A0A5K4EZS8_SCHMA Loading...

sphinganine-1-phosphate aldolase

AlphaFold DB , UniProt , Accession A0A5K4EZS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 542 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	50.2	Low	203 Å²	203	109.1 Å²	109.1	100%	1	62%	0.623	S	S	*	*				0	-38.9	0	-107	167	64.3	0	0	111.4	S3 L4 L5	M1-S3 PolarHBondContact O-N 2.75Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-L5 PolarHBondContact O-N 3.24Å
2	D	48	Very low	50.6	Low	129 Å²	129	107 Å²	107	69%	0.69	61%	0.614	S	S	*	*	H	α-helix	trans	-69.6	-29.8	-175.2	-56.3	-32.8	0	0	0	115.4	L6	D2-L6 PolarHBondContact O-N 3.27Å; D2-L6 VanDerWaalsContact O-N 3.17Å
3	S	47.2	Very low	50.9	Low	83 Å²	83	109.9 Å²	109.9	58%	0.58	62%	0.615	S	S	*	*	H	α-helix	trans	-70.7	-38.9	177.8	69.3	0	0	0	0	112.8	M1 L5 L6 D7	M1-S3 PolarHBondContact O-N 2.75Å; S3-L5 VanDerWaalsContact C-N 3.33Å; S3-L5 PolarHBondContact O-N 3.03Å; S3-L6 PolarHBondContact O-N 2.66Å; S3-D7 PolarHBondContact O-N 3.07Å
4	L	42.5	Very low	51.5	Low	128 Å²	128	112.5 Å²	112.5	67%	0.67	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-35.6	178.7	-149.2	90.2	0	0	0	111.2	M1 V8	M1-L4 PolarHBondContact O-N 3.24Å; L4-V8 VanDerWaalsContact O-CG2 3.25Å; L4-V8 WeakPolarHBondContact O-CG2 3.32Å; L4-V8 PolarHBondContact O-N 3.5Å
5	L	42	Very low	51.7	Low	123 Å²	123	107.3 Å²	107.3	64%	0.644	60%	0.6	S	S	*	*	H	α-helix	trans	-68	-39.9	176.6	-140.4	97.6	0	0	0	111.4	M1 S3 V8 V9	M1-L5 PolarHBondContact O-N 3.24Å; S3-L5 VanDerWaalsContact C-N 3.33Å; S3-L5 PolarHBondContact O-N 3.03Å; L5-V8 PolarHBondContact O-N 2.78Å; L5-V9 WeakPolarHBondContact O-CB 3.46Å; L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.04Å; L5-V9 PolarHBondContact O-N 3.49Å
6	L	49.6	Very low	51.9	Low	122 Å²	122	108.4 Å²	108.4	64%	0.639	60%	0.596	S	S	*	*	H	α-helix	trans	-65.2	-40.5	175.3	-91.5	155.2	0	0	0	112.3	D2 S3 V9 S10	D2-L6 PolarHBondContact O-N 3.27Å; D2-L6 VanDerWaalsContact O-N 3.17Å; S3-L6 PolarHBondContact O-N 2.66Å; L6-V9 PolarHBondContact O-N 2.7Å; L6-S10 WeakPolarHBondContact O-CB 3.31Å; L6-S10 PolarHBondContact O-N 2.94Å
7	D	53.2	Low	52	Low	109 Å²	109	107.8 Å²	107.8	58%	0.583	59%	0.592	S	S	*	*	H	α-helix	trans	-66.9	-39.8	176.7	-74	-26.1	0	0	0	112	S3 S10 A11	S3-D7 PolarHBondContact O-N 3.07Å; D7-S10 PolarHBondContact O-N 2.99Å; D7-A11 WeakPolarHBondContact O-CB 3.39Å; D7-A11 PolarHBondContact O-N 3.46Å
8	V	51	Low	51.9	Low	80 Å²	80	106.9 Å²	106.9	49%	0.485	59%	0.586	S	S	.	*	H	α-helix	trans	-65.9	-43.8	175.1	171.6	0	0	0	0	111.3	L4 L5 S10 A11 V12	L4-V8 VanDerWaalsContact O-CG2 3.25Å; L4-V8 WeakPolarHBondContact O-CG2 3.32Å; L4-V8 PolarHBondContact O-N 3.5Å; L5-V8 PolarHBondContact O-N 2.78Å; V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 2.96Å; V8-A11 PolarHBondContact O-N 3.34Å; V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CB 3.46Å; V8-V12 VanDerWaalsContact O-CG2 3.25Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 3.34Å
9	V	57.6	Low	51.6	Low	83 Å²	83	104.7 Å²	104.7	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-37.9	177.3	170.7	0	0	0	0	111.5	L5 L6 K13	L5-V9 WeakPolarHBondContact O-CB 3.46Å; L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.04Å; L5-V9 PolarHBondContact O-N 3.49Å; L6-V9 PolarHBondContact O-N 2.7Å; V9-K13 WeakPolarHBondContact O-CB 3.3Å; V9-K13 PolarHBondContact O-N 3.12Å
10	S	61.3	Low	51.7	Low	77 Å²	77	103.6 Å²	103.6	54%	0.538	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-43.9	175.8	-168.1	0	0	0	0	111.9	L6 D7 V8 V12 K13 F14	L6-S10 WeakPolarHBondContact O-CB 3.31Å; L6-S10 PolarHBondContact O-N 2.94Å; D7-S10 PolarHBondContact O-N 2.99Å; V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 2.96Å; S10-V12 PolarHBondContact O-N 2.91Å; S10-K13 PolarHBondContact O-N 3.4Å; S10-F14 WeakPolarHBondContact O-CB 3.21Å; S10-F14 PolarHBondContact O-N 3.01Å
11	A	54.5	Low	51.8	Low	63 Å²	63	103.6 Å²	103.6	52%	0.521	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-39.3	176.1	0	0	0	0	0	112.5	D7 V8 F14 G15	D7-A11 WeakPolarHBondContact O-CB 3.39Å; D7-A11 PolarHBondContact O-N 3.46Å; V8-A11 PolarHBondContact O-N 3.34Å; A11-F14 PolarHBondContact O-N 3.43Å; A11-G15 PolarHBondContact O-N 3.43Å
12	V	54.1	Low	51.9	Low	84 Å²	84	99 Å²	99	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-66.5	-43.2	175	171.4	0	0	0	0	111.2	V8 S10 G15 F16	V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CB 3.46Å; V8-V12 VanDerWaalsContact O-CG2 3.25Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 3.34Å; S10-V12 PolarHBondContact O-N 2.91Å; V12-G15 PolarHBondContact O-N 3.49Å; V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.38Å; V12-F16 PolarHBondContact O-N 3.08Å
13	K	54.9	Low	51.9	Low	145 Å²	145	96 Å²	96	63%	0.63	52%	0.523	S	S	*	.	H	α-helix	trans	-62.4	-41.7	174.4	-103.4	-177.5	174	178.7	0	112.4	V9 S10 F16 N17	V9-K13 WeakPolarHBondContact O-CB 3.3Å; V9-K13 PolarHBondContact O-N 3.12Å; S10-K13 PolarHBondContact O-N 3.4Å; K13-F16 PolarHBondContact O-N 3.3Å; K13-N17 WeakPolarHBondContact O-CB 3.24Å; K13-N17 PolarHBondContact O-N 3.49Å
14	F	59.4	Low	52.2	Low	146 Å²	146	101.9 Å²	101.9	64%	0.64	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-45.7	177.3	-175.3	-99.7	0	0	0	111.3	S10 A11 F16 N17 L18	S10-F14 WeakPolarHBondContact O-CB 3.21Å; S10-F14 PolarHBondContact O-N 3.01Å; A11-F14 PolarHBondContact O-N 3.43Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.49Å; F14-N17 PolarHBondContact O-N 3.13Å; F14-L18 WeakPolarHBondContact O-CB 3.34Å; F14-L18 PolarHBondContact O-N 2.96Å
15	G	55.1	Low	52.5	Low	35 Å²	35	102.5 Å²	102.5	36%	0.361	54%	0.537	S	S	.	.	H	α-helix	trans	-61.3	-38.1	174.1	0	0	0	0	0	113.1	A11 V12 Y19	A11-G15 PolarHBondContact O-N 3.43Å; V12-G15 PolarHBondContact O-N 3.49Å; G15-Y19 WeakPolarHBondContact O-CB 3.47Å; G15-Y19 PolarHBondContact O-N 3.33Å
16	F	54.3	Low	52.7	Low	125 Å²	125	106 Å²	106	55%	0.548	54%	0.541	S	S	.	.	H	α-helix	trans	-70.9	-38.3	178	-160.5	-92.3	0	0	0	113	V12 K13 F14 Y19 I20	V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.38Å; V12-F16 PolarHBondContact O-N 3.08Å; K13-F16 PolarHBondContact O-N 3.3Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.49Å; F16-Y19 WeakPolarHBondContact O-CB 3.44Å; F16-Y19 PolarHBondContact O-N 3.33Å; F16-I20 HydrophobicContact CD1-CG1 4.19Å; F16-I20 HydrophobicContact CE1-CD1 4.3Å; F16-I20 HydrophobicContact CE1-CG1 4.1Å; F16-I20 WeakPolarHBondContact O-CG1 3.43Å; F16-I20 PolarHBondContact O-N 2.65Å
17	N	54.3	Low	53	Low	97 Å²	97	105.8 Å²	105.8	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-40.9	174.9	-74.2	-18.5	0	0	0	111.6	K13 F14 Y19 I20 D21	K13-N17 WeakPolarHBondContact O-CB 3.24Å; K13-N17 PolarHBondContact O-N 3.49Å; F14-N17 PolarHBondContact O-N 3.13Å; N17-Y19 PolarHBondContact O-N 3.39Å; N17-I20 PolarHBondContact O-N 3.39Å; N17-D21 PolarHBondContact O-N 3.02Å
18	L	49.8	Very low	52.9	Low	92 Å²	92	108.1 Å²	108.1	48%	0.482	55%	0.546	S	S	.	.	H	α-helix	trans	-61.2	-36.4	172.8	-155.9	79.9	0	0	0	111.2	F14 D21 L22	F14-L18 WeakPolarHBondContact O-CB 3.34Å; F14-L18 PolarHBondContact O-N 2.96Å; L18-D21 PolarHBondContact O-N 3.14Å; L18-L22 HydrophobicContact CG-CD1 4.32Å; L18-L22 WeakPolarHBondContact O-CB 3.23Å; L18-L22 WeakPolarHBondContact O-CD1 3.44Å; L18-L22 PolarHBondContact O-N 3.12Å
19	Y	45.8	Very low	52.8	Low	66 Å²	66	107.7 Å²	107.7	26%	0.259	55%	0.547	S	S	.	.	H	α-helix	trans	-65.7	-42.5	174.1	177.6	-99.9	0	0	0	112.5	G15 F16 N17 L22 L23	G15-Y19 WeakPolarHBondContact O-CB 3.47Å; G15-Y19 PolarHBondContact O-N 3.33Å; F16-Y19 WeakPolarHBondContact O-CB 3.44Å; F16-Y19 PolarHBondContact O-N 3.33Å; N17-Y19 PolarHBondContact O-N 3.39Å; Y19-L22 PolarHBondContact O-N 3.25Å; Y19-L23 HydrophobicContact CD1-CD1 3.73Å; Y19-L23 HydrophobicContact CD1-CG 4.43Å; Y19-L23 HydrophobicContact CE1-CD1 3.47Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.47Å; Y19-L23 HydrophobicContact CE1-CG 4.25Å; Y19-L23 HydrophobicContact CG-CD1 4.5Å; Y19-L23 WeakPolarHBondContact O-CB 3.47Å; Y19-L23 WeakPolarHBondContact O-CG 3.23Å; Y19-L23 PolarHBondContact O-N 2.99Å
20	I	53.2	Low	52.5	Low	82 Å²	82	105.5 Å²	105.5	42%	0.421	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-37.8	174.9	-69.1	-78	0	0	0	111.8	F16 N17 L23	F16-I20 HydrophobicContact CD1-CG1 4.19Å; F16-I20 HydrophobicContact CE1-CD1 4.3Å; F16-I20 HydrophobicContact CE1-CG1 4.1Å; F16-I20 WeakPolarHBondContact O-CG1 3.43Å; F16-I20 PolarHBondContact O-N 2.65Å; N17-I20 PolarHBondContact O-N 3.39Å; I20-L23 HydrophobicContact CD1-CD1 4.21Å; I20-L23 WeakPolarHBondContact O-CB 3.44Å; I20-L23 PolarHBondContact O-N 3.38Å
21	D	54.5	Low	52	Low	103 Å²	103	104.7 Å²	104.7	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-72.7	-33.8	176.9	-74.1	-27.4	0	0	0	112.2	N17 L18 L23	N17-D21 PolarHBondContact O-N 3.02Å; L18-D21 PolarHBondContact O-N 3.14Å; D21-L23 VanDerWaalsContact C-N 3.34Å
22	L	47.3	Very low	52.2	Low	107 Å²	107	104 Å²	104	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-71.2	-25.1	172.6	-89.5	153	0	0	0	113.5	L18 Y19 R24	L18-L22 HydrophobicContact CG-CD1 4.32Å; L18-L22 WeakPolarHBondContact O-CB 3.23Å; L18-L22 WeakPolarHBondContact O-CD1 3.44Å; L18-L22 PolarHBondContact O-N 3.12Å; Y19-L22 PolarHBondContact O-N 3.25Å; L22-R24 PolarHBondContact O-N 3.39Å
23	L	47.9	Very low	52.5	Low	66 Å²	66	104.8 Å²	104.8	35%	0.346	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.7	177.5	-82.1	170.3	0	0	0	114	Y19 I20 D21 D25 L31	Y19-L23 HydrophobicContact CD1-CD1 3.73Å; Y19-L23 HydrophobicContact CD1-CG 4.43Å; Y19-L23 HydrophobicContact CE1-CD1 3.47Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.47Å; Y19-L23 HydrophobicContact CE1-CG 4.25Å; Y19-L23 HydrophobicContact CG-CD1 4.5Å; Y19-L23 WeakPolarHBondContact O-CB 3.47Å; Y19-L23 WeakPolarHBondContact O-CG 3.23Å; Y19-L23 PolarHBondContact O-N 2.99Å; I20-L23 HydrophobicContact CD1-CD1 4.21Å; I20-L23 WeakPolarHBondContact O-CB 3.44Å; I20-L23 PolarHBondContact O-N 3.38Å; D21-L23 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 3.47Å; L23-L31 HydrophobicContact CD2-CD1 3.09Å; L23-L31 HydrophobicContact CD2-CD2 4.4Å; L23-L31 HydrophobicContact CD2-CG 3.5Å
24	R	52.9	Low	52.5	Low	207 Å²	207	100.7 Å²	100.7	78%	0.781	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.7	-175.3	-102.3	176.9	166	171.5	-4.5	114.9	L22	L22-R24 PolarHBondContact O-N 3.39Å
25	D	50.1	Low	52.7	Low	140 Å²	140	97.2 Å²	97.2	75%	0.749	50%	0.495	S	S	*	.	S	Bend	trans	-129	-0.4	-166.7	-79.2	-32.9	0	0	0	116.6	L23	L23-D25 PolarHBondContact O-N 3.47Å
26	W	45.4	Very low	53.1	Low	197 Å²	197	98.4 Å²	98.4	75%	0.746	49%	0.492	S	S	*	.			trans	-135.2	144.6	-165.8	-74.8	62.9	0	0	0	116.9	A30	W26-A30 HydrophobicContact CB-CB 4.2Å; W26-A30 HydrophobicContact CE3-CB 4.19Å
27	D	55.6	Low	53.5	Low	117 Å²	117	94.6 Å²	94.6	63%	0.626	48%	0.484	S	S	*	.			trans	-50.3	141.9	179	-170.8	20.8	0	0	0	113.5	S29 A30	D27-S29 PolarHBondContact O-N 3.38Å; D27-S29 PolarHBondContact OD2-OG 2.89Å; D27-A30 WeakPolarHBondContact O-CB 3.47Å; D27-A30 PolarHBondContact O-N 3.37Å
28	F	51.3	Low	53.9	Low	159 Å²	159	94.7 Å²	94.7	70%	0.697	48%	0.48	S	S	*	.	H	α-helix	trans	-49.6	-29.4	-173.1	-172.2	-98.1	0	0	0	113.4	A30 L31 V32	F28-A30 PolarHBondContact O-N 2.99Å; F28-L31 WeakPolarHBondContact O-CB 3.38Å; F28-L31 PolarHBondContact O-N 3.07Å; F28-V32 HydrophobicContact CD1-CG2 4.31Å; F28-V32 HydrophobicContact CE1-CG2 4.08Å; F28-V32 PolarHBondContact O-N 3.41Å
29	S	50	Low	54.4	Low	71 Å²	71	91.9 Å²	91.9	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-49.7	-47.9	170.2	-40.3	0	0	0	0	113.8	D27 V33	D27-S29 PolarHBondContact O-N 3.38Å; D27-S29 PolarHBondContact OD2-OG 2.89Å; S29-V33 WeakPolarHBondContact O-CG2 3.48Å; S29-V33 PolarHBondContact O-N 2.95Å
30	A	50.5	Low	55	Low	36 Å²	36	93.6 Å²	93.6	30%	0.298	48%	0.478	S	S	.	.	H	α-helix	trans	-71.8	-32.7	-176.7	0	0	0	0	0	111.9	W26 D27 F28 V33 S34	W26-A30 HydrophobicContact CB-CB 4.2Å; W26-A30 HydrophobicContact CE3-CB 4.19Å; D27-A30 WeakPolarHBondContact O-CB 3.47Å; D27-A30 PolarHBondContact O-N 3.37Å; F28-A30 PolarHBondContact O-N 2.99Å; A30-V33 PolarHBondContact O-N 3.41Å; A30-S34 VanDerWaalsContact O-CB 3.29Å; A30-S34 WeakPolarHBondContact O-CB 3.49Å; A30-S34 PolarHBondContact O-N 3.03Å
31	L	52.1	Low	55.3	Low	61 Å²	61	94.1 Å²	94.1	32%	0.319	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-43.9	179	-154.3	158.8	0	0	0	111.2	L23 F28 F35	L23-L31 HydrophobicContact CD2-CD1 3.09Å; L23-L31 HydrophobicContact CD2-CD2 4.4Å; L23-L31 HydrophobicContact CD2-CG 3.5Å; F28-L31 WeakPolarHBondContact O-CB 3.38Å; F28-L31 PolarHBondContact O-N 3.07Å; L31-F35 VanDerWaalsContact O-CB 3.26Å; L31-F35 WeakPolarHBondContact O-CB 3.28Å; L31-F35 PolarHBondContact O-N 3.14Å
32	V	56.9	Low	55.3	Low	47 Å²	47	90.9 Å²	90.9	29%	0.285	46%	0.463	S	S	.	.	H	α-helix	trans	-65.9	-43	175.5	176.5	0	0	0	0	111.3	F28 F35 I36	F28-V32 HydrophobicContact CD1-CG2 4.31Å; F28-V32 HydrophobicContact CE1-CG2 4.08Å; F28-V32 PolarHBondContact O-N 3.41Å; V32-F35 PolarHBondContact O-N 3.21Å; V32-I36 HydrophobicContact CG1-CD1 3.74Å; V32-I36 HydrophobicContact CG1-CG1 4.45Å; V32-I36 WeakPolarHBondContact O-CB 3.33Å; V32-I36 WeakPolarHBondContact O-CD1 3.49Å; V32-I36 WeakPolarHBondContact O-CG1 3.46Å; V32-I36 PolarHBondContact O-N 3.21Å
33	V	60.4	Low	55.6	Low	101 Å²	101	88.9 Å²	88.9	61%	0.612	46%	0.458	S	S	*	.	H	α-helix	trans	-65.5	-44.1	179.5	172.4	0	0	0	0	111.5	S29 A30 I36 A37	S29-V33 WeakPolarHBondContact O-CG2 3.48Å; S29-V33 PolarHBondContact O-N 2.95Å; A30-V33 PolarHBondContact O-N 3.41Å; V33-I36 PolarHBondContact O-N 3.09Å; V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 3.2Å
34	S	56.6	Low	55.9	Low	60 Å²	60	90 Å²	90	42%	0.42	47%	0.471	S	S	.	.	H	α-helix	trans	-67.6	-38.2	179.5	-154.8	0	0	0	0	111.8	A30 A37 F38	A30-S34 VanDerWaalsContact O-CB 3.29Å; A30-S34 WeakPolarHBondContact O-CB 3.49Å; A30-S34 PolarHBondContact O-N 3.03Å; S34-A37 PolarHBondContact O-N 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.32Å; S34-F38 PolarHBondContact O-N 2.79Å
35	F	63.7	Low	56	Low	72 Å²	72	86.4 Å²	86.4	32%	0.316	46%	0.461	S	S	.	.	H	α-helix	trans	-67.5	-40.5	174.5	-172.8	-100.9	0	0	0	112.6	L31 V32 A37 F38 M39	L31-F35 VanDerWaalsContact O-CB 3.26Å; L31-F35 WeakPolarHBondContact O-CB 3.28Å; L31-F35 PolarHBondContact O-N 3.14Å; V32-F35 PolarHBondContact O-N 3.21Å; F35-A37 VanDerWaalsContact C-N 3.35Å; F35-F38 PolarHBondContact O-N 3.02Å; F35-M39 HydrophobicContact CD1-CG 4.21Å; F35-M39 HydrophobicContact CE1-CG 3.86Å; F35-M39 HydrophobicContact CE1-SD 4.47Å; F35-M39 HydrophobicContact CZ-CG 4.05Å; F35-M39 HydrophobicContact CZ-SD 4.14Å; F35-M39 VanDerWaalsContact O-CG 3.31Å; F35-M39 WeakPolarHBondContact O-CG 3.44Å; F35-M39 PolarHBondContact O-N 2.87Å
36	I	62.3	Low	56.1	Low	61 Å²	61	88.7 Å²	88.7	31%	0.313	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-43.1	173.2	-70.3	167	0	0	0	110.6	V32 V33 F38 M39 L40 L60	V32-I36 HydrophobicContact CG1-CD1 3.74Å; V32-I36 HydrophobicContact CG1-CG1 4.45Å; V32-I36 WeakPolarHBondContact O-CB 3.33Å; V32-I36 WeakPolarHBondContact O-CD1 3.49Å; V32-I36 WeakPolarHBondContact O-CG1 3.46Å; V32-I36 PolarHBondContact O-N 3.21Å; V33-I36 PolarHBondContact O-N 3.09Å; I36-F38 VanDerWaalsContact C-N 3.35Å; I36-F38 PolarHBondContact O-N 2.86Å; I36-M39 PolarHBondContact O-N 3.47Å; I36-L40 HydrophobicContact CG2-CD1 3.98Å; I36-L40 HydrophobicContact CG2-CG 4.43Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 2.68Å; I36-L60 HydrophobicContact CD1-CD2 4.23Å; I36-L60 HydrophobicContact CG1-CD2 4.29Å
37	A	62.2	Low	56.2	Low	44 Å²	44	85.1 Å²	85.1	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-61.7	-42.2	175.7	0	0	0	0	0	111.9	V33 S34 F35 L40 I41	V33-A37 WeakPolarHBondContact O-CB 3.45Å; V33-A37 PolarHBondContact O-N 3.2Å; S34-A37 PolarHBondContact O-N 3.29Å; F35-A37 VanDerWaalsContact C-N 3.35Å; A37-L40 PolarHBondContact O-N 3.11Å; A37-I41 VanDerWaalsContact O-CG1 3.26Å; A37-I41 WeakPolarHBondContact O-CG1 3.4Å; A37-I41 PolarHBondContact O-N 2.76Å
38	F	64	Low	55.9	Low	100 Å²	100	82.5 Å²	82.5	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.2	-179	-109.7	0	0	0	112.3	S34 F35 I36 I41 L42	S34-F38 WeakPolarHBondContact O-CB 3.32Å; S34-F38 PolarHBondContact O-N 2.79Å; F35-F38 PolarHBondContact O-N 3.02Å; I36-F38 VanDerWaalsContact C-N 3.35Å; I36-F38 PolarHBondContact O-N 2.86Å; F38-I41 PolarHBondContact O-N 3.04Å; F38-L42 HydrophobicContact CD1-CD1 3.67Å; F38-L42 HydrophobicContact CE1-CD1 3.28Å; F38-L42 HydrophobicContact CE1-CG 4.26Å; F38-L42 HydrophobicContact CE2-CD1 4.33Å; F38-L42 HydrophobicContact CG-CD1 4.36Å; F38-L42 HydrophobicContact CZ-CD1 3.65Å; F38-L42 HydrophobicContact CZ-CD2 4.48Å; F38-L42 HydrophobicContact CZ-CG 4.23Å; F38-L42 WeakPolarHBondContact O-CG 3.46Å; F38-L42 PolarHBondContact O-N 3.01Å
39	M	59	Low	56	Low	33 Å²	33	79.5 Å²	79.5	16%	0.163	44%	0.436	C	S	.	.	H	α-helix	trans	-67.7	-35.9	177	-67.2	-65.2	-82.8	0	0	112.4	F35 I36 L42 S43 F48 F56	F35-M39 HydrophobicContact CD1-CG 4.21Å; F35-M39 HydrophobicContact CE1-CG 3.86Å; F35-M39 HydrophobicContact CE1-SD 4.47Å; F35-M39 HydrophobicContact CZ-CG 4.05Å; F35-M39 HydrophobicContact CZ-SD 4.14Å; F35-M39 VanDerWaalsContact O-CG 3.31Å; F35-M39 WeakPolarHBondContact O-CG 3.44Å; F35-M39 PolarHBondContact O-N 2.87Å; I36-M39 PolarHBondContact O-N 3.47Å; M39-L42 PolarHBondContact O-N 3.45Å; M39-L42 HydrophobicContact SD-CD1 4.09Å; M39-S43 WeakPolarHBondContact O-CB 3.07Å; M39-S43 PolarHBondContact O-N 3.34Å; M39-F48 HydrophobicContact CE-CE1 4.06Å; M39-F48 HydrophobicContact CE-CZ 4.44Å; M39-F56 HydrophobicContact CE-CB 4.43Å; M39-F56 HydrophobicContact CE-CD2 3.82Å; M39-F56 HydrophobicContact CE-CE2 4.26Å; M39-F56 HydrophobicContact CE-CG 4.12Å
40	L	58.9	Low	56.3	Low	101 Å²	101	78.6 Å²	78.6	53%	0.529	44%	0.438	S	S	.	.	H	α-helix	trans	-63.9	-42.2	172.7	-74.6	168.6	0	0	0	111.6	I36 A37 S43 S44	I36-L40 HydrophobicContact CG2-CD1 3.98Å; I36-L40 HydrophobicContact CG2-CG 4.43Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 2.68Å; A37-L40 PolarHBondContact O-N 3.11Å; L40-S43 WeakPolarHBondContact CA-OG 3.48Å; L40-S43 PolarHBondContact O-N 3.08Å; L40-S43 PolarHBondContact O-OG 3.35Å; L40-S44 PolarHBondContact O-N 3.29Å
41	I	60.7	Low	56.6	Low	93 Å²	93	84.5 Å²	84.5	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-47.2	173.8	-69.5	165	0	0	0	110.1	A37 F38 S43 S44 F45	A37-I41 VanDerWaalsContact O-CG1 3.26Å; A37-I41 WeakPolarHBondContact O-CG1 3.4Å; A37-I41 PolarHBondContact O-N 2.76Å; F38-I41 PolarHBondContact O-N 3.04Å; I41-S43 VanDerWaalsContact C-N 3.3Å; I41-S43 PolarHBondContact O-N 2.82Å; I41-S44 WeakPolarHBondContact O-CB 3.43Å; I41-S44 PolarHBondContact O-N 3.36Å; I41-S44 PolarHBondContact O-OG 2.92Å; I41-F45 HydrophobicContact CG2-CD2 4.19Å; I41-F45 HydrophobicContact CG2-CE2 3.69Å; I41-F45 WeakPolarHBondContact O-CD2 3.48Å
42	L	53.7	Low	56.9	Low	35 Å²	35	86 Å²	86	18%	0.183	47%	0.465	C	S	.	.	H	α-helix	trans	-61.4	-36.8	177.3	-74.1	169.5	0	0	0	113.1	F38 M39 S44 F45 F48	F38-L42 HydrophobicContact CD1-CD1 3.67Å; F38-L42 HydrophobicContact CE1-CD1 3.28Å; F38-L42 HydrophobicContact CE1-CG 4.26Å; F38-L42 HydrophobicContact CE2-CD1 4.33Å; F38-L42 HydrophobicContact CG-CD1 4.36Å; F38-L42 HydrophobicContact CZ-CD1 3.65Å; F38-L42 HydrophobicContact CZ-CD2 4.48Å; F38-L42 HydrophobicContact CZ-CG 4.23Å; F38-L42 WeakPolarHBondContact O-CG 3.46Å; F38-L42 PolarHBondContact O-N 3.01Å; M39-L42 PolarHBondContact O-N 3.45Å; M39-L42 HydrophobicContact SD-CD1 4.09Å; L42-S44 PolarHBondContact O-N 3.43Å; L42-F45 PolarHBondContact O-N 3.23Å; L42-F48 HydrophobicContact CB-CD2 3.75Å; L42-F48 HydrophobicContact CB-CE2 3.84Å; L42-F48 HydrophobicContact CD1-CD2 4.44Å; L42-F48 HydrophobicContact CD1-CE2 3.67Å; L42-F48 HydrophobicContact CD1-CZ 4.17Å; L42-F48 HydrophobicContact CD2-CE2 4.2Å; L42-F48 HydrophobicContact CG-CD2 4.49Å; L42-F48 HydrophobicContact CG-CE2 4.12Å
43	S	53.1	Low	57	Low	65 Å²	65	84.6 Å²	84.6	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-25.4	174.7	74.2	0	0	0	0	113.3	M39 L40 I41 F45	M39-S43 WeakPolarHBondContact O-CB 3.07Å; M39-S43 PolarHBondContact O-N 3.34Å; L40-S43 WeakPolarHBondContact CA-OG 3.48Å; L40-S43 PolarHBondContact O-N 3.08Å; L40-S43 PolarHBondContact O-OG 3.35Å; I41-S43 VanDerWaalsContact C-N 3.3Å; I41-S43 PolarHBondContact O-N 2.82Å; S43-F45 VanDerWaalsContact C-N 3.29Å; S43-F45 PolarHBondContact O-N 2.96Å
44	S	55.4	Low	57.1	Low	89 Å²	89	81.3 Å²	81.3	62%	0.622	44%	0.44	S	S	*	.	H	α-helix	trans	-77	-12.1	176.5	72.1	0	0	0	0	114.2	L40 I41 L42	L40-S44 PolarHBondContact O-N 3.29Å; I41-S44 WeakPolarHBondContact O-CB 3.43Å; I41-S44 PolarHBondContact O-N 3.36Å; I41-S44 PolarHBondContact O-OG 2.92Å; L42-S44 PolarHBondContact O-N 3.43Å
45	F	53.5	Low	57.5	Low	133 Å²	133	85.9 Å²	85.9	58%	0.583	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.9	178.7	-76.1	-73.1	0	0	0	114.2	I41 L42 S43 I47	I41-F45 HydrophobicContact CG2-CD2 4.19Å; I41-F45 HydrophobicContact CG2-CE2 3.69Å; I41-F45 WeakPolarHBondContact O-CD2 3.48Å; L42-F45 PolarHBondContact O-N 3.23Å; S43-F45 VanDerWaalsContact C-N 3.29Å; S43-F45 PolarHBondContact O-N 2.96Å; F45-I47 HydrophobicContact CB-CD1 3.81Å; F45-I47 HydrophobicContact CB-CG1 4.09Å; F45-I47 WeakPolarHBondContact O-CG1 3.28Å; F45-I47 PolarHBondContact O-N 3.18Å
46	E	52.4	Low	57.7	Low	187 Å²	187	86.5 Å²	86.5	87%	0.874	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	5.1	-173.8	-63.9	-174.9	164	0	0	115	F48	E46-F48 PolarHBondContact O-N 3.42Å
47	I	47.2	Very low	58	Low	123 Å²	123	87.2 Å²	87.2	63%	0.631	46%	0.456	S	S	*	.			trans	-75.3	-14.5	-179.9	-65.2	165.3	0	0	0	111.5	F45	F45-I47 HydrophobicContact CB-CD1 3.81Å; F45-I47 HydrophobicContact CB-CG1 4.09Å; F45-I47 WeakPolarHBondContact O-CG1 3.28Å; F45-I47 PolarHBondContact O-N 3.18Å
48	F	49.5	Very low	58.3	Low	62 Å²	62	88.7 Å²	88.7	27%	0.272	46%	0.457	S	S	.	.	S	Bend	trans	-108	112.9	178.8	-94.4	-99.3	0	0	0	111.9	M39 L42 E46 G50 L52	M39-F48 HydrophobicContact CE-CE1 4.06Å; M39-F48 HydrophobicContact CE-CZ 4.44Å; L42-F48 HydrophobicContact CB-CD2 3.75Å; L42-F48 HydrophobicContact CB-CE2 3.84Å; L42-F48 HydrophobicContact CD1-CD2 4.44Å; L42-F48 HydrophobicContact CD1-CE2 3.67Å; L42-F48 HydrophobicContact CD1-CZ 4.17Å; L42-F48 HydrophobicContact CD2-CE2 4.2Å; L42-F48 HydrophobicContact CG-CD2 4.49Å; L42-F48 HydrophobicContact CG-CE2 4.12Å; E46-F48 PolarHBondContact O-N 3.42Å; F48-G50 PolarHBondContact O-N 3.25Å; F48-L52 HydrophobicContact CD1-CB 4.09Å; F48-L52 HydrophobicContact CE1-CB 4.43Å; F48-L52 HydrophobicContact CE1-CD2 4.44Å
49	D	54.5	Low	58.7	Low	95 Å²	95	85.9 Å²	85.9	51%	0.508	46%	0.456	S	S	.	.			trans	-55.8	130.9	165	-179.6	-7.5	0	0	0	109.2	K51 L52 A53	D49-K51 PolarHBondContact O-N 3.04Å; D49-K51 PolarHBondContact OD1-N 3.02Å; D49-K51 VanDerWaalsContact OD1-N 3.09Å; D49-L52 PolarHBondContact O-N 2.93Å; D49-A53 PolarHBondContact O-N 2.9Å
50	G	55.9	Low	59.3	Low	52 Å²	52	86.4 Å²	86.4	54%	0.536	46%	0.459	S	S	.	.	H	α-helix	trans	-53	-22.6	179.1	0	0	0	0	0	113.8	F48 S54	F48-G50 PolarHBondContact O-N 3.25Å; G50-S54 WeakPolarHBondContact O-CB 3.35Å; G50-S54 PolarHBondContact O-N 2.72Å
51	K	56.8	Low	59.9	Low	161 Å²	161	83.6 Å²	83.6	70%	0.7	44%	0.442	S	S	*	.	H	α-helix	trans	-64.3	-43	172.6	-69.4	178.3	-176.8	166.8	0	113.5	D49 S54 F55	D49-K51 PolarHBondContact O-N 3.04Å; D49-K51 PolarHBondContact OD1-N 3.02Å; D49-K51 VanDerWaalsContact OD1-N 3.09Å; K51-S54 PolarHBondContact O-N 3Å; K51-F55 PolarHBondContact O-N 2.88Å
52	L	58.8	Low	60.6	Low	91 Å²	91	87.1 Å²	87.1	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-68.3	-44.4	178.5	-102.2	126	0	0	0	110.6	F48 D49 S54 F55 F56	F48-L52 HydrophobicContact CD1-CB 4.09Å; F48-L52 HydrophobicContact CE1-CB 4.43Å; F48-L52 HydrophobicContact CE1-CD2 4.44Å; D49-L52 PolarHBondContact O-N 2.93Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.14Å; L52-F55 PolarHBondContact O-N 3.21Å; L52-F56 HydrophobicContact CD2-CD2 4.49Å; L52-F56 HydrophobicContact CD2-CE2 3.85Å; L52-F56 WeakPolarHBondContact O-CD2 3.44Å; L52-F56 PolarHBondContact O-N 3.46Å
53	A	59.6	Low	61.9	Low	18 Å²	18	88.2 Å²	88.2	15%	0.149	46%	0.462	C	S	.	.	H	α-helix	trans	-56.9	-48.3	174.1	0	0	0	0	0	111.1	D49 F55 F56 F57	D49-A53 PolarHBondContact O-N 2.9Å; A53-F55 PolarHBondContact O-N 3.28Å; A53-F56 PolarHBondContact O-N 3.25Å; A53-F57 VanDerWaalsContact O-CD2 3.22Å; A53-F57 WeakPolarHBondContact O-CD2 3.31Å; A53-F57 PolarHBondContact O-N 3.49Å
54	S	61	Low	63.1	Low	33 Å²	33	90.5 Å²	90.5	23%	0.231	48%	0.475	C	S	.	.	H	α-helix	trans	-57.8	-45.8	176.6	175.2	0	0	0	0	112.5	G50 K51 L52 F56 F57 I58	G50-S54 WeakPolarHBondContact O-CB 3.35Å; G50-S54 PolarHBondContact O-N 2.72Å; K51-S54 PolarHBondContact O-N 3Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.14Å; S54-F56 PolarHBondContact O-N 3.34Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-I58 WeakPolarHBondContact O-CB 3.5Å; S54-I58 WeakPolarHBondContact O-CD1 3.19Å; S54-I58 VanDerWaalsContact O-CG1 3.23Å; S54-I58 WeakPolarHBondContact O-CG1 3.29Å; S54-I58 PolarHBondContact O-N 3.05Å
55	F	66.3	Low	64.3	Low	156 Å²	156	94.4 Å²	94.4	68%	0.684	48%	0.481	S	S	*	.	H	α-helix	trans	-58.9	-45.2	177.4	-175.8	-95.4	0	0	0	112.3	K51 L52 A53 I58 G59	K51-F55 PolarHBondContact O-N 2.88Å; L52-F55 PolarHBondContact O-N 3.21Å; A53-F55 PolarHBondContact O-N 3.28Å; F55-I58 PolarHBondContact O-N 2.87Å; F55-G59 PolarHBondContact O-N 3.47Å
56	F	66.4	Low	65.3	Low	85 Å²	85	89.7 Å²	89.7	37%	0.373	46%	0.462	S	S	.	.	H	α-helix	trans	-64.6	-44	176.1	-81.6	-70	0	0	0	112.5	M39 L52 A53 S54 I58 G59 L60	M39-F56 HydrophobicContact CE-CB 4.43Å; M39-F56 HydrophobicContact CE-CD2 3.82Å; M39-F56 HydrophobicContact CE-CE2 4.26Å; M39-F56 HydrophobicContact CE-CG 4.12Å; L52-F56 HydrophobicContact CD2-CD2 4.49Å; L52-F56 HydrophobicContact CD2-CE2 3.85Å; L52-F56 WeakPolarHBondContact O-CD2 3.44Å; L52-F56 PolarHBondContact O-N 3.46Å; A53-F56 PolarHBondContact O-N 3.25Å; S54-F56 PolarHBondContact O-N 3.34Å; F56-I58 VanDerWaalsContact C-N 3.35Å; F56-I58 PolarHBondContact O-N 3.26Å; F56-G59 WeakPolarHBondContact O-CA 3.38Å; F56-G59 PolarHBondContact O-N 3.19Å; F56-G59 VanDerWaalsContact O-N 3.15Å; F56-L60 PolarHBondContact O-N 2.9Å
57	F	69.2	Low	66.6	Low	75 Å²	75	87.8 Å²	87.8	33%	0.329	45%	0.447	S	S	.	.	H	α-helix	trans	-62.1	-41.1	177.4	-89.1	-73.5	0	0	0	112.1	A53 S54 G59 L60 R61 P520 D521	A53-F57 VanDerWaalsContact O-CD2 3.22Å; A53-F57 WeakPolarHBondContact O-CD2 3.31Å; A53-F57 PolarHBondContact O-N 3.49Å; S54-F57 PolarHBondContact O-N 2.89Å; F57-G59 VanDerWaalsContact C-N 3.3Å; F57-G59 PolarHBondContact O-N 3.42Å; F57-L60 PolarHBondContact O-N 3.35Å; F57-R61 VanDerWaalsContact O-CB 3.28Å; F57-R61 WeakPolarHBondContact O-CB 3.43Å; F57-R61 PolarHBondContact O-N 3.42Å; F57-P520 HydrophobicContact CD2-CB 4.03Å; F57-P520 HydrophobicContact CD2-CG 4.24Å; F57-P520 HydrophobicContact CE2-CB 4.13Å; F57-P520 HydrophobicContact CE2-CG 3.86Å; F57-P520 HydrophobicContact CZ-CG 4.37Å; F57-D521 HydrophobicContact CB-CB 4.24Å
58	I	69.3	Low	68.3	Low	75 Å²	75	85.8 Å²	85.8	39%	0.385	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-40.1	174.4	-68.6	164.7	0	0	0	110.7	S54 F55 F56	S54-I58 WeakPolarHBondContact O-CB 3.5Å; S54-I58 WeakPolarHBondContact O-CD1 3.19Å; S54-I58 VanDerWaalsContact O-CG1 3.23Å; S54-I58 WeakPolarHBondContact O-CG1 3.29Å; S54-I58 PolarHBondContact O-N 3.05Å; F55-I58 PolarHBondContact O-N 2.87Å; F56-I58 VanDerWaalsContact C-N 3.35Å; F56-I58 PolarHBondContact O-N 3.26Å
59	G	70.7	Confident	69.7	Low	41 Å²	41	89.2 Å²	89.2	42%	0.423	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-50.3	173.4	0	0	0	0	0	112.8	F55 F56 F57 R61 K62	F55-G59 PolarHBondContact O-N 3.47Å; F56-G59 WeakPolarHBondContact O-CA 3.38Å; F56-G59 PolarHBondContact O-N 3.19Å; F56-G59 VanDerWaalsContact O-N 3.15Å; F57-G59 VanDerWaalsContact C-N 3.3Å; F57-G59 PolarHBondContact O-N 3.42Å; G59-R61 VanDerWaalsContact C-N 3.25Å; G59-R61 PolarHBondContact O-N 2.95Å; G59-K62 WeakPolarHBondContact O-CB 3.26Å; G59-K62 PolarHBondContact O-N 3.49Å; G59-K62 VanDerWaalsContact O-N 3.08Å
60	L	72.1	Confident	70.9	Confident	44 Å²	44	86.1 Å²	86.1	23%	0.23	44%	0.439	C	S	.	.	H	α-helix	trans	-56.8	-40.9	177	-118.6	90.6	0	0	0	111.4	I36 F56 F57 K62 T63 I66	I36-L60 HydrophobicContact CD1-CD2 4.23Å; I36-L60 HydrophobicContact CG1-CD2 4.29Å; F56-L60 PolarHBondContact O-N 2.9Å; F57-L60 PolarHBondContact O-N 3.35Å; L60-K62 PolarHBondContact O-N 3.28Å; L60-T63 WeakPolarHBondContact O-CB 3.41Å; L60-T63 WeakPolarHBondContact O-CG2 3.45Å; L60-T63 PolarHBondContact O-N 2.96Å; L60-T63 PolarHBondContact O-OG1 2.85Å; L60-I66 HydrophobicContact CB-CD1 4.1Å; L60-I66 HydrophobicContact CD2-CD1 3.46Å; L60-I66 VanDerWaalsContact CD2-CD1 3.46Å; L60-I66 HydrophobicContact CG-CD1 3.64Å
61	R	71	Confident	72.3	Confident	42 Å²	42	87 Å²	87	16%	0.158	43%	0.431	C	S	.	.	H	α-helix	trans	-61.7	-22.7	179.2	-175.9	170.8	-173.7	-155.3	-6.6	113.4	F57 G59 T63 R67 I70 S523 E527	F57-R61 VanDerWaalsContact O-CB 3.28Å; F57-R61 WeakPolarHBondContact O-CB 3.43Å; F57-R61 PolarHBondContact O-N 3.42Å; G59-R61 VanDerWaalsContact C-N 3.25Å; G59-R61 PolarHBondContact O-N 2.95Å; R61-T63 VanDerWaalsContact C-N 3.31Å; R61-R67 WeakPolarHBondContact O-CB 3.46Å; R61-I70 HydrophobicContact CB-CD1 4.31Å; R61-I70 HydrophobicContact CG-CD1 3.95Å; R61-S523 PolarHBondContact NH1-OG 3.01Å; R61-E527 IonicContact CZ-OE1 2.78Å; R61-E527 IonicContact CZ-OE2 3.15Å; R61-E527 IonicContact NH1-OE1 2.61Å; R61-E527 PolarHBondContact NH1-OE1 2.92Å; R61-E527 IonicContact NH2-OE1 2.74Å; R61-E527 PolarHBondContact NH2-OE1 3.09Å; R61-E527 IonicContact NH2-OE2 2.68Å; R61-E527 PolarHBondContact NH2-OE2 2.5Å
62	K	75.6	Confident	73.7	Confident	167 Å²	167	85.4 Å²	85.4	73%	0.726	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.3	175.2	-68.2	-178.2	179.4	-179.2	0	113.3	G59 L60	G59-K62 WeakPolarHBondContact O-CB 3.26Å; G59-K62 PolarHBondContact O-N 3.49Å; G59-K62 VanDerWaalsContact O-N 3.08Å; L60-K62 PolarHBondContact O-N 3.28Å
63	T	80.8	Confident	74.8	Confident	59 Å²	59	85.4 Å²	85.4	36%	0.362	42%	0.42	S	S	.	.	S	Bend	trans	-66.9	132.7	176.6	67.2	0	0	0	0	109.9	L60 R61 F65 I66 R67	L60-T63 WeakPolarHBondContact O-CB 3.41Å; L60-T63 WeakPolarHBondContact O-CG2 3.45Å; L60-T63 PolarHBondContact O-N 2.96Å; L60-T63 PolarHBondContact O-OG1 2.85Å; R61-T63 VanDerWaalsContact C-N 3.31Å; T63-F65 VanDerWaalsContact C-N 3.3Å; T63-F65 PolarHBondContact O-N 2.92Å; T63-I66 PolarHBondContact O-N 2.98Å; T63-I66 VanDerWaalsContact OG1-CB 3.26Å; T63-I66 WeakPolarHBondContact OG1-CB 3.44Å; T63-I66 WeakPolarHBondContact OG1-CD1 3.29Å; T63-I66 WeakPolarHBondContact OG1-CG1 3.46Å; T63-R67 VanDerWaalsContact O-CB 3.31Å; T63-R67 WeakPolarHBondContact O-CB 3.34Å; T63-R67 PolarHBondContact O-N 3.34Å
64	P	79.1	Confident	76	Confident	112 Å²	112	85.5 Å²	85.5	73%	0.727	42%	0.418	S	S	*	.	H	α-helix	trans	-56.2	-39.3	-171.9	-28.9	35	0	0	0	114.5	S68	P64-S68 VanDerWaalsContact O-CB 3.3Å; P64-S68 WeakPolarHBondContact O-CB 3.22Å; P64-S68 PolarHBondContact O-N 3.07Å
65	F	80	Confident	77.2	Confident	171 Å²	171	87.5 Å²	87.5	75%	0.75	43%	0.426	S	S	*	.	H	α-helix	trans	-67.3	-49.2	-179.8	-177.9	-97.3	0	0	0	112.2	T63 S68 Y69	T63-F65 VanDerWaalsContact C-N 3.3Å; T63-F65 PolarHBondContact O-N 2.92Å; F65-S68 PolarHBondContact O-N 3.2Å; F65-Y69 WeakPolarHBondContact O-CB 3.3Å; F65-Y69 PolarHBondContact O-N 3.49Å
66	I	75.5	Confident	78.2	Confident	34 Å²	34	83.7 Å²	83.7	17%	0.174	41%	0.41	C	S	.	.	H	α-helix	trans	-66.1	-41.4	178.6	-64.5	166.5	0	0	0	110	L60 T63 S68 Y69 I70	L60-I66 HydrophobicContact CB-CD1 4.1Å; L60-I66 HydrophobicContact CD2-CD1 3.46Å; L60-I66 VanDerWaalsContact CD2-CD1 3.46Å; L60-I66 HydrophobicContact CG-CD1 3.64Å; T63-I66 PolarHBondContact O-N 2.98Å; T63-I66 VanDerWaalsContact OG1-CB 3.26Å; T63-I66 WeakPolarHBondContact OG1-CB 3.44Å; T63-I66 WeakPolarHBondContact OG1-CD1 3.29Å; T63-I66 WeakPolarHBondContact OG1-CG1 3.46Å; I66-S68 PolarHBondContact O-N 3.42Å; I66-Y69 PolarHBondContact O-N 3.32Å; I66-I70 HydrophobicContact CG2-CD1 3.57Å; I66-I70 HydrophobicContact CG2-CG1 4.13Å; I66-I70 WeakPolarHBondContact O-CB 3.38Å; I66-I70 VanDerWaalsContact O-CG1 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.72Å
67	R	80	Confident	79	Confident	148 Å²	148	80.8 Å²	80.8	56%	0.558	40%	0.402	S	S	*	.	H	α-helix	trans	-56.9	-49.1	174.7	-169.4	177.6	177.1	-173.8	-2.7	111.7	R61 T63 Y69 I70 N71	R61-R67 WeakPolarHBondContact O-CB 3.46Å; T63-R67 VanDerWaalsContact O-CB 3.31Å; T63-R67 WeakPolarHBondContact O-CB 3.34Å; T63-R67 PolarHBondContact O-N 3.34Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-Y69 PolarHBondContact O-N 2.92Å; R67-I70 PolarHBondContact O-N 2.98Å; R67-N71 VanDerWaalsContact O-CB 3.29Å; R67-N71 WeakPolarHBondContact O-CB 3.35Å; R67-N71 PolarHBondContact O-N 3.49Å; R67-N71 PolarHBondContact O-OD1 2.96Å
68	S	82.7	Confident	79.8	Confident	80 Å²	80	78.7 Å²	78.7	56%	0.559	40%	0.397	S	S	*	.	H	α-helix	trans	-60.9	-43.5	178.3	-175.2	0	0	0	0	111.5	P64 F65 I66 N71 K72	P64-S68 VanDerWaalsContact O-CB 3.3Å; P64-S68 WeakPolarHBondContact O-CB 3.22Å; P64-S68 PolarHBondContact O-N 3.07Å; F65-S68 PolarHBondContact O-N 3.2Å; I66-S68 PolarHBondContact O-N 3.42Å; S68-N71 PolarHBondContact O-N 3.03Å; S68-K72 WeakPolarHBondContact O-CB 3.34Å; S68-K72 PolarHBondContact O-N 2.61Å
