1 3.66Å; R272-D289 PolarHBondContact NH2-OD1 3.34Å; D289-H291 PolarHBondContact O-N 3.46Å; D289-H291 VanDerWaalsContact O-N 3.12Å; D289-C292 PolarHBondContact O-SG 3.22Å; D289-C292 VanDerWaalsContact O-SG 3.39Å; D289-G378 WeakPolarHBondContact OD2-CA 3.32Å; D289-H428 IonicContact OD2-CD2 3.87Å; D289-H428 IonicContact OD2-NE2 3.35Å
290	A	98.4	Very high	98.3	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	10%	0.103	C	C	.	.	S	Bend	trans	-77.6	6.5	-170.8	0	0	0	0	0	114.9	I201 F203 E206 T210 L211 T214	I201-A290 HydrophobicContact CG2-CB 3.79Å; F203-A290 HydrophobicContact CB-CB 3.67Å; E206-A290 HydrophobicContact CB-CB 4.36Å; E206-A290 HydrophobicContact CG-CB 3.77Å; T210-A290 CarbonylContact C-O 3.39Å; L211-A290 WeakPolarHBondContact CA-O 3.47Å; L211-A290 HydrophobicContact CD1-CB 3.8Å; L211-A290 PolarHBondContact N-O 2.8Å; T214-A290 VanDerWaalsContact OG1-C 3.3Å; T214-A290 PolarHBondContact OG1-O 3Å; T214-A290 VanDerWaalsContact OG1-O 3.11Å
291	H	98.5	Very high	98.4	Very high	19 Å²	19	15.7 Å²	15.7	9%	0.088	8%	0.077	C	C	.	.	S	Bend	trans	-138.2	59.1	-178.9	38	-93.9	0	0	0	109.1	F163 E206 T214 D289 H428 I429	F163-H291 HydrophobicContact CE2-CB 4.33Å; F163-H291 HydrophobicContact CZ-CB 4.5Å; F163-H291 AromaticContact CZ-CD2 3.91Å; E206-H291 VanDerWaalsContact CD-ND1 3.34Å; E206-H291 IonicContact OE1-ND1 2.87Å; E206-H291 IonicContact OE2-CE1 2.87Å; E206-H291 PolarHBondContact OE2-CE1 3.49Å; E206-H291 IonicContact OE2-CG 2.68Å; E206-H291 IonicContact OE2-ND1 3.84Å; E206-H291 PolarHBondContact OE2-ND1 3.41Å; T214-H291 PolarHBondContact OG1-N 2.04Å; D289-H291 PolarHBondContact O-N 3.46Å; D289-H291 VanDerWaalsContact O-N 3.12Å; H291-H428 AromaticContact CD2-CD2 3.97Å; H291-H428 AromaticContact CD2-CE1 3.89Å; H291-H428 AromaticContact CD2-NE2 3.49Å; H291-H428 PolarHBondContact CD2-NE2 3.34Å; H291-H428 AromaticContact NE2-CE1 3.83Å; H291-H428 AromaticContact NE2-NE2 3.33Å; H291-H428 PolarHBondContact NE2-NE2 2.84Å; H291-I429 HydrophobicContact CB-CB 4.23Å; H291-I429 HydrophobicContact CB-CD1 3.97Å; H291-I429 HydrophobicContact CB-CG1 4.21Å; H291-I429 WeakPolarHBondContact O-CG1 3.31Å; H291-I429 PolarHBondContact O-N 2.83Å
292	C	98.7	Very high	98.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	156	-178.1	-65.7	0	0	0	0	112.1	T214 D289 L379 V426 G427	T214-C292 WeakPolarHBondContact CA-O 3.44Å; T214-C292 WeakPolarHBondContact CB-O 3.4Å; T214-C292 HydrophobicContact CG2-CB 4.05Å; T214-C292 PolarHBondContact OG1-N 3.21Å; T214-C292 PolarHBondContact OG1-O 3.14Å; D289-C292 PolarHBondContact O-SG 3.22Å; D289-C292 VanDerWaalsContact O-SG 3.39Å; C292-L379 HydrophobicContact CB-CD2 4.29Å; C292-L379 VanDerWaalsContact SG-CD2 3.51Å; C292-V426 HydrophobicContact CB-CG1 3.87Å; C292-G427 CarbonylContact C-O 3.58Å; C292-G427 WeakPolarHBondContact CA-O 3.45Å; C292-G427 WeakPolarHBondContact CB-O 3.19Å
293	E	98.7	Very high	98.5	Very high	3 Å²	3	9.9 Å²	9.9	1%	0.014	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.4	170.8	-63.4	-176	-139.4	0	0	109.1	R175 R213 I321 G427	R175-E293 IonicContact CZ-OE1 3.4Å; R175-E293 IonicContact CZ-OE2 3.57Å; R175-E293 IonicContact NE-OE1 3.73Å; R175-E293 PolarHBondContact NE-OE1 3.26Å; R175-E293 IonicContact NE-OE2 3.19Å; R175-E293 PolarHBondContact NE-OE2 3.26Å; R175-E293 VanDerWaalsContact NH2-CD 3.32Å; R175-E293 IonicContact NH2-OE1 2.78Å; R175-E293 PolarHBondContact NH2-OE1 2.96Å; R175-E293 IonicContact NH2-OE2 2.76Å; R175-E293 PolarHBondContact NH2-OE2 2.87Å; R213-E293 WeakPolarHBondContact CD-OE1 3.26Å; R213-E293 HydrophobicContact CG-CG 3.99Å; R213-E293 IonicContact NE-OE1 3.56Å; R213-E293 PolarHBondContact NE-OE1 3.49Å; E293-I321 HydrophobicContact CB-CD1 3.92Å; E293-I321 HydrophobicContact CG-CD1 3.94Å; E293-G427 PolarHBondContact N-O 2.97Å; E293-G427 PolarHBondContact O-N 3.46Å
294	V	98.7	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.5	-176.2	-56.8	0	0	0	0	111.6	I177 S217 V218 R221 L288 W298 V426	I177-V294 VanDerWaalsContact CD1-O 3.31Å; I177-V294 WeakPolarHBondContact CD1-O 3.19Å; S217-V294 VanDerWaalsContact C-CG2 3.47Å; S217-V294 VanDerWaalsContact O-CG2 3.27Å; S217-V294 WeakPolarHBondContact O-CG2 3.4Å; S217-V294 PolarHBondContact OG-N 3.46Å; V218-V294 HydrophobicContact CG2-CG1 3.96Å; V218-V294 HydrophobicContact CG2-CG2 4.49Å; R221-V294 HydrophobicContact CB-CG2 4.09Å; R221-V294 VanDerWaalsContact CD-O 3.22Å; R221-V294 WeakPolarHBondContact CD-O 3.42Å; R221-V294 PolarHBondContact NH1-O 3.48Å; L288-V294 HydrophobicContact CD1-CG1 3.87Å; L288-V294 HydrophobicContact CD2-CG1 4.47Å; V294-W298 HydrophobicContact CB-CD2 3.82Å; V294-W298 HydrophobicContact CB-CE3 4.43Å; V294-W298 HydrophobicContact CB-CG 3.87Å; V294-W298 HydrophobicContact CB-CZ2 4.37Å; V294-W298 HydrophobicContact CG1-CD2 4Å; V294-W298 HydrophobicContact CG1-CE3 4.23Å; V294-W298 HydrophobicContact CG1-CH2 4.12Å; V294-W298 HydrophobicContact CG1-CZ2 3.92Å; V294-W298 HydrophobicContact CG1-CZ3 4.28Å; V294-W298 HydrophobicContact CG2-CD2 4.42Å; V294-W298 HydrophobicContact CG2-CG 4.33Å; V294-V426 HydrophobicContact CB-CG2 4.41Å; V294-V426 HydrophobicContact CG1-CG1 4.19Å; V294-V426 HydrophobicContact CG1-CG2 4.12Å
295	G	97.8	Very high	98.5	Very high	6 Å²	6	6.8 Å²	6.8	6%	0.062	4%	0.038	C	C	.	.	P	Polyproline II helix	trans	-71.4	168.6	-179.5	0	0	0	0	0	114.7	R425	G295-R425 VanDerWaalsContact CA-O 3.3Å; G295-R425 WeakPolarHBondContact CA-O 3.43Å; G295-R425 PolarHBondContact N-O 3.15Å
296	I	96.9	Very high	98.5	Very high	31 Å²	31	6.9 Å²	6.9	16%	0.159	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	132.8	170.2	-60	173.1	0	0	0	109.2	P125 D179 R181 W298	P125-I296 HydrophobicContact CG-CG2 3.49Å; P125-I296 VanDerWaalsContact CG-CG2 3.49Å; D179-I296 HydrophobicContact CB-CD1 4.15Å; R181-I296 PolarHBondContact NE-O 3.23Å; R181-I296 PolarHBondContact NH1-O 3.37Å; I296-W298 PolarHBondContact O-N 3.37Å; I296-W298 VanDerWaalsContact O-N 3.15Å
297	N	97.4	Very high	98.5	Very high	14 Å²	14	6.8 Å²	6.8	8%	0.075	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	40.6	-179.1	-174.3	23.8	0	0	0	112.9	F123 E124 P301	F123-N297 VanDerWaalsContact CB-OD1 3.27Å; F123-N297 WeakPolarHBondContact CB-OD1 3.47Å; E124-N297 PolarHBondContact OE1-ND2 2.86Å; N297-P301 WeakPolarHBondContact O-CD 3.34Å; N297-P301 WeakPolarHBondContact O-CG 3.34Å
298	W	98.7	Very high	98.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.			trans	-69.9	-34	179	76.8	-70	0	0	0	112.5	T222 I286 L288 V294 I296 P301 L302 S424 V426	T222-W298 PolarHBondContact OG1-NE1 3.33Å; I286-W298 HydrophobicContact CD1-CH2 4.01Å; I286-W298 HydrophobicContact CD1-CZ3 4.49Å; I286-W298 HydrophobicContact CG2-CH2 3.79Å; I286-W298 HydrophobicContact CG2-CZ3 3.89Å; L288-W298 HydrophobicContact CD1-CH2 4.21Å; L288-W298 HydrophobicContact CD2-CH2 4.38Å; L288-W298 HydrophobicContact CD2-CZ3 4.21Å; V294-W298 HydrophobicContact CB-CD2 3.82Å; V294-W298 HydrophobicContact CB-CE3 4.43Å; V294-W298 HydrophobicContact CB-CG 3.87Å; V294-W298 HydrophobicContact CB-CZ2 4.37Å; V294-W298 HydrophobicContact CG1-CD2 4Å; V294-W298 HydrophobicContact CG1-CE3 4.23Å; V294-W298 HydrophobicContact CG1-CH2 4.12Å; V294-W298 HydrophobicContact CG1-CZ2 3.92Å; V294-W298 HydrophobicContact CG1-CZ3 4.28Å; V294-W298 HydrophobicContact CG2-CD2 4.42Å; V294-W298 HydrophobicContact CG2-CG 4.33Å; I296-W298 PolarHBondContact O-N 3.37Å; I296-W298 VanDerWaalsContact O-N 3.15Å; W298-P301 WeakPolarHBondContact O-CG 3.29Å; W298-L302 HydrophobicContact CE3-CD2 3.82Å; W298-L302 HydrophobicContact CZ3-CD2 3.58Å; W298-L302 WeakPolarHBondContact O-CB 3.41Å; W298-L302 PolarHBondContact O-N 3.09Å; W298-S424 VanDerWaalsContact O-CB 3.26Å; W298-S424 WeakPolarHBondContact O-CB 3.31Å; W298-S424 PolarHBondContact O-OG 2.97Å; W298-V426 HydrophobicContact CE3-CG2 3.91Å; W298-V426 HydrophobicContact CZ3-CG2 4.35Å
299	Y	98.8	Very high	98.4	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.027	8%	0.075	C	C	.	.	H	α-helix	trans	-68.2	-53.4	-168.6	-174.3	-89.6	0	0	0	114.2	L194 L195 S197 T222 Y226 I286 L302 I303	L194-Y299 HydrophobicContact CB-CE1 4.42Å; L194-Y299 HydrophobicContact CD1-CD1 4.28Å; L194-Y299 HydrophobicContact CD1-CE1 4.3Å; L195-Y299 PolarHBondContact O-OH 2.67Å; S197-Y299 WeakPolarHBondContact CB-OH 3.2Å; S197-Y299 PolarHBondContact N-OH 2.93Å; S197-Y299 WeakPolarHBondContact OG-CE2 3.14Å; S197-Y299 PolarHBondContact OG-OH 3Å; T222-Y299 HydrophobicContact CG2-CD2 3.69Å; T222-Y299 HydrophobicContact CG2-CE2 4.17Å; T222-Y299 HydrophobicContact CG2-CG 4.02Å; Y226-Y299 VanDerWaalsContact CB-CE1 3.41Å; Y226-Y299 VanDerWaalsContact CB-CZ 3.5Å; Y226-Y299 HydrophobicContact CD1-CE1 4.32Å; Y226-Y299 HydrophobicContact CD2-CD1 4.19Å; Y226-Y299 HydrophobicContact CD2-CE1 4.03Å; Y226-Y299 HydrophobicContact CG-CD1 4.31Å; Y226-Y299 AromaticContact CG-CE1 3.69Å; Y226-Y299 HydrophobicContact CG-CE1 3.69Å; Y226-Y299 PolarHBondContact O-OH 3.11Å; I286-Y299 HydrophobicContact CD1-CD2 4.04Å; I286-Y299 HydrophobicContact CD1-CE2 3.76Å; Y299-L302 WeakPolarHBondContact O-CB 3.28Å; Y299-L302 PolarHBondContact O-N 3.24Å; Y299-L302 VanDerWaalsContact O-N 3.15Å; Y299-I303 HydrophobicContact CD1-CG1 4.14Å; Y299-I303 HydrophobicContact CD2-CG1 4.1Å; Y299-I303 HydrophobicContact CE1-CB 4.11Å; Y299-I303 HydrophobicContact CE1-CG1 3.8Å; Y299-I303 HydrophobicContact CE1-CG2 4.32Å; Y299-I303 HydrophobicContact CE2-CD1 4.44Å; Y299-I303 HydrophobicContact CE2-CG1 3.8Å; Y299-I303 HydrophobicContact CG-CG1 4.27Å; Y299-I303 WeakPolarHBondContact O-CG1 3.48Å; Y299-I303 PolarHBondContact O-N 3.38Å
300	A	98.7	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.5	-50.5	-174.6	0	0	0	0	0	113.4	F123 Y190 L194 L302 I303 A304	F123-A300 HydrophobicContact CB-CB 4.3Å; F123-A300 HydrophobicContact CD1-CB 3.6Å; F123-A300 HydrophobicContact CD2-CB 4.25Å; F123-A300 HydrophobicContact CE1-CB 3.81Å; F123-A300 HydrophobicContact CE2-CB 4.49Å; F123-A300 HydrophobicContact CG-CB 3.81Å; F123-A300 HydrophobicContact CZ-CB 4.27Å; Y190-A300 HydrophobicContact CD1-CB 4.29Å; Y190-A300 HydrophobicContact CD2-CB 3.94Å; Y190-A300 HydrophobicContact CE2-CB 4.33Å; Y190-A300 HydrophobicContact CG-CB 3.93Å; L194-A300 HydrophobicContact CD1-CB 3.78Å; A300-L302 VanDerWaalsContact C-N 3.28Å; A300-L302 PolarHBondContact O-N 3.44Å; A300-I303 PolarHBondContact O-N 3.49Å; A300-A304 VanDerWaalsContact O-CB 3.25Å; A300-A304 WeakPolarHBondContact O-CB 3.29Å; A300-A304 PolarHBondContact O-N 2.89Å
301	P	98.8	Very high	98.4	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.032	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-35.3	175	17.7	-27.8	0	0	0	113	Y190 N297 W298 P305 V421 C423	Y190-P301 HydrophobicContact CE1-CB 4.16Å; Y190-P301 WeakPolarHBondContact OH-CB 3.3Å; N297-P301 WeakPolarHBondContact O-CD 3.34Å; N297-P301 WeakPolarHBondContact O-CG 3.34Å; W298-P301 WeakPolarHBondContact O-CG 3.29Å; P301-P305 WeakPolarHBondContact O-CD 3.3Å; P301-V421 HydrophobicContact CB-CG1 3.72Å; P301-V421 WeakPolarHBondContact O-CG1 3.16Å; P301-C423 HydrophobicContact CB-CB 3.78Å; P301-C423 HydrophobicContact CG-CB 3.97Å
302	L	98.9	Very high	98.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.3	-39.1	-179.9	-170.2	66.5	0	0	0	112.3	I286 W298 Y299 A300 T314 P316 A381	I286-L302 HydrophobicContact CD1-CD2 4.45Å; I286-L302 HydrophobicContact CG2-CD2 4.3Å; W298-L302 HydrophobicContact CE3-CD2 3.82Å; W298-L302 HydrophobicContact CZ3-CD2 3.58Å; W298-L302 WeakPolarHBondContact O-CB 3.41Å; W298-L302 PolarHBondContact O-N 3.09Å; Y299-L302 WeakPolarHBondContact O-CB 3.28Å; Y299-L302 PolarHBondContact O-N 3.24Å; Y299-L302 VanDerWaalsContact O-N 3.15Å; A300-L302 VanDerWaalsContact C-N 3.28Å; A300-L302 PolarHBondContact O-N 3.44Å; L302-T314 VanDerWaalsContact CD1-OG1 3.29Å; L302-T314 WeakPolarHBondContact CD1-OG1 3.48Å; L302-T314 WeakPolarHBondContact O-CB 3.3Å; L302-T314 VanDerWaalsContact O-CG2 3.31Å; L302-T314 WeakPolarHBondContact O-CG2 3.13Å; L302-T314 PolarHBondContact O-OG1 3.25Å; L302-P316 HydrophobicContact CD1-CB 4.41Å; L302-A381 HydrophobicContact CD1-CB 4.45Å; L302-A381 HydrophobicContact CD2-CB 3.93Å; L302-A381 HydrophobicContact CG-CB 3.93Å
303	I	98.8	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-96.4	-22.5	-170	-58.2	-61.1	0	0	0	113	L194 L195 V284 I286 Y299 A300 I306 S307 A381	L194-I303 HydrophobicContact CB-CG2 4.38Å; L194-I303 HydrophobicContact CD2-CB 4.27Å; L194-I303 HydrophobicContact CD2-CG2 4.22Å; L195-I303 HydrophobicContact CB-CG2 4.12Å; V284-I303 HydrophobicContact CB-CD1 4.33Å; V284-I303 HydrophobicContact CG1-CD1 3.74Å; I286-I303 HydrophobicContact CD1-CD1 3.94Å; I286-I303 HydrophobicContact CG1-CD1 4.17Å; Y299-I303 HydrophobicContact CD1-CG1 4.14Å; Y299-I303 HydrophobicContact CD2-CG1 4.1Å; Y299-I303 HydrophobicContact CE1-CB 4.11Å; Y299-I303 HydrophobicContact CE1-CG1 3.8Å; Y299-I303 HydrophobicContact CE1-CG2 4.32Å; Y299-I303 HydrophobicContact CE2-CD1 4.44Å; Y299-I303 HydrophobicContact CE2-CG1 3.8Å; Y299-I303 HydrophobicContact CG-CG1 4.27Å; Y299-I303 WeakPolarHBondContact O-CG1 3.48Å; Y299-I303 PolarHBondContact O-N 3.38Å; A300-I303 PolarHBondContact O-N 3.49Å; I303-I306 HydrophobicContact CD1-CD1 4.33Å; I303-I306 PolarHBondContact O-N 3.4Å; I303-S307 PolarHBondContact O-N 3.14Å; I303-S307 PolarHBondContact O-OG 3.07Å; I303-A381 HydrophobicContact CD1-CB 3.95Å
304	A	98.8	Very high	98.4	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.033	7%	0.073	C	C	.	.	H	α-helix	trans	-56.9	-42.5	179.4	0	0	0	0	0	114	Y110 Y190 L194 A300 I306 S307 K308	Y110-A304 HydrophobicContact CE1-CB 3.84Å; Y110-A304 WeakPolarHBondContact OH-CB 3.4Å; Y190-A304 HydrophobicContact CD1-CB 3.89Å; Y190-A304 HydrophobicContact CE1-CB 4.33Å; L194-A304 HydrophobicContact CD2-CB 3.99Å; A300-A304 VanDerWaalsContact O-CB 3.25Å; A300-A304 WeakPolarHBondContact O-CB 3.29Å; A300-A304 PolarHBondContact O-N 2.89Å; A304-I306 PolarHBondContact O-N 3.09Å; A304-S307 PolarHBondContact O-N 2.95Å; A304-K308 PolarHBondContact O-N 3.28Å
305	P	98.6	Very high	98.4	Very high	20 Å²	20	14.4 Å²	14.4	13%	0.13	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-40.9	176.5	-23	35.1	0	0	0	112.8	P301 S307 K308 D309 V312 T314 P369 L419	P301-P305 WeakPolarHBondContact O-CD 3.3Å; P305-S307 VanDerWaalsContact C-N 3.31Å; P305-S307 PolarHBondContact O-N 3.48Å; P305-K308 PolarHBondContact O-N 3.31Å; P305-D309 PolarHBondContact O-N 2.96Å; P305-V312 HydrophobicContact CB-CG1 3.92Å; P305-T314 HydrophobicContact CB-CG2 3.73Å; P305-T314 HydrophobicContact CG-CG2 3.85Å; P305-P369 HydrophobicContact CG-CG 4.01Å; P305-L419 HydrophobicContact CB-CD1 4.19Å
306	I	98.8	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-66.9	-36.4	178	-48.3	-177	0	0	0	110.9	L195 V284 I303 A304 K308 D309 R310 V312 T314 A381 E383	L195-I306 HydrophobicContact CD1-CG2 4.21Å; V284-I306 HydrophobicContact CG1-CD1 3.88Å; V284-I306 HydrophobicContact CG2-CG2 4.02Å; I303-I306 HydrophobicContact CD1-CD1 4.33Å; I303-I306 PolarHBondContact O-N 3.4Å; A304-I306 PolarHBondContact O-N 3.09Å; I306-K308 PolarHBondContact O-N 3.41Å; I306-D309 CarbonylContact O-C 3.58Å; I306-D309 PolarHBondContact O-N 3.35Å; I306-R310 PolarHBondContact O-N 2.85Å; I306-V312 WeakPolarHBondContact CG1-O 3.29Å; I306-T314 HydrophobicContact CD1-CG2 4.3Å; I306-T314 WeakPolarHBondContact CD1-OG1 3.19Å; I306-T314 HydrophobicContact CG1-CG2 3.8Å; I306-A381 HydrophobicContact CD1-CB 3.7Å; I306-A381 WeakPolarHBondContact CD1-O 3.47Å; I306-E383 HydrophobicContact CG2-CB 3.82Å
307	S	98.4	Very high	98.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.7	-26.6	176.8	-54.9	0	0	0	0	112	H108 Y110 L195 I303 A304 P305	H108-S307 PolarHBondContact CD2-O 3.24Å; Y110-S307 WeakPolarHBondContact CB-O 3.23Å; L195-S307 PolarHBondContact N-OG 3.23Å; I303-S307 PolarHBondContact O-N 3.14Å; I303-S307 PolarHBondContact O-OG 3.07Å; A304-S307 PolarHBondContact O-N 2.95Å; P305-S307 VanDerWaalsContact C-N 3.31Å; P305-S307 PolarHBondContact O-N 3.48Å
308	K	97.9	Very high	98.6	Very high	119 Å²	119	12.7 Å²	12.7	52%	0.517	6%	0.063	S	C	.	.	H	α-helix	trans	-84.6	-34.2	176.7	-175.1	-177.7	178.7	178.1	0	113.1	D106 Y110 S112 A304 P305 I306	D106-K308 VanDerWaalsContact OD2-O 3.1Å; Y110-K308 HydrophobicContact CD1-CB 4.21Å; S112-K308 WeakPolarHBondContact OG-CD 3.49Å; S112-K308 VanDerWaalsContact OG-CE 3.23Å; S112-K308 WeakPolarHBondContact OG-CE 3.31Å; S112-K308 PolarHBondContact OG-NZ 3.45Å; A304-K308 PolarHBondContact O-N 3.28Å; P305-K308 PolarHBondContact O-N 3.31Å; I306-K308 PolarHBondContact O-N 3.41Å
309	D	98.1	Very high	98.5	Very high	51 Å²	51	12.7 Å²	12.7	27%	0.273	6%	0.063	S	C	.	.			trans	-147.5	108.8	179.8	177.5	-9.1	0	0	0	108.7	D106 P305 I306 T311 V312	D106-D309 WeakPolarHBondContact OD2-CA 3.35Å; P305-D309 PolarHBondContact O-N 2.96Å; I306-D309 CarbonylContact O-C 3.58Å; I306-D309 PolarHBondContact O-N 3.35Å; D309-T311 PolarHBondContact O-N 2.75Å; D309-T311 WeakPolarHBondContact OD1-CB 3.38Å; D309-T311 PolarHBondContact OD1-N 3.16Å; D309-T311 PolarHBondContact OD1-OG1 2.95Å; D309-V312 HydrophobicContact CB-CG2 3.73Å; D309-V312 WeakPolarHBondContact O-CB 3.27Å; D309-V312 WeakPolarHBondContact O-CG2 3.44Å; D309-V312 PolarHBondContact O-N 3.39Å
310	R	98.1	Very high	98.4	Very high	18 Å²	18	14.9 Å²	14.9	7%	0.068	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.3	-178.2	67.5	172.4	-65	-106.4	5.8	114.6	K104 D106 I306 V312 E383 F386 E389	K104-R310 PolarHBondContact O-NH1 3.09Å; D106-R310 HydrophobicContact CB-CG 4.32Å; I306-R310 PolarHBondContact O-N 2.85Å; R310-V312 VanDerWaalsContact C-N 3.26Å; R310-E383 HydrophobicContact CB-CB 4.27Å; R310-E383 HydrophobicContact CB-CG 4.08Å; R310-E383 IonicContact CZ-OE2 3.5Å; R310-E383 IonicContact NE-OE2 3.63Å; R310-E383 PolarHBondContact NE-OE2 3.22Å; R310-E383 VanDerWaalsContact NE-OE2 3.12Å; R310-E383 IonicContact NH2-OE2 2.64Å; R310-E383 PolarHBondContact NH2-OE2 3.16Å; R310-E383 WeakPolarHBondContact O-CB 3.4Å; R310-F386 WeakPolarHBondContact O-CD1 3.46Å; R310-E389 IonicContact CZ-OE1 2.69Å; R310-E389 IonicContact CZ-OE2 3.45Å; R310-E389 IonicContact NH1-OE1 3.25Å; R310-E389 PolarHBondContact NH1-OE1 3.48Å; R310-E389 IonicContact NH1-OE2 3.23Å; R310-E389 PolarHBondContact NH1-OE2 3.39Å; R310-E389 IonicContact NH2-OE1 3.35Å; R310-E389 PolarHBondContact NH2-OE1 2.82Å; R310-E389 IonicContact NH2-OE2 2.78Å; R310-E389 PolarHBondContact NH2-OE2 2.83Å
311	T	98.5	Very high	98.3	Very high	22 Å²	22	14.9 Å²	14.9	14%	0.135	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.8	179.8	70.3	0	0	0	0	113.1	D309 F386 G416 Q417	D309-T311 PolarHBondContact O-N 2.75Å; D309-T311 WeakPolarHBondContact OD1-CB 3.38Å; D309-T311 PolarHBondContact OD1-N 3.16Å; D309-T311 PolarHBondContact OD1-OG1 2.95Å; T311-F386 HydrophobicContact CG2-CD2 4.24Å; T311-F386 HydrophobicContact CG2-CE2 4.07Å; T311-F386 HydrophobicContact CG2-CZ 4.43Å; T311-F386 VanDerWaalsContact O-CE1 3.23Å; T311-F386 WeakPolarHBondContact O-CE1 3.23Å; T311-G416 WeakPolarHBondContact O-CA 3.44Å; T311-Q417 PolarHBondContact O-N 3.4Å; T311-Q417 VanDerWaalsContact O-N 3.08Å
312	V	98.8	Very high	98.2	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.024	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.4	172.6	178.6	0	0	0	0	110.1	P305 I306 D309 R310 T314 Q417 L419	P305-V312 HydrophobicContact CB-CG1 3.92Å; I306-V312 WeakPolarHBondContact CG1-O 3.29Å; D309-V312 HydrophobicContact CB-CG2 3.73Å; D309-V312 WeakPolarHBondContact O-CB 3.27Å; D309-V312 WeakPolarHBondContact O-CG2 3.44Å; D309-V312 PolarHBondContact O-N 3.39Å; R310-V312 VanDerWaalsContact C-N 3.26Å; V312-T314 HydrophobicContact CG1-CG2 3.8Å; V312-Q417 HydrophobicContact CG2-CB 4.24Å; V312-L419 HydrophobicContact CG1-CB 4.48Å; V312-L419 HydrophobicContact CG1-CD1 3.66Å; V312-L419 HydrophobicContact CG1-CG 3.93Å
313	C	98.9	Very high	98.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.9	163.1	-177.7	0	0	0	0	108.6	M375 A381 I382 I411 Q417 L418 L419	C313-M375 VanDerWaalsContact SG-CE 3.54Å; C313-A381 WeakPolarHBondContact CA-O 3.33Å; C313-A381 PolarHBondContact SG-O 3.04Å; C313-A381 VanDerWaalsContact SG-O 3.39Å; C313-I382 HydrophobicContact CB-CD1 4.39Å; C313-I382 HydrophobicContact CB-CG1 4.45Å; C313-I411 HydrophobicContact CB-CD1 3.57Å; C313-Q417 PolarHBondContact N-O 3.45Å; C313-L418 HydrophobicContact CB-CD1 4Å; C313-L418 WeakPolarHBondContact O-CA 3.37Å; C313-L419 PolarHBondContact O-N 2.99Å
314	T	98.9	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150.3	179.3	59.5	0	0	0	0	111.8	L302 P305 I306 V312 F380 A381 L419 V421	L302-T314 VanDerWaalsContact CD1-OG1 3.29Å; L302-T314 WeakPolarHBondContact CD1-OG1 3.48Å; L302-T314 WeakPolarHBondContact O-CB 3.3Å; L302-T314 VanDerWaalsContact O-CG2 3.31Å; L302-T314 WeakPolarHBondContact O-CG2 3.13Å; L302-T314 PolarHBondContact O-OG1 3.25Å; P305-T314 HydrophobicContact CB-CG2 3.73Å; P305-T314 HydrophobicContact CG-CG2 3.85Å; I306-T314 HydrophobicContact CD1-CG2 4.3Å; I306-T314 WeakPolarHBondContact CD1-OG1 3.19Å; I306-T314 HydrophobicContact CG1-CG2 3.8Å; V312-T314 HydrophobicContact CG1-CG2 3.8Å; T314-F380 CarbonylContact O-C 3.6Å; T314-F380 VanDerWaalsContact O-CA 3.27Å; T314-F380 WeakPolarHBondContact O-CA 3.42Å; T314-F380 WeakPolarHBondContact O-CB 3.28Å; T314-A381 PolarHBondContact N-O 2.98Å; T314-A381 PolarHBondContact O-N 2.98Å; T314-L419 CarbonylContact C-O 3.48Å; T314-L419 WeakPolarHBondContact CA-O 3.34Å; T314-V421 HydrophobicContact CG2-CG2 4.05Å
315	V	98.9	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.8	-179.6	175.3	0	0	0	0	107.9	M375 F380 L418 L419 F420 V421	V315-M375 HydrophobicContact CG2-CB 3.85Å; V315-M375 HydrophobicContact CG2-CE 4.5Å; V315-F380 HydrophobicContact CG2-CB 3.91Å; V315-L418 HydrophobicContact CG2-CD1 3.75Å; V315-L419 PolarHBondContact N-O 3.38Å; V315-F420 HydrophobicContact CB-CD1 3.59Å; V315-F420 HydrophobicContact CB-CE1 3.73Å; V315-F420 HydrophobicContact CB-CG 4.47Å; V315-F420 HydrophobicContact CG1-CD1 3.86Å; V315-F420 HydrophobicContact CG1-CE1 3.64Å; V315-F420 HydrophobicContact CG1-CZ 4.18Å; V315-F420 HydrophobicContact CG2-CD1 4.18Å; V315-F420 HydrophobicContact CG2-CE1 4.01Å; V315-F420 WeakPolarHBondContact O-CA 3.46Å; V315-V421 PolarHBondContact O-N 2.69Å
316	P	98.7	Very high	97.9	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.013	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	156.1	171	30.9	-35.3	0	0	0	110.3	L302 I318 L379 S424 V426	L302-P316 HydrophobicContact CD1-CB 4.41Å; P316-I318 PolarHBondContact O-N 3.27Å; P316-L379 HydrophobicContact CG-CB 4.03Å; P316-S424 CarbonylContact C-O 3.56Å; P316-S424 WeakPolarHBondContact CA-O 2.88Å; P316-S424 VanDerWaalsContact CB-O 3.29Å; P316-S424 WeakPolarHBondContact CB-O 3.33Å; P316-S424 WeakPolarHBondContact CB-OG 3.44Å; P316-V426 HydrophobicContact CB-CB 4.37Å; P316-V426 HydrophobicContact CB-CG2 3.79Å; P316-V426 HydrophobicContact CG-CB 4.26Å; P316-V426 HydrophobicContact CG-CG2 3.8Å
317	L	98.2	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.2	162.9	-60.4	-170.2	0	0	0	109.2	L339 Y370 F420 P422 S424 R425 V426	L317-L339 HydrophobicContact CD1-CD2 3.81Å; L317-Y370 WeakPolarHBondContact CD2-OH 3.24Å; L317-F420 HydrophobicContact CD2-CB 4.16Å; L317-F420 HydrophobicContact CD2-CD2 4.03Å; L317-F420 HydrophobicContact CD2-CG 4.47Å; L317-P422 HydrophobicContact CD1-CB 4.34Å; L317-S424 PolarHBondContact N-O 3.34Å; L317-R425 HydrophobicContact CB-CG 4.37Å; L317-R425 VanDerWaalsContact CD1-NH1 3.33Å; L317-R425 WeakPolarHBondContact O-CA 3.45Å; L317-V426 PolarHBondContact O-N 3.11Å
318	I	97.8	Very high	97.7	Very high	13 Å²	13	22.4 Å²	22.4	7%	0.067	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.6	-173.2	-50.4	173.7	0	0	0	107.9	P316 Q331 A376 L379 V426 H428	P316-I318 PolarHBondContact O-N 3.27Å; I318-Q331 VanDerWaalsContact O-CB 3.26Å; I318-Q331 WeakPolarHBondContact O-CB 3.4Å; I318-Q331 WeakPolarHBondContact O-CG 3.5Å; I318-A376 HydrophobicContact CD1-CB 3.82Å; I318-L379 HydrophobicContact CB-CD1 4.42Å; I318-L379 HydrophobicContact CD1-CD1 3.48Å; I318-L379 VanDerWaalsContact CD1-CD1 3.48Å; I318-L379 HydrophobicContact CG1-CD1 3.75Å; I318-L379 HydrophobicContact CG2-CD1 3.82Å; I318-V426 WeakPolarHBondContact CA-O 3.43Å; I318-H428 HydrophobicContact CG2-CB 3.67Å
319	D	97.3	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	153.9	-177.9	-68.3	-39.9	0	0	0	111.4	I180 M328 E329 P330 Q331 R425 V426 H428	I180-D319 HydrophobicContact CD1-CB 3.85Å; I180-D319 WeakPolarHBondContact CD1-OD2 3.47Å; D319-M328 HydrophobicContact CB-CE 3.67Å; D319-M328 HydrophobicContact CB-CG 4.42Å; D319-E329 WeakPolarHBondContact CB-O 3.42Å; D319-P330 WeakPolarHBondContact OD1-CA 3.32Å; D319-Q331 PolarHBondContact OD1-N 2.76Å; D319-R425 IonicContact OD1-CZ 3.58Å; D319-R425 IonicContact OD1-NE 3.59Å; D319-R425 PolarHBondContact OD1-NE 2.86Å; D319-R425 IonicContact OD1-NH2 3.31Å; D319-R425 PolarHBondContact OD1-NH2 3.37Å; D319-R425 WeakPolarHBondContact OD2-CB 3.27Å; D319-R425 IonicContact OD2-CZ 3.87Å; D319-R425 IonicContact OD2-NE 2.78Å; D319-R425 PolarHBondContact OD2-NE 3.27Å; D319-R425 IonicContact OD2-NH2 2.73Å; D319-V426 PolarHBondContact N-O 2.95Å; D319-H428 PolarHBondContact O-N 2.83Å
320	Y	95.9	Very high	97.3	Very high	53 Å²	53	21.9 Å²	21.9	21%	0.208	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.2	-179	174.5	-93.8	0	0	0	109.2	D322 M328 E329 Y430	Y320-D322 VanDerWaalsContact CE1-CA 3.47Å; Y320-D322 HydrophobicContact CE1-CB 3.71Å; Y320-D322 PolarHBondContact OH-OD2 3.48Å; Y320-M328 CarbonylContact O-C 3.6Å; Y320-M328 WeakPolarHBondContact O-CA 3.15Å; Y320-E329 HydrophobicContact CD1-CB 4.31Å; Y320-E329 PolarHBondContact N-O 3.47Å; Y320-E329 PolarHBondContact O-N 2.95Å; Y320-Y430 HydrophobicContact CD2-CD1 4.47Å; Y320-Y430 AromaticContact CD2-CD2 3.24Å; Y320-Y430 HydrophobicContact CD2-CD2 3.24Å; Y320-Y430 AromaticContact CD2-CE2 3.77Å; Y320-Y430 HydrophobicContact CD2-CE2 3.77Å; Y320-Y430 AromaticContact CD2-CG 3.64Å; Y320-Y430 HydrophobicContact CD2-CG 3.64Å; Y320-Y430 AromaticContact CE2-CD2 3.77Å; Y320-Y430 HydrophobicContact CE2-CD2 3.77Å; Y320-Y430 AromaticContact CE2-CG 3.71Å; Y320-Y430 HydrophobicContact CE2-CG 3.71Å; Y320-Y430 HydrophobicContact CG-CD2 4.17Å
321	I	97.8	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.6	162.8	-59.1	172.1	0	0	0	107.7	E293 G323 Y326 T327 M328 G427 H428 I429 Y430	E293-I321 HydrophobicContact CB-CD1 3.92Å; E293-I321 HydrophobicContact CG-CD1 3.94Å; I321-G323 PolarHBondContact O-N 2.89Å; I321-Y326 HydrophobicContact CG2-CD1 4.28Å; I321-T327 CarbonylContact C-O 3.51Å; I321-T327 VanDerWaalsContact CA-O 3.27Å; I321-T327 WeakPolarHBondContact CA-O 3.34Å; I321-M328 HydrophobicContact CG1-CG 4.3Å; I321-G427 VanDerWaalsContact CD1-C 3.46Å; I321-H428 PolarHBondContact N-O 2.76Å; I321-I429 HydrophobicContact CB-CB 4.44Å; I321-I429 HydrophobicContact CB-CG1 3.92Å; I321-I429 HydrophobicContact CD1-CG1 4.2Å; I321-I429 HydrophobicContact CG2-CG1 3.85Å; I321-I429 WeakPolarHBondContact O-CA 3.48Å; I321-Y430 PolarHBondContact O-N 2.92Å
322	D	97.2	Very high	96.2	Very high	31 Å²	31	26.9 Å²	26.9	17%	0.166	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-65.1	124.1	177.8	-170.8	-90.1	0	0	0	110.9	Y320 N324 E325 Y326 T327	Y320-D322 VanDerWaalsContact CE1-CA 3.47Å; Y320-D322 HydrophobicContact CE1-CB 3.71Å; Y320-D322 PolarHBondContact OH-OD2 3.48Å; D322-N324 PolarHBondContact O-N 3.2Å; D322-N324 VanDerWaalsContact OD1-CA 3.31Å; D322-N324 WeakPolarHBondContact OD1-CA 3.37Å; D322-N324 VanDerWaalsContact OD1-CB 3.29Å; D322-N324 WeakPolarHBondContact OD1-CB 3.45Å; D322-N324 PolarHBondContact OD1-N 3.36Å; D322-E325 PolarHBondContact OD1-N 3.38Å; D322-Y326 WeakPolarHBondContact O-CA 3.43Å; D322-Y326 PolarHBondContact O-N 3.34Å; D322-T327 VanDerWaalsContact CB-OG1 3.31Å; D322-T327 WeakPolarHBondContact CB-OG1 3.43Å; D322-T327 PolarHBondContact N-O 3.01Å
323	G	96.4	Very high	95.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10	-177.3	0	0	0	0	0	114.6	N164 I321	N164-G323 WeakPolarHBondContact CB-O 3.37Å; N164-G323 PolarHBondContact N-O 2.92Å; I321-G323 PolarHBondContact O-N 2.89Å
324	N	96.8	Very high	95	Very high	55 Å²	55	30.1 Å²	30.1	29%	0.294	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-50.5	179.7	-172.3	50.6	0	0	0	112.4	N164 D322 L432	N164-N324 PolarHBondContact ND2-O 3.06Å; N164-N324 PolarHBondContact ND2-OD1 3.12Å; D322-N324 PolarHBondContact O-N 3.2Å; D322-N324 VanDerWaalsContact OD1-CA 3.31Å; D322-N324 WeakPolarHBondContact OD1-CA 3.37Å; D322-N324 VanDerWaalsContact OD1-CB 3.29Å; D322-N324 WeakPolarHBondContact OD1-CB 3.45Å; D322-N324 PolarHBondContact OD1-N 3.36Å; N324-L432 HydrophobicContact CB-CD1 3.92Å; N324-L432 HydrophobicContact CB-CD2 4.48Å
325	E	96.4	Very high	94.7	Very high	63 Å²	63	31.1 Å²	31.1	29%	0.294	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-8.3	-172.1	-60.7	-175.9	-174.3	0	0	113.8	P143 F144 V145 D322 T327	P143-E325 HydrophobicContact CB-CB 4.32Å; P143-E325 WeakPolarHBondContact CB-OE2 3.31Å; F144-E325 PolarHBondContact N-O 2.87Å; V145-E325 HydrophobicContact CG2-CG 4.24Å; D322-E325 PolarHBondContact OD1-N 3.38Å; E325-T327 PolarHBondContact O-N 2.96Å
326	Y	97.6	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.			trans	59.6	25.3	178.2	-64.8	-98.1	0	0	0	114.8	N164 A167 S168 I171 R175 I321 D322 I429	N164-Y326 HydrophobicContact CB-CE2 4.43Å; N164-Y326 VanDerWaalsContact O-CE2 3.23Å; N164-Y326 WeakPolarHBondContact O-CE2 3.47Å; N164-Y326 PolarHBondContact O-OH 2.92Å; A167-Y326 HydrophobicContact CB-CD2 3.98Å; A167-Y326 HydrophobicContact CB-CE2 3.81Å; S168-Y326 VanDerWaalsContact CB-OH 3.23Å; S168-Y326 WeakPolarHBondContact CB-OH 3.17Å; I171-Y326 HydrophobicContact CD1-CD1 4.31Å; I171-Y326 HydrophobicContact CD1-CD2 3.79Å; I171-Y326 HydrophobicContact CD1-CG 3.61Å; R175-Y326 PolarHBondContact NH1-O 2.87Å; R175-Y326 PolarHBondContact NH2-O 3.45Å; I321-Y326 HydrophobicContact CG2-CD1 4.28Å; D322-Y326 WeakPolarHBondContact O-CA 3.43Å; D322-Y326 PolarHBondContact O-N 3.34Å; Y326-I429 HydrophobicContact CD1-CD1 4.34Å; Y326-I429 HydrophobicContact CE1-CD1 3.76Å
327	T	97	Very high	94.2	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.147	22%	0.221	C	C	.	.			trans	-65	156.7	163	52.6	0	0	0	0	110.4	P143 I321 D322 E325	P143-T327 VanDerWaalsContact CA-CG2 3.41Å; P143-T327 HydrophobicContact CB-CG2 3.45Å; P143-T327 VanDerWaalsContact CB-CG2 3.45Å; P143-T327 HydrophobicContact CG-CG2 4.11Å; I321-T327 CarbonylContact C-O 3.51Å; I321-T327 VanDerWaalsContact CA-O 3.27Å; I321-T327 WeakPolarHBondContact CA-O 3.34Å; D322-T327 VanDerWaalsContact CB-OG1 3.31Å; D322-T327 WeakPolarHBondContact CB-OG1 3.43Å; D322-T327 PolarHBondContact N-O 3.01Å; E325-T327 PolarHBondContact O-N 2.96Å
328	M	95.9	Very high	94	Very high	16 Å²	16	42 Å²	42	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.1	176.7	-171.4	171.1	-177.8	0	0	109.7	A141 I177 I180 D319 Y320 I321 G427	A141-M328 HydrophobicContact CB-CB 3.71Å; I177-M328 HydrophobicContact CB-SD 4.39Å; I177-M328 HydrophobicContact CD1-SD 4.46Å; I180-M328 HydrophobicContact CD1-CE 4.12Å; I180-M328 HydrophobicContact CD1-CG 4.19Å; D319-M328 HydrophobicContact CB-CE 3.67Å; D319-M328 HydrophobicContact CB-CG 4.42Å; Y320-M328 CarbonylContact O-C 3.6Å; Y320-M328 WeakPolarHBondContact O-CA 3.15Å; I321-M328 HydrophobicContact CG1-CG 4.3Å; M328-G427 VanDerWaalsContact CE-CA 3.45Å
329	E	94.7	Very high	93.9	Very high	87 Å²	87	41.4 Å²	41.4	41%	0.407	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.4	-179.5	-62.7	-172.2	166.1	0	0	110.9	D319 Y320	D319-E329 WeakPolarHBondContact CB-O 3.42Å; Y320-E329 HydrophobicContact CD1-CB 4.31Å; Y320-E329 PolarHBondContact N-O 3.47Å; Y320-E329 PolarHBondContact O-N 2.95Å
330	P	94	Very high	93.9	Very high	72 Å²	72	41.4 Å²	41.4	47%	0.468	23%	0.232	S	C	.	.			trans	-56.5	148.5	174.4	-22.5	32.7	0	0	0	112.3	I180 D319 Q332	I180-P330 HydrophobicContact CB-CG 4.42Å; I180-P330 HydrophobicContact CD1-CG 4.34Å; D319-P330 WeakPolarHBondContact OD1-CA 3.32Å; P330-Q332 PolarHBondContact O-N 3.35Å
331	Q	88.7	Confident	94	Very high	14 Å²	14	39 Å²	39	7%	0.065	22%	0.223	C	C	.	.			trans	-44.3	123.1	168.9	-167.1	-174.4	68.3	0	0	112.8	I318 D319 R352	I318-Q331 VanDerWaalsContact O-CB 3.26Å; I318-Q331 WeakPolarHBondContact O-CB 3.4Å; I318-Q331 WeakPolarHBondContact O-CG 3.5Å; D319-Q331 PolarHBondContact OD1-N 2.76Å; Q331-R352 VanDerWaalsContact CG-CZ 3.4Å