69	Y	79	Confident	80.7	Confident	135 Å²	135	80.2 Å²	80.2	53%	0.529	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-47.5	176.6	-177.3	-93.2	0	0	0	112.8	F65 I66 R67 K72 K73	F65-Y69 WeakPolarHBondContact O-CB 3.3Å; F65-Y69 PolarHBondContact O-N 3.49Å; I66-Y69 PolarHBondContact O-N 3.32Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-Y69 PolarHBondContact O-N 2.92Å; Y69-K72 PolarHBondContact O-N 2.92Å; Y69-K73 HydrophobicContact CD1-CG 4.32Å; Y69-K73 HydrophobicContact CE1-CG 3.89Å; Y69-K73 WeakPolarHBondContact O-CG 3.35Å; Y69-K73 PolarHBondContact O-N 3.09Å; Y69-K73 WeakPolarHBondContact OH-CE 3.46Å
70	I	79	Confident	81.5	Confident	29 Å²	29	83.4 Å²	83.4	15%	0.149	41%	0.405	C	S	.	.	H	α-helix	trans	-61.1	-48.1	176.9	-70.2	171.4	0	0	0	110	R61 I66 R67 K72 K73 I74 I524	R61-I70 HydrophobicContact CB-CD1 4.31Å; R61-I70 HydrophobicContact CG-CD1 3.95Å; I66-I70 HydrophobicContact CG2-CD1 3.57Å; I66-I70 HydrophobicContact CG2-CG1 4.13Å; I66-I70 WeakPolarHBondContact O-CB 3.38Å; I66-I70 VanDerWaalsContact O-CG1 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.72Å; R67-I70 PolarHBondContact O-N 2.98Å; I70-K72 VanDerWaalsContact C-N 3.3Å; I70-K72 PolarHBondContact O-N 3.12Å; I70-K73 PolarHBondContact O-N 2.74Å; I70-I74 HydrophobicContact CG2-CD1 3.69Å; I70-I74 HydrophobicContact CG2-CG1 4.23Å; I70-I74 WeakPolarHBondContact O-CG1 3.01Å; I70-I74 PolarHBondContact O-N 2.9Å; I70-I524 HydrophobicContact CG2-CD1 4.47Å
71	N	85.3	Confident	82.2	Confident	70 Å²	70	82.6 Å²	82.6	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-42.1	178.6	-73.3	-3.3	0	0	0	111.7	R67 S68 K73 I74 D75	R67-N71 VanDerWaalsContact O-CB 3.29Å; R67-N71 WeakPolarHBondContact O-CB 3.35Å; R67-N71 PolarHBondContact O-N 3.49Å; R67-N71 PolarHBondContact O-OD1 2.96Å; S68-N71 PolarHBondContact O-N 3.03Å; N71-K73 VanDerWaalsContact C-N 3.33Å; N71-K73 PolarHBondContact O-N 3.45Å; N71-I74 PolarHBondContact O-N 3.31Å; N71-D75 WeakPolarHBondContact O-CB 3.37Å; N71-D75 PolarHBondContact O-N 2.88Å
72	K	86.8	Confident	83.1	Confident	128 Å²	128	83.3 Å²	83.3	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-60.7	-42.3	174.2	-177.6	179.8	177	179.5	0	111.8	S68 Y69 I70 D75 E76	S68-K72 WeakPolarHBondContact O-CB 3.34Å; S68-K72 PolarHBondContact O-N 2.61Å; Y69-K72 PolarHBondContact O-N 2.92Å; I70-K72 VanDerWaalsContact C-N 3.3Å; I70-K72 PolarHBondContact O-N 3.12Å; K72-D75 PolarHBondContact O-N 3.02Å; K72-E76 VanDerWaalsContact CE-OE1 3.28Å; K72-E76 WeakPolarHBondContact CE-OE1 3.31Å; K72-E76 WeakPolarHBondContact O-CG 3.33Å; K72-E76 PolarHBondContact O-N 3.33Å
73	K	81.5	Confident	83.7	Confident	91 Å²	91	83.2 Å²	83.2	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-67.7	-38.7	178	-73.8	-72.6	163.7	-154.4	0	112.8	Y69 I70 N71 E76 A77	Y69-K73 HydrophobicContact CD1-CG 4.32Å; Y69-K73 HydrophobicContact CE1-CG 3.89Å; Y69-K73 WeakPolarHBondContact O-CG 3.35Å; Y69-K73 PolarHBondContact O-N 3.09Å; Y69-K73 WeakPolarHBondContact OH-CE 3.46Å; I70-K73 PolarHBondContact O-N 2.74Å; N71-K73 VanDerWaalsContact C-N 3.33Å; N71-K73 PolarHBondContact O-N 3.45Å; K73-E76 IonicContact NZ-OE1 2.77Å; K73-E76 IonicContact NZ-OE2 2.67Å; K73-E76 PolarHBondContact NZ-OE2 3.1Å; K73-E76 PolarHBondContact O-N 2.94Å; K73-A77 WeakPolarHBondContact O-CB 3.09Å; K73-A77 PolarHBondContact O-N 3.3Å
74	I	83.8	Confident	83.8	Confident	20 Å²	20	85.5 Å²	85.5	10%	0.103	41%	0.407	C	S	.	.	H	α-helix	trans	-65.4	-42	173.8	-67.4	176.2	0	0	0	110.3	I70 N71 A77 S78 I524 E527 L528	I70-I74 HydrophobicContact CG2-CD1 3.69Å; I70-I74 HydrophobicContact CG2-CG1 4.23Å; I70-I74 WeakPolarHBondContact O-CG1 3.01Å; I70-I74 PolarHBondContact O-N 2.9Å; N71-I74 PolarHBondContact O-N 3.31Å; I74-A77 PolarHBondContact O-N 3.38Å; I74-S78 VanDerWaalsContact O-CB 3.23Å; I74-S78 WeakPolarHBondContact O-CB 3.3Å; I74-S78 PolarHBondContact O-N 3.05Å; I74-I524 HydrophobicContact CD1-CG2 4.34Å; I74-I524 HydrophobicContact CG1-CG2 4.46Å; I74-E527 HydrophobicContact CD1-CB 4.28Å; I74-E527 WeakPolarHBondContact CD1-OE2 3.33Å; I74-L528 HydrophobicContact CG2-CD2 4.41Å
75	D	87.6	Confident	84.1	Confident	75 Å²	75	83.5 Å²	83.5	40%	0.401	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-42.5	175.3	-178.4	53.7	0	0	0	112.3	N71 K72 S78 K79	N71-D75 WeakPolarHBondContact O-CB 3.37Å; N71-D75 PolarHBondContact O-N 2.88Å; K72-D75 PolarHBondContact O-N 3.02Å; D75-S78 PolarHBondContact O-N 3.03Å; D75-K79 WeakPolarHBondContact O-CB 3.5Å; D75-K79 WeakPolarHBondContact O-CG 3.36Å; D75-K79 PolarHBondContact O-N 3.23Å; D75-K79 WeakPolarHBondContact OD1-CE 3.42Å; D75-K79 IonicContact OD1-NZ 2.79Å; D75-K79 WeakPolarHBondContact OD2-CE 3.36Å; D75-K79 IonicContact OD2-NZ 3.75Å; D75-K79 PolarHBondContact OD2-NZ 2.68Å
76	E	86.6	Confident	84.5	Confident	76 Å²	76	76 Å²	76	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-58.5	-47.8	172.6	-75.9	170.7	-168.8	0	0	111.7	K72 K73 K79 E80	K72-E76 VanDerWaalsContact CE-OE1 3.28Å; K72-E76 WeakPolarHBondContact CE-OE1 3.31Å; K72-E76 WeakPolarHBondContact O-CG 3.33Å; K72-E76 PolarHBondContact O-N 3.33Å; K73-E76 IonicContact NZ-OE1 2.77Å; K73-E76 IonicContact NZ-OE2 2.67Å; K73-E76 PolarHBondContact NZ-OE2 3.1Å; K73-E76 PolarHBondContact O-N 2.94Å; E76-K79 PolarHBondContact O-N 3.09Å; E76-E80 PolarHBondContact O-N 2.94Å; E76-E80 VanDerWaalsContact O-N 3.14Å
77	A	83.7	Confident	85	Confident	24 Å²	24	80 Å²	80	20%	0.198	37%	0.37	C	S	.	.	H	α-helix	trans	-66.8	-40.5	178.4	0	0	0	0	0	112.3	K73 I74 K79 E80 I81 L528	K73-A77 WeakPolarHBondContact O-CB 3.09Å; K73-A77 PolarHBondContact O-N 3.3Å; I74-A77 PolarHBondContact O-N 3.38Å; A77-K79 PolarHBondContact O-N 3.33Å; A77-E80 WeakPolarHBondContact O-CB 3.34Å; A77-E80 PolarHBondContact O-N 2.97Å; A77-E80 VanDerWaalsContact O-N 3.12Å; A77-I81 VanDerWaalsContact O-CG1 3.3Å; A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 3.5Å; A77-L528 HydrophobicContact CB-CD2 3.59Å
78	S	86.4	Confident	84.9	Confident	31 Å²	31	77.9 Å²	77.9	22%	0.217	37%	0.365	C	S	.	.	H	α-helix	trans	-58.7	-46.8	175.2	178.4	0	0	0	0	111.2	I74 D75 E80 I81 H82	I74-S78 VanDerWaalsContact O-CB 3.23Å; I74-S78 WeakPolarHBondContact O-CB 3.3Å; I74-S78 PolarHBondContact O-N 3.05Å; D75-S78 PolarHBondContact O-N 3.03Å; S78-E80 VanDerWaalsContact C-N 3.27Å; S78-E80 PolarHBondContact O-N 3.38Å; S78-I81 PolarHBondContact O-N 3.17Å; S78-H82 WeakPolarHBondContact O-CB 3Å; S78-H82 PolarHBondContact O-N 3.14Å
79	K	88.6	Confident	85	Confident	107 Å²	107	75.6 Å²	75.6	47%	0.465	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-32.4	174.6	-73.9	166.6	178.9	162.2	0	113.2	D75 E76 A77 R83	D75-K79 WeakPolarHBondContact O-CB 3.5Å; D75-K79 WeakPolarHBondContact O-CG 3.36Å; D75-K79 PolarHBondContact O-N 3.23Å; D75-K79 WeakPolarHBondContact OD1-CE 3.42Å; D75-K79 IonicContact OD1-NZ 2.79Å; D75-K79 WeakPolarHBondContact OD2-CE 3.36Å; D75-K79 IonicContact OD2-NZ 3.75Å; D75-K79 PolarHBondContact OD2-NZ 2.68Å; E76-K79 PolarHBondContact O-N 3.09Å; A77-K79 PolarHBondContact O-N 3.33Å; K79-R83 WeakPolarHBondContact O-CB 3.29Å; K79-R83 VanDerWaalsContact O-CG 3.28Å; K79-R83 WeakPolarHBondContact O-CG 3.5Å; K79-R83 PolarHBondContact O-N 3Å; K79-R83 PolarHBondContact O-NE 2.8Å
80	E	86.6	Confident	85.2	Confident	109 Å²	109	72.3 Å²	72.3	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-73.2	-45.6	174.8	-174.3	174.8	-179.7	0	0	111.3	E76 A77 S78 H82 R83 E84	E76-E80 PolarHBondContact O-N 2.94Å; E76-E80 VanDerWaalsContact O-N 3.14Å; A77-E80 WeakPolarHBondContact O-CB 3.34Å; A77-E80 PolarHBondContact O-N 2.97Å; A77-E80 VanDerWaalsContact O-N 3.12Å; S78-E80 VanDerWaalsContact C-N 3.27Å; S78-E80 PolarHBondContact O-N 3.38Å; E80-H82 PolarHBondContact O-N 3.12Å; E80-R83 PolarHBondContact O-N 3.34Å; E80-E84 PolarHBondContact O-N 3.18Å
81	I	86.3	Confident	85.4	Confident	27 Å²	27	77.6 Å²	77.6	14%	0.138	37%	0.368	C	S	.	.	H	α-helix	trans	-55.8	-52	174.9	-70.8	164.8	0	0	0	110.3	A77 S78 R83 E84 F85 L528 Y532 A535	A77-I81 VanDerWaalsContact O-CG1 3.3Å; A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 3.5Å; S78-I81 PolarHBondContact O-N 3.17Å; I81-R83 VanDerWaalsContact C-N 3.33Å; I81-R83 PolarHBondContact O-N 3.16Å; I81-E84 PolarHBondContact O-N 3.38Å; I81-F85 VanDerWaalsContact O-CB 3.3Å; I81-F85 WeakPolarHBondContact O-CB 3.48Å; I81-F85 PolarHBondContact O-N 3.08Å; I81-L528 HydrophobicContact CD1-CD2 4.33Å; I81-Y532 HydrophobicContact CG2-CD2 3.94Å; I81-Y532 HydrophobicContact CG2-CG 4.46Å; I81-A535 HydrophobicContact CG2-CB 4.34Å
82	H	89.5	Confident	85.3	Confident	57 Å²	57	75.5 Å²	75.5	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-43.2	178.3	-174.3	-73.6	0	0	0	111.5	S78 E80 F85 H86 A535 D538	S78-H82 WeakPolarHBondContact O-CB 3Å; S78-H82 PolarHBondContact O-N 3.14Å; E80-H82 PolarHBondContact O-N 3.12Å; H82-F85 PolarHBondContact O-N 3.28Å; H82-H86 AromaticContact CD2-CD2 3.9Å; H82-H86 AromaticContact CD2-NE2 3.97Å; H82-H86 AromaticContact CE1-CD2 3.37Å; H82-H86 PolarHBondContact CE1-CD2 2.96Å; H82-H86 AromaticContact CE1-NE2 3.88Å; H82-H86 AromaticContact CG-CD2 3.88Å; H82-H86 AromaticContact ND1-CD2 3.55Å; H82-H86 AromaticContact NE2-CD2 3.61Å; H82-H86 AromaticContact NE2-NE2 3.65Å; H82-H86 PolarHBondContact O-CD2 2.79Å; H82-H86 VanDerWaalsContact O-CD2 3.22Å; H82-H86 PolarHBondContact O-N 3.37Å; H82-A535 HydrophobicContact CB-CB 4.23Å; H82-D538 IonicContact CD2-OD2 2.79Å; H82-D538 IonicContact NE2-OD2 3.71Å
83	R	88.1	Confident	85.3	Confident	164 Å²	164	75.1 Å²	75.1	62%	0.619	37%	0.365	S	S	*	.	H	α-helix	trans	-62.2	-46.2	176.4	-84.1	-178.6	-81.6	174.5	-4.9	112.7	K79 E80 I81 K87	K79-R83 WeakPolarHBondContact O-CB 3.29Å; K79-R83 VanDerWaalsContact O-CG 3.28Å; K79-R83 WeakPolarHBondContact O-CG 3.5Å; K79-R83 PolarHBondContact O-N 3Å; K79-R83 PolarHBondContact O-NE 2.8Å; E80-R83 PolarHBondContact O-N 3.34Å; I81-R83 VanDerWaalsContact C-N 3.33Å; I81-R83 PolarHBondContact O-N 3.16Å; R83-K87 WeakPolarHBondContact O-CA 2.96Å; R83-K87 WeakPolarHBondContact O-CB 3.41Å; R83-K87 PolarHBondContact O-N 3.12Å
84	E	84	Confident	85.7	Confident	108 Å²	108	73.9 Å²	73.9	51%	0.505	36%	0.36	S	S	.	.	H	α-helix	trans	-69.6	-37.3	179.6	-75.6	-63	127	0	0	112.1	E80 I81 K87	E80-E84 PolarHBondContact O-N 3.18Å; I81-E84 PolarHBondContact O-N 3.38Å; E84-K87 WeakPolarHBondContact O-CB 3.37Å; E84-K87 PolarHBondContact O-N 3.3Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 2.94Å; E84-K87 IonicContact OE2-NZ 3.45Å; E84-K87 PolarHBondContact OE2-NZ 3.07Å; E84-K87 VanDerWaalsContact OE2-NZ 3.16Å
85	F	85.6	Confident	85.9	Confident	69 Å²	69	79.3 Å²	79.3	30%	0.303	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-47.6	176.8	-161.9	-87	0	0	0	111.5	I81 H82 Y532 A535 Y536	I81-F85 VanDerWaalsContact O-CB 3.3Å; I81-F85 WeakPolarHBondContact O-CB 3.48Å; I81-F85 PolarHBondContact O-N 3.08Å; H82-F85 PolarHBondContact O-N 3.28Å; F85-Y532 HydrophobicContact CD2-CD2 4.47Å; F85-Y532 AromaticContact CD2-CE2 3.86Å; F85-Y532 HydrophobicContact CD2-CE2 3.86Å; F85-Y532 HydrophobicContact CE2-CE1 4.48Å; F85-Y532 HydrophobicContact CE2-CE2 4.09Å; F85-Y532 AromaticContact CE2-CZ 3.85Å; F85-A535 HydrophobicContact CB-CB 4.36Å; F85-A535 WeakPolarHBondContact CD1-O 3.44Å; F85-A535 HydrophobicContact CG-CB 4.45Å; F85-Y536 HydrophobicContact CE1-CD2 4.44Å; F85-Y536 HydrophobicContact CE2-CD2 4.09Å; F85-Y536 AromaticContact CZ-CD2 3.49Å; F85-Y536 HydrophobicContact CZ-CD2 3.49Å; F85-Y536 VanDerWaalsContact CZ-CD2 3.49Å; F85-Y536 HydrophobicContact CZ-CE2 4.33Å; F85-Y536 HydrophobicContact CZ-CG 4.06Å
86	H	87.8	Confident	86.1	Confident	13 Å²	13	81 Å²	81	6%	0.06	39%	0.388	C	S	.	.	H	α-helix	trans	-88.9	-1.1	-179.4	-64.5	-70.2	0	0	0	114.8	H82 K88 T89 S90 A535 D538 P540	H82-H86 AromaticContact CD2-CD2 3.9Å; H82-H86 AromaticContact CD2-NE2 3.97Å; H82-H86 AromaticContact CE1-CD2 3.37Å; H82-H86 PolarHBondContact CE1-CD2 2.96Å; H82-H86 AromaticContact CE1-NE2 3.88Å; H82-H86 AromaticContact CG-CD2 3.88Å; H82-H86 AromaticContact ND1-CD2 3.55Å; H82-H86 AromaticContact NE2-CD2 3.61Å; H82-H86 AromaticContact NE2-NE2 3.65Å; H82-H86 PolarHBondContact O-CD2 2.79Å; H82-H86 VanDerWaalsContact O-CD2 3.22Å; H82-H86 PolarHBondContact O-N 3.37Å; H86-K88 PolarHBondContact O-N 3.02Å; H86-K88 VanDerWaalsContact O-N 3.1Å; H86-T89 WeakPolarHBondContact CA-OG1 3.29Å; H86-T89 CarbonylContact O-C 3.55Å; H86-T89 PolarHBondContact O-N 2.71Å; H86-T89 PolarHBondContact O-OG1 2.91Å; H86-S90 PolarHBondContact O-N 3.24Å; H86-A535 PolarHBondContact CE1-O 2.94Å; H86-A535 PolarHBondContact NE2-O 3.2Å; H86-D538 PolarHBondContact CE1-O 3.03Å; H86-P540 HydrophobicContact CB-CG 3.85Å
87	K	85.5	Confident	86.5	Confident	118 Å²	118	83.9 Å²	83.9	51%	0.513	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-43.5	-177.1	-172.4	175.1	-171.4	163.4	0	112.9	R83 E84 S90	R83-K87 WeakPolarHBondContact O-CA 2.96Å; R83-K87 WeakPolarHBondContact O-CB 3.41Å; R83-K87 PolarHBondContact O-N 3.12Å; E84-K87 WeakPolarHBondContact O-CB 3.37Å; E84-K87 PolarHBondContact O-N 3.3Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 2.94Å; E84-K87 IonicContact OE2-NZ 3.45Å; E84-K87 PolarHBondContact OE2-NZ 3.07Å; E84-K87 VanDerWaalsContact OE2-NZ 3.16Å; K87-S90 PolarHBondContact O-OG 3.31Å
88	K	78.7	Confident	87	Confident	105 Å²	105	90.4 Å²	90.4	46%	0.457	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-16.6	-178	-66.2	-176.1	179.3	172.9	0	113.9	H86 H91 Y120	H86-K88 PolarHBondContact O-N 3.02Å; H86-K88 VanDerWaalsContact O-N 3.1Å; K88-H91 PolarHBondContact O-CE1 3.04Å; K88-H91 PolarHBondContact O-ND1 3.48Å; K88-Y120 HydrophobicContact CD-CD1 3.68Å; K88-Y120 HydrophobicContact CD-CE1 3.88Å; K88-Y120 HydrophobicContact CD-CG 4.13Å; K88-Y120 VanDerWaalsContact NZ-CD1 3.33Å
89	T	84.9	Confident	87.3	Confident	31 Å²	31	92.3 Å²	92.3	19%	0.19	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	4.2	177.8	56.2	0	0	0	0	112.2	H86 H91 I92	H86-T89 WeakPolarHBondContact CA-OG1 3.29Å; H86-T89 CarbonylContact O-C 3.55Å; H86-T89 PolarHBondContact O-N 2.71Å; H86-T89 PolarHBondContact O-OG1 2.91Å; T89-H91 PolarHBondContact O-N 2.94Å; T89-H91 VanDerWaalsContact O-N 3.12Å; T89-I92 HydrophobicContact CG2-CD1 3.77Å; T89-I92 VanDerWaalsContact O-CB 3.29Å; T89-I92 WeakPolarHBondContact O-CB 3.05Å; T89-I92 PolarHBondContact O-N 3.41Å
90	S	83.8	Confident	87.7	Confident	66 Å²	66	94.5 Å²	94.5	46%	0.462	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.6	-178.9	57.6	0	0	0	0	114.4	H86 K87 N542	H86-S90 PolarHBondContact O-N 3.24Å; K87-S90 PolarHBondContact O-OG 3.31Å; S90-N542 PolarHBondContact O-ND2 3.39Å
91	H	83	Confident	88.1	Confident	140 Å²	140	94 Å²	94	65%	0.648	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.1	176.5	62.6	-85.5	0	0	0	113.2	K88 T89	K88-H91 PolarHBondContact O-CE1 3.04Å; K88-H91 PolarHBondContact O-ND1 3.48Å; T89-H91 PolarHBondContact O-N 2.94Å; T89-H91 VanDerWaalsContact O-N 3.12Å
92	I	83.3	Confident	88.6	Confident	27 Å²	27	96.3 Å²	96.3	14%	0.138	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-93.8	132.6	-176.7	-54.4	179.7	0	0	0	108.7	T89 F94 L118 N542	T89-I92 HydrophobicContact CG2-CD1 3.77Å; T89-I92 VanDerWaalsContact O-CB 3.29Å; T89-I92 WeakPolarHBondContact O-CB 3.05Å; T89-I92 PolarHBondContact O-N 3.41Å; I92-F94 HydrophobicContact CB-CE2 4.34Å; I92-L118 HydrophobicContact CD1-CD1 3.37Å; I92-L118 HydrophobicContact CD1-CD2 3.54Å; I92-L118 HydrophobicContact CD1-CG 4.08Å; I92-L118 HydrophobicContact CG1-CD2 4.47Å; I92-N542 PolarHBondContact O-ND2 3.13Å
93	V	85.3	Confident	88.9	Confident	119 Å²	119	98.1 Å²	98.1	72%	0.721	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-86.1	119.6	167	-177.8	0	0	0	0	107.3
94	F	89.6	Confident	89.4	Confident	66 Å²	66	93.8 Å²	93.8	29%	0.289	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-86.9	138.8	178.3	-73.2	-101.6	0	0	0	110.4	I92 K96 I539	I92-F94 HydrophobicContact CB-CE2 4.34Å; F94-K96 PolarHBondContact O-N 2.96Å; F94-I539 HydrophobicContact CB-CG2 3.32Å; F94-I539 HydrophobicContact CD1-CG1 4.28Å; F94-I539 HydrophobicContact CD1-CG2 4.11Å; F94-I539 HydrophobicContact CD2-CG2 3.94Å; F94-I539 HydrophobicContact CG-CG2 3.55Å
95	E	89.4	Confident	90	Very high	134 Å²	134	93.3 Å²	93.3	63%	0.626	51%	0.513	S	S	*	.			trans	-73.3	112.3	171.7	-59.5	-64.6	175.8	0	0	109.4
96	K	91.6	Very high	90.6	Very high	109 Å²	109	96.1 Å²	96.1	47%	0.474	53%	0.527	S	S	.	.			trans	-97	-16	-179.4	-61.8	-177.2	-177.2	179	0	113.5	F94 I539 N541	F94-K96 PolarHBondContact O-N 2.96Å; K96-I539 HydrophobicContact CG-CG2 4.42Å; K96-N541 PolarHBondContact NZ-OD1 3.19Å
97	N	93.8	Very high	91	Very high	137 Å²	137	99.8 Å²	99.8	73%	0.733	55%	0.547	S	S	*	.	S	Bend	trans	-129.4	153.8	-177.1	-61.6	-66.7	0	0	0	109.6
98	L	94.8	Very high	91.5	Very high	162 Å²	162	97.8 Å²	97.8	85%	0.848	55%	0.545	S	S	*	.			trans	-59.8	140	164.9	-74.8	170.3	0	0	0	109.3	V100	L98-V100 PolarHBondContact O-N 2.88Å
99	P	93.9	Very high	92.3	Very high	71 Å²	71	96.6 Å²	96.6	46%	0.461	54%	0.543	S	S	.	.			trans	-64.6	137.3	176.1	30.2	-35.7	0	0	0	109.1	C101	P99-C101 WeakPolarHBondContact CB-O 3.15Å; P99-C101 PolarHBondContact O-N 3.36Å
100	V	96.2	Very high	92.8	Very high	152 Å²	152	98.6 Å²	98.6	92%	0.921	56%	0.558	S	S	*	*	S	Bend	trans	-57	-36.8	-178.4	178.9	0	0	0	0	111.3	L98	L98-V100 PolarHBondContact O-N 2.88Å
101	C	95.8	Very high	93.2	Very high	98 Å²	98	97.5 Å²	97.5	66%	0.662	55%	0.551	S	S	*	*	S	Bend	trans	-116.6	139.8	172	-60.5	0	0	0	0	109.4	P99	P99-C101 WeakPolarHBondContact CB-O 3.15Å; P99-C101 PolarHBondContact O-N 3.36Å
102	G	95.9	Very high	93.7	Very high	76 Å²	76	93.3 Å²	93.3	78%	0.784	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-57	139.2	172.5	0	0	0	0	0	111.8
103	Q	95.7	Very high	94.2	Very high	96 Å²	96	99.9 Å²	99.9	45%	0.449	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-81.6	153.8	176.4	-66.8	-172.9	-11.1	0	0	111.2	N107 V108	Q103-N107 HydrophobicContact CB-CB 4.27Å; Q103-V108 HydrophobicContact CB-CG2 3.72Å
104	T	97.7	Very high	94.5	Very high	72 Å²	72	101.3 Å²	101.3	44%	0.442	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-67.1	157.8	171.9	67.2	0	0	0	0	111.1	E106 N107 V108	T104-E106 WeakPolarHBondContact CB-OE2 3.14Å; T104-E106 PolarHBondContact O-N 2.79Å; T104-E106 PolarHBondContact OG1-OE2 2.97Å; T104-N107 PolarHBondContact O-N 3.07Å; T104-N107 VanDerWaalsContact O-N 3.14Å; T104-N107 VanDerWaalsContact OG1-CG 3.3Å; T104-N107 PolarHBondContact OG1-N 3.24Å; T104-N107 PolarHBondContact OG1-ND2 3.49Å; T104-V108 WeakPolarHBondContact O-CG2 3.1Å; T104-V108 PolarHBondContact O-N 3.4Å
105	V	97.1	Very high	94.4	Very high	99 Å²	99	103.6 Å²	103.6	60%	0.6	57%	0.568	S	S	*	*	H	α-helix	trans	-55.8	-42.2	177.8	173.5	0	0	0	0	110.8	N107 V108 L109	V105-N107 PolarHBondContact O-N 3.13Å; V105-V108 PolarHBondContact O-N 2.98Å; V105-L109 HydrophobicContact CG1-CD1 3.76Å; V105-L109 HydrophobicContact CG1-CG 4.24Å; V105-L109 WeakPolarHBondContact O-CB 3.49Å; V105-L109 VanDerWaalsContact O-CG 3.25Å; V105-L109 WeakPolarHBondContact O-CG 3.32Å; V105-L109 PolarHBondContact O-N 3.24Å
106	E	97.8	Very high	94.4	Very high	128 Å²	128	104.5 Å²	104.5	60%	0.598	57%	0.569	S	S	*	*	H	α-helix	trans	-62.4	-42.6	179.8	-62.4	70.7	-153.1	0	0	111.6	T104 L109 S110	T104-E106 WeakPolarHBondContact CB-OE2 3.14Å; T104-E106 PolarHBondContact O-N 2.79Å; T104-E106 PolarHBondContact OG1-OE2 2.97Å; E106-L109 PolarHBondContact O-N 3.34Å; E106-S110 VanDerWaalsContact O-CB 3.27Å; E106-S110 WeakPolarHBondContact O-CB 3.38Å; E106-S110 PolarHBondContact O-N 2.92Å
107	N	96.2	Very high	94.2	Very high	89 Å²	89	104.5 Å²	104.5	48%	0.476	58%	0.579	S	S	.	*	H	α-helix	trans	-66.7	-44.9	179.3	-75.1	-8.6	0	0	0	111.3	Q103 T104 V105 L109 S110 S111	Q103-N107 HydrophobicContact CB-CB 4.27Å; T104-N107 PolarHBondContact O-N 3.07Å; T104-N107 VanDerWaalsContact O-N 3.14Å; T104-N107 VanDerWaalsContact OG1-CG 3.3Å; T104-N107 PolarHBondContact OG1-N 3.24Å; T104-N107 PolarHBondContact OG1-ND2 3.49Å; V105-N107 PolarHBondContact O-N 3.13Å; N107-L109 PolarHBondContact O-N 2.85Å; N107-S110 PolarHBondContact O-N 3.03Å; N107-S111 PolarHBondContact O-N 3.42Å; N107-S111 PolarHBondContact O-OG 3.11Å
108	V	96	Very high	93.8	Very high	77 Å²	77	101.2 Å²	101.2	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-45.1	176.9	177.6	0	0	0	0	110.8	Q103 T104 V105 S110 S111 A112	Q103-V108 HydrophobicContact CB-CG2 3.72Å; T104-V108 WeakPolarHBondContact O-CG2 3.1Å; T104-V108 PolarHBondContact O-N 3.4Å; V105-V108 PolarHBondContact O-N 2.98Å; V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 PolarHBondContact O-N 3.07Å; V108-S111 PolarHBondContact O-N 2.96Å; V108-A112 WeakPolarHBondContact O-CB 3.47Å; V108-A112 PolarHBondContact O-N 2.63Å
109	L	96.4	Very high	93.3	Very high	80 Å²	80	97.1 Å²	97.1	42%	0.419	54%	0.537	S	S	.	.	H	α-helix	trans	-63.2	-39.7	176.9	-73.1	175.1	0	0	0	112.2	V105 E106 N107 A112 R113	V105-L109 HydrophobicContact CG1-CD1 3.76Å; V105-L109 HydrophobicContact CG1-CG 4.24Å; V105-L109 WeakPolarHBondContact O-CB 3.49Å; V105-L109 VanDerWaalsContact O-CG 3.25Å; V105-L109 WeakPolarHBondContact O-CG 3.32Å; V105-L109 PolarHBondContact O-N 3.24Å; E106-L109 PolarHBondContact O-N 3.34Å; N107-L109 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 2.92Å; L109-R113 WeakPolarHBondContact O-CB 3.29Å; L109-R113 WeakPolarHBondContact O-CG 3.33Å; L109-R113 PolarHBondContact O-N 2.85Å
110	S	95.9	Very high	92.7	Very high	73 Å²	73	100 Å²	100	51%	0.51	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-46.9	176	-171.6	0	0	0	0	111.3	E106 N107 V108 R113 K114	E106-S110 VanDerWaalsContact O-CB 3.27Å; E106-S110 WeakPolarHBondContact O-CB 3.38Å; E106-S110 PolarHBondContact O-N 2.92Å; N107-S110 PolarHBondContact O-N 3.03Å; V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 PolarHBondContact O-N 3.07Å; S110-R113 PolarHBondContact O-N 3.18Å; S110-K114 PolarHBondContact O-N 3.19Å
111	S	92.4	Very high	92.1	Very high	43 Å²	43	94.6 Å²	94.6	30%	0.301	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.9	-64.2	0	0	0	0	112.1	N107 V108 R113 K114 Y115	N107-S111 PolarHBondContact O-N 3.42Å; N107-S111 PolarHBondContact O-OG 3.11Å; V108-S111 PolarHBondContact O-N 2.96Å; S111-R113 VanDerWaalsContact C-N 3.33Å; S111-R113 PolarHBondContact O-N 3.23Å; S111-K114 WeakPolarHBondContact O-CB 3.42Å; S111-K114 PolarHBondContact O-N 3.09Å; S111-K114 VanDerWaalsContact O-N 3.15Å; S111-Y115 PolarHBondContact O-N 2.91Å
112	A	92.7	Very high	91.7	Very high	52 Å²	52	93.9 Å²	93.9	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-61.4	-39.9	176.7	0	0	0	0	0	112.3	V108 L109 Y115 K116	V108-A112 WeakPolarHBondContact O-CB 3.47Å; V108-A112 PolarHBondContact O-N 2.63Å; L109-A112 PolarHBondContact O-N 2.92Å; A112-Y115 PolarHBondContact O-N 3.14Å; A112-K116 PolarHBondContact O-N 3.14Å
113	R	94.1	Very high	91.5	Very high	164 Å²	164	94.3 Å²	94.3	62%	0.619	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-39.2	174.6	-73.3	167.5	-174.2	154.3	1.7	111.9	L109 S110 S111 Y115 K116 T117	L109-R113 WeakPolarHBondContact O-CB 3.29Å; L109-R113 WeakPolarHBondContact O-CG 3.33Å; L109-R113 PolarHBondContact O-N 2.85Å; S110-R113 PolarHBondContact O-N 3.18Å; S111-R113 VanDerWaalsContact C-N 3.33Å; S111-R113 PolarHBondContact O-N 3.23Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-K116 WeakPolarHBondContact O-CB 3.37Å; R113-K116 PolarHBondContact O-N 3.14Å; R113-T117 PolarHBondContact O-N 3.48Å
114	K	91.1	Very high	91.2	Very high	150 Å²	150	93.8 Å²	93.8	65%	0.652	47%	0.469	S	S	*	.	H	α-helix	trans	-61.8	-40.6	172.8	-174.4	-177.2	177.5	-175.1	0	111.3	S110 S111 K116 T117	S110-K114 PolarHBondContact O-N 3.19Å; S111-K114 WeakPolarHBondContact O-CB 3.42Å; S111-K114 PolarHBondContact O-N 3.09Å; S111-K114 VanDerWaalsContact O-N 3.15Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 2.93Å; K114-T117 PolarHBondContact O-N 3Å; K114-T117 VanDerWaalsContact O-N 3.14Å; K114-T117 PolarHBondContact O-OG1 3.03Å
115	Y	88.7	Confident	90.9	Very high	114 Å²	114	94.6 Å²	94.6	45%	0.447	47%	0.468	S	S	.	.	H	α-helix	trans	-64.5	-35.8	175.4	-59.4	-21.5	0	0	0	112.4	S111 A112 R113 T117 L118	S111-Y115 PolarHBondContact O-N 2.91Å; A112-Y115 PolarHBondContact O-N 3.14Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; Y115-T117 PolarHBondContact O-N 2.79Å; Y115-L118 VanDerWaalsContact O-CB 3.22Å; Y115-L118 WeakPolarHBondContact O-CB 3.35Å; Y115-L118 VanDerWaalsContact O-CG 3.27Å; Y115-L118 WeakPolarHBondContact O-CG 3.32Å; Y115-L118 PolarHBondContact O-N 2.8Å
116	K	88.3	Confident	90.7	Very high	153 Å²	153	89.9 Å²	89.9	67%	0.665	44%	0.44	S	S	*	.	H	α-helix	trans	-60.8	-27.2	174.8	-167.3	173.4	-179.7	176.7	0	112.8	A112 R113 K114 L118 E119	A112-K116 PolarHBondContact O-N 3.14Å; R113-K116 WeakPolarHBondContact O-CB 3.37Å; R113-K116 PolarHBondContact O-N 3.14Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 2.93Å; K116-L118 PolarHBondContact O-N 3.01Å; K116-E119 WeakPolarHBondContact O-CB 3.35Å; K116-E119 PolarHBondContact O-N 3.03Å
117	T	87.1	Confident	90.5	Very high	109 Å²	109	84.5 Å²	84.5	67%	0.669	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.4	176.7	75.2	0	0	0	0	113.6	R113 K114 Y115 E119	R113-T117 PolarHBondContact O-N 3.48Å; K114-T117 PolarHBondContact O-N 3Å; K114-T117 VanDerWaalsContact O-N 3.14Å; K114-T117 PolarHBondContact O-OG1 3.03Å; Y115-T117 PolarHBondContact O-N 2.79Å; T117-E119 PolarHBondContact O-N 3.49Å
118	L	86.2	Confident	90.5	Very high	67 Å²	67	81 Å²	81	35%	0.351	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.6	174.4	-55.6	172.6	0	0	0	112.7	I92 Y115 K116 Y120	I92-L118 HydrophobicContact CD1-CD1 3.37Å; I92-L118 HydrophobicContact CD1-CD2 3.54Å; I92-L118 HydrophobicContact CD1-CG 4.08Å; I92-L118 HydrophobicContact CG1-CD2 4.47Å; Y115-L118 VanDerWaalsContact O-CB 3.22Å; Y115-L118 WeakPolarHBondContact O-CB 3.35Å; Y115-L118 VanDerWaalsContact O-CG 3.27Å; Y115-L118 WeakPolarHBondContact O-CG 3.32Å; Y115-L118 PolarHBondContact O-N 2.8Å; K116-L118 PolarHBondContact O-N 3.01Å; L118-Y120 PolarHBondContact O-N 2.89Å
119	E	85.2	Confident	90.6	Very high	77 Å²	77	77.3 Å²	77.3	36%	0.36	37%	0.374	S	S	.	.			trans	-63.3	105.6	174.2	-170.2	-172	106.3	0	0	110.4	K116 T117 W123	K116-E119 WeakPolarHBondContact O-CB 3.35Å; K116-E119 PolarHBondContact O-N 3.03Å; T117-E119 PolarHBondContact O-N 3.49Å; E119-W123 VanDerWaalsContact CD-CD1 3.42Å; E119-W123 PolarHBondContact OE1-NE1 3.04Å; E119-W123 PolarHBondContact OE2-NE1 2.95Å
120	Y	80.6	Confident	90.6	Very high	132 Å²	132	73.8 Å²	73.8	52%	0.518	36%	0.356	S	S	.	.			trans	-97.4	-21.2	-177.2	74	-91.3	0	0	0	113.3	K88 L118	K88-Y120 HydrophobicContact CD-CD1 3.68Å; K88-Y120 HydrophobicContact CD-CE1 3.88Å; K88-Y120 HydrophobicContact CD-CG 4.13Å; K88-Y120 VanDerWaalsContact NZ-CD1 3.33Å; L118-Y120 PolarHBondContact O-N 2.89Å
121	I	84	Confident	90.5	Very high	37 Å²	37	73.3 Å²	73.3	19%	0.19	35%	0.353	C	S	.	.	S	Bend	trans	-91.9	120.3	177.9	-52.3	-179.6	0	0	0	108.3	W123 V128 N460	I121-W123 PolarHBondContact O-N 3.42Å; I121-V128 HydrophobicContact CB-CG2 4.49Å; I121-V128 HydrophobicContact CG2-CG2 3.28Å; I121-N460 HydrophobicContact CD1-CB 4.21Å; I121-N460 VanDerWaalsContact CD1-ND2 3.33Å; I121-N460 WeakPolarHBondContact CD1-ND2 2.98Å; I121-N460 HydrophobicContact CG2-CB 4.3Å
122	K	87.5	Confident	90.6	Very high	83 Å²	83	73.2 Å²	73.2	36%	0.361	35%	0.351	S	S	.	.			trans	-78.9	69.7	179.5	-59.8	-59.7	-174.5	-173.1	0	111	N124 E125 F127	K122-N124 PolarHBondContact O-N 2.88Å; K122-E125 HydrophobicContact CB-CB 4.02Å; K122-E125 HydrophobicContact CB-CG 4.03Å; K122-E125 WeakPolarHBondContact CG-OE1 3.31Å; K122-E125 PolarHBondContact O-N 2.93Å; K122-E125 VanDerWaalsContact O-N 3.09Å; K122-F127 HydrophobicContact CB-CD2 4.11Å
123	W	90.8	Very high	90.8	Very high	86 Å²	86	71.5 Å²	71.5	33%	0.326	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.3	-32.9	178.8	63.8	-96.1	0	0	0	112	E119 I121 E125 G126 V128 V132	E119-W123 VanDerWaalsContact CD-CD1 3.42Å; E119-W123 PolarHBondContact OE1-NE1 3.04Å; E119-W123 PolarHBondContact OE2-NE1 2.95Å; I121-W123 PolarHBondContact O-N 3.42Å; W123-E125 PolarHBondContact O-N 2.91Å; W123-G126 PolarHBondContact O-N 3.4Å; W123-V128 HydrophobicContact CB-CB 4.19Å; W123-V128 HydrophobicContact CB-CG2 3.69Å; W123-V132 HydrophobicContact CB-CG2 4.42Å; W123-V132 HydrophobicContact CD2-CB 4.33Å; W123-V132 HydrophobicContact CD2-CG1 4.49Å; W123-V132 HydrophobicContact CD2-CG2 3.81Å; W123-V132 HydrophobicContact CE3-CB 3.72Å; W123-V132 HydrophobicContact CE3-CG1 3.6Å; W123-V132 HydrophobicContact CE3-CG2 3.7Å; W123-V132 HydrophobicContact CG-CG2 4.13Å; W123-V132 HydrophobicContact CH2-CG1 4.35Å; W123-V132 HydrophobicContact CZ3-CB 4.2Å; W123-V132 HydrophobicContact CZ3-CG1 3.54Å; W123-V132 HydrophobicContact CZ3-CG2 4.33Å
124	N	90.1	Very high	90.8	Very high	84 Å²	84	65.4 Å²	65.4	45%	0.449	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-69.8	-9.2	176.8	68.7	-34.6	0	0	0	113.7	K122 M477	K122-N124 PolarHBondContact O-N 2.88Å; N124-M477 VanDerWaalsContact C-CE 3.44Å; N124-M477 WeakPolarHBondContact O-CE 3.4Å
125	E	90.7	Very high	90.7	Very high	89 Å²	89	63.7 Å²	63.7	42%	0.416	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-100.8	5.2	172.7	-66.7	173.1	-144.7	0	0	112.2	K122 W123 F127 R486	K122-E125 HydrophobicContact CB-CB 4.02Å; K122-E125 HydrophobicContact CB-CG 4.03Å; K122-E125 WeakPolarHBondContact CG-OE1 3.31Å; K122-E125 PolarHBondContact O-N 2.93Å; K122-E125 VanDerWaalsContact O-N 3.09Å; W123-E125 PolarHBondContact O-N 2.91Å; E125-F127 HydrophobicContact CB-CD2 3.7Å; E125-F127 HydrophobicContact CB-CE2 3.72Å; E125-F127 WeakPolarHBondContact OE2-CE2 3.36Å; E125-R486 PolarHBondContact O-NH2 3.37Å
126	G	92.9	Very high	90.7	Very high	1 Å²	1	61 Å²	61	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	22.5	175.8	0	0	0	0	0	114.6	W123 W459 H478	W123-G126 PolarHBondContact O-N 3.4Å; G126-W459 WeakPolarHBondContact O-CZ3 3.45Å; G126-H478 PolarHBondContact O-CD2 2.94Å; G126-H478 VanDerWaalsContact O-CD2 3.28Å; G126-H478 PolarHBondContact O-NE2 3.39Å
127	F	94.8	Very high	90.7	Very high	15 Å²	15	60 Å²	60	7%	0.066	30%	0.299	C	S	.	.			trans	-83.9	-3.5	179.9	-75.4	-74.4	0	0	0	114.7	K122 E125 R457 G458 W459 N460	K122-F127 HydrophobicContact CB-CD2 4.11Å; E125-F127 HydrophobicContact CB-CD2 3.7Å; E125-F127 HydrophobicContact CB-CE2 3.72Å; E125-F127 WeakPolarHBondContact OE2-CE2 3.36Å; F127-R457 VanDerWaalsContact CE1-O 3.28Å; F127-R457 WeakPolarHBondContact CE1-O 3.47Å; F127-G458 WeakPolarHBondContact CB-O 3.07Å; F127-W459 HydrophobicContact CB-CE3 4.49Å; F127-W459 AromaticContact CD1-CD2 3.74Å; F127-W459 HydrophobicContact CD1-CD2 3.74Å; F127-W459 AromaticContact CD1-CE2 3.74Å; F127-W459 HydrophobicContact CD1-CE3 4.14Å; F127-W459 HydrophobicContact CD1-CG 4.07Å; F127-W459 HydrophobicContact CD1-CH2 4.42Å; F127-W459 HydrophobicContact CD1-CZ2 4.08Å; F127-W459 HydrophobicContact CD1-CZ3 4.47Å; F127-W459 HydrophobicContact CE1-CD2 4.42Å; F127-W459 AromaticContact CE1-CE2 3.96Å; F127-W459 HydrophobicContact CE1-CZ2 4.14Å; F127-W459 CarbonylContact O-C 3.19Å; F127-W459 VanDerWaalsContact O-CA 3.29Å; F127-W459 WeakPolarHBondContact O-CA 3.43Å; F127-N460 PolarHBondContact O-N 2.86Å
128	V	95.5	Very high	91.1	Very high	14 Å²	14	59.9 Å²	59.9	9%	0.085	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-116.8	123.7	-168.3	-177.7	0	0	0	0	111.3	I121 W123 G130 S131 N460 H478	I121-V128 HydrophobicContact CB-CG2 4.49Å; I121-V128 HydrophobicContact CG2-CG2 3.28Å; W123-V128 HydrophobicContact CB-CB 4.19Å; W123-V128 HydrophobicContact CB-CG2 3.69Å; V128-G130 PolarHBondContact O-N 3.41Å; V128-S131 WeakPolarHBondContact CG1-OG 3.33Å; V128-N460 HydrophobicContact CG1-CB 4.41Å; V128-N460 HydrophobicContact CG2-CB 4.13Å; V128-H478 PolarHBondContact O-CE1 2.97Å; V128-H478 PolarHBondContact O-NE2 3.38Å
129	S	97.8	Very high	91.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	28%	0.279	C	S	.	.	S	Bend	trans	-61.6	123.8	170.4	176.4	0	0	0	0	110.9	S131 N460 N462 C473	S129-S131 PolarHBondContact O-N 3.17Å; S129-S131 PolarHBondContact O-OG 2.98Å; S129-N460 WeakPolarHBondContact CB-O 3.45Å; S129-N460 PolarHBondContact N-O 3.4Å; S129-N462 WeakPolarHBondContact CB-OD1 3.25Å; S129-N462 PolarHBondContact OG-OD1 3.4Å; S129-C473 WeakPolarHBondContact OG-CB 3.39Å; S129-C473 PolarHBondContact OG-N 2.9Å
130	G	96.8	Very high	92	Very high	5 Å²	5	55.8 Å²	55.8	5%	0.052	28%	0.283	C	S	.	.	S	Bend	trans	56.3	-130.2	-179	0	0	0	0	0	111.1	V128 V132 C473	V128-G130 PolarHBondContact O-N 3.41Å; G130-V132 PolarHBondContact O-N 3.07Å; G130-C473 PolarHBondContact N-O 3.27Å
131	S	94	Very high	92.8	Very high	63 Å²	63	53.8 Å²	53.8	44%	0.441	28%	0.284	S	S	.	.	S	Bend	trans	62.8	-67.4	174.9	-52.9	0	0	0	0	114.6	V128 S129 K342	V128-S131 WeakPolarHBondContact CG1-OG 3.33Å; S129-S131 PolarHBondContact O-N 3.17Å; S129-S131 PolarHBondContact O-OG 2.98Å; S131-K342 WeakPolarHBondContact O-CE 3.28Å; S131-K342 PolarHBondContact O-NZ 3.4Å
132	V	94.7	Very high	93.4	Very high	42 Å²	42	54.4 Å²	54.4	26%	0.255	29%	0.288	S	S	.	.			trans	-114.1	118.3	175.8	-171.5	0	0	0	0	110.1	W123 G130 T475	W123-V132 HydrophobicContact CB-CG2 4.42Å; W123-V132 HydrophobicContact CD2-CB 4.33Å; W123-V132 HydrophobicContact CD2-CG1 4.49Å; W123-V132 HydrophobicContact CD2-CG2 3.81Å; W123-V132 HydrophobicContact CE3-CB 3.72Å; W123-V132 HydrophobicContact CE3-CG1 3.6Å; W123-V132 HydrophobicContact CE3-CG2 3.7Å; W123-V132 HydrophobicContact CG-CG2 4.13Å; W123-V132 HydrophobicContact CH2-CG1 4.35Å; W123-V132 HydrophobicContact CZ3-CB 4.2Å; W123-V132 HydrophobicContact CZ3-CG1 3.54Å; W123-V132 HydrophobicContact CZ3-CG2 4.33Å; G130-V132 PolarHBondContact O-N 3.07Å; V132-T475 WeakPolarHBondContact O-CB 3.28Å; V132-T475 WeakPolarHBondContact O-CG2 3.21Å; V132-T475 PolarHBondContact O-OG1 2.89Å