332	Q	84.6	Confident	94	Very high	130 Å²	130	39 Å²	39	61%	0.607	22%	0.223	S	C	*	.	S	Bend	trans	-80.2	160.8	-177.5	-64.1	-174.7	-11.1	0	0	113.4	P330 R352	P330-Q332 PolarHBondContact O-N 3.35Å; Q332-R352 PolarHBondContact O-NE 2.95Å; Q332-R352 PolarHBondContact O-NH2 2.97Å
333	G	83.6	Confident	94	Very high	50 Å²	50	37.5 Å²	37.5	52%	0.515	22%	0.215	S	C	.	.	S	Bend	trans	75.5	25	169.9	0	0	0	0	0	115.7	A340	G333-A340 VanDerWaalsContact O-CB 3.3Å; G333-A340 WeakPolarHBondContact O-CB 3.19Å
334	G	87.8	Confident	94.1	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	22%	0.215	C	C	.	.			trans	-85.8	-177.5	168.4	0	0	0	0	0	113.5	L339	G334-L339 CarbonylContact C-O 3.47Å; G334-L339 VanDerWaalsContact CA-O 3.25Å; G334-L339 WeakPolarHBondContact CA-O 3.38Å
335	D	93.3	Very high	94.1	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	21%	0.206	C	C	.	.			trans	-71.7	-163.5	168.7	68.9	-6.6	0	0	0	112.1	D337 G338 L339 P354 L355 K360	D335-D337 PolarHBondContact O-N 2.94Å; D335-D337 WeakPolarHBondContact OD1-CA 3.4Å; D335-D337 PolarHBondContact OD1-N 2.86Å; D335-G338 PolarHBondContact O-N 2.96Å; D335-G338 PolarHBondContact OD1-N 2.94Å; D335-G338 VanDerWaalsContact OD1-N 3.11Å; D335-L339 PolarHBondContact N-O 3.31Å; D335-L339 WeakPolarHBondContact OD1-CA 3.45Å; D335-L339 WeakPolarHBondContact OD1-CB 3.5Å; D335-L339 PolarHBondContact OD1-N 3.21Å; D335-P354 HydrophobicContact CB-CB 4.08Å; D335-L355 HydrophobicContact CB-CB 4.48Å; D335-K360 WeakPolarHBondContact OD2-CE 3.31Å; D335-K360 IonicContact OD2-NZ 3.93Å; D335-K360 PolarHBondContact OD2-NZ 2.94Å
336	E	93.2	Very high	94	Very high	143 Å²	143	33.2 Å²	33.2	67%	0.668	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.9	177.3	65.5	-87.7	-160.6	0	0	114.6	K360	E336-K360 IonicContact OE1-NZ 3.55Å; E336-K360 PolarHBondContact OE1-NZ 2.95Å; E336-K360 IonicContact OE2-NZ 3.43Å; E336-K360 PolarHBondContact OE2-NZ 2.94Å
337	D	92.9	Very high	93.9	Very high	59 Å²	59	33.8 Å²	33.8	32%	0.316	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	8	175.3	-63.5	-47.1	0	0	0	111.6	H182 D335 L339 T366	H182-D337 PolarHBondContact CE1-O 3.38Å; H182-D337 PolarHBondContact NE2-O 2.92Å; D335-D337 PolarHBondContact O-N 2.94Å; D335-D337 WeakPolarHBondContact OD1-CA 3.4Å; D335-D337 PolarHBondContact OD1-N 2.86Å; D337-L339 HydrophobicContact CB-CD1 4.25Å; D337-L339 HydrophobicContact CB-CG 4.02Å; D337-L339 PolarHBondContact O-N 2.73Å; D337-T366 HydrophobicContact CB-CG2 4.14Å; D337-T366 WeakPolarHBondContact OD2-CG2 3.4Å
338	G	94.1	Very high	93.9	Very high	29 Å²	29	32.7 Å²	32.7	30%	0.299	19%	0.191	S	C	.	.	S	Bend	trans	67.4	21.6	-177	0	0	0	0	0	113.9	D335	D335-G338 PolarHBondContact O-N 2.96Å; D335-G338 PolarHBondContact OD1-N 2.94Å; D335-G338 VanDerWaalsContact OD1-N 3.11Å
339	L	96.6	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.			trans	-95.6	125.8	178	-54.3	-177.8	0	0	0	110.5	L317 G334 D335 D337 L355 T366 Y370 P422	L317-L339 HydrophobicContact CD1-CD2 3.81Å; G334-L339 CarbonylContact C-O 3.47Å; G334-L339 VanDerWaalsContact CA-O 3.25Å; G334-L339 WeakPolarHBondContact CA-O 3.38Å; D335-L339 PolarHBondContact N-O 3.31Å; D335-L339 WeakPolarHBondContact OD1-CA 3.45Å; D335-L339 WeakPolarHBondContact OD1-CB 3.5Å; D335-L339 PolarHBondContact OD1-N 3.21Å; D337-L339 HydrophobicContact CB-CD1 4.25Å; D337-L339 HydrophobicContact CB-CG 4.02Å; D337-L339 PolarHBondContact O-N 2.73Å; L339-L355 HydrophobicContact CB-CB 4.01Å; L339-L355 HydrophobicContact CB-CD2 3.88Å; L339-L355 HydrophobicContact CD1-CD2 3.73Å; L339-L355 HydrophobicContact CG-CD2 4.48Å; L339-L355 WeakPolarHBondContact O-CB 3.04Å; L339-L355 PolarHBondContact O-N 3.43Å; L339-T366 HydrophobicContact CD1-CG2 4.4Å; L339-Y370 HydrophobicContact CB-CE1 4.22Å; L339-Y370 HydrophobicContact CD1-CE1 4.31Å; L339-Y370 HydrophobicContact CD2-CE1 4.12Å; L339-Y370 HydrophobicContact CG-CE1 4.46Å; L339-P422 HydrophobicContact CD2-CB 4.18Å; L339-P422 HydrophobicContact CD2-CG 4.14Å
340	A	96.8	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.3	175.9	0	0	0	0	0	111.9	G333 R352 V353 Y370 F420	G333-A340 VanDerWaalsContact O-CB 3.3Å; G333-A340 WeakPolarHBondContact O-CB 3.19Å; A340-R352 HydrophobicContact CB-CB 4.41Å; A340-V353 CarbonylContact C-O 3.47Å; A340-V353 VanDerWaalsContact CA-O 3.31Å; A340-V353 WeakPolarHBondContact CA-O 2.99Å; A340-V353 WeakPolarHBondContact CB-O 3.43Å; A340-Y370 PolarHBondContact N-OH 3.42Å; A340-Y370 WeakPolarHBondContact O-CE2 3.29Å; A340-Y370 PolarHBondContact O-OH 2.02Å; A340-F420 VanDerWaalsContact O-CD2 3.29Å; A340-F420 WeakPolarHBondContact O-CD2 3.39Å
341	R	97.6	Very high	94	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	144.9	176.2	-53.3	168.8	77.7	-148.9	-2.9	109	R352 V353 L355 Y370 R371 I505 D508	R341-R352 WeakPolarHBondContact O-CA 3.3Å; R341-V353 HydrophobicContact CB-CG2 4.11Å; R341-V353 PolarHBondContact N-O 3.09Å; R341-V353 PolarHBondContact O-N 2.8Å; R341-L355 HydrophobicContact CG-CD1 3.76Å; R341-Y370 HydrophobicContact CG-CD2 4.21Å; R341-Y370 HydrophobicContact CG-CE2 4.01Å; R341-R371 PolarHBondContact NE-O 3.29Å; R341-R371 PolarHBondContact NH2-O 2.89Å; R341-I505 PolarHBondContact NH2-O 2.91Å; R341-D508 IonicContact CZ-OD1 2.91Å; R341-D508 IonicContact CZ-OD2 3.12Å; R341-D508 IonicContact NH1-OD1 2.66Å; R341-D508 PolarHBondContact NH1-OD1 3.1Å; R341-D508 IonicContact NH1-OD2 2.7Å; R341-D508 PolarHBondContact NH1-OD2 3.22Å
342	G	98	Very high	94.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132	171.5	0	0	0	0	0	111.1	S372 P373 A374	G342-S372 PolarHBondContact N-OG 3.49Å; G342-P373 VanDerWaalsContact O-CD 3.31Å; G342-P373 WeakPolarHBondContact O-CD 3.25Å; G342-A374 WeakPolarHBondContact CA-O 3.47Å; G342-A374 PolarHBondContact O-N 3.38Å
343	A	98.2	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	-176.2	-177.4	0	0	0	0	0	110.5	K351 V353 I509	A343-K351 CarbonylContact C-O 3.46Å; A343-K351 HydrophobicContact CB-CB 4.21Å; A343-K351 PolarHBondContact N-O 2.79Å; A343-K351 PolarHBondContact O-N 3.12Å; A343-K351 VanDerWaalsContact O-O 3.11Å; A343-V353 HydrophobicContact CB-CG1 3.91Å; A343-V353 HydrophobicContact CB-CG2 4.16Å; A343-I509 HydrophobicContact CB-CD1 4.14Å; A343-I509 HydrophobicContact CB-CG1 4.1Å
344	W	98.1	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.6	170.9	57.8	95.5	0	0	0	110.9	L349 P373 A374 F405 Y409 W461 F498 F501 M502 A506 I509 Y513	W344-L349 WeakPolarHBondContact CA-O 3.46Å; W344-L349 WeakPolarHBondContact CB-O 3.23Å; W344-P373 HydrophobicContact CH2-CB 4.1Å; W344-P373 HydrophobicContact CZ3-CB 3.77Å; W344-A374 HydrophobicContact CE3-CB 4.02Å; W344-A374 HydrophobicContact CZ3-CB 3.95Å; W344-F405 HydrophobicContact CB-CE1 3.69Å; W344-F405 HydrophobicContact CB-CZ 3.78Å; W344-F405 HydrophobicContact CD2-CE1 4.34Å; W344-F405 HydrophobicContact CE3-CD1 4.14Å; W344-F405 AromaticContact CE3-CE1 3.97Å; W344-F405 HydrophobicContact CE3-CE1 3.97Å; W344-F405 HydrophobicContact CG-CE1 4.25Å; W344-Y409 HydrophobicContact CE3-CE1 4.47Å; W344-Y409 AromaticContact CH2-CE1 3.84Å; W344-Y409 HydrophobicContact CH2-CE1 3.84Å; W344-Y409 HydrophobicContact CZ2-CE1 4.1Å; W344-Y409 AromaticContact CZ3-CE1 3.98Å; W344-Y409 HydrophobicContact CZ3-CE1 3.98Å; W344-W461 AromaticContact CD1-CH2 3.64Å; W344-W461 AromaticContact CD1-CZ2 3.58Å; W344-W461 HydrophobicContact CG-CZ2 4.47Å; W344-W461 AromaticContact NE1-CH2 3.52Å; W344-W461 AromaticContact NE1-CZ2 3.26Å; W344-W461 VanDerWaalsContact NE1-CZ2 3.26Å; W344-F498 AromaticContact CZ2-CZ 3.91Å; W344-F498 HydrophobicContact CZ2-CZ 3.91Å; W344-F501 HydrophobicContact CH2-CD1 4.47Å; W344-F501 AromaticContact CH2-CE1 3.28Å; W344-F501 HydrophobicContact CH2-CE1 3.28Å; W344-F501 AromaticContact CH2-CZ 3.55Å; W344-F501 HydrophobicContact CH2-CZ 3.55Å; W344-F501 AromaticContact CZ2-CE1 3.83Å; W344-F501 HydrophobicContact CZ2-CE1 3.83Å; W344-F501 HydrophobicContact CZ3-CE1 4.27Å; W344-F501 HydrophobicContact CZ3-CZ 4.16Å; W344-M502 HydrophobicContact CH2-SD 4.43Å; W344-M502 HydrophobicContact CZ2-SD 3.78Å; W344-A506 HydrophobicContact CH2-CB 3.98Å; W344-I509 HydrophobicContact CD2-CD1 3.84Å; W344-I509 HydrophobicContact CE3-CD1 3.65Å; W344-I509 HydrophobicContact CH2-CD1 3.2Å; W344-I509 HydrophobicContact CZ2-CD1 3.5Å; W344-I509 HydrophobicContact CZ3-CD1 3.33Å; W344-I509 WeakPolarHBondContact O-CG2 3.34Å; W344-Y513 WeakPolarHBondContact O-CD2 3.33Å
345	D	96	Very high	96	Very high	19 Å²	19	29.4 Å²	29.4	10%	0.102	15%	0.149	C	C	.	.			trans	-89.9	170	159.9	64.8	26.8	0	0	0	110.9	S347 L348 L349 K351 Y513	D345-S347 PolarHBondContact O-N 2.87Å; D345-S347 WeakPolarHBondContact OD1-CA 3.15Å; D345-S347 VanDerWaalsContact OD1-CB 3.23Å; D345-S347 WeakPolarHBondContact OD1-CB 3.48Å; D345-S347 PolarHBondContact OD1-N 2.68Å; D345-L348 WeakPolarHBondContact O-CA 3.17Å; D345-L348 PolarHBondContact O-N 2.6Å; D345-L348 PolarHBondContact OD1-N 2.98Å; D345-L349 PolarHBondContact N-O 3.46Å; D345-L349 VanDerWaalsContact N-O 3.17Å; D345-L349 WeakPolarHBondContact OD1-CB 3.45Å; D345-L349 PolarHBondContact OD1-N 2.8Å; D345-K351 HydrophobicContact CB-CG 4.33Å; D345-K351 WeakPolarHBondContact OD2-CE 3.03Å; D345-K351 IonicContact OD2-NZ 3.5Å; D345-K351 PolarHBondContact OD2-NZ 2.74Å; D345-Y513 HydrophobicContact CB-CD1 4.09Å; D345-Y513 HydrophobicContact CB-CG 4.25Å
346	W	96.3	Very high	96.1	Very high	8 Å²	8	29.4 Å²	29.4	3%	0.03	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	0.8	-178.9	-56.8	98.2	0	0	0	113.9	L348 W461 Y464 Y467 F468 S471 M502 P510 Y513 P514 L515 P516	W346-L348 VanDerWaalsContact C-N 3.31Å; W346-W461 HydrophobicContact CE3-CH2 4.08Å; W346-W461 AromaticContact CE3-CZ3 3.79Å; W346-W461 HydrophobicContact CE3-CZ3 3.79Å; W346-W461 HydrophobicContact CZ3-CH2 4.4Å; W346-W461 HydrophobicContact CZ3-CZ3 4.13Å; W346-Y464 AromaticContact CH2-CD1 3.72Å; W346-Y464 HydrophobicContact CH2-CD1 3.72Å; W346-Y464 HydrophobicContact CH2-CE1 4.12Å; W346-Y464 AromaticContact CZ3-CD1 3.71Å; W346-Y464 HydrophobicContact CZ3-CD1 3.71Å; W346-Y467 HydrophobicContact CE3-CD2 4.31Å; W346-Y467 HydrophobicContact CE3-CG 4.28Å; W346-Y467 HydrophobicContact CZ3-CD2 4.21Å; W346-F468 VanDerWaalsContact O-CA 3.3Å; W346-F468 WeakPolarHBondContact O-CA 3.48Å; W346-S471 WeakPolarHBondContact CB-OG 3.25Å; W346-S471 WeakPolarHBondContact O-CB 3.32Å; W346-S471 PolarHBondContact O-OG 2.67Å; W346-M502 HydrophobicContact CH2-CE 3.8Å; W346-M502 HydrophobicContact CH2-SD 4.38Å; W346-M502 HydrophobicContact CZ2-CE 4.23Å; W346-P510 HydrophobicContact CZ2-CG 4.36Å; W346-Y513 PolarHBondContact NE1-O 2.94Å; W346-P514 PolarHBondContact NE1-O 3.24Å; W346-L515 HydrophobicContact CD2-CD2 4.12Å; W346-L515 HydrophobicContact CE3-CD2 4.33Å; W346-L515 HydrophobicContact CH2-CD2 3.43Å; W346-L515 VanDerWaalsContact CH2-CD2 3.43Å; W346-L515 HydrophobicContact CZ2-CD2 3.15Å; W346-L515 HydrophobicContact CZ2-CG 4.13Å; W346-L515 HydrophobicContact CZ3-CD2 4.02Å; W346-P516 HydrophobicContact CB-CG 3.87Å; W346-P516 VanDerWaalsContact CG-CD 3.41Å; W346-P516 HydrophobicContact CG-CG 4.12Å
347	S	95	Very high	96.2	Very high	13 Å²	13	28.7 Å²	28.7	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.8	166	-76.2	0	0	0	0	112.8	D345 L349 S471 R472	D345-S347 PolarHBondContact O-N 2.87Å; D345-S347 WeakPolarHBondContact OD1-CA 3.15Å; D345-S347 VanDerWaalsContact OD1-CB 3.23Å; D345-S347 WeakPolarHBondContact OD1-CB 3.48Å; D345-S347 PolarHBondContact OD1-N 2.68Å; S347-L349 PolarHBondContact O-N 3.23Å; S347-S471 WeakPolarHBondContact OG-CB 3.43Å; S347-R472 PolarHBondContact O-NE 2.8Å; S347-R472 PolarHBondContact O-NH2 2.98Å
348	L	96.3	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.			trans	57.2	33.3	-174.5	-156.3	70.3	0	0	0	112.9	D345 W346 F405 Y453 V457 W461 F468	D345-L348 WeakPolarHBondContact O-CA 3.17Å; D345-L348 PolarHBondContact O-N 2.6Å; D345-L348 PolarHBondContact OD1-N 2.98Å; W346-L348 VanDerWaalsContact C-N 3.31Å; L348-F405 HydrophobicContact CD1-CB 4.4Å; L348-F405 HydrophobicContact CD1-CD2 3.88Å; L348-F405 HydrophobicContact CD1-CE2 4.24Å; L348-F405 HydrophobicContact CD1-CG 4.02Å; L348-F405 HydrophobicContact CD2-CD2 4.2Å; L348-F405 HydrophobicContact CG-CD2 3.68Å; L348-F405 HydrophobicContact CG-CE2 3.9Å; L348-F405 HydrophobicContact CG-CG 4.32Å; L348-F405 VanDerWaalsContact O-CE2 3.3Å; L348-F405 WeakPolarHBondContact O-CE2 3.48Å; L348-Y453 HydrophobicContact CB-CD2 4.27Å; L348-Y453 HydrophobicContact CB-CG 4.29Å; L348-Y453 HydrophobicContact CD2-CD1 3.65Å; L348-Y453 HydrophobicContact CD2-CE1 4.38Å; L348-Y453 HydrophobicContact CD2-CG 3.72Å; L348-Y453 HydrophobicContact CG-CD1 4.39Å; L348-Y453 HydrophobicContact CG-CG 4.45Å; L348-V457 HydrophobicContact CD2-CG2 4.28Å; L348-W461 HydrophobicContact CD1-CH2 3.85Å; L348-W461 HydrophobicContact CD1-CZ2 3.25Å; L348-F468 HydrophobicContact CB-CD2 4.19Å; L348-F468 HydrophobicContact CB-CE2 4.04Å
349	L	95.7	Very high	96.4	Very high	65 Å²	65	29.1 Å²	29.1	34%	0.34	14%	0.139	S	C	.	.			trans	-89.5	139.3	170.4	-62.7	177.8	0	0	0	110	W344 D345 S347 K351 R472	W344-L349 WeakPolarHBondContact CA-O 3.46Å; W344-L349 WeakPolarHBondContact CB-O 3.23Å; D345-L349 PolarHBondContact N-O 3.46Å; D345-L349 VanDerWaalsContact N-O 3.17Å; D345-L349 WeakPolarHBondContact OD1-CB 3.45Å; D345-L349 PolarHBondContact OD1-N 2.8Å; S347-L349 PolarHBondContact O-N 3.23Å; L349-K351 PolarHBondContact O-N 3.43Å; L349-R472 VanDerWaalsContact CD2-NH2 3.29Å
350	W	96.3	Very high	96.4	Very high	98 Å²	98	30.5 Å²	30.5	37%	0.371	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133	176.8	-179.8	81.9	0	0	0	111.6	R352 A376 F405	W350-R352 HydrophobicContact CH2-CG 3.42Å; W350-R352 VanDerWaalsContact CH2-CG 3.42Å; W350-R352 HydrophobicContact CZ2-CG 3.45Å; W350-R352 VanDerWaalsContact CZ2-CG 3.45Å; W350-R352 HydrophobicContact CZ3-CG 3.98Å; W350-A376 HydrophobicContact CZ2-CB 4.07Å; W350-F405 HydrophobicContact CB-CZ 4.15Å
351	K	95.8	Very high	96.3	Very high	52 Å²	52	34.7 Å²	34.7	23%	0.226	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	169.5	177.4	-61.4	-63.8	-179.3	-179.2	0	109.4	A343 D345 L349 Y513	A343-K351 CarbonylContact C-O 3.46Å; A343-K351 HydrophobicContact CB-CB 4.21Å; A343-K351 PolarHBondContact N-O 2.79Å; A343-K351 PolarHBondContact O-N 3.12Å; A343-K351 VanDerWaalsContact O-O 3.11Å; D345-K351 HydrophobicContact CB-CG 4.33Å; D345-K351 WeakPolarHBondContact OD2-CE 3.03Å; D345-K351 IonicContact OD2-NZ 3.5Å; D345-K351 PolarHBondContact OD2-NZ 2.74Å; L349-K351 PolarHBondContact O-N 3.43Å; K351-Y513 HydrophobicContact CB-CD2 4.42Å; K351-Y513 HydrophobicContact CB-CE2 3.49Å; K351-Y513 VanDerWaalsContact CB-CE2 3.49Å; K351-Y513 WeakPolarHBondContact CB-OH 3.38Å; K351-Y513 HydrophobicContact CD-CE1 4.01Å; K351-Y513 HydrophobicContact CD-CE2 4.49Å; K351-Y513 HydrophobicContact CG-CD2 4.4Å; K351-Y513 HydrophobicContact CG-CE1 3.96Å; K351-Y513 HydrophobicContact CG-CE2 3.71Å; K351-Y513 VanDerWaalsContact CG-CZ 3.48Å
352	R	95.9	Very high	96.2	Very high	48 Å²	48	38.9 Å²	38.9	18%	0.181	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.9	172.6	-57.9	164.3	58	84.4	9.4	108.4	Q331 Q332 A340 R341 W350	Q331-R352 VanDerWaalsContact CG-CZ 3.4Å; Q332-R352 PolarHBondContact O-NE 2.95Å; Q332-R352 PolarHBondContact O-NH2 2.97Å; A340-R352 HydrophobicContact CB-CB 4.41Å; R341-R352 WeakPolarHBondContact O-CA 3.3Å; W350-R352 HydrophobicContact CH2-CG 3.42Å; W350-R352 VanDerWaalsContact CH2-CG 3.42Å; W350-R352 HydrophobicContact CZ2-CG 3.45Å; W350-R352 VanDerWaalsContact CZ2-CG 3.45Å; W350-R352 HydrophobicContact CZ3-CG 3.98Å
353	V	96.3	Very high	96.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.4	171.8	-62.4	0	0	0	0	109.1	A340 R341 A343 H512 Y513	A340-V353 CarbonylContact C-O 3.47Å; A340-V353 VanDerWaalsContact CA-O 3.31Å; A340-V353 WeakPolarHBondContact CA-O 2.99Å; A340-V353 WeakPolarHBondContact CB-O 3.43Å; R341-V353 HydrophobicContact CB-CG2 4.11Å; R341-V353 PolarHBondContact N-O 3.09Å; R341-V353 PolarHBondContact O-N 2.8Å; A343-V353 HydrophobicContact CB-CG1 3.91Å; A343-V353 HydrophobicContact CB-CG2 4.16Å; V353-H512 HydrophobicContact CG1-CB 3.79Å; V353-Y513 HydrophobicContact CG1-CE2 3.93Å
354	P	97.2	Very high	95.9	Very high	52 Å²	52	47.8 Å²	47.8	34%	0.338	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	152.3	174.6	-25.3	34.9	0	0	0	112	D335 S356	D335-P354 HydrophobicContact CB-CB 4.08Å; P354-S356 PolarHBondContact O-N 2.58Å; P354-S356 VanDerWaalsContact O-N 3.12Å
355	L	96.8	Very high	95.8	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-62.7	116.4	175.5	-175.4	61.8	0	0	0	110.9	D335 L339 R341 E359 K360 Y370	D335-L355 HydrophobicContact CB-CB 4.48Å; L339-L355 HydrophobicContact CB-CB 4.01Å; L339-L355 HydrophobicContact CB-CD2 3.88Å; L339-L355 HydrophobicContact CD1-CD2 3.73Å; L339-L355 HydrophobicContact CG-CD2 4.48Å; L339-L355 WeakPolarHBondContact O-CB 3.04Å; L339-L355 PolarHBondContact O-N 3.43Å; R341-L355 HydrophobicContact CG-CD1 3.76Å; L355-E359 HydrophobicContact CD1-CB 3.5Å; L355-E359 HydrophobicContact CD1-CG 4.03Å; L355-E359 HydrophobicContact CG-CB 4.21Å; L355-K360 HydrophobicContact CD2-CG 4.16Å; L355-K360 HydrophobicContact CG-CG 4.2Å; L355-K360 WeakPolarHBondContact O-CE 3.48Å; L355-Y370 HydrophobicContact CD1-CD2 3.47Å; L355-Y370 VanDerWaalsContact CD1-CD2 3.47Å; L355-Y370 HydrophobicContact CD1-CE2 3.96Å; L355-Y370 HydrophobicContact CD1-CG 3.9Å; L355-Y370 HydrophobicContact CD2-CD1 4.35Å; L355-Y370 HydrophobicContact CD2-CD2 4.44Å; L355-Y370 HydrophobicContact CD2-CG 4.22Å
356	S	95.6	Very high	95.8	Very high	22 Å²	22	52.2 Å²	52.2	15%	0.154	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.4	152.9	-178	74.6	0	0	0	0	113.2	P354 K358 E359 K360 Y507	P354-S356 PolarHBondContact O-N 2.58Å; P354-S356 VanDerWaalsContact O-N 3.12Å; S356-K358 PolarHBondContact O-N 3.42Å; S356-E359 PolarHBondContact O-N 2.69Å; S356-E359 VanDerWaalsContact O-N 3.1Å; S356-E359 PolarHBondContact OG-N 2.79Å; S356-K360 PolarHBondContact O-N 3Å; S356-K360 VanDerWaalsContact O-N 3.08Å; S356-Y507 PolarHBondContact OG-OH 2.84Å
357	Q	94.8	Very high	95.9	Very high	128 Å²	128	52 Å²	52	60%	0.598	26%	0.264	S	S	*	.	H	α-helix	trans	-59.5	-32.4	175.7	-66.5	-60.8	-24.8	0	0	113.1	K360 A361	Q357-K360 PolarHBondContact O-N 3.27Å; Q357-A361 WeakPolarHBondContact O-CB 3.27Å; Q357-A361 PolarHBondContact O-N 3.44Å
358	K	95.3	Very high	96	Very high	96 Å²	96	53.7 Å²	53.7	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-43.8	175	173.8	174.9	170.7	-166.5	0	111.4	S356 T362 Y507	S356-K358 PolarHBondContact O-N 3.42Å; K358-T362 WeakPolarHBondContact O-CG2 3.47Å; K358-Y507 HydrophobicContact CB-CE2 4.25Å; K358-Y507 WeakPolarHBondContact CB-OH 3.23Å; K358-Y507 HydrophobicContact CD-CD1 4.28Å; K358-Y507 HydrophobicContact CD-CE1 3.72Å; K358-Y507 HydrophobicContact CD-CE2 4.05Å; K358-Y507 HydrophobicContact CG-CE1 4.4Å
359	E	96.1	Very high	96.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-68.9	-37.5	174.5	-73.6	-56.5	115.8	0	0	112.1	L355 S356 A361 T362 R363 R371	L355-E359 HydrophobicContact CD1-CB 3.5Å; L355-E359 HydrophobicContact CD1-CG 4.03Å; L355-E359 HydrophobicContact CG-CB 4.21Å; S356-E359 PolarHBondContact O-N 2.69Å; S356-E359 VanDerWaalsContact O-N 3.1Å; S356-E359 PolarHBondContact OG-N 2.79Å; E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A361 PolarHBondContact O-N 3.42Å; E359-T362 PolarHBondContact O-N 3.03Å; E359-T362 PolarHBondContact O-OG1 2.83Å; E359-R363 PolarHBondContact O-NE 2.94Å; E359-R371 IonicContact OE1-CZ 2.98Å; E359-R371 VanDerWaalsContact OE1-CZ 3.29Å; E359-R371 IonicContact OE1-NE 2.75Å; E359-R371 PolarHBondContact OE1-NE 2.88Å; E359-R371 VanDerWaalsContact OE1-NE 3.15Å; E359-R371 IonicContact OE1-NH2 3.78Å; E359-R371 PolarHBondContact OE1-NH2 3.35Å; E359-R371 WeakPolarHBondContact OE2-CB 3.46Å; E359-R371 IonicContact OE2-CZ 2.68Å; E359-R371 PolarHBondContact OE2-N 3.45Å; E359-R371 IonicContact OE2-NE 3.34Å; E359-R371 PolarHBondContact OE2-NE 2.89Å; E359-R371 VanDerWaalsContact OE2-NE 3.15Å; E359-R371 IonicContact OE2-NH2 3.42Å
360	K	95.8	Very high	96.2	Very high	29 Å²	29	53 Å²	53	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-45.7	175.4	-65.7	-177.5	-177.5	-163.5	0	112	D335 E336 L355 S356 Q357 T362 R363	D335-K360 WeakPolarHBondContact OD2-CE 3.31Å; D335-K360 IonicContact OD2-NZ 3.93Å; D335-K360 PolarHBondContact OD2-NZ 2.94Å; E336-K360 IonicContact OE1-NZ 3.55Å; E336-K360 PolarHBondContact OE1-NZ 2.95Å; E336-K360 IonicContact OE2-NZ 3.43Å; E336-K360 PolarHBondContact OE2-NZ 2.94Å; L355-K360 HydrophobicContact CD2-CG 4.16Å; L355-K360 HydrophobicContact CG-CG 4.2Å; L355-K360 WeakPolarHBondContact O-CE 3.48Å; S356-K360 PolarHBondContact O-N 3Å; S356-K360 VanDerWaalsContact O-N 3.08Å; Q357-K360 PolarHBondContact O-N 3.27Å; K360-T362 PolarHBondContact O-N 3.4Å; K360-R363 PolarHBondContact O-N 2.82Å; K360-R363 VanDerWaalsContact O-N 3.14Å
361	A	96.2	Very high	96.3	Very high	88 Å²	88	51.5 Å²	51.5	73%	0.727	26%	0.264	S	S	*	.	H	α-helix	trans	-65.1	-21.1	-178.3	0	0	0	0	0	114.2	Q357 E359 R363	Q357-A361 WeakPolarHBondContact O-CB 3.27Å; Q357-A361 PolarHBondContact O-N 3.44Å; E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A361 PolarHBondContact O-N 3.42Å; A361-R363 VanDerWaalsContact C-N 3.3Å
362	T	94.4	Very high	96.5	Very high	89 Å²	89	49 Å²	49	55%	0.546	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.1	177.2	62.5	0	0	0	0	113.9	K358 E359 K360	K358-T362 WeakPolarHBondContact O-CG2 3.47Å; E359-T362 PolarHBondContact O-N 3.03Å; E359-T362 PolarHBondContact O-OG1 2.83Å; K360-T362 PolarHBondContact O-N 3.4Å
363	R	95.2	Very high	96.6	Very high	32 Å²	32	46.8 Å²	46.8	12%	0.121	24%	0.244	C	C	.	.			trans	-110.6	142.3	-173	-61.8	177.5	-58.4	130.8	13.2	110.2	E359 K360 A361 T366 E368	E359-R363 PolarHBondContact O-NE 2.94Å; K360-R363 PolarHBondContact O-N 2.82Å; K360-R363 VanDerWaalsContact O-N 3.14Å; A361-R363 VanDerWaalsContact C-N 3.3Å; R363-T366 PolarHBondContact NH1-O 2.84Å; R363-E368 HydrophobicContact CB-CB 4.46Å; R363-E368 HydrophobicContact CG-CB 4.49Å; R363-E368 PolarHBondContact NH1-O 2.8Å
364	K	95.3	Very high	96.7	Very high	155 Å²	155	46.7 Å²	46.7	67%	0.674	24%	0.244	S	C	*	.	S	Bend	trans	-82.6	-34.9	178.2	-175	179.3	177.3	-162.7	0	111.3	E368	K364-E368 PolarHBondContact N-OE2 2.98Å
365	Y	96.3	Very high	96.8	Very high	57 Å²	57	44.2 Å²	44.2	22%	0.224	23%	0.228	C	C	.	.	S	Bend	trans	-125.8	149.4	-178.4	-53.3	-76.7	0	0	0	110.9	L115 W188 T367 E368	L115-Y365 HydrophobicContact CB-CD2 4.46Å; L115-Y365 HydrophobicContact CB-CE1 4.49Å; L115-Y365 HydrophobicContact CB-CE2 4.18Å; L115-Y365 HydrophobicContact CD2-CD1 3.4Å; L115-Y365 VanDerWaalsContact CD2-CD1 3.4Å; L115-Y365 HydrophobicContact CD2-CD2 4.4Å; L115-Y365 HydrophobicContact CD2-CE1 3.52Å; L115-Y365 HydrophobicContact CD2-CE2 4.49Å; L115-Y365 HydrophobicContact CD2-CG 3.88Å; W188-Y365 AromaticContact CH2-CD2 3.65Å; W188-Y365 HydrophobicContact CH2-CD2 3.65Å; W188-Y365 HydrophobicContact CH2-CE2 4.23Å; W188-Y365 HydrophobicContact CH2-CG 4.36Å; W188-Y365 HydrophobicContact CZ2-CD2 4.06Å; W188-Y365 HydrophobicContact CZ2-CG 4.32Å; Y365-T367 PolarHBondContact O-N 3.35Å; Y365-E368 HydrophobicContact CD2-CG 4.3Å; Y365-E368 WeakPolarHBondContact CD2-OE1 3.28Å; Y365-E368 PolarHBondContact N-OE2 3.3Å; Y365-E368 VanDerWaalsContact N-OE2 3.16Å; Y365-E368 PolarHBondContact O-N 3.12Å
366	T	95.6	Very high	96.7	Very high	56 Å²	56	45.6 Å²	45.6	34%	0.344	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.6	-176.8	-59.5	0	0	0	0	111.8	E184 D337 L339 R363	E184-T366 PolarHBondContact OE2-N 3.06Å; D337-T366 HydrophobicContact CB-CG2 4.14Å; D337-T366 WeakPolarHBondContact OD2-CG2 3.4Å; L339-T366 HydrophobicContact CD1-CG2 4.4Å; R363-T366 PolarHBondContact NH1-O 2.84Å
367	T	97.2	Very high	96.5	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.025	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.9	-173.7	58.6	0	0	0	0	115.4	H182 E184 W188 Y365 C423	H182-T367 HydrophobicContact CB-CG2 3.5Å; E184-T367 HydrophobicContact CB-CG2 3.83Å; E184-T367 HydrophobicContact CG-CG2 4.3Å; E184-T367 WeakPolarHBondContact CG-OG1 3.44Å; E184-T367 WeakPolarHBondContact OE2-CB 3.43Å; E184-T367 WeakPolarHBondContact OE2-CG2 3.01Å; E184-T367 PolarHBondContact OE2-N 2.87Å; E184-T367 VanDerWaalsContact OE2-N 3.09Å; E184-T367 PolarHBondContact OE2-OG1 2.75Å; W188-T367 PolarHBondContact NE1-OG1 3.18Å; Y365-T367 PolarHBondContact O-N 3.35Å; T367-C423 VanDerWaalsContact CB-SG 3.58Å
368	E	97.7	Very high	96.4	Very high	48 Å²	48	38.9 Å²	38.9	22%	0.224	21%	0.209	C	C	.	.	S	Bend	trans	-65.4	145.8	171.5	-75.8	175.5	152	0	0	111.5	W188 R363 K364 Y365	W188-E368 HydrophobicContact CH2-CG 3.71Å; W188-E368 HydrophobicContact CZ2-CG 3.83Å; R363-E368 HydrophobicContact CB-CB 4.46Å; R363-E368 HydrophobicContact CG-CB 4.49Å; R363-E368 PolarHBondContact NH1-O 2.8Å; K364-E368 PolarHBondContact N-OE2 2.98Å; Y365-E368 HydrophobicContact CD2-CG 4.3Å; Y365-E368 WeakPolarHBondContact CD2-OE1 3.28Å; Y365-E368 PolarHBondContact N-OE2 3.3Å; Y365-E368 VanDerWaalsContact N-OE2 3.16Å; Y365-E368 PolarHBondContact O-N 3.12Å
369	P	98.4	Very high	96.5	Very high	46 Å²	46	34.4 Å²	34.4	30%	0.299	19%	0.19	S	C	.	.			trans	-52.4	145.3	172.1	-25	33.7	0	0	0	112.5	P305 L419 F420 V421	P305-P369 HydrophobicContact CG-CG 4.01Å; P369-L419 HydrophobicContact CB-CB 4.15Å; P369-L419 HydrophobicContact CB-CD1 4.14Å; P369-F420 CarbonylContact C-O 3.58Å; P369-F420 VanDerWaalsContact CA-O 3.24Å; P369-F420 WeakPolarHBondContact CA-O 3.34Å; P369-V421 HydrophobicContact CB-CG2 4.28Å; P369-V421 HydrophobicContact CG-CG1 4.41Å; P369-V421 HydrophobicContact CG-CG2 4.3Å
370	Y	98.5	Very high	96.7	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155	-178.1	61.2	-91.6	0	0	0	112	L317 L339 A340 R341 L355 L419 F420 P422	L317-Y370 WeakPolarHBondContact CD2-OH 3.24Å; L339-Y370 HydrophobicContact CB-CE1 4.22Å; L339-Y370 HydrophobicContact CD1-CE1 4.31Å; L339-Y370 HydrophobicContact CD2-CE1 4.12Å; L339-Y370 HydrophobicContact CG-CE1 4.46Å; A340-Y370 PolarHBondContact N-OH 3.42Å; A340-Y370 WeakPolarHBondContact O-CE2 3.29Å; A340-Y370 PolarHBondContact O-OH 2.02Å; R341-Y370 HydrophobicContact CG-CD2 4.21Å; R341-Y370 HydrophobicContact CG-CE2 4.01Å; L355-Y370 HydrophobicContact CD1-CD2 3.47Å; L355-Y370 VanDerWaalsContact CD1-CD2 3.47Å; L355-Y370 HydrophobicContact CD1-CE2 3.96Å; L355-Y370 HydrophobicContact CD1-CG 3.9Å; L355-Y370 HydrophobicContact CD2-CD1 4.35Å; L355-Y370 HydrophobicContact CD2-CD2 4.44Å; L355-Y370 HydrophobicContact CD2-CG 4.22Å; Y370-L419 CarbonylContact O-C 3.59Å; Y370-L419 VanDerWaalsContact O-CA 3.32Å; Y370-L419 WeakPolarHBondContact O-CA 3.48Å; Y370-F420 HydrophobicContact CD1-CB 4.38Å; Y370-F420 HydrophobicContact CD2-CB 4.09Å; Y370-F420 HydrophobicContact CE1-CB 3.88Å; Y370-F420 HydrophobicContact CE2-CB 3.57Å; Y370-F420 HydrophobicContact CE2-CD2 4.03Å; Y370-F420 HydrophobicContact CE2-CG 4.12Å; Y370-F420 HydrophobicContact CG-CB 4.48Å; Y370-F420 VanDerWaalsContact CZ-CB 3.46Å; Y370-F420 PolarHBondContact N-O 3.25Å; Y370-F420 PolarHBondContact O-N 3.36Å; Y370-P422 HydrophobicContact CD1-CG 3.96Å; Y370-P422 HydrophobicContact CE1-CG 3.82Å
371	R	98.6	Very high	96.8	Very high	68 Å²	68	33 Å²	33	26%	0.257	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.1	-172.9	-57.1	179.5	-67.7	178.1	0	111.1	R341 E359 W412 L419	R341-R371 PolarHBondContact NE-O 3.29Å; R341-R371 PolarHBondContact NH2-O 2.89Å; E359-R371 IonicContact OE1-CZ 2.98Å; E359-R371 VanDerWaalsContact OE1-CZ 3.29Å; E359-R371 IonicContact OE1-NE 2.75Å; E359-R371 PolarHBondContact OE1-NE 2.88Å; E359-R371 VanDerWaalsContact OE1-NE 3.15Å; E359-R371 IonicContact OE1-NH2 3.78Å; E359-R371 PolarHBondContact OE1-NH2 3.35Å; E359-R371 WeakPolarHBondContact OE2-CB 3.46Å; E359-R371 IonicContact OE2-CZ 2.68Å; E359-R371 PolarHBondContact OE2-N 3.45Å; E359-R371 IonicContact OE2-NE 3.34Å; E359-R371 PolarHBondContact OE2-NE 2.89Å; E359-R371 VanDerWaalsContact OE2-NE 3.15Å; E359-R371 IonicContact OE2-NH2 3.42Å; R371-W412 HydrophobicContact CB-CH2 3.83Å; R371-W412 HydrophobicContact CB-CZ2 3.9Å; R371-W412 HydrophobicContact CG-CH2 3.81Å; R371-W412 HydrophobicContact CG-CZ2 4.36Å; R371-L419 HydrophobicContact CB-CD2 4.4Å; R371-L419 HydrophobicContact CG-CD2 3.75Å
372	S	98.6	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.			trans	-113.6	131.3	174	-172.4	0	0	0	0	110.7	G342 A374 W412 L418 F420	G342-S372 PolarHBondContact N-OG 3.49Å; S372-A374 VanDerWaalsContact C-N 3.26Å; S372-A374 PolarHBondContact O-N 2.87Å; S372-A374 PolarHBondContact OG-O 3.16Å; S372-W412 PolarHBondContact O-NE1 2.91Å; S372-L418 PolarHBondContact N-O 2.9Å; S372-F420 VanDerWaalsContact CB-CD1 3.43Å; S372-F420 VanDerWaalsContact CB-CE1 3.46Å; S372-F420 WeakPolarHBondContact OG-CE1 3.49Å; S372-F420 WeakPolarHBondContact OG-CZ 3.17Å
373	P	98.7	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-58.5	-38.2	176.2	-26.4	35.9	0	0	0	113.2	G342 W344 F501 A506 I509	G342-P373 VanDerWaalsContact O-CD 3.31Å; G342-P373 WeakPolarHBondContact O-CD 3.25Å; W344-P373 HydrophobicContact CH2-CB 4.1Å; W344-P373 HydrophobicContact CZ3-CB 3.77Å; P373-F501 HydrophobicContact CB-CZ 4.21Å; P373-A506 HydrophobicContact CB-CB 3.85Å; P373-A506 HydrophobicContact CG-CB 4.05Å; P373-I509 HydrophobicContact CB-CD1 4.2Å; P373-I509 HydrophobicContact CG-CD1 4.49Å
374	A	98.6	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-141.1	162.5	177.3	0	0	0	0	0	112.4	G342 W344 S372 F405 S408 L418	G342-A374 WeakPolarHBondContact CA-O 3.47Å; G342-A374 PolarHBondContact O-N 3.38Å; W344-A374 HydrophobicContact CE3-CB 4.02Å; W344-A374 HydrophobicContact CZ3-CB 3.95Å; S372-A374 VanDerWaalsContact C-N 3.26Å; S372-A374 PolarHBondContact O-N 2.87Å; S372-A374 PolarHBondContact OG-O 3.16Å; A374-F405 HydrophobicContact CB-CD1 3.92Å; A374-F405 HydrophobicContact CB-CE1 4.05Å; A374-S408 WeakPolarHBondContact CA-OG 3.48Å; A374-L418 VanDerWaalsContact C-CD2 3.49Å
375	M	98.4	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.			trans	-102	157.3	169.7	63.6	177	74.7	0	0	110.9	C313 V315 G377 F380 N404 I407 S408 I411 L418	C313-M375 VanDerWaalsContact SG-CE 3.54Å; V315-M375 HydrophobicContact CG2-CB 3.85Å; V315-M375 HydrophobicContact CG2-CE 4.5Å; M375-G377 PolarHBondContact O-N 3.36Å; M375-F380 HydrophobicContact CE-CB 4.37Å; M375-F380 HydrophobicContact CE-CD2 4.44Å; M375-F380 HydrophobicContact CE-CG 4.34Å; M375-F380 HydrophobicContact SD-CB 4.12Å; M375-F380 HydrophobicContact SD-CD1 3.95Å; M375-F380 HydrophobicContact SD-CE1 4.5Å; M375-F380 HydrophobicContact SD-CG 3.96Å; M375-N404 HydrophobicContact CG-CB 4.45Å; M375-N404 PolarHBondContact O-ND2 2.98Å; M375-N404 VanDerWaalsContact O-ND2 3.08Å; M375-I407 HydrophobicContact CE-CG2 3.9Å; M375-I407 HydrophobicContact CG-CG2 4.47Å; M375-I407 HydrophobicContact SD-CG2 3.81Å; M375-S408 PolarHBondContact N-OG 3.17Å; M375-S408 VanDerWaalsContact N-OG 3.11Å; M375-I411 HydrophobicContact CE-CD1 4.17Å; M375-L418 HydrophobicContact CB-CD1 4.39Å; M375-L418 HydrophobicContact CB-CD2 4.07Å; M375-L418 HydrophobicContact CE-CD1 3.43Å; M375-L418 VanDerWaalsContact CE-CD1 3.43Å; M375-L418 HydrophobicContact CE-CD2 4.19Å; M375-L418 HydrophobicContact CE-CG 4.47Å
376	A	95.9	Very high	97.6	Very high	34 Å²	34	19 Å²	19	28%	0.281	10%	0.102	S	C	.	.			trans	-65.9	-29	168.7	0	0	0	0	0	111.8	I318 W350 N404	I318-A376 HydrophobicContact CD1-CB 3.82Å; W350-A376 HydrophobicContact CZ2-CB 4.07Å; A376-N404 WeakPolarHBondContact O-CB 3.15Å
377	G	91.1	Very high	97.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	9%	0.086	C	C	.	.	S	Bend	trans	99.4	-24.4	172	0	0	0	0	0	115	R272 M375	R272-G377 VanDerWaalsContact CZ-O 3.3Å; R272-G377 PolarHBondContact NH1-O 2.78Å; R272-G377 PolarHBondContact NH2-O 3.27Å; M375-G377 PolarHBondContact O-N 3.36Å
378	G	92.4	Very high	97.8	Very high	9 Å²	9	19.4 Å²	19.4	9%	0.093	10%	0.099	C	C	.	.	S	Bend	trans	-57.6	-51.3	177.3	0	0	0	0	0	113.6	R272 D289	R272-G378 PolarHBondContact NH2-O 3.23Å; D289-G378 WeakPolarHBondContact OD2-CA 3.32Å
379	L	98.2	Very high	97.8	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.097	C	C	.	.	S	Bend	trans	-132	121.8	-167.2	-40.6	96.1	0	0	0	110.5	Y287 L288 C292 P316 I318 V426	Y287-L379 VanDerWaalsContact O-CA 3.28Å; Y287-L379 WeakPolarHBondContact O-CA 3.4Å; L288-L379 HydrophobicContact CD2-CB 4.36Å; L288-L379 HydrophobicContact CD2-CD2 3.72Å; L288-L379 HydrophobicContact CD2-CG 4.49Å; C292-L379 HydrophobicContact CB-CD2 4.29Å; C292-L379 VanDerWaalsContact SG-CD2 3.51Å; P316-L379 HydrophobicContact CG-CB 4.03Å; I318-L379 HydrophobicContact CB-CD1 4.42Å; I318-L379 HydrophobicContact CD1-CD1 3.48Å; I318-L379 VanDerWaalsContact CD1-CD1 3.48Å; I318-L379 HydrophobicContact CG1-CD1 3.75Å; I318-L379 HydrophobicContact CG2-CD1 3.82Å; L379-V426 HydrophobicContact CD2-CB 3.99Å; L379-V426 HydrophobicContact CD2-CG1 3.46Å; L379-V426 VanDerWaalsContact CD2-CG1 3.46Å
380	F	98.9	Very high	97.8	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	163.4	177.3	68.6	-81.5	0	0	0	110.7	I286 Y287 T314 V315 M375 I382 F387 Y393	I286-F380 CarbonylContact C-O 3.58Å; I286-F380 WeakPolarHBondContact CA-O 3.37Å; Y287-F380 HydrophobicContact CD2-CD1 4.27Å; Y287-F380 HydrophobicContact CD2-CD2 4.4Å; Y287-F380 AromaticContact CD2-CE1 3.59Å; Y287-F380 HydrophobicContact CD2-CE1 3.59Å; Y287-F380 AromaticContact CD2-CE2 3.76Å; Y287-F380 HydrophobicContact CD2-CE2 3.76Å; Y287-F380 AromaticContact CD2-CZ 3.29Å; Y287-F380 HydrophobicContact CD2-CZ 3.29Å; Y287-F380 HydrophobicContact CE2-CE1 4.37Å; Y287-F380 HydrophobicContact CE2-CE2 4.15Å; Y287-F380 AromaticContact CE2-CZ 3.7Å; Y287-F380 HydrophobicContact CE2-CZ 3.7Å; Y287-F380 HydrophobicContact CG-CD1 4.43Å; Y287-F380 AromaticContact CG-CE1 3.8Å; Y287-F380 HydrophobicContact CG-CE1 3.8Å; Y287-F380 AromaticContact CG-CZ 3.99Å; Y287-F380 HydrophobicContact CG-CZ 3.99Å; Y287-F380 PolarHBondContact N-O 2.91Å; Y287-F380 PolarHBondContact O-N 3.1Å; T314-F380 CarbonylContact O-C 3.6Å; T314-F380 VanDerWaalsContact O-CA 3.27Å; T314-F380 WeakPolarHBondContact O-CA 3.42Å; T314-F380 WeakPolarHBondContact O-CB 3.28Å; V315-F380 HydrophobicContact CG2-CB 3.91Å; M375-F380 HydrophobicContact CE-CB 4.37Å; M375-F380 HydrophobicContact CE-CD2 4.44Å; M375-F380 HydrophobicContact CE-CG 4.34Å; M375-F380 HydrophobicContact SD-CB 4.12Å; M375-F380 HydrophobicContact SD-CD1 3.95Å; M375-F380 HydrophobicContact SD-CE1 4.5Å; M375-F380 HydrophobicContact SD-CG 3.96Å; F380-I382 HydrophobicContact CD2-CB 4.27Å; F380-I382 HydrophobicContact CD2-CG2 4.14Å; F380-I382 HydrophobicContact CE2-CB 4.22Å; F380-I382 HydrophobicContact CE2-CG2 3.67Å; F380-F387 HydrophobicContact CZ-CZ 4.48Å; F380-Y393 WeakPolarHBondContact CE1-OH 3.37Å
381	A	98.9	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.8	171.6	0	0	0	0	0	110.4	V284 L285 I286 L302 I303 I306 C313 T314	V284-A381 HydrophobicContact CG1-CB 4Å; L285-A381 VanDerWaalsContact O-CA 3.26Å; L285-A381 WeakPolarHBondContact O-CA 3.23Å; I286-A381 HydrophobicContact CG1-CB 3.87Å; L302-A381 HydrophobicContact CD1-CB 4.45Å; L302-A381 HydrophobicContact CD2-CB 3.93Å; L302-A381 HydrophobicContact CG-CB 3.93Å; I303-A381 HydrophobicContact CD1-CB 3.95Å; I306-A381 HydrophobicContact CD1-CB 3.7Å; I306-A381 WeakPolarHBondContact CD1-O 3.47Å; C313-A381 WeakPolarHBondContact CA-O 3.33Å; C313-A381 PolarHBondContact SG-O 3.04Å; C313-A381 VanDerWaalsContact SG-O 3.39Å; T314-A381 PolarHBondContact N-O 2.98Å; T314-A381 PolarHBondContact O-N 2.98Å
382	I	98.9	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.8	179.6	-170	166.4	0	0	0	110.1	V284 L285 C313 F380 R384 F386 F387 L390 I411	V284-I382 WeakPolarHBondContact CG1-O 3.19Å; L285-I382 HydrophobicContact CB-CG2 4.4Å; L285-I382 PolarHBondContact N-O 3.42Å; L285-I382 PolarHBondContact O-N 2.89Å; C313-I382 HydrophobicContact CB-CD1 4.39Å; C313-I382 HydrophobicContact CB-CG1 4.45Å; F380-I382 HydrophobicContact CD2-CB 4.27Å; F380-I382 HydrophobicContact CD2-CG2 4.14Å; F380-I382 HydrophobicContact CE2-CB 4.22Å; F380-I382 HydrophobicContact CE2-CG2 3.67Å; I382-R384 PolarHBondContact O-N 3.3Å; I382-F386 HydrophobicContact CD1-CD1 3.75Å; I382-F386 HydrophobicContact CD1-CE1 4.07Å; I382-F386 HydrophobicContact CG1-CD1 3.76Å; I382-F386 HydrophobicContact CG1-CE1 4.42Å; I382-F387 HydrophobicContact CD1-CB 3.94Å; I382-F387 HydrophobicContact CD1-CD2 4.01Å; I382-F387 HydrophobicContact CD1-CG 4.23Å; I382-F387 HydrophobicContact CG1-CB 4.18Å; I382-F387 HydrophobicContact CG2-CB 3.75Å; I382-F387 HydrophobicContact CG2-CD1 4.12Å; I382-F387 HydrophobicContact CG2-CD2 4.46Å; I382-F387 HydrophobicContact CG2-CG 3.88Å; I382-L390 HydrophobicContact CD1-CD1 4.01Å; I382-I411 HydrophobicContact CD1-CD1 4.4Å
383	E	98.8	Very high	97.7	Very high	22 Å²	22	16.3 Å²	16.3	10%	0.103	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.5	173.2	-165.2	-81.8	127.6	0	0	109.6	I306 R310 D385 F386 F387	I306-E383 HydrophobicContact CG2-CB 3.82Å; R310-E383 HydrophobicContact CB-CB 4.27Å; R310-E383 HydrophobicContact CB-CG 4.08Å; R310-E383 IonicContact CZ-OE2 3.5Å; R310-E383 IonicContact NE-OE2 3.63Å; R310-E383 PolarHBondContact NE-OE2 3.22Å; R310-E383 VanDerWaalsContact NE-OE2 3.12Å; R310-E383 IonicContact NH2-OE2 2.64Å; R310-E383 PolarHBondContact NH2-OE2 3.16Å; R310-E383 WeakPolarHBondContact O-CB 3.4Å; E383-D385 VanDerWaalsContact CD-N 3.34Å; E383-D385 PolarHBondContact O-N 3.15Å; E383-D385 WeakPolarHBondContact OE1-CB 3.42Å; E383-D385 PolarHBondContact OE1-N 3.17Å; E383-D385 WeakPolarHBondContact OE2-CB 3.46Å; E383-D385 PolarHBondContact OE2-N 2.7Å; E383-F386 HydrophobicContact CB-CB 4.1Å; E383-F386 PolarHBondContact O-N 3.47Å; E383-F386 WeakPolarHBondContact OE2-CB 3.22Å; E383-F386 PolarHBondContact OE2-N 3.08Å; E383-F387 PolarHBondContact O-N 2.93Å
384	R	98.6	Very high	97.7	Very high	53 Å²	53	16.4 Å²	16.4	20%	0.2	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-53.3	-168.1	-178.8	-178.8	176.6	-71.6	-4.3	110.6	A279 Q283 L285 I382 F386 F387 F388	A279-R384 PolarHBondContact O-NE 3.37Å; Q283-R384 VanDerWaalsContact O-CB 3.27Å; Q283-R384 WeakPolarHBondContact O-CB 3.33Å; Q283-R384 PolarHBondContact O-N 2.86Å; L285-R384 HydrophobicContact CD1-CB 4.44Å; L285-R384 HydrophobicContact CD1-CG 4.06Å; L285-R384 HydrophobicContact CD2-CB 4.33Å; L285-R384 HydrophobicContact CD2-CG 4.07Å; L285-R384 HydrophobicContact CG-CB 3.97Å; L285-R384 HydrophobicContact CG-CG 3.97Å; I382-R384 PolarHBondContact O-N 3.3Å; R384-F386 VanDerWaalsContact C-N 3.27Å; R384-F386 PolarHBondContact O-N 2.63Å; R384-F387 PolarHBondContact O-N 3.11Å; R384-F387 VanDerWaalsContact O-N 3.16Å; R384-F388 HydrophobicContact CG-CD2 4.03Å; R384-F388 HydrophobicContact CG-CE2 3.86Å; R384-F388 VanDerWaalsContact O-CD2 3.22Å; R384-F388 WeakPolarHBondContact O-CD2 3.43Å; R384-F388 PolarHBondContact O-N 3.15Å; R384-F388 VanDerWaalsContact O-N 3.14Å
385	D	98.4	Very high	97.6	Very high	53 Å²	53	20.9 Å²	20.9	28%	0.283	12%	0.124	S	C	.	.	H	α-helix	trans	-63.3	-36.6	-178.3	-80.8	8.7	0	0	0	111.3	K104 E383 F387 F388 E389	K104-D385 IonicContact NZ-OD2 3.88Å; K104-D385 PolarHBondContact NZ-OD2 2.71Å; E383-D385 VanDerWaalsContact CD-N 3.34Å; E383-D385 PolarHBondContact O-N 3.15Å; E383-D385 WeakPolarHBondContact OE1-CB 3.42Å; E383-D385 PolarHBondContact OE1-N 3.17Å; E383-D385 WeakPolarHBondContact OE2-CB 3.46Å; E383-D385 PolarHBondContact OE2-N 2.7Å; D385-F387 VanDerWaalsContact C-N 3.34Å; D385-F387 PolarHBondContact O-N 2.84Å; D385-F388 PolarHBondContact O-N 3.12Å; D385-E389 WeakPolarHBondContact O-CB 3.45Å; D385-E389 VanDerWaalsContact O-CG 3.3Å; D385-E389 WeakPolarHBondContact O-CG 3.44Å; D385-E389 PolarHBondContact O-N 2.79Å
386	F	98.6	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-41.8	175.7	-179.9	-129.3	0	0	0	111.3	F103 R310 T311 I382 E383 R384 F388 E389 L390 I411	F103-F386 HydrophobicContact CD1-CD2 4.3Å; F103-F386 HydrophobicContact CD1-CE2 4.23Å; F103-F386 HydrophobicContact CD2-CD2 4.48Å; F103-F386 AromaticContact CD2-CE2 3.84Å; F103-F386 HydrophobicContact CD2-CE2 3.84Å; F103-F386 HydrophobicContact CE1-CE2 4.19Å; F103-F386 AromaticContact CE2-CE2 3.77Å; F103-F386 HydrophobicContact CE2-CE2 3.77Å; F103-F386 HydrophobicContact CG-CD2 4.29Å; F103-F386 HydrophobicContact CG-CE2 4.08Å; F103-F386 AromaticContact CZ-CE2 3.97Å; F103-F386 HydrophobicContact CZ-CE2 3.97Å; R310-F386 WeakPolarHBondContact O-CD1 3.46Å; T311-F386 HydrophobicContact CG2-CD2 4.24Å; T311-F386 HydrophobicContact CG2-CE2 4.07Å; T311-F386 HydrophobicContact CG2-CZ 4.43Å; T311-F386 VanDerWaalsContact O-CE1 3.23Å; T311-F386 WeakPolarHBondContact O-CE1 3.23Å; I382-F386 HydrophobicContact CD1-CD1 3.75Å; I382-F386 HydrophobicContact CD1-CE1 4.07Å; I382-F386 HydrophobicContact CG1-CD1 3.76Å; I382-F386 HydrophobicContact CG1-CE1 4.42Å; E383-F386 HydrophobicContact CB-CB 4.1Å; E383-F386 PolarHBondContact O-N 3.47Å; E383-F386 WeakPolarHBondContact OE2-CB 3.22Å; E383-F386 PolarHBondContact OE2-N 3.08Å; R384-F386 VanDerWaalsContact C-N 3.27Å; R384-F386 PolarHBondContact O-N 2.63Å; F386-F388 VanDerWaalsContact C-N 3.32Å; F386-F388 PolarHBondContact O-N 2.78Å; F386-E389 PolarHBondContact O-N 2.91Å; F386-L390 HydrophobicContact CD1-CD1 4.2Å; F386-L390 HydrophobicContact CD2-CD1 4.47Å; F386-L390 HydrophobicContact CD2-CG 4.24Å; F386-L390 HydrophobicContact CE1-CD1 3.76Å; F386-L390 HydrophobicContact CE1-CG 4.48Å; F386-L390 HydrophobicContact CE2-CD1 4.06Å; F386-L390 HydrophobicContact CE2-CD2 3.95Å; F386-L390 HydrophobicContact CE2-CG 3.89Å; F386-L390 HydrophobicContact CZ-CD1 3.69Å; F386-L390 HydrophobicContact CZ-CD2 4.06Å; F386-L390 HydrophobicContact CZ-CG 4.02Å; F386-L390 WeakPolarHBondContact O-CG 3.27Å; F386-L390 PolarHBondContact O-N 3.43Å; F386-I411 HydrophobicContact CE1-CG1 4.48Å
387	F	98.6	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-37	176.3	-166.6	-147.8	0	0	0	112.6	A276 L285 Y287 F380 I382 E383 R384 D385 L390 L392 Y393 I407	A276-F387 HydrophobicContact CB-CD1 4.32Å; A276-F387 HydrophobicContact CB-CE1 4.36Å; L285-F387 HydrophobicContact CD1-CD1 3.98Å; Y287-F387 HydrophobicContact CE2-CD1 4.45Å; Y287-F387 AromaticContact CE2-CE1 3.99Å; Y287-F387 HydrophobicContact CE2-CE1 3.99Å; F380-F387 HydrophobicContact CZ-CZ 4.48Å; I382-F387 HydrophobicContact CD1-CB 3.94Å; I382-F387 HydrophobicContact CD1-CD2 4.01Å; I382-F387 HydrophobicContact CD1-CG 4.23Å; I382-F387 HydrophobicContact CG1-CB 4.18Å; I382-F387 HydrophobicContact CG2-CB 3.75Å; I382-F387 HydrophobicContact CG2-CD1 4.12Å; I382-F387 HydrophobicContact CG2-CD2 4.46Å; I382-F387 HydrophobicContact CG2-CG 3.88Å; E383-F387 PolarHBondContact O-N 2.93Å; R384-F387 PolarHBondContact O-N 3.11Å; R384-F387 VanDerWaalsContact O-N 3.16Å; D385-F387 VanDerWaalsContact C-N 3.34Å; D385-F387 PolarHBondContact O-N 2.84Å; F387-L390 PolarHBondContact O-N 3.17Å; F387-L392 HydrophobicContact CB-CD2 4.36Å; F387-L392 HydrophobicContact CD1-CD2 3.44Å; F387-L392 VanDerWaalsContact CD1-CD2 3.44Å; F387-L392 HydrophobicContact CD2-CD2 4.31Å; F387-L392 HydrophobicContact CE1-CD2 3.72Å; F387-L392 HydrophobicContact CG-CD2 3.78Å; F387-L392 HydrophobicContact CZ-CB 4.37Å; F387-L392 HydrophobicContact CZ-CD2 4.26Å; F387-L392 WeakPolarHBondContact O-CA 3.12Å; F387-L392 PolarHBondContact O-N 3.43Å; F387-Y393 HydrophobicContact CZ-CD2 4.09Å; F387-Y393 HydrophobicContact CZ-CE2 4.03Å; F387-Y393 HydrophobicContact CZ-CG 4.47Å; F387-I407 HydrophobicContact CD2-CD1 4.01Å; F387-I407 HydrophobicContact CE2-CD1 3.68Å; F387-I407 HydrophobicContact CE2-CG1 4.1Å
388	F	98.5	Very high	97.6	Very high	68 Å²	68	23.1 Å²	23.1	30%	0.298	13%	0.134	S	C	.	.	H	α-helix	trans	-68.5	-39.5	172.6	-81	-82	0	0	0	112.5	A276 K277 R384 D385 F386 L390 G391 L392	A276-F388 HydrophobicContact CB-CE2 4.3Å; A276-F388 HydrophobicContact CB-CZ 4.12Å; K277-F388 HydrophobicContact CG-CE1 4.01Å; K277-F388 HydrophobicContact CG-CZ 4.12Å; R384-F388 HydrophobicContact CG-CD2 4.03Å; R384-F388 HydrophobicContact CG-CE2 3.86Å; R384-F388 VanDerWaalsContact O-CD2 3.22Å; R384-F388 WeakPolarHBondContact O-CD2 3.43Å; R384-F388 PolarHBondContact O-N 3.15Å; R384-F388 VanDerWaalsContact O-N 3.14Å; D385-F388 PolarHBondContact O-N 3.12Å; F386-F388 VanDerWaalsContact C-N 3.32Å; F386-F388 PolarHBondContact O-N 2.78Å; F388-L390 VanDerWaalsContact C-N 3.26Å; F388-L390 PolarHBondContact O-N 3.06Å; F388-G391 WeakPolarHBondContact O-CA 3.48Å; F388-G391 PolarHBondContact O-N 2.96Å; F388-L392 HydrophobicContact CD1-CD1 4.16Å; F388-L392 HydrophobicContact CD1-CD2 4.02Å; F388-L392 HydrophobicContact CD1-CG 4.17Å; F388-L392 HydrophobicContact CD2-CD2 4.37Å; F388-L392 HydrophobicContact CE1-CD1 3.89Å; F388-L392 HydrophobicContact CE1-CD2 4.13Å; F388-L392 HydrophobicContact CE1-CG 4.34Å; F388-L392 HydrophobicContact CE2-CD2 4.43Å; F388-L392 HydrophobicContact CG-CD2 4.13Å; F388-L392 HydrophobicContact CZ-CD2 4.32Å
389	E	98.2	Very high	97.5	Very high	40 Å²	40	23.8 Å²	23.8	19%	0.187	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-32.4	175.1	-75.8	166.4	-140.8	0	0	111.8	F103 K104 R310 D385 F386 G391 F489	F103-E389 VanDerWaalsContact CA-OE2 3.27Å; F103-E389 WeakPolarHBondContact CA-OE2 3.2Å; F103-E389 WeakPolarHBondContact CB-OE2 3.21Å; F103-E389 HydrophobicContact CD1-CB 3.76Å; F103-E389 HydrophobicContact CD1-CG 4.49Å; F103-E389 WeakPolarHBondContact CD1-OE2 3.47Å; F103-E389 HydrophobicContact CE1-CB 4.03Å; K104-E389 VanDerWaalsContact CD-OE1 3.29Å; K104-E389 WeakPolarHBondContact CD-OE1 3.43Å; K104-E389 WeakPolarHBondContact CE-OE1 3.45Å; K104-E389 VanDerWaalsContact CG-OE1 3.31Å; K104-E389 WeakPolarHBondContact CG-OE1 3.3Å; K104-E389 PolarHBondContact N-OE2 2.72Å; R310-E389 IonicContact CZ-OE1 2.69Å; R310-E389 IonicContact CZ-OE2 3.45Å; R310-E389 IonicContact NH1-OE1 3.25Å; R310-E389 PolarHBondContact NH1-OE1 3.48Å; R310-E389 IonicContact NH1-OE2 3.23Å; R310-E389 PolarHBondContact NH1-OE2 3.39Å; R310-E389 IonicContact NH2-OE1 3.35Å; R310-E389 PolarHBondContact NH2-OE1 2.82Å; R310-E389 IonicContact NH2-OE2 2.78Å; R310-E389 PolarHBondContact NH2-OE2 2.83Å; D385-E389 WeakPolarHBondContact O-CB 3.45Å; D385-E389 VanDerWaalsContact O-CG 3.3Å; D385-E389 WeakPolarHBondContact O-CG 3.44Å; D385-E389 PolarHBondContact O-N 2.79Å; F386-E389 PolarHBondContact O-N 2.91Å; E389-G391 PolarHBondContact O-N 2.9Å; E389-F489 WeakPolarHBondContact O-CE2 3.16Å
390	L	98.1	Very high	97.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-2.3	170.9	-68.2	174.8	0	0	0	114.1	F103 I382 F386 F387 F388 I407 K410 I411 F489	F103-L390 HydrophobicContact CE1-CD2 4.07Å; F103-L390 HydrophobicContact CE2-CD2 4.44Å; F103-L390 HydrophobicContact CZ-CD2 3.6Å; I382-L390 HydrophobicContact CD1-CD1 4.01Å; F386-L390 HydrophobicContact CD1-CD1 4.2Å; F386-L390 HydrophobicContact CD2-CD1 4.47Å; F386-L390 HydrophobicContact CD2-CG 4.24Å; F386-L390 HydrophobicContact CE1-CD1 3.76Å; F386-L390 HydrophobicContact CE1-CG 4.48Å; F386-L390 HydrophobicContact CE2-CD1 4.06Å; F386-L390 HydrophobicContact CE2-CD2 3.95Å; F386-L390 HydrophobicContact CE2-CG 3.89Å; F386-L390 HydrophobicContact CZ-CD1 3.69Å; F386-L390 HydrophobicContact CZ-CD2 4.06Å; F386-L390 HydrophobicContact CZ-CG 4.02Å; F386-L390 WeakPolarHBondContact O-CG 3.27Å; F386-L390 PolarHBondContact O-N 3.43Å; F387-L390 PolarHBondContact O-N 3.17Å; F388-L390 VanDerWaalsContact C-N 3.26Å; F388-L390 PolarHBondContact O-N 3.06Å; L390-I407 HydrophobicContact CD1-CD1 3.91Å; L390-K410 HydrophobicContact CD2-CB 4.42Å; L390-K410 VanDerWaalsContact O-CE 3.27Å; L390-K410 WeakPolarHBondContact O-CE 3.43Å; L390-K410 PolarHBondContact O-NZ 2.88Å; L390-I411 HydrophobicContact CD1-CG1 3.75Å; L390-F489 HydrophobicContact CD2-CZ 4.37Å
391	G	97.4	Very high	96.8	Very high	42 Å²	42	30.5 Å²	30.5	43%	0.433	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	23.4	-176.2	0	0	0	0	0	114.1	F388 E389	F388-G391 WeakPolarHBondContact O-CA 3.48Å; F388-G391 PolarHBondContact O-N 2.96Å; E389-G391 PolarHBondContact O-N 2.9Å
392	L	98	Very high	96.6	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	16%	0.161	C	C	.	.	S	Bend	trans	52.5	-149.4	-173.4	-54.1	174.2	0	0	0	111.2	A276 K277 F387 F388 K410	A276-L392 HydrophobicContact CB-CD2 3.93Å; K277-L392 HydrophobicContact CG-CD1 4.48Å; F387-L392 HydrophobicContact CB-CD2 4.36Å; F387-L392 HydrophobicContact CD1-CD2 3.44Å; F387-L392 VanDerWaalsContact CD1-CD2 3.44Å; F387-L392 HydrophobicContact CD2-CD2 4.31Å; F387-L392 HydrophobicContact CE1-CD2 3.72Å; F387-L392 HydrophobicContact CG-CD2 3.78Å; F387-L392 HydrophobicContact CZ-CB 4.37Å; F387-L392 HydrophobicContact CZ-CD2 4.26Å; F387-L392 WeakPolarHBondContact O-CA 3.12Å; F387-L392 PolarHBondContact O-N 3.43Å; F388-L392 HydrophobicContact CD1-CD1 4.16Å; F388-L392 HydrophobicContact CD1-CD2 4.02Å; F388-L392 HydrophobicContact CD1-CG 4.17Å; F388-L392 HydrophobicContact CD2-CD2 4.37Å; F388-L392 HydrophobicContact CE1-CD1 3.89Å; F388-L392 HydrophobicContact CE1-CD2 4.13Å; F388-L392 HydrophobicContact CE1-CG 4.34Å; F388-L392 HydrophobicContact CE2-CD2 4.43Å; F388-L392 HydrophobicContact CG-CD2 4.13Å; F388-L392 HydrophobicContact CZ-CD2 4.32Å; L392-K410 PolarHBondContact O-NZ 3.03Å
393	Y	98.4	Very high	96.6	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.016	16%	0.162	C	C	.	.	S	Bend	trans	-75.6	149.9	166.4	-69.3	-59.6	0	0	0	111.7	I269 R272 F380 F387 E403 I407	I269-Y393 HydrophobicContact CG2-CD1 4.49Å; I269-Y393 HydrophobicContact CG2-CD2 3.98Å; I269-Y393 HydrophobicContact CG2-CG 3.83Å; R272-Y393 HydrophobicContact CB-CD2 4.36Å; R272-Y393 HydrophobicContact CB-CE2 3.97Å; F380-Y393 WeakPolarHBondContact CE1-OH 3.37Å; F387-Y393 HydrophobicContact CZ-CD2 4.09Å; F387-Y393 HydrophobicContact CZ-CE2 4.03Å; F387-Y393 HydrophobicContact CZ-CG 4.47Å; Y393-E403 HydrophobicContact CD1-CB 3.82Å; Y393-E403 HydrophobicContact CD1-CG 4.44Å; Y393-E403 HydrophobicContact CE1-CB 3.77Å; Y393-E403 HydrophobicContact CE1-CG 3.95Å; Y393-E403 WeakPolarHBondContact CE1-O 3.36Å; Y393-E403 HydrophobicContact CG-CB 4.42Å; Y393-I407 HydrophobicContact CD1-CB 4.27Å; Y393-I407 HydrophobicContact CE1-CB 3.79Å; Y393-I407 HydrophobicContact CE1-CG1 4.46Å; Y393-I407 HydrophobicContact CE1-CG2 3.83Å
394	D	98.2	Very high	96.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.011	16%	0.16	C	C	.	.			trans	-51.5	120.5	169.6	163.1	25.3	0	0	0	111.1	Q270 G396 L397 E406 R455 L486	Q270-D394 PolarHBondContact NE2-O 3.31Å; Q270-D394 VanDerWaalsContact NE2-O 3.17Å; D394-G396 PolarHBondContact O-N 3.01Å; D394-G396 WeakPolarHBondContact OD1-CA 3.42Å; D394-G396 PolarHBondContact OD1-N 3.16Å; D394-L397 HydrophobicContact CB-CD1 3.94Å; D394-L397 HydrophobicContact CB-CG 3.74Å; D394-L397 WeakPolarHBondContact O-CB 3.41Å; D394-L397 PolarHBondContact O-N 3.05Å; D394-L397 VanDerWaalsContact O-N 3.1Å; D394-E406 HydrophobicContact CB-CG 4.39Å; D394-R455 IonicContact OD1-CZ 3.38Å; D394-R455 IonicContact OD1-NE 3.7Å; D394-R455 IonicContact OD1-NH2 3.31Å; D394-R455 PolarHBondContact OD1-NH2 2.73Å; D394-R455 IonicContact OD2-CZ 2.86Å; D394-R455 IonicContact OD2-NE 3.27Å; D394-R455 PolarHBondContact OD2-NE 3Å; D394-R455 IonicContact OD2-NH2 3.41Å; D394-R455 PolarHBondContact OD2-NH2 2.93Å; D394-R455 VanDerWaalsContact OD2-NH2 3.12Å; D394-L486 HydrophobicContact CB-CD1 4.06Å; D394-L486 HydrophobicContact CB-CD2 3.83Å; D394-L486 VanDerWaalsContact CG-CD1 3.42Å; D394-L486 WeakPolarHBondContact OD1-CD1 3.23Å; D394-L486 WeakPolarHBondContact OD2-CD1 3.48Å
395	P	97.1	Very high	96.5	Very high	94 Å²	94	27.8 Å²	27.8	61%	0.61	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.6	-177.8	28.2	-36	0	0	0	113.3	Q270	Q270-P395 PolarHBondContact NE2-O 3.07Å
396	G	95.9	Very high	96.5	Very high	20 Å²	20	25.4 Å²	25.4	21%	0.206	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.7	175.2	0	0	0	0	0	114.5	D394	D394-G396 PolarHBondContact O-N 3.01Å; D394-G396 WeakPolarHBondContact OD1-CA 3.42Å; D394-G396 PolarHBondContact OD1-N 3.16Å
397	L	95.9	Very high	96.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.138	C	C	.	.			trans	-75	131.5	174.6	-58	177.1	0	0	0	111	I269 Q270 D394 E403 E406 N452 R455 V456	I269-L397 HydrophobicContact CD1-CB 3.75Å; I269-L397 HydrophobicContact CG2-CB 4.04Å; I269-L397 HydrophobicContact CG2-CD1 4.31Å; Q270-L397 PolarHBondContact NE2-O 3.49Å; D394-L397 HydrophobicContact CB-CD1 3.94Å; D394-L397 HydrophobicContact CB-CG 3.74Å; D394-L397 WeakPolarHBondContact O-CB 3.41Å; D394-L397 PolarHBondContact O-N 3.05Å; D394-L397 VanDerWaalsContact O-N 3.1Å; L397-E403 HydrophobicContact CD1-CB 3.93Å; L397-E406 HydrophobicContact CD1-CB 4.26Å; L397-E406 HydrophobicContact CD1-CG 4.22Å; L397-N452 WeakPolarHBondContact CA-OD1 3.3Å; L397-N452 HydrophobicContact CD2-CB 3.67Å; L397-R455 HydrophobicContact CD2-CB 4.39Å; L397-V456 HydrophobicContact CD2-CG2 4.25Å
398	Q	92.7	Very high	96.5	Very high	62 Å²	62	25.4 Å²	25.4	29%	0.29	14%	0.138	S	C	.	.			trans	-113.6	136.3	-171.6	-62.2	-176.1	-36.5	0	0	112.1	W400 P448 N452	Q398-W400 VanDerWaalsContact C-N 3.31Å; Q398-W400 PolarHBondContact O-N 3.32Å; Q398-P448 HydrophobicContact CB-CB 3.89Å; Q398-N452 PolarHBondContact N-ND2 3.31Å; Q398-N452 PolarHBondContact N-OD1 3.29Å; Q398-N452 PolarHBondContact O-ND2 3.43Å
399	I	90.1	Very high	96.6	Very high	22 Å²	22	22.1 Å²	22.1	11%	0.113	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	58.9	-76.5	171.8	-53	-58.5	0	0	0	114.9	L268 P441 V444	L268-I399 WeakPolarHBondContact CB-O 3.44Å; L268-I399 PolarHBondContact N-O 2.74Å; I399-P441 HydrophobicContact CD1-CG 3.96Å; I399-V444 HydrophobicContact CD1-CG2 4.28Å; I399-V444 HydrophobicContact CG1-CG1 4.21Å; I399-V444 HydrophobicContact CG1-CG2 4.14Å
400	W	91.7	Very high	96.6	Very high	142 Å²	142	20.4 Å²	20.4	54%	0.538	12%	0.116	S	C	.	.	S	Bend	trans	-159.7	145.4	-171.9	-176.9	86.5	0	0	0	111.9	Q398 T449 N452	Q398-W400 VanDerWaalsContact C-N 3.31Å; Q398-W400 PolarHBondContact O-N 3.32Å; W400-T449 HydrophobicContact CE3-CG2 4.29Å; W400-T449 HydrophobicContact CZ3-CG2 4.26Å; W400-T449 PolarHBondContact O-OG1 3.4Å; W400-N452 PolarHBondContact O-ND2 3.46Å
401	G	91.9	Very high	96.6	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	97.6	138.2	169.9	0	0	0	0	0	112.5	E403 N452	G401-E403 VanDerWaalsContact C-N 3.27Å; G401-E403 WeakPolarHBondContact CA-OE2 3.4Å; G401-E403 PolarHBondContact N-OE2 3.08Å; G401-E403 PolarHBondContact O-N 3.14Å; G401-N452 WeakPolarHBondContact O-CB 3.28Å; G401-N452 PolarHBondContact O-ND2 2.86Å
402	G	94.7	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	89.5	-22.7	177.1	0	0	0	0	0	113.5	N404 F405 E406	G402-N404 VanDerWaalsContact C-N 3.3Å; G402-N404 PolarHBondContact O-N 3.17Å; G402-F405 PolarHBondContact O-N 3.1Å; G402-E406 WeakPolarHBondContact O-CB 3.37Å; G402-E406 PolarHBondContact O-N 2.67Å
403	E	97.6	Very high	96.7	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	9%	0.094	C	C	.	.	H	α-helix	trans	-64.5	-36	-178.3	79.8	-71	176.8	0	0	112.7	I269 R272 Y393 L397 G401 F405 E406 I407	I269-E403 HydrophobicContact CB-CB 4.4Å; I269-E403 HydrophobicContact CD1-CB 3.9Å; I269-E403 HydrophobicContact CD1-CG 4.31Å; I269-E403 HydrophobicContact CG1-CB 3.83Å; I269-E403 HydrophobicContact CG1-CG 3.83Å; I269-E403 HydrophobicContact CG2-CB 3.76Å; I269-E403 HydrophobicContact CG2-CG 4.32Å; R272-E403 IonicContact NH1-OE1 3.44Å; Y393-E403 HydrophobicContact CD1-CB 3.82Å; Y393-E403 HydrophobicContact CD1-CG 4.44Å; Y393-E403 HydrophobicContact CE1-CB 3.77Å; Y393-E403 HydrophobicContact CE1-CG 3.95Å; Y393-E403 WeakPolarHBondContact CE1-O 3.36Å; Y393-E403 HydrophobicContact CG-CB 4.42Å; L397-E403 HydrophobicContact CD1-CB 3.93Å; G401-E403 VanDerWaalsContact C-N 3.27Å; G401-E403 WeakPolarHBondContact CA-OE2 3.4Å; G401-E403 PolarHBondContact N-OE2 3.08Å; G401-E403 PolarHBondContact O-N 3.14Å; E403-F405 VanDerWaalsContact C-N 3.3Å; E403-F405 PolarHBondContact O-N 3.28Å; E403-E406 PolarHBondContact O-N 3.37Å; E403-I407 WeakPolarHBondContact O-CG2 3.38Å; E403-I407 PolarHBondContact O-N 2.63Å; E403-I407 VanDerWaalsContact O-N 3.09Å
404	N	98.1	Very high	96.7	Very high	11 Å²	11	18.8 Å²	18.8	6%	0.059	10%	0.098	C	C	.	.	H	α-helix	trans	-65.1	-36.7	179.6	67.4	-61.1	0	0	0	111.3	M375 A376 G402 S408	M375-N404 HydrophobicContact CG-CB 4.45Å; M375-N404 PolarHBondContact O-ND2 2.98Å; M375-N404 VanDerWaalsContact O-ND2 3.08Å; A376-N404 WeakPolarHBondContact O-CB 3.15Å; G402-N404 VanDerWaalsContact C-N 3.3Å; G402-N404 PolarHBondContact O-N 3.17Å; N404-S408 WeakPolarHBondContact O-CB 3.47Å; N404-S408 PolarHBondContact O-N 3.28Å; N404-S408 PolarHBondContact O-OG 3.19Å
405	F	98.7	Very high	96.6	Very high	3 Å²	3	21 Å²	21	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-75.7	-44.4	175.2	-64.5	-59.6	0	0	0	111.6	W344 L348 W350 A374 G402 E403 I407 S408 Y409 V456	W344-F405 HydrophobicContact CB-CE1 3.69Å; W344-F405 HydrophobicContact CB-CZ 3.78Å; W344-F405 HydrophobicContact CD2-CE1 4.34Å; W344-F405 HydrophobicContact CE3-CD1 4.14Å; W344-F405 AromaticContact CE3-CE1 3.97Å; W344-F405 HydrophobicContact CE3-CE1 3.97Å; W344-F405 HydrophobicContact CG-CE1 4.25Å; L348-F405 HydrophobicContact CD1-CB 4.4Å; L348-F405 HydrophobicContact CD1-CD2 3.88Å; L348-F405 HydrophobicContact CD1-CE2 4.24Å; L348-F405 HydrophobicContact CD1-CG 4.02Å; L348-F405 HydrophobicContact CD2-CD2 4.2Å; L348-F405 HydrophobicContact CG-CD2 3.68Å; L348-F405 HydrophobicContact CG-CE2 3.9Å; L348-F405 HydrophobicContact CG-CG 4.32Å; L348-F405 VanDerWaalsContact O-CE2 3.3Å; L348-F405 WeakPolarHBondContact O-CE2 3.48Å; W350-F405 HydrophobicContact CB-CZ 4.15Å; A374-F405 HydrophobicContact CB-CD1 3.92Å; A374-F405 HydrophobicContact CB-CE1 4.05Å; G402-F405 PolarHBondContact O-N 3.1Å; E403-F405 VanDerWaalsContact C-N 3.3Å; E403-F405 PolarHBondContact O-N 3.28Å; F405-I407 PolarHBondContact O-N 3.33Å; F405-S408 WeakPolarHBondContact O-CB 3.47Å; F405-S408 PolarHBondContact O-N 3.31Å; F405-S408 VanDerWaalsContact O-N 3.09Å; F405-Y409 HydrophobicContact CB-CD2 4.33Å; F405-Y409 HydrophobicContact CB-CE2 3.62Å; F405-Y409 WeakPolarHBondContact O-CD2 3.4Å; F405-Y409 PolarHBondContact O-N 2.91Å; F405-V456 HydrophobicContact CB-CG1 4.38Å
406	E	98.7	Very high	96.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-52.3	-51.9	178.7	-164.5	-91.9	163.4	0	0	112.1	D394 L397 G402 E403 S408 Y409 K410 V456	D394-E406 HydrophobicContact CB-CG 4.39Å; L397-E406 HydrophobicContact CD1-CB 4.26Å; L397-E406 HydrophobicContact CD1-CG 4.22Å; G402-E406 WeakPolarHBondContact O-CB 3.37Å; G402-E406 PolarHBondContact O-N 2.67Å; E403-E406 PolarHBondContact O-N 3.37Å; E406-S408 PolarHBondContact O-N 2.76Å; E406-Y409 PolarHBondContact O-N 3.39Å; E406-K410 PolarHBondContact O-N 2.9Å; E406-K410 VanDerWaalsContact OE1-CD 3.27Å; E406-K410 WeakPolarHBondContact OE1-CD 3.39Å; E406-K410 WeakPolarHBondContact OE1-CE 3.31Å; E406-K410 IonicContact OE1-NZ 3.71Å; E406-K410 PolarHBondContact OE1-NZ 2.9Å; E406-K410 IonicContact OE2-NZ 3.85Å; E406-K410 PolarHBondContact OE2-NZ 2.8Å; E406-V456 HydrophobicContact CB-CG1 4.39Å; E406-V456 HydrophobicContact CB-CG2 3.72Å; E406-V456 HydrophobicContact CG-CG2 3.98Å
407	I	98.6	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.2	-34.5	178.8	-166.3	54.2	0	0	0	112.4	M375 F387 L390 Y393 E403 F405 Y409 K410 I411	M375-I407 HydrophobicContact CE-CG2 3.9Å; M375-I407 HydrophobicContact CG-CG2 4.47Å; M375-I407 HydrophobicContact SD-CG2 3.81Å; F387-I407 HydrophobicContact CD2-CD1 4.01Å; F387-I407 HydrophobicContact CE2-CD1 3.68Å; F387-I407 HydrophobicContact CE2-CG1 4.1Å; L390-I407 HydrophobicContact CD1-CD1 3.91Å; Y393-I407 HydrophobicContact CD1-CB 4.27Å; Y393-I407 HydrophobicContact CE1-CB 3.79Å; Y393-I407 HydrophobicContact CE1-CG1 4.46Å; Y393-I407 HydrophobicContact CE1-CG2 3.83Å; E403-I407 WeakPolarHBondContact O-CG2 3.38Å; E403-I407 PolarHBondContact O-N 2.63Å; E403-I407 VanDerWaalsContact O-N 3.09Å; F405-I407 PolarHBondContact O-N 3.33Å; I407-Y409 VanDerWaalsContact C-N 3.35Å; I407-Y409 PolarHBondContact O-N 3.39Å; I407-K410 HydrophobicContact CD1-CB 4.32Å; I407-K410 HydrophobicContact CD1-CD 4.18Å; I407-K410 PolarHBondContact O-N 3.06Å; I407-I411 HydrophobicContact CD1-CD1 4.32Å; I407-I411 HydrophobicContact CD1-CG1 4.32Å; I407-I411 HydrophobicContact CG1-CD1 3.85Å; I407-I411 HydrophobicContact CG1-CG1 4.36Å; I407-I411 WeakPolarHBondContact O-CB 2.95Å; I407-I411 WeakPolarHBondContact O-CD1 3.38Å; I407-I411 WeakPolarHBondContact O-CG1 3.44Å; I407-I411 PolarHBondContact O-N 3.08Å
408	S	98.9	Very high	96.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-43.5	176.8	-60.8	0	0	0	0	111.3	A374 M375 N404 F405 E406 W412	A374-S408 WeakPolarHBondContact CA-OG 3.48Å; M375-S408 PolarHBondContact N-OG 3.17Å; M375-S408 VanDerWaalsContact N-OG 3.11Å; N404-S408 WeakPolarHBondContact O-CB 3.47Å; N404-S408 PolarHBondContact O-N 3.28Å; N404-S408 PolarHBondContact O-OG 3.19Å; F405-S408 WeakPolarHBondContact O-CB 3.47Å; F405-S408 PolarHBondContact O-N 3.31Å; F405-S408 VanDerWaalsContact O-N 3.09Å; E406-S408 PolarHBondContact O-N 2.76Å; S408-W412 VanDerWaalsContact O-CD1 3.31Å; S408-W412 PolarHBondContact O-N 2.79Å; S408-W412 VanDerWaalsContact O-N 3.1Å
409	Y	98.8	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.6	-43.5	178.1	-58.7	-29.8	0	0	0	111.9	W344 F405 E406 I407 I411 W412 Q413 V456 W460 W461 F498 F501	W344-Y409 HydrophobicContact CE3-CE1 4.47Å; W344-Y409 AromaticContact CH2-CE1 3.84Å; W344-Y409 HydrophobicContact CH2-CE1 3.84Å; W344-Y409 HydrophobicContact CZ2-CE1 4.1Å; W344-Y409 AromaticContact CZ3-CE1 3.98Å; W344-Y409 HydrophobicContact CZ3-CE1 3.98Å; F405-Y409 HydrophobicContact CB-CD2 4.33Å; F405-Y409 HydrophobicContact CB-CE2 3.62Å; F405-Y409 WeakPolarHBondContact O-CD2 3.4Å; F405-Y409 PolarHBondContact O-N 2.91Å; E406-Y409 PolarHBondContact O-N 3.39Å; I407-Y409 VanDerWaalsContact C-N 3.35Å; I407-Y409 PolarHBondContact O-N 3.39Å; Y409-I411 PolarHBondContact O-N 2.86Å; Y409-W412 PolarHBondContact O-N 2.68Å; Y409-Q413 VanDerWaalsContact O-CB 3.24Å; Y409-Q413 WeakPolarHBondContact O-CB 3.43Å; Y409-Q413 WeakPolarHBondContact O-CG 3.45Å; Y409-Q413 PolarHBondContact O-N 2.94Å; Y409-V456 HydrophobicContact CD2-CG1 3.7Å; Y409-V456 HydrophobicContact CE2-CG1 3.62Å; Y409-W460 HydrophobicContact CD2-CB 3.85Å; Y409-W460 HydrophobicContact CD2-CG 4.22Å; Y409-W460 HydrophobicContact CG-CB 4.26Å; Y409-W461 AromaticContact CD2-NE1 3.95Å; Y409-W461 AromaticContact CE2-CD1 3.87Å; Y409-W461 AromaticContact CE2-NE1 3.13Å; Y409-W461 AromaticContact CZ-NE1 3.34Å; Y409-W461 VanDerWaalsContact CZ-NE1 3.34Å; Y409-W461 PolarHBondContact OH-NE1 3.03Å; Y409-F498 HydrophobicContact CD1-CE2 4.09Å; Y409-F498 AromaticContact CE1-CE2 3.97Å; Y409-F498 HydrophobicContact CE1-CE2 3.97Å; Y409-F501 HydrophobicContact CD1-CD1 4.47Å; Y409-F501 AromaticContact CD1-CE1 3.69Å; Y409-F501 HydrophobicContact CD1-CE1 3.69Å; Y409-F501 AromaticContact CD1-CZ 3.83Å; Y409-F501 HydrophobicContact CD1-CZ 3.83Å; Y409-F501 AromaticContact CE1-CE1 3.63Å; Y409-F501 HydrophobicContact CE1-CE1 3.63Å; Y409-F501 AromaticContact CE1-CZ 3.91Å; Y409-F501 HydrophobicContact CE1-CZ 3.91Å
410	K	98.5	Very high	97.7	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-51.8	-55	171.5	-85.9	177.3	160.8	165.5	0	111.6	L390 L392 E406 I407 C414 W460	L390-K410 HydrophobicContact CD2-CB 4.42Å; L390-K410 VanDerWaalsContact O-CE 3.27Å; L390-K410 WeakPolarHBondContact O-CE 3.43Å; L390-K410 PolarHBondContact O-NZ 2.88Å; L392-K410 PolarHBondContact O-NZ 3.03Å; E406-K410 PolarHBondContact O-N 2.9Å; E406-K410 VanDerWaalsContact OE1-CD 3.27Å; E406-K410 WeakPolarHBondContact OE1-CD 3.39Å; E406-K410 WeakPolarHBondContact OE1-CE 3.31Å; E406-K410 IonicContact OE1-NZ 3.71Å; E406-K410 PolarHBondContact OE1-NZ 2.9Å; E406-K410 IonicContact OE2-NZ 3.85Å; E406-K410 PolarHBondContact OE2-NZ 2.8Å; I407-K410 HydrophobicContact CD1-CB 4.32Å; I407-K410 HydrophobicContact CD1-CD 4.18Å; I407-K410 PolarHBondContact O-N 3.06Å; K410-C414 WeakPolarHBondContact O-CB 3.33Å; K410-C414 PolarHBondContact O-N 2.9Å; K410-C414 PolarHBondContact O-SG 2.99Å; K410-W460 HydrophobicContact CB-CH2 4.24Å; K410-W460 HydrophobicContact CB-CZ2 4.24Å; K410-W460 HydrophobicContact CD-CZ2 4.14Å; K410-W460 HydrophobicContact CG-CH2 3.5Å; K410-W460 VanDerWaalsContact CG-CH2 3.5Å; K410-W460 HydrophobicContact CG-CZ2 3.13Å; K410-W460 HydrophobicContact CG-CZ3 4.44Å