133	Y	96.8	Very high	93.9	Very high	15 Å²	15	51 Å²	51	6%	0.059	28%	0.275	C	S	.	.			trans	-92.5	-47.3	-169.4	-71	-99.5	0	0	0	114.7	K336 Y337 T475 D476	Y133-K336 WeakPolarHBondContact CB-O 3.45Å; Y133-K336 VanDerWaalsContact CD1-C 3.43Å; Y133-K336 HydrophobicContact CD1-CB 4.01Å; Y133-K336 HydrophobicContact CD2-CB 4.41Å; Y133-K336 HydrophobicContact CE1-CB 3.64Å; Y133-K336 HydrophobicContact CE1-CD 4.46Å; Y133-K336 HydrophobicContact CE1-CG 4.05Å; Y133-K336 HydrophobicContact CE2-CB 4.06Å; Y133-K336 HydrophobicContact CE2-CG 3.82Å; Y133-K336 HydrophobicContact CG-CB 4.39Å; Y133-K336 WeakPolarHBondContact OH-CD 3.44Å; Y133-Y337 AromaticContact CD1-CD1 3.85Å; Y133-Y337 HydrophobicContact CD1-CD1 3.85Å; Y133-Y337 HydrophobicContact CD1-CD2 4.35Å; Y133-Y337 AromaticContact CD1-CE1 3.75Å; Y133-Y337 HydrophobicContact CD1-CE1 3.75Å; Y133-Y337 HydrophobicContact CD1-CE2 4.3Å; Y133-Y337 HydrophobicContact CD1-CG 4.15Å; Y133-Y337 AromaticContact CD1-CZ 3.97Å; Y133-Y337 HydrophobicContact CE1-CD1 4.33Å; Y133-Y337 HydrophobicContact CE1-CD2 4.15Å; Y133-Y337 AromaticContact CE1-CE1 3.97Å; Y133-Y337 HydrophobicContact CE1-CE1 3.97Å; Y133-Y337 AromaticContact CE1-CE2 3.8Å; Y133-Y337 HydrophobicContact CE1-CE2 3.8Å; Y133-Y337 HydrophobicContact CE1-CG 4.41Å; Y133-Y337 AromaticContact CE1-CZ 3.67Å; Y133-T475 HydrophobicContact CD1-CG2 3.83Å; Y133-T475 HydrophobicContact CE1-CG2 4.13Å; Y133-T475 HydrophobicContact CG-CG2 4.16Å; Y133-D476 WeakPolarHBondContact O-CB 3.31Å; Y133-D476 PolarHBondContact O-N 2.84Å; Y133-D476 VanDerWaalsContact O-N 3.16Å
134	P	94.2	Very high	94.2	Very high	37 Å²	37	51.4 Å²	51.4	24%	0.24	29%	0.286	C	S	.	.			trans	-83.6	155.2	-179.8	32.2	-33.6	0	0	0	112.5	L139 F339 M477	P134-L139 HydrophobicContact CB-CD2 3.82Å; P134-L139 HydrophobicContact CG-CD2 4.34Å; P134-F339 HydrophobicContact CB-CB 4.14Å; P134-F339 HydrophobicContact CB-CD1 3.92Å; P134-F339 HydrophobicContact CB-CG 4.27Å; P134-M477 VanDerWaalsContact O-SD 3.35Å
135	R	88.6	Confident	94.6	Very high	114 Å²	114	50.3 Å²	50.3	43%	0.43	29%	0.286	S	S	.	.			trans	-113.3	0.5	170.6	76.3	-178.9	175.5	89	0.3	115.2	D476 M477	R135-D476 WeakPolarHBondContact CD-O 3.33Å; R135-D476 WeakPolarHBondContact CG-OD2 3.39Å; R135-D476 IonicContact NE-OD1 2.7Å; R135-D476 IonicContact NE-OD2 3.29Å; R135-D476 PolarHBondContact NE-OD2 2.7Å; R135-M477 WeakPolarHBondContact CA-SD 3.33Å; R135-M477 HydrophobicContact CB-CE 4.38Å; R135-M477 HydrophobicContact CB-CG 4.35Å; R135-M477 HydrophobicContact CB-SD 3.29Å; R135-M477 WeakPolarHBondContact CB-SD 3.34Å
136	N	87.2	Confident	95	Very high	57 Å²	57	47.8 Å²	47.8	31%	0.305	28%	0.275	S	S	.	.			trans	-94.3	116.3	-166.4	-170.6	-16.3	0	0	0	111.4	D138 L139 A140 Y393	N136-D138 VanDerWaalsContact OD1-CB 3.3Å; N136-D138 WeakPolarHBondContact OD1-CB 3.15Å; N136-D138 PolarHBondContact OD1-N 2.94Å; N136-L139 HydrophobicContact CB-CB 4.02Å; N136-L139 WeakPolarHBondContact O-CB 3.15Å; N136-L139 PolarHBondContact O-N 3.01Å; N136-A140 PolarHBondContact O-N 3.31Å; N136-Y393 PolarHBondContact ND2-OH 2.89Å; N136-Y393 VanDerWaalsContact ND2-OH 3.1Å
137	D	89.1	Confident	95.2	Very high	131 Å²	131	51.9 Å²	51.9	70%	0.701	29%	0.29	S	S	*	.	H	α-helix	trans	-66.7	-33.9	176.4	-69.3	-27.2	0	0	0	112.5	L139 A140 V141	D137-L139 PolarHBondContact O-N 2.88Å; D137-A140 WeakPolarHBondContact O-CA 3.22Å; D137-A140 WeakPolarHBondContact O-CB 3.24Å; D137-A140 PolarHBondContact O-N 3.14Å; D137-V141 PolarHBondContact O-N 3.36Å
138	D	94.9	Very high	95.4	Very high	107 Å²	107	58.6 Å²	58.6	57%	0.572	32%	0.319	S	S	*	.	H	α-helix	trans	-62.4	-35.6	175.9	-61.8	-30.3	0	0	0	111.1	N136 A140 V141 L142	N136-D138 VanDerWaalsContact OD1-CB 3.3Å; N136-D138 WeakPolarHBondContact OD1-CB 3.15Å; N136-D138 PolarHBondContact OD1-N 2.94Å; D138-A140 VanDerWaalsContact C-N 3.33Å; D138-V141 PolarHBondContact O-N 2.87Å; D138-L142 WeakPolarHBondContact O-CB 3.45Å; D138-L142 PolarHBondContact O-N 3.41Å
139	L	96.1	Very high	95.5	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-37.9	174.4	179.4	64.5	0	0	0	111.2	P134 N136 D137 V141 L142 C143 F339 T390 Y393	P134-L139 HydrophobicContact CB-CD2 3.82Å; P134-L139 HydrophobicContact CG-CD2 4.34Å; N136-L139 HydrophobicContact CB-CB 4.02Å; N136-L139 WeakPolarHBondContact O-CB 3.15Å; N136-L139 PolarHBondContact O-N 3.01Å; D137-L139 PolarHBondContact O-N 2.88Å; L139-V141 VanDerWaalsContact C-N 3.34Å; L139-L142 HydrophobicContact CD1-CD2 4.42Å; L139-L142 PolarHBondContact O-N 3.27Å; L139-C143 VanDerWaalsContact O-CB 3.31Å; L139-C143 WeakPolarHBondContact O-CB 3.42Å; L139-C143 PolarHBondContact O-N 3.39Å; L139-C143 PolarHBondContact O-SG 3.15Å; L139-C143 VanDerWaalsContact O-SG 3.37Å; L139-F339 HydrophobicContact CD2-CB 3.88Å; L139-T390 HydrophobicContact CD1-CG2 3.91Å; L139-T390 HydrophobicContact CD2-CG2 4.39Å; L139-Y393 HydrophobicContact CB-CE1 4.39Å; L139-Y393 HydrophobicContact CD1-CD1 4.01Å; L139-Y393 HydrophobicContact CD1-CE1 4.45Å
140	A	94.7	Very high	95.5	Very high	53 Å²	53	66.1 Å²	66.1	44%	0.438	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.3	0	0	0	0	0	111.4	N136 D137 D138 T144	N136-A140 PolarHBondContact O-N 3.31Å; D137-A140 WeakPolarHBondContact O-CA 3.22Å; D137-A140 WeakPolarHBondContact O-CB 3.24Å; D137-A140 PolarHBondContact O-N 3.14Å; D138-A140 VanDerWaalsContact C-N 3.33Å; A140-T144 WeakPolarHBondContact O-CB 3.35Å; A140-T144 VanDerWaalsContact O-CG2 3.26Å; A140-T144 WeakPolarHBondContact O-CG2 3.33Å; A140-T144 PolarHBondContact O-N 3.3Å; A140-T144 PolarHBondContact O-OG1 3.32Å
141	V	97.3	Very high	95.5	Very high	90 Å²	90	69.3 Å²	69.3	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-45.3	175	176	0	0	0	0	111.4	D137 D138 L139 T144 S145	D137-V141 PolarHBondContact O-N 3.36Å; D138-V141 PolarHBondContact O-N 2.87Å; L139-V141 VanDerWaalsContact C-N 3.34Å; V141-T144 WeakPolarHBondContact CA-OG1 3.5Å; V141-T144 PolarHBondContact O-OG1 2.99Å; V141-S145 WeakPolarHBondContact O-CB 3.36Å; V141-S145 PolarHBondContact O-N 3.44Å; V141-S145 PolarHBondContact O-OG 2.69Å
142	L	98	Very high	95.7	Very high	50 Å²	50	76.9 Å²	76.9	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-53.7	175.5	174.6	64.1	0	0	0	111.1	D138 L139 T144 S145 I146 A389 Y393	D138-L142 WeakPolarHBondContact O-CB 3.45Å; D138-L142 PolarHBondContact O-N 3.41Å; L139-L142 HydrophobicContact CD1-CD2 4.42Å; L139-L142 PolarHBondContact O-N 3.27Å; L142-T144 PolarHBondContact O-N 2.87Å; L142-S145 PolarHBondContact O-N 2.63Å; L142-I146 HydrophobicContact CD1-CG1 3.97Å; L142-I146 HydrophobicContact CG-CG1 4.45Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 3.25Å; L142-A389 HydrophobicContact CD2-CB 4.46Å; L142-Y393 HydrophobicContact CD2-CD2 3.88Å; L142-Y393 HydrophobicContact CD2-CG 3.73Å
143	C	97.6	Very high	95.9	Very high	12 Å²	12	75.6 Å²	75.6	8%	0.081	38%	0.38	C	S	.	.	H	α-helix	trans	-62	-41.3	-177.2	-76	0	0	0	0	112	L139 Y147 P341 T386 T390	L139-C143 VanDerWaalsContact O-CB 3.31Å; L139-C143 WeakPolarHBondContact O-CB 3.42Å; L139-C143 PolarHBondContact O-N 3.39Å; L139-C143 PolarHBondContact O-SG 3.15Å; L139-C143 VanDerWaalsContact O-SG 3.37Å; C143-Y147 WeakPolarHBondContact O-CB 3.5Å; C143-Y147 PolarHBondContact O-N 2.85Å; C143-P341 HydrophobicContact CB-CG 4Å; C143-T386 HydrophobicContact CB-CG2 4.3Å; C143-T386 WeakPolarHBondContact O-CG2 3.44Å; C143-T390 PolarHBondContact SG-OG1 2.69Å
144	T	96.8	Very high	95.9	Very high	94 Å²	94	76.1 Å²	76.1	58%	0.577	38%	0.384	S	S	*	.	H	α-helix	trans	-66.9	-37.1	177.6	50.1	0	0	0	0	112.5	A140 V141 L142 K148	A140-T144 WeakPolarHBondContact O-CB 3.35Å; A140-T144 VanDerWaalsContact O-CG2 3.26Å; A140-T144 WeakPolarHBondContact O-CG2 3.33Å; A140-T144 PolarHBondContact O-N 3.3Å; A140-T144 PolarHBondContact O-OG1 3.32Å; V141-T144 WeakPolarHBondContact CA-OG1 3.5Å; V141-T144 PolarHBondContact O-OG1 2.99Å; L142-T144 PolarHBondContact O-N 2.87Å; T144-K148 WeakPolarHBondContact O-CB 3.4Å; T144-K148 PolarHBondContact O-N 3.09Å; T144-K148 VanDerWaalsContact O-N 3.09Å
145	S	98.1	Very high	96.1	Very high	62 Å²	62	75 Å²	75	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-49.6	175.3	-56.5	0	0	0	0	111.2	V141 L142 Y147 K148 E149	V141-S145 WeakPolarHBondContact O-CB 3.36Å; V141-S145 PolarHBondContact O-N 3.44Å; V141-S145 PolarHBondContact O-OG 2.69Å; L142-S145 PolarHBondContact O-N 2.63Å; S145-Y147 PolarHBondContact O-N 3.12Å; S145-K148 WeakPolarHBondContact O-CB 3.31Å; S145-K148 PolarHBondContact O-N 3.01Å; S145-E149 PolarHBondContact O-N 3.38Å
146	I	98.4	Very high	96.4	Very high	36 Å²	36	72.2 Å²	72.2	19%	0.185	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-44.3	176.6	-65.5	-68.3	0	0	0	111	L142 K148 E149 F150 A385 T386 A389	L142-I146 HydrophobicContact CD1-CG1 3.97Å; L142-I146 HydrophobicContact CG-CG1 4.45Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 3.25Å; I146-K148 VanDerWaalsContact C-N 3.26Å; I146-K148 PolarHBondContact O-N 3.05Å; I146-E149 PolarHBondContact O-N 2.87Å; I146-F150 HydrophobicContact CG2-CD2 3.95Å; I146-F150 HydrophobicContact CG2-CE2 4.27Å; I146-F150 VanDerWaalsContact O-CD2 3.31Å; I146-F150 WeakPolarHBondContact O-CD2 3.4Å; I146-F150 PolarHBondContact O-N 2.89Å; I146-A385 HydrophobicContact CG2-CB 3.72Å; I146-T386 HydrophobicContact CB-CG2 4.06Å; I146-T386 HydrophobicContact CG2-CG2 3.83Å; I146-A389 HydrophobicContact CB-CB 4.45Å; I146-A389 HydrophobicContact CD1-CB 4.27Å; I146-A389 HydrophobicContact CG1-CB 3.79Å; I146-A389 HydrophobicContact CG2-CB 4.24Å
147	Y	98.3	Very high	96.9	Very high	87 Å²	87	72.8 Å²	72.8	34%	0.341	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-40.3	179.6	-167.4	-86.2	0	0	0	111.9	C143 S145 F150 L151 A382 L383 T386	C143-Y147 WeakPolarHBondContact O-CB 3.5Å; C143-Y147 PolarHBondContact O-N 2.85Å; S145-Y147 PolarHBondContact O-N 3.12Å; Y147-F150 PolarHBondContact O-N 2.83Å; Y147-L151 HydrophobicContact CD1-CD1 4.02Å; Y147-L151 HydrophobicContact CE1-CD1 3.44Å; Y147-L151 VanDerWaalsContact CE1-CD1 3.44Å; Y147-L151 WeakPolarHBondContact O-CA 3.26Å; Y147-L151 PolarHBondContact O-N 2.83Å; Y147-A382 HydrophobicContact CD1-CB 4.4Å; Y147-A382 HydrophobicContact CD2-CB 3.55Å; Y147-A382 HydrophobicContact CE1-CB 4.42Å; Y147-A382 HydrophobicContact CE2-CB 3.56Å; Y147-A382 HydrophobicContact CG-CB 3.98Å; Y147-L383 HydrophobicContact CD2-CD2 4.39Å; Y147-L383 HydrophobicContact CE2-CD2 3.84Å; Y147-L383 HydrophobicContact CE2-CG 4.26Å; Y147-T386 HydrophobicContact CD2-CG2 4.21Å
148	K	97.8	Very high	97.2	Very high	155 Å²	155	69.1 Å²	69.1	67%	0.674	35%	0.354	S	S	*	.	H	α-helix	trans	-61.4	-43.9	177.2	-177.8	-173.5	173.6	-168.4	0	112.1	T144 S145 I146 F150	T144-K148 WeakPolarHBondContact O-CB 3.4Å; T144-K148 PolarHBondContact O-N 3.09Å; T144-K148 VanDerWaalsContact O-N 3.09Å; S145-K148 WeakPolarHBondContact O-CB 3.31Å; S145-K148 PolarHBondContact O-N 3.01Å; I146-K148 VanDerWaalsContact C-N 3.26Å; I146-K148 PolarHBondContact O-N 3.05Å; K148-F150 VanDerWaalsContact C-N 3.32Å; K148-F150 PolarHBondContact O-N 3.2Å
149	E	98	Very high	97.2	Very high	142 Å²	142	70 Å²	70	66%	0.664	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-36.9	-179.9	-64	-55.9	142	0	0	112.3	S145 I146	S145-E149 PolarHBondContact O-N 3.38Å; I146-E149 PolarHBondContact O-N 2.87Å
150	F	98.3	Very high	97.3	Very high	32 Å²	32	75.5 Å²	75.5	14%	0.14	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	12.8	-174.5	-65.2	-76.7	0	0	0	114.3	I146 Y147 K148 W152 T153 D163 I164 M167 A382 A385	I146-F150 HydrophobicContact CG2-CD2 3.95Å; I146-F150 HydrophobicContact CG2-CE2 4.27Å; I146-F150 VanDerWaalsContact O-CD2 3.31Å; I146-F150 WeakPolarHBondContact O-CD2 3.4Å; I146-F150 PolarHBondContact O-N 2.89Å; Y147-F150 PolarHBondContact O-N 2.83Å; K148-F150 VanDerWaalsContact C-N 3.32Å; K148-F150 PolarHBondContact O-N 3.2Å; F150-W152 PolarHBondContact O-N 2.85Å; F150-T153 HydrophobicContact CB-CG2 4.23Å; F150-T153 HydrophobicContact CD1-CG2 3.97Å; F150-T153 WeakPolarHBondContact O-CB 3.33Å; F150-T153 PolarHBondContact O-N 3.01Å; F150-T153 PolarHBondContact O-OG1 2.99Å; F150-D163 HydrophobicContact CE1-CB 4.36Å; F150-I164 HydrophobicContact CB-CD1 4.21Å; F150-I164 HydrophobicContact CD1-CD1 3.42Å; F150-I164 VanDerWaalsContact CD1-CD1 3.42Å; F150-I164 HydrophobicContact CD1-CG1 4.21Å; F150-I164 HydrophobicContact CE1-CD1 3.97Å; F150-I164 HydrophobicContact CG-CD1 3.9Å; F150-M167 HydrophobicContact CE1-CE 4.14Å; F150-M167 HydrophobicContact CE2-CE 4Å; F150-M167 HydrophobicContact CZ-CE 3.51Å; F150-M167 HydrophobicContact CZ-SD 4.39Å; F150-A382 HydrophobicContact CB-CB 4.19Å; F150-A382 WeakPolarHBondContact O-CB 3.25Å; F150-A385 HydrophobicContact CB-CB 4Å; F150-A385 HydrophobicContact CD1-CB 4.42Å; F150-A385 HydrophobicContact CD2-CB 3.42Å; F150-A385 VanDerWaalsContact CD2-CB 3.42Å; F150-A385 HydrophobicContact CE2-CB 3.99Å; F150-A385 HydrophobicContact CG-CB 3.68Å
151	L	97.3	Very high	97.4	Very high	72 Å²	72	75 Å²	75	38%	0.377	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.6	-170.6	-177.7	65.7	0	0	0	114	Y147	Y147-L151 HydrophobicContact CD1-CD1 4.02Å; Y147-L151 HydrophobicContact CE1-CD1 3.44Å; Y147-L151 VanDerWaalsContact CE1-CD1 3.44Å; Y147-L151 WeakPolarHBondContact O-CA 3.26Å; Y147-L151 PolarHBondContact O-N 2.83Å
152	W	97.4	Very high	97.5	Very high	222 Å²	222	74.6 Å²	74.6	84%	0.841	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	3.2	-173.3	-56.1	117.4	0	0	0	114.5	F150	F150-W152 PolarHBondContact O-N 2.85Å
153	T	98.2	Very high	97.5	Very high	15 Å²	15	75.7 Å²	75.7	9%	0.092	38%	0.375	C	S	.	.			trans	-80.1	139.1	-174.6	62	0	0	0	0	112.1	F150 F161 I164 G381 A382	F150-T153 HydrophobicContact CB-CG2 4.23Å; F150-T153 HydrophobicContact CD1-CG2 3.97Å; F150-T153 WeakPolarHBondContact O-CB 3.33Å; F150-T153 PolarHBondContact O-N 3.01Å; F150-T153 PolarHBondContact O-OG1 2.99Å; T153-F161 HydrophobicContact CG2-CD1 3.47Å; T153-F161 VanDerWaalsContact CG2-CD1 3.47Å; T153-F161 HydrophobicContact CG2-CE1 3.75Å; T153-F161 HydrophobicContact CG2-CG 4.24Å; T153-I164 HydrophobicContact CG2-CG1 4.02Å; T153-I164 WeakPolarHBondContact OG1-CG1 3.38Å; T153-G381 PolarHBondContact O-N 2.77Å; T153-G381 VanDerWaalsContact OG1-C 3.28Å; T153-G381 WeakPolarHBondContact OG1-CA 3.21Å; T153-A382 PolarHBondContact OG1-N 2.8Å
154	N	98.1	Very high	97.5	Very high	25 Å²	25	75.1 Å²	75.1	13%	0.134	37%	0.371	C	S	.	.			trans	-134.6	109.9	-179.8	178.3	9.4	0	0	0	110.4	L156 H157 F161 S378 R379	N154-L156 PolarHBondContact O-N 3.44Å; N154-L156 WeakPolarHBondContact OD1-CB 3.15Å; N154-L156 PolarHBondContact OD1-N 3.39Å; N154-H157 PolarHBondContact O-N 3.19Å; N154-F161 HydrophobicContact CB-CE2 4.19Å; N154-F161 WeakPolarHBondContact O-CD2 3.45Å; N154-S378 WeakPolarHBondContact ND2-CB 3.23Å; N154-S378 PolarHBondContact ND2-OG 2.67Å; N154-S378 WeakPolarHBondContact OD1-CA 3.35Å; N154-R379 WeakPolarHBondContact CA-O 3.37Å; N154-R379 PolarHBondContact OD1-N 2.77Å; N154-R379 PolarHBondContact OD1-O 2.79Å
155	P	97.1	Very high	97.6	Very high	15 Å²	15	76.6 Å²	76.6	10%	0.097	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-1.7	-175.3	32	-37.7	0	0	0	114	H157 I164 R379 I384	P155-H157 PolarHBondContact O-N 3.15Å; P155-I164 HydrophobicContact CB-CG2 4.01Å; P155-R379 VanDerWaalsContact CD-O 3.24Å; P155-R379 WeakPolarHBondContact CD-O 3.35Å; P155-R379 HydrophobicContact CG-CB 3.74Å; P155-I384 HydrophobicContact CB-CD1 4.23Å; P155-I384 HydrophobicContact CG-CD1 3.88Å
156	L	96.8	Very high	97.6	Very high	55 Å²	55	81 Å²	81	29%	0.288	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	165.4	-174.6	63.4	0	0	0	112.3	N154 P158 Y370	N154-L156 PolarHBondContact O-N 3.44Å; N154-L156 WeakPolarHBondContact OD1-CB 3.15Å; N154-L156 PolarHBondContact OD1-N 3.39Å; L156-P158 WeakPolarHBondContact O-CD 3.14Å; L156-Y370 HydrophobicContact CD1-CE2 4.47Å
157	H	96.9	Very high	97.6	Very high	69 Å²	69	80.6 Å²	80.6	32%	0.319	37%	0.371	S	S	.	.			trans	-111.9	68.3	178.9	-54.8	-74.2	0	0	0	110.7	N154 P155 E159 L160 F161	N154-H157 PolarHBondContact O-N 3.19Å; P155-H157 PolarHBondContact O-N 3.15Å; H157-E159 VanDerWaalsContact C-OE2 3.3Å; H157-E159 IonicContact ND1-OE1 3.8Å; H157-E159 PolarHBondContact O-N 3.47Å; H157-E159 VanDerWaalsContact O-N 3.15Å; H157-L160 HydrophobicContact CB-CB 4.05Å; H157-L160 HydrophobicContact CB-CD1 3.92Å; H157-L160 HydrophobicContact CB-CG 4.06Å; H157-L160 PolarHBondContact O-N 3.48Å; H157-F161 HydrophobicContact CB-CD2 4.07Å; H157-F161 HydrophobicContact CB-CE2 4.16Å; H157-F161 PolarHBondContact O-N 3.39Å
158	P	95.1	Very high	97.6	Very high	54 Å²	54	77.7 Å²	77.7	35%	0.351	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	-175.4	28	-37.2	0	0	0	114	L156 V162 R165	L156-P158 WeakPolarHBondContact O-CD 3.14Å; P158-V162 WeakPolarHBondContact O-CG2 3.46Å; P158-R165 HydrophobicContact CB-CB 4.35Å; P158-R165 HydrophobicContact CB-CG 4.07Å
159	E	95.6	Very high	97.6	Very high	126 Å²	126	72.7 Å²	72.7	59%	0.589	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-29.6	172.5	70.5	-71.5	170.6	0	0	113.2	H157	H157-E159 VanDerWaalsContact C-OE2 3.3Å; H157-E159 IonicContact ND1-OE1 3.8Å; H157-E159 PolarHBondContact O-N 3.47Å; H157-E159 VanDerWaalsContact O-N 3.15Å
160	L	97.2	Very high	97.7	Very high	119 Å²	119	68.5 Å²	68.5	62%	0.623	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-42.5	175.8	-61.9	-177.7	0	0	0	111.1	H157	H157-L160 HydrophobicContact CB-CB 4.05Å; H157-L160 HydrophobicContact CB-CD1 3.92Å; H157-L160 HydrophobicContact CB-CG 4.06Å; H157-L160 PolarHBondContact O-N 3.48Å
161	F	98	Very high	97.7	Very high	44 Å²	44	67 Å²	67	19%	0.193	32%	0.322	C	S	.	.			trans	-111	61	-174.6	-51.3	-69.6	0	0	0	111.3	T153 N154 H157 D163 I164 R165	T153-F161 HydrophobicContact CG2-CD1 3.47Å; T153-F161 VanDerWaalsContact CG2-CD1 3.47Å; T153-F161 HydrophobicContact CG2-CE1 3.75Å; T153-F161 HydrophobicContact CG2-CG 4.24Å; N154-F161 HydrophobicContact CB-CE2 4.19Å; N154-F161 WeakPolarHBondContact O-CD2 3.45Å; H157-F161 HydrophobicContact CB-CD2 4.07Å; H157-F161 HydrophobicContact CB-CE2 4.16Å; H157-F161 PolarHBondContact O-N 3.39Å; F161-D163 WeakPolarHBondContact CA-OD1 3.42Å; F161-D163 PolarHBondContact O-N 2.89Å; F161-I164 HydrophobicContact CB-CB 4.15Å; F161-I164 HydrophobicContact CB-CG1 4.21Å; F161-I164 PolarHBondContact O-N 2.78Å; F161-R165 PolarHBondContact O-N 2.73Å
162	V	97.9	Very high	97.8	Very high	81 Å²	81	64.3 Å²	64.3	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-31.2	-179.9	-177.4	0	0	0	0	111.5	P158 R166	P158-V162 WeakPolarHBondContact O-CG2 3.46Å; V162-R166 WeakPolarHBondContact O-CB 3.47Å; V162-R166 PolarHBondContact O-N 3.15Å
163	D	97.9	Very high	97.8	Very high	73 Å²	73	58.5 Å²	58.5	39%	0.39	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-54.3	172.8	48.1	8.2	0	0	0	112.2	F150 F161 R165 R166 M167	F150-D163 HydrophobicContact CE1-CB 4.36Å; F161-D163 WeakPolarHBondContact CA-OD1 3.42Å; F161-D163 PolarHBondContact O-N 2.89Å; D163-R165 VanDerWaalsContact C-N 3.34Å; D163-R165 PolarHBondContact O-N 3.15Å; D163-R166 WeakPolarHBondContact O-CB 3.41Å; D163-R166 PolarHBondContact O-N 3.1Å; D163-R166 VanDerWaalsContact O-N 3.13Å; D163-M167 WeakPolarHBondContact O-CG 3.33Å; D163-M167 PolarHBondContact O-N 2.95Å
164	I	98.4	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-42.6	177.4	-63	-52.2	0	0	0	110.5	F150 T153 P155 F161 R166 M167 E168 G381 I384 A385	F150-I164 HydrophobicContact CB-CD1 4.21Å; F150-I164 HydrophobicContact CD1-CD1 3.42Å; F150-I164 VanDerWaalsContact CD1-CD1 3.42Å; F150-I164 HydrophobicContact CD1-CG1 4.21Å; F150-I164 HydrophobicContact CE1-CD1 3.97Å; F150-I164 HydrophobicContact CG-CD1 3.9Å; T153-I164 HydrophobicContact CG2-CG1 4.02Å; T153-I164 WeakPolarHBondContact OG1-CG1 3.38Å; P155-I164 HydrophobicContact CB-CG2 4.01Å; F161-I164 HydrophobicContact CB-CB 4.15Å; F161-I164 HydrophobicContact CB-CG1 4.21Å; F161-I164 PolarHBondContact O-N 2.78Å; I164-R166 PolarHBondContact O-N 3.06Å; I164-M167 HydrophobicContact CD1-SD 4.3Å; I164-M167 PolarHBondContact O-N 3.23Å; I164-E168 WeakPolarHBondContact O-CB 3.42Å; I164-E168 PolarHBondContact O-N 3.15Å; I164-G381 WeakPolarHBondContact CD1-O 3.4Å; I164-I384 HydrophobicContact CG2-CB 4.23Å; I164-I384 HydrophobicContact CG2-CD1 3.93Å; I164-I384 HydrophobicContact CG2-CG2 4.22Å; I164-A385 HydrophobicContact CD1-CB 3.9Å
165	R	97.9	Very high	97.9	Very high	125 Å²	125	59 Å²	59	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-40	175.3	-171.5	-151.6	67.8	81.4	0.7	111.4	P158 F161 D163 A169	P158-R165 HydrophobicContact CB-CB 4.35Å; P158-R165 HydrophobicContact CB-CG 4.07Å; F161-R165 PolarHBondContact O-N 2.73Å; D163-R165 VanDerWaalsContact C-N 3.34Å; D163-R165 PolarHBondContact O-N 3.15Å; R165-A169 PolarHBondContact O-N 2.81Å
166	R	98.4	Very high	98	Very high	155 Å²	155	58.3 Å²	58.3	59%	0.585	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-52	174.9	175.2	-179.7	175.8	173.7	-1.2	111.2	V162 D163 I164 E168 A169 E170	V162-R166 WeakPolarHBondContact O-CB 3.47Å; V162-R166 PolarHBondContact O-N 3.15Å; D163-R166 WeakPolarHBondContact O-CB 3.41Å; D163-R166 PolarHBondContact O-N 3.1Å; D163-R166 VanDerWaalsContact O-N 3.13Å; I164-R166 PolarHBondContact O-N 3.06Å; R166-E168 VanDerWaalsContact C-N 3.28Å; R166-E168 PolarHBondContact O-N 3.38Å; R166-A169 PolarHBondContact O-N 2.94Å; R166-E170 HydrophobicContact CG-CG 4.46Å; R166-E170 WeakPolarHBondContact CG-OE1 3.45Å; R166-E170 IonicContact CZ-OE1 3.38Å; R166-E170 IonicContact NE-OE1 3.62Å; R166-E170 PolarHBondContact NE-OE1 3.26Å; R166-E170 IonicContact NH2-OE1 3.9Å; R166-E170 PolarHBondContact NH2-OE1 3.47Å; R166-E170 WeakPolarHBondContact O-CG 3.29Å; R166-E170 PolarHBondContact O-N 3.14Å
167	M	98.7	Very high	98	Very high	26 Å²	26	59.9 Å²	59.9	13%	0.128	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-41	179.7	-69.2	179.9	-171.3	0	0	111.8	F150 D163 I164 E170 V171 I384 A385 W388	F150-M167 HydrophobicContact CE1-CE 4.14Å; F150-M167 HydrophobicContact CE2-CE 4Å; F150-M167 HydrophobicContact CZ-CE 3.51Å; F150-M167 HydrophobicContact CZ-SD 4.39Å; D163-M167 WeakPolarHBondContact O-CG 3.33Å; D163-M167 PolarHBondContact O-N 2.95Å; I164-M167 HydrophobicContact CD1-SD 4.3Å; I164-M167 PolarHBondContact O-N 3.23Å; M167-E170 PolarHBondContact O-N 3.41Å; M167-V171 VanDerWaalsContact O-CG2 3.32Å; M167-V171 WeakPolarHBondContact O-CG2 3.12Å; M167-V171 PolarHBondContact O-N 2.96Å; M167-I384 HydrophobicContact CB-CG2 4.29Å; M167-A385 HydrophobicContact SD-CB 3.7Å; M167-W388 HydrophobicContact CB-CB 3.97Å; M167-W388 HydrophobicContact CB-CG 3.9Å; M167-W388 HydrophobicContact CE-CE3 4.46Å; M167-W388 HydrophobicContact CG-CB 4.26Å; M167-W388 HydrophobicContact CG-CD2 4.04Å; M167-W388 HydrophobicContact CG-CG 3.87Å; M167-W388 HydrophobicContact SD-CB 4.45Å; M167-W388 HydrophobicContact SD-CD2 4.39Å; M167-W388 HydrophobicContact SD-CE3 4.38Å; M167-W388 HydrophobicContact SD-CG 4.42Å
168	E	98.4	Very high	98.1	Very high	26 Å²	26	58 Å²	58	12%	0.121	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-47.1	176.9	-166.2	173.1	-171.5	0	0	111.9	I164 R166 E170 V171 V172 T189 R379 I384	I164-E168 WeakPolarHBondContact O-CB 3.42Å; I164-E168 PolarHBondContact O-N 3.15Å; R166-E168 VanDerWaalsContact C-N 3.28Å; R166-E168 PolarHBondContact O-N 3.38Å; E168-E170 VanDerWaalsContact C-N 3.34Å; E168-E170 PolarHBondContact O-N 2.99Å; E168-V171 PolarHBondContact O-N 3.22Å; E168-V172 WeakPolarHBondContact O-CG2 3.32Å; E168-V172 PolarHBondContact O-N 3.23Å; E168-T189 HydrophobicContact CG-CG2 3.55Å; E168-T189 PolarHBondContact OE1-OG1 3.39Å; E168-R379 VanDerWaalsContact CD-NH2 3.27Å; E168-R379 IonicContact OE1-CZ 3.91Å; E168-R379 VanDerWaalsContact OE1-CZ 3.29Å; E168-R379 IonicContact OE1-NH1 2.88Å; E168-R379 PolarHBondContact OE1-NH1 3.05Å; E168-R379 IonicContact OE1-NH2 3.15Å; E168-R379 PolarHBondContact OE1-NH2 3.39Å; E168-R379 IonicContact OE2-CZ 3.48Å; E168-R379 IonicContact OE2-NH1 3.62Å; E168-R379 IonicContact OE2-NH2 3.72Å; E168-R379 PolarHBondContact OE2-NH2 3.41Å; E168-I384 HydrophobicContact CB-CD1 4.38Å; E168-I384 HydrophobicContact CB-CG2 3.79Å; E168-I384 HydrophobicContact CG-CD1 4.16Å; E168-I384 HydrophobicContact CG-CG2 4.28Å
169	A	98.6	Very high	98.3	Very high	51 Å²	51	55.5 Å²	55.5	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-39	178.2	0	0	0	0	0	112.1	R165 R166 R173	R165-A169 PolarHBondContact O-N 2.81Å; R166-A169 PolarHBondContact O-N 2.94Å; A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.03Å
170	E	98.8	Very high	98.4	Very high	54 Å²	54	53.9 Å²	53.9	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-43.6	176.2	-72.3	175.8	-178.7	0	0	111.6	R166 M167 E168 V172 R173 M174 W388	R166-E170 HydrophobicContact CG-CG 4.46Å; R166-E170 WeakPolarHBondContact CG-OE1 3.45Å; R166-E170 IonicContact CZ-OE1 3.38Å; R166-E170 IonicContact NE-OE1 3.62Å; R166-E170 PolarHBondContact NE-OE1 3.26Å; R166-E170 IonicContact NH2-OE1 3.9Å; R166-E170 PolarHBondContact NH2-OE1 3.47Å; R166-E170 WeakPolarHBondContact O-CG 3.29Å; R166-E170 PolarHBondContact O-N 3.14Å; M167-E170 PolarHBondContact O-N 3.41Å; E168-E170 VanDerWaalsContact C-N 3.34Å; E168-E170 PolarHBondContact O-N 2.99Å; E170-V172 PolarHBondContact O-N 3.41Å; E170-R173 PolarHBondContact O-N 3.21Å; E170-M174 WeakPolarHBondContact O-CB 3.49Å; E170-M174 WeakPolarHBondContact O-CG 3.2Å; E170-M174 PolarHBondContact O-N 3.23Å; E170-W388 PolarHBondContact OE2-NE1 3.33Å
171	V	98.8	Very high	98.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-50.2	173.8	166.1	0	0	0	0	111	M167 E168 R173 M174 C175 T189 V346 W388 M391	M167-V171 VanDerWaalsContact O-CG2 3.32Å; M167-V171 WeakPolarHBondContact O-CG2 3.12Å; M167-V171 PolarHBondContact O-N 2.96Å; E168-V171 PolarHBondContact O-N 3.22Å; V171-R173 PolarHBondContact O-N 3.1Å; V171-M174 HydrophobicContact CG2-CE 4.33Å; V171-M174 PolarHBondContact O-N 3.09Å; V171-C175 PolarHBondContact O-N 2.86Å; V171-C175 VanDerWaalsContact O-N 3.08Å; V171-C175 PolarHBondContact O-SG 3.44Å; V171-T189 HydrophobicContact CB-CG2 4.41Å; V171-T189 HydrophobicContact CG1-CG2 3.95Å; V171-V346 HydrophobicContact CG1-CG2 3.94Å; V171-W388 HydrophobicContact CG2-CB 3.77Å; V171-W388 HydrophobicContact CG2-CG 4.44Å; V171-M391 HydrophobicContact CB-SD 4.37Å; V171-M391 HydrophobicContact CG1-SD 4.03Å; V171-M391 HydrophobicContact CG2-SD 4.07Å
172	V	98.8	Very high	98.4	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.085	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-47.1	178.4	171.6	0	0	0	0	110.8	E168 E170 C175 V176 T189 V346	E168-V172 WeakPolarHBondContact O-CG2 3.32Å; E168-V172 PolarHBondContact O-N 3.23Å; E170-V172 PolarHBondContact O-N 3.41Å; V172-C175 PolarHBondContact O-N 3.37Å; V172-V176 HydrophobicContact CG1-CG2 4.34Å; V172-V176 WeakPolarHBondContact O-CG2 3.25Å; V172-V176 PolarHBondContact O-N 3.02Å; V172-T189 HydrophobicContact CG2-CG2 3.9Å; V172-V346 HydrophobicContact CG2-CG1 4.34Å
173	R	98.7	Very high	98.4	Very high	101 Å²	101	55 Å²	55	38%	0.381	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-40.3	-177.9	-179.3	52.7	64	-176.5	1	112	A169 E170 V171 C175 V176 T177 D182 K183 A185	A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.03Å; E170-R173 PolarHBondContact O-N 3.21Å; V171-R173 PolarHBondContact O-N 3.1Å; R173-C175 VanDerWaalsContact C-N 3.35Å; R173-C175 PolarHBondContact O-N 2.77Å; R173-V176 PolarHBondContact O-N 3.46Å; R173-T177 PolarHBondContact O-N 2.83Å; R173-T177 PolarHBondContact O-OG1 2.93Å; R173-D182 PolarHBondContact NH1-O 3.28Å; R173-D182 VanDerWaalsContact NH1-O 3.12Å; R173-K183 PolarHBondContact NH2-O 3.23Å; R173-A185 PolarHBondContact NH1-O 3.29Å; R173-A185 PolarHBondContact NH2-O 3.41Å
174	M	98.8	Very high	98.4	Very high	50 Å²	50	55.9 Å²	55.9	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-46.2	174.2	-75.9	-171.5	-71.8	0	0	111.5	E170 V171 T177 M178 M391 M392	E170-M174 WeakPolarHBondContact O-CB 3.49Å; E170-M174 WeakPolarHBondContact O-CG 3.2Å; E170-M174 PolarHBondContact O-N 3.23Å; V171-M174 HydrophobicContact CG2-CE 4.33Å; V171-M174 PolarHBondContact O-N 3.09Å; M174-T177 PolarHBondContact O-N 2.86Å; M174-M178 VanDerWaalsContact O-CG 3.29Å; M174-M178 WeakPolarHBondContact O-CG 2.97Å; M174-M178 PolarHBondContact O-N 3.16Å; M174-M391 HydrophobicContact CB-CE 3.43Å; M174-M391 VanDerWaalsContact CB-CE 3.43Å; M174-M391 HydrophobicContact CE-CB 3.83Å; M174-M391 HydrophobicContact CE-CE 3.64Å; M174-M391 HydrophobicContact CE-CG 4.39Å; M174-M391 HydrophobicContact CE-SD 3.69Å; M174-M391 HydrophobicContact CG-CE 4.29Å; M174-M391 HydrophobicContact SD-CB 4.24Å; M174-M391 HydrophobicContact SD-CE 3.92Å; M174-M392 HydrophobicContact CE-CE 3.43Å; M174-M392 VanDerWaalsContact CE-CE 3.43Å; M174-M392 HydrophobicContact SD-CE 3.27Å; M174-M392 WeakPolarHBondContact SD-CE 3.47Å
175	C	98.8	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-46.2	174.6	-68.9	0	0	0	0	111.5	V171 V172 R173 T177 M178 F179 V346 M348	V171-C175 PolarHBondContact O-N 2.86Å; V171-C175 VanDerWaalsContact O-N 3.08Å; V171-C175 PolarHBondContact O-SG 3.44Å; V172-C175 PolarHBondContact O-N 3.37Å; R173-C175 VanDerWaalsContact C-N 3.35Å; R173-C175 PolarHBondContact O-N 2.77Å; C175-T177 VanDerWaalsContact C-N 3.28Å; C175-T177 PolarHBondContact O-N 3.26Å; C175-M178 WeakPolarHBondContact O-CB 3.43Å; C175-M178 PolarHBondContact O-N 3.46Å; C175-M178 VanDerWaalsContact O-N 3.16Å; C175-F179 VanDerWaalsContact O-CD2 3.31Å; C175-F179 WeakPolarHBondContact O-CD2 3.48Å; C175-F179 PolarHBondContact O-N 3.49Å; C175-F179 VanDerWaalsContact O-N 3.09Å; C175-V346 HydrophobicContact CB-CB 4.49Å; C175-V346 HydrophobicContact CB-CG1 4.19Å; C175-M348 VanDerWaalsContact C-SD 3.5Å; C175-M348 HydrophobicContact CB-SD 3.83Å
176	V	98.8	Very high	98.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-43.7	177	170.3	0	0	0	0	111.3	V172 R173 F179 H180 G181 A185 M348	V172-V176 HydrophobicContact CG1-CG2 4.34Å; V172-V176 WeakPolarHBondContact O-CG2 3.25Å; V172-V176 PolarHBondContact O-N 3.02Å; R173-V176 PolarHBondContact O-N 3.46Å; V176-F179 CarbonylContact O-C 3.46Å; V176-F179 PolarHBondContact O-N 2.9Å; V176-H180 PolarHBondContact O-N 2.68Å; V176-G181 PolarHBondContact O-N 3.34Å; V176-A185 HydrophobicContact CG1-CB 3.56Å; V176-M348 HydrophobicContact CG2-CB 4.39Å; V176-M348 HydrophobicContact CG2-CG 3.9Å; V176-M348 HydrophobicContact CG2-SD 4.03Å
177	T	98.4	Very high	98.4	Very high	88 Å²	88	43.1 Å²	43.1	54%	0.54	22%	0.223	S	C	.	.	H	α-helix	trans	-64.8	-42.7	176.9	-63.4	0	0	0	0	112.2	R173 M174 C175 F179 H180	R173-T177 PolarHBondContact O-N 2.83Å; R173-T177 PolarHBondContact O-OG1 2.93Å; M174-T177 PolarHBondContact O-N 2.86Å; C175-T177 VanDerWaalsContact C-N 3.28Å; C175-T177 PolarHBondContact O-N 3.26Å; T177-F179 PolarHBondContact O-N 2.73Å; T177-H180 PolarHBondContact O-N 2.91Å
178	M	98	Very high	98.4	Very high	31 Å²	31	42.4 Å²	42.4	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-34.7	175.4	-73.6	168.8	50.4	0	0	112.5	M174 C175 H180 F305 P308 F309 M391	M174-M178 VanDerWaalsContact O-CG 3.29Å; M174-M178 WeakPolarHBondContact O-CG 2.97Å; M174-M178 PolarHBondContact O-N 3.16Å; C175-M178 WeakPolarHBondContact O-CB 3.43Å; C175-M178 PolarHBondContact O-N 3.46Å; C175-M178 VanDerWaalsContact O-N 3.16Å; M178-H180 VanDerWaalsContact C-N 3.33Å; M178-F305 HydrophobicContact CE-CD1 3.66Å; M178-F305 HydrophobicContact CE-CD2 4.45Å; M178-F305 HydrophobicContact CE-CE1 3.67Å; M178-F305 HydrophobicContact CE-CE2 4.44Å; M178-F305 HydrophobicContact CE-CG 4.06Å; M178-F305 HydrophobicContact CE-CZ 4.06Å; M178-F305 HydrophobicContact SD-CD1 4.36Å; M178-F305 HydrophobicContact SD-CE1 3.82Å; M178-F305 HydrophobicContact SD-CZ 4.18Å; M178-P308 HydrophobicContact CB-CB 4.29Å; M178-P308 HydrophobicContact CB-CG 4.45Å; M178-P308 HydrophobicContact CE-CB 4.4Å; M178-P308 HydrophobicContact CE-CG 4.17Å; M178-F309 HydrophobicContact CE-CE2 3.62Å; M178-F309 HydrophobicContact CE-CZ 3.63Å; M178-F309 HydrophobicContact CG-CZ 4.34Å; M178-F309 HydrophobicContact SD-CZ 4.1Å; M178-M391 HydrophobicContact SD-CE 4.34Å
179	F	98.5	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	20.6	179.3	-75.6	-94.2	0	0	0	113.2	C175 V176 T177 G181 C300 G304 P308 F320 D321 F322 I330 C332 M348	C175-F179 VanDerWaalsContact O-CD2 3.31Å; C175-F179 WeakPolarHBondContact O-CD2 3.48Å; C175-F179 PolarHBondContact O-N 3.49Å; C175-F179 VanDerWaalsContact O-N 3.09Å; V176-F179 CarbonylContact O-C 3.46Å; V176-F179 PolarHBondContact O-N 2.9Å; T177-F179 PolarHBondContact O-N 2.73Å; F179-G181 PolarHBondContact O-N 3.16Å; F179-G181 VanDerWaalsContact O-N 3.09Å; F179-C300 HydrophobicContact CE1-CB 3.99Å; F179-C300 HydrophobicContact CZ-CB 4.19Å; F179-G304 WeakPolarHBondContact CZ-O 3.38Å; F179-P308 HydrophobicContact CD2-CG 4.38Å; F179-P308 HydrophobicContact CE1-CG 4.31Å; F179-P308 HydrophobicContact CE2-CG 4.08Å; F179-P308 HydrophobicContact CZ-CG 4.08Å; F179-F320 HydrophobicContact CD1-CD2 4.43Å; F179-F320 AromaticContact CD1-CE2 3.84Å; F179-F320 HydrophobicContact CD1-CE2 3.84Å; F179-F320 HydrophobicContact CE1-CD2 4.24Å; F179-F320 AromaticContact CE1-CE2 3.67Å; F179-F320 HydrophobicContact CE1-CE2 3.67Å; F179-D321 HydrophobicContact CB-CB 4.17Å; F179-D321 HydrophobicContact CD1-CB 3.85Å; F179-D321 HydrophobicContact CG-CB 4.5Å; F179-D321 WeakPolarHBondContact O-CB 3.29Å; F179-F322 HydrophobicContact CB-CD2 4.13Å; F179-F322 HydrophobicContact CB-CE2 4.46Å; F179-F322 WeakPolarHBondContact O-CB 3.46Å; F179-F322 PolarHBondContact O-N 2.98Å; F179-I330 HydrophobicContact CB-CD1 4.09Å; F179-I330 HydrophobicContact CD1-CD1 3.71Å; F179-I330 HydrophobicContact CD1-CG2 3.89Å; F179-I330 HydrophobicContact CE1-CD1 4.49Å; F179-I330 HydrophobicContact CE1-CG2 3.67Å; F179-I330 HydrophobicContact CG-CD1 4.21Å; F179-I330 HydrophobicContact CZ-CG2 4.2Å; F179-C332 HydrophobicContact CE2-CB 4Å; F179-C332 HydrophobicContact CZ-CB 4.12Å; F179-M348 HydrophobicContact CB-CE 4.36Å; F179-M348 HydrophobicContact CB-SD 4.36Å; F179-M348 HydrophobicContact CD1-CE 4.47Å; F179-M348 HydrophobicContact CD2-CE 3.5Å; F179-M348 HydrophobicContact CD2-SD 4.07Å; F179-M348 HydrophobicContact CE2-CE 3.74Å; F179-M348 HydrophobicContact CG-CE 3.87Å; F179-M348 HydrophobicContact CG-SD 4.43Å; F179-M348 HydrophobicContact CZ-CE 4.29Å
180	H	98.2	Very high	98.4	Very high	93 Å²	93	39.4 Å²	39.4	43%	0.431	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	29.4	175.9	-54.9	94	0	0	0	114	V176 T177 M178 D321 R323	V176-H180 PolarHBondContact O-N 2.68Å; T177-H180 PolarHBondContact O-N 2.91Å; M178-H180 VanDerWaalsContact C-N 3.33Å; H180-D321 IonicContact CE1-OD2 2.87Å; H180-D321 IonicContact CG-OD2 3.3Å; H180-D321 IonicContact ND1-OD1 3.47Å; H180-D321 IonicContact ND1-OD2 3.85Å; H180-D321 PolarHBondContact ND1-OD2 3.28Å; H180-R323 HydrophobicContact CB-CG 3.64Å; H180-R323 PolarHBondContact ND1-NE 3.01Å
181	G	98.4	Very high	98.4	Very high	14 Å²	14	40.1 Å²	40.1	14%	0.144	21%	0.209	C	C	.	.			trans	-70.1	137.9	171.6	0	0	0	0	0	110.5	V176 F179	V176-G181 PolarHBondContact O-N 3.34Å; F179-G181 PolarHBondContact O-N 3.16Å; F179-G181 VanDerWaalsContact O-N 3.09Å
182	D	97	Very high	98.4	Very high	80 Å²	80	40.5 Å²	40.5	43%	0.428	21%	0.213	S	C	.	.			trans	-71.5	-170.2	177.5	62.6	28.4	0	0	0	112.4	R173 D184 A185	R173-D182 PolarHBondContact NH1-O 3.28Å; R173-D182 VanDerWaalsContact NH1-O 3.12Å; D182-D184 PolarHBondContact O-N 3.21Å; D182-D184 WeakPolarHBondContact OD1-CA 3.19Å; D182-D184 WeakPolarHBondContact OD1-CB 3.26Å; D182-D184 PolarHBondContact OD1-N 3.12Å; D182-A185 PolarHBondContact O-N 2.86Å; D182-A185 PolarHBondContact OD1-N 3.34Å
183	K	97.1	Very high	98.4	Very high	174 Å²	174	40.1 Å²	40.1	76%	0.757	21%	0.212	S	C	*	.	S	Bend	trans	-63.4	-26.4	178	62.8	173.1	-173.4	169.6	0	113.2	R173	R173-K183 PolarHBondContact NH2-O 3.23Å
184	D	98.1	Very high	98.4	Very high	90 Å²	90	37.8 Å²	37.8	48%	0.481	21%	0.209	S	C	.	.	S	Bend	trans	-86.2	-27.6	-176.6	-61.3	-32.4	0	0	0	110.9	D182 R350 N351	D182-D184 PolarHBondContact O-N 3.21Å; D182-D184 WeakPolarHBondContact OD1-CA 3.19Å; D182-D184 WeakPolarHBondContact OD1-CB 3.26Å; D182-D184 PolarHBondContact OD1-N 3.12Å; D184-R350 CarbonylContact C-O 3.55Å; D184-N351 WeakPolarHBondContact O-CA 3.46Å
185	A	98.7	Very high	98.4	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	20%	0.2	C	C	.	.			trans	-55.6	138.6	171.1	0	0	0	0	0	111.7	R173 V176 D182 Y349 R350	R173-A185 PolarHBondContact NH1-O 3.29Å; R173-A185 PolarHBondContact NH2-O 3.41Å; V176-A185 HydrophobicContact CG1-CB 3.56Å; D182-A185 PolarHBondContact O-N 2.86Å; D182-A185 PolarHBondContact OD1-N 3.34Å; A185-Y349 WeakPolarHBondContact CA-O 3.32Å; A185-R350 VanDerWaalsContact CA-O 3.23Å; A185-R350 WeakPolarHBondContact CA-O 3.28Å; A185-R350 PolarHBondContact N-O 2.96Å
186	C	98.8	Very high	98.4	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	178.9	-169.7	67.3	0	0	0	0	110.8	M348 Y349 N351 Q352 R355	C186-M348 CarbonylContact O-C 3.6Å; C186-M348 VanDerWaalsContact O-CA 3.31Å; C186-M348 WeakPolarHBondContact O-CA 3.49Å; C186-Y349 PolarHBondContact N-O 3.27Å; C186-Y349 PolarHBondContact O-N 3.27Å; C186-Y349 VanDerWaalsContact O-O 3.13Å; C186-N351 PolarHBondContact SG-O 3.38Å; C186-N351 VanDerWaalsContact SG-O 3.41Å; C186-Q352 HydrophobicContact CB-CG 4.47Å; C186-R355 VanDerWaalsContact SG-CD 3.57Å; C186-R355 PolarHBondContact SG-NE 3.26Å; C186-R355 VanDerWaalsContact SG-NE 3.39Å
187	G	98.7	Very high	98.4	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-168.9	179.6	0	0	0	0	0	113.3	I347 R355	G187-I347 CarbonylContact C-O 3.56Å; G187-I347 WeakPolarHBondContact CA-O 3.29Å; G187-R355 WeakPolarHBondContact O-CD 3.14Å; G187-R355 PolarHBondContact O-NH1 3.36Å
188	T	98.7	Very high	98.5	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.4	172.4	49.5	0	0	0	0	109.5	I347 Q358	T188-I347 PolarHBondContact N-O 3.44Å; T188-I347 PolarHBondContact O-N 3.46Å; T188-I347 WeakPolarHBondContact OG1-CG2 3.25Å; T188-Q358 PolarHBondContact OG1-NE2 2.93Å; T188-Q358 VanDerWaalsContact OG1-NE2 3.11Å
189	T	98.7	Very high	98.5	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	154.2	166.3	71.6	0	0	0	0	109.7	E168 V171 V172 S345 V346 T374 R379	E168-T189 HydrophobicContact CG-CG2 3.55Å; E168-T189 PolarHBondContact OE1-OG1 3.39Å; V171-T189 HydrophobicContact CB-CG2 4.41Å; V171-T189 HydrophobicContact CG1-CG2 3.95Å; V172-T189 HydrophobicContact CG2-CG2 3.9Å; T189-S345 CarbonylContact C-O 3.52Å; T189-S345 WeakPolarHBondContact CA-O 3.3Å; T189-V346 HydrophobicContact CG2-CG2 4.44Å; T189-T374 VanDerWaalsContact O-CG2 3.25Å; T189-T374 WeakPolarHBondContact O-CG2 2.99Å; T189-R379 PolarHBondContact OG1-NH1 3.36Å
190	T	98.8	Very high	98.5	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	169.2	179.7	70.9	0	0	0	0	110.1	G192 E195 S196 L199 T344 S345 I347 T374	T190-G192 PolarHBondContact O-N 3.47Å; T190-G192 PolarHBondContact OG1-N 3.15Å; T190-G192 PolarHBondContact OG1-O 2.79Å; T190-E195 HydrophobicContact CG2-CG 4.21Å; T190-S196 PolarHBondContact OG1-OG 3.18Å; T190-L199 HydrophobicContact CG2-CD1 3.74Å; T190-T344 CarbonylContact O-C 3.51Å; T190-T344 WeakPolarHBondContact O-CA 3.42Å; T190-S345 PolarHBondContact N-O 2.84Å; T190-S345 PolarHBondContact O-N 3.23Å; T190-S345 VanDerWaalsContact OG1-CB 3.31Å; T190-S345 WeakPolarHBondContact OG1-CB 3.37Å; T190-I347 HydrophobicContact CG2-CB 4.39Å; T190-I347 HydrophobicContact CG2-CG2 3.72Å; T190-T374 HydrophobicContact CG2-CG2 4.48Å
191	S	98.4	Very high	98.5	Very high	70 Å²	70	26.4 Å²	26.4	49%	0.49	15%	0.149	S	C	.	.	S	Bend	trans	-71.7	-10.8	177.6	62.1	0	0	0	0	114.1	E195 G343 T344	S191-E195 WeakPolarHBondContact CB-OE2 3.42Å; S191-E195 PolarHBondContact N-OE2 3.42Å; S191-E195 PolarHBondContact OG-OE2 3.14Å; S191-G343 CarbonylContact C-O 3.1Å; S191-G343 WeakPolarHBondContact CA-O 3.35Å; S191-G343 CarbonylContact O-C 3.57Å; S191-G343 WeakPolarHBondContact O-CA 3.46Å; S191-T344 PolarHBondContact O-N 3.12Å
192	G	98.6	Very high	98.6	Very high	8 Å²	8	27 Å²	27	8%	0.082	15%	0.149	C	C	.	.	S	Bend	trans	160.1	170.3	-178.3	0	0	0	0	0	112.7	T190 T194 E195 S196 S345	T190-G192 PolarHBondContact O-N 3.47Å; T190-G192 PolarHBondContact OG1-N 3.15Å; T190-G192 PolarHBondContact OG1-O 2.79Å; G192-T194 PolarHBondContact O-N 3.39Å; G192-T194 VanDerWaalsContact O-N 3.11Å; G192-E195 PolarHBondContact O-N 3.43Å; G192-S196 PolarHBondContact O-N 3.15Å; G192-S196 VanDerWaalsContact O-N 3.11Å; G192-S345 VanDerWaalsContact CA-CB 3.43Å
193	G	98.6	Very high	98.6	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-30.3	-174.5	0	0	0	0	0	114.8	S196 I197 C301 D333	G193-S196 PolarHBondContact O-N 3.08Å; G193-I197 WeakPolarHBondContact O-CB 3.34Å; G193-I197 WeakPolarHBondContact O-CG1 3.43Å; G193-I197 PolarHBondContact O-N 3.31Å; G193-C301 VanDerWaalsContact CA-SG 3.55Å; G193-D333 WeakPolarHBondContact CA-OD1 3.44Å; G193-D333 PolarHBondContact N-OD1 2.89Å
194	T	98.8	Very high	98.7	Very high	52 Å²	52	15 Å²	15	32%	0.319	9%	0.094	S	C	.	.	H	α-helix	trans	-61.1	-46.3	172.9	-64.3	0	0	0	0	111.3	G192 I197 L198 A227 K230	G192-T194 PolarHBondContact O-N 3.39Å; G192-T194 VanDerWaalsContact O-N 3.11Å; T194-I197 PolarHBondContact O-N 3.46Å; T194-L198 HydrophobicContact CG2-CD1 4.05Å; T194-L198 HydrophobicContact CG2-CG 4.34Å; T194-L198 WeakPolarHBondContact O-CB 3.36Å; T194-L198 WeakPolarHBondContact O-CG 3.13Å; T194-L198 PolarHBondContact O-N 3.24Å; T194-A227 HydrophobicContact CG2-CB 4.04Å; T194-K230 HydrophobicContact CG2-CD 4.27Å
195	E	98.9	Very high	98.7	Very high	9 Å²	9	12.4 Å²	12.4	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-39.8	176.7	-179.7	174.3	-166.2	0	0	111.4	T190 S191 G192 I197 L198 L199 T374 L375 P376	T190-E195 HydrophobicContact CG2-CG 4.21Å; S191-E195 WeakPolarHBondContact CB-OE2 3.42Å; S191-E195 PolarHBondContact N-OE2 3.42Å; S191-E195 PolarHBondContact OG-OE2 3.14Å; G192-E195 PolarHBondContact O-N 3.43Å; E195-I197 VanDerWaalsContact C-N 3.34Å; E195-I197 PolarHBondContact O-N 3.26Å; E195-L198 PolarHBondContact O-N 3.47Å; E195-L199 HydrophobicContact CG-CD1 3.8Å; E195-L199 HydrophobicContact CG-CG 4.2Å; E195-L199 WeakPolarHBondContact O-CB 3.43Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 3.46Å; E195-T374 WeakPolarHBondContact OE1-CB 3.42Å; E195-L375 HydrophobicContact CG-CD1 4.01Å; E195-L375 HydrophobicContact CG-CG 4.15Å; E195-L375 WeakPolarHBondContact OE1-CB 3.39Å; E195-L375 PolarHBondContact OE1-N 3.33Å; E195-P376 WeakPolarHBondContact OE1-CD 3.38Å
196	S	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.4	-44.8	174.9	-59.5	0	0	0	0	112.4	T190 G192 G193 A200 S345	T190-S196 PolarHBondContact OG1-OG 3.18Å; G192-S196 PolarHBondContact O-N 3.15Å; G192-S196 VanDerWaalsContact O-N 3.11Å; G193-S196 PolarHBondContact O-N 3.08Å; S196-A200 PolarHBondContact O-N 2.91Å; S196-A200 VanDerWaalsContact O-N 3.1Å; S196-S345 PolarHBondContact OG-OG 3.31Å
197	I	98.9	Very high	98.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-46.9	176.1	-71.4	166.1	0	0	0	110.9	G193 T194 E195 L199 A200 C201 H225 A227 F228	G193-I197 WeakPolarHBondContact O-CB 3.34Å; G193-I197 WeakPolarHBondContact O-CG1 3.43Å; G193-I197 PolarHBondContact O-N 3.31Å; T194-I197 PolarHBondContact O-N 3.46Å; E195-I197 VanDerWaalsContact C-N 3.34Å; E195-I197 PolarHBondContact O-N 3.26Å; I197-L199 VanDerWaalsContact C-N 3.31Å; I197-L199 PolarHBondContact O-N 2.83Å; I197-A200 PolarHBondContact O-N 3.36Å; I197-C201 PolarHBondContact O-N 3.26Å; I197-C201 PolarHBondContact O-SG 3.23Å; I197-C201 VanDerWaalsContact O-SG 3.37Å; I197-H225 HydrophobicContact CD1-CB 4.15Å; I197-A227 HydrophobicContact CB-CB 4.03Å; I197-A227 HydrophobicContact CD1-CB 3.83Å; I197-A227 HydrophobicContact CG2-CB 3.83Å; I197-F228 HydrophobicContact CD1-CE2 3.98Å; I197-F228 HydrophobicContact CD1-CZ 4.24Å; I197-F228 HydrophobicContact CG1-CE2 4.29Å; I197-F228 HydrophobicContact CG1-CZ 4.03Å; I197-F228 HydrophobicContact CG2-CD1 3.61Å; I197-F228 HydrophobicContact CG2-CD2 4.16Å; I197-F228 HydrophobicContact CG2-CE1 3.56Å; I197-F228 HydrophobicContact CG2-CE2 4.1Å; I197-F228 HydrophobicContact CG2-CG 3.9Å; I197-F228 HydrophobicContact CG2-CZ 3.8Å
198	L	98.9	Very high	98.7	Very high	11 Å²	11	15.8 Å²	15.8	6%	0.058	9%	0.092	C	C	.	.	H	α-helix	trans	-56.1	-46.1	178	-72.2	174.2	0	0	0	111.3	T194 E195 C201 L202 K230 A231 Y234 F235 L375	T194-L198 HydrophobicContact CG2-CD1 4.05Å; T194-L198 HydrophobicContact CG2-CG 4.34Å; T194-L198 WeakPolarHBondContact O-CB 3.36Å; T194-L198 WeakPolarHBondContact O-CG 3.13Å; T194-L198 PolarHBondContact O-N 3.24Å; E195-L198 PolarHBondContact O-N 3.47Å; L198-C201 PolarHBondContact O-N 2.69Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 PolarHBondContact O-N 2.67Å; L198-K230 HydrophobicContact CD2-CG 4.37Å; L198-A231 VanDerWaalsContact CD2-CA 3.42Å; L198-A231 HydrophobicContact CD2-CB 3.66Å; L198-Y234 HydrophobicContact CD2-CD2 4.24Å; L198-F235 HydrophobicContact CB-CE2 4.04Å; L198-F235 HydrophobicContact CB-CZ 4.36Å; L198-F235 HydrophobicContact CD2-CE2 3.91Å; L198-F235 HydrophobicContact CD2-CZ 4.38Å; L198-F235 VanDerWaalsContact O-CE2 3.3Å; L198-F235 WeakPolarHBondContact O-CE2 3.39Å; L198-L375 HydrophobicContact CB-CD1 4.29Å; L198-L375 HydrophobicContact CD1-CD1 3.83Å
199	L	98.9	Very high	98.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-37.6	179.8	-72.6	170.7	0	0	0	112.7	T190 E195 I197 L202 A203 I347 Y349 Q358 T374 L375	T190-L199 HydrophobicContact CG2-CD1 3.74Å; E195-L199 HydrophobicContact CG-CD1 3.8Å; E195-L199 HydrophobicContact CG-CG 4.2Å; E195-L199 WeakPolarHBondContact O-CB 3.43Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 3.46Å; I197-L199 VanDerWaalsContact C-N 3.31Å; I197-L199 PolarHBondContact O-N 2.83Å; L199-L202 PolarHBondContact O-N 3.32Å; L199-A203 WeakPolarHBondContact O-CB 3.33Å; L199-A203 PolarHBondContact O-N 3.33Å; L199-I347 HydrophobicContact CD1-CG2 4.34Å; L199-Y349 PolarHBondContact O-OH 3.31Å; L199-Q358 HydrophobicContact CB-CB 4.48Å; L199-Q358 VanDerWaalsContact CB-OE1 3.31Å; L199-Q358 HydrophobicContact CD2-CB 4.23Å; L199-Q358 HydrophobicContact CD2-CG 4.41Å; L199-T374 HydrophobicContact CD1-CG2 3.95Å; L199-L375 HydrophobicContact CD2-CD2 4.04Å; L199-L375 HydrophobicContact CD2-CG 4.09Å; L199-L375 HydrophobicContact CG-CG 4.43Å
200	A	98.9	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-49.5	172.7	0	0	0	0	0	111.6	S196 I197 L202 A203 Y204 H297 I347 Y349	S196-A200 PolarHBondContact O-N 2.91Å; S196-A200 VanDerWaalsContact O-N 3.1Å; I197-A200 PolarHBondContact O-N 3.36Å; A200-L202 VanDerWaalsContact C-N 3.35Å; A200-L202 PolarHBondContact O-N 3.1Å; A200-A203 PolarHBondContact O-N 3.16Å; A200-Y204 HydrophobicContact CB-CE2 4.42Å; A200-Y204 WeakPolarHBondContact O-CD2 3.5Å; A200-Y204 PolarHBondContact O-N 3.05Å; A200-Y204 VanDerWaalsContact O-N 3.08Å; A200-H297 WeakPolarHBondContact CB-ND1 3.48Å; A200-I347 HydrophobicContact CB-CD1 4.01Å; A200-Y349 PolarHBondContact N-OH 3.13Å
201	C	98.9	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-42.4	176.5	-67.2	0	0	0	0	112.1	I197 L198 Y204 R205 A231 I237 M266	I197-C201 PolarHBondContact O-N 3.26Å; I197-C201 PolarHBondContact O-SG 3.23Å; I197-C201 VanDerWaalsContact O-SG 3.37Å; L198-C201 PolarHBondContact O-N 2.69Å; C201-Y204 PolarHBondContact O-N 3.31Å; C201-R205 WeakPolarHBondContact O-CB 3.17Å; C201-R205 PolarHBondContact O-N 3.34Å; C201-A231 HydrophobicContact CB-CB 3.57Å; C201-I237 HydrophobicContact CB-CD1 3.92Å; C201-M266 HydrophobicContact CB-SD 4.24Å
202	L	98.7	Very high	98.4	Very high	27 Å²	27	30.4 Å²	30.4	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-49	175.7	178.1	62.1	0	0	0	110.9	L198 L199 A200 Y204 R205 Q206 F235	L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 PolarHBondContact O-N 2.67Å; L199-L202 PolarHBondContact O-N 3.32Å; A200-L202 VanDerWaalsContact C-N 3.35Å; A200-L202 PolarHBondContact O-N 3.1Å; L202-Y204 PolarHBondContact O-N 3.25Å; L202-R205 PolarHBondContact O-N 3.3Å; L202-Q206 HydrophobicContact CD1-CG 4.14Å; L202-Q206 HydrophobicContact CG-CG 4.47Å; L202-Q206 VanDerWaalsContact O-CG 3.26Å; L202-Q206 WeakPolarHBondContact O-CG 3.3Å; L202-Q206 PolarHBondContact O-N 3.09Å; L202-F235 HydrophobicContact CB-CD2 4.21Å; L202-F235 HydrophobicContact CB-CE2 4.01Å; L202-F235 HydrophobicContact CB-CZ 4.32Å; L202-F235 HydrophobicContact CD1-CD1 4.19Å; L202-F235 HydrophobicContact CD1-CE1 4.36Å; L202-F235 HydrophobicContact CD1-CG 4.35Å
203	A	98.8	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-57.2	-47.6	180	0	0	0	0	0	112.1	L199 A200 Q206 L207 Y349 K357 Q358	L199-A203 WeakPolarHBondContact O-CB 3.33Å; L199-A203 PolarHBondContact O-N 3.33Å; A200-A203 PolarHBondContact O-N 3.16Å; A203-Q206 PolarHBondContact O-N 3.05Å; A203-L207 WeakPolarHBondContact O-CB 3.39Å; A203-L207 PolarHBondContact O-N 3.09Å; A203-Y349 HydrophobicContact CB-CE1 4.03Å; A203-K357 HydrophobicContact CB-CB 3.97Å; A203-K357 WeakPolarHBondContact O-CB 3.19Å; A203-Q358 HydrophobicContact CB-CB 4.18Å
204	Y	98.8	Very high	98.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-74	-31.7	-178.8	-60.8	-42.1	0	0	0	113.6	A200 C201 L202 L207 A208 M266 P295 H297 T328 S329 Y354	A200-Y204 HydrophobicContact CB-CE2 4.42Å; A200-Y204 WeakPolarHBondContact O-CD2 3.5Å; A200-Y204 PolarHBondContact O-N 3.05Å; A200-Y204 VanDerWaalsContact O-N 3.08Å; C201-Y204 PolarHBondContact O-N 3.31Å; L202-Y204 PolarHBondContact O-N 3.25Å; Y204-L207 PolarHBondContact O-N 3.24Å; Y204-A208 VanDerWaalsContact O-CB 3.3Å; Y204-A208 WeakPolarHBondContact O-CB 3.36Å; Y204-A208 PolarHBondContact O-N 2.88Å; Y204-M266 HydrophobicContact CD2-CB 3.82Å; Y204-M266 HydrophobicContact CD2-CE 3.88Å; Y204-M266 HydrophobicContact CD2-CG 4.48Å; Y204-M266 HydrophobicContact CD2-SD 3.91Å; Y204-M266 HydrophobicContact CE2-CE 4.32Å; Y204-M266 HydrophobicContact CG-CB 4.24Å; Y204-P295 HydrophobicContact CD1-CB 3.44Å; Y204-P295 VanDerWaalsContact CD1-CB 3.44Å; Y204-P295 HydrophobicContact CD1-CG 3.61Å; Y204-P295 HydrophobicContact CD2-CB 4.18Å; Y204-P295 HydrophobicContact CE1-CB 3.35Å; Y204-P295 HydrophobicContact CE1-CG 3.89Å; Y204-P295 HydrophobicContact CE2-CB 4.09Å; Y204-P295 HydrophobicContact CG-CB 3.87Å; Y204-P295 HydrophobicContact CG-CG 4.21Å; Y204-H297 HydrophobicContact CE2-CB 4.28Å; Y204-T328 WeakPolarHBondContact OH-CB 3.47Å; Y204-T328 PolarHBondContact OH-OG1 3.3Å; Y204-S329 WeakPolarHBondContact CE2-OG 2.91Å; Y204-S329 WeakPolarHBondContact OH-CB 3.44Å; Y204-S329 PolarHBondContact OH-N 3.4Å; Y204-S329 PolarHBondContact OH-OG 3.04Å; Y204-Y354 HydrophobicContact CD1-CD1 4.32Å; Y204-Y354 AromaticContact CE1-CD1 3.72Å; Y204-Y354 HydrophobicContact CE1-CD1 3.72Å; Y204-Y354 HydrophobicContact CE1-CE1 4.23Å; Y204-Y354 HydrophobicContact CE1-CG 4.29Å
205	R	98.5	Very high	98.2	Very high	35 Å²	35	43.9 Å²	43.9	13%	0.132	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-43.5	169.6	177.7	-78.5	-159.7	167.2	11.1	111.4	C201 L202 A208 R209 P216 F235 I237	C201-R205 WeakPolarHBondContact O-CB 3.17Å; C201-R205 PolarHBondContact O-N 3.34Å; L202-R205 PolarHBondContact O-N 3.3Å; R205-A208 PolarHBondContact O-N 3.13Å; R205-R209 VanDerWaalsContact CZ-NE 3.33Å; R205-R209 VanDerWaalsContact NE-CZ 3.32Å; R205-R209 VanDerWaalsContact NH2-NH2 3.13Å; R205-R209 WeakPolarHBondContact O-CG 3.24Å; R205-R209 PolarHBondContact O-N 3.02Å; R205-P216 HydrophobicContact CG-CG 4.17Å; R205-F235 PolarHBondContact NE-O 2.9Å; R205-F235 PolarHBondContact NH2-O 3.12Å; R205-I237 HydrophobicContact CB-CD1 3.76Å; R205-I237 HydrophobicContact CB-CG1 3.99Å; R205-I237 HydrophobicContact CG-CD1 4.08Å; R205-I237 HydrophobicContact CG-CG1 3.78Å
206	Q	98.2	Very high	98.2	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	21%	0.212	S	C	.	.	H	α-helix	trans	-65.7	-44.7	177	-66.6	-68.9	48.2	0	0	111.3	L202 A203 A208 R209 E210 K357	L202-Q206 HydrophobicContact CD1-CG 4.14Å; L202-Q206 HydrophobicContact CG-CG 4.47Å; L202-Q206 VanDerWaalsContact O-CG 3.26Å; L202-Q206 WeakPolarHBondContact O-CG 3.3Å; L202-Q206 PolarHBondContact O-N 3.09Å; A203-Q206 PolarHBondContact O-N 3.05Å; Q206-A208 VanDerWaalsContact C-N 3.34Å; Q206-A208 PolarHBondContact O-N 3.11Å; Q206-R209 PolarHBondContact O-N 2.84Å; Q206-E210 WeakPolarHBondContact O-CG 3.28Å; Q206-E210 PolarHBondContact O-N 2.82Å; Q206-K357 HydrophobicContact CB-CB 4.27Å
207	L	98.2	Very high	98.1	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-45.9	174.3	-178.8	62.9	0	0	0	112.2	A203 Y204 R209 E210 H211 P295 Y353 Y354 K357	A203-L207 WeakPolarHBondContact O-CB 3.39Å; A203-L207 PolarHBondContact O-N 3.09Å; Y204-L207 PolarHBondContact O-N 3.24Å; L207-R209 VanDerWaalsContact C-N 3.33Å; L207-R209 PolarHBondContact O-N 2.88Å; L207-E210 PolarHBondContact O-N 3Å; L207-H211 VanDerWaalsContact CD1-CE1 3.47Å; L207-H211 WeakPolarHBondContact CD1-CE1 3.39Å; L207-H211 PolarHBondContact O-N 3Å; L207-H211 VanDerWaalsContact O-N 3.16Å; L207-H211 PolarHBondContact O-ND1 3.25Å; L207-P295 HydrophobicContact CD2-CG 4.11Å; L207-Y353 HydrophobicContact CD1-CE1 3.56Å; L207-Y353 WeakPolarHBondContact CD1-OH 3.32Å; L207-Y354 HydrophobicContact CD2-CD1 3.94Å; L207-Y354 HydrophobicContact CD2-CE1 3.7Å; L207-K357 HydrophobicContact CB-CG 4.42Å
208	A	98.2	Very high	98.1	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-40.7	177.2	0	0	0	0	0	112.2	Y204 R205 Q206 H211 G212 I213 P216 C265	Y204-A208 VanDerWaalsContact O-CB 3.3Å; Y204-A208 WeakPolarHBondContact O-CB 3.36Å; Y204-A208 PolarHBondContact O-N 2.88Å; R205-A208 PolarHBondContact O-N 3.13Å; Q206-A208 VanDerWaalsContact C-N 3.34Å; Q206-A208 PolarHBondContact O-N 3.11Å; A208-H211 CarbonylContact O-C 3.03Å; A208-H211 PolarHBondContact O-N 3.17Å; A208-H211 VanDerWaalsContact O-N 3.16Å; A208-G212 PolarHBondContact O-N 3.02Å; A208-I213 HydrophobicContact CB-CB 4.07Å; A208-I213 HydrophobicContact CB-CD1 3.94Å; A208-I213 HydrophobicContact CB-CG1 4.5Å; A208-I213 WeakPolarHBondContact O-CB 3.25Å; A208-I213 PolarHBondContact O-N 2.78Å; A208-P216 HydrophobicContact CB-CB 4.1Å; A208-P216 HydrophobicContact CB-CG 3.94Å; A208-C265 HydrophobicContact CB-CB 3.53Å
209	R	97.7	Very high	98.1	Very high	105 Å²	105	42.9 Å²	42.9	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-66.1	-37.9	176.3	-76.9	-176.3	173.2	-157.6	-0.5	113.1	R205 Q206 L207 H211 G212 I213 P216	R205-R209 VanDerWaalsContact CZ-NE 3.33Å; R205-R209 VanDerWaalsContact NE-CZ 3.32Å; R205-R209 VanDerWaalsContact NH2-NH2 3.13Å; R205-R209 WeakPolarHBondContact O-CG 3.24Å; R205-R209 PolarHBondContact O-N 3.02Å; Q206-R209 PolarHBondContact O-N 2.84Å; L207-R209 VanDerWaalsContact C-N 3.33Å; L207-R209 PolarHBondContact O-N 2.88Å; R209-H211 PolarHBondContact O-N 2.84Å; R209-G212 PolarHBondContact O-N 3.17Å; R209-I213 WeakPolarHBondContact CG-O 3.41Å; R209-P216 HydrophobicContact CG-CG 4.34Å
210	E	96.9	Very high	98.1	Very high	110 Å²	110	42.8 Å²	42.8	51%	0.514	21%	0.209	S	C	.	.	H	α-helix	trans	-61.7	-31.9	172.6	-71.4	177	-172.4	0	0	111.9	Q206 L207 G212 K357	Q206-E210 WeakPolarHBondContact O-CG 3.28Å; Q206-E210 PolarHBondContact O-N 2.82Å; L207-E210 PolarHBondContact O-N 3Å; E210-G212 VanDerWaalsContact C-N 3.26Å; E210-G212 PolarHBondContact O-N 3.05Å; E210-K357 IonicContact OE1-NZ 2.86Å; E210-K357 PolarHBondContact OE1-NZ 2.58Å; E210-K357 VanDerWaalsContact OE2-CE 3.23Å; E210-K357 WeakPolarHBondContact OE2-CE 3.33Å; E210-K357 IonicContact OE2-NZ 3.16Å; E210-K357 PolarHBondContact OE2-NZ 2.76Å
211	H	95.9	Very high	98.1	Very high	128 Å²	128	42.8 Å²	42.8	59%	0.593	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	10.7	172	-60	138.5	0	0	0	114.2	L207 A208 R209	L207-H211 VanDerWaalsContact CD1-CE1 3.47Å; L207-H211 WeakPolarHBondContact CD1-CE1 3.39Å; L207-H211 PolarHBondContact O-N 3Å; L207-H211 VanDerWaalsContact O-N 3.16Å; L207-H211 PolarHBondContact O-ND1 3.25Å; A208-H211 CarbonylContact O-C 3.03Å; A208-H211 PolarHBondContact O-N 3.17Å; A208-H211 VanDerWaalsContact O-N 3.16Å; R209-H211 PolarHBondContact O-N 2.84Å
212	G	97.5	Very high	98.1	Very high	57 Å²	57	46.1 Å²	46.1	59%	0.588	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	3.6	174.5	0	0	0	0	0	115.9	A208 R209 E210 K214	A208-G212 PolarHBondContact O-N 3.02Å; R209-G212 PolarHBondContact O-N 3.17Å; E210-G212 VanDerWaalsContact C-N 3.26Å; E210-G212 PolarHBondContact O-N 3.05Å; G212-K214 PolarHBondContact O-N 2.83Å
213	I	97.8	Very high	98.1	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.185	23%	0.227	C	C	.	.			trans	-77.2	106.4	177.7	-57.8	170.5	0	0	0	109.6	A208 R209 P216 D263	A208-I213 HydrophobicContact CB-CB 4.07Å; A208-I213 HydrophobicContact CB-CD1 3.94Å; A208-I213 HydrophobicContact CB-CG1 4.5Å; A208-I213 WeakPolarHBondContact O-CB 3.25Å; A208-I213 PolarHBondContact O-N 2.78Å; R209-I213 WeakPolarHBondContact CG-O 3.41Å; I213-P216 HydrophobicContact CG2-CB 4.34Å; I213-P216 HydrophobicContact CG2-CG 4.05Å; I213-D263 HydrophobicContact CG2-CB 3.81Å
214	K	96.9	Very high	98.1	Very high	169 Å²	169	45.7 Å²	45.7	74%	0.735	23%	0.228	S	C	*	.	S	Bend	trans	-70.9	-36.8	-178.8	-67.4	-177.4	-179.5	177.5	0	113.4	G212 P216	G212-K214 PolarHBondContact O-N 2.83Å; K214-P216 WeakPolarHBondContact O-CD 3.4Å
215	H	97.3	Very high	98.1	Very high	145 Å²	145	48.4 Å²	48.4	67%	0.671	24%	0.24	S	C	*	.	S	Bend	trans	-125.2	77.4	-176.7	-59.9	-67.3	0	0	0	110.6
216	P	98.4	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.			trans	-60.5	140.1	-178	-26.3	38.4	0	0	0	112.6	R205 A208 R209 I213 K214 I237 K238 C265	R205-P216 HydrophobicContact CG-CG 4.17Å; A208-P216 HydrophobicContact CB-CB 4.1Å; A208-P216 HydrophobicContact CB-CG 3.94Å; R209-P216 HydrophobicContact CG-CG 4.34Å; I213-P216 HydrophobicContact CG2-CB 4.34Å; I213-P216 HydrophobicContact CG2-CG 4.05Å; K214-P216 WeakPolarHBondContact O-CD 3.4Å; P216-I237 WeakPolarHBondContact O-CA 3.27Å; P216-I237 WeakPolarHBondContact O-CG2 3.28Å; P216-K238 PolarHBondContact O-N 2.79Å; P216-C265 HydrophobicContact CB-CB 3.82Å
217	T	98.8	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.9	177	-69	0	0	0	0	110.1	K238 I240 D263 T264 C265	T217-K238 CarbonylContact C-O 3.53Å; T217-K238 VanDerWaalsContact CA-O 3.32Å; T217-K238 WeakPolarHBondContact CA-O 3.03Å; T217-K238 HydrophobicContact CG2-CB 4.48Å; T217-K238 HydrophobicContact CG2-CG 4.35Å; T217-K238 WeakPolarHBondContact OG1-CB 3.27Å; T217-K238 WeakPolarHBondContact OG1-CD 3.21Å; T217-I240 HydrophobicContact CG2-CD1 3.62Å; T217-I240 HydrophobicContact CG2-CG1 3.75Å; T217-D263 PolarHBondContact N-O 3.44Å; T217-D263 PolarHBondContact OG1-OD2 2.72Å; T217-T264 CarbonylContact O-C 3.43Å; T217-T264 WeakPolarHBondContact O-CA 3.44Å; T217-C265 PolarHBondContact O-N 3.49Å; T217-C265 PolarHBondContact O-SG 3.4Å
218	M	98.8	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.3	168.4	64.2	175.4	-179.4	0	0	110.6	I220 F228 A232 I237 K238 V239 I240 M266	M218-I220 HydrophobicContact CB-CG2 4.33Å; M218-I220 HydrophobicContact CE-CD1 4.21Å; M218-I220 HydrophobicContact CG-CG2 4.08Å; M218-I220 HydrophobicContact SD-CG2 4.06Å; M218-F228 HydrophobicContact CE-CB 3.79Å; M218-F228 WeakPolarHBondContact CE-O 3.17Å; M218-F228 HydrophobicContact SD-CB 4.32Å; M218-F228 HydrophobicContact SD-CD1 4.19Å; M218-A232 HydrophobicContact CE-CB 3.9Å; M218-I237 HydrophobicContact CB-CG2 4.09Å; M218-I237 HydrophobicContact CG-CG2 3.89Å; M218-I237 HydrophobicContact SD-CG2 4.41Å; M218-K238 PolarHBondContact N-O 3.46Å; M218-V239 HydrophobicContact CE-CB 4.09Å; M218-V239 HydrophobicContact CE-CG1 3.88Å; M218-V239 HydrophobicContact CE-CG2 3.26Å; M218-V239 HydrophobicContact CG-CG1 4.47Å; M218-V239 HydrophobicContact CG-CG2 4.4Å; M218-I240 PolarHBondContact O-N 3.06Å; M218-M266 HydrophobicContact CB-CG 3.5Å; M218-M266 VanDerWaalsContact CB-CG 3.5Å; M218-M266 HydrophobicContact CB-SD 4.17Å; M218-M266 HydrophobicContact SD-SD 4.43Å
219	V	98.9	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115	178.2	-179.1	0	0	0	0	108.2	I240 V242 M256 T264 M266 L267 V268	V219-I240 HydrophobicContact CG2-CB 4.34Å; V219-I240 HydrophobicContact CG2-CD1 4.46Å; V219-V242 HydrophobicContact CG1-CG2 3.48Å; V219-V242 VanDerWaalsContact CG1-CG2 3.48Å; V219-M256 HydrophobicContact CG1-CE 4.34Å; V219-M256 HydrophobicContact CG1-CG 4.01Å; V219-T264 HydrophobicContact CG2-CG2 3.85Å; V219-M266 PolarHBondContact N-O 3.19Å; V219-M266 VanDerWaalsContact N-O 3.09Å; V219-L267 HydrophobicContact CB-CD2 3.79Å; V219-L267 HydrophobicContact CG1-CD2 4.38Å; V219-L267 HydrophobicContact CG2-CD2 4.32Å; V219-V268 PolarHBondContact O-N 3.4Å
220	I	98.8	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.4	-171.7	73.1	179.3	0	0	0	110.8	M218 A224 F228 V239 I240 R241 V242 V268	M218-I220 HydrophobicContact CB-CG2 4.33Å; M218-I220 HydrophobicContact CE-CD1 4.21Å; M218-I220 HydrophobicContact CG-CG2 4.08Å; M218-I220 HydrophobicContact SD-CG2 4.06Å; I220-A224 HydrophobicContact CB-CB 3.97Å; I220-A224 HydrophobicContact CD1-CB 4.08Å; I220-A224 HydrophobicContact CG1-CB 4.19Å; I220-F228 HydrophobicContact CD1-CB 3.72Å; I220-F228 HydrophobicContact CD1-CG 4.34Å; I220-V239 HydrophobicContact CD1-CG1 3.54Å; I220-V239 HydrophobicContact CG1-CG1 3.85Å; I220-I240 PolarHBondContact N-O 3.01Å; I220-R241 HydrophobicContact CD1-CG 4.33Å; I220-R241 HydrophobicContact CG1-CG 4.04Å; I220-R241 CarbonylContact O-C 3.5Å; I220-R241 VanDerWaalsContact O-CA 3.25Å; I220-R241 WeakPolarHBondContact O-CA 3.43Å; I220-V242 PolarHBondContact O-N 2.96Å; I220-V268 HydrophobicContact CB-CB 4.08Å; I220-V268 HydrophobicContact CB-CG2 4.4Å; I220-V268 HydrophobicContact CG2-CB 3.69Å; I220-V268 HydrophobicContact CG2-CG1 4.47Å; I220-V268 HydrophobicContact CG2-CG2 3.47Å; I220-V268 VanDerWaalsContact CG2-CG2 3.47Å
221	P	98.6	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	151.3	169.2	-23.2	31.4	0	0	0	112.4	T223 A224 R241 L244 V251 M256 V268 D280	P221-T223 WeakPolarHBondContact CB-OG1 3.4Å; P221-T223 PolarHBondContact O-N 3.25Å; P221-T223 VanDerWaalsContact O-N 3.11Å; P221-A224 VanDerWaalsContact O-CB 3.25Å; P221-A224 WeakPolarHBondContact O-CB 3.34Å; P221-A224 PolarHBondContact O-N 3.48Å; P221-R241 PolarHBondContact O-NH1 3.16Å; P221-R241 VanDerWaalsContact O-NH1 3.08Å; P221-L244 HydrophobicContact CB-CD2 4.47Å; P221-V251 HydrophobicContact CB-CB 3.94Å; P221-V251 HydrophobicContact CB-CG2 4.04Å; P221-V251 HydrophobicContact CG-CB 3.76Å; P221-V251 HydrophobicContact CG-CG1 4.12Å; P221-V251 HydrophobicContact CG-CG2 3.9Å; P221-M256 HydrophobicContact CG-CE 4.35Å; P221-V268 WeakPolarHBondContact CD-O 3.44Å; P221-D280 WeakPolarHBondContact CG-OD2 3.24Å
222	V	98.4	Very high	98.4	Very high	70 Å²	70	38.5 Å²	38.5	42%	0.424	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.1	170.6	-72.4	0	0	0	0	113	R241 V242 L244	V222-R241 HydrophobicContact CG1-CB 3.85Å; V222-R241 PolarHBondContact O-NH1 2.89Å; V222-V242 WeakPolarHBondContact CG1-O 3.38Å; V222-V242 PolarHBondContact N-O 2.85Å; V222-L244 HydrophobicContact CG2-CD1 4.16Å; V222-L244 HydrophobicContact CG2-CD2 3.67Å; V222-L244 HydrophobicContact CG2-CG 3.53Å
223	T	98.4	Very high	98.3	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.092	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.5	177.3	45.9	0	0	0	0	114.5	P221 L244 P275	P221-T223 WeakPolarHBondContact CB-OG1 3.4Å; P221-T223 PolarHBondContact O-N 3.25Å; P221-T223 VanDerWaalsContact O-N 3.11Å; T223-L244 HydrophobicContact CG2-CD1 3.43Å; T223-L244 VanDerWaalsContact CG2-CD1 3.43Å; T223-L244 HydrophobicContact CG2-CD2 3.84Å; T223-L244 HydrophobicContact CG2-CG 4.17Å; T223-P275 HydrophobicContact CG2-CG 4.4Å
224	A	98.7	Very high	98.4	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	23%	0.231	C	C	.	.	S	Bend	trans	-61	142.9	178.8	0	0	0	0	0	111.1	I220 P221 F228 V268	I220-A224 HydrophobicContact CB-CB 3.97Å; I220-A224 HydrophobicContact CD1-CB 4.08Å; I220-A224 HydrophobicContact CG1-CB 4.19Å; P221-A224 VanDerWaalsContact O-CB 3.25Å; P221-A224 WeakPolarHBondContact O-CB 3.34Å; P221-A224 PolarHBondContact O-N 3.48Å; A224-F228 HydrophobicContact CB-CD2 3.89Å; A224-F228 HydrophobicContact CB-CE2 4.25Å; A224-V268 HydrophobicContact CB-CG1 4.43Å
225	H	98.7	Very high	98.4	Very high	59 Å²	59	41.1 Å²	41.1	27%	0.273	20%	0.203	S	C	.	.			trans	-56.8	142.6	-170.7	-168.4	-95.7	0	0	0	113	I197 A227 F228	I197-H225 HydrophobicContact CD1-CB 4.15Å; H225-A227 WeakPolarHBondContact ND1-CB 3.27Å; H225-A227 PolarHBondContact ND1-N 3.29Å; H225-A227 VanDerWaalsContact ND1-N 3.18Å; H225-A227 PolarHBondContact O-N 3.46Å; H225-F228 HydrophobicContact CB-CD2 4.36Å; H225-F228 HydrophobicContact CB-CE2 4.46Å; H225-F228 VanDerWaalsContact O-CD2 3.24Å; H225-F228 WeakPolarHBondContact O-CD2 3.22Å; H225-F228 PolarHBondContact O-N 3.29Å
226	P	98	Very high	98.4	Very high	89 Å²	89	38.2 Å²	38.2	58%	0.578	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.5	179	-26.9	35.4	0	0	0	115.9	F228 D229 K230	P226-F228 PolarHBondContact O-N 3.05Å; P226-D229 WeakPolarHBondContact CA-OD2 3.22Å; P226-D229 PolarHBondContact O-N 2.82Å; P226-K230 PolarHBondContact O-N 3.47Å
227	A	98.7	Very high	98.4	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-26.8	171.7	0	0	0	0	0	112.4	T194 I197 H225 K230 A231	T194-A227 HydrophobicContact CG2-CB 4.04Å; I197-A227 HydrophobicContact CB-CB 4.03Å; I197-A227 HydrophobicContact CD1-CB 3.83Å; I197-A227 HydrophobicContact CG2-CB 3.83Å; H225-A227 WeakPolarHBondContact ND1-CB 3.27Å; H225-A227 PolarHBondContact ND1-N 3.29Å; H225-A227 VanDerWaalsContact ND1-N 3.18Å; H225-A227 PolarHBondContact O-N 3.46Å; A227-K230 PolarHBondContact O-N 3.46Å; A227-A231 WeakPolarHBondContact O-CB 3.34Å; A227-A231 PolarHBondContact O-N 3.31Å
228	F	98.9	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-49.6	171.4	-70.8	-72.9	0	0	0	110.6	I197 M218 I220 A224 H225 P226 K230 A231 A232 M266 V268 H297 D299	I197-F228 HydrophobicContact CD1-CE2 3.98Å; I197-F228 HydrophobicContact CD1-CZ 4.24Å; I197-F228 HydrophobicContact CG1-CE2 4.29Å; I197-F228 HydrophobicContact CG1-CZ 4.03Å; I197-F228 HydrophobicContact CG2-CD1 3.61Å; I197-F228 HydrophobicContact CG2-CD2 4.16Å; I197-F228 HydrophobicContact CG2-CE1 3.56Å; I197-F228 HydrophobicContact CG2-CE2 4.1Å; I197-F228 HydrophobicContact CG2-CG 3.9Å; I197-F228 HydrophobicContact CG2-CZ 3.8Å; M218-F228 HydrophobicContact CE-CB 3.79Å; M218-F228 WeakPolarHBondContact CE-O 3.17Å; M218-F228 HydrophobicContact SD-CB 4.32Å; M218-F228 HydrophobicContact SD-CD1 4.19Å; I220-F228 HydrophobicContact CD1-CB 3.72Å; I220-F228 HydrophobicContact CD1-CG 4.34Å; A224-F228 HydrophobicContact CB-CD2 3.89Å; A224-F228 HydrophobicContact CB-CE2 4.25Å; H225-F228 HydrophobicContact CB-CD2 4.36Å; H225-F228 HydrophobicContact CB-CE2 4.46Å; H225-F228 VanDerWaalsContact O-CD2 3.24Å; H225-F228 WeakPolarHBondContact O-CD2 3.22Å; H225-F228 PolarHBondContact O-N 3.29Å; P226-F228 PolarHBondContact O-N 3.05Å; F228-K230 PolarHBondContact O-N 3.29Å; F228-A231 WeakPolarHBondContact O-CA 3.36Å; F228-A231 VanDerWaalsContact O-CB 3.29Å; F228-A231 WeakPolarHBondContact O-CB 3.34Å; F228-A231 PolarHBondContact O-N 3.49Å; F228-A232 PolarHBondContact O-N 3.47Å; F228-M266 HydrophobicContact CE1-CE 4.11Å; F228-V268 HydrophobicContact CD1-CG2 4.07Å; F228-V268 HydrophobicContact CD2-CG1 4.5Å; F228-V268 HydrophobicContact CE1-CB 4.43Å; F228-V268 HydrophobicContact CE1-CG1 3.96Å; F228-V268 HydrophobicContact CE1-CG2 3.55Å; F228-V268 HydrophobicContact CE2-CG1 3.76Å; F228-V268 HydrophobicContact CZ-CB 4.39Å; F228-V268 HydrophobicContact CZ-CG1 3.46Å; F228-V268 VanDerWaalsContact CZ-CG1 3.46Å; F228-V268 HydrophobicContact CZ-CG2 3.96Å; F228-H297 AromaticContact CZ-CD2 3.84Å; F228-D299 HydrophobicContact CE2-CB 4.21Å; F228-D299 HydrophobicContact CZ-CB 4.23Å