411	I	98.8	Very high	98	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.9	-55.2	-177.4	-69.8	161.3	0	0	0	110.1	C313 M375 I382 F386 L390 I407 Y409 G415 G416 Q417	C313-I411 HydrophobicContact CB-CD1 3.57Å; M375-I411 HydrophobicContact CE-CD1 4.17Å; I382-I411 HydrophobicContact CD1-CD1 4.4Å; F386-I411 HydrophobicContact CE1-CG1 4.48Å; L390-I411 HydrophobicContact CD1-CG1 3.75Å; I407-I411 HydrophobicContact CD1-CD1 4.32Å; I407-I411 HydrophobicContact CD1-CG1 4.32Å; I407-I411 HydrophobicContact CG1-CD1 3.85Å; I407-I411 HydrophobicContact CG1-CG1 4.36Å; I407-I411 WeakPolarHBondContact O-CB 2.95Å; I407-I411 WeakPolarHBondContact O-CD1 3.38Å; I407-I411 WeakPolarHBondContact O-CG1 3.44Å; I407-I411 PolarHBondContact O-N 3.08Å; Y409-I411 PolarHBondContact O-N 2.86Å; I411-G415 PolarHBondContact O-N 2.9Å; I411-G416 CarbonylContact O-C 3.56Å; I411-G416 WeakPolarHBondContact O-CA 3.47Å; I411-G416 PolarHBondContact O-N 2.79Å; I411-Q417 VanDerWaalsContact CG2-C 3.5Å; I411-Q417 WeakPolarHBondContact CG2-O 3.49Å
412	W	98.8	Very high	98.3	Very high	10 Å²	10	9.7 Å²	9.7	4%	0.038	6%	0.061	C	C	.	.	H	α-helix	trans	-67.3	-49.4	-175.2	-80.8	119.3	0	0	0	113.6	R371 S372 S408 Y409 C414 G415 Q417 L418 W500 F501 I505	R371-W412 HydrophobicContact CB-CH2 3.83Å; R371-W412 HydrophobicContact CB-CZ2 3.9Å; R371-W412 HydrophobicContact CG-CH2 3.81Å; R371-W412 HydrophobicContact CG-CZ2 4.36Å; S372-W412 PolarHBondContact O-NE1 2.91Å; S408-W412 VanDerWaalsContact O-CD1 3.31Å; S408-W412 PolarHBondContact O-N 2.79Å; S408-W412 VanDerWaalsContact O-N 3.1Å; Y409-W412 PolarHBondContact O-N 2.68Å; W412-C414 VanDerWaalsContact C-N 3.32Å; W412-C414 PolarHBondContact O-N 2.94Å; W412-G415 PolarHBondContact O-N 3.39Å; W412-Q417 HydrophobicContact CH2-CB 4.04Å; W412-Q417 HydrophobicContact CH2-CG 4.42Å; W412-Q417 HydrophobicContact CZ3-CB 4.1Å; W412-Q417 HydrophobicContact CZ3-CG 4.1Å; W412-L418 HydrophobicContact CZ2-CB 4Å; W412-L418 VanDerWaalsContact CZ2-N 3.33Å; W412-L418 WeakPolarHBondContact CZ2-O 3.4Å; W412-W500 WeakPolarHBondContact O-CZ3 3.46Å; W412-F501 HydrophobicContact CB-CD2 3.7Å; W412-F501 HydrophobicContact CB-CE2 3.77Å; W412-F501 AromaticContact CD1-CE2 3.52Å; W412-F501 HydrophobicContact CG-CD2 4.04Å; W412-F501 AromaticContact CG-CE2 3.71Å; W412-F501 HydrophobicContact CG-CE2 3.71Å; W412-I505 HydrophobicContact CD2-CD1 4.37Å; W412-I505 HydrophobicContact CD2-CG1 4.09Å; W412-I505 HydrophobicContact CD2-CG2 3.82Å; W412-I505 HydrophobicContact CE3-CD1 3.75Å; W412-I505 HydrophobicContact CE3-CG1 3.86Å; W412-I505 HydrophobicContact CE3-CG2 4.29Å; W412-I505 HydrophobicContact CG-CG2 4.23Å; W412-I505 HydrophobicContact CH2-CD1 4.17Å; W412-I505 HydrophobicContact CH2-CG2 4.4Å; W412-I505 HydrophobicContact CZ2-CG2 3.9Å; W412-I505 HydrophobicContact CZ3-CD1 3.64Å; W412-I505 HydrophobicContact CZ3-CG1 4.26Å
413	Q	98.8	Very high	98.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-70.5	-32.4	-174.7	-67.7	179.7	56	0	0	111.2	Y409 G415 W460 C495 K496 F501	Y409-Q413 VanDerWaalsContact O-CB 3.24Å; Y409-Q413 WeakPolarHBondContact O-CB 3.43Å; Y409-Q413 WeakPolarHBondContact O-CG 3.45Å; Y409-Q413 PolarHBondContact O-N 2.94Å; Q413-G415 VanDerWaalsContact C-N 3.34Å; Q413-W460 HydrophobicContact CB-CE3 4.46Å; Q413-W460 HydrophobicContact CB-CZ3 4.22Å; Q413-W460 PolarHBondContact NE2-O 2.85Å; Q413-C495 HydrophobicContact CB-CB 4.1Å; Q413-C495 CarbonylContact O-C 3.56Å; Q413-C495 VanDerWaalsContact O-CA 3.27Å; Q413-C495 WeakPolarHBondContact O-CA 3.43Å; Q413-K496 PolarHBondContact O-N 3.3Å; Q413-K496 PolarHBondContact OE1-O 2.53Å; Q413-F501 HydrophobicContact CG-CB 4.18Å
414	C	98.1	Very high	98.5	Very high	14 Å²	14	9.6 Å²	9.6	10%	0.095	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.8	-178.8	-51	0	0	0	0	113.8	F103 K410 W412 C495	F103-C414 HydrophobicContact CE2-CB 4.19Å; F103-C414 VanDerWaalsContact CE2-O 3.28Å; F103-C414 WeakPolarHBondContact CE2-O 3.4Å; F103-C414 HydrophobicContact CZ-CB 4.06Å; K410-C414 WeakPolarHBondContact O-CB 3.33Å; K410-C414 PolarHBondContact O-N 2.9Å; K410-C414 PolarHBondContact O-SG 2.99Å; W412-C414 VanDerWaalsContact C-N 3.32Å; W412-C414 PolarHBondContact O-N 2.94Å; C414-C495 HydrophobicContact CB-CB 4.05Å; C414-C495 WeakPolarHBondContact CB-SG 3.47Å; C414-C495 WeakPolarHBondContact SG-CB 3.44Å; C414-C495 CovalentContact SG-SG 2.04Å; C414-C495 PolarHBondContact SG-SG 2.91Å
415	G	96.8	Very high	98.5	Very high	48 Å²	48	9.6 Å²	9.6	50%	0.495	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	5.2	166.3	0	0	0	0	0	116.5	I411 W412 Q413	I411-G415 PolarHBondContact O-N 2.9Å; W412-G415 PolarHBondContact O-N 3.39Å; Q413-G415 VanDerWaalsContact C-N 3.34Å
416	G	98.2	Very high	98.5	Very high	3 Å²	3	9.4 Å²	9.4	3%	0.031	6%	0.059	C	C	.	.			trans	-85.2	-170.2	168.5	0	0	0	0	0	112.8	T311 I411	T311-G416 WeakPolarHBondContact O-CA 3.44Å; I411-G416 CarbonylContact O-C 3.56Å; I411-G416 WeakPolarHBondContact O-CA 3.47Å; I411-G416 PolarHBondContact O-N 2.79Å
417	Q	98.6	Very high	98.5	Very high	75 Å²	75	9.3 Å²	9.3	35%	0.35	6%	0.059	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.6	179.3	-55.5	-177	2.2	0	0	111.8	T311 V312 C313 I411 W412 L419	T311-Q417 PolarHBondContact O-N 3.4Å; T311-Q417 VanDerWaalsContact O-N 3.08Å; V312-Q417 HydrophobicContact CG2-CB 4.24Å; C313-Q417 PolarHBondContact N-O 3.45Å; I411-Q417 VanDerWaalsContact CG2-C 3.5Å; I411-Q417 WeakPolarHBondContact CG2-O 3.49Å; W412-Q417 HydrophobicContact CH2-CB 4.04Å; W412-Q417 HydrophobicContact CH2-CG 4.42Å; W412-Q417 HydrophobicContact CZ3-CB 4.1Å; W412-Q417 HydrophobicContact CZ3-CG 4.1Å; Q417-L419 HydrophobicContact CB-CD2 4.49Å
418	L	98.9	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.1	173.9	179.5	61.2	0	0	0	110.4	C313 V315 S372 A374 M375 W412	C313-L418 HydrophobicContact CB-CD1 4Å; C313-L418 WeakPolarHBondContact O-CA 3.37Å; V315-L418 HydrophobicContact CG2-CD1 3.75Å; S372-L418 PolarHBondContact N-O 2.9Å; A374-L418 VanDerWaalsContact C-CD2 3.49Å; M375-L418 HydrophobicContact CB-CD1 4.39Å; M375-L418 HydrophobicContact CB-CD2 4.07Å; M375-L418 HydrophobicContact CE-CD1 3.43Å; M375-L418 VanDerWaalsContact CE-CD1 3.43Å; M375-L418 HydrophobicContact CE-CD2 4.19Å; M375-L418 HydrophobicContact CE-CG 4.47Å; W412-L418 HydrophobicContact CZ2-CB 4Å; W412-L418 VanDerWaalsContact CZ2-N 3.33Å; W412-L418 WeakPolarHBondContact CZ2-O 3.4Å
419	L	98.9	Very high	98.4	Very high	19 Å²	19	10.8 Å²	10.8	10%	0.099	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.5	-173.3	-55.8	-177.1	0	0	0	112	P305 V312 C313 T314 V315 P369 Y370 R371 Q417	P305-L419 HydrophobicContact CB-CD1 4.19Å; V312-L419 HydrophobicContact CG1-CB 4.48Å; V312-L419 HydrophobicContact CG1-CD1 3.66Å; V312-L419 HydrophobicContact CG1-CG 3.93Å; C313-L419 PolarHBondContact O-N 2.99Å; T314-L419 CarbonylContact C-O 3.48Å; T314-L419 WeakPolarHBondContact CA-O 3.34Å; V315-L419 PolarHBondContact N-O 3.38Å; P369-L419 HydrophobicContact CB-CB 4.15Å; P369-L419 HydrophobicContact CB-CD1 4.14Å; Y370-L419 CarbonylContact O-C 3.59Å; Y370-L419 VanDerWaalsContact O-CA 3.32Å; Y370-L419 WeakPolarHBondContact O-CA 3.48Å; R371-L419 HydrophobicContact CB-CD2 4.4Å; R371-L419 HydrophobicContact CG-CD2 3.75Å; Q417-L419 HydrophobicContact CB-CD2 4.49Å
420	F	98.8	Very high	98	Very high	7 Å²	7	15.2 Å²	15.2	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.6	165.2	-81	23.3	0	0	0	108.6	V315 L317 A340 P369 Y370 S372 P422	V315-F420 HydrophobicContact CB-CD1 3.59Å; V315-F420 HydrophobicContact CB-CE1 3.73Å; V315-F420 HydrophobicContact CB-CG 4.47Å; V315-F420 HydrophobicContact CG1-CD1 3.86Å; V315-F420 HydrophobicContact CG1-CE1 3.64Å; V315-F420 HydrophobicContact CG1-CZ 4.18Å; V315-F420 HydrophobicContact CG2-CD1 4.18Å; V315-F420 HydrophobicContact CG2-CE1 4.01Å; V315-F420 WeakPolarHBondContact O-CA 3.46Å; L317-F420 HydrophobicContact CD2-CB 4.16Å; L317-F420 HydrophobicContact CD2-CD2 4.03Å; L317-F420 HydrophobicContact CD2-CG 4.47Å; A340-F420 VanDerWaalsContact O-CD2 3.29Å; A340-F420 WeakPolarHBondContact O-CD2 3.39Å; P369-F420 CarbonylContact C-O 3.58Å; P369-F420 VanDerWaalsContact CA-O 3.24Å; P369-F420 WeakPolarHBondContact CA-O 3.34Å; Y370-F420 HydrophobicContact CD1-CB 4.38Å; Y370-F420 HydrophobicContact CD2-CB 4.09Å; Y370-F420 HydrophobicContact CE1-CB 3.88Å; Y370-F420 HydrophobicContact CE2-CB 3.57Å; Y370-F420 HydrophobicContact CE2-CD2 4.03Å; Y370-F420 HydrophobicContact CE2-CG 4.12Å; Y370-F420 HydrophobicContact CG-CB 4.48Å; Y370-F420 VanDerWaalsContact CZ-CB 3.46Å; Y370-F420 PolarHBondContact N-O 3.25Å; Y370-F420 PolarHBondContact O-N 3.36Å; S372-F420 VanDerWaalsContact CB-CD1 3.43Å; S372-F420 VanDerWaalsContact CB-CE1 3.46Å; S372-F420 WeakPolarHBondContact OG-CE1 3.49Å; S372-F420 WeakPolarHBondContact OG-CZ 3.17Å; F420-P422 WeakPolarHBondContact O-CD 3.22Å
421	V	98.7	Very high	97.7	Very high	2 Å²	2	19 Å²	19	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	99.7	-170.1	-178	0	0	0	0	110.1	P301 T314 V315 P369 C423 S424	P301-V421 HydrophobicContact CB-CG1 3.72Å; P301-V421 WeakPolarHBondContact O-CG1 3.16Å; T314-V421 HydrophobicContact CG2-CG2 4.05Å; V315-V421 PolarHBondContact O-N 2.69Å; P369-V421 HydrophobicContact CB-CG2 4.28Å; P369-V421 HydrophobicContact CG-CG1 4.41Å; P369-V421 HydrophobicContact CG-CG2 4.3Å; V421-C423 VanDerWaalsContact C-N 3.26Å; V421-C423 PolarHBondContact O-N 2.85Å; V421-C423 VanDerWaalsContact O-N 3.14Å; V421-S424 PolarHBondContact O-N 2.75Å
422	P	98.2	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	-36.5	-175.6	-27.7	32.2	0	0	0	115.8	L317 L339 Y370 F420	L317-P422 HydrophobicContact CD1-CB 4.34Å; L339-P422 HydrophobicContact CD2-CB 4.18Å; L339-P422 HydrophobicContact CD2-CG 4.14Å; Y370-P422 HydrophobicContact CD1-CG 3.96Å; Y370-P422 HydrophobicContact CE1-CG 3.82Å; F420-P422 WeakPolarHBondContact O-CD 3.22Å
423	C	98.5	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-10.9	-177.1	-61.3	0	0	0	0	114.5	R181 C185 P301 T367 V421	R181-C423 WeakPolarHBondContact CD-O 3.26Å; C185-C423 WeakPolarHBondContact CA-SG 3.4Å; C185-C423 HydrophobicContact CB-CB 3.68Å; C185-C423 WeakPolarHBondContact CB-SG 3.39Å; C185-C423 WeakPolarHBondContact SG-CA 3.49Å; C185-C423 WeakPolarHBondContact SG-CB 3.35Å; C185-C423 CovalentContact SG-SG 2.05Å; C185-C423 PolarHBondContact SG-SG 3.35Å; P301-C423 HydrophobicContact CB-CB 3.78Å; P301-C423 HydrophobicContact CG-CB 3.97Å; T367-C423 VanDerWaalsContact CB-SG 3.58Å; V421-C423 VanDerWaalsContact C-N 3.26Å; V421-C423 PolarHBondContact O-N 2.85Å; V421-C423 VanDerWaalsContact O-N 3.14Å
424	S	98.7	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.4	169.3	177	0	0	0	0	108.8	W298 P316 L317 V421	W298-S424 VanDerWaalsContact O-CB 3.26Å; W298-S424 WeakPolarHBondContact O-CB 3.31Å; W298-S424 PolarHBondContact O-OG 2.97Å; P316-S424 CarbonylContact C-O 3.56Å; P316-S424 WeakPolarHBondContact CA-O 2.88Å; P316-S424 VanDerWaalsContact CB-O 3.29Å; P316-S424 WeakPolarHBondContact CB-O 3.33Å; P316-S424 WeakPolarHBondContact CB-OG 3.44Å; L317-S424 PolarHBondContact N-O 3.34Å; V421-S424 PolarHBondContact O-N 2.75Å
425	R	98.4	Very high	96	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.038	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.7	-177.5	-58.6	-163.8	81.7	105.3	-0.4	111.2	R181 G295 L317 D319	R181-R425 HydrophobicContact CG-CG 3.96Å; G295-R425 VanDerWaalsContact CA-O 3.3Å; G295-R425 WeakPolarHBondContact CA-O 3.43Å; G295-R425 PolarHBondContact N-O 3.15Å; L317-R425 HydrophobicContact CB-CG 4.37Å; L317-R425 VanDerWaalsContact CD1-NH1 3.33Å; L317-R425 WeakPolarHBondContact O-CA 3.45Å; D319-R425 IonicContact OD1-CZ 3.58Å; D319-R425 IonicContact OD1-NE 3.59Å; D319-R425 PolarHBondContact OD1-NE 2.86Å; D319-R425 IonicContact OD1-NH2 3.31Å; D319-R425 PolarHBondContact OD1-NH2 3.37Å; D319-R425 WeakPolarHBondContact OD2-CB 3.27Å; D319-R425 IonicContact OD2-CZ 3.87Å; D319-R425 IonicContact OD2-NE 2.78Å; D319-R425 PolarHBondContact OD2-NE 3.27Å; D319-R425 IonicContact OD2-NH2 2.73Å
426	V	98.8	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	124.3	177.4	-178.3	0	0	0	0	108.5	L288 C292 V294 W298 P316 L317 I318 D319 L379	L288-V426 HydrophobicContact CD2-CG1 4.3Å; L288-V426 HydrophobicContact CD2-CG2 4.45Å; C292-V426 HydrophobicContact CB-CG1 3.87Å; V294-V426 HydrophobicContact CB-CG2 4.41Å; V294-V426 HydrophobicContact CG1-CG1 4.19Å; V294-V426 HydrophobicContact CG1-CG2 4.12Å; W298-V426 HydrophobicContact CE3-CG2 3.91Å; W298-V426 HydrophobicContact CZ3-CG2 4.35Å; P316-V426 HydrophobicContact CB-CB 4.37Å; P316-V426 HydrophobicContact CB-CG2 3.79Å; P316-V426 HydrophobicContact CG-CB 4.26Å; P316-V426 HydrophobicContact CG-CG2 3.8Å; L317-V426 PolarHBondContact O-N 3.11Å; I318-V426 WeakPolarHBondContact CA-O 3.43Å; D319-V426 PolarHBondContact N-O 2.95Å; L379-V426 HydrophobicContact CD2-CB 3.99Å; L379-V426 HydrophobicContact CD2-CG1 3.46Å; L379-V426 VanDerWaalsContact CD2-CG1 3.46Å
427	G	98.3	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.6	172.6	0	0	0	0	0	110.8	C292 E293 I321 M328	C292-G427 CarbonylContact C-O 3.58Å; C292-G427 WeakPolarHBondContact CA-O 3.45Å; C292-G427 WeakPolarHBondContact CB-O 3.19Å; E293-G427 PolarHBondContact N-O 2.97Å; E293-G427 PolarHBondContact O-N 3.46Å; I321-G427 VanDerWaalsContact CD1-C 3.46Å; M328-G427 VanDerWaalsContact CE-CA 3.45Å
428	H	98.3	Very high	93.9	Very high	28 Å²	28	39.9 Å²	39.9	13%	0.13	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.9	178.6	172.7	-79.2	0	0	0	109.4	D289 H291 I318 D319 I321 Y430	D289-H428 IonicContact OD2-CD2 3.87Å; D289-H428 IonicContact OD2-NE2 3.35Å; H291-H428 AromaticContact CD2-CD2 3.97Å; H291-H428 AromaticContact CD2-CE1 3.89Å; H291-H428 AromaticContact CD2-NE2 3.49Å; H291-H428 PolarHBondContact CD2-NE2 3.34Å; H291-H428 AromaticContact NE2-CE1 3.83Å; H291-H428 AromaticContact NE2-NE2 3.33Å; H291-H428 PolarHBondContact NE2-NE2 2.84Å; I318-H428 HydrophobicContact CG2-CB 3.67Å; D319-H428 PolarHBondContact O-N 2.83Å; I321-H428 PolarHBondContact N-O 2.76Å; H428-Y430 AromaticContact ND1-CD2 3.83Å; H428-Y430 AromaticContact ND1-CE2 3.78Å; H428-Y430 VanDerWaalsContact O-CD2 3.32Å; H428-Y430 WeakPolarHBondContact O-CD2 3.35Å; H428-Y430 PolarHBondContact O-N 2.77Å
429	I	97.7	Very high	92.8	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.2	-179.7	-49.4	176.3	0	0	0	110.2	F163 T210 H291 I321 Y326	F163-I429 HydrophobicContact CB-CG2 4.48Å; F163-I429 HydrophobicContact CD1-CB 4.22Å; F163-I429 HydrophobicContact CD1-CG2 3.27Å; F163-I429 HydrophobicContact CD2-CG2 4.49Å; F163-I429 HydrophobicContact CE1-CB 3.84Å; F163-I429 HydrophobicContact CE1-CG2 3.36Å; F163-I429 WeakPolarHBondContact CE1-O 3.44Å; F163-I429 HydrophobicContact CG-CG2 3.86Å; F163-I429 HydrophobicContact CZ-CB 4.12Å; F163-I429 HydrophobicContact CZ-CG2 4.06Å; T210-I429 HydrophobicContact CG2-CD1 3.64Å; H291-I429 HydrophobicContact CB-CB 4.23Å; H291-I429 HydrophobicContact CB-CD1 3.97Å; H291-I429 HydrophobicContact CB-CG1 4.21Å; H291-I429 WeakPolarHBondContact O-CG1 3.31Å; H291-I429 PolarHBondContact O-N 2.83Å; I321-I429 HydrophobicContact CB-CB 4.44Å; I321-I429 HydrophobicContact CB-CG1 3.92Å; I321-I429 HydrophobicContact CD1-CG1 4.2Å; I321-I429 HydrophobicContact CG2-CG1 3.85Å; I321-I429 WeakPolarHBondContact O-CA 3.48Å; Y326-I429 HydrophobicContact CD1-CD1 4.34Å; Y326-I429 HydrophobicContact CE1-CD1 3.76Å
430	Y	89.9	Confident	91.8	Very high	93 Å²	93	47 Å²	47	37%	0.365	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-91.7	135.8	176.8	-80	-104.3	0	0	0	112	F163 Y320 I321 H428	F163-Y430 WeakPolarHBondContact CD1-O 3.34Å; F163-Y430 WeakPolarHBondContact CE1-O 3.48Å; Y320-Y430 HydrophobicContact CD2-CD1 4.47Å; Y320-Y430 AromaticContact CD2-CD2 3.24Å; Y320-Y430 HydrophobicContact CD2-CD2 3.24Å; Y320-Y430 AromaticContact CD2-CE2 3.77Å; Y320-Y430 HydrophobicContact CD2-CE2 3.77Å; Y320-Y430 AromaticContact CD2-CG 3.64Å; Y320-Y430 HydrophobicContact CD2-CG 3.64Å; Y320-Y430 AromaticContact CE2-CD2 3.77Å; Y320-Y430 HydrophobicContact CE2-CD2 3.77Å; Y320-Y430 AromaticContact CE2-CG 3.71Å; Y320-Y430 HydrophobicContact CE2-CG 3.71Å; Y320-Y430 HydrophobicContact CG-CD2 4.17Å; I321-Y430 PolarHBondContact O-N 2.92Å; H428-Y430 AromaticContact ND1-CD2 3.83Å; H428-Y430 AromaticContact ND1-CE2 3.78Å; H428-Y430 VanDerWaalsContact O-CD2 3.32Å; H428-Y430 WeakPolarHBondContact O-CD2 3.35Å; H428-Y430 PolarHBondContact O-N 2.77Å
431	R	91.9	Very high	90.9	Very high	83 Å²	83	47.6 Å²	47.6	31%	0.313	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-72.4	131.9	-174.2	-69.4	-178.4	179.3	-87.9	-10.9	110.1	F161 G162 F163 W435	F161-R431 PolarHBondContact O-NH1 3.1Å; G162-R431 CarbonylContact O-C 3.54Å; G162-R431 WeakPolarHBondContact O-CA 3.31Å; F163-R431 HydrophobicContact CD1-CG 4.24Å; F163-R431 VanDerWaalsContact CE1-CA 3.45Å; F163-R431 HydrophobicContact CE1-CB 4.02Å; F163-R431 HydrophobicContact CE1-CG 3.36Å; F163-R431 HydrophobicContact CE2-CG 4.29Å; F163-R431 HydrophobicContact CZ-CG 3.4Å; F163-R431 VanDerWaalsContact CZ-CG 3.4Å; R431-W435 HydrophobicContact CG-CE3 4.47Å
432	L	92.6	Very high	89.8	Confident	40 Å²	40	52.9 Å²	52.9	21%	0.209	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76.8	154.7	177.2	-60.8	174.6	0	0	0	111.2	I158 G162 N324	I158-L432 HydrophobicContact CD1-CD1 3.61Å; I158-L432 HydrophobicContact CG1-CD1 3.88Å; I158-L432 HydrophobicContact CG2-CB 3.98Å; G162-L432 PolarHBondContact O-N 2.85Å; N324-L432 HydrophobicContact CB-CD1 3.92Å; N324-L432 HydrophobicContact CB-CD2 4.48Å
433	Q	89.1	Confident	88.7	Confident	196 Å²	196	59.6 Å²	59.6	92%	0.916	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	141.9	171.8	-169.7	178.7	12.3	0	0	110.8
434	G	85.9	Confident	87.6	Confident	52 Å²	52	60.2 Å²	60.2	54%	0.536	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-6.6	179.7	0	0	0	0	0	114.6
435	W	91.8	Very high	86.3	Confident	82 Å²	82	62.7 Å²	62.7	31%	0.311	36%	0.356	S	S	.	.			trans	-61.6	133.1	167.6	-176.6	41.9	0	0	0	111.4	E160 R431 G437	E160-W435 PolarHBondContact O-NE1 3.23Å; R431-W435 HydrophobicContact CG-CE3 4.47Å; W435-G437 VanDerWaalsContact C-N 3.27Å; W435-G437 VanDerWaalsContact CZ2-CA 3.48Å; W435-G437 PolarHBondContact O-N 3.24Å
436	Q	85.3	Confident	84.8	Confident	144 Å²	144	67 Å²	67	67%	0.673	39%	0.388	S	S	*	.			trans	-80.1	-6.3	179.2	-63	-166.7	-60.5	0	0	114.2	K159	K159-Q436 HydrophobicContact CG-CG 3.74Å; K159-Q436 PolarHBondContact O-N 3.32Å
437	G	84.6	Confident	83.7	Confident	26 Å²	26	69.5 Å²	69.5	27%	0.268	41%	0.405	S	S	.	.			trans	75.2	171.4	-177.4	0	0	0	0	0	113.2	W435	W435-G437 VanDerWaalsContact C-N 3.27Å; W435-G437 VanDerWaalsContact CZ2-CA 3.48Å; W435-G437 PolarHBondContact O-N 3.24Å
438	N	78.9	Confident	83.2	Confident	50 Å²	50	70.1 Å²	70.1	27%	0.267	41%	0.409	S	S	.	.			trans	-104.2	101.2	166.7	-71.1	-51.3	0	0	0	108.2	R265	R265-N438 PolarHBondContact NH2-O 2.82Å
439	P	76.7	Confident	82.9	Confident	102 Å²	102	70.4 Å²	70.4	66%	0.662	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-58.8	139.1	-175.1	25.7	-34.4	0	0	0	109.6	R265	R265-P439 PolarHBondContact NH1-O 2.8Å
440	P	77.3	Confident	82.6	Confident	67 Å²	67	71.7 Å²	71.7	44%	0.435	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-57.9	154.4	-179.8	25.7	-34	0	0	0	111.1	V444	P440-V444 HydrophobicContact CB-CB 4.42Å
441	P	79.3	Confident	82.8	Confident	19 Å²	19	69.6 Å²	69.6	12%	0.123	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-56.9	144.8	175.4	-20.9	33	0	0	0	111.2	R265 I399 H443 V444	R265-P441 HydrophobicContact CB-CG 4.1Å; R265-P441 HydrophobicContact CG-CG 4.05Å; I399-P441 HydrophobicContact CD1-CG 3.96Å; P441-H443 WeakPolarHBondContact CB-CE1 3.44Å; P441-H443 WeakPolarHBondContact CB-ND1 3.39Å; P441-H443 PolarHBondContact O-N 3.12Å; P441-V444 HydrophobicContact CB-CG2 4.19Å; P441-V444 HydrophobicContact CG-CG2 4.17Å; P441-V444 WeakPolarHBondContact O-CB 3.39Å; P441-V444 PolarHBondContact O-N 3.39Å
442	A	76.4	Confident	83	Confident	113 Å²	113	65.7 Å²	65.7	93%	0.934	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.6	-175.9	0	0	0	0	0	114.9	V444	A442-V444 VanDerWaalsContact C-N 3.32Å
443	H	74.6	Confident	83.3	Confident	141 Å²	141	64.4 Å²	64.4	65%	0.653	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9	176.4	66.1	-98	0	0	0	113.5	P441	P441-H443 WeakPolarHBondContact CB-CE1 3.44Å; P441-H443 WeakPolarHBondContact CB-ND1 3.39Å; P441-H443 PolarHBondContact O-N 3.12Å
444	V	76.1	Confident	83.7	Confident	17 Å²	17	55.1 Å²	55.1	10%	0.103	35%	0.347	C	S	.	.	S	Bend	trans	-92.2	133.9	176.8	-178.3	0	0	0	0	108.1	I399 P440 P441 A442 P448	I399-V444 HydrophobicContact CD1-CG2 4.28Å; I399-V444 HydrophobicContact CG1-CG1 4.21Å; I399-V444 HydrophobicContact CG1-CG2 4.14Å; P440-V444 HydrophobicContact CB-CB 4.42Å; P441-V444 HydrophobicContact CB-CG2 4.19Å; P441-V444 HydrophobicContact CG-CG2 4.17Å; P441-V444 WeakPolarHBondContact O-CB 3.39Å; P441-V444 PolarHBondContact O-N 3.39Å; A442-V444 VanDerWaalsContact C-N 3.32Å; V444-P448 HydrophobicContact CG1-CB 3.51Å; V444-P448 HydrophobicContact CG1-CG 3.65Å
445	G	69.9	Low	84.2	Confident	51 Å²	51	53.2 Å²	53.2	53%	0.526	32%	0.323	S	S	.	.			trans	-60.2	173.5	-179.7	0	0	0	0	0	113.4	S447 P448	G445-S447 PolarHBondContact O-N 3.33Å; G445-S447 VanDerWaalsContact O-N 3.11Å; G445-P448 WeakPolarHBondContact O-CD 3.31Å
446	S	67.3	Low	84.6	Confident	101 Å²	101	49.3 Å²	49.3	71%	0.706	31%	0.309	S	S	*	.	S	Bend	trans	-60.8	-21.1	-175.3	54.8	0	0	0	0	114.5
447	S	76.3	Confident	85.2	Confident	52 Å²	52	42.5 Å²	42.5	36%	0.364	28%	0.277	S	S	.	.			trans	-147.2	68.3	-176.9	-71.2	0	0	0	0	113.5	G445 T449 L450 K451	G445-S447 PolarHBondContact O-N 3.33Å; G445-S447 VanDerWaalsContact O-N 3.11Å; S447-T449 PolarHBondContact O-N 3.49Å; S447-L450 PolarHBondContact O-N 2.68Å; S447-K451 PolarHBondContact O-N 3.28Å
448	P	87.6	Confident	85.9	Confident	13 Å²	13	42.4 Å²	42.4	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-35.8	179.2	24.4	-32.8	0	0	0	112.1	Q398 V444 G445 L450 K451 N452	Q398-P448 HydrophobicContact CB-CB 3.89Å; V444-P448 HydrophobicContact CG1-CB 3.51Å; V444-P448 HydrophobicContact CG1-CG 3.65Å; G445-P448 WeakPolarHBondContact O-CD 3.31Å; P448-L450 PolarHBondContact O-N 3.35Å; P448-K451 WeakPolarHBondContact O-CB 3.4Å; P448-K451 PolarHBondContact O-N 2.96Å; P448-N452 PolarHBondContact O-N 3.28Å; P448-N452 PolarHBondContact O-OD1 3.1Å; P448-N452 VanDerWaalsContact O-OD1 3.11Å
449	T	91.3	Very high	86.8	Confident	34 Å²	34	40.1 Å²	40.1	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-39.9	180	-55.1	0	0	0	0	112.7	W400 S447 K451 N452 Y453	W400-T449 HydrophobicContact CE3-CG2 4.29Å; W400-T449 HydrophobicContact CZ3-CG2 4.26Å; W400-T449 PolarHBondContact O-OG1 3.4Å; S447-T449 PolarHBondContact O-N 3.49Å; T449-K451 VanDerWaalsContact C-N 3.31Å; T449-K451 PolarHBondContact O-N 3.03Å; T449-N452 WeakPolarHBondContact O-CB 3.33Å; T449-N452 PolarHBondContact O-N 2.75Å; T449-Y453 HydrophobicContact CG2-CD1 4.21Å; T449-Y453 HydrophobicContact CG2-CE1 3.53Å; T449-Y453 HydrophobicContact CG2-CE2 3.9Å; T449-Y453 WeakPolarHBondContact CG2-OH 3.42Å; T449-Y453 VanDerWaalsContact O-CD1 3.28Å; T449-Y453 WeakPolarHBondContact O-CD1 3.4Å; T449-Y453 VanDerWaalsContact O-CG 3.25Å; T449-Y453 PolarHBondContact O-N 2.77Å
450	L	91.8	Very high	87.8	Confident	29 Å²	29	35.3 Å²	35.3	15%	0.152	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-41.9	174.7	-68.7	-179	0	0	0	111	S447 P448 N452 Y453 V454 T475 L478	S447-L450 PolarHBondContact O-N 2.68Å; P448-L450 PolarHBondContact O-N 3.35Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 3.35Å; L450-Y453 HydrophobicContact CD2-CD2 4.45Å; L450-Y453 PolarHBondContact O-N 3.04Å; L450-V454 WeakPolarHBondContact O-CG2 3.41Å; L450-V454 PolarHBondContact O-N 3.48Å; L450-V454 VanDerWaalsContact O-N 3.08Å; L450-T475 HydrophobicContact CB-CG2 4.36Å; L450-T475 HydrophobicContact CD1-CG2 4.5Å; L450-T475 HydrophobicContact CD2-CG2 4.15Å; L450-L478 HydrophobicContact CB-CD2 3.88Å
451	K	93.8	Very high	88.9	Confident	50 Å²	50	32.1 Å²	32.1	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-46.6	175.6	-168.1	-170.8	174.3	-179.9	0	110.9	S447 P448 T449 Y453 V454 R455 L478 A479 Y480	S447-K451 PolarHBondContact O-N 3.28Å; P448-K451 WeakPolarHBondContact O-CB 3.4Å; P448-K451 PolarHBondContact O-N 2.96Å; T449-K451 VanDerWaalsContact C-N 3.31Å; T449-K451 PolarHBondContact O-N 3.03Å; K451-Y453 VanDerWaalsContact C-N 3.35Å; K451-Y453 PolarHBondContact O-N 3.2Å; K451-V454 PolarHBondContact O-N 2.8Å; K451-R455 WeakPolarHBondContact O-CG 3.41Å; K451-R455 PolarHBondContact O-N 3.47Å; K451-R455 VanDerWaalsContact O-N 3.07Å; K451-L478 HydrophobicContact CB-CD2 4.18Å; K451-A479 WeakPolarHBondContact CE-O 3.34Å; K451-Y480 WeakPolarHBondContact CE-O 3.31Å
452	N	96.9	Very high	89.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-46.5	176.5	-66.2	-5.3	0	0	0	111.4	L397 Q398 W400 G401 P448 T449 L450 V454 R455 V456	L397-N452 WeakPolarHBondContact CA-OD1 3.3Å; L397-N452 HydrophobicContact CD2-CB 3.67Å; Q398-N452 PolarHBondContact N-ND2 3.31Å; Q398-N452 PolarHBondContact N-OD1 3.29Å; Q398-N452 PolarHBondContact O-ND2 3.43Å; W400-N452 PolarHBondContact O-ND2 3.46Å; G401-N452 WeakPolarHBondContact O-CB 3.28Å; G401-N452 PolarHBondContact O-ND2 2.86Å; P448-N452 PolarHBondContact O-N 3.28Å; P448-N452 PolarHBondContact O-OD1 3.1Å; P448-N452 VanDerWaalsContact O-OD1 3.11Å; T449-N452 WeakPolarHBondContact O-CB 3.33Å; T449-N452 PolarHBondContact O-N 2.75Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 3.35Å; N452-V454 VanDerWaalsContact C-N 3.34Å; N452-V454 PolarHBondContact O-N 2.81Å; N452-R455 WeakPolarHBondContact O-CB 3.48Å; N452-R455 PolarHBondContact O-N 3.5Å; N452-V456 WeakPolarHBondContact O-CG2 3.21Å; N452-V456 PolarHBondContact O-N 3.37Å
453	Y	97.6	Very high	90.8	Very high	14 Å²	14	34.8 Å²	34.8	6%	0.055	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-45.8	179	-64.9	-9.3	0	0	0	111.9	L348 T449 L450 K451 R455 V456 V457 F468	L348-Y453 HydrophobicContact CB-CD2 4.27Å; L348-Y453 HydrophobicContact CB-CG 4.29Å; L348-Y453 HydrophobicContact CD2-CD1 3.65Å; L348-Y453 HydrophobicContact CD2-CE1 4.38Å; L348-Y453 HydrophobicContact CD2-CG 3.72Å; L348-Y453 HydrophobicContact CG-CD1 4.39Å; L348-Y453 HydrophobicContact CG-CG 4.45Å; T449-Y453 HydrophobicContact CG2-CD1 4.21Å; T449-Y453 HydrophobicContact CG2-CE1 3.53Å; T449-Y453 HydrophobicContact CG2-CE2 3.9Å; T449-Y453 WeakPolarHBondContact CG2-OH 3.42Å; T449-Y453 VanDerWaalsContact O-CD1 3.28Å; T449-Y453 WeakPolarHBondContact O-CD1 3.4Å; T449-Y453 VanDerWaalsContact O-CG 3.25Å; T449-Y453 PolarHBondContact O-N 2.77Å; L450-Y453 HydrophobicContact CD2-CD2 4.45Å; L450-Y453 PolarHBondContact O-N 3.04Å; K451-Y453 VanDerWaalsContact C-N 3.35Å; K451-Y453 PolarHBondContact O-N 3.2Å; Y453-R455 VanDerWaalsContact C-N 3.34Å; Y453-R455 PolarHBondContact O-N 3.33Å; Y453-V456 PolarHBondContact O-N 2.94Å; Y453-V457 WeakPolarHBondContact O-CB 3.43Å; Y453-V457 VanDerWaalsContact O-CG2 3.28Å; Y453-V457 WeakPolarHBondContact O-CG2 3.48Å; Y453-V457 PolarHBondContact O-N 3.45Å; Y453-F468 HydrophobicContact CD2-CE2 4.45Å
454	V	97.6	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-42.7	177.4	179.9	0	0	0	0	111.4	L450 K451 N452 V456 V457 E458 F468 T475 L478 Y480	L450-V454 WeakPolarHBondContact O-CG2 3.41Å; L450-V454 PolarHBondContact O-N 3.48Å; L450-V454 VanDerWaalsContact O-N 3.08Å; K451-V454 PolarHBondContact O-N 2.8Å; N452-V454 VanDerWaalsContact C-N 3.34Å; N452-V454 PolarHBondContact O-N 2.81Å; V454-V456 VanDerWaalsContact C-N 3.34Å; V454-V456 PolarHBondContact O-N 3.47Å; V454-V457 PolarHBondContact O-N 2.88Å; V454-E458 HydrophobicContact CG1-CG 4.06Å; V454-E458 WeakPolarHBondContact O-CB 3.28Å; V454-E458 WeakPolarHBondContact O-CG 3.31Å; V454-E458 PolarHBondContact O-N 3.37Å; V454-F468 HydrophobicContact CG2-CE1 3.96Å; V454-F468 HydrophobicContact CG2-CZ 4.38Å; V454-T475 HydrophobicContact CG2-CG2 4.27Å; V454-L478 HydrophobicContact CG2-CD2 4.19Å; V454-Y480 HydrophobicContact CB-CD1 4.35Å; V454-Y480 HydrophobicContact CB-CG 4.43Å; V454-Y480 HydrophobicContact CG1-CD1 3.25Å; V454-Y480 HydrophobicContact CG1-CE1 3.88Å; V454-Y480 HydrophobicContact CG1-CG 3.66Å
455	R	98.1	Very high	92.9	Very high	12 Å²	12	32.3 Å²	32.3	5%	0.045	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-46.3	176	-66.8	177.5	65.8	74.6	1.5	111.7	D394 L397 K451 N452 Y453 V459 Y480 D482 I483	D394-R455 IonicContact OD1-CZ 3.38Å; D394-R455 IonicContact OD1-NE 3.7Å; D394-R455 IonicContact OD1-NH2 3.31Å; D394-R455 PolarHBondContact OD1-NH2 2.73Å; D394-R455 IonicContact OD2-CZ 2.86Å; D394-R455 IonicContact OD2-NE 3.27Å; D394-R455 PolarHBondContact OD2-NE 3Å; D394-R455 IonicContact OD2-NH2 3.41Å; D394-R455 PolarHBondContact OD2-NH2 2.93Å; D394-R455 VanDerWaalsContact OD2-NH2 3.12Å; L397-R455 HydrophobicContact CD2-CB 4.39Å; K451-R455 WeakPolarHBondContact O-CG 3.41Å; K451-R455 PolarHBondContact O-N 3.47Å; K451-R455 VanDerWaalsContact O-N 3.07Å; N452-R455 WeakPolarHBondContact O-CB 3.48Å; N452-R455 PolarHBondContact O-N 3.5Å; Y453-R455 VanDerWaalsContact C-N 3.34Å; Y453-R455 PolarHBondContact O-N 3.33Å; R455-V459 VanDerWaalsContact O-CG2 3.29Å; R455-V459 WeakPolarHBondContact O-CG2 3.47Å; R455-V459 PolarHBondContact O-N 2.78Å; R455-Y480 WeakPolarHBondContact CD-O 3.32Å; R455-Y480 HydrophobicContact CG-CD2 4.48Å; R455-Y480 WeakPolarHBondContact CG-O 3.49Å; R455-Y480 PolarHBondContact NH1-O 3.13Å; R455-D482 PolarHBondContact NH1-O 2.91Å; R455-D482 PolarHBondContact NH2-O 2.75Å; R455-I483 HydrophobicContact CB-CG2 4.4Å; R455-I483 HydrophobicContact CG-CG2 4.28Å
456	V	98.6	Very high	94.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-47.8	179.3	176.3	0	0	0	0	110.9	L397 F405 E406 Y409 N452 Y453 V454 V459 W460	L397-V456 HydrophobicContact CD2-CG2 4.25Å; F405-V456 HydrophobicContact CB-CG1 4.38Å; E406-V456 HydrophobicContact CB-CG1 4.39Å; E406-V456 HydrophobicContact CB-CG2 3.72Å; E406-V456 HydrophobicContact CG-CG2 3.98Å; Y409-V456 HydrophobicContact CD2-CG1 3.7Å; Y409-V456 HydrophobicContact CE2-CG1 3.62Å; N452-V456 WeakPolarHBondContact O-CG2 3.21Å; N452-V456 PolarHBondContact O-N 3.37Å; Y453-V456 PolarHBondContact O-N 2.94Å; V454-V456 VanDerWaalsContact C-N 3.34Å; V454-V456 PolarHBondContact O-N 3.47Å; V456-V459 PolarHBondContact O-N 3.35Å; V456-W460 WeakPolarHBondContact O-CB 3.4Å; V456-W460 PolarHBondContact O-N 3.37Å
457	V	98.5	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-46.2	-178.8	168.6	0	0	0	0	111.3	L348 Y453 V454 V459 W460 W461 K465 F468	L348-V457 HydrophobicContact CD2-CG2 4.28Å; Y453-V457 WeakPolarHBondContact O-CB 3.43Å; Y453-V457 VanDerWaalsContact O-CG2 3.28Å; Y453-V457 WeakPolarHBondContact O-CG2 3.48Å; Y453-V457 PolarHBondContact O-N 3.45Å; V454-V457 PolarHBondContact O-N 2.88Å; V457-V459 PolarHBondContact O-N 3.19Å; V457-W460 PolarHBondContact O-N 3.18Å; V457-W461 HydrophobicContact CB-CD2 4.48Å; V457-W461 HydrophobicContact CB-CG 4.41Å; V457-W461 HydrophobicContact CG1-CB 4.12Å; V457-W461 HydrophobicContact CG1-CD2 4.34Å; V457-W461 HydrophobicContact CG1-CE3 4.21Å; V457-W461 HydrophobicContact CG1-CG 4.3Å; V457-W461 HydrophobicContact CG2-CD2 3.88Å; V457-W461 HydrophobicContact CG2-CE3 4.01Å; V457-W461 HydrophobicContact CG2-CG 4.24Å; V457-W461 HydrophobicContact CG2-CZ3 4.44Å; V457-W461 WeakPolarHBondContact O-CB 3.35Å; V457-W461 PolarHBondContact O-N 3.18Å; V457-K465 HydrophobicContact CG1-CB 3.28Å; V457-F468 HydrophobicContact CB-CD1 4.34Å; V457-F468 HydrophobicContact CB-CG 4.49Å; V457-F468 HydrophobicContact CG1-CB 4.06Å; V457-F468 HydrophobicContact CG1-CD1 4.03Å; V457-F468 HydrophobicContact CG1-CG 4.18Å; V457-F468 HydrophobicContact CG2-CB 4.16Å; V457-F468 HydrophobicContact CG2-CD1 4.06Å; V457-F468 HydrophobicContact CG2-CD2 4.01Å; V457-F468 HydrophobicContact CG2-CE1 4.48Å; V457-F468 HydrophobicContact CG2-CE2 4.43Å; V457-F468 HydrophobicContact CG2-CG 3.8Å