229	D	98.3	Very high	98.4	Very high	57 Å²	57	46.4 Å²	46.4	31%	0.305	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-34.5	176.7	-42.9	-93.2	0	0	0	111.6	P226 A231 A232 H233 R241	P226-D229 WeakPolarHBondContact CA-OD2 3.22Å; P226-D229 PolarHBondContact O-N 2.82Å; D229-A231 VanDerWaalsContact C-N 3.35Å; D229-A232 WeakPolarHBondContact O-CB 3.41Å; D229-A232 PolarHBondContact O-N 3.06Å; D229-H233 WeakPolarHBondContact O-CB 3.25Å; D229-H233 PolarHBondContact O-N 2.92Å; D229-R241 IonicContact OD1-CZ 3.86Å; D229-R241 IonicContact OD1-NE 3.29Å; D229-R241 PolarHBondContact OD1-NE 3.4Å; D229-R241 IonicContact OD1-NH2 3.36Å; D229-R241 PolarHBondContact OD1-NH2 3.28Å; D229-R241 IonicContact OD2-CZ 2.89Å; D229-R241 IonicContact OD2-NH2 3.79Å; D229-R241 PolarHBondContact OD2-NH2 2.8Å
230	K	98.6	Very high	98.4	Very high	94 Å²	94	48.2 Å²	48.2	41%	0.409	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-42.5	172	-171.8	177.1	-68.2	-173.9	0	111.5	T194 L198 P226 A227 F228 H233 Y234	T194-K230 HydrophobicContact CG2-CD 4.27Å; L198-K230 HydrophobicContact CD2-CG 4.37Å; P226-K230 PolarHBondContact O-N 3.47Å; A227-K230 PolarHBondContact O-N 3.46Å; F228-K230 PolarHBondContact O-N 3.29Å; K230-H233 PolarHBondContact O-N 2.86Å; K230-Y234 HydrophobicContact CD-CE2 3.98Å; K230-Y234 HydrophobicContact CG-CD2 4.1Å; K230-Y234 HydrophobicContact CG-CE2 3.71Å; K230-Y234 PolarHBondContact O-N 3.47Å
231	A	98.7	Very high	98.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-44.4	174	0	0	0	0	0	111.6	L198 C201 A227 F228 D229 H233 Y234 F235	L198-A231 VanDerWaalsContact CD2-CA 3.42Å; L198-A231 HydrophobicContact CD2-CB 3.66Å; C201-A231 HydrophobicContact CB-CB 3.57Å; A227-A231 WeakPolarHBondContact O-CB 3.34Å; A227-A231 PolarHBondContact O-N 3.31Å; F228-A231 WeakPolarHBondContact O-CA 3.36Å; F228-A231 VanDerWaalsContact O-CB 3.29Å; F228-A231 WeakPolarHBondContact O-CB 3.34Å; F228-A231 PolarHBondContact O-N 3.49Å; D229-A231 VanDerWaalsContact C-N 3.35Å; A231-H233 VanDerWaalsContact C-N 3.35Å; A231-H233 PolarHBondContact O-N 3.14Å; A231-Y234 PolarHBondContact O-N 3.35Å; A231-F235 HydrophobicContact CB-CD2 4.11Å; A231-F235 HydrophobicContact CB-CE2 4.32Å; A231-F235 WeakPolarHBondContact O-CB 3.42Å; A231-F235 WeakPolarHBondContact O-CD2 3.11Å; A231-F235 PolarHBondContact O-N 2.94Å
232	A	98.5	Very high	98.3	Very high	12 Å²	12	52.2 Å²	52.2	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175.3	0	0	0	0	0	112.6	M218 F228 D229 S236 I237 V239	M218-A232 HydrophobicContact CE-CB 3.9Å; F228-A232 PolarHBondContact O-N 3.47Å; D229-A232 WeakPolarHBondContact O-CB 3.41Å; D229-A232 PolarHBondContact O-N 3.06Å; A232-S236 WeakPolarHBondContact O-CA 3.36Å; A232-S236 PolarHBondContact O-N 3.16Å; A232-I237 HydrophobicContact CB-CB 4.36Å; A232-I237 WeakPolarHBondContact CB-O 3.38Å; A232-I237 PolarHBondContact O-N 2.96Å; A232-V239 HydrophobicContact CB-CG2 3.3Å
233	H	97	Very high	98.3	Very high	150 Å²	150	51.9 Å²	51.9	69%	0.694	26%	0.262	S	S	*	.	H	α-helix	trans	-60.8	-45.3	176.9	179	66	0	0	0	112	D229 K230 A231	D229-H233 WeakPolarHBondContact O-CB 3.25Å; D229-H233 PolarHBondContact O-N 2.92Å; K230-H233 PolarHBondContact O-N 2.86Å; A231-H233 VanDerWaalsContact C-N 3.35Å; A231-H233 PolarHBondContact O-N 3.14Å
234	Y	98.4	Very high	98.3	Very high	136 Å²	136	52.6 Å²	52.6	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-76.6	-35.8	-178.2	-68.8	-13.9	0	0	0	114.3	L198 K230 A231	L198-Y234 HydrophobicContact CD2-CD2 4.24Å; K230-Y234 HydrophobicContact CD-CE2 3.98Å; K230-Y234 HydrophobicContact CG-CD2 4.1Å; K230-Y234 HydrophobicContact CG-CE2 3.71Å; K230-Y234 PolarHBondContact O-N 3.47Å; A231-Y234 PolarHBondContact O-N 3.35Å
235	F	97.9	Very high	98.2	Very high	31 Å²	31	55 Å²	55	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-108.7	3.7	-169.5	-52.2	-42.5	0	0	0	114.4	L198 L202 R205 A231 I237	L198-F235 HydrophobicContact CB-CE2 4.04Å; L198-F235 HydrophobicContact CB-CZ 4.36Å; L198-F235 HydrophobicContact CD2-CE2 3.91Å; L198-F235 HydrophobicContact CD2-CZ 4.38Å; L198-F235 VanDerWaalsContact O-CE2 3.3Å; L198-F235 WeakPolarHBondContact O-CE2 3.39Å; L202-F235 HydrophobicContact CB-CD2 4.21Å; L202-F235 HydrophobicContact CB-CE2 4.01Å; L202-F235 HydrophobicContact CB-CZ 4.32Å; L202-F235 HydrophobicContact CD1-CD1 4.19Å; L202-F235 HydrophobicContact CD1-CE1 4.36Å; L202-F235 HydrophobicContact CD1-CG 4.35Å; R205-F235 PolarHBondContact NE-O 2.9Å; R205-F235 PolarHBondContact NH2-O 3.12Å; A231-F235 HydrophobicContact CB-CD2 4.11Å; A231-F235 HydrophobicContact CB-CE2 4.32Å; A231-F235 WeakPolarHBondContact O-CB 3.42Å; A231-F235 WeakPolarHBondContact O-CD2 3.11Å; A231-F235 PolarHBondContact O-N 2.94Å; F235-I237 HydrophobicContact CB-CD1 4.05Å; F235-I237 HydrophobicContact CB-CG1 4.12Å
236	S	97.3	Very high	98	Very high	84 Å²	84	57.1 Å²	57.1	59%	0.587	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	53.6	-178.1	-46.8	0	0	0	0	111.9	A232	A232-S236 WeakPolarHBondContact O-CA 3.36Å; A232-S236 PolarHBondContact O-N 3.16Å
237	I	98.5	Very high	97.9	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.041	30%	0.302	C	S	.	.			trans	-103.9	133.1	174.6	-53.8	168.5	0	0	0	107.2	C201 R205 P216 M218 A232 F235	C201-I237 HydrophobicContact CB-CD1 3.92Å; R205-I237 HydrophobicContact CB-CD1 3.76Å; R205-I237 HydrophobicContact CB-CG1 3.99Å; R205-I237 HydrophobicContact CG-CD1 4.08Å; R205-I237 HydrophobicContact CG-CG1 3.78Å; P216-I237 WeakPolarHBondContact O-CA 3.27Å; P216-I237 WeakPolarHBondContact O-CG2 3.28Å; M218-I237 HydrophobicContact CB-CG2 4.09Å; M218-I237 HydrophobicContact CG-CG2 3.89Å; M218-I237 HydrophobicContact SD-CG2 4.41Å; A232-I237 HydrophobicContact CB-CB 4.36Å; A232-I237 WeakPolarHBondContact CB-O 3.38Å; A232-I237 PolarHBondContact O-N 2.96Å; F235-I237 HydrophobicContact CB-CD1 4.05Å; F235-I237 HydrophobicContact CB-CG1 4.12Å
238	K	98.5	Very high	97.7	Very high	123 Å²	123	62.2 Å²	62.2	54%	0.535	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.5	173	174.9	179.3	167.6	-157.9	0	109.6	P216 T217 M218	P216-K238 PolarHBondContact O-N 2.79Å; T217-K238 CarbonylContact C-O 3.53Å; T217-K238 VanDerWaalsContact CA-O 3.32Å; T217-K238 WeakPolarHBondContact CA-O 3.03Å; T217-K238 HydrophobicContact CG2-CB 4.48Å; T217-K238 HydrophobicContact CG2-CG 4.35Å; T217-K238 WeakPolarHBondContact OG1-CB 3.27Å; T217-K238 WeakPolarHBondContact OG1-CD 3.21Å; M218-K238 PolarHBondContact N-O 3.46Å
239	V	98.5	Very high	97.7	Very high	42 Å²	42	64.2 Å²	64.2	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.3	179.8	-168.9	0	0	0	0	110.2	M218 I220 A232 R241	M218-V239 HydrophobicContact CE-CB 4.09Å; M218-V239 HydrophobicContact CE-CG1 3.88Å; M218-V239 HydrophobicContact CE-CG2 3.26Å; M218-V239 HydrophobicContact CG-CG1 4.47Å; M218-V239 HydrophobicContact CG-CG2 4.4Å; I220-V239 HydrophobicContact CD1-CG1 3.54Å; I220-V239 HydrophobicContact CG1-CG1 3.85Å; A232-V239 HydrophobicContact CB-CG2 3.3Å; V239-R241 HydrophobicContact CG1-CG 3.9Å
240	I	98.6	Very high	97.6	Very high	38 Å²	38	64.4 Å²	64.4	20%	0.195	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.5	163.1	-60.8	176.2	0	0	0	107.5	T217 M218 V219 I220	T217-I240 HydrophobicContact CG2-CD1 3.62Å; T217-I240 HydrophobicContact CG2-CG1 3.75Å; M218-I240 PolarHBondContact O-N 3.06Å; V219-I240 HydrophobicContact CG2-CB 4.34Å; V219-I240 HydrophobicContact CG2-CD1 4.46Å; I220-I240 PolarHBondContact N-O 3.01Å
241	R	98.2	Very high	97.6	Very high	83 Å²	83	60.2 Å²	60.2	31%	0.313	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117	176.8	-71.5	-173.3	162.3	-86.6	12.5	110	I220 P221 V222 D229 V239	I220-R241 HydrophobicContact CD1-CG 4.33Å; I220-R241 HydrophobicContact CG1-CG 4.04Å; I220-R241 CarbonylContact O-C 3.5Å; I220-R241 VanDerWaalsContact O-CA 3.25Å; I220-R241 WeakPolarHBondContact O-CA 3.43Å; P221-R241 PolarHBondContact O-NH1 3.16Å; P221-R241 VanDerWaalsContact O-NH1 3.08Å; V222-R241 HydrophobicContact CG1-CB 3.85Å; V222-R241 PolarHBondContact O-NH1 2.89Å; D229-R241 IonicContact OD1-CZ 3.86Å; D229-R241 IonicContact OD1-NE 3.29Å; D229-R241 PolarHBondContact OD1-NE 3.4Å; D229-R241 IonicContact OD1-NH2 3.36Å; D229-R241 PolarHBondContact OD1-NH2 3.28Å; D229-R241 IonicContact OD2-CZ 2.89Å; D229-R241 IonicContact OD2-NH2 3.79Å; D229-R241 PolarHBondContact OD2-NH2 2.8Å; V239-R241 HydrophobicContact CG1-CG 3.9Å
242	V	98.6	Very high	97.6	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.1	-178	-176.3	0	0	0	0	109.6	V219 I220 V222 V251 D252 E255 M256	V219-V242 HydrophobicContact CG1-CG2 3.48Å; V219-V242 VanDerWaalsContact CG1-CG2 3.48Å; I220-V242 PolarHBondContact O-N 2.96Å; V222-V242 WeakPolarHBondContact CG1-O 3.38Å; V222-V242 PolarHBondContact N-O 2.85Å; V242-V251 HydrophobicContact CB-CG2 3.79Å; V242-V251 HydrophobicContact CG1-CG2 3.54Å; V242-D252 WeakPolarHBondContact CG1-O 3.41Å; V242-E255 HydrophobicContact CG1-CB 3.72Å; V242-M256 HydrophobicContact CG1-CB 4.03Å; V242-M256 HydrophobicContact CG2-CB 4.17Å
243	P	98.2	Very high	97.6	Very high	62 Å²	62	63.4 Å²	63.4	40%	0.403	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63.5	169.1	177.2	28.9	-36.3	0	0	0	112.4	D252 E255	P243-D252 PolarHBondContact O-N 3.4Å; P243-E255 HydrophobicContact CG-CB 4.11Å; P243-E255 HydrophobicContact CG-CG 3.98Å
244	L	98.1	Very high	97.7	Very high	31 Å²	31	62.5 Å²	62.5	16%	0.162	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-100.5	153.1	174.1	-46.9	176.7	0	0	0	109.8	P221 V222 T223 Y249 K250	P221-L244 HydrophobicContact CB-CD2 4.47Å; V222-L244 HydrophobicContact CG2-CD1 4.16Å; V222-L244 HydrophobicContact CG2-CD2 3.67Å; V222-L244 HydrophobicContact CG2-CG 3.53Å; T223-L244 HydrophobicContact CG2-CD1 3.43Å; T223-L244 VanDerWaalsContact CG2-CD1 3.43Å; T223-L244 HydrophobicContact CG2-CD2 3.84Å; T223-L244 HydrophobicContact CG2-CG 4.17Å; L244-Y249 HydrophobicContact CD1-CD1 3.83Å; L244-Y249 HydrophobicContact CD1-CG 4.46Å; L244-K250 CarbonylContact C-O 3.6Å; L244-K250 VanDerWaalsContact CA-O 3.25Å; L244-K250 WeakPolarHBondContact CA-O 3.31Å; L244-K250 WeakPolarHBondContact CB-O 3.39Å
245	D	96.8	Very high	97.7	Very high	53 Å²	53	60.1 Å²	60.1	28%	0.283	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62.2	126.7	160.4	171.7	-93.4	0	0	0	109.4	I247 T248 Y249 K250	D245-I247 PolarHBondContact O-N 3.2Å; D245-I247 VanDerWaalsContact O-N 3.15Å; D245-I247 PolarHBondContact OD1-N 3.18Å; D245-I247 VanDerWaalsContact OD1-N 3.1Å; D245-T248 WeakPolarHBondContact CB-OG1 3.41Å; D245-T248 WeakPolarHBondContact OD1-CB 3.41Å; D245-T248 WeakPolarHBondContact OD1-CG2 3.3Å; D245-T248 PolarHBondContact OD1-N 3.3Å; D245-T248 PolarHBondContact OD1-OG1 3.03Å; D245-Y249 VanDerWaalsContact O-CA 3.28Å; D245-Y249 WeakPolarHBondContact O-CA 3.19Å; D245-Y249 PolarHBondContact O-N 3.43Å; D245-K250 PolarHBondContact N-O 3.49Å
246	P	94.2	Very high	97.7	Very high	103 Å²	103	58.6 Å²	58.6	67%	0.669	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.8	-170.6	27.9	-35.7	0	0	0	114.2	Y249	P246-Y249 VanDerWaalsContact O-CE2 3.25Å; P246-Y249 WeakPolarHBondContact O-CE2 3.36Å
247	I	94.6	Very high	97.7	Very high	138 Å²	138	59.5 Å²	59.5	71%	0.708	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-54.3	-179.4	-60.7	175.7	0	0	0	109.8	D245	D245-I247 PolarHBondContact O-N 3.2Å; D245-I247 VanDerWaalsContact O-N 3.15Å; D245-I247 PolarHBondContact OD1-N 3.18Å; D245-I247 VanDerWaalsContact OD1-N 3.1Å
248	T	96.4	Very high	97.7	Very high	60 Å²	60	62.7 Å²	62.7	37%	0.368	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.4	-174	64.4	0	0	0	0	113.1	D245 K250	D245-T248 WeakPolarHBondContact CB-OG1 3.41Å; D245-T248 WeakPolarHBondContact OD1-CB 3.41Å; D245-T248 WeakPolarHBondContact OD1-CG2 3.3Å; D245-T248 PolarHBondContact OD1-N 3.3Å; D245-T248 PolarHBondContact OD1-OG1 3.03Å; T248-K250 PolarHBondContact O-N 2.95Å; T248-K250 VanDerWaalsContact O-N 3.15Å; T248-K250 PolarHBondContact OG1-N 3.07Å
249	Y	97.2	Very high	97.7	Very high	43 Å²	43	57.8 Å²	57.8	17%	0.169	31%	0.306	C	S	.	.			trans	59.8	13.9	-173.4	-80.2	-107	0	0	0	114.3	L244 D245 P246 H276 F426 P467	L244-Y249 HydrophobicContact CD1-CD1 3.83Å; L244-Y249 HydrophobicContact CD1-CG 4.46Å; D245-Y249 VanDerWaalsContact O-CA 3.28Å; D245-Y249 WeakPolarHBondContact O-CA 3.19Å; D245-Y249 PolarHBondContact O-N 3.43Å; P246-Y249 VanDerWaalsContact O-CE2 3.25Å; P246-Y249 WeakPolarHBondContact O-CE2 3.36Å; Y249-H276 AromaticContact CD1-CE1 3.7Å; Y249-H276 AromaticContact CD1-CG 3.97Å; Y249-H276 AromaticContact CD1-ND1 3.55Å; Y249-H276 AromaticContact CE1-CE1 3.9Å; Y249-F426 HydrophobicContact CD1-CB 4.46Å; Y249-F426 HydrophobicContact CD1-CD1 4.27Å; Y249-F426 HydrophobicContact CD2-CB 4.43Å; Y249-F426 HydrophobicContact CD2-CD1 4.33Å; Y249-F426 AromaticContact CE1-CD1 3.52Å; Y249-F426 HydrophobicContact CE1-CD1 3.52Å; Y249-F426 HydrophobicContact CE1-CE1 4.01Å; Y249-F426 HydrophobicContact CE1-CG 4.27Å; Y249-F426 AromaticContact CE2-CD1 3.63Å; Y249-F426 HydrophobicContact CE2-CD1 3.63Å; Y249-F426 HydrophobicContact CE2-CE1 4.39Å; Y249-F426 HydrophobicContact CG-CB 4.44Å; Y249-F426 AromaticContact CZ-CD1 3.18Å; Y249-F426 AromaticContact CZ-CE1 3.63Å; Y249-F426 VanDerWaalsContact OH-CD1 3.24Å; Y249-F426 WeakPolarHBondContact OH-CD1 3.49Å; Y249-F426 WeakPolarHBondContact OH-CE1 3.48Å; Y249-P467 HydrophobicContact CE1-CG 4.45Å
250	K	97.9	Very high	97.7	Very high	60 Å²	60	57.3 Å²	57.3	26%	0.261	30%	0.301	S	S	.	.	S	Bend	trans	-77.1	155.1	167.4	-70.3	-173.4	175.9	-169.5	0	109.6	L244 D245 T248 I278 E318	L244-K250 CarbonylContact C-O 3.6Å; L244-K250 VanDerWaalsContact CA-O 3.25Å; L244-K250 WeakPolarHBondContact CA-O 3.31Å; L244-K250 WeakPolarHBondContact CB-O 3.39Å; D245-K250 PolarHBondContact N-O 3.49Å; T248-K250 PolarHBondContact O-N 2.95Å; T248-K250 VanDerWaalsContact O-N 3.15Å; T248-K250 PolarHBondContact OG1-N 3.07Å; K250-I278 HydrophobicContact CG-CG2 3.67Å; K250-E318 IonicContact NZ-OE1 3.49Å; K250-E318 IonicContact NZ-OE2 3.05Å; K250-E318 PolarHBondContact NZ-OE2 3.08Å
251	V	98.3	Very high	97.7	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.036	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-57.7	140	171.7	61.3	0	0	0	0	112.1	P221 V242 M253 M256 D280 P281 I285	P221-V251 HydrophobicContact CB-CB 3.94Å; P221-V251 HydrophobicContact CB-CG2 4.04Å; P221-V251 HydrophobicContact CG-CB 3.76Å; P221-V251 HydrophobicContact CG-CG1 4.12Å; P221-V251 HydrophobicContact CG-CG2 3.9Å; V242-V251 HydrophobicContact CB-CG2 3.79Å; V242-V251 HydrophobicContact CG1-CG2 3.54Å; V251-M253 HydrophobicContact CG1-SD 4.13Å; V251-M253 PolarHBondContact O-N 2.97Å; V251-M256 HydrophobicContact CG1-CE 4.49Å; V251-M256 HydrophobicContact CG2-CE 4.02Å; V251-D280 HydrophobicContact CG1-CB 4.16Å; V251-D280 PolarHBondContact N-OD1 2.86Å; V251-D280 VanDerWaalsContact N-OD1 3.16Å; V251-P281 HydrophobicContact CG1-CG 4.19Å; V251-I285 HydrophobicContact CG1-CD1 3.99Å
252	D	98.4	Very high	97.6	Very high	46 Å²	46	62.3 Å²	62.3	25%	0.246	34%	0.337	C	S	.	.			trans	-72.1	111.8	173.5	-174.1	-35.3	0	0	0	110.2	V242 P243 I254 E255 M256	V242-D252 WeakPolarHBondContact CG1-O 3.41Å; P243-D252 PolarHBondContact O-N 3.4Å; D252-I254 VanDerWaalsContact C-N 3.33Å; D252-I254 PolarHBondContact O-N 2.86Å; D252-I254 WeakPolarHBondContact OD1-CA 3.07Å; D252-I254 VanDerWaalsContact OD1-CB 3.31Å; D252-I254 WeakPolarHBondContact OD1-CB 3.13Å; D252-I254 PolarHBondContact OD1-N 3.28Å; D252-E255 HydrophobicContact CB-CB 4.14Å; D252-E255 HydrophobicContact CB-CG 4.38Å; D252-E255 PolarHBondContact O-N 2.88Å; D252-E255 PolarHBondContact OD1-N 3.49Å; D252-M256 WeakPolarHBondContact O-CB 3.41Å; D252-M256 PolarHBondContact O-N 3.3Å
253	M	98.3	Very high	97.6	Very high	33 Å²	33	64.2 Å²	64.2	16%	0.163	35%	0.347	C	S	.	.	H	α-helix	trans	-72.6	-23.9	-178	-71.1	-54.3	-56.6	0	0	113.8	V251 M256 K257 P281 E284 I285 L288	V251-M253 HydrophobicContact CG1-SD 4.13Å; V251-M253 PolarHBondContact O-N 2.97Å; M253-M256 HydrophobicContact CE-SD 4.29Å; M253-M256 HydrophobicContact SD-SD 4.21Å; M253-K257 VanDerWaalsContact O-CB 3.29Å; M253-K257 WeakPolarHBondContact O-CB 3.22Å; M253-K257 PolarHBondContact O-N 3.48Å; M253-K257 VanDerWaalsContact O-N 3.08Å; M253-P281 HydrophobicContact CG-CG 3.72Å; M253-P281 HydrophobicContact SD-CG 3.71Å; M253-E284 HydrophobicContact CE-CB 3.85Å; M253-E284 HydrophobicContact CG-CB 4.23Å; M253-E284 HydrophobicContact SD-CB 4.28Å; M253-I285 HydrophobicContact CE-CG1 3.97Å; M253-I285 HydrophobicContact SD-CG1 3.66Å; M253-L288 HydrophobicContact CE-CD2 4.04Å
254	I	98.1	Very high	97.6	Very high	132 Å²	132	61.7 Å²	61.7	68%	0.677	33%	0.331	S	S	*	.	H	α-helix	trans	-69.4	-48.1	174.4	-61.5	174.8	0	0	0	108.5	D252 K257 S258	D252-I254 VanDerWaalsContact C-N 3.33Å; D252-I254 PolarHBondContact O-N 2.86Å; D252-I254 WeakPolarHBondContact OD1-CA 3.07Å; D252-I254 VanDerWaalsContact OD1-CB 3.31Å; D252-I254 WeakPolarHBondContact OD1-CB 3.13Å; D252-I254 PolarHBondContact OD1-N 3.28Å; I254-K257 PolarHBondContact O-N 3.28Å; I254-S258 PolarHBondContact O-N 2.9Å
255	E	98.2	Very high	97.6	Very high	85 Å²	85	60.4 Å²	60.4	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-71	-33.3	178.3	-68.8	-61.6	165.7	0	0	112.9	V242 P243 D252 K257 S258 S259	V242-E255 HydrophobicContact CG1-CB 3.72Å; P243-E255 HydrophobicContact CG-CB 4.11Å; P243-E255 HydrophobicContact CG-CG 3.98Å; D252-E255 HydrophobicContact CB-CB 4.14Å; D252-E255 HydrophobicContact CB-CG 4.38Å; D252-E255 PolarHBondContact O-N 2.88Å; D252-E255 PolarHBondContact OD1-N 3.49Å; E255-K257 VanDerWaalsContact C-N 3.33Å; E255-K257 PolarHBondContact O-N 2.77Å; E255-S258 WeakPolarHBondContact CA-OG 3.46Å; E255-S258 PolarHBondContact O-N 3.46Å; E255-S258 PolarHBondContact O-OG 2.99Å; E255-S258 PolarHBondContact OE2-OG 3.01Å; E255-S259 VanDerWaalsContact O-CB 3.26Å; E255-S259 WeakPolarHBondContact O-CB 3.42Å; E255-S259 PolarHBondContact O-N 2.82Å; E255-S259 PolarHBondContact O-OG 3.21Å
256	M	98.7	Very high	97.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-43.4	172.8	-179.9	167.3	-90.1	0	0	111.1	V219 P221 V242 V251 D252 M253 S259 V268 I285 L288	V219-M256 HydrophobicContact CG1-CE 4.34Å; V219-M256 HydrophobicContact CG1-CG 4.01Å; P221-M256 HydrophobicContact CG-CE 4.35Å; V242-M256 HydrophobicContact CG1-CB 4.03Å; V242-M256 HydrophobicContact CG2-CB 4.17Å; V251-M256 HydrophobicContact CG1-CE 4.49Å; V251-M256 HydrophobicContact CG2-CE 4.02Å; D252-M256 WeakPolarHBondContact O-CB 3.41Å; D252-M256 PolarHBondContact O-N 3.3Å; M253-M256 HydrophobicContact CE-SD 4.29Å; M253-M256 HydrophobicContact SD-SD 4.21Å; M256-S259 PolarHBondContact O-N 3.3Å; M256-V268 WeakPolarHBondContact CE-O 3.2Å; M256-I285 HydrophobicContact SD-CD1 4.27Å; M256-I285 HydrophobicContact SD-CG1 3.86Å; M256-I285 HydrophobicContact SD-CG2 4.11Å; M256-L288 HydrophobicContact CG-CD2 3.98Å; M256-L288 HydrophobicContact SD-CD2 4.47Å
257	K	98.5	Very high	98	Very high	102 Å²	102	53 Å²	53	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-41.8	177	-179.3	-179.6	176.8	-169.5	0	112.1	M253 I254 E255 S259 I260 L288	M253-K257 VanDerWaalsContact O-CB 3.29Å; M253-K257 WeakPolarHBondContact O-CB 3.22Å; M253-K257 PolarHBondContact O-N 3.48Å; M253-K257 VanDerWaalsContact O-N 3.08Å; I254-K257 PolarHBondContact O-N 3.28Å; E255-K257 VanDerWaalsContact C-N 3.33Å; E255-K257 PolarHBondContact O-N 2.77Å; K257-S259 PolarHBondContact O-N 3.34Å; K257-I260 PolarHBondContact O-N 2.9Å; K257-L288 HydrophobicContact CB-CD1 4.17Å; K257-L288 HydrophobicContact CB-CD2 4.3Å; K257-L288 HydrophobicContact CD-CD1 4.39Å; K257-L288 HydrophobicContact CG-CD1 3.96Å
258	S	98.2	Very high	98.2	Very high	76 Å²	76	46.4 Å²	46.4	53%	0.531	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-26.1	178.2	74.9	0	0	0	0	112.5	I254 E255 I260	I254-S258 PolarHBondContact O-N 2.9Å; E255-S258 WeakPolarHBondContact CA-OG 3.46Å; E255-S258 PolarHBondContact O-N 3.46Å; E255-S258 PolarHBondContact O-OG 2.99Å; E255-S258 PolarHBondContact OE2-OG 3.01Å; S258-I260 VanDerWaalsContact C-N 3.33Å
259	S	98.4	Very high	98.3	Very high	20 Å²	20	43.6 Å²	43.6	14%	0.14	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.7	179.7	-66.6	0	0	0	0	114.6	E255 M256 K257 T261	E255-S259 VanDerWaalsContact O-CB 3.26Å; E255-S259 WeakPolarHBondContact O-CB 3.42Å; E255-S259 PolarHBondContact O-N 2.82Å; E255-S259 PolarHBondContact O-OG 3.21Å; M256-S259 PolarHBondContact O-N 3.3Å; K257-S259 PolarHBondContact O-N 3.34Å; S259-T261 PolarHBondContact O-N 2.75Å
260	I	98.4	Very high	98.4	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.159	22%	0.22	C	C	.	.			trans	-75.6	123.6	178.6	-68.5	172.4	0	0	0	110.2	K257 S258 L267 L288 Y292 I294	K257-I260 PolarHBondContact O-N 2.9Å; S258-I260 VanDerWaalsContact C-N 3.33Å; I260-L267 HydrophobicContact CD1-CD1 4.19Å; I260-L267 HydrophobicContact CD1-CD2 4.15Å; I260-L267 HydrophobicContact CG1-CD2 4.05Å; I260-L288 HydrophobicContact CD1-CD1 3.94Å; I260-L288 HydrophobicContact CD1-CD2 3.61Å; I260-L288 HydrophobicContact CD1-CG 3.62Å; I260-Y292 HydrophobicContact CD1-CD2 4.05Å; I260-Y292 HydrophobicContact CD1-CE2 4.49Å; I260-I294 HydrophobicContact CD1-CD1 4.21Å; I260-I294 HydrophobicContact CG1-CD1 4.31Å; I260-I294 HydrophobicContact CG2-CD1 3.51Å
261	T	97.4	Very high	98.4	Very high	61 Å²	61	38.7 Å²	38.7	37%	0.374	21%	0.207	S	C	.	.			trans	-126.1	167.7	175	50	0	0	0	0	111.1	S259 D263 T264	S259-T261 PolarHBondContact O-N 2.75Å; T261-D263 VanDerWaalsContact CB-OD1 3.23Å; T261-D263 WeakPolarHBondContact CB-OD1 3.31Å; T261-D263 PolarHBondContact O-N 3.47Å; T261-D263 VanDerWaalsContact O-N 3.09Å; T261-D263 PolarHBondContact OG1-OD1 3.26Å; T261-T264 PolarHBondContact N-OG1 3.46Å; T261-T264 WeakPolarHBondContact O-CB 3.28Å; T261-T264 PolarHBondContact O-N 2.84Å; T261-T264 PolarHBondContact O-OG1 3.34Å; T261-T264 PolarHBondContact OG1-OG1 2.97Å
262	D	96.9	Very high	98.4	Very high	165 Å²	165	38.5 Å²	38.5	88%	0.882	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	-177.3	-63.6	-19.3	0	0	0	114.3
263	D	98.2	Very high	98.4	Very high	41 Å²	41	36.6 Å²	36.6	22%	0.219	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.8	175.7	65.8	-34.6	0	0	0	113.6	I213 T217 T261 C265	I213-D263 HydrophobicContact CG2-CB 3.81Å; T217-D263 PolarHBondContact N-O 3.44Å; T217-D263 PolarHBondContact OG1-OD2 2.72Å; T261-D263 VanDerWaalsContact CB-OD1 3.23Å; T261-D263 WeakPolarHBondContact CB-OD1 3.31Å; T261-D263 PolarHBondContact O-N 3.47Å; T261-D263 VanDerWaalsContact O-N 3.09Å; T261-D263 PolarHBondContact OG1-OD1 3.26Å; D263-C265 PolarHBondContact O-N 2.89Å
264	T	98.7	Very high	98.4	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117.3	179.6	-51.9	0	0	0	0	110.8	T217 V219 T261 L267 I294	T217-T264 CarbonylContact O-C 3.43Å; T217-T264 WeakPolarHBondContact O-CA 3.44Å; V219-T264 HydrophobicContact CG2-CG2 3.85Å; T261-T264 PolarHBondContact N-OG1 3.46Å; T261-T264 WeakPolarHBondContact O-CB 3.28Å; T261-T264 PolarHBondContact O-N 2.84Å; T261-T264 PolarHBondContact O-OG1 3.34Å; T261-T264 PolarHBondContact OG1-OG1 2.97Å; T264-L267 HydrophobicContact CG2-CD2 4.09Å; T264-I294 HydrophobicContact CG2-CD1 4Å; T264-I294 HydrophobicContact CG2-CG2 4.01Å
265	C	98.6	Very high	98.4	Very high	4 Å²	4	34 Å²	34	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-19.4	-178.2	67.9	0	0	0	0	114.6	A208 P216 T217 D263 P295	A208-C265 HydrophobicContact CB-CB 3.53Å; P216-C265 HydrophobicContact CB-CB 3.82Å; T217-C265 PolarHBondContact O-N 3.49Å; T217-C265 PolarHBondContact O-SG 3.4Å; D263-C265 PolarHBondContact O-N 2.89Å; C265-P295 WeakPolarHBondContact O-CD 3.45Å
266	M	98.9	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	149.7	175.3	63.7	-171.7	-68	0	0	112.5	C201 Y204 M218 V219 F228 V268 P295 H297	C201-M266 HydrophobicContact CB-SD 4.24Å; Y204-M266 HydrophobicContact CD2-CB 3.82Å; Y204-M266 HydrophobicContact CD2-CE 3.88Å; Y204-M266 HydrophobicContact CD2-CG 4.48Å; Y204-M266 HydrophobicContact CD2-SD 3.91Å; Y204-M266 HydrophobicContact CE2-CE 4.32Å; Y204-M266 HydrophobicContact CG-CB 4.24Å; M218-M266 HydrophobicContact CB-CG 3.5Å; M218-M266 VanDerWaalsContact CB-CG 3.5Å; M218-M266 HydrophobicContact CB-SD 4.17Å; M218-M266 HydrophobicContact SD-SD 4.43Å; V219-M266 PolarHBondContact N-O 3.19Å; V219-M266 VanDerWaalsContact N-O 3.09Å; F228-M266 HydrophobicContact CE1-CE 4.11Å; M266-V268 HydrophobicContact CE-CG2 3.63Å; M266-P295 CarbonylContact C-O 2.92Å; M266-P295 VanDerWaalsContact CA-O 3.27Å; M266-P295 WeakPolarHBondContact CA-O 3.41Å; M266-H297 HydrophobicContact CE-CB 3.74Å
267	L	98.9	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.3	163.8	-52.4	-179.3	0	0	0	109.8	V219 I260 T264 I285 L288 I294 P295 V296 H297	V219-L267 HydrophobicContact CB-CD2 3.79Å; V219-L267 HydrophobicContact CG1-CD2 4.38Å; V219-L267 HydrophobicContact CG2-CD2 4.32Å; I260-L267 HydrophobicContact CD1-CD1 4.19Å; I260-L267 HydrophobicContact CD1-CD2 4.15Å; I260-L267 HydrophobicContact CG1-CD2 4.05Å; T264-L267 HydrophobicContact CG2-CD2 4.09Å; L267-I285 HydrophobicContact CB-CG2 4Å; L267-I285 HydrophobicContact CD1-CG2 4.42Å; L267-L288 HydrophobicContact CD1-CB 4.24Å; L267-L288 HydrophobicContact CD1-CD2 3.95Å; L267-L288 HydrophobicContact CD1-CG 3.98Å; L267-I294 HydrophobicContact CD2-CG2 4.37Å; L267-I294 HydrophobicContact CG-CB 4.5Å; L267-I294 HydrophobicContact CG-CG2 3.91Å; L267-P295 PolarHBondContact N-O 3.13Å; L267-V296 HydrophobicContact CB-CG2 4.29Å; L267-V296 HydrophobicContact CD1-CG2 4.46Å; L267-V296 WeakPolarHBondContact O-CA 3.25Å; L267-H297 PolarHBondContact O-N 3.39Å
268	V	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.8	-180	177.1	0	0	0	0	110.9	V219 I220 P221 A224 F228 M256 M266 H297	V219-V268 PolarHBondContact O-N 3.4Å; I220-V268 HydrophobicContact CB-CB 4.08Å; I220-V268 HydrophobicContact CB-CG2 4.4Å; I220-V268 HydrophobicContact CG2-CB 3.69Å; I220-V268 HydrophobicContact CG2-CG1 4.47Å; I220-V268 HydrophobicContact CG2-CG2 3.47Å; I220-V268 VanDerWaalsContact CG2-CG2 3.47Å; P221-V268 WeakPolarHBondContact CD-O 3.44Å; A224-V268 HydrophobicContact CB-CG1 4.43Å; F228-V268 HydrophobicContact CD1-CG2 4.07Å; F228-V268 HydrophobicContact CD2-CG1 4.5Å; F228-V268 HydrophobicContact CE1-CB 4.43Å; F228-V268 HydrophobicContact CE1-CG1 3.96Å; F228-V268 HydrophobicContact CE1-CG2 3.55Å; F228-V268 HydrophobicContact CE2-CG1 3.76Å; F228-V268 HydrophobicContact CZ-CB 4.39Å; F228-V268 HydrophobicContact CZ-CG1 3.46Å; F228-V268 VanDerWaalsContact CZ-CG1 3.46Å; F228-V268 HydrophobicContact CZ-CG2 3.96Å; M256-V268 WeakPolarHBondContact CE-O 3.2Å; M266-V268 HydrophobicContact CE-CG2 3.63Å; V268-H297 WeakPolarHBondContact CA-O 3.37Å; V268-H297 HydrophobicContact CG2-CB 4.42Å
269	G	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.3	163	0	0	0	0	0	110.6	H297 V298 D299	G269-H297 PolarHBondContact N-O 3.31Å; G269-H297 VanDerWaalsContact N-O 3.09Å; G269-V298 CarbonylContact O-C 3.44Å; G269-V298 WeakPolarHBondContact O-CA 3.29Å; G269-D299 PolarHBondContact O-N 2.83Å
270	S	98.8	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.7	179.9	-46.7	0	0	0	0	111.2	G273 D280	S270-G273 VanDerWaalsContact CB-CA 3.48Å; S270-D280 PolarHBondContact N-OD2 3.07Å; S270-D280 PolarHBondContact O-N 3.39Å
271	A	98.5	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	80.8	-176.8	0	0	0	0	0	111.5	I279 I282 V298 D299 C300 G303 L307	A271-I279 HydrophobicContact CB-CG2 4.25Å; A271-I282 HydrophobicContact CB-CG1 4.45Å; A271-V298 HydrophobicContact CB-CG1 3.78Å; A271-D299 PolarHBondContact N-O 3.09Å; A271-C300 HydrophobicContact CB-CB 4.41Å; A271-C300 PolarHBondContact O-SG 3.06Å; A271-C300 VanDerWaalsContact O-SG 3.34Å; A271-G303 VanDerWaalsContact O-CA 3.3Å; A271-G303 WeakPolarHBondContact O-CA 3.42Å; A271-G303 PolarHBondContact O-N 3.28Å; A271-L307 HydrophobicContact CB-CD1 3.64Å; A271-L307 WeakPolarHBondContact O-CD1 3.45Å
272	P	98.4	Very high	98.4	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.019	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.5	169.5	-12.8	38.2	-35.9	0	0	0	112.2	I278 I279 L302 V431	P272-I278 CarbonylContact C-O 3.51Å; P272-I278 WeakPolarHBondContact CA-O 3.42Å; P272-I278 WeakPolarHBondContact CB-O 3.49Å; P272-I279 HydrophobicContact CB-CG1 3.97Å; P272-L302 HydrophobicContact CG-CD2 4.19Å; P272-V431 HydrophobicContact CB-CG2 4.05Å; P272-V431 HydrophobicContact CG-CB 3.94Å; P272-V431 HydrophobicContact CG-CG1 4.25Å; P272-V431 HydrophobicContact CG-CG2 3.9Å
273	G	97.9	Very high	98.4	Very high	5 Å²	5	14.8 Å²	14.8	5%	0.052	8%	0.076	C	C	.	.			trans	-64.3	137.5	167.1	0	0	0	0	0	112.4	S270 G277 I278	S270-G273 VanDerWaalsContact CB-CA 3.48Å; G273-G277 WeakPolarHBondContact O-CA 3.45Å; G273-G277 PolarHBondContact O-N 2.88Å; G273-I278 PolarHBondContact N-O 2.85Å
274	F	98.4	Very high	98.4	Very high	81 Å²	81	17.6 Å²	17.6	36%	0.355	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-43	178.9	174	-94.9	0	0	0	114.3	H471	F274-H471 AromaticContact CD1-CE1 3.84Å; F274-H471 AromaticContact CE1-CE1 3.43Å; F274-H471 VanDerWaalsContact CE1-CE1 3.43Å; F274-H471 WeakPolarHBondContact CE1-CE1 3.41Å; F274-H471 AromaticContact CE1-NE2 3.93Å; F274-H471 AromaticContact CE2-CE1 3.69Å; F274-H471 AromaticContact CE2-NE2 3.76Å; F274-H471 AromaticContact CZ-CE1 3.34Å; F274-H471 WeakPolarHBondContact CZ-CE1 3.43Å; F274-H471 AromaticContact CZ-NE2 3.42Å; F274-H471 WeakPolarHBondContact CZ-NE2 3.35Å; F274-H471 PolarHBondContact O-CE1 3.45Å; F274-H471 PolarHBondContact O-ND1 2.81Å
275	P	98	Very high	98.4	Very high	30 Å²	30	17.1 Å²	17.1	20%	0.195	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-55	-173	-24.3	35.1	0	0	0	112.6	T223 A435 L464 H471	T223-P275 HydrophobicContact CG2-CG 4.4Å; P275-A435 WeakPolarHBondContact O-CB 3.38Å; P275-L464 WeakPolarHBondContact O-CD1 3.33Å; P275-H471 PolarHBondContact O-ND1 2.99Å
276	H	98.2	Very high	98.5	Very high	10 Å²	10	17.1 Å²	17.1	5%	0.046	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-6.9	-168.8	-52.7	118.2	0	0	0	114.6	Y249 I278 F426 A435	Y249-H276 AromaticContact CD1-CE1 3.7Å; Y249-H276 AromaticContact CD1-CG 3.97Å; Y249-H276 AromaticContact CD1-ND1 3.55Å; Y249-H276 AromaticContact CE1-CE1 3.9Å; H276-I278 VanDerWaalsContact C-N 3.26Å; H276-I278 HydrophobicContact CB-CG1 3.87Å; H276-I278 PolarHBondContact O-N 3.21Å; H276-F426 HydrophobicContact CB-CB 4.46Å; H276-A435 HydrophobicContact CB-CB 4.28Å
277	G	97.9	Very high	98.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.			trans	72.1	18.8	-177.5	0	0	0	0	0	114.6	G273	G273-G277 WeakPolarHBondContact O-CA 3.45Å; G273-G277 PolarHBondContact O-N 2.88Å
278	I	98.1	Very high	98.4	Very high	12 Å²	12	22.3 Å²	22.3	6%	0.062	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-90.6	135.6	179.5	-54.9	-59.2	0	0	0	110	K250 P272 G273 H276 P429	K250-I278 HydrophobicContact CG-CG2 3.67Å; P272-I278 CarbonylContact C-O 3.51Å; P272-I278 WeakPolarHBondContact CA-O 3.42Å; P272-I278 WeakPolarHBondContact CB-O 3.49Å; G273-I278 PolarHBondContact N-O 2.85Å; H276-I278 VanDerWaalsContact C-N 3.26Å; H276-I278 HydrophobicContact CB-CG1 3.87Å; H276-I278 PolarHBondContact O-N 3.21Å; I278-P429 HydrophobicContact CD1-CB 4.27Å
279	I	98.3	Very high	98.4	Very high	19 Å²	19	22.3 Å²	22.3	10%	0.097	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-84.6	123.6	169.5	-57	175.4	0	0	0	107.7	A271 P272 I282 L307 I317 N430 V431	A271-I279 HydrophobicContact CB-CG2 4.25Å; P272-I279 HydrophobicContact CB-CG1 3.97Å; I279-I282 HydrophobicContact CG2-CG1 4.25Å; I279-L307 HydrophobicContact CD1-CD1 4.35Å; I279-L307 HydrophobicContact CD1-CD2 3.9Å; I279-I317 HydrophobicContact CD1-CG2 4.44Å; I279-N430 WeakPolarHBondContact CD1-OD1 3.33Å; I279-V431 HydrophobicContact CD1-CG2 3.66Å; I279-V431 HydrophobicContact CG1-CG2 3.8Å
280	D	98.5	Very high	98.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.011	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-62.6	157.6	171.4	-74.8	-43.8	0	0	0	110.6	P221 V251 S270 I282 I285	P221-D280 WeakPolarHBondContact CG-OD2 3.24Å; V251-D280 HydrophobicContact CG1-CB 4.16Å; V251-D280 PolarHBondContact N-OD1 2.86Å; V251-D280 VanDerWaalsContact N-OD1 3.16Å; S270-D280 PolarHBondContact N-OD2 3.07Å; S270-D280 PolarHBondContact O-N 3.39Å; D280-I282 HydrophobicContact CB-CD1 3.94Å; D280-I282 WeakPolarHBondContact O-CG1 3.46Å; D280-I282 PolarHBondContact O-N 3.29Å; D280-I285 HydrophobicContact CB-CD1 4.01Å
281	P	97.9	Very high	98.3	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.026	17%	0.171	C	C	.	.			trans	-71.3	72.4	178.1	31.6	-35.6	0	0	0	110.9	V251 M253 Q283 E284 I285	V251-P281 HydrophobicContact CG1-CG 4.19Å; M253-P281 HydrophobicContact CG-CG 3.72Å; M253-P281 HydrophobicContact SD-CG 3.71Å; P281-Q283 PolarHBondContact O-N 3.46Å; P281-E284 HydrophobicContact CB-CB 4.24Å; P281-E284 HydrophobicContact CB-CG 4.24Å; P281-E284 WeakPolarHBondContact CB-OE1 3.24Å; P281-E284 PolarHBondContact O-N 2.69Å; P281-I285 WeakPolarHBondContact O-CG1 3.32Å; P281-I285 PolarHBondContact O-N 2.88Å
282	I	98.7	Very high	98.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-36.2	-170.5	-55.3	-53.6	0	0	0	111.6	A271 I279 D280 I285 A286 V298 F320 L324 V327	A271-I282 HydrophobicContact CB-CG1 4.45Å; I279-I282 HydrophobicContact CG2-CG1 4.25Å; D280-I282 HydrophobicContact CB-CD1 3.94Å; D280-I282 WeakPolarHBondContact O-CG1 3.46Å; D280-I282 PolarHBondContact O-N 3.29Å; I282-I285 HydrophobicContact CD1-CD1 4.45Å; I282-I285 PolarHBondContact O-N 2.88Å; I282-A286 VanDerWaalsContact O-CB 3.24Å; I282-A286 WeakPolarHBondContact O-CB 3.49Å; I282-A286 PolarHBondContact O-N 2.97Å; I282-V298 HydrophobicContact CD1-CG1 4.17Å; I282-V298 HydrophobicContact CG1-CG1 4.38Å; I282-V298 HydrophobicContact CG2-CG1 4.4Å; I282-V298 HydrophobicContact CG2-CG2 3.55Å; I282-F320 HydrophobicContact CB-CB 4.34Å; I282-F320 HydrophobicContact CG1-CB 4.15Å; I282-F320 HydrophobicContact CG2-CB 4.45Å; I282-L324 HydrophobicContact CB-CD1 4.44Å; I282-L324 HydrophobicContact CG2-CD1 3.86Å; I282-V327 HydrophobicContact CG2-CG2 4.22Å
283	Q	98.5	Very high	98.2	Very high	88 Å²	88	50 Å²	50	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-58.9	-49	174.9	179.9	172	-21.9	0	0	112	P281 I285 A286 E287 L324	P281-Q283 PolarHBondContact O-N 3.46Å; Q283-I285 PolarHBondContact O-N 2.9Å; Q283-A286 PolarHBondContact O-N 2.91Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.46Å; Q283-E287 PolarHBondContact NE2-OE1 2.62Å; Q283-E287 WeakPolarHBondContact O-CG 3.4Å; Q283-E287 PolarHBondContact O-N 2.88Å; Q283-L324 HydrophobicContact CB-CD1 4.26Å; Q283-L324 HydrophobicContact CB-CD2 4.18Å; Q283-L324 HydrophobicContact CG-CD2 4.01Å
284	E	98.4	Very high	98.2	Very high	100 Å²	100	50.4 Å²	50.4	47%	0.467	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-38.8	179.3	-61.4	-179.9	-118.9	0	0	111.6	M253 P281 E287 L288	M253-E284 HydrophobicContact CE-CB 3.85Å; M253-E284 HydrophobicContact CG-CB 4.23Å; M253-E284 HydrophobicContact SD-CB 4.28Å; P281-E284 HydrophobicContact CB-CB 4.24Å; P281-E284 HydrophobicContact CB-CG 4.24Å; P281-E284 WeakPolarHBondContact CB-OE1 3.24Å; P281-E284 PolarHBondContact O-N 2.69Å; E284-E287 PolarHBondContact O-N 3.22Å; E284-L288 WeakPolarHBondContact O-CB 3.43Å; E284-L288 PolarHBondContact O-N 3.19Å
285	I	98.8	Very high	98.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.9	-58.1	171.8	0	0	0	110.6	V251 M253 M256 L267 D280 P281 I282 Q283 L288 G289 V296	V251-I285 HydrophobicContact CG1-CD1 3.99Å; M253-I285 HydrophobicContact CE-CG1 3.97Å; M253-I285 HydrophobicContact SD-CG1 3.66Å; M256-I285 HydrophobicContact SD-CD1 4.27Å; M256-I285 HydrophobicContact SD-CG1 3.86Å; M256-I285 HydrophobicContact SD-CG2 4.11Å; L267-I285 HydrophobicContact CB-CG2 4Å; L267-I285 HydrophobicContact CD1-CG2 4.42Å; D280-I285 HydrophobicContact CB-CD1 4.01Å; P281-I285 WeakPolarHBondContact O-CG1 3.32Å; P281-I285 PolarHBondContact O-N 2.88Å; I282-I285 HydrophobicContact CD1-CD1 4.45Å; I282-I285 PolarHBondContact O-N 2.88Å; Q283-I285 PolarHBondContact O-N 2.9Å; I285-L288 WeakPolarHBondContact O-CB 3.47Å; I285-L288 PolarHBondContact O-N 3.45Å; I285-G289 PolarHBondContact O-N 3.02Å; I285-V296 HydrophobicContact CG2-CG1 3.72Å
286	A	98.8	Very high	98.3	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-43.6	177.3	0	0	0	0	0	111.7	I282 Q283 L288 G289 Y290 L324 G326 V327	I282-A286 VanDerWaalsContact O-CB 3.24Å; I282-A286 WeakPolarHBondContact O-CB 3.49Å; I282-A286 PolarHBondContact O-N 2.97Å; Q283-A286 PolarHBondContact O-N 2.91Å; A286-L288 VanDerWaalsContact C-N 3.28Å; A286-L288 PolarHBondContact O-N 2.67Å; A286-G289 PolarHBondContact O-N 2.98Å; A286-Y290 VanDerWaalsContact O-CB 3.28Å; A286-Y290 WeakPolarHBondContact O-CB 3.34Å; A286-Y290 PolarHBondContact O-N 3.15Å; A286-L324 HydrophobicContact CB-CB 3.9Å; A286-L324 HydrophobicContact CB-CD1 4.06Å; A286-G326 WeakPolarHBondContact O-CA 3.35Å; A286-V327 HydrophobicContact CB-CG2 3.89Å
287	E	98.6	Very high	98.3	Very high	99 Å²	99	45.2 Å²	45.2	46%	0.463	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-39.6	174.3	-73	172.3	-165.6	0	0	111.6	Q283 E284 R291	Q283-E287 WeakPolarHBondContact CG-OE1 3.46Å; Q283-E287 PolarHBondContact NE2-OE1 2.62Å; Q283-E287 WeakPolarHBondContact O-CG 3.4Å; Q283-E287 PolarHBondContact O-N 2.88Å; E284-E287 PolarHBondContact O-N 3.22Å; E287-R291 VanDerWaalsContact O-CB 3.3Å; E287-R291 WeakPolarHBondContact O-CB 3.37Å; E287-R291 PolarHBondContact O-N 3.18Å
288	L	98.3	Very high	98.4	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-51.5	175.8	-172.5	66	0	0	0	111.5	M253 M256 K257 I260 L267 E284 I285 A286 Y290 R291 Y292	M253-L288 HydrophobicContact CE-CD2 4.04Å; M256-L288 HydrophobicContact CG-CD2 3.98Å; M256-L288 HydrophobicContact SD-CD2 4.47Å; K257-L288 HydrophobicContact CB-CD1 4.17Å; K257-L288 HydrophobicContact CB-CD2 4.3Å; K257-L288 HydrophobicContact CD-CD1 4.39Å; K257-L288 HydrophobicContact CG-CD1 3.96Å; I260-L288 HydrophobicContact CD1-CD1 3.94Å; I260-L288 HydrophobicContact CD1-CD2 3.61Å; I260-L288 HydrophobicContact CD1-CG 3.62Å; L267-L288 HydrophobicContact CD1-CB 4.24Å; L267-L288 HydrophobicContact CD1-CD2 3.95Å; L267-L288 HydrophobicContact CD1-CG 3.98Å; E284-L288 WeakPolarHBondContact O-CB 3.43Å; E284-L288 PolarHBondContact O-N 3.19Å; I285-L288 WeakPolarHBondContact O-CB 3.47Å; I285-L288 PolarHBondContact O-N 3.45Å; A286-L288 VanDerWaalsContact C-N 3.28Å; A286-L288 PolarHBondContact O-N 2.67Å; L288-Y290 VanDerWaalsContact C-N 3.33Å; L288-Y290 PolarHBondContact O-N 3.47Å; L288-R291 PolarHBondContact O-N 2.87Å; L288-Y292 HydrophobicContact CD1-CD2 3.6Å; L288-Y292 HydrophobicContact CD1-CE2 3.39Å; L288-Y292 HydrophobicContact CG-CD2 4.18Å; L288-Y292 HydrophobicContact CG-CE2 4.43Å; L288-Y292 WeakPolarHBondContact O-CD2 3.25Å; L288-Y292 PolarHBondContact O-N 2.97Å
289	G	98.6	Very high	98.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-40.3	177.7	0	0	0	0	0	112.7	I285 A286 Y292 N293 I294	I285-G289 PolarHBondContact O-N 3.02Å; A286-G289 PolarHBondContact O-N 2.98Å; G289-Y292 PolarHBondContact O-N 3.27Å; G289-N293 CarbonylContact O-C 3.18Å; G289-N293 WeakPolarHBondContact O-CA 3.39Å; G289-N293 PolarHBondContact O-N 2.94Å; G289-I294 CarbonylContact C-O 3.54Å; G289-I294 VanDerWaalsContact CA-O 3.28Å; G289-I294 WeakPolarHBondContact CA-O 3.31Å; G289-I294 PolarHBondContact O-N 3.04Å
290	Y	98.1	Very high	98.5	Very high	164 Å²	164	44.3 Å²	44.3	64%	0.643	20%	0.198	S	C	*	.	H	α-helix	trans	-62.2	-45.8	174.7	-171.7	-95.2	0	0	0	111.9	A286 L288 Y292 N293 P325	A286-Y290 VanDerWaalsContact O-CB 3.28Å; A286-Y290 WeakPolarHBondContact O-CB 3.34Å; A286-Y290 PolarHBondContact O-N 3.15Å; L288-Y290 VanDerWaalsContact C-N 3.33Å; L288-Y290 PolarHBondContact O-N 3.47Å; Y290-Y292 PolarHBondContact O-N 3.31Å; Y290-N293 PolarHBondContact O-N 3.12Å; Y290-P325 HydrophobicContact CD2-CB 4.04Å; Y290-P325 HydrophobicContact CE2-CB 4.06Å
291	R	98	Very high	98.5	Very high	172 Å²	172	44.5 Å²	44.5	65%	0.649	20%	0.199	S	C	*	.	H	α-helix	trans	-62.3	-40.3	179.9	179	176.7	-67.9	159.8	2.2	113	E287 L288	E287-R291 VanDerWaalsContact O-CB 3.3Å; E287-R291 WeakPolarHBondContact O-CB 3.37Å; E287-R291 PolarHBondContact O-N 3.18Å; L288-R291 PolarHBondContact O-N 2.87Å
292	Y	97.5	Very high	98.5	Very high	106 Å²	106	44.6 Å²	44.6	42%	0.416	20%	0.2	S	C	.	.	H	α-helix	trans	-96.8	4.4	-177.5	-68.8	-76.7	0	0	0	113.6	I260 L288 G289 Y290 I294	I260-Y292 HydrophobicContact CD1-CD2 4.05Å; I260-Y292 HydrophobicContact CD1-CE2 4.49Å; L288-Y292 HydrophobicContact CD1-CD2 3.6Å; L288-Y292 HydrophobicContact CD1-CE2 3.39Å; L288-Y292 HydrophobicContact CG-CD2 4.18Å; L288-Y292 HydrophobicContact CG-CE2 4.43Å; L288-Y292 WeakPolarHBondContact O-CD2 3.25Å; L288-Y292 PolarHBondContact O-N 2.97Å; G289-Y292 PolarHBondContact O-N 3.27Å; Y290-Y292 PolarHBondContact O-N 3.31Å; Y292-I294 VanDerWaalsContact C-N 3.27Å; Y292-I294 PolarHBondContact O-N 3.47Å
293	N	97.3	Very high	98.4	Very high	141 Å²	141	44.5 Å²	44.5	75%	0.754	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	41.5	-175.3	-168.8	41.2	0	0	0	113.2	G289 Y290	G289-N293 CarbonylContact O-C 3.18Å; G289-N293 WeakPolarHBondContact O-CA 3.39Å; G289-N293 PolarHBondContact O-N 2.94Å; Y290-N293 PolarHBondContact O-N 3.12Å
294	I	98.5	Very high	98.4	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.077	18%	0.18	C	C	.	.			trans	-109.1	128.5	178.6	-60.5	167.8	0	0	0	108.4	I260 T264 L267 G289 Y292	I260-I294 HydrophobicContact CD1-CD1 4.21Å; I260-I294 HydrophobicContact CG1-CD1 4.31Å; I260-I294 HydrophobicContact CG2-CD1 3.51Å; T264-I294 HydrophobicContact CG2-CD1 4Å; T264-I294 HydrophobicContact CG2-CG2 4.01Å; L267-I294 HydrophobicContact CD2-CG2 4.37Å; L267-I294 HydrophobicContact CG-CB 4.5Å; L267-I294 HydrophobicContact CG-CG2 3.91Å; G289-I294 CarbonylContact C-O 3.54Å; G289-I294 VanDerWaalsContact CA-O 3.28Å; G289-I294 WeakPolarHBondContact CA-O 3.31Å; G289-I294 PolarHBondContact O-N 3.04Å; Y292-I294 VanDerWaalsContact C-N 3.27Å; Y292-I294 PolarHBondContact O-N 3.47Å
295	P	98.8	Very high	98.4	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.071	16%	0.158	C	C	.	.			trans	-55	138.6	174.8	-25.3	33	0	0	0	113.4	Y204 L207 C265 M266 L267 T328 Y354	Y204-P295 HydrophobicContact CD1-CB 3.44Å; Y204-P295 VanDerWaalsContact CD1-CB 3.44Å; Y204-P295 HydrophobicContact CD1-CG 3.61Å; Y204-P295 HydrophobicContact CD2-CB 4.18Å; Y204-P295 HydrophobicContact CE1-CB 3.35Å; Y204-P295 HydrophobicContact CE1-CG 3.89Å; Y204-P295 HydrophobicContact CE2-CB 4.09Å; Y204-P295 HydrophobicContact CG-CB 3.87Å; Y204-P295 HydrophobicContact CG-CG 4.21Å; L207-P295 HydrophobicContact CD2-CG 4.11Å; C265-P295 WeakPolarHBondContact O-CD 3.45Å; M266-P295 CarbonylContact C-O 2.92Å; M266-P295 VanDerWaalsContact CA-O 3.27Å; M266-P295 WeakPolarHBondContact CA-O 3.41Å; L267-P295 PolarHBondContact N-O 3.13Å; P295-T328 WeakPolarHBondContact CA-OG1 3.4Å; P295-T328 HydrophobicContact CB-CG2 4.44Å; P295-T328 WeakPolarHBondContact CB-OG1 3.2Å; P295-Y354 HydrophobicContact CG-CE1 4.29Å
296	V	98.9	Very high	98.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.5	176.2	-177.5	0	0	0	0	110.1	L267 I285 G326 T328 S329	L267-V296 HydrophobicContact CB-CG2 4.29Å; L267-V296 HydrophobicContact CD1-CG2 4.46Å; L267-V296 WeakPolarHBondContact O-CA 3.25Å; I285-V296 HydrophobicContact CG2-CG1 3.72Å; V296-G326 WeakPolarHBondContact CB-O 3.31Å; V296-G326 WeakPolarHBondContact CG2-O 3.17Å; V296-T328 PolarHBondContact N-OG1 3.49Å; V296-T328 PolarHBondContact O-N 2.9Å; V296-T328 PolarHBondContact O-OG1 2.84Å; V296-T328 VanDerWaalsContact O-OG1 3.12Å; V296-S329 PolarHBondContact O-N 3.5Å
297	H	99	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	171.4	-174	82.1	0	0	0	110.9	A200 Y204 F228 M266 L267 V268 G269 S329 S331	A200-H297 WeakPolarHBondContact CB-ND1 3.48Å; Y204-H297 HydrophobicContact CE2-CB 4.28Å; F228-H297 AromaticContact CZ-CD2 3.84Å; M266-H297 HydrophobicContact CE-CB 3.74Å; L267-H297 PolarHBondContact O-N 3.39Å; V268-H297 WeakPolarHBondContact CA-O 3.37Å; V268-H297 HydrophobicContact CG2-CB 4.42Å; G269-H297 PolarHBondContact N-O 3.31Å; G269-H297 VanDerWaalsContact N-O 3.09Å; H297-S329 WeakPolarHBondContact CA-O 3.34Å; H297-S329 PolarHBondContact ND1-OG 2.95Å; H297-S331 PolarHBondContact NE2-OG 3.04Å
298	V	98.9	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.4	169.6	-174.7	0	0	0	0	108.7	G269 A271 I282 C300 V327 S329 I330 S331	G269-V298 CarbonylContact O-C 3.44Å; G269-V298 WeakPolarHBondContact O-CA 3.29Å; A271-V298 HydrophobicContact CB-CG1 3.78Å; I282-V298 HydrophobicContact CD1-CG1 4.17Å; I282-V298 HydrophobicContact CG1-CG1 4.38Å; I282-V298 HydrophobicContact CG2-CG1 4.4Å; I282-V298 HydrophobicContact CG2-CG2 3.55Å; V298-C300 VanDerWaalsContact C-N 3.32Å; V298-C300 HydrophobicContact CG1-CB 4.33Å; V298-C300 PolarHBondContact O-N 3.03Å; V298-V327 HydrophobicContact CG2-CB 4.48Å; V298-V327 HydrophobicContact CG2-CG1 3.79Å; V298-V327 HydrophobicContact CG2-CG2 3.84Å; V298-S329 PolarHBondContact N-O 3.35Å; V298-I330 HydrophobicContact CB-CG1 4.24Å; V298-I330 HydrophobicContact CB-CG2 4.44Å; V298-I330 WeakPolarHBondContact O-CA 3.49Å; V298-S331 PolarHBondContact O-N 3.28Å; V298-S331 VanDerWaalsContact O-N 3.13Å
299	D	98.9	Very high	98.3	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.059	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	89	169.8	-178.2	3.9	0	0	0	109.2	F228 G269 A271 C301 S331	F228-D299 HydrophobicContact CE2-CB 4.21Å; F228-D299 HydrophobicContact CZ-CB 4.23Å; G269-D299 PolarHBondContact O-N 2.83Å; A271-D299 PolarHBondContact N-O 3.09Å; D299-C301 WeakPolarHBondContact OD1-CB 3.46Å; D299-C301 PolarHBondContact OD1-N 2.89Å; D299-C301 PolarHBondContact OD1-SG 2.69Å; D299-S331 PolarHBondContact OD1-OG 3.05Å
300	C	98.7	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.14	C	C	.	.			trans	-102	22.5	174.7	-159.3	0	0	0	0	111	F179 A271 V298 L302 G303 G304 I330 S331	F179-C300 HydrophobicContact CE1-CB 3.99Å; F179-C300 HydrophobicContact CZ-CB 4.19Å; A271-C300 HydrophobicContact CB-CB 4.41Å; A271-C300 PolarHBondContact O-SG 3.06Å; A271-C300 VanDerWaalsContact O-SG 3.34Å; V298-C300 VanDerWaalsContact C-N 3.32Å; V298-C300 HydrophobicContact CG1-CB 4.33Å; V298-C300 PolarHBondContact O-N 3.03Å; C300-L302 PolarHBondContact O-N 3.17Å; C300-G303 PolarHBondContact O-N 2.74Å; C300-G304 VanDerWaalsContact O-CA 3.22Å; C300-G304 WeakPolarHBondContact O-CA 3.31Å; C300-G304 PolarHBondContact O-N 2.79Å; C300-G304 WeakPolarHBondContact SG-CA 3.49Å; C300-G304 PolarHBondContact SG-N 2.72Å; C300-I330 HydrophobicContact CB-CG2 3.7Å; C300-S331 CarbonylContact C-O 3.51Å; C300-S331 WeakPolarHBondContact CA-O 3.47Å; C300-S331 VanDerWaalsContact CB-O 3.28Å; C300-S331 WeakPolarHBondContact CB-O 3.47Å; C300-S331 PolarHBondContact N-O 3.11Å; C300-S331 VanDerWaalsContact N-O 3.13Å
301	C	98.8	Very high	98.1	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.041	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-45.9	-178.8	-74.9	0	0	0	0	110.6	G193 D299 S331 D333	G193-C301 VanDerWaalsContact CA-SG 3.55Å; D299-C301 WeakPolarHBondContact OD1-CB 3.46Å; D299-C301 PolarHBondContact OD1-N 2.89Å; D299-C301 PolarHBondContact OD1-SG 2.69Å; C301-S331 PolarHBondContact N-O 3.08Å; C301-S331 VanDerWaalsContact N-O 3.11Å; C301-S331 WeakPolarHBondContact SG-CB 3.43Å; C301-S331 PolarHBondContact SG-OG 3.32Å; C301-D333 WeakPolarHBondContact CB-OD2 3.38Å; C301-D333 VanDerWaalsContact O-CB 3.28Å; C301-D333 WeakPolarHBondContact O-CB 3.25Å; C301-D333 PolarHBondContact O-N 2.7Å
302	L	98.3	Very high	98	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-41.9	179.2	-176.6	62.6	0	0	0	113.3	P272 C300 K336 Y337 V433	P272-L302 HydrophobicContact CG-CD2 4.19Å; C300-L302 PolarHBondContact O-N 3.17Å; L302-K336 HydrophobicContact CD1-CD 3.93Å; L302-Y337 HydrophobicContact CD1-CE2 3.73Å; L302-Y337 HydrophobicContact CG-CE2 4.32Å; L302-Y337 WeakPolarHBondContact O-CD2 3.16Å; L302-Y337 WeakPolarHBondContact O-CE2 3.42Å; L302-V433 HydrophobicContact CD2-CG2 3.61Å
303	G	97.8	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.7	-175.7	0	0	0	0	0	115	A271 C300 F305 L306 L307	A271-G303 VanDerWaalsContact O-CA 3.3Å; A271-G303 WeakPolarHBondContact O-CA 3.42Å; A271-G303 PolarHBondContact O-N 3.28Å; C300-G303 PolarHBondContact O-N 2.74Å; G303-F305 VanDerWaalsContact C-N 3.34Å; G303-F305 PolarHBondContact O-N 3Å; G303-F305 VanDerWaalsContact O-N 3.12Å; G303-L306 CarbonylContact O-C 3.54Å; G303-L306 WeakPolarHBondContact O-CA 3.44Å; G303-L306 PolarHBondContact O-N 3.05Å; G303-L307 WeakPolarHBondContact O-CG 3.3Å; G303-L307 PolarHBondContact O-N 3.01Å
304	G	96.9	Very high	98	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.3	-155.1	0	0	0	0	0	118.1	F179 C300 P308	F179-G304 WeakPolarHBondContact CZ-O 3.38Å; C300-G304 VanDerWaalsContact O-CA 3.22Å; C300-G304 WeakPolarHBondContact O-CA 3.31Å; C300-G304 PolarHBondContact O-N 2.79Å; C300-G304 WeakPolarHBondContact SG-CA 3.49Å; C300-G304 PolarHBondContact SG-N 2.72Å; G304-P308 WeakPolarHBondContact O-CD 3.36Å; G304-P308 VanDerWaalsContact O-CG 3.26Å; G304-P308 WeakPolarHBondContact O-CG 3.38Å
305	F	98.4	Very high	97.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	17	170.9	-82	-97.8	0	0	0	112.5	M178 G303 F309 C332 T334 Y337 G338 M391 Y399	M178-F305 HydrophobicContact CE-CD1 3.66Å; M178-F305 HydrophobicContact CE-CD2 4.45Å; M178-F305 HydrophobicContact CE-CE1 3.67Å; M178-F305 HydrophobicContact CE-CE2 4.44Å; M178-F305 HydrophobicContact CE-CG 4.06Å; M178-F305 HydrophobicContact CE-CZ 4.06Å; M178-F305 HydrophobicContact SD-CD1 4.36Å; M178-F305 HydrophobicContact SD-CE1 3.82Å; M178-F305 HydrophobicContact SD-CZ 4.18Å; G303-F305 VanDerWaalsContact C-N 3.34Å; G303-F305 PolarHBondContact O-N 3Å; G303-F305 VanDerWaalsContact O-N 3.12Å; F305-F309 HydrophobicContact CD1-CE2 4.24Å; F305-F309 WeakPolarHBondContact O-CD2 3.43Å; F305-C332 VanDerWaalsContact CD2-SG 3.57Å; F305-C332 WeakPolarHBondContact CE2-SG 3.13Å; F305-T334 HydrophobicContact CE2-CG2 3.58Å; F305-T334 HydrophobicContact CZ-CG2 3.78Å; F305-Y337 VanDerWaalsContact CB-O 3.32Å; F305-Y337 WeakPolarHBondContact CB-O 3.25Å; F305-G338 VanDerWaalsContact CB-N 3.29Å; F305-G338 VanDerWaalsContact CD1-CA 3.48Å; F305-M391 HydrophobicContact CE1-CE 4.11Å; F305-M391 HydrophobicContact CE1-CG 4.39Å; F305-M391 HydrophobicContact CZ-CE 3.93Å; F305-M391 HydrophobicContact CZ-CG 4.47Å; F305-M391 HydrophobicContact CZ-SD 4.28Å; F305-Y399 HydrophobicContact CD1-CD1 4.01Å; F305-Y399 HydrophobicContact CD1-CD2 4.38Å; F305-Y399 AromaticContact CD1-CE1 3.61Å; F305-Y399 HydrophobicContact CD1-CE1 3.61Å; F305-Y399 HydrophobicContact CD1-CE2 4.01Å; F305-Y399 HydrophobicContact CD1-CG 4.4Å; F305-Y399 AromaticContact CD1-CZ 3.6Å; F305-Y399 HydrophobicContact CE1-CE1 4.14Å; F305-Y399 AromaticContact CE1-CE2 3.91Å; F305-Y399 HydrophobicContact CE1-CE2 3.91Å; F305-Y399 AromaticContact CE1-CZ 3.65Å
306	L	98.6	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-59.2	168.4	-64.6	175.8	0	0	0	109.8	G303 F309 M310 Y337 T403 I406 V431	G303-L306 CarbonylContact O-C 3.54Å; G303-L306 WeakPolarHBondContact O-CA 3.44Å; G303-L306 PolarHBondContact O-N 3.05Å; L306-F309 PolarHBondContact O-N 3.47Å; L306-M310 WeakPolarHBondContact O-CG 3.3Å; L306-M310 PolarHBondContact O-N 3.03Å; L306-M310 VanDerWaalsContact O-N 3.14Å; L306-Y337 HydrophobicContact CD1-CD1 3.89Å; L306-Y337 HydrophobicContact CD1-CD2 3.57Å; L306-Y337 HydrophobicContact CD1-CE1 3.87Å; L306-Y337 HydrophobicContact CD1-CE2 3.53Å; L306-Y337 HydrophobicContact CD1-CG 3.75Å; L306-Y337 HydrophobicContact CD2-CD1 3.93Å; L306-Y337 HydrophobicContact CD2-CG 3.99Å; L306-Y337 HydrophobicContact CG-CD1 3.97Å; L306-Y337 HydrophobicContact CG-CD2 3.77Å; L306-Y337 HydrophobicContact CG-CE1 4.46Å; L306-Y337 HydrophobicContact CG-CE2 4.26Å; L306-Y337 HydrophobicContact CG-CG 3.61Å; L306-T403 HydrophobicContact CD2-CG2 4.18Å; L306-I406 HydrophobicContact CD1-CG2 4.29Å; L306-I406 HydrophobicContact CD2-CB 4.38Å; L306-I406 HydrophobicContact CD2-CD1 4.02Å; L306-I406 HydrophobicContact CD2-CG2 4.27Å; L306-V431 HydrophobicContact CB-CG1 4.22Å; L306-V431 HydrophobicContact CD1-CG1 3.71Å
307	L	98.3	Very high	97.3	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-52.7	-45.9	-171.5	-58.1	-169.6	0	0	0	113.3	A271 I279 G303 F309 M310 I317 F320 V431	A271-L307 HydrophobicContact CB-CD1 3.64Å; A271-L307 WeakPolarHBondContact O-CD1 3.45Å; I279-L307 HydrophobicContact CD1-CD1 4.35Å; I279-L307 HydrophobicContact CD1-CD2 3.9Å; G303-L307 WeakPolarHBondContact O-CG 3.3Å; G303-L307 PolarHBondContact O-N 3.01Å; L307-F309 PolarHBondContact O-N 3.24Å; L307-F309 VanDerWaalsContact O-N 3.09Å; L307-M310 HydrophobicContact CD2-SD 3.59Å; L307-M310 VanDerWaalsContact CD2-SD 3.59Å; L307-M310 PolarHBondContact O-N 3.37Å; L307-I317 HydrophobicContact CB-CD1 3.61Å; L307-I317 HydrophobicContact CD1-CD1 4.34Å; L307-I317 HydrophobicContact CD2-CD1 3.65Å; L307-I317 HydrophobicContact CG-CD1 4.03Å; L307-F320 HydrophobicContact CB-CD1 4.44Å; L307-F320 HydrophobicContact CB-CD2 4.28Å; L307-F320 HydrophobicContact CB-CE1 3.86Å; L307-F320 HydrophobicContact CB-CE2 3.65Å; L307-F320 HydrophobicContact CB-CZ 3.43Å; L307-F320 VanDerWaalsContact CB-CZ 3.43Å; L307-F320 HydrophobicContact CD1-CD1 4.41Å; L307-F320 HydrophobicContact CD1-CD2 3.88Å; L307-F320 HydrophobicContact CD1-CE2 4.09Å; L307-F320 HydrophobicContact CD1-CG 4.07Å; L307-F320 HydrophobicContact CD1-CZ 4.47Å; L307-V431 HydrophobicContact CD2-CB 4.46Å; L307-V431 HydrophobicContact CD2-CG1 3.91Å; L307-V431 HydrophobicContact CD2-CG2 3.64Å
308	P	97.7	Very high	97	Very high	17 Å²	17	31.9 Å²	31.9	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-21.8	178.5	-27.4	38.7	0	0	0	114.9	M178 F179 G304 F320	M178-P308 HydrophobicContact CB-CB 4.29Å; M178-P308 HydrophobicContact CB-CG 4.45Å; M178-P308 HydrophobicContact CE-CB 4.4Å; M178-P308 HydrophobicContact CE-CG 4.17Å; F179-P308 HydrophobicContact CD2-CG 4.38Å; F179-P308 HydrophobicContact CE1-CG 4.31Å; F179-P308 HydrophobicContact CE2-CG 4.08Å; F179-P308 HydrophobicContact CZ-CG 4.08Å; G304-P308 WeakPolarHBondContact O-CD 3.36Å; G304-P308 VanDerWaalsContact O-CG 3.26Å; G304-P308 WeakPolarHBondContact O-CG 3.38Å; P308-F320 HydrophobicContact CG-CZ 4.35Å
309	F	98.1	Very high	96.8	Very high	11 Å²	11	33 Å²	33	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-105.3	-9.6	-176.6	-52.9	-72.5	0	0	0	113.1	M178 F305 L306 L307 E311 N312 V313 E396 Y399 T403	M178-F309 HydrophobicContact CE-CE2 3.62Å; M178-F309 HydrophobicContact CE-CZ 3.63Å; M178-F309 HydrophobicContact CG-CZ 4.34Å; M178-F309 HydrophobicContact SD-CZ 4.1Å; F305-F309 HydrophobicContact CD1-CE2 4.24Å; F305-F309 WeakPolarHBondContact O-CD2 3.43Å; L306-F309 PolarHBondContact O-N 3.47Å; L307-F309 PolarHBondContact O-N 3.24Å; L307-F309 VanDerWaalsContact O-N 3.09Å; F309-E311 PolarHBondContact O-N 2.59Å; F309-N312 PolarHBondContact O-N 3.44Å; F309-V313 WeakPolarHBondContact O-CG2 3.25Å; F309-V313 PolarHBondContact O-N 2.95Å; F309-E396 HydrophobicContact CD1-CG 4.27Å; F309-E396 HydrophobicContact CE1-CG 4.08Å; F309-Y399 HydrophobicContact CE1-CD2 4.47Å; F309-Y399 HydrophobicContact CE1-CG 4.5Å; F309-Y399 VanDerWaalsContact CE2-CB 3.49Å; F309-Y399 HydrophobicContact CE2-CD1 4.45Å; F309-Y399 HydrophobicContact CE2-CD2 4.2Å; F309-Y399 AromaticContact CE2-CG 3.82Å; F309-Y399 HydrophobicContact CE2-CG 3.82Å; F309-Y399 AromaticContact CZ-CD2 3.77Å; F309-Y399 HydrophobicContact CZ-CD2 3.77Å; F309-Y399 AromaticContact CZ-CG 3.81Å; F309-Y399 HydrophobicContact CZ-CG 3.81Å; F309-T403 HydrophobicContact CB-CG2 4.29Å
310	M	98	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-40.9	-172.7	-81.5	-176.3	66.9	0	0	112.7	L306 L307 N312 V313 G314 Y315 I317 T403 I407 N430 V431	L306-M310 WeakPolarHBondContact O-CG 3.3Å; L306-M310 PolarHBondContact O-N 3.03Å; L306-M310 VanDerWaalsContact O-N 3.14Å; L307-M310 HydrophobicContact CD2-SD 3.59Å; L307-M310 VanDerWaalsContact CD2-SD 3.59Å; L307-M310 PolarHBondContact O-N 3.37Å; M310-N312 PolarHBondContact O-N 3.33Å; M310-V313 WeakPolarHBondContact O-CG2 3.34Å; M310-V313 PolarHBondContact O-N 3.42Å; M310-G314 PolarHBondContact O-N 3.4Å; M310-Y315 CarbonylContact C-O 3.56Å; M310-Y315 WeakPolarHBondContact CB-O 3.43Å; M310-Y315 CarbonylContact O-C 3.39Å; M310-Y315 PolarHBondContact O-N 3.35Å; M310-I317 HydrophobicContact CE-CG2 3.64Å; M310-I317 HydrophobicContact SD-CD1 4.35Å; M310-I317 HydrophobicContact SD-CG2 4.18Å; M310-T403 HydrophobicContact CG-CG2 3.73Å; M310-I407 HydrophobicContact CE-CD1 4.04Å; M310-I407 HydrophobicContact CE-CG1 4.29Å; M310-I407 HydrophobicContact CE-CG2 4.35Å; M310-I407 HydrophobicContact CG-CD1 4.34Å; M310-I407 HydrophobicContact CG-CG1 4.17Å; M310-I407 HydrophobicContact SD-CD1 3.93Å; M310-I407 HydrophobicContact SD-CG1 4.35Å; M310-N430 WeakPolarHBondContact CE-O 3.44Å; M310-V431 HydrophobicContact SD-CG1 4.46Å
311	E	95.3	Very high	96.7	Very high	116 Å²	116	32.7 Å²	32.7	54%	0.542	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59	-47.2	175.8	-172.7	173.5	-179.1	0	0	111.1	F309 V313 G314	F309-E311 PolarHBondContact O-N 2.59Å; E311-V313 PolarHBondContact O-N 2.87Å; E311-G314 PolarHBondContact O-N 2.9Å; E311-G314 VanDerWaalsContact O-N 3.07Å
312	N	95.9	Very high	96.7	Very high	97 Å²	97	32.7 Å²	32.7	52%	0.519	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-61	-18.3	179.7	-65.8	-2.5	0	0	0	113.9	F309 M310 E396	F309-N312 PolarHBondContact O-N 3.44Å; M310-N312 PolarHBondContact O-N 3.33Å; N312-E396 PolarHBondContact ND2-OE1 3.42Å; N312-E396 VanDerWaalsContact ND2-OE1 3.14Å
313	V	97.2	Very high	96.7	Very high	25 Å²	25	38 Å²	38	15%	0.152	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-113.1	15	-180	-59.1	0	0	0	0	114	F309 M310 E311 Y315 C400 T403 K404	F309-V313 WeakPolarHBondContact O-CG2 3.25Å; F309-V313 PolarHBondContact O-N 2.95Å; M310-V313 WeakPolarHBondContact O-CG2 3.34Å; M310-V313 PolarHBondContact O-N 3.42Å; E311-V313 PolarHBondContact O-N 2.87Å; V313-Y315 HydrophobicContact CG2-CD2 3.92Å; V313-C400 HydrophobicContact CG1-CB 3.69Å; V313-C400 WeakPolarHBondContact CG1-O 3.3Å; V313-T403 HydrophobicContact CG2-CG2 3.99Å; V313-K404 HydrophobicContact CB-CB 4.05Å; V313-K404 HydrophobicContact CB-CG 4.46Å; V313-K404 HydrophobicContact CG1-CB 4.17Å; V313-K404 HydrophobicContact CG2-CB 4.33Å
314	G	96.6	Very high	96.7	Very high	57 Å²	57	39 Å²	39	59%	0.588	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	22.5	172.4	0	0	0	0	0	115	M310 E311	M310-G314 PolarHBondContact O-N 3.4Å; E311-G314 PolarHBondContact O-N 2.9Å; E311-G314 VanDerWaalsContact O-N 3.07Å
315	Y	95.7	Very high	96.8	Very high	62 Å²	62	43.1 Å²	43.1	24%	0.243	24%	0.24	C	C	.	.			trans	-123.1	69.1	174.5	-62	-69.4	0	0	0	110.6	M310 V313 I407 R411	M310-Y315 CarbonylContact C-O 3.56Å; M310-Y315 WeakPolarHBondContact CB-O 3.43Å; M310-Y315 CarbonylContact O-C 3.39Å; M310-Y315 PolarHBondContact O-N 3.35Å; V313-Y315 HydrophobicContact CG2-CD2 3.92Å; Y315-I407 HydrophobicContact CD1-CG2 3.81Å; Y315-I407 HydrophobicContact CD2-CB 3.89Å; Y315-I407 HydrophobicContact CD2-CG2 3.49Å; Y315-I407 VanDerWaalsContact CD2-CG2 3.49Å; Y315-I407 HydrophobicContact CE1-CG2 3.97Å; Y315-I407 HydrophobicContact CE2-CB 3.91Å; Y315-I407 HydrophobicContact CE2-CG2 3.68Å; Y315-I407 HydrophobicContact CG-CB 4.45Å; Y315-I407 HydrophobicContact CG-CG2 3.57Å; Y315-R411 HydrophobicContact CE1-CG 4.49Å
316	P	93.4	Very high	96.8	Very high	102 Å²	102	43.3 Å²	43.3	66%	0.662	24%	0.242	S	C	*	.			trans	-60.1	148.9	-177.9	28.1	-35.8	0	0	0	111.8
317	I	93.7	Very high	96.8	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.185	24%	0.242	C	C	.	.			trans	-136.6	156.9	-179.7	54.5	178	0	0	0	109.7	I279 L307 M310 F320	I279-I317 HydrophobicContact CD1-CG2 4.44Å; L307-I317 HydrophobicContact CB-CD1 3.61Å; L307-I317 HydrophobicContact CD1-CD1 4.34Å; L307-I317 HydrophobicContact CD2-CD1 3.65Å; L307-I317 HydrophobicContact CG-CD1 4.03Å; M310-I317 HydrophobicContact CE-CG2 3.64Å; M310-I317 HydrophobicContact SD-CD1 4.35Å; M310-I317 HydrophobicContact SD-CG2 4.18Å; I317-F320 HydrophobicContact CD1-CD1 3.69Å; I317-F320 HydrophobicContact CD1-CE1 3.44Å; I317-F320 VanDerWaalsContact CD1-CE1 3.44Å; I317-F320 HydrophobicContact CD1-CZ 4.3Å; I317-F320 HydrophobicContact CG1-CD1 4.22Å; I317-F320 HydrophobicContact CG1-CE1 4.08Å
318	E	92.5	Very high	96.8	Very high	117 Å²	117	43.5 Å²	43.5	55%	0.547	24%	0.243	S	C	.	.			trans	-59.9	158.6	173.8	-69.1	171.2	-178.6	0	0	111.5	K250 F320	K250-E318 IonicContact NZ-OE1 3.49Å; K250-E318 IonicContact NZ-OE2 3.05Å; K250-E318 PolarHBondContact NZ-OE2 3.08Å; E318-F320 WeakPolarHBondContact O-CD1 3.44Å; E318-F320 PolarHBondContact O-N 3.5Å
319	G	94.2	Very high	96.9	Very high	23 Å²	23	42.7 Å²	42.7	24%	0.237	24%	0.238	C	C	.	.			trans	-59.9	135	179.4	0	0	0	0	0	112.3	L324	G319-L324 WeakPolarHBondContact O-CD1 3.2Å
320	F	97.7	Very high	96.9	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	24%	0.235	C	C	.	.			trans	-140.9	-3.7	-175.3	66.6	-86.5	0	0	0	114.7	F179 I282 L307 P308 I317 E318	F179-F320 HydrophobicContact CD1-CD2 4.43Å; F179-F320 AromaticContact CD1-CE2 3.84Å; F179-F320 HydrophobicContact CD1-CE2 3.84Å; F179-F320 HydrophobicContact CE1-CD2 4.24Å; F179-F320 AromaticContact CE1-CE2 3.67Å; F179-F320 HydrophobicContact CE1-CE2 3.67Å; I282-F320 HydrophobicContact CB-CB 4.34Å; I282-F320 HydrophobicContact CG1-CB 4.15Å; I282-F320 HydrophobicContact CG2-CB 4.45Å; L307-F320 HydrophobicContact CB-CD1 4.44Å; L307-F320 HydrophobicContact CB-CD2 4.28Å; L307-F320 HydrophobicContact CB-CE1 3.86Å; L307-F320 HydrophobicContact CB-CE2 3.65Å; L307-F320 HydrophobicContact CB-CZ 3.43Å; L307-F320 VanDerWaalsContact CB-CZ 3.43Å; L307-F320 HydrophobicContact CD1-CD1 4.41Å; L307-F320 HydrophobicContact CD1-CD2 3.88Å; L307-F320 HydrophobicContact CD1-CE2 4.09Å; L307-F320 HydrophobicContact CD1-CG 4.07Å; L307-F320 HydrophobicContact CD1-CZ 4.47Å; P308-F320 HydrophobicContact CG-CZ 4.35Å; I317-F320 HydrophobicContact CD1-CD1 3.69Å; I317-F320 HydrophobicContact CD1-CE1 3.44Å; I317-F320 VanDerWaalsContact CD1-CE1 3.44Å; I317-F320 HydrophobicContact CD1-CZ 4.3Å; I317-F320 HydrophobicContact CG1-CD1 4.22Å; I317-F320 HydrophobicContact CG1-CE1 4.08Å; E318-F320 WeakPolarHBondContact O-CD1 3.44Å; E318-F320 PolarHBondContact O-N 3.5Å
321	D	98.4	Very high	96.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-122.5	-163.6	-167.1	66.6	23	0	0	0	113.5	F179 H180 R323 L324 I330	F179-D321 HydrophobicContact CB-CB 4.17Å; F179-D321 HydrophobicContact CD1-CB 3.85Å; F179-D321 HydrophobicContact CG-CB 4.5Å; F179-D321 WeakPolarHBondContact O-CB 3.29Å; H180-D321 IonicContact CE1-OD2 2.87Å; H180-D321 IonicContact CG-OD2 3.3Å; H180-D321 IonicContact ND1-OD1 3.47Å; H180-D321 IonicContact ND1-OD2 3.85Å; H180-D321 PolarHBondContact ND1-OD2 3.28Å; D321-R323 PolarHBondContact O-N 2.95Å; D321-R323 VanDerWaalsContact OD1-CB 3.24Å; D321-R323 WeakPolarHBondContact OD1-CB 3.34Å; D321-R323 WeakPolarHBondContact OD1-CG 3.44Å; D321-R323 IonicContact OD1-CZ 3.5Å; D321-R323 PolarHBondContact OD1-N 3.36Å; D321-R323 IonicContact OD1-NE 3.85Å; D321-R323 PolarHBondContact OD1-NE 2.88Å; D321-R323 IonicContact OD1-NH2 3.12Å; D321-R323 IonicContact OD2-CZ 2.92Å; D321-R323 IonicContact OD2-NE 3.44Å; D321-R323 PolarHBondContact OD2-NE 3.44Å; D321-R323 VanDerWaalsContact OD2-NE 3.15Å; D321-R323 IonicContact OD2-NH2 2.92Å; D321-R323 PolarHBondContact OD2-NH2 2.94Å; D321-L324 WeakPolarHBondContact O-CB 3.41Å; D321-L324 PolarHBondContact O-N 3.48Å; D321-I330 HydrophobicContact CB-CD1 4Å
322	F	98.7	Very high	97.1	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.7	-175.5	-69.3	-62	0	0	0	114.5	F179 L324 V327 I330 M348 R350	F179-F322 HydrophobicContact CB-CD2 4.13Å; F179-F322 HydrophobicContact CB-CE2 4.46Å; F179-F322 WeakPolarHBondContact O-CB 3.46Å; F179-F322 PolarHBondContact O-N 2.98Å; F322-L324 PolarHBondContact O-N 3.49Å; F322-V327 HydrophobicContact CD1-CG1 4.18Å; F322-V327 HydrophobicContact CE1-CG1 4.31Å; F322-I330 HydrophobicContact CD1-CD1 4.3Å; F322-I330 HydrophobicContact CD2-CD1 3.8Å; F322-I330 HydrophobicContact CE1-CD1 4.25Å; F322-I330 HydrophobicContact CE1-CG1 4.14Å; F322-I330 HydrophobicContact CE2-CD1 3.75Å; F322-I330 HydrophobicContact CE2-CG1 4.11Å; F322-I330 HydrophobicContact CG-CD1 4.08Å; F322-I330 HydrophobicContact CZ-CB 4.37Å; F322-I330 HydrophobicContact CZ-CD1 3.98Å; F322-I330 HydrophobicContact CZ-CG1 3.87Å; F322-M348 HydrophobicContact CE2-CB 3.77Å; F322-M348 HydrophobicContact CE2-SD 4.25Å; F322-M348 HydrophobicContact CZ-CB 3.74Å; F322-R350 HydrophobicContact CD1-CB 4.24Å; F322-R350 HydrophobicContact CE1-CB 4.07Å; F322-R350 PolarHBondContact O-NH1 3.36Å; F322-R350 VanDerWaalsContact O-NH1 3.17Å; F322-R350 PolarHBondContact O-NH2 2.88Å
323	R	97.9	Very high	97.2	Very high	118 Å²	118	32.2 Å²	32.2	45%	0.445	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27	167.6	-70	174.5	-71.9	179.8	-5	112.2	H180 D321 P325	H180-R323 HydrophobicContact CB-CG 3.64Å; H180-R323 PolarHBondContact ND1-NE 3.01Å; D321-R323 PolarHBondContact O-N 2.95Å; D321-R323 VanDerWaalsContact OD1-CB 3.24Å; D321-R323 WeakPolarHBondContact OD1-CB 3.34Å; D321-R323 WeakPolarHBondContact OD1-CG 3.44Å; D321-R323 IonicContact OD1-CZ 3.5Å; D321-R323 PolarHBondContact OD1-N 3.36Å; D321-R323 IonicContact OD1-NE 3.85Å; D321-R323 PolarHBondContact OD1-NE 2.88Å; D321-R323 IonicContact OD1-NH2 3.12Å; D321-R323 IonicContact OD2-CZ 2.92Å; D321-R323 IonicContact OD2-NE 3.44Å; D321-R323 PolarHBondContact OD2-NE 3.44Å; D321-R323 VanDerWaalsContact OD2-NE 3.15Å; D321-R323 IonicContact OD2-NH2 2.92Å; D321-R323 PolarHBondContact OD2-NH2 2.94Å; R323-P325 WeakPolarHBondContact O-CD 3.32Å
324	L	98.4	Very high	97.3	Very high	21 Å²	21	31 Å²	31	11%	0.11	18%	0.179	C	C	.	.	S	Bend	trans	-84.5	113.7	175.3	-61.5	177.2	0	0	0	110.4	I282 Q283 A286 G319 D321 F322 G326 V327 R350	I282-L324 HydrophobicContact CB-CD1 4.44Å; I282-L324 HydrophobicContact CG2-CD1 3.86Å; Q283-L324 HydrophobicContact CB-CD1 4.26Å; Q283-L324 HydrophobicContact CB-CD2 4.18Å; Q283-L324 HydrophobicContact CG-CD2 4.01Å; A286-L324 HydrophobicContact CB-CB 3.9Å; A286-L324 HydrophobicContact CB-CD1 4.06Å; G319-L324 WeakPolarHBondContact O-CD1 3.2Å; D321-L324 WeakPolarHBondContact O-CB 3.41Å; D321-L324 PolarHBondContact O-N 3.48Å; F322-L324 PolarHBondContact O-N 3.49Å; L324-G326 PolarHBondContact O-N 3.07Å; L324-V327 HydrophobicContact CB-CB 4.47Å; L324-V327 HydrophobicContact CB-CG2 3.78Å; L324-V327 HydrophobicContact CD1-CG2 4.1Å; L324-V327 PolarHBondContact O-N 2.93Å; L324-R350 PolarHBondContact O-NH2 3.25Å