458	E	98.4	Very high	96.7	Very high	24 Å²	24	30.4 Å²	30.4	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-21.7	-179	-78.4	-63.6	157	0	0	114.4	V454 K465 Y469 Y480 I483 K487	V454-E458 HydrophobicContact CG1-CG 4.06Å; V454-E458 WeakPolarHBondContact O-CB 3.28Å; V454-E458 WeakPolarHBondContact O-CG 3.31Å; V454-E458 PolarHBondContact O-N 3.37Å; E458-K465 IonicContact OE1-NZ 2.72Å; E458-K465 PolarHBondContact OE1-NZ 3.15Å; E458-K465 IonicContact OE2-NZ 3.16Å; E458-K465 PolarHBondContact OE2-NZ 3.31Å; E458-Y469 WeakPolarHBondContact OE1-CE2 3.36Å; E458-Y469 PolarHBondContact OE1-OH 2.74Å; E458-Y480 HydrophobicContact CG-CE1 4.15Å; E458-Y480 HydrophobicContact CG-CE2 4.4Å; E458-I483 HydrophobicContact CB-CD1 3.65Å; E458-K487 WeakPolarHBondContact O-CE 3.26Å
459	V	98.6	Very high	97.1	Very high	2 Å²	2	31 Å²	31	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-92.6	-41.4	176.5	177.2	0	0	0	0	111.5	R455 V456 V457 I483 L486 K487 R490	R455-V459 VanDerWaalsContact O-CG2 3.29Å; R455-V459 WeakPolarHBondContact O-CG2 3.47Å; R455-V459 PolarHBondContact O-N 2.78Å; V456-V459 PolarHBondContact O-N 3.35Å; V457-V459 PolarHBondContact O-N 3.19Å; V459-I483 HydrophobicContact CG2-CB 3.9Å; V459-I483 HydrophobicContact CG2-CD1 4Å; V459-I483 HydrophobicContact CG2-CG1 4.45Å; V459-I483 HydrophobicContact CG2-CG2 4.24Å; V459-L486 HydrophobicContact CG1-CB 3.96Å; V459-L486 HydrophobicContact CG2-CB 3.82Å; V459-L486 HydrophobicContact CG2-CD1 3.99Å; V459-K487 HydrophobicContact CG2-CG 4.38Å; V459-R490 WeakPolarHBondContact O-CD 3.39Å; V459-R490 PolarHBondContact O-NH1 2.95Å
460	W	98.7	Very high	97.3	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-113.2	-17.1	-162	-65.5	105.3	0	0	0	115.9	Y409 K410 Q413 V456 V457 F489 R490 C495 F498	Y409-W460 HydrophobicContact CD2-CB 3.85Å; Y409-W460 HydrophobicContact CD2-CG 4.22Å; Y409-W460 HydrophobicContact CG-CB 4.26Å; K410-W460 HydrophobicContact CB-CH2 4.24Å; K410-W460 HydrophobicContact CB-CZ2 4.24Å; K410-W460 HydrophobicContact CD-CZ2 4.14Å; K410-W460 HydrophobicContact CG-CH2 3.5Å; K410-W460 VanDerWaalsContact CG-CH2 3.5Å; K410-W460 HydrophobicContact CG-CZ2 3.13Å; K410-W460 HydrophobicContact CG-CZ3 4.44Å; Q413-W460 HydrophobicContact CB-CE3 4.46Å; Q413-W460 HydrophobicContact CB-CZ3 4.22Å; Q413-W460 PolarHBondContact NE2-O 2.85Å; V456-W460 WeakPolarHBondContact O-CB 3.4Å; V456-W460 PolarHBondContact O-N 3.37Å; V457-W460 PolarHBondContact O-N 3.18Å; W460-F489 HydrophobicContact CH2-CD1 4.25Å; W460-F489 HydrophobicContact CH2-CE1 4.15Å; W460-R490 HydrophobicContact CE3-CG 4.39Å; W460-R490 HydrophobicContact CH2-CB 4.3Å; W460-R490 HydrophobicContact CH2-CG 4.16Å; W460-R490 HydrophobicContact CZ3-CB 4.45Å; W460-R490 HydrophobicContact CZ3-CG 3.82Å; W460-C495 HydrophobicContact CZ3-CB 4.35Å; W460-F498 VanDerWaalsContact O-CB 3.32Å; W460-F498 WeakPolarHBondContact O-CB 3.26Å; W460-F498 WeakPolarHBondContact O-CD2 3.45Å; W460-F498 WeakPolarHBondContact O-CG 3.12Å
461	W	98.6	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.			trans	-95.7	-7.4	-170.1	-79.4	26.3	0	0	0	115.2	W344 W346 L348 Y409 V457 D463 Y464 K465 F468 F498	W344-W461 AromaticContact CD1-CH2 3.64Å; W344-W461 AromaticContact CD1-CZ2 3.58Å; W344-W461 HydrophobicContact CG-CZ2 4.47Å; W344-W461 AromaticContact NE1-CH2 3.52Å; W344-W461 AromaticContact NE1-CZ2 3.26Å; W344-W461 VanDerWaalsContact NE1-CZ2 3.26Å; W346-W461 HydrophobicContact CE3-CH2 4.08Å; W346-W461 AromaticContact CE3-CZ3 3.79Å; W346-W461 HydrophobicContact CE3-CZ3 3.79Å; W346-W461 HydrophobicContact CZ3-CH2 4.4Å; W346-W461 HydrophobicContact CZ3-CZ3 4.13Å; L348-W461 HydrophobicContact CD1-CH2 3.85Å; L348-W461 HydrophobicContact CD1-CZ2 3.25Å; Y409-W461 AromaticContact CD2-NE1 3.95Å; Y409-W461 AromaticContact CE2-CD1 3.87Å; Y409-W461 AromaticContact CE2-NE1 3.13Å; Y409-W461 AromaticContact CZ-NE1 3.34Å; Y409-W461 VanDerWaalsContact CZ-NE1 3.34Å; Y409-W461 PolarHBondContact OH-NE1 3.03Å; V457-W461 HydrophobicContact CB-CD2 4.48Å; V457-W461 HydrophobicContact CB-CG 4.41Å; V457-W461 HydrophobicContact CG1-CB 4.12Å; V457-W461 HydrophobicContact CG1-CD2 4.34Å; V457-W461 HydrophobicContact CG1-CE3 4.21Å; V457-W461 HydrophobicContact CG1-CG 4.3Å; V457-W461 HydrophobicContact CG2-CD2 3.88Å; V457-W461 HydrophobicContact CG2-CE3 4.01Å; V457-W461 HydrophobicContact CG2-CG 4.24Å; V457-W461 HydrophobicContact CG2-CZ3 4.44Å; V457-W461 WeakPolarHBondContact O-CB 3.35Å; V457-W461 PolarHBondContact O-N 3.18Å; W461-D463 PolarHBondContact O-N 2.59Å; W461-Y464 VanDerWaalsContact O-CB 3.31Å; W461-Y464 WeakPolarHBondContact O-CB 3.44Å; W461-Y464 PolarHBondContact O-N 3.42Å; W461-K465 HydrophobicContact CB-CB 4.44Å; W461-F468 HydrophobicContact CE3-CB 4.07Å; W461-F468 HydrophobicContact CZ3-CB 3.78Å; W461-F498 HydrophobicContact CB-CD1 4.35Å; W461-F498 HydrophobicContact CB-CE1 4.46Å; W461-F498 HydrophobicContact CB-CG 4.46Å; W461-F498 AromaticContact CD1-CD2 3.89Å; W461-F498 AromaticContact CD1-CE2 3.42Å; W461-F498 VanDerWaalsContact CD1-CE2 3.42Å; W461-F498 AromaticContact CD1-CZ 3.56Å; W461-F498 HydrophobicContact CD2-CE1 4.11Å; W461-F498 AromaticContact CD2-CZ 3.97Å; W461-F498 HydrophobicContact CD2-CZ 3.97Å; W461-F498 AromaticContact CE2-CZ 3.67Å; W461-F498 HydrophobicContact CG-CD1 4.36Å; W461-F498 HydrophobicContact CG-CD2 4.41Å; W461-F498 HydrophobicContact CG-CE1 4.03Å; W461-F498 HydrophobicContact CG-CE2 4.09Å; W461-F498 AromaticContact CG-CZ 3.88Å; W461-F498 HydrophobicContact CG-CZ 3.88Å; W461-F498 HydrophobicContact CZ2-CZ 4.3Å; W461-F498 AromaticContact NE1-CE2 3.52Å; W461-F498 AromaticContact NE1-CZ 3.42Å; W461-F498 WeakPolarHBondContact O-CB 3.17Å
462	D	98.4	Very high	97.4	Very high	55 Å²	55	27.9 Å²	27.9	29%	0.294	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	49	-131.6	-175.9	-57.1	-32.5	0	0	0	110.7	Y464 K465 R490 S497 F498	D462-Y464 PolarHBondContact O-N 3.48Å; D462-K465 WeakPolarHBondContact O-CD 3.4Å; D462-K465 WeakPolarHBondContact O-CG 3.41Å; D462-K465 PolarHBondContact O-N 2.68Å; D462-R490 VanDerWaalsContact CG-NH2 3.29Å; D462-R490 IonicContact OD1-CZ 2.83Å; D462-R490 VanDerWaalsContact OD1-CZ 3.24Å; D462-R490 IonicContact OD1-NH1 3.33Å; D462-R490 PolarHBondContact OD1-NH1 3.47Å; D462-R490 IonicContact OD1-NH2 2.74Å; D462-R490 PolarHBondContact OD1-NH2 3.11Å; D462-R490 IonicContact OD2-CZ 3.72Å; D462-R490 IonicContact OD2-NH1 3.77Å; D462-R490 IonicContact OD2-NH2 3.12Å; D462-R490 PolarHBondContact OD2-NH2 2.88Å; D462-S497 WeakPolarHBondContact OD2-CA 3.32Å; D462-F498 HydrophobicContact CB-CB 4.32Å; D462-F498 PolarHBondContact OD2-N 3.06Å
463	D	97.6	Very high	97.2	Very high	134 Å²	134	28 Å²	28	72%	0.717	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-67.6	-15.8	178.9	-58.4	-30.8	0	0	0	113.6	W461 K465 D466	W461-D463 PolarHBondContact O-N 2.59Å; D463-K465 PolarHBondContact O-N 3.33Å; D463-D466 PolarHBondContact O-N 3.29Å
464	Y	98.3	Very high	96.8	Very high	42 Å²	42	28.6 Å²	28.6	17%	0.165	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-71.9	-11	178	-74.2	-106.9	0	0	0	112.9	W346 W461 D462 D466 Y467 F498 K499 M502 L515	W346-Y464 AromaticContact CH2-CD1 3.72Å; W346-Y464 HydrophobicContact CH2-CD1 3.72Å; W346-Y464 HydrophobicContact CH2-CE1 4.12Å; W346-Y464 AromaticContact CZ3-CD1 3.71Å; W346-Y464 HydrophobicContact CZ3-CD1 3.71Å; W461-Y464 VanDerWaalsContact O-CB 3.31Å; W461-Y464 WeakPolarHBondContact O-CB 3.44Å; W461-Y464 PolarHBondContact O-N 3.42Å; D462-Y464 PolarHBondContact O-N 3.48Å; Y464-D466 PolarHBondContact O-N 2.86Å; Y464-Y467 AromaticContact CD1-CD2 3.73Å; Y464-Y467 HydrophobicContact CD1-CD2 3.73Å; Y464-Y467 AromaticContact CD1-CE2 3.68Å; Y464-Y467 HydrophobicContact CD1-CE2 3.68Å; Y464-Y467 HydrophobicContact CE1-CE2 4.19Å; Y464-Y467 HydrophobicContact CG-CD2 4.16Å; Y464-Y467 HydrophobicContact CG-CE2 4.17Å; Y464-Y467 WeakPolarHBondContact O-CB 3.09Å; Y464-Y467 WeakPolarHBondContact O-CD2 3.32Å; Y464-Y467 PolarHBondContact O-N 2.89Å; Y464-F498 HydrophobicContact CD1-CD1 4.25Å; Y464-F498 HydrophobicContact CD1-CE1 4.19Å; Y464-F498 AromaticContact CD2-CD1 3.62Å; Y464-F498 HydrophobicContact CD2-CD1 3.62Å; Y464-F498 HydrophobicContact CD2-CE1 4.36Å; Y464-F498 HydrophobicContact CE2-CD1 4.31Å; Y464-F498 AromaticContact CG-CD1 3.58Å; Y464-F498 HydrophobicContact CG-CD1 3.58Å; Y464-F498 AromaticContact CG-CE1 3.87Å; Y464-F498 HydrophobicContact CG-CE1 3.87Å; Y464-K499 HydrophobicContact CE2-CB 4.16Å; Y464-M502 HydrophobicContact CD1-CG 4.32Å; Y464-M502 HydrophobicContact CE1-CB 4.37Å; Y464-M502 HydrophobicContact CE1-CG 3.92Å; Y464-M502 HydrophobicContact CE2-CG 4.49Å; Y464-L515 HydrophobicContact CD1-CD2 4.39Å; Y464-L515 HydrophobicContact CE1-CD2 4.35Å
465	K	97.8	Very high	96.6	Very high	63 Å²	63	28.7 Å²	28.7	27%	0.274	14%	0.139	S	C	.	.	H	α-helix	trans	-57.8	-26.9	173.1	70.3	-170.9	-172.4	167.9	0	113.2	V457 E458 W461 D462 D463 Y467 F468 Y469	V457-K465 HydrophobicContact CG1-CB 3.28Å; E458-K465 IonicContact OE1-NZ 2.72Å; E458-K465 PolarHBondContact OE1-NZ 3.15Å; E458-K465 IonicContact OE2-NZ 3.16Å; E458-K465 PolarHBondContact OE2-NZ 3.31Å; W461-K465 HydrophobicContact CB-CB 4.44Å; D462-K465 WeakPolarHBondContact O-CD 3.4Å; D462-K465 WeakPolarHBondContact O-CG 3.41Å; D462-K465 PolarHBondContact O-N 2.68Å; D463-K465 PolarHBondContact O-N 3.33Å; K465-Y467 PolarHBondContact O-N 3.21Å; K465-F468 WeakPolarHBondContact O-CB 3.41Å; K465-F468 PolarHBondContact O-N 3.49Å; K465-Y469 HydrophobicContact CB-CD2 4.3Å; K465-Y469 HydrophobicContact CB-CE2 4.1Å; K465-Y469 HydrophobicContact CD-CE2 4.29Å; K465-Y469 HydrophobicContact CG-CD2 4.34Å; K465-Y469 HydrophobicContact CG-CE2 4.15Å; K465-Y469 WeakPolarHBondContact O-CD2 3.31Å; K465-Y469 PolarHBondContact O-N 3.15Å
466	D	96.9	Very high	96.2	Very high	91 Å²	91	32.6 Å²	32.6	49%	0.487	16%	0.16	S	C	.	.	H	α-helix	trans	-58.4	-35.4	175.7	-73.4	1.7	0	0	0	111.9	D463 Y464 Y469 A470	D463-D466 PolarHBondContact O-N 3.29Å; Y464-D466 PolarHBondContact O-N 2.86Å; D466-Y469 PolarHBondContact O-N 2.63Å; D466-A470 WeakPolarHBondContact O-CB 3.44Å; D466-A470 PolarHBondContact O-N 3.29Å
467	Y	97.3	Very high	95.7	Very high	74 Å²	74	36.5 Å²	36.5	29%	0.29	18%	0.184	S	C	.	.	H	α-helix	trans	-72	-33.1	177.1	-58.4	-61.1	0	0	0	112.6	W346 Y464 K465 S471 L515 P516	W346-Y467 HydrophobicContact CE3-CD2 4.31Å; W346-Y467 HydrophobicContact CE3-CG 4.28Å; W346-Y467 HydrophobicContact CZ3-CD2 4.21Å; Y464-Y467 AromaticContact CD1-CD2 3.73Å; Y464-Y467 HydrophobicContact CD1-CD2 3.73Å; Y464-Y467 AromaticContact CD1-CE2 3.68Å; Y464-Y467 HydrophobicContact CD1-CE2 3.68Å; Y464-Y467 HydrophobicContact CE1-CE2 4.19Å; Y464-Y467 HydrophobicContact CG-CD2 4.16Å; Y464-Y467 HydrophobicContact CG-CE2 4.17Å; Y464-Y467 WeakPolarHBondContact O-CB 3.09Å; Y464-Y467 WeakPolarHBondContact O-CD2 3.32Å; Y464-Y467 PolarHBondContact O-N 2.89Å; K465-Y467 PolarHBondContact O-N 3.21Å; Y467-S471 WeakPolarHBondContact O-CB 3.38Å; Y467-S471 PolarHBondContact O-N 2.9Å; Y467-S471 VanDerWaalsContact O-N 3.09Å; Y467-S471 PolarHBondContact O-OG 3.49Å; Y467-L515 HydrophobicContact CD1-CB 4.14Å; Y467-L515 HydrophobicContact CD1-CD2 4.11Å; Y467-L515 HydrophobicContact CD2-CD2 3.67Å; Y467-L515 HydrophobicContact CE1-CB 3.9Å; Y467-L515 HydrophobicContact CE1-CD1 4.46Å; Y467-L515 HydrophobicContact CE1-CD2 4.05Å; Y467-L515 HydrophobicContact CE1-CG 4.37Å; Y467-L515 HydrophobicContact CE2-CD1 4.47Å; Y467-L515 HydrophobicContact CE2-CD2 3.62Å; Y467-L515 HydrophobicContact CG-CD2 3.93Å; Y467-P516 HydrophobicContact CD1-CG 4.04Å; Y467-P516 HydrophobicContact CG-CG 4.38Å; Y467-P516 WeakPolarHBondContact O-CG 3.48Å
468	F	97.4	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-49.2	171.7	174.7	-99	0	0	0	111.1	W346 L348 Y453 V454 V457 W461 K465 A470 S471 R472 T475	W346-F468 VanDerWaalsContact O-CA 3.3Å; W346-F468 WeakPolarHBondContact O-CA 3.48Å; L348-F468 HydrophobicContact CB-CD2 4.19Å; L348-F468 HydrophobicContact CB-CE2 4.04Å; Y453-F468 HydrophobicContact CD2-CE2 4.45Å; V454-F468 HydrophobicContact CG2-CE1 3.96Å; V454-F468 HydrophobicContact CG2-CZ 4.38Å; V457-F468 HydrophobicContact CB-CD1 4.34Å; V457-F468 HydrophobicContact CB-CG 4.49Å; V457-F468 HydrophobicContact CG1-CB 4.06Å; V457-F468 HydrophobicContact CG1-CD1 4.03Å; V457-F468 HydrophobicContact CG1-CG 4.18Å; V457-F468 HydrophobicContact CG2-CB 4.16Å; V457-F468 HydrophobicContact CG2-CD1 4.06Å; V457-F468 HydrophobicContact CG2-CD2 4.01Å; V457-F468 HydrophobicContact CG2-CE1 4.48Å; V457-F468 HydrophobicContact CG2-CE2 4.43Å; V457-F468 HydrophobicContact CG2-CG 3.8Å; W461-F468 HydrophobicContact CE3-CB 4.07Å; W461-F468 HydrophobicContact CZ3-CB 3.78Å; K465-F468 WeakPolarHBondContact O-CB 3.41Å; K465-F468 PolarHBondContact O-N 3.49Å; F468-A470 VanDerWaalsContact C-N 3.3Å; F468-A470 PolarHBondContact O-N 3.32Å; F468-S471 CarbonylContact O-C 3.5Å; F468-S471 WeakPolarHBondContact O-CB 3.32Å; F468-S471 PolarHBondContact O-N 2.85Å; F468-R472 HydrophobicContact CE2-CG 4.47Å; F468-R472 HydrophobicContact CZ-CB 4.37Å; F468-R472 PolarHBondContact O-N 2.86Å; F468-T475 HydrophobicContact CE1-CG2 4.44Å; F468-T475 VanDerWaalsContact CE1-OG1 3.29Å; F468-T475 WeakPolarHBondContact CE1-OG1 3.29Å; F468-T475 HydrophobicContact CZ-CG2 4.33Å
469	Y	96.5	Very high	94.8	Very high	26 Å²	26	40.9 Å²	40.9	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-26.8	178.2	-67.9	-55.5	0	0	0	113.5	E458 K465 D466 S471 R472 P473 L476	E458-Y469 WeakPolarHBondContact OE1-CE2 3.36Å; E458-Y469 PolarHBondContact OE1-OH 2.74Å; K465-Y469 HydrophobicContact CB-CD2 4.3Å; K465-Y469 HydrophobicContact CB-CE2 4.1Å; K465-Y469 HydrophobicContact CD-CE2 4.29Å; K465-Y469 HydrophobicContact CG-CD2 4.34Å; K465-Y469 HydrophobicContact CG-CE2 4.15Å; K465-Y469 WeakPolarHBondContact O-CD2 3.31Å; K465-Y469 PolarHBondContact O-N 3.15Å; D466-Y469 PolarHBondContact O-N 2.63Å; Y469-S471 VanDerWaalsContact C-N 3.34Å; Y469-R472 CarbonylContact O-C 3.57Å; Y469-P473 WeakPolarHBondContact O-CA 3.33Å; Y469-P473 VanDerWaalsContact O-CB 3.32Å; Y469-P473 WeakPolarHBondContact O-CB 3.29Å; Y469-P473 VanDerWaalsContact O-N 3.1Å; Y469-L476 HydrophobicContact CD1-CD2 3.59Å; Y469-L476 HydrophobicContact CD1-CG 3.89Å; Y469-L476 HydrophobicContact CD2-CD2 4.13Å; Y469-L476 HydrophobicContact CE1-CD2 4.18Å; Y469-L476 HydrophobicContact CG-CD2 3.56Å; Y469-L476 HydrophobicContact CG-CG 4.21Å
470	A	95.1	Very high	94.5	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-36.9	168.5	0	0	0	0	0	111.6	D466 F468 P516 N519 R560	D466-A470 WeakPolarHBondContact O-CB 3.44Å; D466-A470 PolarHBondContact O-N 3.29Å; F468-A470 VanDerWaalsContact C-N 3.3Å; F468-A470 PolarHBondContact O-N 3.32Å; A470-P516 HydrophobicContact CB-CG 4.4Å; A470-N519 WeakPolarHBondContact CA-ND2 3.25Å; A470-N519 PolarHBondContact O-ND2 2.75Å; A470-N519 PolarHBondContact O-OD1 3.21Å; A470-R560 VanDerWaalsContact O-CD 3.23Å; A470-R560 WeakPolarHBondContact O-CD 3.34Å
471	S	94.6	Very high	94.3	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-77.4	-38.7	-179	-60.6	0	0	0	0	112.8	W346 S347 Y467 F468 Y469 R560	W346-S471 WeakPolarHBondContact CB-OG 3.25Å; W346-S471 WeakPolarHBondContact O-CB 3.32Å; W346-S471 PolarHBondContact O-OG 2.67Å; S347-S471 WeakPolarHBondContact OG-CB 3.43Å; Y467-S471 WeakPolarHBondContact O-CB 3.38Å; Y467-S471 PolarHBondContact O-N 2.9Å; Y467-S471 VanDerWaalsContact O-N 3.09Å; Y467-S471 PolarHBondContact O-OG 3.49Å; F468-S471 CarbonylContact O-C 3.5Å; F468-S471 WeakPolarHBondContact O-CB 3.32Å; F468-S471 PolarHBondContact O-N 2.85Å; Y469-S471 VanDerWaalsContact C-N 3.34Å; S471-R560 PolarHBondContact O-NH1 2.83Å
472	R	93.1	Very high	94.2	Very high	27 Å²	27	51.5 Å²	51.5	10%	0.102	28%	0.282	C	S	.	.			trans	-127.6	65.7	-179.2	-63.7	-165.1	-178.2	-135.7	-3.4	112	S347 L349 F468 Y469 E474 T475	S347-R472 PolarHBondContact O-NE 2.8Å; S347-R472 PolarHBondContact O-NH2 2.98Å; L349-R472 VanDerWaalsContact CD2-NH2 3.29Å; F468-R472 HydrophobicContact CE2-CG 4.47Å; F468-R472 HydrophobicContact CZ-CB 4.37Å; F468-R472 PolarHBondContact O-N 2.86Å; Y469-R472 CarbonylContact O-C 3.57Å; R472-E474 WeakPolarHBondContact CA-OE2 3.4Å; R472-E474 PolarHBondContact O-N 2.9Å; R472-T475 HydrophobicContact CB-CG2 4.04Å; R472-T475 PolarHBondContact O-N 2.66Å; R472-T475 PolarHBondContact O-OG1 3.34Å
473	P	93.4	Very high	94.2	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.026	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.4	-20.3	-175.5	30.5	-38.2	0	0	0	113.4	Y469 T475 L476 W522	Y469-P473 WeakPolarHBondContact O-CA 3.33Å; Y469-P473 VanDerWaalsContact O-CB 3.32Å; Y469-P473 WeakPolarHBondContact O-CB 3.29Å; Y469-P473 VanDerWaalsContact O-N 3.1Å; P473-T475 PolarHBondContact O-N 3.12Å; P473-L476 HydrophobicContact CB-CD1 4.3Å; P473-L476 WeakPolarHBondContact O-CB 3.17Å; P473-L476 WeakPolarHBondContact O-CG 3.29Å; P473-L476 PolarHBondContact O-N 2.84Å; P473-L476 VanDerWaalsContact O-N 3.14Å; P473-W522 HydrophobicContact CB-CB 4.01Å; P473-W522 HydrophobicContact CB-CD2 3.47Å; P473-W522 VanDerWaalsContact CB-CD2 3.47Å; P473-W522 HydrophobicContact CB-CE3 4.07Å; P473-W522 HydrophobicContact CB-CG 3.42Å; P473-W522 VanDerWaalsContact CB-CG 3.42Å; P473-W522 HydrophobicContact CB-CZ2 4.39Å; P473-W522 HydrophobicContact CG-CB 3.57Å; P473-W522 HydrophobicContact CG-CD2 3.66Å; P473-W522 HydrophobicContact CG-CE3 3.91Å; P473-W522 HydrophobicContact CG-CG 3.51Å; P473-W522 WeakPolarHBondContact O-CH2 3.24Å; P473-W522 VanDerWaalsContact O-CZ2 3.31Å; P473-W522 WeakPolarHBondContact O-CZ2 3.36Å
474	E	90.1	Very high	94.2	Very high	26 Å²	26	46.2 Å²	46.2	12%	0.121	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-58.9	-17.5	171.7	69.6	-80.9	-168.7	0	0	113.8	R472 W522 L558	R472-E474 WeakPolarHBondContact CA-OE2 3.4Å; R472-E474 PolarHBondContact O-N 2.9Å; E474-W522 HydrophobicContact CB-CZ3 4.14Å; E474-L558 HydrophobicContact CB-CD2 3.79Å; E474-L558 HydrophobicContact CG-CD2 3.91Å; E474-L558 WeakPolarHBondContact OE2-CD2 3.46Å
475	T	92	Very high	94.2	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-89.9	-8.5	-179.9	65.3	0	0	0	0	114.2	L450 V454 F468 R472 P473 T477 L478	L450-T475 HydrophobicContact CB-CG2 4.36Å; L450-T475 HydrophobicContact CD1-CG2 4.5Å; L450-T475 HydrophobicContact CD2-CG2 4.15Å; V454-T475 HydrophobicContact CG2-CG2 4.27Å; F468-T475 HydrophobicContact CE1-CG2 4.44Å; F468-T475 VanDerWaalsContact CE1-OG1 3.29Å; F468-T475 WeakPolarHBondContact CE1-OG1 3.29Å; F468-T475 HydrophobicContact CZ-CG2 4.33Å; R472-T475 HydrophobicContact CB-CG2 4.04Å; R472-T475 PolarHBondContact O-N 2.66Å; R472-T475 PolarHBondContact O-OG1 3.34Å; P473-T475 PolarHBondContact O-N 3.12Å; T475-T477 PolarHBondContact O-N 2.8Å; T475-T477 VanDerWaalsContact O-N 3.16Å; T475-L478 VanDerWaalsContact O-CB 3.29Å; T475-L478 WeakPolarHBondContact O-CB 3.34Å; T475-L478 PolarHBondContact O-N 3.02Å; T475-L478 VanDerWaalsContact O-N 3.09Å
476	L	90.8	Very high	94.2	Very high	93 Å²	93	48.7 Å²	48.7	49%	0.487	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.1	-176.6	-81.7	166.9	0	0	0	114.1	Y469 P473 W522	Y469-L476 HydrophobicContact CD1-CD2 3.59Å; Y469-L476 HydrophobicContact CD1-CG 3.89Å; Y469-L476 HydrophobicContact CD2-CD2 4.13Å; Y469-L476 HydrophobicContact CE1-CD2 4.18Å; Y469-L476 HydrophobicContact CG-CD2 3.56Å; Y469-L476 HydrophobicContact CG-CG 4.21Å; P473-L476 HydrophobicContact CB-CD1 4.3Å; P473-L476 WeakPolarHBondContact O-CB 3.17Å; P473-L476 WeakPolarHBondContact O-CG 3.29Å; P473-L476 PolarHBondContact O-N 2.84Å; P473-L476 VanDerWaalsContact O-N 3.14Å; L476-W522 HydrophobicContact CD1-CZ2 4.49Å
477	T	86.4	Confident	94.2	Very high	84 Å²	84	48.1 Å²	48.1	52%	0.515	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	4.9	-177.4	55.8	0	0	0	0	112.8	T475 A479	T475-T477 PolarHBondContact O-N 2.8Å; T475-T477 VanDerWaalsContact O-N 3.16Å; T477-A479 PolarHBondContact O-N 3.04Å
478	L	89.1	Confident	94.2	Very high	31 Å²	31	50.8 Å²	50.8	16%	0.162	28%	0.276	C	S	.	.			trans	-72.5	127.7	-173.9	-172.5	65.5	0	0	0	111.1	L450 K451 V454 T475 Y480	L450-L478 HydrophobicContact CB-CD2 3.88Å; K451-L478 HydrophobicContact CB-CD2 4.18Å; V454-L478 HydrophobicContact CG2-CD2 4.19Å; T475-L478 VanDerWaalsContact O-CB 3.29Å; T475-L478 WeakPolarHBondContact O-CB 3.34Å; T475-L478 PolarHBondContact O-N 3.02Å; T475-L478 VanDerWaalsContact O-N 3.09Å; L478-Y480 VanDerWaalsContact O-CD1 3.32Å; L478-Y480 WeakPolarHBondContact O-CD1 3.4Å; L478-Y480 PolarHBondContact O-N 2.98Å
479	A	90.3	Very high	94.2	Very high	85 Å²	85	52.1 Å²	52.1	70%	0.702	28%	0.282	S	S	*	.			trans	-72.6	97.4	175.7	0	0	0	0	0	111.3	K451 T477	K451-A479 WeakPolarHBondContact CE-O 3.34Å; T477-A479 PolarHBondContact O-N 3.04Å
480	Y	92.7	Very high	94.3	Very high	70 Å²	70	52.5 Å²	52.5	28%	0.275	28%	0.283	S	S	.	.			trans	-88.7	-3.1	-176.7	57.5	-99.3	0	0	0	115.2	K451 V454 R455 E458 L478 I483	K451-Y480 WeakPolarHBondContact CE-O 3.31Å; V454-Y480 HydrophobicContact CB-CD1 4.35Å; V454-Y480 HydrophobicContact CB-CG 4.43Å; V454-Y480 HydrophobicContact CG1-CD1 3.25Å; V454-Y480 HydrophobicContact CG1-CE1 3.88Å; V454-Y480 HydrophobicContact CG1-CG 3.66Å; R455-Y480 WeakPolarHBondContact CD-O 3.32Å; R455-Y480 HydrophobicContact CG-CD2 4.48Å; R455-Y480 WeakPolarHBondContact CG-O 3.49Å; R455-Y480 PolarHBondContact NH1-O 3.13Å; E458-Y480 HydrophobicContact CG-CE1 4.15Å; E458-Y480 HydrophobicContact CG-CE2 4.4Å; L478-Y480 VanDerWaalsContact O-CD1 3.32Å; L478-Y480 WeakPolarHBondContact O-CD1 3.4Å; L478-Y480 PolarHBondContact O-N 2.98Å; Y480-I483 HydrophobicContact CD2-CD1 4.47Å; Y480-I483 HydrophobicContact CD2-CG2 4.08Å; Y480-I483 HydrophobicContact CE2-CD1 3.72Å; Y480-I483 HydrophobicContact CE2-CG1 4.13Å; Y480-I483 HydrophobicContact CE2-CG2 4.28Å
481	G	93.9	Very high	94.3	Very high	44 Å²	44	58.9 Å²	58.9	45%	0.454	31%	0.312	S	S	.	.			trans	78.7	-175	178.1	0	0	0	0	0	113.6
482	D	96.8	Very high	94.3	Very high	112 Å²	112	62.8 Å²	62.8	60%	0.599	33%	0.329	S	S	*	.			trans	-72.4	134.8	-177.4	-171.8	13.5	0	0	0	112	R455 S484	R455-D482 PolarHBondContact NH1-O 2.91Å; R455-D482 PolarHBondContact NH2-O 2.75Å; D482-S484 WeakPolarHBondContact OD1-CB 3.3Å; D482-S484 PolarHBondContact OD1-N 3.08Å; D482-S484 PolarHBondContact OD1-OG 3.47Å
483	I	98.2	Very high	94.5	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.062	33%	0.33	C	S	.	.			trans	-127.8	11.9	177.9	61.2	174	0	0	0	111.9	R455 E458 V459 Y480 E485 L486 K487	R455-I483 HydrophobicContact CB-CG2 4.4Å; R455-I483 HydrophobicContact CG-CG2 4.28Å; E458-I483 HydrophobicContact CB-CD1 3.65Å; V459-I483 HydrophobicContact CG2-CB 3.9Å; V459-I483 HydrophobicContact CG2-CD1 4Å; V459-I483 HydrophobicContact CG2-CG1 4.45Å; V459-I483 HydrophobicContact CG2-CG2 4.24Å; Y480-I483 HydrophobicContact CD2-CD1 4.47Å; Y480-I483 HydrophobicContact CD2-CG2 4.08Å; Y480-I483 HydrophobicContact CE2-CD1 3.72Å; Y480-I483 HydrophobicContact CE2-CG1 4.13Å; Y480-I483 HydrophobicContact CE2-CG2 4.28Å; I483-E485 PolarHBondContact O-N 3.13Å; I483-L486 HydrophobicContact CB-CD1 4.22Å; I483-L486 HydrophobicContact CG2-CD1 4.16Å; I483-L486 PolarHBondContact O-N 2.7Å; I483-K487 HydrophobicContact CD1-CD 4.23Å; I483-K487 VanDerWaalsContact CD1-CE 3.49Å; I483-K487 HydrophobicContact CG1-CD 4.37Å; I483-K487 PolarHBondContact O-N 3.31Å
484	S	98.1	Very high	94.6	Very high	65 Å²	65	70 Å²	70	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-43.2	-173.8	-59.2	0	0	0	0	112.5	D482 L486 K487 R488	D482-S484 WeakPolarHBondContact OD1-CB 3.3Å; D482-S484 PolarHBondContact OD1-N 3.08Å; D482-S484 PolarHBondContact OD1-OG 3.47Å; S484-L486 PolarHBondContact O-N 3.27Å; S484-K487 PolarHBondContact O-N 3.47Å; S484-R488 WeakPolarHBondContact O-CB 3.39Å; S484-R488 PolarHBondContact O-N 3.2Å
485	E	97.3	Very high	94.9	Very high	139 Å²	139	69.7 Å²	69.7	65%	0.65	36%	0.357	S	S	*	.	H	α-helix	trans	-67.2	-35.2	178.1	-64.9	-171.8	158.4	0	0	112.5	I483 R488 F489	I483-E485 PolarHBondContact O-N 3.13Å; E485-R488 PolarHBondContact O-N 3.21Å; E485-F489 WeakPolarHBondContact O-CB 3.38Å; E485-F489 PolarHBondContact O-N 2.8Å
486	L	98.1	Very high	95.2	Very high	19 Å²	19	74.3 Å²	74.3	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-68.5	-41.5	177.8	-59.6	167.9	0	0	0	111.5	D394 V459 I483 S484 F489 R490	D394-L486 HydrophobicContact CB-CD1 4.06Å; D394-L486 HydrophobicContact CB-CD2 3.83Å; D394-L486 VanDerWaalsContact CG-CD1 3.42Å; D394-L486 WeakPolarHBondContact OD1-CD1 3.23Å; D394-L486 WeakPolarHBondContact OD2-CD1 3.48Å; V459-L486 HydrophobicContact CG1-CB 3.96Å; V459-L486 HydrophobicContact CG2-CB 3.82Å; V459-L486 HydrophobicContact CG2-CD1 3.99Å; I483-L486 HydrophobicContact CB-CD1 4.22Å; I483-L486 HydrophobicContact CG2-CD1 4.16Å; I483-L486 PolarHBondContact O-N 2.7Å; S484-L486 PolarHBondContact O-N 3.27Å; L486-F489 WeakPolarHBondContact O-CB 3.41Å; L486-F489 PolarHBondContact O-N 3.35Å; L486-R490 PolarHBondContact O-N 3.05Å; L486-R490 VanDerWaalsContact O-N 3.13Å
487	K	97.9	Very high	95.6	Very high	78 Å²	78	72.5 Å²	72.5	34%	0.339	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-44.1	174.4	-73.3	-173.6	169.7	176.8	0	111.2	E458 V459 I483 S484 F489 R490 E491	E458-K487 WeakPolarHBondContact O-CE 3.26Å; V459-K487 HydrophobicContact CG2-CG 4.38Å; I483-K487 HydrophobicContact CD1-CD 4.23Å; I483-K487 VanDerWaalsContact CD1-CE 3.49Å; I483-K487 HydrophobicContact CG1-CD 4.37Å; I483-K487 PolarHBondContact O-N 3.31Å; S484-K487 PolarHBondContact O-N 3.47Å; K487-F489 PolarHBondContact O-N 3.34Å; K487-R490 WeakPolarHBondContact O-CB 3.18Å; K487-R490 PolarHBondContact O-N 3.03Å; K487-R490 VanDerWaalsContact O-N 3.17Å; K487-E491 WeakPolarHBondContact O-CG 3.11Å; K487-E491 PolarHBondContact O-N 2.85Å
488	R	97.1	Very high	96.2	Very high	130 Å²	130	68.5 Å²	68.5	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-46	174.8	-172.1	-174.9	-55.9	159.4	6.4	111.8	S484 E485 R490 E491 E492	S484-R488 WeakPolarHBondContact O-CB 3.39Å; S484-R488 PolarHBondContact O-N 3.2Å; E485-R488 PolarHBondContact O-N 3.21Å; R488-R490 VanDerWaalsContact C-N 3.29Å; R488-R490 PolarHBondContact O-N 3.46Å; R488-E491 PolarHBondContact O-N 2.9Å; R488-E492 VanDerWaalsContact CD-OE1 3.24Å; R488-E492 WeakPolarHBondContact CD-OE1 3.39Å; R488-E492 HydrophobicContact CG-CG 4.08Å; R488-E492 VanDerWaalsContact CG-OE1 3.24Å; R488-E492 WeakPolarHBondContact CG-OE1 3.28Å; R488-E492 WeakPolarHBondContact O-CB 3.41Å; R488-E492 WeakPolarHBondContact O-CG 3.29Å; R488-E492 PolarHBondContact O-N 3.14Å
489	F	97.4	Very high	96.7	Very high	28 Å²	28	72.5 Å²	72.5	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-53.2	-48.9	174.9	169.8	-89	0	0	0	111.3	E389 L390 W460 E485 L486 K487 E491 E492 H493	E389-F489 WeakPolarHBondContact O-CE2 3.16Å; L390-F489 HydrophobicContact CD2-CZ 4.37Å; W460-F489 HydrophobicContact CH2-CD1 4.25Å; W460-F489 HydrophobicContact CH2-CE1 4.15Å; E485-F489 WeakPolarHBondContact O-CB 3.38Å; E485-F489 PolarHBondContact O-N 2.8Å; L486-F489 WeakPolarHBondContact O-CB 3.41Å; L486-F489 PolarHBondContact O-N 3.35Å; K487-F489 PolarHBondContact O-N 3.34Å; F489-E491 VanDerWaalsContact C-N 3.34Å; F489-E491 PolarHBondContact O-N 2.83Å; F489-E492 PolarHBondContact O-N 3.5Å; F489-H493 AromaticContact CD2-CE1 3.35Å; F489-H493 WeakPolarHBondContact CD2-CE1 3.06Å; F489-H493 AromaticContact CD2-ND1 3.5Å; F489-H493 WeakPolarHBondContact CD2-ND1 3.35Å; F489-H493 AromaticContact CE2-CE1 3.21Å; F489-H493 WeakPolarHBondContact CE2-CE1 3.36Å; F489-H493 AromaticContact CE2-ND1 3.48Å; F489-H493 WeakPolarHBondContact CE2-ND1 3.4Å; F489-H493 AromaticContact CE2-NE2 3.62Å; F489-H493 AromaticContact CG-ND1 3.97Å; F489-H493 AromaticContact CZ-ND1 3.94Å; F489-H493 WeakPolarHBondContact O-CB 3.47Å; F489-H493 PolarHBondContact O-N 2.98Å; F489-H493 VanDerWaalsContact O-N 3.11Å; F489-H493 PolarHBondContact O-ND1 3.04Å
490	R	97.7	Very high	97.1	Very high	34 Å²	34	71.9 Å²	71.9	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-179.6	-169.4	179.9	177.9	-149.3	-8.5	112.3	V459 W460 D462 L486 K487 R488 R494 C495 K496	V459-R490 WeakPolarHBondContact O-CD 3.39Å; V459-R490 PolarHBondContact O-NH1 2.95Å; W460-R490 HydrophobicContact CE3-CG 4.39Å; W460-R490 HydrophobicContact CH2-CB 4.3Å; W460-R490 HydrophobicContact CH2-CG 4.16Å; W460-R490 HydrophobicContact CZ3-CB 4.45Å; W460-R490 HydrophobicContact CZ3-CG 3.82Å; D462-R490 VanDerWaalsContact CG-NH2 3.29Å; D462-R490 IonicContact OD1-CZ 2.83Å; D462-R490 VanDerWaalsContact OD1-CZ 3.24Å; D462-R490 IonicContact OD1-NH1 3.33Å; D462-R490 PolarHBondContact OD1-NH1 3.47Å; D462-R490 IonicContact OD1-NH2 2.74Å; D462-R490 PolarHBondContact OD1-NH2 3.11Å; D462-R490 IonicContact OD2-CZ 3.72Å; D462-R490 IonicContact OD2-NH1 3.77Å; D462-R490 IonicContact OD2-NH2 3.12Å; D462-R490 PolarHBondContact OD2-NH2 2.88Å; L486-R490 PolarHBondContact O-N 3.05Å; L486-R490 VanDerWaalsContact O-N 3.13Å; K487-R490 WeakPolarHBondContact O-CB 3.18Å; K487-R490 PolarHBondContact O-N 3.03Å; K487-R490 VanDerWaalsContact O-N 3.17Å; R488-R490 VanDerWaalsContact C-N 3.29Å; R488-R490 PolarHBondContact O-N 3.46Å; R490-R494 PolarHBondContact O-N 3.5Å; R490-C495 HydrophobicContact CG-CB 3.77Å; R490-C495 PolarHBondContact O-N 3.29Å; R490-C495 VanDerWaalsContact O-N 3.08Å; R490-K496 PolarHBondContact NH2-O 2.65Å
491	E	96	Very high	97.4	Very high	144 Å²	144	68.5 Å²	68.5	67%	0.673	33%	0.33	S	S	*	.	H	α-helix	trans	-67.7	-48.3	177.8	-70.7	169.4	-170.3	0	0	112.1	K487 R488 F489 H493 R494	K487-E491 WeakPolarHBondContact O-CG 3.11Å; K487-E491 PolarHBondContact O-N 2.85Å; R488-E491 PolarHBondContact O-N 2.9Å; F489-E491 VanDerWaalsContact C-N 3.34Å; F489-E491 PolarHBondContact O-N 2.83Å; E491-H493 VanDerWaalsContact C-N 3.32Å; E491-H493 PolarHBondContact O-N 3.45Å; E491-R494 PolarHBondContact O-N 2.85Å; E491-R494 VanDerWaalsContact O-N 3.07Å
492	E	94.9	Very high	97.6	Very high	91 Å²	91	66.8 Å²	66.8	43%	0.425	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-35.5	-177.4	-74.8	176.8	175.3	0	0	112.9	V101 R488 F489 R494	V101-E492 HydrophobicContact CG2-CB 4.2Å; V101-E492 PolarHBondContact N-O 2.75Å; R488-E492 VanDerWaalsContact CD-OE1 3.24Å; R488-E492 WeakPolarHBondContact CD-OE1 3.39Å; R488-E492 HydrophobicContact CG-CG 4.08Å; R488-E492 VanDerWaalsContact CG-OE1 3.24Å; R488-E492 WeakPolarHBondContact CG-OE1 3.28Å; R488-E492 WeakPolarHBondContact O-CB 3.41Å; R488-E492 WeakPolarHBondContact O-CG 3.29Å; R488-E492 PolarHBondContact O-N 3.14Å; F489-E492 PolarHBondContact O-N 3.5Å; E492-R494 VanDerWaalsContact C-N 3.31Å
493	H	95.4	Very high	97.6	Very high	30 Å²	30	66.3 Å²	66.3	14%	0.139	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.7	177.2	-66.5	77.2	0	0	0	113.1	V101 F103 F489 E491 C495	V101-H493 VanDerWaalsContact CG1-NE2 3.26Å; V101-H493 WeakPolarHBondContact CG1-NE2 3.35Å; F103-H493 AromaticContact CE1-CD2 3.8Å; F489-H493 AromaticContact CD2-CE1 3.35Å; F489-H493 WeakPolarHBondContact CD2-CE1 3.06Å; F489-H493 AromaticContact CD2-ND1 3.5Å; F489-H493 WeakPolarHBondContact CD2-ND1 3.35Å; F489-H493 AromaticContact CE2-CE1 3.21Å; F489-H493 WeakPolarHBondContact CE2-CE1 3.36Å; F489-H493 AromaticContact CE2-ND1 3.48Å; F489-H493 WeakPolarHBondContact CE2-ND1 3.4Å; F489-H493 AromaticContact CE2-NE2 3.62Å; F489-H493 AromaticContact CG-ND1 3.97Å; F489-H493 AromaticContact CZ-ND1 3.94Å; F489-H493 WeakPolarHBondContact O-CB 3.47Å; F489-H493 PolarHBondContact O-N 2.98Å; F489-H493 VanDerWaalsContact O-N 3.11Å; F489-H493 PolarHBondContact O-ND1 3.04Å; E491-H493 VanDerWaalsContact C-N 3.32Å; E491-H493 PolarHBondContact O-N 3.45Å; H493-C495 PolarHBondContact O-N 3.12Å
494	R	95.8	Very high	97.6	Very high	153 Å²	153	70.2 Å²	70.2	58%	0.577	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	43.5	-178.4	-63.4	176.3	154.7	-164.1	-11.8	112.4	Y100 R490 E491 E492	Y100-R494 HydrophobicContact CD1-CG 4.33Å; Y100-R494 VanDerWaalsContact CE1-CZ 3.41Å; Y100-R494 VanDerWaalsContact CE1-NE 3.28Å; Y100-R494 PolarHBondContact OH-NH2 2.82Å; R490-R494 PolarHBondContact O-N 3.5Å; E491-R494 PolarHBondContact O-N 2.85Å; E491-R494 VanDerWaalsContact O-N 3.07Å; E492-R494 VanDerWaalsContact C-N 3.31Å
495	C	98	Very high	97.6	Very high	20 Å²	20	67.3 Å²	67.3	14%	0.135	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62	142.8	179.2	-51.1	0	0	0	0	109.7	Q413 C414 W460 R490 H493	Q413-C495 HydrophobicContact CB-CB 4.1Å; Q413-C495 CarbonylContact O-C 3.56Å; Q413-C495 VanDerWaalsContact O-CA 3.27Å; Q413-C495 WeakPolarHBondContact O-CA 3.43Å; C414-C495 HydrophobicContact CB-CB 4.05Å; C414-C495 WeakPolarHBondContact CB-SG 3.47Å; C414-C495 WeakPolarHBondContact SG-CB 3.44Å; C414-C495 CovalentContact SG-SG 2.04Å; C414-C495 PolarHBondContact SG-SG 2.91Å; W460-C495 HydrophobicContact CZ3-CB 4.35Å; R490-C495 HydrophobicContact CG-CB 3.77Å; R490-C495 PolarHBondContact O-N 3.29Å; R490-C495 VanDerWaalsContact O-N 3.08Å; H493-C495 PolarHBondContact O-N 3.12Å