325	P	97.7	Very high	97.4	Very high	88 Å²	88	29.8 Å²	29.8	57%	0.571	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.9	-172.1	-28.5	36	0	0	0	115.2	Y290 R323 R350	Y290-P325 HydrophobicContact CD2-CB 4.04Å; Y290-P325 HydrophobicContact CE2-CB 4.06Å; R323-P325 WeakPolarHBondContact O-CD 3.32Å; P325-R350 PolarHBondContact O-NE 3Å
326	G	98.1	Very high	97.5	Very high	5 Å²	5	28.3 Å²	28.3	5%	0.052	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.4	179	0	0	0	0	0	115.6	A286 V296 L324 T328	A286-G326 WeakPolarHBondContact O-CA 3.35Å; V296-G326 WeakPolarHBondContact CB-O 3.31Å; V296-G326 WeakPolarHBondContact CG2-O 3.17Å; L324-G326 PolarHBondContact O-N 3.07Å; G326-T328 PolarHBondContact O-N 3.42Å
327	V	98.8	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	113.8	178.3	173.3	0	0	0	0	109.5	I282 A286 V298 F322 L324 I330 R350	I282-V327 HydrophobicContact CG2-CG2 4.22Å; A286-V327 HydrophobicContact CB-CG2 3.89Å; V298-V327 HydrophobicContact CG2-CB 4.48Å; V298-V327 HydrophobicContact CG2-CG1 3.79Å; V298-V327 HydrophobicContact CG2-CG2 3.84Å; F322-V327 HydrophobicContact CD1-CG1 4.18Å; F322-V327 HydrophobicContact CE1-CG1 4.31Å; L324-V327 HydrophobicContact CB-CB 4.47Å; L324-V327 HydrophobicContact CB-CG2 3.78Å; L324-V327 HydrophobicContact CD1-CG2 4.1Å; L324-V327 PolarHBondContact O-N 2.93Å; V327-I330 HydrophobicContact CG1-CD1 4.01Å; V327-I330 HydrophobicContact CG1-CG1 3.69Å; V327-R350 PolarHBondContact O-NE 3.01Å; V327-R350 PolarHBondContact O-NH2 3.36Å
328	T	98.9	Very high	98	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.043	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-18.2	-176.8	54.8	0	0	0	0	113.3	Y204 P295 V296 G326 Y349 R350 Y354	Y204-T328 WeakPolarHBondContact OH-CB 3.47Å; Y204-T328 PolarHBondContact OH-OG1 3.3Å; P295-T328 WeakPolarHBondContact CA-OG1 3.4Å; P295-T328 HydrophobicContact CB-CG2 4.44Å; P295-T328 WeakPolarHBondContact CB-OG1 3.2Å; V296-T328 PolarHBondContact N-OG1 3.49Å; V296-T328 PolarHBondContact O-N 2.9Å; V296-T328 PolarHBondContact O-OG1 2.84Å; V296-T328 VanDerWaalsContact O-OG1 3.12Å; G326-T328 PolarHBondContact O-N 3.42Å; T328-Y349 CarbonylContact O-C 3.5Å; T328-Y349 WeakPolarHBondContact O-CA 3.48Å; T328-R350 PolarHBondContact O-N 3.46Å; T328-Y354 HydrophobicContact CG2-CE1 4.41Å; T328-Y354 HydrophobicContact CG2-CE2 3.73Å
329	S	98.9	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	154.6	173.4	56.6	0	0	0	0	113.1	Y204 V296 H297 V298 M348	Y204-S329 WeakPolarHBondContact CE2-OG 2.91Å; Y204-S329 WeakPolarHBondContact OH-CB 3.44Å; Y204-S329 PolarHBondContact OH-N 3.4Å; Y204-S329 PolarHBondContact OH-OG 3.04Å; V296-S329 PolarHBondContact O-N 3.5Å; H297-S329 WeakPolarHBondContact CA-O 3.34Å; H297-S329 PolarHBondContact ND1-OG 2.95Å; V298-S329 PolarHBondContact N-O 3.35Å; S329-M348 CarbonylContact C-O 3.5Å; S329-M348 WeakPolarHBondContact CA-O 3.36Å; S329-M348 WeakPolarHBondContact CB-O 3.46Å
330	I	98.9	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.2	177.7	-52.2	176.7	0	0	0	108.7	F179 V298 C300 D321 F322 V327 M348	F179-I330 HydrophobicContact CB-CD1 4.09Å; F179-I330 HydrophobicContact CD1-CD1 3.71Å; F179-I330 HydrophobicContact CD1-CG2 3.89Å; F179-I330 HydrophobicContact CE1-CD1 4.49Å; F179-I330 HydrophobicContact CE1-CG2 3.67Å; F179-I330 HydrophobicContact CG-CD1 4.21Å; F179-I330 HydrophobicContact CZ-CG2 4.2Å; V298-I330 HydrophobicContact CB-CG1 4.24Å; V298-I330 HydrophobicContact CB-CG2 4.44Å; V298-I330 WeakPolarHBondContact O-CA 3.49Å; C300-I330 HydrophobicContact CB-CG2 3.7Å; D321-I330 HydrophobicContact CB-CD1 4Å; F322-I330 HydrophobicContact CD1-CD1 4.3Å; F322-I330 HydrophobicContact CD2-CD1 3.8Å; F322-I330 HydrophobicContact CE1-CD1 4.25Å; F322-I330 HydrophobicContact CE1-CG1 4.14Å; F322-I330 HydrophobicContact CE2-CD1 3.75Å; F322-I330 HydrophobicContact CE2-CG1 4.11Å; F322-I330 HydrophobicContact CG-CD1 4.08Å; F322-I330 HydrophobicContact CZ-CB 4.37Å; F322-I330 HydrophobicContact CZ-CD1 3.98Å; F322-I330 HydrophobicContact CZ-CG1 3.87Å; V327-I330 HydrophobicContact CG1-CD1 4.01Å; V327-I330 HydrophobicContact CG1-CG1 3.69Å; I330-M348 HydrophobicContact CB-CE 3.86Å; I330-M348 HydrophobicContact CG2-CE 3.89Å; I330-M348 PolarHBondContact N-O 2.97Å; I330-M348 PolarHBondContact O-N 3.45Å
331	S	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.6	169.9	52.6	0	0	0	0	111	H297 V298 D299 C300 C301	H297-S331 PolarHBondContact NE2-OG 3.04Å; V298-S331 PolarHBondContact O-N 3.28Å; V298-S331 VanDerWaalsContact O-N 3.13Å; D299-S331 PolarHBondContact OD1-OG 3.05Å; C300-S331 CarbonylContact C-O 3.51Å; C300-S331 WeakPolarHBondContact CA-O 3.47Å; C300-S331 VanDerWaalsContact CB-O 3.28Å; C300-S331 WeakPolarHBondContact CB-O 3.47Å; C300-S331 PolarHBondContact N-O 3.11Å; C300-S331 VanDerWaalsContact N-O 3.13Å; C301-S331 PolarHBondContact N-O 3.08Å; C301-S331 VanDerWaalsContact N-O 3.11Å; C301-S331 WeakPolarHBondContact SG-CB 3.43Å; C301-S331 PolarHBondContact SG-OG 3.32Å
332	C	98.6	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	116	-173.4	176.8	0	0	0	0	111.4	F179 F305 T334 S345 V346 M348	F179-C332 HydrophobicContact CE2-CB 4Å; F179-C332 HydrophobicContact CZ-CB 4.12Å; F305-C332 VanDerWaalsContact CD2-SG 3.57Å; F305-C332 WeakPolarHBondContact CE2-SG 3.13Å; C332-T334 PolarHBondContact O-N 3.01Å; C332-S345 PolarHBondContact O-OG 3.12Å; C332-V346 PolarHBondContact N-O 2.98Å; C332-V346 PolarHBondContact O-N 3.48Å; C332-M348 HydrophobicContact CB-CE 3.93Å
333	D	98.8	Very high	98.3	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.124	C	C	.	.			trans	-85.9	108.2	-179.3	-66.1	-20.5	0	0	0	112	G193 C301 H335 K336 S345	G193-D333 WeakPolarHBondContact CA-OD1 3.44Å; G193-D333 PolarHBondContact N-OD1 2.89Å; C301-D333 WeakPolarHBondContact CB-OD2 3.38Å; C301-D333 VanDerWaalsContact O-CB 3.28Å; C301-D333 WeakPolarHBondContact O-CB 3.25Å; C301-D333 PolarHBondContact O-N 2.7Å; D333-H335 PolarHBondContact O-N 3.37Å; D333-H335 IonicContact OD2-NE2 3.99Å; D333-K336 HydrophobicContact CB-CB 4.02Å; D333-K336 HydrophobicContact CB-CD 3.84Å; D333-K336 HydrophobicContact CB-CG 3.65Å; D333-K336 PolarHBondContact O-N 3.21Å; D333-K336 WeakPolarHBondContact OD2-CD 3.37Å; D333-K336 WeakPolarHBondContact OD2-CE 3.37Å; D333-K336 IonicContact OD2-NZ 3.61Å; D333-K336 PolarHBondContact OD2-NZ 3.39Å; D333-S345 WeakPolarHBondContact OD1-CB 3.44Å; D333-S345 PolarHBondContact OD1-OG 3.14Å
334	T	98.6	Very high	98.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.2	170.7	53.3	0	0	0	0	111.7	F305 C332 K336 G338 F339 A340 T344 V346 C387	F305-T334 HydrophobicContact CE2-CG2 3.58Å; F305-T334 HydrophobicContact CZ-CG2 3.78Å; C332-T334 PolarHBondContact O-N 3.01Å; T334-K336 PolarHBondContact O-N 3.4Å; T334-G338 CarbonylContact O-C 3.51Å; T334-G338 WeakPolarHBondContact O-CA 3.26Å; T334-G338 PolarHBondContact O-N 2.96Å; T334-F339 PolarHBondContact O-N 3.25Å; T334-F339 VanDerWaalsContact O-N 3.15Å; T334-A340 WeakPolarHBondContact O-CB 3.45Å; T334-A340 PolarHBondContact O-N 3.1Å; T334-T344 VanDerWaalsContact OG1-C 3.28Å; T334-T344 VanDerWaalsContact OG1-CB 3.25Å; T334-T344 WeakPolarHBondContact OG1-CB 3.37Å; T334-T344 PolarHBondContact OG1-O 3.13Å; T334-T344 PolarHBondContact OG1-OG1 2.86Å; T334-V346 HydrophobicContact CG2-CG2 4.03Å; T334-C387 VanDerWaalsContact CB-SG 3.52Å; T334-C387 PolarHBondContact OG1-SG 2.93Å; T334-C387 VanDerWaalsContact OG1-SG 3.39Å
335	H	98.3	Very high	98.3	Very high	30 Å²	30	17.1 Å²	17.1	14%	0.139	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.9	178	71.9	-142.5	0	0	0	115.8	D333 A340 P341 K342 T344	D333-H335 PolarHBondContact O-N 3.37Å; D333-H335 IonicContact OD2-NE2 3.99Å; H335-A340 WeakPolarHBondContact CA-O 3.43Å; H335-P341 VanDerWaalsContact CB-O 3.25Å; H335-P341 WeakPolarHBondContact CB-O 3.41Å; H335-K342 HydrophobicContact CB-CD 4.32Å; H335-K342 PolarHBondContact O-NZ 3.19Å; H335-T344 WeakPolarHBondContact CB-O 3.39Å; H335-T344 PolarHBondContact N-O 3.22Å; H335-T344 PolarHBondContact ND1-N 3.06Å; H335-T344 PolarHBondContact ND1-O 3.27Å
336	K	98.4	Very high	98.4	Very high	32 Å²	32	13 Å²	13	14%	0.139	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-112	173.4	-67.3	-172.4	177.4	146.5	0	109.2	Y133 L302 D333 T334 G338 F339	Y133-K336 WeakPolarHBondContact CB-O 3.45Å; Y133-K336 VanDerWaalsContact CD1-C 3.43Å; Y133-K336 HydrophobicContact CD1-CB 4.01Å; Y133-K336 HydrophobicContact CD2-CB 4.41Å; Y133-K336 HydrophobicContact CE1-CB 3.64Å; Y133-K336 HydrophobicContact CE1-CD 4.46Å; Y133-K336 HydrophobicContact CE1-CG 4.05Å; Y133-K336 HydrophobicContact CE2-CB 4.06Å; Y133-K336 HydrophobicContact CE2-CG 3.82Å; Y133-K336 HydrophobicContact CG-CB 4.39Å; Y133-K336 WeakPolarHBondContact OH-CD 3.44Å; L302-K336 HydrophobicContact CD1-CD 3.93Å; D333-K336 HydrophobicContact CB-CB 4.02Å; D333-K336 HydrophobicContact CB-CD 3.84Å; D333-K336 HydrophobicContact CB-CG 3.65Å; D333-K336 PolarHBondContact O-N 3.21Å; D333-K336 WeakPolarHBondContact OD2-CD 3.37Å; D333-K336 WeakPolarHBondContact OD2-CE 3.37Å; D333-K336 IonicContact OD2-NZ 3.61Å; D333-K336 PolarHBondContact OD2-NZ 3.39Å; T334-K336 PolarHBondContact O-N 3.4Å; K336-G338 PolarHBondContact O-N 3.3Å; K336-F339 PolarHBondContact O-N 3.39Å
337	Y	98.5	Very high	98.4	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6	178.9	-59.9	-74.8	0	0	0	113.7	Y133 L302 F305 L306 F339 I406 S432 C473 V474	Y133-Y337 AromaticContact CD1-CD1 3.85Å; Y133-Y337 HydrophobicContact CD1-CD1 3.85Å; Y133-Y337 HydrophobicContact CD1-CD2 4.35Å; Y133-Y337 AromaticContact CD1-CE1 3.75Å; Y133-Y337 HydrophobicContact CD1-CE1 3.75Å; Y133-Y337 HydrophobicContact CD1-CE2 4.3Å; Y133-Y337 HydrophobicContact CD1-CG 4.15Å; Y133-Y337 AromaticContact CD1-CZ 3.97Å; Y133-Y337 HydrophobicContact CE1-CD1 4.33Å; Y133-Y337 HydrophobicContact CE1-CD2 4.15Å; Y133-Y337 AromaticContact CE1-CE1 3.97Å; Y133-Y337 HydrophobicContact CE1-CE1 3.97Å; Y133-Y337 AromaticContact CE1-CE2 3.8Å; Y133-Y337 HydrophobicContact CE1-CE2 3.8Å; Y133-Y337 HydrophobicContact CE1-CG 4.41Å; Y133-Y337 AromaticContact CE1-CZ 3.67Å; L302-Y337 HydrophobicContact CD1-CE2 3.73Å; L302-Y337 HydrophobicContact CG-CE2 4.32Å; L302-Y337 WeakPolarHBondContact O-CD2 3.16Å; L302-Y337 WeakPolarHBondContact O-CE2 3.42Å; F305-Y337 VanDerWaalsContact CB-O 3.32Å; F305-Y337 WeakPolarHBondContact CB-O 3.25Å; L306-Y337 HydrophobicContact CD1-CD1 3.89Å; L306-Y337 HydrophobicContact CD1-CD2 3.57Å; L306-Y337 HydrophobicContact CD1-CE1 3.87Å; L306-Y337 HydrophobicContact CD1-CE2 3.53Å; L306-Y337 HydrophobicContact CD1-CG 3.75Å; L306-Y337 HydrophobicContact CD2-CD1 3.93Å; L306-Y337 HydrophobicContact CD2-CG 3.99Å; L306-Y337 HydrophobicContact CG-CD1 3.97Å; L306-Y337 HydrophobicContact CG-CD2 3.77Å; L306-Y337 HydrophobicContact CG-CE1 4.46Å; L306-Y337 HydrophobicContact CG-CE2 4.26Å; L306-Y337 HydrophobicContact CG-CG 3.61Å; Y337-F339 WeakPolarHBondContact O-CD2 3.49Å; Y337-F339 VanDerWaalsContact O-CE2 3.29Å; Y337-F339 WeakPolarHBondContact O-CE2 3.19Å; Y337-F339 PolarHBondContact O-N 3.43Å; Y337-I406 HydrophobicContact CD1-CD1 3.72Å; Y337-I406 HydrophobicContact CE1-CD1 3.94Å; Y337-I406 HydrophobicContact CE1-CG2 4.3Å; Y337-S432 WeakPolarHBondContact CE2-OG 3.33Å; Y337-S432 VanDerWaalsContact CZ-OG 3.31Å; Y337-S432 WeakPolarHBondContact OH-CB 3.24Å; Y337-S432 PolarHBondContact OH-OG 3.27Å; Y337-C473 PolarHBondContact OH-SG 3.43Å; Y337-V474 PolarHBondContact OH-O 3.09Å; Y337-V474 VanDerWaalsContact OH-O 3.13Å
338	G	98.2	Very high	98.4	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.5	164.7	0	0	0	0	0	112.5	F305 T334 K336 A340 T390 Y399	F305-G338 VanDerWaalsContact CB-N 3.29Å; F305-G338 VanDerWaalsContact CD1-CA 3.48Å; T334-G338 CarbonylContact O-C 3.51Å; T334-G338 WeakPolarHBondContact O-CA 3.26Å; T334-G338 PolarHBondContact O-N 2.96Å; K336-G338 PolarHBondContact O-N 3.3Å; G338-A340 PolarHBondContact O-N 2.88Å; G338-A340 VanDerWaalsContact O-N 3.16Å; G338-T390 WeakPolarHBondContact O-CG2 3.36Å; G338-Y399 PolarHBondContact O-OH 3.43Å
339	F	98.1	Very high	98.4	Very high	5 Å²	5	12.4 Å²	12.4	2%	0.022	7%	0.068	C	C	.	.			trans	62.9	8.7	178.4	-54.3	-55.6	0	0	0	115.6	P134 L139 T334 K336 Y337 T390 H394 Y399 S402 I406 D476	P134-F339 HydrophobicContact CB-CB 4.14Å; P134-F339 HydrophobicContact CB-CD1 3.92Å; P134-F339 HydrophobicContact CB-CG 4.27Å; L139-F339 HydrophobicContact CD2-CB 3.88Å; T334-F339 PolarHBondContact O-N 3.25Å; T334-F339 VanDerWaalsContact O-N 3.15Å; K336-F339 PolarHBondContact O-N 3.39Å; Y337-F339 WeakPolarHBondContact O-CD2 3.49Å; Y337-F339 VanDerWaalsContact O-CE2 3.29Å; Y337-F339 WeakPolarHBondContact O-CE2 3.19Å; Y337-F339 PolarHBondContact O-N 3.43Å; F339-T390 HydrophobicContact CB-CG2 4.02Å; F339-H394 AromaticContact CD2-CE1 3.86Å; F339-H394 AromaticContact CD2-NE2 3.54Å; F339-Y399 HydrophobicContact CD2-CD1 4.39Å; F339-Y399 AromaticContact CD2-CE1 3.99Å; F339-Y399 HydrophobicContact CD2-CE1 3.99Å; F339-Y399 HydrophobicContact CE2-CD1 4.36Å; F339-Y399 HydrophobicContact CE2-CE1 4.38Å; F339-S402 WeakPolarHBondContact CE2-OG 3.41Å; F339-I406 HydrophobicContact CZ-CD1 4.13Å; F339-D476 HydrophobicContact CE1-CB 4.15Å; F339-D476 HydrophobicContact CZ-CB 4.28Å
340	A	98	Very high	98.4	Very high	7 Å²	7	14.6 Å²	14.6	6%	0.058	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-65.7	156.8	175.4	0	0	0	0	0	110.7	T334 H335 G338 C387	T334-A340 WeakPolarHBondContact O-CB 3.45Å; T334-A340 PolarHBondContact O-N 3.1Å; H335-A340 WeakPolarHBondContact CA-O 3.43Å; G338-A340 PolarHBondContact O-N 2.88Å; G338-A340 VanDerWaalsContact O-N 3.16Å; A340-C387 HydrophobicContact CB-CB 4Å
341	P	96.9	Very high	98.4	Very high	37 Å²	37	16.9 Å²	16.9	24%	0.24	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-54.6	156	170.5	-27.2	37.5	0	0	0	112.8	C143 H335 L383 T386	C143-P341 HydrophobicContact CB-CG 4Å; H335-P341 VanDerWaalsContact CB-O 3.25Å; H335-P341 WeakPolarHBondContact CB-O 3.41Å; P341-L383 HydrophobicContact CB-CD2 4.4Å; P341-T386 HydrophobicContact CG-CG2 4.38Å
342	K	97.6	Very high	98.4	Very high	108 Å²	108	22.9 Å²	22.9	47%	0.47	12%	0.117	S	C	.	.	S	Bend	trans	-58.8	141.8	177.3	-61.9	-56.8	-177.1	-173.9	0	111	S131 H335	S131-K342 WeakPolarHBondContact O-CE 3.28Å; S131-K342 PolarHBondContact O-NZ 3.4Å; H335-K342 HydrophobicContact CB-CD 4.32Å; H335-K342 PolarHBondContact O-NZ 3.19Å
343	G	97.6	Very high	98.3	Very high	26 Å²	26	28.1 Å²	28.1	27%	0.268	14%	0.137	S	C	.	.	S	Bend	trans	107.8	14.6	178.9	0	0	0	0	0	115.4	S191	S191-G343 CarbonylContact C-O 3.1Å; S191-G343 WeakPolarHBondContact CA-O 3.35Å; S191-G343 CarbonylContact O-C 3.57Å; S191-G343 WeakPolarHBondContact O-CA 3.46Å
344	T	98.3	Very high	98.3	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.049	14%	0.143	C	C	.	.			trans	-133.9	141.3	175.9	62.3	0	0	0	0	113.9	T190 S191 T334 H335 L383 C387	T190-T344 CarbonylContact O-C 3.51Å; T190-T344 WeakPolarHBondContact O-CA 3.42Å; S191-T344 PolarHBondContact O-N 3.12Å; T334-T344 VanDerWaalsContact OG1-C 3.28Å; T334-T344 VanDerWaalsContact OG1-CB 3.25Å; T334-T344 WeakPolarHBondContact OG1-CB 3.37Å; T334-T344 PolarHBondContact OG1-O 3.13Å; T334-T344 PolarHBondContact OG1-OG1 2.86Å; H335-T344 WeakPolarHBondContact CB-O 3.39Å; H335-T344 PolarHBondContact N-O 3.22Å; H335-T344 PolarHBondContact ND1-N 3.06Å; H335-T344 PolarHBondContact ND1-O 3.27Å; T344-L383 HydrophobicContact CG2-CB 3.8Å; T344-L383 WeakPolarHBondContact CG2-O 3.4Å; T344-C387 HydrophobicContact CG2-CB 4.04Å
345	S	98.9	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	176.5	169.9	177.7	0	0	0	0	108.8	T189 T190 G192 S196 C332 D333	T189-S345 CarbonylContact C-O 3.52Å; T189-S345 WeakPolarHBondContact CA-O 3.3Å; T190-S345 PolarHBondContact N-O 2.84Å; T190-S345 PolarHBondContact O-N 3.23Å; T190-S345 VanDerWaalsContact OG1-CB 3.31Å; T190-S345 WeakPolarHBondContact OG1-CB 3.37Å; G192-S345 VanDerWaalsContact CA-CB 3.43Å; S196-S345 PolarHBondContact OG-OG 3.31Å; C332-S345 PolarHBondContact O-OG 3.12Å; D333-S345 WeakPolarHBondContact OD1-CB 3.44Å; D333-S345 PolarHBondContact OD1-OG 3.14Å
346	V	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.9	177	-177.2	0	0	0	0	109.3	V171 V172 C175 T189 C332 T334 M348	V171-V346 HydrophobicContact CG1-CG2 3.94Å; V172-V346 HydrophobicContact CG2-CG1 4.34Å; C175-V346 HydrophobicContact CB-CB 4.49Å; C175-V346 HydrophobicContact CB-CG1 4.19Å; T189-V346 HydrophobicContact CG2-CG2 4.44Å; C332-V346 PolarHBondContact N-O 2.98Å; C332-V346 PolarHBondContact O-N 3.48Å; T334-V346 HydrophobicContact CG2-CG2 4.03Å; V346-M348 HydrophobicContact CG1-CG 3.85Å
347	I	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.4	163.6	179.8	60.6	0	0	0	108.6	G187 T188 T190 L199 A200 Y349	G187-I347 CarbonylContact C-O 3.56Å; G187-I347 WeakPolarHBondContact CA-O 3.29Å; T188-I347 PolarHBondContact N-O 3.44Å; T188-I347 PolarHBondContact O-N 3.46Å; T188-I347 WeakPolarHBondContact OG1-CG2 3.25Å; T190-I347 HydrophobicContact CG2-CB 4.39Å; T190-I347 HydrophobicContact CG2-CG2 3.72Å; L199-I347 HydrophobicContact CD1-CG2 4.34Å; A200-I347 HydrophobicContact CB-CD1 4.01Å; I347-Y349 HydrophobicContact CB-CE2 4.49Å; I347-Y349 HydrophobicContact CG1-CD2 4.26Å; I347-Y349 HydrophobicContact CG1-CE2 3.52Å; I347-Y349 HydrophobicContact CG2-CE2 4.22Å
348	M	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.7	177.3	-59.8	170.1	-80.2	0	0	110	C175 V176 F179 C186 F322 S329 I330 C332 V346	C175-M348 VanDerWaalsContact C-SD 3.5Å; C175-M348 HydrophobicContact CB-SD 3.83Å; V176-M348 HydrophobicContact CG2-CB 4.39Å; V176-M348 HydrophobicContact CG2-CG 3.9Å; V176-M348 HydrophobicContact CG2-SD 4.03Å; F179-M348 HydrophobicContact CB-CE 4.36Å; F179-M348 HydrophobicContact CB-SD 4.36Å; F179-M348 HydrophobicContact CD1-CE 4.47Å; F179-M348 HydrophobicContact CD2-CE 3.5Å; F179-M348 HydrophobicContact CD2-SD 4.07Å; F179-M348 HydrophobicContact CE2-CE 3.74Å; F179-M348 HydrophobicContact CG-CE 3.87Å; F179-M348 HydrophobicContact CG-SD 4.43Å; F179-M348 HydrophobicContact CZ-CE 4.29Å; C186-M348 CarbonylContact O-C 3.6Å; C186-M348 VanDerWaalsContact O-CA 3.31Å; C186-M348 WeakPolarHBondContact O-CA 3.49Å; F322-M348 HydrophobicContact CE2-CB 3.77Å; F322-M348 HydrophobicContact CE2-SD 4.25Å; F322-M348 HydrophobicContact CZ-CB 3.74Å; S329-M348 CarbonylContact C-O 3.5Å; S329-M348 WeakPolarHBondContact CA-O 3.36Å; S329-M348 WeakPolarHBondContact CB-O 3.46Å; I330-M348 HydrophobicContact CB-CE 3.86Å; I330-M348 HydrophobicContact CG2-CE 3.89Å; I330-M348 PolarHBondContact N-O 2.97Å; I330-M348 PolarHBondContact O-N 3.45Å; C332-M348 HydrophobicContact CB-CE 3.93Å; V346-M348 HydrophobicContact CG1-CG 3.85Å
349	Y	98.9	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.7	176	-64.6	-86.3	0	0	0	109.5	A185 C186 L199 A200 A203 T328 I347 N351 R355 Q358	A185-Y349 WeakPolarHBondContact CA-O 3.32Å; C186-Y349 PolarHBondContact N-O 3.27Å; C186-Y349 PolarHBondContact O-N 3.27Å; C186-Y349 VanDerWaalsContact O-O 3.13Å; L199-Y349 PolarHBondContact O-OH 3.31Å; A200-Y349 PolarHBondContact N-OH 3.13Å; A203-Y349 HydrophobicContact CB-CE1 4.03Å; T328-Y349 CarbonylContact O-C 3.5Å; T328-Y349 WeakPolarHBondContact O-CA 3.48Å; I347-Y349 HydrophobicContact CB-CE2 4.49Å; I347-Y349 HydrophobicContact CG1-CD2 4.26Å; I347-Y349 HydrophobicContact CG1-CE2 3.52Å; I347-Y349 HydrophobicContact CG2-CE2 4.22Å; Y349-N351 PolarHBondContact O-N 3.34Å; Y349-N351 VanDerWaalsContact O-N 3.16Å; Y349-R355 HydrophobicContact CD2-CB 3.72Å; Y349-R355 HydrophobicContact CD2-CG 3.88Å; Y349-R355 HydrophobicContact CE2-CB 4.33Å; Y349-R355 HydrophobicContact CE2-CG 4.22Å; Y349-R355 HydrophobicContact CG-CB 4.1Å; Y349-Q358 PolarHBondContact OH-OE1 3.42Å
350	R	98.6	Very high	98.3	Very high	46 Å²	46	42.5 Å²	42.5	17%	0.174	20%	0.201	C	C	.	.	S	Bend	trans	-57.5	-29.9	177.9	177.6	168.7	-66.4	-75.5	-3.5	112.8	D184 A185 F322 L324 P325 V327 T328 Y354	D184-R350 CarbonylContact C-O 3.55Å; A185-R350 VanDerWaalsContact CA-O 3.23Å; A185-R350 WeakPolarHBondContact CA-O 3.28Å; A185-R350 PolarHBondContact N-O 2.96Å; F322-R350 HydrophobicContact CD1-CB 4.24Å; F322-R350 HydrophobicContact CE1-CB 4.07Å; F322-R350 PolarHBondContact O-NH1 3.36Å; F322-R350 VanDerWaalsContact O-NH1 3.17Å; F322-R350 PolarHBondContact O-NH2 2.88Å; L324-R350 PolarHBondContact O-NH2 3.25Å; P325-R350 PolarHBondContact O-NE 3Å; V327-R350 PolarHBondContact O-NE 3.01Å; V327-R350 PolarHBondContact O-NH2 3.36Å; T328-R350 PolarHBondContact O-N 3.46Å; R350-Y354 HydrophobicContact CB-CD2 4.49Å
351	N	98.5	Very high	98.3	Very high	49 Å²	49	46.5 Å²	46.5	26%	0.262	23%	0.225	S	C	.	.	S	Bend	trans	-158	172.2	177.1	59.4	45.1	0	0	0	112.2	D184 C186 Y349 Y353 Y354 R355	D184-N351 WeakPolarHBondContact O-CA 3.46Å; C186-N351 PolarHBondContact SG-O 3.38Å; C186-N351 VanDerWaalsContact SG-O 3.41Å; Y349-N351 PolarHBondContact O-N 3.34Å; Y349-N351 VanDerWaalsContact O-N 3.16Å; N351-Y353 PolarHBondContact O-N 3.32Å; N351-Y353 VanDerWaalsContact OD1-CB 3.3Å; N351-Y353 WeakPolarHBondContact OD1-CB 3.5Å; N351-Y353 PolarHBondContact OD1-N 2.97Å; N351-Y353 VanDerWaalsContact OD1-N 3.13Å; N351-Y354 PolarHBondContact O-N 2.72Å; N351-Y354 VanDerWaalsContact OD1-CD2 3.25Å; N351-Y354 WeakPolarHBondContact OD1-CD2 3.43Å; N351-Y354 PolarHBondContact OD1-N 3.21Å; N351-R355 PolarHBondContact O-N 2.78Å
352	Q	98.2	Very high	98.3	Very high	126 Å²	126	48.2 Å²	48.2	59%	0.589	23%	0.23	S	C	*	.	H	α-helix	trans	-66.4	-23.7	-179	-57.9	-173.8	6.5	0	0	113.5	C186 R355 S356	C186-Q352 HydrophobicContact CB-CG 4.47Å; Q352-R355 PolarHBondContact O-N 2.61Å; Q352-S356 WeakPolarHBondContact O-CB 3.44Å; Q352-S356 PolarHBondContact O-N 3.11Å; Q352-S356 PolarHBondContact O-OG 2.76Å
353	Y	98.1	Very high	98.3	Very high	109 Å²	109	47.7 Å²	47.7	43%	0.427	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-52.3	177.9	175.5	-107.7	0	0	0	110.2	L207 N351 S356	L207-Y353 HydrophobicContact CD1-CE1 3.56Å; L207-Y353 WeakPolarHBondContact CD1-OH 3.32Å; N351-Y353 PolarHBondContact O-N 3.32Å; N351-Y353 VanDerWaalsContact OD1-CB 3.3Å; N351-Y353 WeakPolarHBondContact OD1-CB 3.5Å; N351-Y353 PolarHBondContact OD1-N 2.97Å; N351-Y353 VanDerWaalsContact OD1-N 3.13Å; Y353-S356 PolarHBondContact O-N 3.11Å; Y353-S356 PolarHBondContact O-OG 3.46Å
354	Y	98.5	Very high	98.3	Very high	38 Å²	38	51.9 Å²	51.9	15%	0.149	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-44.5	175.2	-63.5	-63.4	0	0	0	112.5	Y204 L207 P295 T328 R350 N351 S356 K357	Y204-Y354 HydrophobicContact CD1-CD1 4.32Å; Y204-Y354 AromaticContact CE1-CD1 3.72Å; Y204-Y354 HydrophobicContact CE1-CD1 3.72Å; Y204-Y354 HydrophobicContact CE1-CE1 4.23Å; Y204-Y354 HydrophobicContact CE1-CG 4.29Å; L207-Y354 HydrophobicContact CD2-CD1 3.94Å; L207-Y354 HydrophobicContact CD2-CE1 3.7Å; P295-Y354 HydrophobicContact CG-CE1 4.29Å; T328-Y354 HydrophobicContact CG2-CE1 4.41Å; T328-Y354 HydrophobicContact CG2-CE2 3.73Å; R350-Y354 HydrophobicContact CB-CD2 4.49Å; N351-Y354 PolarHBondContact O-N 2.72Å; N351-Y354 VanDerWaalsContact OD1-CD2 3.25Å; N351-Y354 WeakPolarHBondContact OD1-CD2 3.43Å; N351-Y354 PolarHBondContact OD1-N 3.21Å; Y354-S356 VanDerWaalsContact C-N 3.28Å; Y354-S356 PolarHBondContact O-N 2.93Å; Y354-K357 WeakPolarHBondContact O-CB 3.46Å; Y354-K357 PolarHBondContact O-N 3.32Å; Y354-K357 VanDerWaalsContact O-N 3.16Å
355	R	98.6	Very high	98.3	Very high	48 Å²	48	58.1 Å²	58.1	18%	0.181	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-38.6	-179.8	-171.7	177.8	61.4	170.9	-1.6	112.3	C186 G187 Y349 N351 Q352 K357 Q358 Y359	C186-R355 VanDerWaalsContact SG-CD 3.57Å; C186-R355 PolarHBondContact SG-NE 3.26Å; C186-R355 VanDerWaalsContact SG-NE 3.39Å; G187-R355 WeakPolarHBondContact O-CD 3.14Å; G187-R355 PolarHBondContact O-NH1 3.36Å; Y349-R355 HydrophobicContact CD2-CB 3.72Å; Y349-R355 HydrophobicContact CD2-CG 3.88Å; Y349-R355 HydrophobicContact CE2-CB 4.33Å; Y349-R355 HydrophobicContact CE2-CG 4.22Å; Y349-R355 HydrophobicContact CG-CB 4.1Å; N351-R355 PolarHBondContact O-N 2.78Å; Q352-R355 PolarHBondContact O-N 2.61Å; R355-K357 PolarHBondContact O-N 3.03Å; R355-K357 VanDerWaalsContact O-N 3.16Å; R355-Q358 VanDerWaalsContact O-CG 3.31Å; R355-Q358 WeakPolarHBondContact O-CG 3.42Å; R355-Q358 PolarHBondContact O-N 3.23Å; R355-Y359 HydrophobicContact CG-CE1 4.01Å; R355-Y359 PolarHBondContact NE-OH 3.03Å
356	S	98.2	Very high	98.2	Very high	50 Å²	50	64.5 Å²	64.5	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-23.9	-178.3	67.8	0	0	0	0	113.6	Q352 Y353 Y354 Q358 Y359	Q352-S356 WeakPolarHBondContact O-CB 3.44Å; Q352-S356 PolarHBondContact O-N 3.11Å; Q352-S356 PolarHBondContact O-OG 2.76Å; Y353-S356 PolarHBondContact O-N 3.11Å; Y353-S356 PolarHBondContact O-OG 3.46Å; Y354-S356 VanDerWaalsContact C-N 3.28Å; Y354-S356 PolarHBondContact O-N 2.93Å; S356-Q358 VanDerWaalsContact C-N 3.27Å; S356-Q358 PolarHBondContact O-N 2.73Å; S356-Y359 PolarHBondContact O-N 2.99Å
357	K	98.4	Very high	98.1	Very high	32 Å²	32	67 Å²	67	14%	0.139	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.9	-179.7	-52	-50.3	-178	179.6	0	113.8	A203 Q206 L207 E210 Y354 R355	A203-K357 HydrophobicContact CB-CB 3.97Å; A203-K357 WeakPolarHBondContact O-CB 3.19Å; Q206-K357 HydrophobicContact CB-CB 4.27Å; L207-K357 HydrophobicContact CB-CG 4.42Å; E210-K357 IonicContact OE1-NZ 2.86Å; E210-K357 PolarHBondContact OE1-NZ 2.58Å; E210-K357 VanDerWaalsContact OE2-CE 3.23Å; E210-K357 WeakPolarHBondContact OE2-CE 3.33Å; E210-K357 IonicContact OE2-NZ 3.16Å; E210-K357 PolarHBondContact OE2-NZ 2.76Å; Y354-K357 WeakPolarHBondContact O-CB 3.46Å; Y354-K357 PolarHBondContact O-N 3.32Å; Y354-K357 VanDerWaalsContact O-N 3.16Å; R355-K357 PolarHBondContact O-N 3.03Å; R355-K357 VanDerWaalsContact O-N 3.16Å
358	Q	98.2	Very high	98	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.019	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-18.6	175.2	90.8	-175.9	-41.8	0	0	112.5	T188 L199 A203 Y349 R355 S356 S373	T188-Q358 PolarHBondContact OG1-NE2 2.93Å; T188-Q358 VanDerWaalsContact OG1-NE2 3.11Å; L199-Q358 HydrophobicContact CB-CB 4.48Å; L199-Q358 VanDerWaalsContact CB-OE1 3.31Å; L199-Q358 HydrophobicContact CD2-CB 4.23Å; L199-Q358 HydrophobicContact CD2-CG 4.41Å; A203-Q358 HydrophobicContact CB-CB 4.18Å; Y349-Q358 PolarHBondContact OH-OE1 3.42Å; R355-Q358 VanDerWaalsContact O-CG 3.31Å; R355-Q358 WeakPolarHBondContact O-CG 3.42Å; R355-Q358 PolarHBondContact O-N 3.23Å; S356-Q358 VanDerWaalsContact C-N 3.27Å; S356-Q358 PolarHBondContact O-N 2.73Å; Q358-S373 WeakPolarHBondContact CG-O 3.49Å
359	Y	98.3	Very high	97.9	Very high	91 Å²	91	75.5 Å²	75.5	36%	0.357	40%	0.399	S	S	.	.			trans	-68.7	145.5	-172.9	-61.2	-19.6	0	0	0	111.4	R355 S356	R355-Y359 HydrophobicContact CG-CE1 4.01Å; R355-Y359 PolarHBondContact NE-OH 3.03Å; S356-Y359 PolarHBondContact O-N 2.99Å
360	F	98.1	Very high	97.8	Very high	114 Å²	114	78.6 Å²	78.6	50%	0.5	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.2	167.3	172.5	-95.3	0	0	0	109.5	Q362 Y370 A371 S372	F360-Q362 HydrophobicContact CE1-CB 4Å; F360-Q362 HydrophobicContact CZ-CB 3.97Å; F360-Y370 HydrophobicContact CD1-CD1 4.19Å; F360-Y370 HydrophobicContact CD1-CE1 4.45Å; F360-Y370 HydrophobicContact CE1-CD1 4.07Å; F360-A371 WeakPolarHBondContact O-CA 3.47Å; F360-S372 PolarHBondContact N-O 3.25Å; F360-S372 PolarHBondContact O-N 3.02Å
361	T	97.3	Very high	97.8	Very high	90 Å²	90	79.5 Å²	79.5	55%	0.552	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	133	176.7	56	0	0	0	0	110.3	Y370 A371	T361-Y370 CarbonylContact C-O 3.41Å; T361-Y370 WeakPolarHBondContact CA-O 3.3Å; T361-A371 HydrophobicContact CG2-CB 4.15Å
362	Q	97.6	Very high	97.7	Very high	74 Å²	74	78 Å²	78	35%	0.346	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	109.7	169.4	175.8	57.9	-86.3	0	0	108.7	F360 T364 W365 Y370	F360-Q362 HydrophobicContact CE1-CB 4Å; F360-Q362 HydrophobicContact CZ-CB 3.97Å; Q362-T364 PolarHBondContact OE1-OG1 3.04Å; Q362-T364 VanDerWaalsContact OE1-OG1 3.12Å; Q362-W365 HydrophobicContact CG-CB 3.64Å; Q362-Y370 PolarHBondContact N-O 2.88Å; Q362-Y370 PolarHBondContact O-N 2.92Å
363	T	97.8	Very high	97.7	Very high	96 Å²	96	73.9 Å²	73.9	59%	0.589	41%	0.407	S	S	*	.	S	Bend	trans	-95.6	-12	-170.7	56.6	0	0	0	0	113.7
364	T	97.7	Very high	97.7	Very high	114 Å²	114	68.9 Å²	68.9	70%	0.699	39%	0.388	S	S	*	.	S	Bend	trans	-115.5	10.8	-175.3	60.4	0	0	0	0	113.8	Q362	Q362-T364 PolarHBondContact OE1-OG1 3.04Å; Q362-T364 VanDerWaalsContact OE1-OG1 3.12Å
365	W	98	Very high	97.7	Very high	140 Å²	140	71.1 Å²	71.1	53%	0.53	40%	0.402	S	S	.	.			trans	-71.1	132.4	177.9	179.3	54.6	0	0	0	111.2	Q362 G367 G368 Y370	Q362-W365 HydrophobicContact CG-CB 3.64Å; W365-G367 PolarHBondContact O-N 3.31Å; W365-G368 PolarHBondContact O-N 3.39Å; W365-Y370 HydrophobicContact CE3-CD2 4.42Å; W365-Y370 HydrophobicContact CZ3-CD2 4.05Å
366	P	97.6	Very high	97.6	Very high	133 Å²	133	71 Å²	71	86%	0.864	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.7	179.8	-28.3	36.4	0	0	0	115.6	G368	P366-G368 PolarHBondContact O-N 2.91Å
367	G	96.6	Very high	97.5	Very high	54 Å²	54	69.5 Å²	69.5	56%	0.557	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.4	173.8	0	0	0	0	0	114.7	W365	W365-G367 PolarHBondContact O-N 3.31Å
368	G	95.2	Very high	97.5	Very high	36 Å²	36	71.8 Å²	71.8	37%	0.371	42%	0.42	S	S	.	.			trans	110.9	176.1	-177	0	0	0	0	0	112.8	W365 P366 Y370	W365-G368 PolarHBondContact O-N 3.39Å; P366-G368 PolarHBondContact O-N 2.91Å; G368-Y370 PolarHBondContact O-N 3.41Å
369	I	97.1	Very high	97.5	Very high	141 Å²	141	73.7 Å²	73.7	72%	0.723	43%	0.427	S	S	*	.			trans	-64.5	120.2	174.5	-60.5	172.1	0	0	0	108.2
370	Y	97.9	Very high	97.5	Very high	66 Å²	66	71.3 Å²	71.3	26%	0.259	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.2	177.5	-167.9	-86.6	0	0	0	110.3	L156 F360 T361 Q362 W365 G368 G377	L156-Y370 HydrophobicContact CD1-CE2 4.47Å; F360-Y370 HydrophobicContact CD1-CD1 4.19Å; F360-Y370 HydrophobicContact CD1-CE1 4.45Å; F360-Y370 HydrophobicContact CE1-CD1 4.07Å; T361-Y370 CarbonylContact C-O 3.41Å; T361-Y370 WeakPolarHBondContact CA-O 3.3Å; Q362-Y370 PolarHBondContact N-O 2.88Å; Q362-Y370 PolarHBondContact O-N 2.92Å; W365-Y370 HydrophobicContact CE3-CD2 4.42Å; W365-Y370 HydrophobicContact CZ3-CD2 4.05Å; G368-Y370 PolarHBondContact O-N 3.41Å; Y370-G377 WeakPolarHBondContact OH-CA 3.33Å
371	A	97.4	Very high	97.5	Very high	65 Å²	65	65.9 Å²	65.9	54%	0.537	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.6	174.8	0	0	0	0	0	110.5	F360 T361	F360-A371 WeakPolarHBondContact O-CA 3.47Å; T361-A371 HydrophobicContact CG2-CB 4.15Å
372	S	97.5	Very high	97.5	Very high	17 Å²	17	61.6 Å²	61.6	12%	0.119	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.3	178.6	53.9	0	0	0	0	110.5	F360	F360-S372 PolarHBondContact N-O 3.25Å; F360-S372 PolarHBondContact O-N 3.02Å
373	S	97.3	Very high	97.6	Very high	39 Å²	39	59.9 Å²	59.9	27%	0.273	37%	0.367	S	S	.	.	S	Bend	trans	-84.5	-10.4	-178.9	58.9	0	0	0	0	114.3	Q358	Q358-S373 WeakPolarHBondContact CG-O 3.49Å
374	T	98.4	Very high	97.6	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.031	34%	0.341	C	S	.	.	S	Bend	trans	-141.8	-176.4	-174.1	54.7	0	0	0	0	109.8	T189 T190 E195 L199	T189-T374 VanDerWaalsContact O-CG2 3.25Å; T189-T374 WeakPolarHBondContact O-CG2 2.99Å; T190-T374 HydrophobicContact CG2-CG2 4.48Å; E195-T374 WeakPolarHBondContact OE1-CB 3.42Å; L199-T374 HydrophobicContact CD1-CG2 3.95Å
375	L	97.6	Very high	97.6	Very high	85 Å²	85	50.3 Å²	50.3	45%	0.445	31%	0.307	S	S	.	.	S	Bend	trans	-67.3	-45.6	-178.7	-61.6	179.6	0	0	0	114.3	E195 L198 L199	E195-L375 HydrophobicContact CG-CD1 4.01Å; E195-L375 HydrophobicContact CG-CG 4.15Å; E195-L375 WeakPolarHBondContact OE1-CB 3.39Å; E195-L375 PolarHBondContact OE1-N 3.33Å; L198-L375 HydrophobicContact CB-CD1 4.29Å; L198-L375 HydrophobicContact CD1-CD1 3.83Å; L199-L375 HydrophobicContact CD2-CD2 4.04Å; L199-L375 HydrophobicContact CD2-CG 4.09Å; L199-L375 HydrophobicContact CG-CG 4.43Å
376	P	97.6	Very high	97.7	Very high	44 Å²	44	43.6 Å²	43.6	29%	0.286	28%	0.282	S	S	.	.			trans	-82.2	155.4	179.1	33.4	-36.6	0	0	0	112.2	E195 R379	E195-P376 WeakPolarHBondContact OE1-CD 3.38Å; P376-R379 HydrophobicContact CB-CG 4.17Å; P376-R379 HydrophobicContact CG-CG 3.61Å
377	G	96.6	Very high	97.7	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	24%	0.242	C	C	.	.	S	Bend	trans	-78.1	-86.9	163.9	0	0	0	0	0	111.5	Y370	Y370-G377 WeakPolarHBondContact OH-CA 3.33Å
378	S	97.5	Very high	97.8	Very high	79 Å²	79	37.8 Å²	37.8	55%	0.552	23%	0.226	S	C	*	.	S	Bend	trans	-65.7	134.7	174.5	-62.9	0	0	0	0	111.4	N154	N154-S378 WeakPolarHBondContact ND2-CB 3.23Å; N154-S378 PolarHBondContact ND2-OG 2.67Å; N154-S378 WeakPolarHBondContact OD1-CA 3.35Å
379	R	97.9	Very high	98	Very high	44 Å²	44	36.3 Å²	36.3	17%	0.166	21%	0.211	C	C	.	.			trans	-133.2	161.6	178.2	-60.4	-176.5	-67.8	139.8	1.5	110.4	N154 P155 E168 T189 P376 G381	N154-R379 WeakPolarHBondContact CA-O 3.37Å; N154-R379 PolarHBondContact OD1-N 2.77Å; N154-R379 PolarHBondContact OD1-O 2.79Å; P155-R379 VanDerWaalsContact CD-O 3.24Å; P155-R379 WeakPolarHBondContact CD-O 3.35Å; P155-R379 HydrophobicContact CG-CB 3.74Å; E168-R379 VanDerWaalsContact CD-NH2 3.27Å; E168-R379 IonicContact OE1-CZ 3.91Å; E168-R379 VanDerWaalsContact OE1-CZ 3.29Å; E168-R379 IonicContact OE1-NH1 2.88Å; E168-R379 PolarHBondContact OE1-NH1 3.05Å; E168-R379 IonicContact OE1-NH2 3.15Å; E168-R379 PolarHBondContact OE1-NH2 3.39Å; E168-R379 IonicContact OE2-CZ 3.48Å; E168-R379 IonicContact OE2-NH1 3.62Å; E168-R379 IonicContact OE2-NH2 3.72Å; E168-R379 PolarHBondContact OE2-NH2 3.41Å; T189-R379 PolarHBondContact OG1-NH1 3.36Å; P376-R379 HydrophobicContact CB-CG 4.17Å; P376-R379 HydrophobicContact CG-CG 3.61Å; R379-G381 PolarHBondContact O-N 2.95Å