496	K	98.5	Very high	97.7	Very high	99 Å²	99	60.7 Å²	60.7	43%	0.43	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-64.7	159.3	-178.7	-58.8	-179.4	-168.8	-61.4	0	110.8	Q413 R490 W500	Q413-K496 PolarHBondContact O-N 3.3Å; Q413-K496 PolarHBondContact OE1-O 2.53Å; R490-K496 PolarHBondContact NH2-O 2.65Å; K496-W500 HydrophobicContact CB-CB 4.38Å; K496-W500 HydrophobicContact CB-CD2 3.78Å; K496-W500 HydrophobicContact CB-CE3 3.49Å; K496-W500 VanDerWaalsContact CB-CE3 3.49Å; K496-W500 HydrophobicContact CB-CG 4.14Å; K496-W500 HydrophobicContact CB-CZ3 4.14Å; K496-W500 HydrophobicContact CD-CD2 3.33Å; K496-W500 HydrophobicContact CD-CE3 3.52Å; K496-W500 HydrophobicContact CD-CG 4.01Å; K496-W500 HydrophobicContact CD-CH2 3.69Å; K496-W500 HydrophobicContact CD-CZ2 3.49Å; K496-W500 VanDerWaalsContact CD-CZ2 3.49Å; K496-W500 HydrophobicContact CD-CZ3 3.7Å; K496-W500 HydrophobicContact CG-CD2 4.17Å; K496-W500 HydrophobicContact CG-CE3 4.14Å; K496-W500 HydrophobicContact CG-CZ3 4.5Å
497	S	98.7	Very high	97.7	Very high	54 Å²	54	62.1 Å²	62.1	38%	0.378	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-69.5	158.1	177.5	63.8	0	0	0	0	112	D462 K499 W500 F501	D462-S497 WeakPolarHBondContact OD2-CA 3.32Å; S497-K499 PolarHBondContact O-N 2.7Å; S497-W500 WeakPolarHBondContact O-CB 3.46Å; S497-W500 PolarHBondContact O-N 3.26Å; S497-W500 PolarHBondContact OG-N 2.81Å; S497-F501 PolarHBondContact O-N 3.01Å
498	F	98.7	Very high	97.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-31.4	173.7	-162.7	-109.5	0	0	0	112	W344 Y409 W460 W461 D462 Y464 W500 F501 M502	W344-F498 AromaticContact CZ2-CZ 3.91Å; W344-F498 HydrophobicContact CZ2-CZ 3.91Å; Y409-F498 HydrophobicContact CD1-CE2 4.09Å; Y409-F498 AromaticContact CE1-CE2 3.97Å; Y409-F498 HydrophobicContact CE1-CE2 3.97Å; W460-F498 VanDerWaalsContact O-CB 3.32Å; W460-F498 WeakPolarHBondContact O-CB 3.26Å; W460-F498 WeakPolarHBondContact O-CD2 3.45Å; W460-F498 WeakPolarHBondContact O-CG 3.12Å; W461-F498 HydrophobicContact CB-CD1 4.35Å; W461-F498 HydrophobicContact CB-CE1 4.46Å; W461-F498 HydrophobicContact CB-CG 4.46Å; W461-F498 AromaticContact CD1-CD2 3.89Å; W461-F498 AromaticContact CD1-CE2 3.42Å; W461-F498 VanDerWaalsContact CD1-CE2 3.42Å; W461-F498 AromaticContact CD1-CZ 3.56Å; W461-F498 HydrophobicContact CD2-CE1 4.11Å; W461-F498 AromaticContact CD2-CZ 3.97Å; W461-F498 HydrophobicContact CD2-CZ 3.97Å; W461-F498 AromaticContact CE2-CZ 3.67Å; W461-F498 HydrophobicContact CG-CD1 4.36Å; W461-F498 HydrophobicContact CG-CD2 4.41Å; W461-F498 HydrophobicContact CG-CE1 4.03Å; W461-F498 HydrophobicContact CG-CE2 4.09Å; W461-F498 AromaticContact CG-CZ 3.88Å; W461-F498 HydrophobicContact CG-CZ 3.88Å; W461-F498 HydrophobicContact CZ2-CZ 4.3Å; W461-F498 AromaticContact NE1-CE2 3.52Å; W461-F498 AromaticContact NE1-CZ 3.42Å; W461-F498 WeakPolarHBondContact O-CB 3.17Å; D462-F498 HydrophobicContact CB-CB 4.32Å; D462-F498 PolarHBondContact OD2-N 3.06Å; Y464-F498 HydrophobicContact CD1-CD1 4.25Å; Y464-F498 HydrophobicContact CD1-CE1 4.19Å; Y464-F498 AromaticContact CD2-CD1 3.62Å; Y464-F498 HydrophobicContact CD2-CD1 3.62Å; Y464-F498 HydrophobicContact CD2-CE1 4.36Å; Y464-F498 HydrophobicContact CE2-CD1 4.31Å; Y464-F498 AromaticContact CG-CD1 3.58Å; Y464-F498 HydrophobicContact CG-CD1 3.58Å; Y464-F498 AromaticContact CG-CE1 3.87Å; Y464-F498 HydrophobicContact CG-CE1 3.87Å; F498-W500 PolarHBondContact O-N 3.22Å; F498-F501 AromaticContact CD2-CD1 3.74Å; F498-F501 HydrophobicContact CD2-CD1 3.74Å; F498-F501 HydrophobicContact CD2-CE1 4.37Å; F498-F501 AromaticContact CE2-CD1 3.46Å; F498-F501 HydrophobicContact CE2-CD1 3.46Å; F498-F501 VanDerWaalsContact CE2-CD1 3.46Å; F498-F501 AromaticContact CE2-CE1 3.66Å; F498-F501 HydrophobicContact CE2-CE1 3.66Å; F498-F501 HydrophobicContact CZ-CD1 4.04Å; F498-F501 HydrophobicContact CZ-CE1 4.13Å; F498-F501 WeakPolarHBondContact O-CB 3.28Å; F498-F501 PolarHBondContact O-N 3.18Å; F498-F501 VanDerWaalsContact O-N 3.15Å; F498-M502 HydrophobicContact CD1-CG 3.73Å; F498-M502 HydrophobicContact CD1-SD 4.48Å; F498-M502 HydrophobicContact CE1-CG 3.53Å; F498-M502 HydrophobicContact CE1-SD 3.69Å; F498-M502 HydrophobicContact CZ-CG 4.17Å; F498-M502 HydrophobicContact CZ-SD 3.86Å; F498-M502 WeakPolarHBondContact O-CG 3.16Å; F498-M502 PolarHBondContact O-N 2.82Å
499	K	98.6	Very high	97.6	Very high	115 Å²	115	52.4 Å²	52.4	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-57.4	-48.7	173	-177.5	179.3	175.6	-178.8	0	111.7	Y464 S497 F501 M502 E503	Y464-K499 HydrophobicContact CE2-CB 4.16Å; S497-K499 PolarHBondContact O-N 2.7Å; K499-F501 VanDerWaalsContact C-N 3.27Å; K499-F501 PolarHBondContact O-N 2.99Å; K499-M502 PolarHBondContact O-N 2.81Å; K499-E503 WeakPolarHBondContact CE-OE1 3.33Å; K499-E503 HydrophobicContact CG-CG 4.49Å; K499-E503 IonicContact NZ-OE1 2.66Å; K499-E503 WeakPolarHBondContact O-CG 3.3Å; K499-E503 PolarHBondContact O-N 3.49Å
500	W	98.7	Very high	97.5	Very high	72 Å²	72	53 Å²	53	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-57	-44.5	175	165.4	85.6	0	0	0	111.1	W412 K496 S497 F498 M502 E503 E504 I505	W412-W500 WeakPolarHBondContact O-CZ3 3.46Å; K496-W500 HydrophobicContact CB-CB 4.38Å; K496-W500 HydrophobicContact CB-CD2 3.78Å; K496-W500 HydrophobicContact CB-CE3 3.49Å; K496-W500 VanDerWaalsContact CB-CE3 3.49Å; K496-W500 HydrophobicContact CB-CG 4.14Å; K496-W500 HydrophobicContact CB-CZ3 4.14Å; K496-W500 HydrophobicContact CD-CD2 3.33Å; K496-W500 HydrophobicContact CD-CE3 3.52Å; K496-W500 HydrophobicContact CD-CG 4.01Å; K496-W500 HydrophobicContact CD-CH2 3.69Å; K496-W500 HydrophobicContact CD-CZ2 3.49Å; K496-W500 VanDerWaalsContact CD-CZ2 3.49Å; K496-W500 HydrophobicContact CD-CZ3 3.7Å; K496-W500 HydrophobicContact CG-CD2 4.17Å; K496-W500 HydrophobicContact CG-CE3 4.14Å; K496-W500 HydrophobicContact CG-CZ3 4.5Å; S497-W500 WeakPolarHBondContact O-CB 3.46Å; S497-W500 PolarHBondContact O-N 3.26Å; S497-W500 PolarHBondContact OG-N 2.81Å; F498-W500 PolarHBondContact O-N 3.22Å; W500-M502 PolarHBondContact O-N 3.44Å; W500-E503 PolarHBondContact O-N 2.86Å; W500-E504 HydrophobicContact CG-CG 4.36Å; W500-E504 HydrophobicContact CZ2-CB 4.38Å; W500-E504 WeakPolarHBondContact O-CB 3.33Å; W500-E504 PolarHBondContact O-N 3.17Å; W500-I505 HydrophobicContact CH2-CD1 4.34Å; W500-I505 HydrophobicContact CH2-CG1 3.94Å; W500-I505 HydrophobicContact CZ2-CG1 4.42Å; W500-I505 HydrophobicContact CZ3-CG1 4.31Å
501	F	98.8	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-42.6	179.9	168.2	-107.5	0	0	0	112	W344 P373 Y409 W412 Q413 S497 F498 K499 I505 A506	W344-F501 HydrophobicContact CH2-CD1 4.47Å; W344-F501 AromaticContact CH2-CE1 3.28Å; W344-F501 HydrophobicContact CH2-CE1 3.28Å; W344-F501 AromaticContact CH2-CZ 3.55Å; W344-F501 HydrophobicContact CH2-CZ 3.55Å; W344-F501 AromaticContact CZ2-CE1 3.83Å; W344-F501 HydrophobicContact CZ2-CE1 3.83Å; W344-F501 HydrophobicContact CZ3-CE1 4.27Å; W344-F501 HydrophobicContact CZ3-CZ 4.16Å; P373-F501 HydrophobicContact CB-CZ 4.21Å; Y409-F501 HydrophobicContact CD1-CD1 4.47Å; Y409-F501 AromaticContact CD1-CE1 3.69Å; Y409-F501 HydrophobicContact CD1-CE1 3.69Å; Y409-F501 AromaticContact CD1-CZ 3.83Å; Y409-F501 HydrophobicContact CD1-CZ 3.83Å; Y409-F501 AromaticContact CE1-CE1 3.63Å; Y409-F501 HydrophobicContact CE1-CE1 3.63Å; Y409-F501 AromaticContact CE1-CZ 3.91Å; Y409-F501 HydrophobicContact CE1-CZ 3.91Å; W412-F501 HydrophobicContact CB-CD2 3.7Å; W412-F501 HydrophobicContact CB-CE2 3.77Å; W412-F501 AromaticContact CD1-CE2 3.52Å; W412-F501 HydrophobicContact CG-CD2 4.04Å; W412-F501 AromaticContact CG-CE2 3.71Å; W412-F501 HydrophobicContact CG-CE2 3.71Å; Q413-F501 HydrophobicContact CG-CB 4.18Å; S497-F501 PolarHBondContact O-N 3.01Å; F498-F501 AromaticContact CD2-CD1 3.74Å; F498-F501 HydrophobicContact CD2-CD1 3.74Å; F498-F501 HydrophobicContact CD2-CE1 4.37Å; F498-F501 AromaticContact CE2-CD1 3.46Å; F498-F501 HydrophobicContact CE2-CD1 3.46Å; F498-F501 VanDerWaalsContact CE2-CD1 3.46Å; F498-F501 AromaticContact CE2-CE1 3.66Å; F498-F501 HydrophobicContact CE2-CE1 3.66Å; F498-F501 HydrophobicContact CZ-CD1 4.04Å; F498-F501 HydrophobicContact CZ-CE1 4.13Å; F498-F501 WeakPolarHBondContact O-CB 3.28Å; F498-F501 PolarHBondContact O-N 3.18Å; F498-F501 VanDerWaalsContact O-N 3.15Å; K499-F501 VanDerWaalsContact C-N 3.27Å; K499-F501 PolarHBondContact O-N 2.99Å; F501-I505 HydrophobicContact CD2-CB 3.8Å; F501-I505 HydrophobicContact CD2-CG1 4.1Å; F501-I505 HydrophobicContact CD2-CG2 4.17Å; F501-I505 HydrophobicContact CE2-CB 3.97Å; F501-I505 HydrophobicContact CE2-CG2 3.82Å; F501-I505 WeakPolarHBondContact O-CA 3.23Å; F501-I505 WeakPolarHBondContact O-CB 3.47Å; F501-I505 PolarHBondContact O-N 3.46Å; F501-A506 HydrophobicContact CE1-CB 4.14Å; F501-A506 HydrophobicContact CZ-CB 4.17Å; F501-A506 PolarHBondContact O-N 3.4Å
502	M	98.6	Very high	97.2	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-35.2	176.5	-70.8	-57.3	-53.8	0	0	113.3	W344 W346 Y464 F498 K499 W500 A506 Y507 I509 P510	W344-M502 HydrophobicContact CH2-SD 4.43Å; W344-M502 HydrophobicContact CZ2-SD 3.78Å; W346-M502 HydrophobicContact CH2-CE 3.8Å; W346-M502 HydrophobicContact CH2-SD 4.38Å; W346-M502 HydrophobicContact CZ2-CE 4.23Å; Y464-M502 HydrophobicContact CD1-CG 4.32Å; Y464-M502 HydrophobicContact CE1-CB 4.37Å; Y464-M502 HydrophobicContact CE1-CG 3.92Å; Y464-M502 HydrophobicContact CE2-CG 4.49Å; F498-M502 HydrophobicContact CD1-CG 3.73Å; F498-M502 HydrophobicContact CD1-SD 4.48Å; F498-M502 HydrophobicContact CE1-CG 3.53Å; F498-M502 HydrophobicContact CE1-SD 3.69Å; F498-M502 HydrophobicContact CZ-CG 4.17Å; F498-M502 HydrophobicContact CZ-SD 3.86Å; F498-M502 WeakPolarHBondContact O-CG 3.16Å; F498-M502 PolarHBondContact O-N 2.82Å; K499-M502 PolarHBondContact O-N 2.81Å; W500-M502 PolarHBondContact O-N 3.44Å; M502-A506 HydrophobicContact CE-CB 4.29Å; M502-A506 CarbonylContact O-C 3.58Å; M502-A506 HydrophobicContact SD-CB 3.96Å; M502-Y507 WeakPolarHBondContact O-CA 3.39Å; M502-Y507 PolarHBondContact O-N 2.75Å; M502-I509 HydrophobicContact CE-CB 4.18Å; M502-I509 HydrophobicContact CE-CG2 4.45Å; M502-P510 HydrophobicContact CE-CG 3.81Å
503	E	98.1	Very high	97.1	Very high	102 Å²	102	54 Å²	54	48%	0.477	25%	0.251	S	S	.	.	H	α-helix	trans	-83	-35.8	-178.4	-69.9	174.2	166.7	0	0	112.6	K499 W500	K499-E503 WeakPolarHBondContact CE-OE1 3.33Å; K499-E503 HydrophobicContact CG-CG 4.49Å; K499-E503 IonicContact NZ-OE1 2.66Å; K499-E503 WeakPolarHBondContact O-CG 3.3Å; K499-E503 PolarHBondContact O-N 3.49Å; W500-E503 PolarHBondContact O-N 2.86Å
504	E	97.9	Very high	97	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-95.2	-42.4	-174.1	-66.8	-56.5	154	0	0	113.8	W500 Y507	W500-E504 HydrophobicContact CG-CG 4.36Å; W500-E504 HydrophobicContact CZ2-CB 4.38Å; W500-E504 WeakPolarHBondContact O-CB 3.33Å; W500-E504 PolarHBondContact O-N 3.17Å; E504-Y507 WeakPolarHBondContact O-CD1 3.22Å
505	I	98.4	Very high	97	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-46.6	-171.9	-53.6	-55.7	0	0	0	111.2	R341 W412 W500 F501	R341-I505 PolarHBondContact NH2-O 2.91Å; W412-I505 HydrophobicContact CD2-CD1 4.37Å; W412-I505 HydrophobicContact CD2-CG1 4.09Å; W412-I505 HydrophobicContact CD2-CG2 3.82Å; W412-I505 HydrophobicContact CE3-CD1 3.75Å; W412-I505 HydrophobicContact CE3-CG1 3.86Å; W412-I505 HydrophobicContact CE3-CG2 4.29Å; W412-I505 HydrophobicContact CG-CG2 4.23Å; W412-I505 HydrophobicContact CH2-CD1 4.17Å; W412-I505 HydrophobicContact CH2-CG2 4.4Å; W412-I505 HydrophobicContact CZ2-CG2 3.9Å; W412-I505 HydrophobicContact CZ3-CD1 3.64Å; W412-I505 HydrophobicContact CZ3-CG1 4.26Å; W500-I505 HydrophobicContact CH2-CD1 4.34Å; W500-I505 HydrophobicContact CH2-CG1 3.94Å; W500-I505 HydrophobicContact CZ2-CG1 4.42Å; W500-I505 HydrophobicContact CZ3-CG1 4.31Å; F501-I505 HydrophobicContact CD2-CB 3.8Å; F501-I505 HydrophobicContact CD2-CG1 4.1Å; F501-I505 HydrophobicContact CD2-CG2 4.17Å; F501-I505 HydrophobicContact CE2-CB 3.97Å; F501-I505 HydrophobicContact CE2-CG2 3.82Å; F501-I505 WeakPolarHBondContact O-CA 3.23Å; F501-I505 WeakPolarHBondContact O-CB 3.47Å; F501-I505 PolarHBondContact O-N 3.46Å
506	A	98.3	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-108.4	31	-170.1	0	0	0	0	0	113.9	W344 P373 F501 M502 D508 I509	W344-A506 HydrophobicContact CH2-CB 3.98Å; P373-A506 HydrophobicContact CB-CB 3.85Å; P373-A506 HydrophobicContact CG-CB 4.05Å; F501-A506 HydrophobicContact CE1-CB 4.14Å; F501-A506 HydrophobicContact CZ-CB 4.17Å; F501-A506 PolarHBondContact O-N 3.4Å; M502-A506 HydrophobicContact CE-CB 4.29Å; M502-A506 CarbonylContact O-C 3.58Å; M502-A506 HydrophobicContact SD-CB 3.96Å; A506-D508 PolarHBondContact O-N 3.48Å; A506-D508 VanDerWaalsContact O-N 3.17Å; A506-I509 HydrophobicContact CB-CD1 3.78Å; A506-I509 HydrophobicContact CB-CG1 4.18Å; A506-I509 PolarHBondContact O-N 3.41Å; A506-I509 VanDerWaalsContact O-N 3.15Å
507	Y	97.6	Very high	96.5	Very high	48 Å²	48	47.1 Å²	47.1	19%	0.188	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.4	-172.5	53.7	-97.4	0	0	0	115.1	S356 K358 M502 E504	S356-Y507 PolarHBondContact OG-OH 2.84Å; K358-Y507 HydrophobicContact CB-CE2 4.25Å; K358-Y507 WeakPolarHBondContact CB-OH 3.23Å; K358-Y507 HydrophobicContact CD-CD1 4.28Å; K358-Y507 HydrophobicContact CD-CE1 3.72Å; K358-Y507 HydrophobicContact CD-CE2 4.05Å; K358-Y507 HydrophobicContact CG-CE1 4.4Å; M502-Y507 WeakPolarHBondContact O-CA 3.39Å; M502-Y507 PolarHBondContact O-N 2.75Å; E504-Y507 WeakPolarHBondContact O-CD1 3.22Å
508	D	96.6	Very high	96.4	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.3	-178.3	54.3	-14.5	0	0	0	113.1	R341 A506 L511 H512	R341-D508 IonicContact CZ-OD1 2.91Å; R341-D508 IonicContact CZ-OD2 3.12Å; R341-D508 IonicContact NH1-OD1 2.66Å; R341-D508 PolarHBondContact NH1-OD1 3.1Å; R341-D508 IonicContact NH1-OD2 2.7Å; R341-D508 PolarHBondContact NH1-OD2 3.22Å; A506-D508 PolarHBondContact O-N 3.48Å; A506-D508 VanDerWaalsContact O-N 3.17Å; D508-L511 HydrophobicContact CB-CD1 4.37Å; D508-L511 WeakPolarHBondContact O-CB 3.35Å; D508-L511 PolarHBondContact O-N 3.02Å; D508-L511 VanDerWaalsContact O-N 3.11Å; D508-H512 PolarHBondContact O-CD2 3.04Å; D508-H512 PolarHBondContact O-N 3.17Å
509	I	97.1	Very high	96.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-49.5	178	-64.8	-174.1	0	0	0	111.6	A343 W344 P373 M502 A506 L511 H512 Y513	A343-I509 HydrophobicContact CB-CD1 4.14Å; A343-I509 HydrophobicContact CB-CG1 4.1Å; W344-I509 HydrophobicContact CD2-CD1 3.84Å; W344-I509 HydrophobicContact CE3-CD1 3.65Å; W344-I509 HydrophobicContact CH2-CD1 3.2Å; W344-I509 HydrophobicContact CZ2-CD1 3.5Å; W344-I509 HydrophobicContact CZ3-CD1 3.33Å; W344-I509 WeakPolarHBondContact O-CG2 3.34Å; P373-I509 HydrophobicContact CB-CD1 4.2Å; P373-I509 HydrophobicContact CG-CD1 4.49Å; M502-I509 HydrophobicContact CE-CB 4.18Å; M502-I509 HydrophobicContact CE-CG2 4.45Å; A506-I509 HydrophobicContact CB-CD1 3.78Å; A506-I509 HydrophobicContact CB-CG1 4.18Å; A506-I509 PolarHBondContact O-N 3.41Å; A506-I509 VanDerWaalsContact O-N 3.15Å; I509-L511 PolarHBondContact O-N 3.08Å; I509-L511 VanDerWaalsContact O-N 3.12Å; I509-H512 PolarHBondContact O-N 2.81Å; I509-H512 VanDerWaalsContact O-N 3.15Å; I509-Y513 PolarHBondContact O-N 2.97Å
510	P	95.6	Very high	96.1	Very high	42 Å²	42	51.2 Å²	51.2	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-16.7	178.6	-22.1	34.8	0	0	0	114.7	W346 M502 Y513 P514	W346-P510 HydrophobicContact CZ2-CG 4.36Å; M502-P510 HydrophobicContact CE-CG 3.81Å; P510-Y513 WeakPolarHBondContact CA-O 3.4Å; P510-P514 WeakPolarHBondContact O-CA 3.33Å
511	L	94	Very high	96	Very high	137 Å²	137	49 Å²	49	72%	0.717	25%	0.248	S	C	*	.	H	α-helix	trans	-76.7	-36.6	176.6	-55.1	178.7	0	0	0	111.4	D508 I509	D508-L511 HydrophobicContact CB-CD1 4.37Å; D508-L511 WeakPolarHBondContact O-CB 3.35Å; D508-L511 PolarHBondContact O-N 3.02Å; D508-L511 VanDerWaalsContact O-N 3.11Å; I509-L511 PolarHBondContact O-N 3.08Å; I509-L511 VanDerWaalsContact O-N 3.12Å
512	H	92.9	Very high	95.8	Very high	92 Å²	92	50.3 Å²	50.3	43%	0.426	25%	0.253	S	S	.	.	H	α-helix	trans	-91.5	-35.4	178.5	-68.8	-76.3	0	0	0	112.8	V353 D508 I509	V353-H512 HydrophobicContact CG1-CB 3.79Å; D508-H512 PolarHBondContact O-CD2 3.04Å; D508-H512 PolarHBondContact O-N 3.17Å; I509-H512 PolarHBondContact O-N 2.81Å; I509-H512 VanDerWaalsContact O-N 3.15Å
513	Y	94	Very high	95.7	Very high	61 Å²	61	50 Å²	50	24%	0.239	25%	0.251	C	S	.	.	S	Bend	trans	-126.6	85.8	-179.9	-57.3	-68	0	0	0	108.4	W344 D345 W346 K351 V353 I509 P510	W344-Y513 WeakPolarHBondContact O-CD2 3.33Å; D345-Y513 HydrophobicContact CB-CD1 4.09Å; D345-Y513 HydrophobicContact CB-CG 4.25Å; W346-Y513 PolarHBondContact NE1-O 2.94Å; K351-Y513 HydrophobicContact CB-CD2 4.42Å; K351-Y513 HydrophobicContact CB-CE2 3.49Å; K351-Y513 VanDerWaalsContact CB-CE2 3.49Å; K351-Y513 WeakPolarHBondContact CB-OH 3.38Å; K351-Y513 HydrophobicContact CD-CE1 4.01Å; K351-Y513 HydrophobicContact CD-CE2 4.49Å; K351-Y513 HydrophobicContact CG-CD2 4.4Å; K351-Y513 HydrophobicContact CG-CE1 3.96Å; K351-Y513 HydrophobicContact CG-CE2 3.71Å; K351-Y513 VanDerWaalsContact CG-CZ 3.48Å; V353-Y513 HydrophobicContact CG1-CE2 3.93Å; I509-Y513 PolarHBondContact O-N 2.97Å; P510-Y513 WeakPolarHBondContact CA-O 3.4Å
514	P	93.3	Very high	95.6	Very high	59 Å²	59	45.2 Å²	45.2	38%	0.383	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-58.6	148.2	-176.9	-25.9	35.4	0	0	0	113	W346 P510 R589	W346-P514 PolarHBondContact NE1-O 3.24Å; P510-P514 WeakPolarHBondContact O-CA 3.33Å; P514-R589 HydrophobicContact CB-CB 4.46Å
515	L	93.9	Very high	95.6	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.246	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-56.8	125.3	175.3	-64.5	167.3	0	0	0	110.3	W346 Y464 Y467	W346-L515 HydrophobicContact CD2-CD2 4.12Å; W346-L515 HydrophobicContact CE3-CD2 4.33Å; W346-L515 HydrophobicContact CH2-CD2 3.43Å; W346-L515 VanDerWaalsContact CH2-CD2 3.43Å; W346-L515 HydrophobicContact CZ2-CD2 3.15Å; W346-L515 HydrophobicContact CZ2-CG 4.13Å; W346-L515 HydrophobicContact CZ3-CD2 4.02Å; Y464-L515 HydrophobicContact CD1-CD2 4.39Å; Y464-L515 HydrophobicContact CE1-CD2 4.35Å; Y467-L515 HydrophobicContact CD1-CB 4.14Å; Y467-L515 HydrophobicContact CD1-CD2 4.11Å; Y467-L515 HydrophobicContact CD2-CD2 3.67Å; Y467-L515 HydrophobicContact CE1-CB 3.9Å; Y467-L515 HydrophobicContact CE1-CD1 4.46Å; Y467-L515 HydrophobicContact CE1-CD2 4.05Å; Y467-L515 HydrophobicContact CE1-CG 4.37Å; Y467-L515 HydrophobicContact CE2-CD1 4.47Å; Y467-L515 HydrophobicContact CE2-CD2 3.62Å; Y467-L515 HydrophobicContact CG-CD2 3.93Å
516	P	93.4	Very high	95.6	Very high	25 Å²	25	41.5 Å²	41.5	16%	0.162	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-67.9	141.5	-179	27.2	-35.2	0	0	0	110.4	W346 Y467 A470	W346-P516 HydrophobicContact CB-CG 3.87Å; W346-P516 VanDerWaalsContact CG-CD 3.41Å; W346-P516 HydrophobicContact CG-CG 4.12Å; Y467-P516 HydrophobicContact CD1-CG 4.04Å; Y467-P516 HydrophobicContact CG-CG 4.38Å; Y467-P516 WeakPolarHBondContact O-CG 3.48Å; A470-P516 HydrophobicContact CB-CG 4.4Å
517	P	93.9	Very high	95.5	Very high	25 Å²	25	41.5 Å²	41.5	16%	0.162	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-63.2	158.8	168.4	-16.2	29.7	0	0	0	111.1	N562 A564	P517-N562 HydrophobicContact CB-CB 4.2Å; P517-A564 HydrophobicContact CB-CB 4.22Å; P517-A564 HydrophobicContact CG-CB 3.73Å
518	K	95.3	Very high	95.4	Very high	134 Å²	134	41.6 Å²	41.6	58%	0.583	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-65	152	173.8	-66.3	-177.2	176.9	-173.7	0	110.8	N562 E563	K518-N562 CarbonylContact O-C 3.35Å; K518-N562 WeakPolarHBondContact O-CA 3.46Å; K518-N562 WeakPolarHBondContact O-CB 3.47Å; K518-E563 HydrophobicContact CB-CG 4.3Å; K518-E563 PolarHBondContact O-N 3.14Å
519	N	95.7	Very high	95.2	Very high	38 Å²	38	49.5 Å²	49.5	20%	0.203	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.2	173.7	-68.7	-30.1	0	0	0	110.5	A470 I561	A470-N519 WeakPolarHBondContact CA-ND2 3.25Å; A470-N519 PolarHBondContact O-ND2 2.75Å; A470-N519 PolarHBondContact O-OD1 3.21Å; N519-I561 WeakPolarHBondContact CA-O 3.47Å
520	V	95.9	Very high	95.1	Very high	83 Å²	83	51 Å²	51	50%	0.503	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-45.9	166	174	0	0	0	0	109.4	I561 E563	V520-I561 HydrophobicContact CB-CG2 4.17Å; V520-I561 PolarHBondContact N-O 3.28Å; V520-E563 HydrophobicContact CG2-CG 4.08Å
521	E	95.9	Very high	95.1	Very high	27 Å²	27	53 Å²	53	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	157.6	176.5	-168.4	60.4	-82.8	0	0	109.1	I561 Y597 K599 M638 N640	E521-I561 HydrophobicContact CB-CG2 4.03Å; E521-I561 PolarHBondContact N-O 3.27Å; E521-I561 PolarHBondContact O-N 3.03Å; E521-Y597 HydrophobicContact CB-CD1 4.24Å; E521-Y597 HydrophobicContact CB-CE1 4.38Å; E521-Y597 HydrophobicContact CG-CE1 4.2Å; E521-K599 IonicContact OE2-NZ 2.79Å; E521-K599 PolarHBondContact OE2-NZ 3.11Å; E521-M638 VanDerWaalsContact C-CE 3.4Å; E521-M638 HydrophobicContact CB-CE 4.21Å; E521-M638 HydrophobicContact CB-SD 4.12Å; E521-M638 HydrophobicContact CG-CB 3.9Å; E521-M638 HydrophobicContact CG-CE 4.33Å; E521-M638 HydrophobicContact CG-CG 3.92Å; E521-M638 HydrophobicContact CG-SD 4.05Å; E521-M638 WeakPolarHBondContact O-CE 3.22Å; E521-N640 PolarHBondContact OE1-ND2 3Å
522	W	96	Very high	95.2	Very high	27 Å²	27	50 Å²	50	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.4	175.4	69.1	-85.8	0	0	0	111.5	P473 E474 L476 L558 F559 R560 N640 I641	P473-W522 HydrophobicContact CB-CB 4.01Å; P473-W522 HydrophobicContact CB-CD2 3.47Å; P473-W522 VanDerWaalsContact CB-CD2 3.47Å; P473-W522 HydrophobicContact CB-CE3 4.07Å; P473-W522 HydrophobicContact CB-CG 3.42Å; P473-W522 VanDerWaalsContact CB-CG 3.42Å; P473-W522 HydrophobicContact CB-CZ2 4.39Å; P473-W522 HydrophobicContact CG-CB 3.57Å; P473-W522 HydrophobicContact CG-CD2 3.66Å; P473-W522 HydrophobicContact CG-CE3 3.91Å; P473-W522 HydrophobicContact CG-CG 3.51Å; P473-W522 WeakPolarHBondContact O-CH2 3.24Å; P473-W522 VanDerWaalsContact O-CZ2 3.31Å; P473-W522 WeakPolarHBondContact O-CZ2 3.36Å; E474-W522 HydrophobicContact CB-CZ3 4.14Å; L476-W522 HydrophobicContact CD1-CZ2 4.49Å; W522-L558 HydrophobicContact CE3-CD1 3.89Å; W522-L558 HydrophobicContact CZ3-CD1 4.07Å; W522-F559 CarbonylContact C-O 3.52Å; W522-F559 WeakPolarHBondContact CA-O 3.17Å; W522-R560 HydrophobicContact CB-CB 3.97Å; W522-N640 HydrophobicContact CD2-CB 4.49Å; W522-N640 HydrophobicContact CH2-CB 3.95Å; W522-N640 HydrophobicContact CZ2-CB 3.81Å; W522-N640 HydrophobicContact CZ3-CB 4.35Å; W522-N640 PolarHBondContact NE1-ND2 2.78Å; W522-N640 PolarHBondContact O-ND2 3.32Å; W522-I641 VanDerWaalsContact CH2-O 3.28Å; W522-I641 WeakPolarHBondContact CH2-O 3.48Å; W522-I641 WeakPolarHBondContact CZ3-O 3.34Å
523	G	95.6	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-164.9	178.7	0	0	0	0	0	114.9	F559 N639	G523-F559 PolarHBondContact N-O 3.09Å; G523-F559 PolarHBondContact O-N 2.88Å; G523-N639 CarbonylContact C-O 3.59Å; G523-N639 WeakPolarHBondContact CA-O 3.48Å
524	E	96.3	Very high	95.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.2	163.3	53.5	175.5	-150.4	0	0	110	R526 R552 Q557 M638 N639 I641	E524-R526 IonicContact OE1-CZ 3.71Å; E524-R526 IonicContact OE1-NE 2.75Å; E524-R526 PolarHBondContact OE1-NE 2.95Å; E524-R526 IonicContact OE1-NH2 2.65Å; E524-R526 PolarHBondContact OE1-NH2 2.95Å; E524-R526 IonicContact OE2-NH2 3.66Å; E524-R526 PolarHBondContact OE2-NH2 2.96Å; E524-R552 WeakPolarHBondContact OE2-CG 3.24Å; E524-Q557 VanDerWaalsContact CA-O 3.29Å; E524-Q557 WeakPolarHBondContact CA-O 3.47Å; E524-M638 VanDerWaalsContact O-CA 3.29Å; E524-M638 WeakPolarHBondContact O-CA 3.42Å; E524-N639 HydrophobicContact CG-CB 3.93Å; E524-N639 PolarHBondContact N-O 3.18Å; E524-N639 PolarHBondContact O-N 3.12Å; E524-I641 HydrophobicContact CB-CD1 3.99Å; E524-I641 HydrophobicContact CB-CG1 4.38Å; E524-I641 HydrophobicContact CG-CD1 4.39Å; E524-I641 HydrophobicContact CG-CG1 4.28Å
525	I	98.1	Very high	95.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	95	169.6	-53.7	169.7	0	0	0	107.1	C533 I534 F559 L567 F604 W636 M638	I525-C533 WeakPolarHBondContact O-CA 3.45Å; I525-I534 HydrophobicContact CB-CB 4.15Å; I525-I534 HydrophobicContact CB-CD1 3.99Å; I525-I534 HydrophobicContact CB-CG1 4.08Å; I525-I534 HydrophobicContact CD1-CD1 4.24Å; I525-I534 HydrophobicContact CG2-CD1 3.6Å; I525-I534 HydrophobicContact CG2-CG1 4.03Å; I525-I534 PolarHBondContact O-N 3.29Å; I525-F559 HydrophobicContact CD1-CB 3.69Å; I525-F559 HydrophobicContact CD1-CD2 3.9Å; I525-F559 HydrophobicContact CD1-CG 3.76Å; I525-F559 HydrophobicContact CG1-CB 4.07Å; I525-F559 HydrophobicContact CG1-CD2 4.1Å; I525-F559 HydrophobicContact CG1-CG 4.31Å; I525-L567 HydrophobicContact CD1-CD1 3.94Å; I525-L567 HydrophobicContact CD1-CD2 4.1Å; I525-L567 HydrophobicContact CD1-CG 4.41Å; I525-F604 HydrophobicContact CD1-CZ 4.4Å; I525-F604 HydrophobicContact CG1-CZ 4.38Å; I525-F604 HydrophobicContact CG2-CD2 4.44Å; I525-F604 HydrophobicContact CG2-CE2 3.74Å; I525-F604 HydrophobicContact CG2-CZ 4.18Å; I525-W636 HydrophobicContact CG2-CB 4.25Å; I525-W636 HydrophobicContact CG2-CD2 4.24Å; I525-W636 HydrophobicContact CG2-CE3 3.8Å; I525-W636 HydrophobicContact CG2-CG 4.46Å; I525-W636 HydrophobicContact CG2-CZ3 4.48Å; I525-M638 HydrophobicContact CG1-CG 4.36Å; I525-M638 HydrophobicContact CG1-SD 4.35Å
526	R	97.6	Very high	95.9	Very high	20 Å²	20	38.4 Å²	38.4	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.5	-175.7	177.9	-173.6	-68.4	-98.8	-2.8	110.3	E524 F528 T530 C550 W636 E637	E524-R526 IonicContact OE1-CZ 3.71Å; E524-R526 IonicContact OE1-NE 2.75Å; E524-R526 PolarHBondContact OE1-NE 2.95Å; E524-R526 IonicContact OE1-NH2 2.65Å; E524-R526 PolarHBondContact OE1-NH2 2.95Å; E524-R526 IonicContact OE2-NH2 3.66Å; E524-R526 PolarHBondContact OE2-NH2 2.96Å; R526-F528 PolarHBondContact O-N 3.38Å; R526-T530 WeakPolarHBondContact CD-O 3.16Å; R526-T530 PolarHBondContact NH1-O 3.08Å; R526-T530 VanDerWaalsContact NH1-O 3.09Å; R526-C550 VanDerWaalsContact NH2-CB 3.33Å; R526-W636 CarbonylContact O-C 3.59Å; R526-W636 VanDerWaalsContact O-CA 3.31Å; R526-W636 WeakPolarHBondContact O-CA 3.36Å; R526-E637 HydrophobicContact CB-CG 3.85Å; R526-E637 WeakPolarHBondContact CD-OE1 3.27Å; R526-E637 HydrophobicContact CG-CG 4.24Å; R526-E637 PolarHBondContact N-O 3.16Å; R526-E637 PolarHBondContact O-N 3.44Å
527	G	97.4	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	125.8	169.1	0	0	0	0	0	110.2	E529 T530 Y532	G527-E529 PolarHBondContact O-N 3.1Å; G527-T530 VanDerWaalsContact C-OG1 3.31Å; G527-T530 WeakPolarHBondContact CA-OG1 3.48Å; G527-T530 WeakPolarHBondContact O-CA 3.25Å; G527-T530 WeakPolarHBondContact O-CB 3.26Å; G527-T530 PolarHBondContact O-N 3.35Å; G527-T530 PolarHBondContact O-OG1 3.27Å; G527-Y532 PolarHBondContact N-O 3.04Å
528	F	95.8	Very high	95.9	Very high	50 Å²	50	41.6 Å²	41.6	22%	0.219	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	128.9	-174.2	-175.8	-106	0	0	0	111.5	R526 T530 H602 K635	R526-F528 PolarHBondContact O-N 3.38Å; F528-T530 WeakPolarHBondContact O-CG2 3.45Å; F528-T530 PolarHBondContact O-N 3.24Å; F528-H602 HydrophobicContact CD2-CB 4.43Å; F528-H602 AromaticContact CD2-CD2 3.93Å; F528-H602 AromaticContact CD2-CE1 3.83Å; F528-H602 AromaticContact CD2-CG 3.77Å; F528-H602 AromaticContact CD2-ND1 3.71Å; F528-H602 AromaticContact CD2-NE2 3.97Å; F528-H602 AromaticContact CE2-CD2 3.7Å; F528-H602 AromaticContact CE2-CE1 3.54Å; F528-H602 AromaticContact CE2-CG 3.99Å; F528-H602 AromaticContact CE2-ND1 3.9Å; F528-H602 AromaticContact CE2-NE2 3.39Å; F528-H602 WeakPolarHBondContact CE2-NE2 3.17Å; F528-H602 AromaticContact CZ-NE2 3.99Å; F528-K635 HydrophobicContact CB-CB 3.5Å; F528-K635 WeakPolarHBondContact CB-O 3.36Å; F528-K635 HydrophobicContact CD1-CB 4.28Å; F528-K635 HydrophobicContact CD1-CD 4.18Å; F528-K635 HydrophobicContact CG-CB 4.09Å; F528-K635 PolarHBondContact N-O 3.27Å
529	E	92.5	Very high	95.9	Very high	170 Å²	170	38.7 Å²	38.7	79%	0.794	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	25.8	-175	-63.2	177.5	175.9	0	0	114.6	G527	G527-E529 PolarHBondContact O-N 3.1Å
530	T	94.8	Very high	95.7	Very high	31 Å²	31	40.5 Å²	40.5	19%	0.19	22%	0.219	C	C	.	.	S	Bend	trans	-122.8	174.1	176.8	78.7	0	0	0	0	113.6	R526 G527 F528 Y532 R615	R526-T530 WeakPolarHBondContact CD-O 3.16Å; R526-T530 PolarHBondContact NH1-O 3.08Å; R526-T530 VanDerWaalsContact NH1-O 3.09Å; G527-T530 VanDerWaalsContact C-OG1 3.31Å; G527-T530 WeakPolarHBondContact CA-OG1 3.48Å; G527-T530 WeakPolarHBondContact O-CA 3.25Å; G527-T530 WeakPolarHBondContact O-CB 3.26Å; G527-T530 PolarHBondContact O-N 3.35Å; G527-T530 PolarHBondContact O-OG1 3.27Å; F528-T530 WeakPolarHBondContact O-CG2 3.45Å; F528-T530 PolarHBondContact O-N 3.24Å; T530-Y532 PolarHBondContact OG1-N 2.95Å; T530-R615 VanDerWaalsContact CG2-NH2 3.28Å
531	S	94.7	Very high	95.5	Very high	86 Å²	86	41.9 Å²	41.9	60%	0.601	22%	0.224	S	C	*	.	S	Bend	trans	-107.3	20.3	171.5	-60.3	0	0	0	0	112.9	P549 C550	S531-P549 WeakPolarHBondContact O-CA 3.38Å; S531-C550 PolarHBondContact O-N 3.02Å; S531-C550 PolarHBondContact O-SG 2.77Å
532	Y	96.7	Very high	95.4	Very high	74 Å²	74	42.4 Å²	42.4	29%	0.29	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133	175.5	-71.3	-76.5	0	0	0	111.2	G527 T530 I547 G548 P549 H620	G527-Y532 PolarHBondContact N-O 3.04Å; T530-Y532 PolarHBondContact OG1-N 2.95Å; Y532-I547 HydrophobicContact CD1-CD1 4.4Å; Y532-I547 HydrophobicContact CG-CD1 4.32Å; Y532-G548 CarbonylContact C-O 3.55Å; Y532-G548 WeakPolarHBondContact CA-O 3.11Å; Y532-P549 HydrophobicContact CE1-CG 4.46Å; Y532-H620 AromaticContact CE1-CE1 3.63Å; Y532-H620 AromaticContact CE1-ND1 3.8Å; Y532-H620 AromaticContact CZ-CE1 3.93Å
533	C	97.7	Very high	95.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.1	-179.3	-74.7	0	0	0	0	109.3	I525 D535 I547 G548 C550	I525-C533 WeakPolarHBondContact O-CA 3.45Å; C533-D535 PolarHBondContact O-N 3.35Å; C533-I547 CarbonylContact O-C 3.45Å; C533-I547 VanDerWaalsContact O-CA 3.22Å; C533-I547 WeakPolarHBondContact O-CA 3.39Å; C533-G548 PolarHBondContact N-O 3.34Å; C533-G548 PolarHBondContact O-N 3.01Å; C533-C550 HydrophobicContact CB-CB 3.98Å; C533-C550 WeakPolarHBondContact CB-SG 3.44Å; C533-C550 PolarHBondContact N-SG 3.32Å; C533-C550 WeakPolarHBondContact SG-CB 3.32Å; C533-C550 CovalentContact SG-SG 2.03Å; C533-C550 PolarHBondContact SG-SG 3.48Å
534	I	98	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.5	166.9	-60.7	-171.2	0	0	0	108.2	I525 V545 E546 I547 F559 L613 V622 W636	I525-I534 HydrophobicContact CB-CB 4.15Å; I525-I534 HydrophobicContact CB-CD1 3.99Å; I525-I534 HydrophobicContact CB-CG1 4.08Å; I525-I534 HydrophobicContact CD1-CD1 4.24Å; I525-I534 HydrophobicContact CG2-CD1 3.6Å; I525-I534 HydrophobicContact CG2-CG1 4.03Å; I525-I534 PolarHBondContact O-N 3.29Å; I534-V545 HydrophobicContact CG2-CG1 3.22Å; I534-E546 WeakPolarHBondContact CA-O 3.48Å; I534-I547 HydrophobicContact CG1-CG2 4.47Å; I534-F559 HydrophobicContact CB-CE2 4.17Å; I534-F559 HydrophobicContact CG2-CE2 3.86Å; I534-F559 HydrophobicContact CG2-CZ 3.82Å; I534-F559 WeakPolarHBondContact O-CE2 3.23Å; I534-L613 HydrophobicContact CD1-CD2 3.69Å; I534-V622 HydrophobicContact CD1-CG1 4.27Å; I534-V622 HydrophobicContact CD1-CG2 4.49Å; I534-V622 HydrophobicContact CG1-CG2 4.16Å; I534-W636 HydrophobicContact CD1-CE3 4.35Å; I534-W636 HydrophobicContact CD1-CH2 4.04Å; I534-W636 HydrophobicContact CD1-CZ3 3.97Å; I534-W636 HydrophobicContact CG1-CE3 4.32Å; I534-W636 HydrophobicContact CG1-CH2 3.87Å; I534-W636 HydrophobicContact CG1-CZ3 3.61Å
535	D	97.1	Very high	95.3	Very high	15 Å²	15	46.2 Å²	46.2	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.5	-177.7	-163.9	-44.2	0	0	0	108.9	C533 M537 V545 E546 N556 Q557	C533-D535 PolarHBondContact O-N 3.35Å; D535-M537 HydrophobicContact CB-CE 4.08Å; D535-M537 HydrophobicContact CB-SD 4.19Å; D535-M537 PolarHBondContact O-N 2.98Å; D535-M537 WeakPolarHBondContact OD1-CA 3.31Å; D535-M537 PolarHBondContact OD1-N 3.26Å; D535-V545 VanDerWaalsContact O-CG1 3.29Å; D535-V545 WeakPolarHBondContact O-CG1 3.27Å; D535-E546 PolarHBondContact N-O 3.15Å; D535-E546 PolarHBondContact O-N 3.39Å; D535-N556 VanDerWaalsContact OD1-CB 3.29Å; D535-N556 WeakPolarHBondContact OD1-CB 3.41Å; D535-Q557 HydrophobicContact CB-CG 3.87Å; D535-Q557 WeakPolarHBondContact OD2-CG 3.22Å; D535-Q557 PolarHBondContact OD2-NE2 2.97Å
536	S	96.3	Very high	95.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.			trans	-72.1	-12.5	176.3	65.5	0	0	0	0	113.2	G538 H539 N556 Q569	S536-G538 PolarHBondContact O-N 3.32Å; S536-G538 PolarHBondContact OG-N 2.92Å; S536-H539 WeakPolarHBondContact O-CB 3.3Å; S536-H539 PolarHBondContact O-N 3.01Å; S536-N556 PolarHBondContact N-O 3.34Å; S536-N556 WeakPolarHBondContact OG-CB 3.49Å; S536-N556 PolarHBondContact OG-O 3.02Å; S536-Q569 PolarHBondContact OG-OE1 3.16Å
537	M	94.1	Very high	95.3	Very high	75 Å²	75	48.7 Å²	48.7	37%	0.369	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	15.4	-172.1	-55.2	-61.9	-177.7	0	0	113.1	D535 H539 E546	D535-M537 HydrophobicContact CB-CE 4.08Å; D535-M537 HydrophobicContact CB-SD 4.19Å; D535-M537 PolarHBondContact O-N 2.98Å; D535-M537 WeakPolarHBondContact OD1-CA 3.31Å; D535-M537 PolarHBondContact OD1-N 3.26Å; M537-H539 PolarHBondContact O-N 2.8Å; M537-E546 HydrophobicContact CE-CB 3.56Å; M537-E546 HydrophobicContact CG-CB 4.1Å; M537-E546 HydrophobicContact CG-CG 4.48Å
538	G	92.2	Very high	95.2	Very high	42 Å²	42	48.9 Å²	48.9	43%	0.433	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	8.7	-169.7	0	0	0	0	0	113.6	S536 N556	S536-G538 PolarHBondContact O-N 3.32Å; S536-G538 PolarHBondContact OG-N 2.92Å; G538-N556 PolarHBondContact N-ND2 2.86Å; G538-N556 VanDerWaalsContact N-ND2 3.13Å
539	H	94.8	Very high	95.2	Very high	72 Å²	72	51.1 Å²	51.1	33%	0.333	30%	0.298	S	S	.	.			trans	-64	147.5	171.8	-62.2	156.2	0	0	0	110.8	S536 M537 N544 E546 I584	S536-H539 WeakPolarHBondContact O-CB 3.3Å; S536-H539 PolarHBondContact O-N 3.01Å; M537-H539 PolarHBondContact O-N 2.8Å; H539-N544 PolarHBondContact ND1-O 3.04Å; H539-E546 IonicContact CE1-OE1 3.04Å; H539-I584 HydrophobicContact CB-CG2 4.28Å; H539-I584 WeakPolarHBondContact O-CG2 3.45Å
540	T	92	Very high	95.4	Very high	77 Å²	77	44.3 Å²	44.3	47%	0.472	27%	0.269	S	S	.	.			trans	-141.8	161.9	177.5	63.6	0	0	0	0	109.4	G542 Q572	T540-G542 PolarHBondContact O-N 3Å; T540-Q572 VanDerWaalsContact CA-OE1 3.24Å; T540-Q572 VanDerWaalsContact CG2-NE2 3.3Å
541	N	92.4	Very high	95.3	Very high	112 Å²	112	46.4 Å²	46.4	60%	0.599	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	55.5	167	-60.1	-48.5	0	0	0	115.3	I584	N541-I584 PolarHBondContact N-O 3.12Å
542	G	93.4	Very high	95.1	Very high	38 Å²	38	50 Å²	50	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	-0.6	174.5	0	0	0	0	0	114.7	T540 I584	T540-G542 PolarHBondContact O-N 3Å; G542-I584 WeakPolarHBondContact CA-O 3.37Å; G542-I584 PolarHBondContact N-O 3.34Å
543	G	94.8	Very high	94.6	Very high	21 Å²	21	54 Å²	54	22%	0.216	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	150.2	175.8	0	0	0	0	0	113.1	I583 I584	G543-I583 CarbonylContact O-C 3.41Å; G543-I583 VanDerWaalsContact O-CA 3.25Å; G543-I583 WeakPolarHBondContact O-CA 2.78Å; G543-I583 WeakPolarHBondContact O-CB 3.41Å; G543-I584 PolarHBondContact O-N 2.79Å
544	N	95.7	Very high	94.2	Very high	85 Å²	85	54.3 Å²	54.3	46%	0.455	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141.6	177.9	-67.6	-45	0	0	0	110.9	H539 I583	H539-N544 PolarHBondContact ND1-O 3.04Å; N544-I583 WeakPolarHBondContact OD1-CG2 3.39Å
545	V	96.3	Very high	93.8	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-90.3	141.2	169.1	-171.7	0	0	0	0	108.9	I534 D535 F559 L574 V582 I584	I534-V545 HydrophobicContact CG2-CG1 3.22Å; D535-V545 VanDerWaalsContact O-CG1 3.29Å; D535-V545 WeakPolarHBondContact O-CG1 3.27Å; V545-F559 HydrophobicContact CG1-CZ 4.49Å; V545-L574 HydrophobicContact CG1-CD2 4.44Å; V545-L574 HydrophobicContact CG2-CD1 4.19Å; V545-L574 HydrophobicContact CG2-CD2 4.31Å; V545-L574 HydrophobicContact CG2-CG 4Å; V545-V582 PolarHBondContact N-O 2.84Å; V545-I584 HydrophobicContact CG2-CB 3.89Å; V545-I584 HydrophobicContact CG2-CG2 4.19Å
546	E	96.6	Very high	93.7	Very high	69 Å²	69	58 Å²	58	32%	0.322	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	178.1	-173.2	-69.1	179.2	-146.1	0	0	110.5	I534 D535 M537 H539	I534-E546 WeakPolarHBondContact CA-O 3.48Å; D535-E546 PolarHBondContact N-O 3.15Å; D535-E546 PolarHBondContact O-N 3.39Å; M537-E546 HydrophobicContact CE-CB 3.56Å; M537-E546 HydrophobicContact CG-CB 4.1Å; M537-E546 HydrophobicContact CG-CG 4.48Å; H539-E546 IonicContact CE1-OE1 3.04Å
547	I	97.3	Very high	93.6	Very high	2 Å²	2	58 Å²	58	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.1	165.1	59.1	171.4	0	0	0	110.3	Y532 C533 I534 R615 H620 V622 W636	Y532-I547 HydrophobicContact CD1-CD1 4.4Å; Y532-I547 HydrophobicContact CG-CD1 4.32Å; C533-I547 CarbonylContact O-C 3.45Å; C533-I547 VanDerWaalsContact O-CA 3.22Å; C533-I547 WeakPolarHBondContact O-CA 3.39Å; I534-I547 HydrophobicContact CG1-CG2 4.47Å; I547-R615 HydrophobicContact CD1-CB 4.32Å; I547-R615 HydrophobicContact CG2-CB 4.39Å; I547-H620 VanDerWaalsContact CG1-CA 3.45Å; I547-H620 HydrophobicContact CG1-CB 4.04Å; I547-H620 PolarHBondContact N-O 3.07Å; I547-H620 VanDerWaalsContact N-O 3.17Å; I547-V622 HydrophobicContact CG2-CG2 3.43Å; I547-V622 VanDerWaalsContact CG2-CG2 3.43Å; I547-W636 HydrophobicContact CG2-CH2 4.13Å
548	G	95.7	Very high	93.6	Very high	5 Å²	5	55.3 Å²	55.3	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	167.3	173.3	0	0	0	0	0	111.3	Y532 C533 C550	Y532-G548 CarbonylContact C-O 3.55Å; Y532-G548 WeakPolarHBondContact CA-O 3.11Å; C533-G548 PolarHBondContact N-O 3.34Å; C533-G548 PolarHBondContact O-N 3.01Å; G548-C550 PolarHBondContact O-N 2.92Å
549	P	96.4	Very high	93.9	Very high	96 Å²	96	53.5 Å²	53.5	62%	0.623	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	130.2	168.4	-24.5	34.9	0	0	0	110.6	S531 Y532 H551 Q557	S531-P549 WeakPolarHBondContact O-CA 3.38Å; Y532-P549 HydrophobicContact CE1-CG 4.46Å; P549-H551 PolarHBondContact O-N 2.81Å; P549-Q557 PolarHBondContact O-NE2 3.4Å
550	C	95.9	Very high	94	Very high	27 Å²	27	51.1 Å²	51.1	18%	0.182	29%	0.285	C	S	.	.			trans	-64.6	125.7	178.5	-60.6	0	0	0	0	110.5	R526 S531 C533 G548	R526-C550 VanDerWaalsContact NH2-CB 3.33Å; S531-C550 PolarHBondContact O-N 3.02Å; S531-C550 PolarHBondContact O-SG 2.77Å; C533-C550 HydrophobicContact CB-CB 3.98Å; C533-C550 WeakPolarHBondContact CB-SG 3.44Å; C533-C550 PolarHBondContact N-SG 3.32Å; C533-C550 WeakPolarHBondContact SG-CB 3.32Å; C533-C550 CovalentContact SG-SG 2.03Å; C533-C550 PolarHBondContact SG-SG 3.48Å; G548-C550 PolarHBondContact O-N 2.92Å
551	H	93.3	Very high	94.2	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.347	26%	0.263	S	S	.	.			trans	-110.2	-10	178.6	58.6	71.2	0	0	0	114	P549 M553 G554 Q557	P549-H551 PolarHBondContact O-N 2.81Å; H551-M553 HydrophobicContact CB-CG 4.34Å; H551-M553 VanDerWaalsContact ND1-CB 3.28Å; H551-M553 WeakPolarHBondContact ND1-CB 3.37Å; H551-M553 PolarHBondContact ND1-N 3.12Å; H551-M553 WeakPolarHBondContact O-CG 3.38Å; H551-M553 PolarHBondContact O-N 3.42Å; H551-M553 VanDerWaalsContact O-N 3.16Å; H551-G554 PolarHBondContact CE1-O 3.18Å; H551-Q557 PolarHBondContact CD2-NE2 2.65Å; H551-Q557 PolarHBondContact CD2-OE1 3.31Å; H551-Q557 VanDerWaalsContact CD2-OE1 3.26Å; H551-Q557 VanDerWaalsContact NE2-CG 3.3Å; H551-Q557 WeakPolarHBondContact NE2-CG 3.29Å; H551-Q557 PolarHBondContact NE2-NE2 2.78Å; H551-Q557 PolarHBondContact NE2-OE1 2.89Å
552	R	90.3	Very high	94.3	Very high	161 Å²	161	42.4 Å²	42.4	61%	0.608	24%	0.236	S	C	*	.			trans	54.8	29	179.6	-63	-176.5	172.6	-172.7	-0.9	114.6	E524 I641	E524-R552 WeakPolarHBondContact OE2-CG 3.24Å; R552-I641 WeakPolarHBondContact O-CG2 3.38Å
553	M	87.3	Confident	94.4	Very high	159 Å²	159	46.5 Å²	46.5	78%	0.783	25%	0.245	S	C	*	.			trans	-103.9	6.9	179	-54.1	178.8	168.8	0	0	112.8	H551	H551-M553 HydrophobicContact CB-CG 4.34Å; H551-M553 VanDerWaalsContact ND1-CB 3.28Å; H551-M553 WeakPolarHBondContact ND1-CB 3.37Å; H551-M553 PolarHBondContact ND1-N 3.12Å; H551-M553 WeakPolarHBondContact O-CG 3.38Å; H551-M553 PolarHBondContact O-N 3.42Å; H551-M553 VanDerWaalsContact O-N 3.16Å
554	G	88.7	Confident	94.4	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	25%	0.246	C	C	.	.			trans	68.2	-130.2	-173	0	0	0	0	0	111.8	H551 N556 Q557	H551-G554 PolarHBondContact CE1-O 3.18Å; G554-N556 PolarHBondContact O-N 3.33Å; G554-Q557 PolarHBondContact O-N 2.97Å; G554-Q557 VanDerWaalsContact O-N 3.12Å
555	G	89.4	Confident	94.4	Very high	30 Å²	30	47 Å²	47	31%	0.309	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	57.7	-122.3	178.3	0	0	0	0	0	112.2	Q557 L558 Q569	G555-Q557 PolarHBondContact O-N 2.88Å; G555-L558 WeakPolarHBondContact O-CB 3.27Å; G555-L558 PolarHBondContact O-N 3.4Å; G555-L558 VanDerWaalsContact O-N 3.16Å; G555-Q569 PolarHBondContact O-NE2 3.22Å
556	N	93.9	Very high	94.4	Very high	61 Å²	61	47 Å²	47	33%	0.326	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-70.5	-13.5	-177.5	-64	-10.7	0	0	0	114	D535 S536 G538 G554 Q569	D535-N556 VanDerWaalsContact OD1-CB 3.29Å; D535-N556 WeakPolarHBondContact OD1-CB 3.41Å; S536-N556 PolarHBondContact N-O 3.34Å; S536-N556 WeakPolarHBondContact OG-CB 3.49Å; S536-N556 PolarHBondContact OG-O 3.02Å; G538-N556 PolarHBondContact N-ND2 2.86Å; G538-N556 VanDerWaalsContact N-ND2 3.13Å; G554-N556 PolarHBondContact O-N 3.33Å; N556-Q569 VanDerWaalsContact C-NE2 3.28Å; N556-Q569 PolarHBondContact O-NE2 2.8Å
557	Q	95.3	Very high	94.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-101.3	10.6	174.1	-66.2	-172.6	-1.6	0	0	113.2	E524 D535 P549 H551 G554 G555	E524-Q557 VanDerWaalsContact CA-O 3.29Å; E524-Q557 WeakPolarHBondContact CA-O 3.47Å; D535-Q557 HydrophobicContact CB-CG 3.87Å; D535-Q557 WeakPolarHBondContact OD2-CG 3.22Å; D535-Q557 PolarHBondContact OD2-NE2 2.97Å; P549-Q557 PolarHBondContact O-NE2 3.4Å; H551-Q557 PolarHBondContact CD2-NE2 2.65Å; H551-Q557 PolarHBondContact CD2-OE1 3.31Å; H551-Q557 VanDerWaalsContact CD2-OE1 3.26Å; H551-Q557 VanDerWaalsContact NE2-CG 3.3Å; H551-Q557 WeakPolarHBondContact NE2-CG 3.29Å; H551-Q557 PolarHBondContact NE2-NE2 2.78Å; H551-Q557 PolarHBondContact NE2-OE1 2.89Å; G554-Q557 PolarHBondContact O-N 2.97Å; G554-Q557 VanDerWaalsContact O-N 3.12Å; G555-Q557 PolarHBondContact O-N 2.88Å
558	L	95	Very high	94.4	Very high	18 Å²	18	44.6 Å²	44.6	9%	0.094	23%	0.231	C	C	.	.			trans	-100.2	126.9	176.6	-173.2	69.6	0	0	0	110.8	E474 W522 G555 Q569 I641	E474-L558 HydrophobicContact CB-CD2 3.79Å; E474-L558 HydrophobicContact CG-CD2 3.91Å; E474-L558 WeakPolarHBondContact OE2-CD2 3.46Å; W522-L558 HydrophobicContact CE3-CD1 3.89Å; W522-L558 HydrophobicContact CZ3-CD1 4.07Å; G555-L558 WeakPolarHBondContact O-CB 3.27Å; G555-L558 PolarHBondContact O-N 3.4Å; G555-L558 VanDerWaalsContact O-N 3.16Å; L558-Q569 PolarHBondContact O-NE2 3.26Å; L558-Q569 VanDerWaalsContact O-NE2 3.08Å; L558-I641 HydrophobicContact CD1-CD1 4.06Å; L558-I641 HydrophobicContact CD1-CG1 4.49Å
559	F	96.9	Very high	94.4	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.4	176.9	-60.6	-88.4	0	0	0	111.1	W522 G523 I525 I534 V545 M568 Q569 L574	W522-F559 CarbonylContact C-O 3.52Å; W522-F559 WeakPolarHBondContact CA-O 3.17Å; G523-F559 PolarHBondContact N-O 3.09Å; G523-F559 PolarHBondContact O-N 2.88Å; I525-F559 HydrophobicContact CD1-CB 3.69Å; I525-F559 HydrophobicContact CD1-CD2 3.9Å; I525-F559 HydrophobicContact CD1-CG 3.76Å; I525-F559 HydrophobicContact CG1-CB 4.07Å; I525-F559 HydrophobicContact CG1-CD2 4.1Å; I525-F559 HydrophobicContact CG1-CG 4.31Å; I534-F559 HydrophobicContact CB-CE2 4.17Å; I534-F559 HydrophobicContact CG2-CE2 3.86Å; I534-F559 HydrophobicContact CG2-CZ 3.82Å; I534-F559 WeakPolarHBondContact O-CE2 3.23Å; V545-F559 HydrophobicContact CG1-CZ 4.49Å; F559-M568 CarbonylContact C-O 3.21Å; F559-M568 VanDerWaalsContact CA-O 3.31Å; F559-M568 WeakPolarHBondContact CA-O 3.39Å; F559-Q569 HydrophobicContact CD1-CB 3.8Å; F559-Q569 HydrophobicContact CE1-CB 3.85Å; F559-L574 HydrophobicContact CD1-CD1 4.02Å; F559-L574 HydrophobicContact CD1-CD2 4.22Å; F559-L574 HydrophobicContact CE1-CD1 3.67Å; F559-L574 HydrophobicContact CE1-CD2 3.99Å
560	R	96.5	Very high	94	Very high	22 Å²	22	45 Å²	45	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.3	171.8	65.1	-175.8	-170.7	-88.4	-12.8	110.4	A470 S471 W522 L567 M568 Y570	A470-R560 VanDerWaalsContact O-CD 3.23Å; A470-R560 WeakPolarHBondContact O-CD 3.34Å; S471-R560 PolarHBondContact O-NH1 2.83Å; W522-R560 HydrophobicContact CB-CB 3.97Å; R560-L567 CarbonylContact O-C 3.52Å; R560-M568 HydrophobicContact CG-CB 3.9Å; R560-M568 PolarHBondContact N-O 2.82Å; R560-M568 PolarHBondContact NH2-SD 3.23Å; R560-M568 PolarHBondContact O-N 2.86Å; R560-Y570 VanDerWaalsContact CZ-O 3.31Å; R560-Y570 PolarHBondContact NH1-O 2.88Å; R560-Y570 PolarHBondContact NH2-O 3.25Å
561	I	97.1	Very high	93.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.2	169.1	-177	164.9	0	0	0	108.7	N519 V520 E521 Q566 L567 W595 F604 M638	N519-I561 WeakPolarHBondContact CA-O 3.47Å; V520-I561 HydrophobicContact CB-CG2 4.17Å; V520-I561 PolarHBondContact N-O 3.28Å; E521-I561 HydrophobicContact CB-CG2 4.03Å; E521-I561 PolarHBondContact N-O 3.27Å; E521-I561 PolarHBondContact O-N 3.03Å; I561-Q566 WeakPolarHBondContact CA-O 3.22Å; I561-L567 HydrophobicContact CB-CD1 4.01Å; I561-W595 HydrophobicContact CD1-CB 4.19Å; I561-F604 HydrophobicContact CD1-CE1 4.38Å; I561-M638 HydrophobicContact CG2-CE 4.01Å; I561-M638 HydrophobicContact CG2-SD 4.04Å
562	N	95	Very high	93.8	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	166.6	-176	74	15.5	0	0	0	112.9	P517 K518 A564 K565 Q566 M568	P517-N562 HydrophobicContact CB-CB 4.2Å; K518-N562 CarbonylContact O-C 3.35Å; K518-N562 WeakPolarHBondContact O-CA 3.46Å; K518-N562 WeakPolarHBondContact O-CB 3.47Å; N562-A564 PolarHBondContact O-N 3.23Å; N562-A564 VanDerWaalsContact O-N 3.16Å; N562-A564 VanDerWaalsContact OD1-C 3.23Å; N562-A564 WeakPolarHBondContact OD1-CA 3.31Å; N562-A564 WeakPolarHBondContact OD1-CB 3.29Å; N562-A564 PolarHBondContact OD1-N 2.69Å; N562-K565 PolarHBondContact O-N 3.22Å; N562-K565 PolarHBondContact OD1-N 2.92Å; N562-K565 VanDerWaalsContact OD1-N 3.11Å; N562-Q566 PolarHBondContact N-O 3.38Å; N562-Q566 VanDerWaalsContact N-O 3.09Å; N562-Q566 PolarHBondContact ND2-OE1 3.48Å; N562-Q566 WeakPolarHBondContact OD1-CB 3.31Å; N562-Q566 PolarHBondContact OD1-N 2.78Å; N562-M568 PolarHBondContact ND2-SD 3.33Å
563	E	94.9	Very high	94.1	Very high	125 Å²	125	36.7 Å²	36.7	58%	0.584	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.3	177.8	-71.7	178	168	0	0	112.9	K518 V520 K565	K518-E563 HydrophobicContact CB-CG 4.3Å; K518-E563 PolarHBondContact O-N 3.14Å; V520-E563 HydrophobicContact CG2-CG 4.08Å; E563-K565 PolarHBondContact O-N 2.82Å
564	A	94.6	Very high	94.6	Very high	29 Å²	29	29.2 Å²	29.2	24%	0.24	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	9.5	172.9	0	0	0	0	0	113.4	P517 N562 Q566 T593	P517-A564 HydrophobicContact CB-CB 4.22Å; P517-A564 HydrophobicContact CG-CB 3.73Å; N562-A564 PolarHBondContact O-N 3.23Å; N562-A564 VanDerWaalsContact O-N 3.16Å; N562-A564 VanDerWaalsContact OD1-C 3.23Å; N562-A564 WeakPolarHBondContact OD1-CA 3.31Å; N562-A564 WeakPolarHBondContact OD1-CB 3.29Å; N562-A564 PolarHBondContact OD1-N 2.69Å; A564-Q566 VanDerWaalsContact C-N 3.26Å; A564-Q566 HydrophobicContact CB-CG 4.45Å; A564-Q566 PolarHBondContact O-N 3.25Å; A564-T593 WeakPolarHBondContact O-CB 3.43Å; A564-T593 VanDerWaalsContact O-CG2 3.25Å; A564-T593 WeakPolarHBondContact O-CG2 3.19Å
565	K	96.4	Very high	94.9	Very high	87 Å²	87	29.2 Å²	29.2	38%	0.378	15%	0.15	S	C	.	.	S	Bend	trans	65.4	25.4	176.8	-58.8	178.4	-179.2	176.1	0	114.1	N562 E563 T593 E594 W595 N596 V607	N562-K565 PolarHBondContact O-N 3.22Å; N562-K565 PolarHBondContact OD1-N 2.92Å; N562-K565 VanDerWaalsContact OD1-N 3.11Å; E563-K565 PolarHBondContact O-N 2.82Å; K565-T593 CarbonylContact O-C 3.58Å; K565-E594 PolarHBondContact O-N 3.01Å; K565-W595 VanDerWaalsContact CA-O 3.31Å; K565-W595 WeakPolarHBondContact CA-O 3.48Å; K565-W595 WeakPolarHBondContact CB-O 3.49Å; K565-W595 PolarHBondContact O-N 2.96Å; K565-N596 VanDerWaalsContact CD-OD1 3.3Å; K565-N596 WeakPolarHBondContact CD-OD1 3.48Å; K565-N596 WeakPolarHBondContact CE-OD1 3.49Å; K565-V607 HydrophobicContact CD-CG2 4.49Å
566	Q	96.6	Very high	95.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	16%	0.155	C	C	.	.			trans	-95	129.6	173.1	-53.9	176.6	-65.9	0	0	109	I561 N562 A564 M568 E588 R589 Q591 T593	I561-Q566 WeakPolarHBondContact CA-O 3.22Å; N562-Q566 PolarHBondContact N-O 3.38Å; N562-Q566 VanDerWaalsContact N-O 3.09Å; N562-Q566 PolarHBondContact ND2-OE1 3.48Å; N562-Q566 WeakPolarHBondContact OD1-CB 3.31Å; N562-Q566 PolarHBondContact OD1-N 2.78Å; A564-Q566 VanDerWaalsContact C-N 3.26Å; A564-Q566 HydrophobicContact CB-CG 4.45Å; A564-Q566 PolarHBondContact O-N 3.25Å; Q566-M568 HydrophobicContact CB-CG 3.76Å; Q566-M568 HydrophobicContact CB-SD 4.16Å; Q566-E588 PolarHBondContact NE2-O 3.47Å; Q566-R589 PolarHBondContact NE2-O 3.14Å; Q566-Q591 PolarHBondContact NE2-O 2.96Å; Q566-T593 HydrophobicContact CG-CG2 4Å
567	L	97.6	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.3	170.9	-174.5	63.5	0	0	0	107.8	I525 R560 I561 C573 L574 W595 F604	I525-L567 HydrophobicContact CD1-CD1 3.94Å; I525-L567 HydrophobicContact CD1-CD2 4.1Å; I525-L567 HydrophobicContact CD1-CG 4.41Å; R560-L567 CarbonylContact O-C 3.52Å; I561-L567 HydrophobicContact CB-CD1 4.01Å; L567-C573 CarbonylContact O-C 3.55Å; L567-C573 VanDerWaalsContact O-CA 3.3Å; L567-C573 WeakPolarHBondContact O-CA 3.34Å; L567-L574 HydrophobicContact CB-CB 4.24Å; L567-L574 HydrophobicContact CD2-CB 4.08Å; L567-L574 HydrophobicContact CD2-CD2 3.74Å; L567-L574 HydrophobicContact CG-CB 4.24Å; L567-L574 HydrophobicContact CG-CD2 4.23Å; L567-L574 PolarHBondContact O-N 3.21Å; L567-W595 HydrophobicContact CB-CB 4.18Å; L567-W595 HydrophobicContact CB-CG 3.83Å; L567-W595 HydrophobicContact CD2-CD2 4.38Å; L567-W595 HydrophobicContact CD2-CG 4.46Å; L567-F604 HydrophobicContact CD1-CE1 4.08Å
568	M	96.1	Very high	94.8	Very high	19 Å²	19	36.8 Å²	36.8	9%	0.094	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.6	-163.9	-51.3	-176.3	81.9	0	0	113.1	F559 R560 N562 Q566 Q572	F559-M568 CarbonylContact C-O 3.21Å; F559-M568 VanDerWaalsContact CA-O 3.31Å; F559-M568 WeakPolarHBondContact CA-O 3.39Å; R560-M568 HydrophobicContact CG-CB 3.9Å; R560-M568 PolarHBondContact N-O 2.82Å; R560-M568 PolarHBondContact NH2-SD 3.23Å; R560-M568 PolarHBondContact O-N 2.86Å; N562-M568 PolarHBondContact ND2-SD 3.33Å; Q566-M568 HydrophobicContact CB-CG 3.76Å; Q566-M568 HydrophobicContact CB-SD 4.16Å; M568-Q572 CarbonylContact C-O 3.48Å; M568-Q572 WeakPolarHBondContact CA-O 3.11Å; M568-Q572 WeakPolarHBondContact CB-O 3.27Å
569	Q	94.8	Very high	94.4	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.9	161.3	174.6	176.7	93.2	0	0	107.9	S536 G555 N556 L558 F559 D571 Q572 I584	S536-Q569 PolarHBondContact OG-OE1 3.16Å; G555-Q569 PolarHBondContact O-NE2 3.22Å; N556-Q569 VanDerWaalsContact C-NE2 3.28Å; N556-Q569 PolarHBondContact O-NE2 2.8Å; L558-Q569 PolarHBondContact O-NE2 3.26Å; L558-Q569 VanDerWaalsContact O-NE2 3.08Å; F559-Q569 HydrophobicContact CD1-CB 3.8Å; F559-Q569 HydrophobicContact CE1-CB 3.85Å; Q569-D571 PolarHBondContact O-N 3.23Å; Q569-Q572 PolarHBondContact N-O 2.82Å; Q569-Q572 PolarHBondContact O-N 3.03Å; Q569-Q572 VanDerWaalsContact O-O 3.12Å; Q569-I584 HydrophobicContact CB-CD1 4.08Å
570	Y	89.6	Confident	94.2	Very high	102 Å²	102	45.4 Å²	45.4	40%	0.4	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-120.3	-171	-57	-62.8	0	0	0	112.1	R560	R560-Y570 VanDerWaalsContact CZ-O 3.31Å; R560-Y570 PolarHBondContact NH1-O 2.88Å; R560-Y570 PolarHBondContact NH2-O 3.25Å
571	D	89.6	Confident	94.1	Very high	76 Å²	76	45.4 Å²	45.4	41%	0.406	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	14.2	178.6	66	-31.6	0	0	0	113.3	Q569 H586	Q569-D571 PolarHBondContact O-N 3.23Å; D571-H586 PolarHBondContact O-ND1 3.16Å; D571-H586 IonicContact OD2-ND1 2.98Å
572	Q	94.6	Very high	94.1	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.6	-178	-65.3	179.4	85.2	0	0	111.5	T540 M568 Q569 I584 T585 C587	T540-Q572 VanDerWaalsContact CA-OE1 3.24Å; T540-Q572 VanDerWaalsContact CG2-NE2 3.3Å; M568-Q572 CarbonylContact C-O 3.48Å; M568-Q572 WeakPolarHBondContact CA-O 3.11Å; M568-Q572 WeakPolarHBondContact CB-O 3.27Å; Q569-Q572 PolarHBondContact N-O 2.82Å; Q569-Q572 PolarHBondContact O-N 3.03Å; Q569-Q572 VanDerWaalsContact O-O 3.12Å; Q572-I584 HydrophobicContact CB-CD1 3.98Å; Q572-I584 HydrophobicContact CB-CG1 3.61Å; Q572-I584 HydrophobicContact CG-CG1 4.45Å; Q572-T585 CarbonylContact C-O 3.58Å; Q572-T585 VanDerWaalsContact CA-O 3.27Å; Q572-T585 WeakPolarHBondContact CA-O 3.04Å; Q572-T585 VanDerWaalsContact CB-O 3.31Å; Q572-T585 WeakPolarHBondContact CB-O 3.18Å; Q572-C587 VanDerWaalsContact C-SG 3.57Å
573	C	96.3	Very high	94.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.4	176.2	-65.7	0	0	0	0	110.9	L567 I584 T585 C587 H592	L567-C573 CarbonylContact O-C 3.55Å; L567-C573 VanDerWaalsContact O-CA 3.3Å; L567-C573 WeakPolarHBondContact O-CA 3.34Å; C573-I584 WeakPolarHBondContact O-CA 3.49Å; C573-T585 PolarHBondContact N-O 3.13Å; C573-T585 PolarHBondContact O-N 3.23Å; C573-C587 HydrophobicContact CB-CB 3.49Å; C573-C587 VanDerWaalsContact CB-CB 3.49Å; C573-C587 WeakPolarHBondContact CB-SG 3.2Å; C573-C587 PolarHBondContact N-SG 3.25Å; C573-C587 WeakPolarHBondContact SG-CB 3.45Å; C573-C587 CovalentContact SG-SG 2.02Å; C573-C587 PolarHBondContact SG-SG 2.81Å; C573-H592 HydrophobicContact CB-CB 3.92Å
574	L	97.1	Very high	94.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.4	165	-89	58.9	0	0	0	108.8	V545 F559 L567 V582 I583 I584 W595	V545-L574 HydrophobicContact CG1-CD2 4.44Å; V545-L574 HydrophobicContact CG2-CD1 4.19Å; V545-L574 HydrophobicContact CG2-CD2 4.31Å; V545-L574 HydrophobicContact CG2-CG 4Å; F559-L574 HydrophobicContact CD1-CD1 4.02Å; F559-L574 HydrophobicContact CD1-CD2 4.22Å; F559-L574 HydrophobicContact CE1-CD1 3.67Å; F559-L574 HydrophobicContact CE1-CD2 3.99Å; L567-L574 HydrophobicContact CB-CB 4.24Å; L567-L574 HydrophobicContact CD2-CB 4.08Å; L567-L574 HydrophobicContact CD2-CD2 3.74Å; L567-L574 HydrophobicContact CG-CB 4.24Å; L567-L574 HydrophobicContact CG-CD2 4.23Å; L567-L574 PolarHBondContact O-N 3.21Å; L574-V582 HydrophobicContact CB-CG1 3.96Å; L574-V582 HydrophobicContact CD2-CG1 4.03Å; L574-V582 HydrophobicContact CG-CG1 3.91Å; L574-I583 CarbonylContact C-O 3.51Å; L574-I583 VanDerWaalsContact CA-O 3.29Å; L574-I583 WeakPolarHBondContact CA-O 3.41Å; L574-I584 HydrophobicContact CD1-CB 4.13Å; L574-I584 HydrophobicContact CD1-CD1 4.15Å; L574-I584 HydrophobicContact CD1-CG1 4.06Å; L574-W595 PolarHBondContact O-NE1 3.38Å
575	T	96.5	Very high	94.3	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171.6	176.2	-175.5	0	0	0	0	110.6	G577 V582 I583 T585 H592 E594	T575-G577 PolarHBondContact O-N 3.11Å; T575-V582 WeakPolarHBondContact O-CA 3.41Å; T575-I583 HydrophobicContact CG2-CD1 4.14Å; T575-I583 HydrophobicContact CG2-CG1 3.77Å; T575-I583 PolarHBondContact N-O 2.91Å; T575-I583 PolarHBondContact O-N 3.13Å; T575-T585 HydrophobicContact CG2-CG2 3.8Å; T575-H592 WeakPolarHBondContact CB-ND1 3.38Å; T575-H592 PolarHBondContact OG1-ND1 2.66Å; T575-H592 VanDerWaalsContact OG1-ND1 3.09Å; T575-E594 WeakPolarHBondContact CB-OE2 2.99Å; T575-E594 PolarHBondContact OG1-OE1 3.07Å; T575-E594 PolarHBondContact OG1-OE2 3.41Å
576	K	95.6	Very high	94.2	Very high	98 Å²	98	40.9 Å²	40.9	43%	0.426	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.1	176.8	-178.3	-162	168.8	-156.7	0	110.1	T609 I624	K576-T609 HydrophobicContact CD-CG2 4.39Å; K576-I624 HydrophobicContact CB-CD1 4.32Å; K576-I624 HydrophobicContact CD-CD1 3.84Å; K576-I624 HydrophobicContact CG-CD1 3.76Å
577	G	92.2	Very high	93.8	Very high	11 Å²	11	41.1 Å²	41.1	11%	0.113	22%	0.215	C	C	.	.			trans	-92.1	-163.1	167.4	0	0	0	0	0	113.2	T575 A581	T575-G577 PolarHBondContact O-N 3.11Å; G577-A581 PolarHBondContact N-O 2.98Å
578	D	88.6	Confident	93.3	Very high	143 Å²	143	47 Å²	47	77%	0.765	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-66.4	153	177.3	-70.3	-24.9	0	0	0	112.2	S580 A581	D578-S580 PolarHBondContact O-N 3.41Å; D578-A581 WeakPolarHBondContact O-CB 3.43Å; D578-A581 PolarHBondContact O-N 2.76Å
579	N	85.6	Confident	92.6	Very high	165 Å²	165	52.5 Å²	52.5	88%	0.882	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	52.9	31.7	175.6	-63.2	-28.5	0	0	0	115	A581	N579-A581 PolarHBondContact O-N 3.04Å
580	S	92.6	Very high	92.2	Very high	36 Å²	36	59 Å²	59	25%	0.252	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	68.5	11.3	-178	-42	0	0	0	0	115.1	D578 F623 I624	D578-S580 PolarHBondContact O-N 3.41Å; S580-F623 CarbonylContact O-C 3.58Å; S580-F623 WeakPolarHBondContact O-CA 3.4Å; S580-F623 VanDerWaalsContact O-CB 3.23Å; S580-F623 WeakPolarHBondContact O-CB 3.26Å; S580-I624 VanDerWaalsContact CB-O 3.3Å; S580-I624 WeakPolarHBondContact CB-O 3.41Å; S580-I624 PolarHBondContact O-N 3.07Å
581	A	94.8	Very high	92.2	Very high	22 Å²	22	57.8 Å²	57.8	18%	0.182	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-65.3	156.2	171.1	0	0	0	0	0	111.2	G577 D578 N579	G577-A581 PolarHBondContact N-O 2.98Å; D578-A581 WeakPolarHBondContact O-CB 3.43Å; D578-A581 PolarHBondContact O-N 2.76Å; N579-A581 PolarHBondContact O-N 3.04Å
582	V	97.3	Very high	92.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.3	169.6	-179.3	0	0	0	0	108.2	V545 L574 T575 W595 L613 V622 I624	V545-V582 PolarHBondContact N-O 2.84Å; L574-V582 HydrophobicContact CB-CG1 3.96Å; L574-V582 HydrophobicContact CD2-CG1 4.03Å; L574-V582 HydrophobicContact CG-CG1 3.91Å; T575-V582 WeakPolarHBondContact O-CA 3.41Å; V582-W595 HydrophobicContact CG1-CZ2 4.34Å; V582-W595 HydrophobicContact CG2-CH2 4.19Å; V582-W595 HydrophobicContact CG2-CZ2 4.36Å; V582-L613 HydrophobicContact CG2-CD1 3.8Å; V582-V622 HydrophobicContact CB-CG1 4.15Å; V582-V622 HydrophobicContact CG2-CG1 4.02Å; V582-I624 HydrophobicContact CG2-CG2 4.16Å
583	I	96.9	Very high	92.4	Very high	31 Å²	31	58.8 Å²	58.8	16%	0.159	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.4	179.8	61.6	171.6	0	0	0	110.3	G543 N544 L574 T575	G543-I583 CarbonylContact O-C 3.41Å; G543-I583 VanDerWaalsContact O-CA 3.25Å; G543-I583 WeakPolarHBondContact O-CA 2.78Å; G543-I583 WeakPolarHBondContact O-CB 3.41Å; N544-I583 WeakPolarHBondContact OD1-CG2 3.39Å; L574-I583 CarbonylContact C-O 3.51Å; L574-I583 VanDerWaalsContact CA-O 3.29Å; L574-I583 WeakPolarHBondContact CA-O 3.41Å; T575-I583 HydrophobicContact CG2-CD1 4.14Å; T575-I583 HydrophobicContact CG2-CG1 3.77Å; T575-I583 PolarHBondContact N-O 2.91Å; T575-I583 PolarHBondContact O-N 3.13Å
584	I	96.8	Very high	92.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.2	171.8	-174	168.1	0	0	0	109.8	H539 N541 G542 G543 V545 Q569 Q572 C573 L574	H539-I584 HydrophobicContact CB-CG2 4.28Å; H539-I584 WeakPolarHBondContact O-CG2 3.45Å; N541-I584 PolarHBondContact N-O 3.12Å; G542-I584 WeakPolarHBondContact CA-O 3.37Å; G542-I584 PolarHBondContact N-O 3.34Å; G543-I584 PolarHBondContact O-N 2.79Å; V545-I584 HydrophobicContact CG2-CB 3.89Å; V545-I584 HydrophobicContact CG2-CG2 4.19Å; Q569-I584 HydrophobicContact CB-CD1 4.08Å; Q572-I584 HydrophobicContact CB-CD1 3.98Å; Q572-I584 HydrophobicContact CB-CG1 3.61Å; Q572-I584 HydrophobicContact CG-CG1 4.45Å; C573-I584 WeakPolarHBondContact O-CA 3.49Å; L574-I584 HydrophobicContact CD1-CB 4.13Å; L574-I584 HydrophobicContact CD1-CD1 4.15Å; L574-I584 HydrophobicContact CD1-CG1 4.06Å
585	T	95.7	Very high	92.4	Very high	32 Å²	32	60.4 Å²	60.4	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.7	-179.6	-171.3	0	0	0	0	111.5	Q572 C573 T575 C587	Q572-T585 CarbonylContact C-O 3.58Å; Q572-T585 VanDerWaalsContact CA-O 3.27Å; Q572-T585 WeakPolarHBondContact CA-O 3.04Å; Q572-T585 VanDerWaalsContact CB-O 3.31Å; Q572-T585 WeakPolarHBondContact CB-O 3.18Å; C573-T585 PolarHBondContact N-O 3.13Å; C573-T585 PolarHBondContact O-N 3.23Å; T575-T585 HydrophobicContact CG2-CG2 3.8Å; T585-C587 PolarHBondContact O-N 3.4Å
586	H	92.9	Very high	92.4	Very high	88 Å²	88	62.1 Å²	62.1	41%	0.407	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	139.6	172.3	-174.7	67.2	0	0	0	111.1	D571	D571-H586 PolarHBondContact O-ND1 3.16Å; D571-H586 IonicContact OD2-ND1 2.98Å
587	C	89.2	Confident	92.5	Very high	10 Å²	10	58.7 Å²	58.7	7%	0.068	30%	0.302	C	S	.	.			trans	-141.8	137.1	-178.6	62.1	0	0	0	0	112.1	Q572 C573 T585 Q591	Q572-C587 VanDerWaalsContact C-SG 3.57Å; C573-C587 HydrophobicContact CB-CB 3.49Å; C573-C587 VanDerWaalsContact CB-CB 3.49Å; C573-C587 WeakPolarHBondContact CB-SG 3.2Å; C573-C587 PolarHBondContact N-SG 3.25Å; C573-C587 WeakPolarHBondContact SG-CB 3.45Å; C573-C587 CovalentContact SG-SG 2.02Å; C573-C587 PolarHBondContact SG-SG 2.81Å; T585-C587 PolarHBondContact O-N 3.4Å; C587-Q591 HydrophobicContact CB-CB 4.49Å
588	E	87.2	Confident	92.7	Very high	124 Å²	124	62.4 Å²	62.4	58%	0.579	32%	0.315	S	S	*	.			trans	-87.6	171.7	167.9	-63.6	-178	-174	0	0	111.5	Q566 N590 Q591	Q566-E588 PolarHBondContact NE2-O 3.47Å; E588-N590 PolarHBondContact O-N 3.09Å; E588-Q591 HydrophobicContact CB-CG 4.24Å; E588-Q591 PolarHBondContact O-N 2.05Å
589	R	80.7	Confident	92.9	Very high	133 Å²	133	61 Å²	61	50%	0.502	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.4	-175	-177.3	175.5	173.5	175.7	1.1	114.9	P514 Q566	P514-R589 HydrophobicContact CB-CB 4.46Å; Q566-R589 PolarHBondContact NE2-O 3.14Å
590	N	85.8	Confident	93.3	Very high	143 Å²	143	60.6 Å²	60.6	77%	0.765	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	8.7	-176.1	-62	-25.8	0	0	0	113.1	E588	E588-N590 PolarHBondContact O-N 3.09Å
591	Q	91.1	Very high	93.4	Very high	77 Å²	77	63.6 Å²	63.6	36%	0.36	31%	0.313	S	S	.	.	S	Bend	trans	-103.3	151.1	179.4	-66.9	173.9	-9	0	0	110.1	Q566 C587 E588 T593	Q566-Q591 PolarHBondContact NE2-O 2.96Å; C587-Q591 HydrophobicContact CB-CB 4.49Å; E588-Q591 HydrophobicContact CB-CG 4.24Å; E588-Q591 PolarHBondContact O-N 2.05Å; Q591-T593 PolarHBondContact O-N 2.68Å; Q591-T593 VanDerWaalsContact O-N 3.12Å
592	H	93.4	Very high	93.5	Very high	48 Å²	48	65.3 Å²	65.3	22%	0.222	32%	0.317	C	S	.	.			trans	54.2	34.1	173.8	-53.6	-50.4	0	0	0	114.8	C573 T575 E594	C573-H592 HydrophobicContact CB-CB 3.92Å; T575-H592 WeakPolarHBondContact CB-ND1 3.38Å; T575-H592 PolarHBondContact OG1-ND1 2.66Å; T575-H592 VanDerWaalsContact OG1-ND1 3.09Å; H592-E594 IonicContact ND1-OE1 3.5Å; H592-E594 PolarHBondContact ND1-OE1 2.87Å; H592-E594 PolarHBondContact O-N 2.66Å
593	T	93.7	Very high	93.4	Very high	62 Å²	62	67.4 Å²	67.4	38%	0.38	33%	0.325	S	S	.	.			trans	-78	60.8	174	61.9	0	0	0	0	110.8	A564 K565 Q566 Q591	A564-T593 WeakPolarHBondContact O-CB 3.43Å; A564-T593 VanDerWaalsContact O-CG2 3.25Å; A564-T593 WeakPolarHBondContact O-CG2 3.19Å; K565-T593 CarbonylContact O-C 3.58Å; Q566-T593 HydrophobicContact CG-CG2 4Å; Q591-T593 PolarHBondContact O-N 2.68Å; Q591-T593 VanDerWaalsContact O-N 3.12Å
594	E	95.8	Very high	93.5	Very high	36 Å²	36	65.9 Å²	65.9	17%	0.168	32%	0.317	C	S	.	.			trans	-119.3	-3.3	-158.4	-64.1	165.5	-173	0	0	114.3	K565 T575 H592 H606 V607 P608	K565-E594 PolarHBondContact O-N 3.01Å; T575-E594 WeakPolarHBondContact CB-OE2 2.99Å; T575-E594 PolarHBondContact OG1-OE1 3.07Å; T575-E594 PolarHBondContact OG1-OE2 3.41Å; H592-E594 IonicContact ND1-OE1 3.5Å; H592-E594 PolarHBondContact ND1-OE1 2.87Å; H592-E594 PolarHBondContact O-N 2.66Å; E594-H606 CarbonylContact O-C 3.53Å; E594-H606 WeakPolarHBondContact O-CA 3.26Å; E594-H606 IonicContact OE2-NE2 2.97Å; E594-H606 PolarHBondContact OE2-NE2 3.41Å; E594-V607 PolarHBondContact O-N 3.15Å; E594-P608 HydrophobicContact CB-CG 4.26Å; E594-P608 HydrophobicContact CG-CG 3.95Å
595	W	97.5	Very high	93.5	Very high	1 Å²	1	67 Å²	67	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.3	-170.6	-64.3	98	0	0	0	113.7	I561 K565 L567 L574 V582 F604 H606 L613 I624	I561-W595 HydrophobicContact CD1-CB 4.19Å; K565-W595 VanDerWaalsContact CA-O 3.31Å; K565-W595 WeakPolarHBondContact CA-O 3.48Å; K565-W595 WeakPolarHBondContact CB-O 3.49Å; K565-W595 PolarHBondContact O-N 2.96Å; L567-W595 HydrophobicContact CB-CB 4.18Å; L567-W595 HydrophobicContact CB-CG 3.83Å; L567-W595 HydrophobicContact CD2-CD2 4.38Å; L567-W595 HydrophobicContact CD2-CG 4.46Å; L574-W595 PolarHBondContact O-NE1 3.38Å; V582-W595 HydrophobicContact CG1-CZ2 4.34Å; V582-W595 HydrophobicContact CG2-CH2 4.19Å; V582-W595 HydrophobicContact CG2-CZ2 4.36Å; W595-F604 HydrophobicContact CE3-CB 4.28Å; W595-F604 HydrophobicContact CZ3-CB 4.41Å; W595-H606 HydrophobicContact CE3-CB 4.33Å; W595-H606 HydrophobicContact CH2-CB 4.26Å; W595-H606 HydrophobicContact CZ3-CB 3.99Å; W595-L613 HydrophobicContact CH2-CD1 3.81Å; W595-L613 HydrophobicContact CZ3-CB 4.15Å; W595-L613 HydrophobicContact CZ3-CD1 4.09Å; W595-I624 HydrophobicContact CH2-CG2 3.66Å; W595-I624 HydrophobicContact CZ3-CG2 4.25Å
596	N	97.1	Very high	93.6	Very high	44 Å²	44	65.7 Å²	65.7	24%	0.235	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.8	162.9	-73.8	-25.4	0	0	0	109.6	K565 F598 F604 T605 V607	K565-N596 VanDerWaalsContact CD-OD1 3.3Å; K565-N596 WeakPolarHBondContact CD-OD1 3.48Å; K565-N596 WeakPolarHBondContact CE-OD1 3.49Å; N596-F598 HydrophobicContact CB-CD2 4.4Å; N596-F598 HydrophobicContact CB-CE2 3.65Å; N596-F598 HydrophobicContact CB-CZ 3.92Å; N596-F604 WeakPolarHBondContact O-CA 3.03Å; N596-T605 PolarHBondContact N-O 3.47Å; N596-T605 PolarHBondContact O-N 3.28Å; N596-V607 HydrophobicContact CB-CG2 4.42Å
597	Y	97.4	Very high	93.7	Very high	26 Å²	26	64.5 Å²	64.5	10%	0.102	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	169.7	178.7	-127.1	0	0	0	110.4	E521 K599 R603 F604 M638	E521-Y597 HydrophobicContact CB-CD1 4.24Å; E521-Y597 HydrophobicContact CB-CE1 4.38Å; E521-Y597 HydrophobicContact CG-CE1 4.2Å; Y597-K599 HydrophobicContact CE1-CB 4.06Å; Y597-K599 HydrophobicContact CE1-CG 4.38Å; Y597-R603 WeakPolarHBondContact CD2-O 3.2Å; Y597-F604 HydrophobicContact CD1-CZ 4.42Å; Y597-F604 AromaticContact CD2-CD1 3.93Å; Y597-F604 HydrophobicContact CD2-CD1 3.93Å; Y597-F604 AromaticContact CD2-CD2 3.71Å; Y597-F604 HydrophobicContact CD2-CD2 3.71Å; Y597-F604 AromaticContact CD2-CE1 3.62Å; Y597-F604 HydrophobicContact CD2-CE1 3.62Å; Y597-F604 AromaticContact CD2-CE2 3.35Å; Y597-F604 HydrophobicContact CD2-CE2 3.35Å; Y597-F604 AromaticContact CD2-CG 3.97Å; Y597-F604 HydrophobicContact CD2-CG 3.97Å; Y597-F604 AromaticContact CD2-CZ 3.31Å; Y597-F604 HydrophobicContact CD2-CZ 3.31Å; Y597-F604 HydrophobicContact CE2-CD2 4.08Å; Y597-F604 HydrophobicContact CE2-CE1 4.49Å; Y597-F604 AromaticContact CE2-CE2 3.5Å; Y597-F604 HydrophobicContact CE2-CE2 3.5Å; Y597-F604 AromaticContact CE2-CZ 3.75Å; Y597-F604 HydrophobicContact CE2-CZ 3.75Å; Y597-F604 HydrophobicContact CG-CD1 4.25Å; Y597-F604 AromaticContact CG-CE1 3.72Å; Y597-F604 HydrophobicContact CG-CE1 3.72Å; Y597-F604 HydrophobicContact CG-CE2 4.22Å; Y597-F604 AromaticContact CG-CZ 3.7Å; Y597-F604 HydrophobicContact CG-CZ 3.7Å; Y597-M638 HydrophobicContact CD1-SD 4.45Å; Y597-M638 HydrophobicContact CE1-CB 3.9Å; Y597-M638 PolarHBondContact OH-N 3.38Å
598	F	95.9	Very high	94	Very high	89 Å²	89	68.3 Å²	68.3	39%	0.39	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	100.6	176	-59.7	-82.8	0	0	0	108.8	N596 D600 L601 H602 R603	N596-F598 HydrophobicContact CB-CD2 4.4Å; N596-F598 HydrophobicContact CB-CE2 3.65Å; N596-F598 HydrophobicContact CB-CZ 3.92Å; F598-D600 PolarHBondContact O-N 2.93Å; F598-L601 HydrophobicContact CB-CB 3.96Å; F598-L601 HydrophobicContact CB-CD1 4.05Å; F598-L601 HydrophobicContact CB-CG 4.16Å; F598-L601 HydrophobicContact CG-CD1 4.32Å; F598-L601 CarbonylContact O-C 3.58Å; F598-L601 PolarHBondContact O-N 2.99Å; F598-L601 VanDerWaalsContact O-N 3.17Å; F598-H602 PolarHBondContact O-N 3.2Å; F598-R603 PolarHBondContact N-O 2.82Å; F598-R603 PolarHBondContact O-N 2.78Å; F598-R603 VanDerWaalsContact O-N 3.12Å
599	K	93.9	Very high	94.4	Very high	114 Å²	114	65.1 Å²	65.1	50%	0.496	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-57.6	-47	-176.7	-168.7	168.5	-171	156.9	0	112.2	E521 Y597 L601 H602	E521-K599 IonicContact OE2-NZ 2.79Å; E521-K599 PolarHBondContact OE2-NZ 3.11Å; Y597-K599 HydrophobicContact CE1-CB 4.06Å; Y597-K599 HydrophobicContact CE1-CG 4.38Å; K599-L601 PolarHBondContact O-N 3.06Å; K599-H602 PolarHBondContact O-N 3.13Å
600	D	93.7	Very high	95.1	Very high	155 Å²	155	61 Å²	61	83%	0.829	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-64.9	-25.1	-179.4	-56.3	-31.6	0	0	0	113.5	F598	F598-D600 PolarHBondContact O-N 2.93Å
601	L	94.3	Very high	95.7	Very high	100 Å²	100	57 Å²	57	52%	0.524	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-97.5	-3.5	178.4	-59.5	-179.7	0	0	0	112.7	F598 K599 R603	F598-L601 HydrophobicContact CB-CB 3.96Å; F598-L601 HydrophobicContact CB-CD1 4.05Å; F598-L601 HydrophobicContact CB-CG 4.16Å; F598-L601 HydrophobicContact CG-CD1 4.32Å; F598-L601 CarbonylContact O-C 3.58Å; F598-L601 PolarHBondContact O-N 2.99Å; F598-L601 VanDerWaalsContact O-N 3.17Å; K599-L601 PolarHBondContact O-N 3.06Å; L601-R603 HydrophobicContact CB-CB 3.94Å; L601-R603 PolarHBondContact O-N 2.76Å
602	H	96.4	Very high	96	Very high	57 Å²	57	53.3 Å²	53.3	26%	0.264	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	45	-169.1	-63.7	-68.2	0	0	0	112.2	F528 F598 K599 K635 W636	F528-H602 HydrophobicContact CD2-CB 4.43Å; F528-H602 AromaticContact CD2-CD2 3.93Å; F528-H602 AromaticContact CD2-CE1 3.83Å; F528-H602 AromaticContact CD2-CG 3.77Å; F528-H602 AromaticContact CD2-ND1 3.71Å; F528-H602 AromaticContact CD2-NE2 3.97Å; F528-H602 AromaticContact CE2-CD2 3.7Å; F528-H602 AromaticContact CE2-CE1 3.54Å; F528-H602 AromaticContact CE2-CG 3.99Å; F528-H602 AromaticContact CE2-ND1 3.9Å; F528-H602 AromaticContact CE2-NE2 3.39Å; F528-H602 WeakPolarHBondContact CE2-NE2 3.17Å; F528-H602 AromaticContact CZ-NE2 3.99Å; F598-H602 PolarHBondContact O-N 3.2Å; K599-H602 PolarHBondContact O-N 3.13Å; H602-K635 HydrophobicContact CB-CB 4.1Å; H602-K635 HydrophobicContact CB-CG 4.49Å; H602-K635 CarbonylContact O-C 3.19Å; H602-K635 WeakPolarHBondContact O-CA 3.5Å; H602-W636 CarbonylContact C-O 3.54Å; H602-W636 VanDerWaalsContact CA-O 3.23Å; H602-W636 WeakPolarHBondContact CA-O 3.37Å; H602-W636 VanDerWaalsContact CB-O 3.3Å; H602-W636 WeakPolarHBondContact CB-O 3.43Å; H602-W636 PolarHBondContact O-N 2.86Å
603	R	96.8	Very high	96.3	Very high	45 Å²	45	51.1 Å²	51.1	17%	0.17	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.6	-165.4	-177.5	178.5	-70.2	-166.2	-1.4	112.9	Y597 F598 L601 C612 V629	Y597-R603 WeakPolarHBondContact CD2-O 3.2Å; F598-R603 PolarHBondContact N-O 2.82Å; F598-R603 PolarHBondContact O-N 2.78Å; F598-R603 VanDerWaalsContact O-N 3.12Å; L601-R603 HydrophobicContact CB-CB 3.94Å; L601-R603 PolarHBondContact O-N 2.76Å; R603-C612 WeakPolarHBondContact CD-SG 3.29Å; R603-V629 VanDerWaalsContact NH2-CG1 3.3Å
604	F	98.1	Very high	96.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.3	162.8	-70.7	-93.3	0	0	0	109.8	I525 I561 L567 W595 N596 Y597 C612 L613 W636 M638	I525-F604 HydrophobicContact CD1-CZ 4.4Å; I525-F604 HydrophobicContact CG1-CZ 4.38Å; I525-F604 HydrophobicContact CG2-CD2 4.44Å; I525-F604 HydrophobicContact CG2-CE2 3.74Å; I525-F604 HydrophobicContact CG2-CZ 4.18Å; I561-F604 HydrophobicContact CD1-CE1 4.38Å; L567-F604 HydrophobicContact CD1-CE1 4.08Å; W595-F604 HydrophobicContact CE3-CB 4.28Å; W595-F604 HydrophobicContact CZ3-CB 4.41Å; N596-F604 WeakPolarHBondContact O-CA 3.03Å; Y597-F604 HydrophobicContact CD1-CZ 4.42Å; Y597-F604 AromaticContact CD2-CD1 3.93Å; Y597-F604 HydrophobicContact CD2-CD1 3.93Å; Y597-F604 AromaticContact CD2-CD2 3.71Å; Y597-F604 HydrophobicContact CD2-CD2 3.71Å; Y597-F604 AromaticContact CD2-CE1 3.62Å; Y597-F604 HydrophobicContact CD2-CE1 3.62Å; Y597-F604 AromaticContact CD2-CE2 3.35Å; Y597-F604 HydrophobicContact CD2-CE2 3.35Å; Y597-F604 AromaticContact CD2-CG 3.97Å; Y597-F604 HydrophobicContact CD2-CG 3.97Å; Y597-F604 AromaticContact CD2-CZ 3.31Å; Y597-F604 HydrophobicContact CD2-CZ 3.31Å; Y597-F604 HydrophobicContact CE2-CD2 4.08Å; Y597-F604 HydrophobicContact CE2-CE1 4.49Å; Y597-F604 AromaticContact CE2-CE2 3.5Å; Y597-F604 HydrophobicContact CE2-CE2 3.5Å; Y597-F604 AromaticContact CE2-CZ 3.75Å; Y597-F604 HydrophobicContact CE2-CZ 3.75Å; Y597-F604 HydrophobicContact CG-CD1 4.25Å; Y597-F604 AromaticContact CG-CE1 3.72Å; Y597-F604 HydrophobicContact CG-CE1 3.72Å; Y597-F604 HydrophobicContact CG-CE2 4.22Å; Y597-F604 AromaticContact CG-CZ 3.7Å; Y597-F604 HydrophobicContact CG-CZ 3.7Å; F604-C612 WeakPolarHBondContact O-CA 3.46Å; F604-L613 HydrophobicContact CB-CB 3.7Å; F604-L613 HydrophobicContact CB-CD2 3.91Å; F604-L613 HydrophobicContact CB-CG 4.49Å; F604-L613 HydrophobicContact CD2-CD2 4.09Å; F604-L613 HydrophobicContact CG-CD2 4.07Å; F604-L613 PolarHBondContact O-N 3.42Å; F604-W636 HydrophobicContact CD2-CB 3.77Å; F604-W636 HydrophobicContact CD2-CG 4.06Å; F604-W636 HydrophobicContact CE2-CB 3.78Å; F604-W636 HydrophobicContact CE2-CG 4.44Å; F604-M638 HydrophobicContact CE1-SD 4.24Å; F604-M638 HydrophobicContact CZ-SD 3.67Å
605	T	97.6	Very high	96.5	Very high	23 Å²	23	47 Å²	47	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129	177.9	-58.3	0	0	0	0	109.9	N596 V607 K611	N596-T605 PolarHBondContact N-O 3.47Å; N596-T605 PolarHBondContact O-N 3.28Å; T605-V607 PolarHBondContact O-N 3.19Å; T605-K611 WeakPolarHBondContact CA-O 3.23Å
606	H	97.7	Very high	96.4	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.023	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106.3	172.5	-177.7	-103.7	0	0	0	109.2	E594 W595 T609 G610 K611 I624	E594-H606 CarbonylContact O-C 3.53Å; E594-H606 WeakPolarHBondContact O-CA 3.26Å; E594-H606 IonicContact OE2-NE2 2.97Å; E594-H606 PolarHBondContact OE2-NE2 3.41Å; W595-H606 HydrophobicContact CE3-CB 4.33Å; W595-H606 HydrophobicContact CH2-CB 4.26Å; W595-H606 HydrophobicContact CZ3-CB 3.99Å; H606-T609 WeakPolarHBondContact ND1-CG2 3.34Å; H606-T609 PolarHBondContact ND1-OG1 2.88Å; H606-T609 PolarHBondContact O-N 2.92Å; H606-G610 PolarHBondContact O-N 3.21Å; H606-K611 PolarHBondContact N-O 3.36Å; H606-I624 HydrophobicContact CB-CD1 4.42Å; H606-I624 HydrophobicContact CB-CG2 4.38Å
607	V	95.3	Very high	96	Very high	63 Å²	63	49.2 Å²	49.2	38%	0.382	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-47.6	-169.2	177.5	0	0	0	0	112.7	K565 E594 N596 T605 T609	K565-V607 HydrophobicContact CD-CG2 4.49Å; E594-V607 PolarHBondContact O-N 3.15Å; N596-V607 HydrophobicContact CB-CG2 4.42Å; T605-V607 PolarHBondContact O-N 3.19Å; V607-T609 VanDerWaalsContact C-N 3.3Å; V607-T609 PolarHBondContact O-N 3.13Å
608	P	95.5	Very high	95.7	Very high	90 Å²	90	55 Å²	55	58%	0.584	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.7	-177.4	-23.8	33.7	0	0	0	114.8	E594	E594-P608 HydrophobicContact CB-CG 4.26Å; E594-P608 HydrophobicContact CG-CG 3.95Å
609	T	95.2	Very high	95.5	Very high	56 Å²	56	56 Å²	56	34%	0.344	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-13.4	-175.6	60.5	0	0	0	0	113.6	K576 H606 V607 K611	K576-T609 HydrophobicContact CD-CG2 4.39Å; H606-T609 WeakPolarHBondContact ND1-CG2 3.34Å; H606-T609 PolarHBondContact ND1-OG1 2.88Å; H606-T609 PolarHBondContact O-N 2.92Å; V607-T609 VanDerWaalsContact C-N 3.3Å; V607-T609 PolarHBondContact O-N 3.13Å; T609-K611 PolarHBondContact O-N 3.26Å; T609-K611 WeakPolarHBondContact OG1-CB 3.42Å; T609-K611 PolarHBondContact OG1-N 3.19Å
610	G	95.7	Very high	95.5	Very high	47 Å²	47	54 Å²	54	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	9.9	-170.9	0	0	0	0	0	114.2	H606 C627	H606-G610 PolarHBondContact O-N 3.21Å; G610-C627 PolarHBondContact O-SG 3.33Å
611	K	97.7	Very high	95.5	Very high	59 Å²	59	52.5 Å²	52.5	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	158.8	-178.9	-67.3	-168.2	179.8	-158.1	0	111.8	T605 H606 T609 I624 S625 D626 C627	T605-K611 WeakPolarHBondContact CA-O 3.23Å; H606-K611 PolarHBondContact N-O 3.36Å; T609-K611 PolarHBondContact O-N 3.26Å; T609-K611 WeakPolarHBondContact OG1-CB 3.42Å; T609-K611 PolarHBondContact OG1-N 3.19Å; K611-I624 HydrophobicContact CB-CB 4.12Å; K611-I624 HydrophobicContact CB-CD1 4.37Å; K611-I624 HydrophobicContact CB-CG1 4.45Å; K611-I624 HydrophobicContact CD-CD1 4.45Å; K611-I624 HydrophobicContact CD-CG1 4.38Å; K611-S625 WeakPolarHBondContact CA-O 3.41Å; K611-S625 VanDerWaalsContact CB-O 3.28Å; K611-S625 WeakPolarHBondContact CB-O 3.32Å; K611-D626 VanDerWaalsContact CE-OD1 3.23Å; K611-D626 WeakPolarHBondContact CE-OD1 3.45Å; K611-D626 IonicContact NZ-OD1 4Å; K611-C627 VanDerWaalsContact C-SG 3.57Å
612	C	98	Very high	95.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.5	179.6	-76.6	0	0	0	0	111.1	R603 F604 D614 I624 S625 C627 Q634	R603-C612 WeakPolarHBondContact CD-SG 3.29Å; F604-C612 WeakPolarHBondContact O-CA 3.46Å; C612-D614 PolarHBondContact O-N 3.19Å; C612-I624 CarbonylContact O-C 3.59Å; C612-I624 VanDerWaalsContact O-CA 3.29Å; C612-I624 WeakPolarHBondContact O-CA 3.41Å; C612-S625 PolarHBondContact N-O 3.23Å; C612-S625 PolarHBondContact O-N 2.94Å; C612-C627 HydrophobicContact CB-CB 4.01Å; C612-C627 WeakPolarHBondContact CB-SG 3.36Å; C612-C627 PolarHBondContact N-SG 2.78Å; C612-C627 WeakPolarHBondContact SG-CB 3.44Å; C612-C627 CovalentContact SG-SG 2.04Å; C612-C627 PolarHBondContact SG-SG 3.4Å; C612-Q634 HydrophobicContact CB-CG 4.35Å
613	L	98.2	Very high	95.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.2	170.8	-168.9	65.7	0	0	0	109.6	I534 V582 W595 F604 V622 I624 Q634 W636	I534-L613 HydrophobicContact CD1-CD2 3.69Å; V582-L613 HydrophobicContact CG2-CD1 3.8Å; W595-L613 HydrophobicContact CH2-CD1 3.81Å; W595-L613 HydrophobicContact CZ3-CB 4.15Å; W595-L613 HydrophobicContact CZ3-CD1 4.09Å; F604-L613 HydrophobicContact CB-CB 3.7Å; F604-L613 HydrophobicContact CB-CD2 3.91Å; F604-L613 HydrophobicContact CB-CG 4.49Å; F604-L613 HydrophobicContact CD2-CD2 4.09Å; F604-L613 HydrophobicContact CG-CD2 4.07Å; F604-L613 PolarHBondContact O-N 3.42Å; L613-V622 HydrophobicContact CD1-CG1 3.57Å; L613-V622 HydrophobicContact CG-CG1 4.31Å; L613-I624 HydrophobicContact CD1-CG2 4.44Å; L613-Q634 WeakPolarHBondContact O-CA 3.49Å; L613-W636 HydrophobicContact CD2-CD2 4.45Å; L613-W636 HydrophobicContact CD2-CZ2 4.39Å; L613-W636 HydrophobicContact CG-CZ2 4.16Å; L613-W636 PolarHBondContact O-NE1 3.17Å
614	D	97.8	Very high	95.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.4	-172.9	-158.9	-5	0	0	0	109.9	C612 F623 S625 K631 T633 Q634	C612-D614 PolarHBondContact O-N 3.19Å; D614-F623 HydrophobicContact CB-CD2 4.04Å; D614-F623 HydrophobicContact CB-CE2 3.68Å; D614-F623 HydrophobicContact CB-CZ 4.05Å; D614-F623 PolarHBondContact N-O 2.98Å; D614-F623 PolarHBondContact O-N 2.91Å; D614-F623 VanDerWaalsContact O-O 3.04Å; D614-S625 WeakPolarHBondContact CB-OG 3.19Å; D614-S625 PolarHBondContact OD2-OG 2.93Å; D614-K631 IonicContact OD2-NZ 3.33Å; D614-T633 WeakPolarHBondContact OD1-CB 3.42Å; D614-T633 PolarHBondContact OD1-OG1 2.83Å; D614-Q634 HydrophobicContact CB-CG 3.92Å
615	R	96.5	Very high	95.7	Very high	6 Å²	6	47 Å²	47	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.4	-179.6	67.5	-179.4	-178.8	-90.6	1.6	112.9	T530 I547 D617 K621 S632 T633 K635 W636	T530-R615 VanDerWaalsContact CG2-NH2 3.28Å; I547-R615 HydrophobicContact CD1-CB 4.32Å; I547-R615 HydrophobicContact CG2-CB 4.39Å; R615-D617 WeakPolarHBondContact CD-OD1 3.35Å; R615-D617 IonicContact NE-OD1 2.78Å; R615-D617 PolarHBondContact NE-OD1 2.9Å; R615-K621 VanDerWaalsContact CA-O 3.32Å; R615-K621 WeakPolarHBondContact CA-O 3.4Å; R615-S632 PolarHBondContact NH2-O 2.7Å; R615-T633 HydrophobicContact CG-CG2 4.34Å; R615-T633 PolarHBondContact NH1-O 2.85Å; R615-T633 VanDerWaalsContact NH1-O 3.12Å; R615-T633 WeakPolarHBondContact O-CB 3.45Å; R615-K635 PolarHBondContact NH1-O 3.24Å; R615-W636 HydrophobicContact CB-CH2 3.66Å; R615-W636 HydrophobicContact CB-CZ2 3.7Å; R615-W636 HydrophobicContact CG-CH2 3.97Å; R615-W636 HydrophobicContact CG-CZ2 3.97Å
616	S	95	Very high	95.7	Very high	30 Å²	30	51.2 Å²	51.2	21%	0.21	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.6	165.2	-179.9	0	0	0	0	109.5	L618 L619 H620 K621	S616-L618 PolarHBondContact O-N 3.14Å; S616-L619 PolarHBondContact O-N 3.13Å; S616-L619 PolarHBondContact OG-N 3.34Å; S616-H620 WeakPolarHBondContact O-CA 3.36Å; S616-H620 PolarHBondContact O-N 3.14Å; S616-K621 PolarHBondContact N-O 2.61Å; S616-K621 PolarHBondContact O-N 3.07Å
617	D	90	Very high	95.7	Very high	61 Å²	61	53.5 Å²	53.5	33%	0.326	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.6	179.3	-62	-15.2	0	0	0	112.6	R615 H620	R615-D617 WeakPolarHBondContact CD-OD1 3.35Å; R615-D617 IonicContact NE-OD1 2.78Å; R615-D617 PolarHBondContact NE-OD1 2.9Å; D617-H620 PolarHBondContact O-CE1 3.35Å; D617-H620 VanDerWaalsContact O-CE1 3.22Å; D617-H620 PolarHBondContact O-ND1 2.94Å
618	L	89.6	Confident	95.7	Very high	149 Å²	149	53.2 Å²	53.2	78%	0.78	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-40.2	178.4	-177.6	67.2	0	0	0	112.9	S616	S616-L618 PolarHBondContact O-N 3.14Å
619	L	91.9	Very high	95.5	Very high	109 Å²	109	54.2 Å²	54.2	57%	0.571	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.5	-177.5	-61.1	178.3	0	0	0	112.7	S616 K621	S616-L619 PolarHBondContact O-N 3.13Å; S616-L619 PolarHBondContact OG-N 3.34Å; L619-K621 HydrophobicContact CB-CD 4.23Å; L619-K621 HydrophobicContact CB-CG 4.07Å; L619-K621 WeakPolarHBondContact O-CG 3.46Å; L619-K621 PolarHBondContact O-N 3.12Å
620	H	93.9	Very high	95.4	Very high	72 Å²	72	56.2 Å²	56.2	33%	0.333	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	35.8	-174.1	-58.4	-59.3	0	0	0	114.2	Y532 I547 S616 D617	Y532-H620 AromaticContact CE1-CE1 3.63Å; Y532-H620 AromaticContact CE1-ND1 3.8Å; Y532-H620 AromaticContact CZ-CE1 3.93Å; I547-H620 VanDerWaalsContact CG1-CA 3.45Å; I547-H620 HydrophobicContact CG1-CB 4.04Å; I547-H620 PolarHBondContact N-O 3.07Å; I547-H620 VanDerWaalsContact N-O 3.17Å; S616-H620 WeakPolarHBondContact O-CA 3.36Å; S616-H620 PolarHBondContact O-N 3.14Å; D617-H620 PolarHBondContact O-CE1 3.35Å; D617-H620 VanDerWaalsContact O-CE1 3.22Å; D617-H620 PolarHBondContact O-ND1 2.94Å
621	K	94.7	Very high	95.4	Very high	123 Å²	123	57.8 Å²	57.8	54%	0.535	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.6	-176.6	-67.8	-174.1	178.9	-174.6	0	113.1	R615 S616 L619 F623	R615-K621 VanDerWaalsContact CA-O 3.32Å; R615-K621 WeakPolarHBondContact CA-O 3.4Å; S616-K621 PolarHBondContact N-O 2.61Å; S616-K621 PolarHBondContact O-N 3.07Å; L619-K621 HydrophobicContact CB-CD 4.23Å; L619-K621 HydrophobicContact CB-CG 4.07Å; L619-K621 WeakPolarHBondContact O-CG 3.46Å; L619-K621 PolarHBondContact O-N 3.12Å; K621-F623 HydrophobicContact CB-CD1 4.42Å
622	V	96.9	Very high	95.2	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.9	167.6	-177.2	0	0	0	0	109.2	I534 I547 V582 L613	I534-V622 HydrophobicContact CD1-CG1 4.27Å; I534-V622 HydrophobicContact CD1-CG2 4.49Å; I534-V622 HydrophobicContact CG1-CG2 4.16Å; I547-V622 HydrophobicContact CG2-CG2 3.43Å; I547-V622 VanDerWaalsContact CG2-CG2 3.43Å; V582-V622 HydrophobicContact CB-CG1 4.15Å; V582-V622 HydrophobicContact CG2-CG1 4.02Å; L613-V622 HydrophobicContact CD1-CG1 3.57Å; L613-V622 HydrophobicContact CG-CG1 4.31Å
623	F	97.5	Very high	95.2	Very high	60 Å²	60	60.1 Å²	60.1	26%	0.263	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	173.1	179.5	56.5	-86.1	0	0	0	110.7	S580 D614 K621	S580-F623 CarbonylContact O-C 3.58Å; S580-F623 WeakPolarHBondContact O-CA 3.4Å; S580-F623 VanDerWaalsContact O-CB 3.23Å; S580-F623 WeakPolarHBondContact O-CB 3.26Å; D614-F623 HydrophobicContact CB-CD2 4.04Å; D614-F623 HydrophobicContact CB-CE2 3.68Å; D614-F623 HydrophobicContact CB-CZ 4.05Å; D614-F623 PolarHBondContact N-O 2.98Å; D614-F623 PolarHBondContact O-N 2.91Å; D614-F623 VanDerWaalsContact O-O 3.04Å; K621-F623 HydrophobicContact CB-CD1 4.42Å
624	I	97.8	Very high	95.1	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.4	170.5	62.6	174.5	0	0	0	111.1	K576 S580 V582 W595 H606 K611 C612 L613	K576-I624 HydrophobicContact CB-CD1 4.32Å; K576-I624 HydrophobicContact CD-CD1 3.84Å; K576-I624 HydrophobicContact CG-CD1 3.76Å; S580-I624 VanDerWaalsContact CB-O 3.3Å; S580-I624 WeakPolarHBondContact CB-O 3.41Å; S580-I624 PolarHBondContact O-N 3.07Å; V582-I624 HydrophobicContact CG2-CG2 4.16Å; W595-I624 HydrophobicContact CH2-CG2 3.66Å; W595-I624 HydrophobicContact CZ3-CG2 4.25Å; H606-I624 HydrophobicContact CB-CD1 4.42Å; H606-I624 HydrophobicContact CB-CG2 4.38Å; K611-I624 HydrophobicContact CB-CB 4.12Å; K611-I624 HydrophobicContact CB-CD1 4.37Å; K611-I624 HydrophobicContact CB-CG1 4.45Å; K611-I624 HydrophobicContact CD-CD1 4.45Å; K611-I624 HydrophobicContact CD-CG1 4.38Å; C612-I624 CarbonylContact O-C 3.59Å; C612-I624 VanDerWaalsContact O-CA 3.29Å; C612-I624 WeakPolarHBondContact O-CA 3.41Å; L613-I624 HydrophobicContact CD1-CG2 4.44Å
625	S	97.4	Very high	95.1	Very high	18 Å²	18	63.6 Å²	63.6	13%	0.126	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	168.9	178.4	76.6	0	0	0	0	111.3	K611 C612 D614 C627 Q634	K611-S625 WeakPolarHBondContact CA-O 3.41Å; K611-S625 VanDerWaalsContact CB-O 3.28Å; K611-S625 WeakPolarHBondContact CB-O 3.32Å; C612-S625 PolarHBondContact N-O 3.23Å; C612-S625 PolarHBondContact O-N 2.94Å; D614-S625 WeakPolarHBondContact CB-OG 3.19Å; D614-S625 PolarHBondContact OD2-OG 2.93Å; S625-C627 PolarHBondContact O-N 3.18Å; S625-Q634 PolarHBondContact OG-NE2 2.97Å
626	D	97.6	Very high	95.2	Very high	111 Å²	111	63.3 Å²	63.3	59%	0.594	35%	0.345	S	S	*	.			trans	-61	135.2	-179.4	-60.1	-35.4	0	0	0	110.5	K611 D628 Q634	K611-D626 VanDerWaalsContact CE-OD1 3.23Å; K611-D626 WeakPolarHBondContact CE-OD1 3.45Å; K611-D626 IonicContact NZ-OD1 4Å; D626-D628 PolarHBondContact O-N 2.84Å; D626-Q634 PolarHBondContact O-NE2 3.31Å
627	C	96.7	Very high	95.3	Very high	53 Å²	53	64 Å²	64	36%	0.358	35%	0.345	S	S	.	.			trans	-65.1	125.7	-173.2	-69.2	0	0	0	0	111.8	G610 K611 C612 S625	G610-C627 PolarHBondContact O-SG 3.33Å; K611-C627 VanDerWaalsContact C-SG 3.57Å; C612-C627 HydrophobicContact CB-CB 4.01Å; C612-C627 WeakPolarHBondContact CB-SG 3.36Å; C612-C627 PolarHBondContact N-SG 2.78Å; C612-C627 WeakPolarHBondContact SG-CB 3.44Å; C612-C627 CovalentContact SG-SG 2.04Å; C612-C627 PolarHBondContact SG-SG 3.4Å; S625-C627 PolarHBondContact O-N 3.18Å
628	D	95.8	Very high	95.6	Very high	57 Å²	57	61.3 Å²	61.3	31%	0.305	33%	0.33	S	S	.	.			trans	-137.4	115.8	-179.4	-175.1	-17.1	0	0	0	109.4	D626 S630 K631 Q634	D626-D628 PolarHBondContact O-N 2.84Å; D628-S630 VanDerWaalsContact CG-OG 3.22Å; D628-S630 PolarHBondContact O-N 2.84Å; D628-S630 VanDerWaalsContact OD1-CB 3.32Å; D628-S630 WeakPolarHBondContact OD1-CB 3.49Å; D628-S630 PolarHBondContact OD1-N 2.85Å; D628-S630 PolarHBondContact OD1-OG 2.82Å; D628-S630 PolarHBondContact OD2-OG 3.25Å; D628-K631 HydrophobicContact CB-CB 4.36Å; D628-K631 HydrophobicContact CB-CD 3.96Å; D628-K631 HydrophobicContact CB-CG 3.93Å; D628-K631 PolarHBondContact O-N 3.37Å; D628-Q634 PolarHBondContact O-OE1 3.35Å
629	V	91.1	Very high	95.8	Very high	111 Å²	111	56.6 Å²	56.6	67%	0.673	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.4	-179.6	-68	0	0	0	0	113.4	R603	R603-V629 VanDerWaalsContact NH2-CG1 3.3Å
630	S	93.3	Very high	95.9	Very high	97 Å²	97	55.1 Å²	55.1	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.1	180	73.9	0	0	0	0	112.9	D628 S632	D628-S630 VanDerWaalsContact CG-OG 3.22Å; D628-S630 PolarHBondContact O-N 2.84Å; D628-S630 VanDerWaalsContact OD1-CB 3.32Å; D628-S630 WeakPolarHBondContact OD1-CB 3.49Å; D628-S630 PolarHBondContact OD1-N 2.85Å; D628-S630 PolarHBondContact OD1-OG 2.82Å; D628-S630 PolarHBondContact OD2-OG 3.25Å; S630-S632 PolarHBondContact O-N 3.1Å
631	K	95.2	Very high	95.4	Very high	80 Å²	80	52.2 Å²	52.2	35%	0.348	29%	0.285	S	S	.	.			trans	-77.7	114.2	-179	-72.1	-175	-177	177	0	111.6	D614 D628 T633 Q634	D614-K631 IonicContact OD2-NZ 3.33Å; D628-K631 HydrophobicContact CB-CB 4.36Å; D628-K631 HydrophobicContact CB-CD 3.96Å; D628-K631 HydrophobicContact CB-CG 3.93Å; D628-K631 PolarHBondContact O-N 3.37Å; K631-T633 PolarHBondContact O-N 2.64Å; K631-Q634 HydrophobicContact CB-CB 4.41Å; K631-Q634 HydrophobicContact CB-CG 4.1Å; K631-Q634 HydrophobicContact CD-CG 4.41Å; K631-Q634 PolarHBondContact O-N 2.92Å
632	S	94.9	Very high	94.2	Very high	76 Å²	76	50.8 Å²	50.8	53%	0.531	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.9	171	55.9	0	0	0	0	112.9	R615 S630 Q634 K635	R615-S632 PolarHBondContact NH2-O 2.7Å; S630-S632 PolarHBondContact O-N 3.1Å; S632-Q634 PolarHBondContact O-N 2.72Å; S632-K635 WeakPolarHBondContact O-CB 3.22Å; S632-K635 PolarHBondContact O-N 2.77Å; S632-K635 VanDerWaalsContact O-N 3.07Å
633	T	96.7	Very high	92.5	Very high	33 Å²	33	52.3 Å²	52.3	20%	0.202	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-68.4	-20	178.3	57.3	0	0	0	0	113.3	D614 R615 K631 K635	D614-T633 WeakPolarHBondContact OD1-CB 3.42Å; D614-T633 PolarHBondContact OD1-OG1 2.83Å; R615-T633 HydrophobicContact CG-CG2 4.34Å; R615-T633 PolarHBondContact NH1-O 2.85Å; R615-T633 VanDerWaalsContact NH1-O 3.12Å; R615-T633 WeakPolarHBondContact O-CB 3.45Å; K631-T633 PolarHBondContact O-N 2.64Å; T633-K635 VanDerWaalsContact C-N 3.34Å
634	Q	97.5	Very high	90.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-90.3	1.6	173.6	-65	-173.6	-1.3	0	0	113.6	C612 L613 D614 S625 D626 D628 K631 S632	C612-Q634 HydrophobicContact CB-CG 4.35Å; L613-Q634 WeakPolarHBondContact O-CA 3.49Å; D614-Q634 HydrophobicContact CB-CG 3.92Å; S625-Q634 PolarHBondContact OG-NE2 2.97Å; D626-Q634 PolarHBondContact O-NE2 3.31Å; D628-Q634 PolarHBondContact O-OE1 3.35Å; K631-Q634 HydrophobicContact CB-CB 4.41Å; K631-Q634 HydrophobicContact CB-CG 4.1Å; K631-Q634 HydrophobicContact CD-CG 4.41Å; K631-Q634 PolarHBondContact O-N 2.92Å; S632-Q634 PolarHBondContact O-N 2.72Å
635	K	97.7	Very high	89.8	Confident	78 Å²	78	60.7 Å²	60.7	34%	0.339	36%	0.355	S	S	.	.			trans	-96.1	128.9	176.6	-62.9	-176.3	-178.2	-179.6	0	110.8	F528 H602 R615 S632 T633	F528-K635 HydrophobicContact CB-CB 3.5Å; F528-K635 WeakPolarHBondContact CB-O 3.36Å; F528-K635 HydrophobicContact CD1-CB 4.28Å; F528-K635 HydrophobicContact CD1-CD 4.18Å; F528-K635 HydrophobicContact CG-CB 4.09Å; F528-K635 PolarHBondContact N-O 3.27Å; H602-K635 HydrophobicContact CB-CB 4.1Å; H602-K635 HydrophobicContact CB-CG 4.49Å; H602-K635 CarbonylContact O-C 3.19Å; H602-K635 WeakPolarHBondContact O-CA 3.5Å; R615-K635 PolarHBondContact NH1-O 3.24Å; S632-K635 WeakPolarHBondContact O-CB 3.22Å; S632-K635 PolarHBondContact O-N 2.77Å; S632-K635 VanDerWaalsContact O-N 3.07Å; T633-K635 VanDerWaalsContact C-N 3.34Å
636	W	97.9	Very high	89.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.4	-174.9	-57.4	93.2	0	0	0	111.2	I525 R526 I534 I547 H602 F604 L613 R615	I525-W636 HydrophobicContact CG2-CB 4.25Å; I525-W636 HydrophobicContact CG2-CD2 4.24Å; I525-W636 HydrophobicContact CG2-CE3 3.8Å; I525-W636 HydrophobicContact CG2-CG 4.46Å; I525-W636 HydrophobicContact CG2-CZ3 4.48Å; R526-W636 CarbonylContact O-C 3.59Å; R526-W636 VanDerWaalsContact O-CA 3.31Å; R526-W636 WeakPolarHBondContact O-CA 3.36Å; I534-W636 HydrophobicContact CD1-CE3 4.35Å; I534-W636 HydrophobicContact CD1-CH2 4.04Å; I534-W636 HydrophobicContact CD1-CZ3 3.97Å; I534-W636 HydrophobicContact CG1-CE3 4.32Å; I534-W636 HydrophobicContact CG1-CH2 3.87Å; I534-W636 HydrophobicContact CG1-CZ3 3.61Å; I547-W636 HydrophobicContact CG2-CH2 4.13Å; H602-W636 CarbonylContact C-O 3.54Å; H602-W636 VanDerWaalsContact CA-O 3.23Å; H602-W636 WeakPolarHBondContact CA-O 3.37Å; H602-W636 VanDerWaalsContact CB-O 3.3Å; H602-W636 WeakPolarHBondContact CB-O 3.43Å; H602-W636 PolarHBondContact O-N 2.86Å; F604-W636 HydrophobicContact CD2-CB 3.77Å; F604-W636 HydrophobicContact CD2-CG 4.06Å; F604-W636 HydrophobicContact CE2-CB 3.78Å; F604-W636 HydrophobicContact CE2-CG 4.44Å; L613-W636 HydrophobicContact CD2-CD2 4.45Å; L613-W636 HydrophobicContact CD2-CZ2 4.39Å; L613-W636 HydrophobicContact CG-CZ2 4.16Å; L613-W636 PolarHBondContact O-NE1 3.17Å; R615-W636 HydrophobicContact CB-CH2 3.66Å; R615-W636 HydrophobicContact CB-CZ2 3.7Å; R615-W636 HydrophobicContact CG-CH2 3.97Å; R615-W636 HydrophobicContact CG-CZ2 3.97Å
637	E	96.7	Very high	88.9	Confident	44 Å²	44	60.2 Å²	60.2	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.4	169.5	61.6	-174.3	-140	0	0	110	R526 N639	R526-E637 HydrophobicContact CB-CG 3.85Å; R526-E637 WeakPolarHBondContact CD-OE1 3.27Å; R526-E637 HydrophobicContact CG-CG 4.24Å; R526-E637 PolarHBondContact N-O 3.16Å; R526-E637 PolarHBondContact O-N 3.44Å; E637-N639 PolarHBondContact OE1-ND2 3.4Å
638	M	96.6	Very high	88.4	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.025	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.2	-179.7	-159	163.2	157.7	0	0	108	E521 E524 I525 I561 Y597 F604	E521-M638 VanDerWaalsContact C-CE 3.4Å; E521-M638 HydrophobicContact CB-CE 4.21Å; E521-M638 HydrophobicContact CB-SD 4.12Å; E521-M638 HydrophobicContact CG-CB 3.9Å; E521-M638 HydrophobicContact CG-CE 4.33Å; E521-M638 HydrophobicContact CG-CG 3.92Å; E521-M638 HydrophobicContact CG-SD 4.05Å; E521-M638 WeakPolarHBondContact O-CE 3.22Å; E524-M638 VanDerWaalsContact O-CA 3.29Å; E524-M638 WeakPolarHBondContact O-CA 3.42Å; I525-M638 HydrophobicContact CG1-CG 4.36Å; I525-M638 HydrophobicContact CG1-SD 4.35Å; I561-M638 HydrophobicContact CG2-CE 4.01Å; I561-M638 HydrophobicContact CG2-SD 4.04Å; Y597-M638 HydrophobicContact CD1-SD 4.45Å; Y597-M638 HydrophobicContact CE1-CB 3.9Å; Y597-M638 PolarHBondContact OH-N 3.38Å; F604-M638 HydrophobicContact CE1-SD 4.24Å; F604-M638 HydrophobicContact CZ-SD 3.67Å
639	N	94.5	Very high	88	Confident	49 Å²	49	60.9 Å²	60.9	26%	0.262	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122	-167.9	-61.9	-34	0	0	0	110.3	G523 E524 E637 I641	G523-N639 CarbonylContact C-O 3.59Å; G523-N639 WeakPolarHBondContact CA-O 3.48Å; E524-N639 HydrophobicContact CG-CB 3.93Å; E524-N639 PolarHBondContact N-O 3.18Å; E524-N639 PolarHBondContact O-N 3.12Å; E637-N639 PolarHBondContact OE1-ND2 3.4Å; N639-I641 PolarHBondContact O-N 2.85Å
640	N	92.8	Very high	87.8	Confident	78 Å²	78	57.5 Å²	57.5	42%	0.417	34%	0.336	S	S	.	.			trans	-60.1	133.1	177.8	-47.2	87.3	0	0	0	110	E521 W522	E521-N640 PolarHBondContact OE1-ND2 3Å; W522-N640 HydrophobicContact CD2-CB 4.49Å; W522-N640 HydrophobicContact CH2-CB 3.95Å; W522-N640 HydrophobicContact CZ2-CB 3.81Å; W522-N640 HydrophobicContact CZ3-CB 4.35Å; W522-N640 PolarHBondContact NE1-ND2 2.78Å; W522-N640 PolarHBondContact O-ND2 3.32Å
641	I	83.3	Confident	87.4	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.062	31%	0.311	C	S	.	.			trans	-96.8	120.1	178.1	-57.2	176.1	0	0	0	107.4	W522 E524 R552 L558 N639 A643	W522-I641 VanDerWaalsContact CH2-O 3.28Å; W522-I641 WeakPolarHBondContact CH2-O 3.48Å; W522-I641 WeakPolarHBondContact CZ3-O 3.34Å; E524-I641 HydrophobicContact CB-CD1 3.99Å; E524-I641 HydrophobicContact CB-CG1 4.38Å; E524-I641 HydrophobicContact CG-CD1 4.39Å; E524-I641 HydrophobicContact CG-CG1 4.28Å; R552-I641 WeakPolarHBondContact O-CG2 3.38Å; L558-I641 HydrophobicContact CD1-CD1 4.06Å; L558-I641 HydrophobicContact CD1-CG1 4.49Å; N639-I641 PolarHBondContact O-N 2.85Å; I641-A643 PolarHBondContact O-N 3.42Å
642	V	70.9	Confident	86.8	Confident	93 Å²	93	52.8 Å²	52.8	56%	0.564	31%	0.309	S	S	*	.			trans	-81	113	171.4	-175.9	0	0	0	0	107.2	V644	V642-V644 PolarHBondContact O-N 2.9Å
643	A	60.6	Low	86.1	Confident	39 Å²	39	50.8 Å²	50.8	32%	0.322	29%	0.29	S	S	.	.			trans	-65.3	114.3	170.6	0	0	0	0	0	108.3	I641	I641-A643 PolarHBondContact O-N 3.42Å
644	V	47.9	Very low	85.1	Confident	177 Å²	177	52.5 Å²	52.5	100%	1.073	30%	0.298	S	S	*	.			trans	-91.8	0	175.3	-174.3	0	0	0	0	110.4	V642	V642-V644 PolarHBondContact O-N 2.9Å

Retrieved 644 of 644 residues in 1028.9 ms (Link to these results)

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