380	S	97.8	Very high	98.1	Very high	42 Å²	42	29.6 Å²	29.6	29%	0.294	18%	0.176	S	C	.	.			trans	-82.8	108.4	175.3	-179.9	0	0	0	0	110.6	A382 L383	S380-A382 PolarHBondContact O-N 3.1Å; S380-L383 PolarHBondContact O-N 2.97Å
381	G	98.2	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-26.6	174	0	0	0	0	0	112.8	T153 I164 R379 L383 I384 A385	T153-G381 PolarHBondContact O-N 2.77Å; T153-G381 VanDerWaalsContact OG1-C 3.28Å; T153-G381 WeakPolarHBondContact OG1-CA 3.21Å; I164-G381 WeakPolarHBondContact CD1-O 3.4Å; R379-G381 PolarHBondContact O-N 2.95Å; G381-L383 VanDerWaalsContact C-N 3.27Å; G381-L383 PolarHBondContact O-N 2.61Å; G381-I384 WeakPolarHBondContact O-CB 3.47Å; G381-I384 PolarHBondContact O-N 2.96Å; G381-I384 VanDerWaalsContact O-N 3.1Å; G381-A385 PolarHBondContact O-N 3.07Å
382	A	98.5	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-36.9	172.6	0	0	0	0	0	113.2	Y147 F150 T153 S380 A385 T386	Y147-A382 HydrophobicContact CD1-CB 4.4Å; Y147-A382 HydrophobicContact CD2-CB 3.55Å; Y147-A382 HydrophobicContact CE1-CB 4.42Å; Y147-A382 HydrophobicContact CE2-CB 3.56Å; Y147-A382 HydrophobicContact CG-CB 3.98Å; F150-A382 HydrophobicContact CB-CB 4.19Å; F150-A382 WeakPolarHBondContact O-CB 3.25Å; T153-A382 PolarHBondContact OG1-N 2.8Å; S380-A382 PolarHBondContact O-N 3.1Å; A382-A385 PolarHBondContact O-N 3.05Å; A382-T386 WeakPolarHBondContact O-CG2 3.4Å; A382-T386 PolarHBondContact O-N 2.82Å; A382-T386 PolarHBondContact O-OG1 3.36Å
383	L	98.4	Very high	98.2	Very high	38 Å²	38	32.1 Å²	32.1	20%	0.199	18%	0.175	C	C	.	.	H	α-helix	trans	-69.1	-38.6	175.7	-68	179.7	0	0	0	111.9	Y147 P341 T344 S380 G381 T386 C387	Y147-L383 HydrophobicContact CD2-CD2 4.39Å; Y147-L383 HydrophobicContact CE2-CD2 3.84Å; Y147-L383 HydrophobicContact CE2-CG 4.26Å; P341-L383 HydrophobicContact CB-CD2 4.4Å; T344-L383 HydrophobicContact CG2-CB 3.8Å; T344-L383 WeakPolarHBondContact CG2-O 3.4Å; S380-L383 PolarHBondContact O-N 2.97Å; G381-L383 VanDerWaalsContact C-N 3.27Å; G381-L383 PolarHBondContact O-N 2.61Å; L383-T386 WeakPolarHBondContact CA-OG1 3.41Å; L383-T386 PolarHBondContact O-OG1 2.65Å; L383-C387 VanDerWaalsContact O-CB 3.3Å; L383-C387 WeakPolarHBondContact O-CB 3.13Å; L383-C387 PolarHBondContact O-N 2.9Å
384	I	98.6	Very high	98.2	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-46.2	173.8	-63.6	171.6	0	0	0	110.3	P155 I164 M167 E168 G381 T386 C387 W388	P155-I384 HydrophobicContact CB-CD1 4.23Å; P155-I384 HydrophobicContact CG-CD1 3.88Å; I164-I384 HydrophobicContact CG2-CB 4.23Å; I164-I384 HydrophobicContact CG2-CD1 3.93Å; I164-I384 HydrophobicContact CG2-CG2 4.22Å; M167-I384 HydrophobicContact CB-CG2 4.29Å; E168-I384 HydrophobicContact CB-CD1 4.38Å; E168-I384 HydrophobicContact CB-CG2 3.79Å; E168-I384 HydrophobicContact CG-CD1 4.16Å; E168-I384 HydrophobicContact CG-CG2 4.28Å; G381-I384 WeakPolarHBondContact O-CB 3.47Å; G381-I384 PolarHBondContact O-N 2.96Å; G381-I384 VanDerWaalsContact O-N 3.1Å; I384-T386 PolarHBondContact O-N 3.19Å; I384-C387 WeakPolarHBondContact O-CB 3.46Å; I384-C387 PolarHBondContact O-N 3.12Å; I384-W388 PolarHBondContact O-N 2.77Å
385	A	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-43	179.8	0	0	0	0	0	112.4	I146 F150 I164 M167 G381 A382 W388 A389	I146-A385 HydrophobicContact CG2-CB 3.72Å; F150-A385 HydrophobicContact CB-CB 4Å; F150-A385 HydrophobicContact CD1-CB 4.42Å; F150-A385 HydrophobicContact CD2-CB 3.42Å; F150-A385 VanDerWaalsContact CD2-CB 3.42Å; F150-A385 HydrophobicContact CE2-CB 3.99Å; F150-A385 HydrophobicContact CG-CB 3.68Å; I164-A385 HydrophobicContact CD1-CB 3.9Å; M167-A385 HydrophobicContact SD-CB 3.7Å; G381-A385 PolarHBondContact O-N 3.07Å; A382-A385 PolarHBondContact O-N 3.05Å; A385-W388 PolarHBondContact O-N 3.21Å; A385-A389 WeakPolarHBondContact O-CB 3.2Å; A385-A389 PolarHBondContact O-N 3.16Å
386	T	98.6	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.3	-34.9	176.3	52	0	0	0	0	112.8	C143 I146 Y147 P341 A382 L383 I384 A389 T390	C143-T386 HydrophobicContact CB-CG2 4.3Å; C143-T386 WeakPolarHBondContact O-CG2 3.44Å; I146-T386 HydrophobicContact CB-CG2 4.06Å; I146-T386 HydrophobicContact CG2-CG2 3.83Å; Y147-T386 HydrophobicContact CD2-CG2 4.21Å; P341-T386 HydrophobicContact CG-CG2 4.38Å; A382-T386 WeakPolarHBondContact O-CG2 3.4Å; A382-T386 PolarHBondContact O-N 2.82Å; A382-T386 PolarHBondContact O-OG1 3.36Å; L383-T386 WeakPolarHBondContact CA-OG1 3.41Å; L383-T386 PolarHBondContact O-OG1 2.65Å; I384-T386 PolarHBondContact O-N 3.19Å; T386-A389 PolarHBondContact O-N 2.91Å; T386-T390 WeakPolarHBondContact O-CB 3.46Å; T386-T390 PolarHBondContact O-N 3.37Å; T386-T390 PolarHBondContact O-OG1 2.94Å
387	C	98.7	Very high	98.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-50.2	170.8	176.9	0	0	0	0	111.1	T334 A340 T344 L383 I384 A389 T390 M391	T334-C387 VanDerWaalsContact CB-SG 3.52Å; T334-C387 PolarHBondContact OG1-SG 2.93Å; T334-C387 VanDerWaalsContact OG1-SG 3.39Å; A340-C387 HydrophobicContact CB-CB 4Å; T344-C387 HydrophobicContact CG2-CB 4.04Å; L383-C387 VanDerWaalsContact O-CB 3.3Å; L383-C387 WeakPolarHBondContact O-CB 3.13Å; L383-C387 PolarHBondContact O-N 2.9Å; I384-C387 WeakPolarHBondContact O-CB 3.46Å; I384-C387 PolarHBondContact O-N 3.12Å; C387-A389 PolarHBondContact O-N 2.9Å; C387-T390 PolarHBondContact O-N 2.94Å; C387-M391 WeakPolarHBondContact O-CG 3.03Å; C387-M391 PolarHBondContact O-N 3.49Å; C387-M391 VanDerWaalsContact O-N 3.07Å
388	W	98.8	Very high	98.3	Very high	63 Å²	63	37.1 Å²	37.1	24%	0.239	20%	0.197	C	C	.	.	H	α-helix	trans	-56.4	-50	175	179.2	92.6	0	0	0	112.1	M167 E170 V171 I384 A385 T390 M391 M392	M167-W388 HydrophobicContact CB-CB 3.97Å; M167-W388 HydrophobicContact CB-CG 3.9Å; M167-W388 HydrophobicContact CE-CE3 4.46Å; M167-W388 HydrophobicContact CG-CB 4.26Å; M167-W388 HydrophobicContact CG-CD2 4.04Å; M167-W388 HydrophobicContact CG-CG 3.87Å; M167-W388 HydrophobicContact SD-CB 4.45Å; M167-W388 HydrophobicContact SD-CD2 4.39Å; M167-W388 HydrophobicContact SD-CE3 4.38Å; M167-W388 HydrophobicContact SD-CG 4.42Å; E170-W388 PolarHBondContact OE2-NE1 3.33Å; V171-W388 HydrophobicContact CG2-CB 3.77Å; V171-W388 HydrophobicContact CG2-CG 4.44Å; I384-W388 PolarHBondContact O-N 2.77Å; A385-W388 PolarHBondContact O-N 3.21Å; W388-T390 VanDerWaalsContact C-N 3.29Å; W388-T390 PolarHBondContact O-N 3.31Å; W388-M391 PolarHBondContact O-N 3.32Å; W388-M392 HydrophobicContact CD2-CG 3.91Å; W388-M392 HydrophobicContact CE3-CG 4.1Å; W388-M392 HydrophobicContact CH2-CG 3.82Å; W388-M392 HydrophobicContact CZ2-CE 4.28Å; W388-M392 HydrophobicContact CZ2-CG 3.63Å; W388-M392 HydrophobicContact CZ2-SD 4.14Å; W388-M392 HydrophobicContact CZ3-CG 4.05Å; W388-M392 WeakPolarHBondContact O-CG 3.4Å; W388-M392 PolarHBondContact O-N 2.89Å
389	A	98.6	Very high	98.3	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-37.6	-179.8	0	0	0	0	0	112.1	L142 I146 A385 T386 C387 M392 Y393	L142-A389 HydrophobicContact CD2-CB 4.46Å; I146-A389 HydrophobicContact CB-CB 4.45Å; I146-A389 HydrophobicContact CD1-CB 4.27Å; I146-A389 HydrophobicContact CG1-CB 3.79Å; I146-A389 HydrophobicContact CG2-CB 4.24Å; A385-A389 WeakPolarHBondContact O-CB 3.2Å; A385-A389 PolarHBondContact O-N 3.16Å; T386-A389 PolarHBondContact O-N 2.91Å; C387-A389 PolarHBondContact O-N 2.9Å; A389-M392 PolarHBondContact O-N 3.36Å; A389-Y393 VanDerWaalsContact O-CB 3.23Å; A389-Y393 WeakPolarHBondContact O-CB 3.23Å; A389-Y393 PolarHBondContact O-N 3.24Å
390	T	98.5	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-43.4	176.3	-59.4	0	0	0	0	111.6	L139 C143 G338 F339 T386 C387 W388 Y393 H394	L139-T390 HydrophobicContact CD1-CG2 3.91Å; L139-T390 HydrophobicContact CD2-CG2 4.39Å; C143-T390 PolarHBondContact SG-OG1 2.69Å; G338-T390 WeakPolarHBondContact O-CG2 3.36Å; F339-T390 HydrophobicContact CB-CG2 4.02Å; T386-T390 WeakPolarHBondContact O-CB 3.46Å; T386-T390 PolarHBondContact O-N 3.37Å; T386-T390 PolarHBondContact O-OG1 2.94Å; C387-T390 PolarHBondContact O-N 2.94Å; W388-T390 VanDerWaalsContact C-N 3.29Å; W388-T390 PolarHBondContact O-N 3.31Å; T390-Y393 PolarHBondContact O-N 2.96Å; T390-H394 PolarHBondContact O-N 3.18Å; T390-H394 VanDerWaalsContact O-N 3.12Å; T390-H394 PolarHBondContact O-ND1 3.33Å
391	M	98.7	Very high	98.3	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.044	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-43.4	177.4	-66.8	178.2	74	0	0	111.2	V171 M174 M178 F305 C387 W388 G395 Y399	V171-M391 HydrophobicContact CB-SD 4.37Å; V171-M391 HydrophobicContact CG1-SD 4.03Å; V171-M391 HydrophobicContact CG2-SD 4.07Å; M174-M391 HydrophobicContact CB-CE 3.43Å; M174-M391 VanDerWaalsContact CB-CE 3.43Å; M174-M391 HydrophobicContact CE-CB 3.83Å; M174-M391 HydrophobicContact CE-CE 3.64Å; M174-M391 HydrophobicContact CE-CG 4.39Å; M174-M391 HydrophobicContact CE-SD 3.69Å; M174-M391 HydrophobicContact CG-CE 4.29Å; M174-M391 HydrophobicContact SD-CB 4.24Å; M174-M391 HydrophobicContact SD-CE 3.92Å; M178-M391 HydrophobicContact SD-CE 4.34Å; F305-M391 HydrophobicContact CE1-CE 4.11Å; F305-M391 HydrophobicContact CE1-CG 4.39Å; F305-M391 HydrophobicContact CZ-CE 3.93Å; F305-M391 HydrophobicContact CZ-CG 4.47Å; F305-M391 HydrophobicContact CZ-SD 4.28Å; C387-M391 WeakPolarHBondContact O-CG 3.03Å; C387-M391 PolarHBondContact O-N 3.49Å; C387-M391 VanDerWaalsContact O-N 3.07Å; W388-M391 PolarHBondContact O-N 3.32Å; M391-G395 PolarHBondContact O-N 2.92Å; M391-Y399 WeakPolarHBondContact CA-OH 3.5Å
392	M	98.5	Very high	98.3	Very high	91 Å²	91	36.8 Å²	36.8	45%	0.448	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-40.3	176.2	-67.7	-61.5	140.9	0	0	112.7	M174 W388 A389	M174-M392 HydrophobicContact CE-CE 3.43Å; M174-M392 VanDerWaalsContact CE-CE 3.43Å; M174-M392 HydrophobicContact SD-CE 3.27Å; M174-M392 WeakPolarHBondContact SD-CE 3.47Å; W388-M392 HydrophobicContact CD2-CG 3.91Å; W388-M392 HydrophobicContact CE3-CG 4.1Å; W388-M392 HydrophobicContact CH2-CG 3.82Å; W388-M392 HydrophobicContact CZ2-CE 4.28Å; W388-M392 HydrophobicContact CZ2-CG 3.63Å; W388-M392 HydrophobicContact CZ2-SD 4.14Å; W388-M392 HydrophobicContact CZ3-CG 4.05Å; W388-M392 WeakPolarHBondContact O-CG 3.4Å; W388-M392 PolarHBondContact O-N 2.89Å; A389-M392 PolarHBondContact O-N 3.36Å
393	Y	98.2	Very high	98.3	Very high	101 Å²	101	36.8 Å²	36.8	40%	0.396	18%	0.183	S	C	.	.	H	α-helix	trans	-66.2	-42.3	-179.3	173.9	-103.1	0	0	0	112.9	N136 L139 L142 A389 T390	N136-Y393 PolarHBondContact ND2-OH 2.89Å; N136-Y393 VanDerWaalsContact ND2-OH 3.1Å; L139-Y393 HydrophobicContact CB-CE1 4.39Å; L139-Y393 HydrophobicContact CD1-CD1 4.01Å; L139-Y393 HydrophobicContact CD1-CE1 4.45Å; L142-Y393 HydrophobicContact CD2-CD2 3.88Å; L142-Y393 HydrophobicContact CD2-CG 3.73Å; A389-Y393 VanDerWaalsContact O-CB 3.23Å; A389-Y393 WeakPolarHBondContact O-CB 3.23Å; A389-Y393 PolarHBondContact O-N 3.24Å; T390-Y393 PolarHBondContact O-N 2.96Å
394	H	98	Very high	98.3	Very high	27 Å²	27	40.8 Å²	40.8	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-75.8	-46.5	178.5	-70.6	88.3	0	0	0	111.4	F339 T390 N397 G398 Y399	F339-H394 AromaticContact CD2-CE1 3.86Å; F339-H394 AromaticContact CD2-NE2 3.54Å; T390-H394 PolarHBondContact O-N 3.18Å; T390-H394 VanDerWaalsContact O-N 3.12Å; T390-H394 PolarHBondContact O-ND1 3.33Å; H394-N397 PolarHBondContact O-OD1 2.92Å; H394-G398 WeakPolarHBondContact O-CA 3.37Å; H394-G398 PolarHBondContact O-N 3.49Å; H394-Y399 HydrophobicContact CB-CD1 4.24Å; H394-Y399 HydrophobicContact CB-CD2 4Å; H394-Y399 HydrophobicContact CB-CE1 4.03Å; H394-Y399 HydrophobicContact CB-CE2 3.79Å; H394-Y399 HydrophobicContact CB-CG 4.21Å
395	G	98.1	Very high	98.2	Very high	25 Å²	25	44 Å²	44	26%	0.258	21%	0.211	S	C	.	.	H	α-helix	trans	56.2	-178.6	-165.8	0	0	0	0	0	112.5	M391 N397 G398 Y399	M391-G395 PolarHBondContact O-N 2.92Å; G395-N397 VanDerWaalsContact C-N 3.32Å; G395-N397 PolarHBondContact O-N 2.82Å; G395-G398 PolarHBondContact O-N 3.39Å; G395-Y399 WeakPolarHBondContact O-CD2 3.31Å; G395-Y399 PolarHBondContact O-N 3.39Å; G395-Y399 VanDerWaalsContact O-N 3.13Å
396	E	97.9	Very high	98.2	Very high	124 Å²	124	44 Å²	44	58%	0.579	21%	0.211	S	C	*	.	H	α-helix	trans	-61.1	-41.2	178.5	-177	178.2	169.5	0	0	112.3	F309 N312 G398 Y399 C400	F309-E396 HydrophobicContact CD1-CG 4.27Å; F309-E396 HydrophobicContact CE1-CG 4.08Å; N312-E396 PolarHBondContact ND2-OE1 3.42Å; N312-E396 VanDerWaalsContact ND2-OE1 3.14Å; E396-G398 PolarHBondContact O-N 2.75Å; E396-Y399 PolarHBondContact O-N 3.36Å; E396-C400 WeakPolarHBondContact O-CB 3.13Å; E396-C400 PolarHBondContact O-N 2.91Å; E396-C400 PolarHBondContact O-SG 3.43Å
397	N	97.9	Very high	98.2	Very high	106 Å²	106	44 Å²	44	57%	0.567	21%	0.211	S	C	*	.	H	α-helix	trans	-64.6	-39.5	180	65.4	-34.2	0	0	0	112.6	H394 G395 K401	H394-N397 PolarHBondContact O-OD1 2.92Å; G395-N397 VanDerWaalsContact C-N 3.32Å; G395-N397 PolarHBondContact O-N 2.82Å; N397-K401 WeakPolarHBondContact O-CB 3.11Å; N397-K401 VanDerWaalsContact O-CG 3.28Å; N397-K401 WeakPolarHBondContact O-CG 3.07Å; N397-K401 PolarHBondContact O-N 2.85Å
398	G	97.7	Very high	98.2	Very high	16 Å²	16	46.1 Å²	46.1	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-45.4	175.5	0	0	0	0	0	111.5	H394 G395 E396 K401 S402	H394-G398 WeakPolarHBondContact O-CA 3.37Å; H394-G398 PolarHBondContact O-N 3.49Å; G395-G398 PolarHBondContact O-N 3.39Å; E396-G398 PolarHBondContact O-N 2.75Å; G398-K401 PolarHBondContact O-N 3.03Å; G398-S402 PolarHBondContact O-N 3.43Å; G398-S402 PolarHBondContact O-OG 3.44Å
399	Y	98.4	Very high	98.1	Very high	6 Å²	6	44 Å²	44	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-41	175.9	-73.1	-55.6	0	0	0	112.6	F305 F309 G338 F339 M391 H394 G395 E396 K401 S402 T403	F305-Y399 HydrophobicContact CD1-CD1 4.01Å; F305-Y399 HydrophobicContact CD1-CD2 4.38Å; F305-Y399 AromaticContact CD1-CE1 3.61Å; F305-Y399 HydrophobicContact CD1-CE1 3.61Å; F305-Y399 HydrophobicContact CD1-CE2 4.01Å; F305-Y399 HydrophobicContact CD1-CG 4.4Å; F305-Y399 AromaticContact CD1-CZ 3.6Å; F305-Y399 HydrophobicContact CE1-CE1 4.14Å; F305-Y399 AromaticContact CE1-CE2 3.91Å; F305-Y399 HydrophobicContact CE1-CE2 3.91Å; F305-Y399 AromaticContact CE1-CZ 3.65Å; F309-Y399 HydrophobicContact CE1-CD2 4.47Å; F309-Y399 HydrophobicContact CE1-CG 4.5Å; F309-Y399 VanDerWaalsContact CE2-CB 3.49Å; F309-Y399 HydrophobicContact CE2-CD1 4.45Å; F309-Y399 HydrophobicContact CE2-CD2 4.2Å; F309-Y399 AromaticContact CE2-CG 3.82Å; F309-Y399 HydrophobicContact CE2-CG 3.82Å; F309-Y399 AromaticContact CZ-CD2 3.77Å; F309-Y399 HydrophobicContact CZ-CD2 3.77Å; F309-Y399 AromaticContact CZ-CG 3.81Å; F309-Y399 HydrophobicContact CZ-CG 3.81Å; G338-Y399 PolarHBondContact O-OH 3.43Å; F339-Y399 HydrophobicContact CD2-CD1 4.39Å; F339-Y399 AromaticContact CD2-CE1 3.99Å; F339-Y399 HydrophobicContact CD2-CE1 3.99Å; F339-Y399 HydrophobicContact CE2-CD1 4.36Å; F339-Y399 HydrophobicContact CE2-CE1 4.38Å; M391-Y399 WeakPolarHBondContact CA-OH 3.5Å; H394-Y399 HydrophobicContact CB-CD1 4.24Å; H394-Y399 HydrophobicContact CB-CD2 4Å; H394-Y399 HydrophobicContact CB-CE1 4.03Å; H394-Y399 HydrophobicContact CB-CE2 3.79Å; H394-Y399 HydrophobicContact CB-CG 4.21Å; G395-Y399 WeakPolarHBondContact O-CD2 3.31Å; G395-Y399 PolarHBondContact O-N 3.39Å; G395-Y399 VanDerWaalsContact O-N 3.13Å; E396-Y399 PolarHBondContact O-N 3.36Å; Y399-K401 PolarHBondContact O-N 2.95Å; Y399-S402 WeakPolarHBondContact CA-OG 3.34Å; Y399-S402 PolarHBondContact O-N 3.39Å; Y399-S402 PolarHBondContact O-OG 2.93Å; Y399-T403 VanDerWaalsContact O-CB 3.31Å; Y399-T403 WeakPolarHBondContact O-CB 3.24Å; Y399-T403 PolarHBondContact O-N 3.03Å; Y399-T403 PolarHBondContact O-OG1 2.92Å
400	C	98.3	Very high	98.1	Very high	19 Å²	19	43.8 Å²	43.8	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-46.6	172.3	-71	0	0	0	0	111.3	V313 E396 S402 T403 K404	V313-C400 HydrophobicContact CG1-CB 3.69Å; V313-C400 WeakPolarHBondContact CG1-O 3.3Å; E396-C400 WeakPolarHBondContact O-CB 3.13Å; E396-C400 PolarHBondContact O-N 2.91Å; E396-C400 PolarHBondContact O-SG 3.43Å; C400-S402 PolarHBondContact O-N 3.45Å; C400-T403 PolarHBondContact O-N 3.45Å; C400-K404 WeakPolarHBondContact O-CB 3.43Å; C400-K404 PolarHBondContact O-N 2.92Å
401	K	97.6	Very high	98.1	Very high	130 Å²	130	46.8 Å²	46.8	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-60.3	-43.7	178	-75.4	172.2	-177.8	177.4	0	112.4	N397 G398 Y399 R405	N397-K401 WeakPolarHBondContact O-CB 3.11Å; N397-K401 VanDerWaalsContact O-CG 3.28Å; N397-K401 WeakPolarHBondContact O-CG 3.07Å; N397-K401 PolarHBondContact O-N 2.85Å; G398-K401 PolarHBondContact O-N 3.03Å; Y399-K401 PolarHBondContact O-N 2.95Å; K401-R405 WeakPolarHBondContact O-CG 3.44Å; K401-R405 PolarHBondContact O-N 3.38Å; K401-R405 PolarHBondContact O-NH1 2.97Å
402	S	97.7	Very high	98.1	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-43.7	176.6	50.2	0	0	0	0	112	F339 G398 Y399 C400 K404 R405 I406	F339-S402 WeakPolarHBondContact CE2-OG 3.41Å; G398-S402 PolarHBondContact O-N 3.43Å; G398-S402 PolarHBondContact O-OG 3.44Å; Y399-S402 WeakPolarHBondContact CA-OG 3.34Å; Y399-S402 PolarHBondContact O-N 3.39Å; Y399-S402 PolarHBondContact O-OG 2.93Å; C400-S402 PolarHBondContact O-N 3.45Å; S402-K404 VanDerWaalsContact C-N 3.34Å; S402-K404 PolarHBondContact O-N 3.05Å; S402-R405 PolarHBondContact O-N 3.24Å; S402-I406 WeakPolarHBondContact O-CG1 3.23Å; S402-I406 PolarHBondContact O-N 2.99Å
403	T	98.4	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-47.1	176.9	-63.8	0	0	0	0	110.5	L306 F309 M310 V313 Y399 C400 R405 I406 I407	L306-T403 HydrophobicContact CD2-CG2 4.18Å; F309-T403 HydrophobicContact CB-CG2 4.29Å; M310-T403 HydrophobicContact CG-CG2 3.73Å; V313-T403 HydrophobicContact CG2-CG2 3.99Å; Y399-T403 VanDerWaalsContact O-CB 3.31Å; Y399-T403 WeakPolarHBondContact O-CB 3.24Å; Y399-T403 PolarHBondContact O-N 3.03Å; Y399-T403 PolarHBondContact O-OG1 2.92Å; C400-T403 PolarHBondContact O-N 3.45Å; T403-R405 VanDerWaalsContact C-N 3.34Å; T403-R405 PolarHBondContact O-N 3.33Å; T403-I406 PolarHBondContact O-N 3.36Å; T403-I407 HydrophobicContact CG2-CG1 3.92Å; T403-I407 WeakPolarHBondContact O-CB 3.01Å; T403-I407 VanDerWaalsContact O-CG1 3.26Å; T403-I407 WeakPolarHBondContact O-CG1 3.41Å; T403-I407 PolarHBondContact O-N 3.45Å
404	K	98.2	Very high	98.1	Very high	122 Å²	122	41.4 Å²	41.4	53%	0.53	20%	0.204	S	C	.	.	H	α-helix	trans	-57.1	-45.4	176.6	-172.4	170.7	-177	170.8	0	112.3	V313 C400 S402 S408	V313-K404 HydrophobicContact CB-CB 4.05Å; V313-K404 HydrophobicContact CB-CG 4.46Å; V313-K404 HydrophobicContact CG1-CB 4.17Å; V313-K404 HydrophobicContact CG2-CB 4.33Å; C400-K404 WeakPolarHBondContact O-CB 3.43Å; C400-K404 PolarHBondContact O-N 2.92Å; S402-K404 VanDerWaalsContact C-N 3.34Å; S402-K404 PolarHBondContact O-N 3.05Å; K404-S408 VanDerWaalsContact O-CB 3.23Å; K404-S408 WeakPolarHBondContact O-CB 3.48Å; K404-S408 PolarHBondContact O-N 3.49Å; K404-S408 PolarHBondContact O-OG 3.15Å
405	R	97.8	Very high	98.1	Very high	76 Å²	76	44 Å²	44	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-46.8	177.7	-71.2	-167.5	-55.5	-84.4	7.1	112.1	K401 S402 T403 S408 T409 D476 T479	K401-R405 WeakPolarHBondContact O-CG 3.44Å; K401-R405 PolarHBondContact O-N 3.38Å; K401-R405 PolarHBondContact O-NH1 2.97Å; S402-R405 PolarHBondContact O-N 3.24Å; T403-R405 VanDerWaalsContact C-N 3.34Å; T403-R405 PolarHBondContact O-N 3.33Å; R405-S408 PolarHBondContact O-OG 2.9Å; R405-T409 VanDerWaalsContact O-CB 3.31Å; R405-T409 WeakPolarHBondContact O-CB 3.47Å; R405-T409 PolarHBondContact O-N 2.94Å; R405-T409 PolarHBondContact O-OG1 3.02Å; R405-D476 IonicContact CZ-OD1 2.72Å; R405-D476 VanDerWaalsContact CZ-OD1 3.3Å; R405-D476 IonicContact CZ-OD2 3.69Å; R405-D476 IonicContact NE-OD1 3.96Å; R405-D476 PolarHBondContact NE-OD1 2.96Å; R405-D476 IonicContact NH2-OD1 2.78Å; R405-D476 PolarHBondContact NH2-OD1 3.17Å; R405-D476 IonicContact NH2-OD2 3.48Å; R405-D476 PolarHBondContact NH2-OD2 3.29Å; R405-T479 HydrophobicContact CB-CG2 3.8Å
406	I	98.4	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-53.9	-177.7	-69.7	164	0	0	0	109.9	L306 Y337 F339 S402 T403 S408 T409 T410 V474 D476 T479	L306-I406 HydrophobicContact CD1-CG2 4.29Å; L306-I406 HydrophobicContact CD2-CB 4.38Å; L306-I406 HydrophobicContact CD2-CD1 4.02Å; L306-I406 HydrophobicContact CD2-CG2 4.27Å; Y337-I406 HydrophobicContact CD1-CD1 3.72Å; Y337-I406 HydrophobicContact CE1-CD1 3.94Å; Y337-I406 HydrophobicContact CE1-CG2 4.3Å; F339-I406 HydrophobicContact CZ-CD1 4.13Å; S402-I406 WeakPolarHBondContact O-CG1 3.23Å; S402-I406 PolarHBondContact O-N 2.99Å; T403-I406 PolarHBondContact O-N 3.36Å; I406-S408 PolarHBondContact O-N 2.67Å; I406-T409 WeakPolarHBondContact O-CB 3.38Å; I406-T409 PolarHBondContact O-N 3.2Å; I406-T410 PolarHBondContact O-N 3.12Å; I406-T410 PolarHBondContact O-OG1 3.29Å; I406-V474 HydrophobicContact CG2-CG1 4.35Å; I406-V474 WeakPolarHBondContact CG2-O 3.22Å; I406-D476 HydrophobicContact CD1-CB 4.33Å; I406-T479 HydrophobicContact CG1-CG2 3.99Å
407	I	98.3	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-41.6	-177.2	-58.1	-58	0	0	0	111.6	M310 Y315 T403 T409 T410 R411 V431	M310-I407 HydrophobicContact CE-CD1 4.04Å; M310-I407 HydrophobicContact CE-CG1 4.29Å; M310-I407 HydrophobicContact CE-CG2 4.35Å; M310-I407 HydrophobicContact CG-CD1 4.34Å; M310-I407 HydrophobicContact CG-CG1 4.17Å; M310-I407 HydrophobicContact SD-CD1 3.93Å; M310-I407 HydrophobicContact SD-CG1 4.35Å; Y315-I407 HydrophobicContact CD1-CG2 3.81Å; Y315-I407 HydrophobicContact CD2-CB 3.89Å; Y315-I407 HydrophobicContact CD2-CG2 3.49Å; Y315-I407 VanDerWaalsContact CD2-CG2 3.49Å; Y315-I407 HydrophobicContact CE1-CG2 3.97Å; Y315-I407 HydrophobicContact CE2-CB 3.91Å; Y315-I407 HydrophobicContact CE2-CG2 3.68Å; Y315-I407 HydrophobicContact CG-CB 4.45Å; Y315-I407 HydrophobicContact CG-CG2 3.57Å; T403-I407 HydrophobicContact CG2-CG1 3.92Å; T403-I407 WeakPolarHBondContact O-CB 3.01Å; T403-I407 VanDerWaalsContact O-CG1 3.26Å; T403-I407 WeakPolarHBondContact O-CG1 3.41Å; T403-I407 PolarHBondContact O-N 3.45Å; I407-T409 PolarHBondContact O-N 3.3Å; I407-T410 PolarHBondContact O-N 2.92Å; I407-R411 WeakPolarHBondContact O-CG 3.5Å; I407-R411 PolarHBondContact O-N 2.95Å; I407-V431 HydrophobicContact CD1-CG1 4.34Å; I407-V431 WeakPolarHBondContact CD1-O 3.49Å
408	S	97.9	Very high	98.2	Very high	47 Å²	47	38.9 Å²	38.9	33%	0.329	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-40.8	175.6	56.3	0	0	0	0	112.5	K404 R405 I406 R411 Y412	K404-S408 VanDerWaalsContact O-CB 3.23Å; K404-S408 WeakPolarHBondContact O-CB 3.48Å; K404-S408 PolarHBondContact O-N 3.49Å; K404-S408 PolarHBondContact O-OG 3.15Å; R405-S408 PolarHBondContact O-OG 2.9Å; I406-S408 PolarHBondContact O-N 2.67Å; S408-R411 PolarHBondContact O-N 2.99Å; S408-Y412 PolarHBondContact O-N 2.99Å
409	T	98.3	Very high	98.2	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-42.4	174.6	-57.1	0	0	0	0	111.2	R405 I406 I407 Y412 I413 V474 A484	R405-T409 VanDerWaalsContact O-CB 3.31Å; R405-T409 WeakPolarHBondContact O-CB 3.47Å; R405-T409 PolarHBondContact O-N 2.94Å; R405-T409 PolarHBondContact O-OG1 3.02Å; I406-T409 WeakPolarHBondContact O-CB 3.38Å; I406-T409 PolarHBondContact O-N 3.2Å; I407-T409 PolarHBondContact O-N 3.3Å; T409-Y412 PolarHBondContact O-N 3.42Å; T409-I413 HydrophobicContact CG2-CD1 3.98Å; T409-I413 WeakPolarHBondContact O-CG1 3.36Å; T409-I413 PolarHBondContact O-N 2.97Å; T409-V474 HydrophobicContact CG2-CG1 3.89Å; T409-A484 HydrophobicContact CG2-CB 3.84Å
410	T	98.5	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-44.6	175.9	-54.3	0	0	0	0	111.5	I406 I407 I413 I414 V431 V434 V474	I406-T410 PolarHBondContact O-N 3.12Å; I406-T410 PolarHBondContact O-OG1 3.29Å; I407-T410 PolarHBondContact O-N 2.92Å; T410-I413 PolarHBondContact O-N 2.98Å; T410-I414 HydrophobicContact CG2-CD1 3.93Å; T410-I414 WeakPolarHBondContact O-CD1 3.47Å; T410-I414 VanDerWaalsContact O-CG1 3.29Å; T410-I414 WeakPolarHBondContact O-CG1 3.36Å; T410-I414 PolarHBondContact O-N 3.02Å; T410-V431 WeakPolarHBondContact CB-O 3.46Å; T410-V431 WeakPolarHBondContact CG2-O 3.27Å; T410-V431 PolarHBondContact OG1-O 2.96Å; T410-V434 HydrophobicContact CG2-CG2 3.45Å; T410-V434 VanDerWaalsContact CG2-CG2 3.45Å; T410-V474 HydrophobicContact CG2-CG2 4.42Å; T410-V474 WeakPolarHBondContact OG1-CB 3.33Å
411	R	97.8	Very high	98.1	Very high	63 Å²	63	48.3 Å²	48.3	24%	0.238	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-46.3	176.2	-70.8	-64.8	-179.3	-72.3	-14.3	112.4	Y315 I407 S408 I413 I414 D415 P429 N430	Y315-R411 HydrophobicContact CE1-CG 4.49Å; I407-R411 WeakPolarHBondContact O-CG 3.5Å; I407-R411 PolarHBondContact O-N 2.95Å; S408-R411 PolarHBondContact O-N 2.99Å; R411-I413 VanDerWaalsContact C-N 3.31Å; R411-I413 PolarHBondContact O-N 3.17Å; R411-I414 PolarHBondContact O-N 2.83Å; R411-D415 VanDerWaalsContact O-CG 3.32Å; R411-D415 PolarHBondContact O-N 3.47Å; R411-P429 PolarHBondContact NH1-O 3Å; R411-N430 VanDerWaalsContact CZ-O 3.28Å; R411-N430 PolarHBondContact NH1-O 3.46Å; R411-N430 VanDerWaalsContact NH2-CA 3.31Å; R411-N430 VanDerWaalsContact NH2-CB 3.31Å; R411-N430 PolarHBondContact NH2-O 2.92Å
412	Y	98.3	Very high	98.1	Very high	82 Å²	82	43 Å²	43	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-55.3	-46.9	174.2	171.7	-97.7	0	0	0	111.8	S408 T409 I414 D415 E416 A484 E485 I488	S408-Y412 PolarHBondContact O-N 2.99Å; T409-Y412 PolarHBondContact O-N 3.42Å; Y412-I414 PolarHBondContact O-N 2.88Å; Y412-D415 PolarHBondContact O-N 2.89Å; Y412-E416 HydrophobicContact CD2-CG 4.17Å; Y412-E416 HydrophobicContact CE1-CG 4.1Å; Y412-E416 HydrophobicContact CE2-CG 3.67Å; Y412-E416 WeakPolarHBondContact O-CB 3.36Å; Y412-E416 WeakPolarHBondContact O-CG 3.25Å; Y412-E416 PolarHBondContact O-N 3.08Å; Y412-A484 HydrophobicContact CD1-CB 3.93Å; Y412-A484 HydrophobicContact CE1-CB 4.03Å; Y412-E485 HydrophobicContact CE1-CG 4.38Å; Y412-I488 HydrophobicContact CE1-CG1 4.19Å
413	I	98.6	Very high	98.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-43.1	179	-71	165.9	0	0	0	111.3	T409 T410 R411 E416 L417 V434 L472 V474 A484 F487 I488	T409-I413 HydrophobicContact CG2-CD1 3.98Å; T409-I413 WeakPolarHBondContact O-CG1 3.36Å; T409-I413 PolarHBondContact O-N 2.97Å; T410-I413 PolarHBondContact O-N 2.98Å; R411-I413 VanDerWaalsContact C-N 3.31Å; R411-I413 PolarHBondContact O-N 3.17Å; I413-E416 PolarHBondContact O-N 2.94Å; I413-L417 HydrophobicContact CG2-CD1 3.69Å; I413-L417 HydrophobicContact CG2-CG 4.15Å; I413-L417 VanDerWaalsContact O-CB 3.3Å; I413-L417 WeakPolarHBondContact O-CB 3.25Å; I413-L417 WeakPolarHBondContact O-CG 3.38Å; I413-L417 PolarHBondContact O-N 3.37Å; I413-V434 HydrophobicContact CG2-CG2 4.36Å; I413-L472 HydrophobicContact CD1-CD2 3.99Å; I413-V474 HydrophobicContact CD1-CG2 3.76Å; I413-A484 HydrophobicContact CD1-CB 4.15Å; I413-A484 HydrophobicContact CG1-CB 4.09Å; I413-F487 HydrophobicContact CG2-CD1 4.26Å; I413-F487 HydrophobicContact CG2-CE1 4.03Å; I413-I488 HydrophobicContact CG2-CD1 4.26Å
414	I	98.4	Very high	98.1	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-50.5	177.4	-68.9	159.9	0	0	0	110.6	T410 R411 Y412 E416 L417 R418 P429 V434	T410-I414 HydrophobicContact CG2-CD1 3.93Å; T410-I414 WeakPolarHBondContact O-CD1 3.47Å; T410-I414 VanDerWaalsContact O-CG1 3.29Å; T410-I414 WeakPolarHBondContact O-CG1 3.36Å; T410-I414 PolarHBondContact O-N 3.02Å; R411-I414 PolarHBondContact O-N 2.83Å; Y412-I414 PolarHBondContact O-N 2.88Å; I414-E416 VanDerWaalsContact C-N 3.32Å; I414-E416 PolarHBondContact O-N 3.43Å; I414-L417 PolarHBondContact O-N 2.85Å; I414-R418 WeakPolarHBondContact O-CB 3.33Å; I414-R418 WeakPolarHBondContact O-CG 3.37Å; I414-R418 PolarHBondContact O-N 3.01Å; I414-P429 HydrophobicContact CD1-CG 3.94Å; I414-P429 WeakPolarHBondContact CD1-O 3.28Å; I414-P429 HydrophobicContact CG1-CG 4.24Å; I414-V434 HydrophobicContact CD1-CG2 4.1Å; I414-V434 HydrophobicContact CG1-CB 4.35Å; I414-V434 HydrophobicContact CG1-CG1 3.72Å; I414-V434 HydrophobicContact CG1-CG2 3.65Å
415	D	98.3	Very high	98.1	Very high	80 Å²	80	41.6 Å²	41.6	43%	0.428	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-40.6	-177.3	-69.3	-18.5	0	0	0	111.5	R411 Y412 K419	R411-D415 VanDerWaalsContact O-CG 3.32Å; R411-D415 PolarHBondContact O-N 3.47Å; Y412-D415 PolarHBondContact O-N 2.89Å; D415-K419 WeakPolarHBondContact O-CD 3.41Å; D415-K419 VanDerWaalsContact O-CE 3.32Å; D415-K419 WeakPolarHBondContact O-CE 3.48Å; D415-K419 VanDerWaalsContact O-CG 3.3Å; D415-K419 WeakPolarHBondContact O-CG 3.47Å
416	E	98.6	Very high	98.1	Very high	46 Å²	46	38.2 Å²	38.2	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-73.5	-40.5	177.8	-71.7	-55.4	118.6	0	0	113.1	Y412 I413 I414 R418 K419 I488	Y412-E416 HydrophobicContact CD2-CG 4.17Å; Y412-E416 HydrophobicContact CE1-CG 4.1Å; Y412-E416 HydrophobicContact CE2-CG 3.67Å; Y412-E416 WeakPolarHBondContact O-CB 3.36Å; Y412-E416 WeakPolarHBondContact O-CG 3.25Å; Y412-E416 PolarHBondContact O-N 3.08Å; I413-E416 PolarHBondContact O-N 2.94Å; I414-E416 VanDerWaalsContact C-N 3.32Å; I414-E416 PolarHBondContact O-N 3.43Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.32Å; E416-K419 WeakPolarHBondContact O-CB 3.26Å; E416-K419 PolarHBondContact O-N 3.39Å; E416-K419 IonicContact OE1-NZ 2.88Å; E416-K419 PolarHBondContact OE1-NZ 2.88Å; E416-I488 HydrophobicContact CB-CB 4.36Å; E416-I488 HydrophobicContact CB-CD1 3.66Å; E416-I488 HydrophobicContact CB-CG1 3.72Å; E416-I488 HydrophobicContact CB-CG2 3.71Å; E416-I488 HydrophobicContact CG-CG1 4.32Å; E416-I488 HydrophobicContact CG-CG2 4.23Å
417	L	98.5	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-41.7	175.7	-76.9	174.2	0	0	0	111.5	I413 I414 K419 I420 V425 V434 F436 F487 I488 V491	I413-L417 HydrophobicContact CG2-CD1 3.69Å; I413-L417 HydrophobicContact CG2-CG 4.15Å; I413-L417 VanDerWaalsContact O-CB 3.3Å; I413-L417 WeakPolarHBondContact O-CB 3.25Å; I413-L417 WeakPolarHBondContact O-CG 3.38Å; I413-L417 PolarHBondContact O-N 3.37Å; I414-L417 PolarHBondContact O-N 2.85Å; L417-K419 PolarHBondContact O-N 3.44Å; L417-I420 HydrophobicContact CD2-CD1 4.17Å; L417-I420 PolarHBondContact O-N 3.23Å; L417-I420 VanDerWaalsContact O-N 3.09Å; L417-V425 HydrophobicContact CB-CG2 3.88Å; L417-V425 HydrophobicContact CD1-CG2 4.35Å; L417-V434 HydrophobicContact CD1-CG1 3.8Å; L417-F436 HydrophobicContact CD1-CB 4.42Å; L417-F436 HydrophobicContact CD1-CD1 3.73Å; L417-F436 HydrophobicContact CD1-CE1 4.14Å; L417-F436 HydrophobicContact CD1-CG 4.09Å; L417-F436 HydrophobicContact CD2-CD2 4.45Å; L417-F436 HydrophobicContact CD2-CE2 4.46Å; L417-F487 HydrophobicContact CD2-CE1 4.43Å; L417-I488 HydrophobicContact CD2-CD1 4.06Å; L417-I488 HydrophobicContact CG-CD1 3.88Å; L417-V491 HydrophobicContact CD2-CG1 3.87Å
418	R	98.1	Very high	97.8	Very high	103 Å²	103	44.9 Å²	44.9	39%	0.389	22%	0.224	S	C	.	.	H	α-helix	trans	-62	-21	176.3	-74.5	175.4	172.7	178.3	-4.9	113.4	I414 E416 V425 G427 E428	I414-R418 WeakPolarHBondContact O-CB 3.33Å; I414-R418 WeakPolarHBondContact O-CG 3.37Å; I414-R418 PolarHBondContact O-N 3.01Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.32Å; R418-V425 HydrophobicContact CG-CB 4.37Å; R418-V425 HydrophobicContact CG-CG2 4.02Å; R418-G427 PolarHBondContact NH2-O 3.04Å; R418-G427 VanDerWaalsContact NH2-O 3.09Å; R418-E428 IonicContact CZ-OE1 3.12Å; R418-E428 IonicContact CZ-OE2 3.94Å; R418-E428 IonicContact NH1-OE1 2.86Å; R418-E428 PolarHBondContact NH1-OE1 3.47Å; R418-E428 IonicContact NH1-OE2 2.61Å; R418-E428 PolarHBondContact NH1-OE2 3.11Å; R418-E428 VanDerWaalsContact NH1-OE2 3.12Å; R418-E428 IonicContact NH2-OE1 3.67Å; R418-E428 PolarHBondContact NH2-OE1 2.98Å; R418-E428 IonicContact NH2-OE2 2.78Å; R418-E428 PolarHBondContact NH2-OE2 2.89Å
419	K	98.4	Very high	97.7	Very high	132 Å²	132	42.8 Å²	42.8	57%	0.574	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.2	176.9	-65.1	165.8	-163.8	171.3	0	113.5	D415 E416 L417 P421	D415-K419 WeakPolarHBondContact O-CD 3.41Å; D415-K419 VanDerWaalsContact O-CE 3.32Å; D415-K419 WeakPolarHBondContact O-CE 3.48Å; D415-K419 VanDerWaalsContact O-CG 3.3Å; D415-K419 WeakPolarHBondContact O-CG 3.47Å; E416-K419 WeakPolarHBondContact O-CB 3.26Å; E416-K419 PolarHBondContact O-N 3.39Å; E416-K419 IonicContact OE1-NZ 2.88Å; E416-K419 PolarHBondContact OE1-NZ 2.88Å; L417-K419 PolarHBondContact O-N 3.44Å; K419-P421 WeakPolarHBondContact O-CD 3.24Å
420	I	98.3	Very high	97.4	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.046	22%	0.216	C	C	.	.	S	Bend	trans	-83.2	118.7	-177.4	-61.3	173.3	0	0	0	109.8	L417 G422 I423 V491 K492 A495	L417-I420 HydrophobicContact CD2-CD1 4.17Å; L417-I420 PolarHBondContact O-N 3.23Å; L417-I420 VanDerWaalsContact O-N 3.09Å; I420-G422 PolarHBondContact O-N 3Å; I420-I423 HydrophobicContact CB-CB 4.35Å; I420-I423 HydrophobicContact CB-CD1 4.39Å; I420-I423 HydrophobicContact CG2-CB 4.45Å; I420-I423 HydrophobicContact CG2-CD1 3.94Å; I420-I423 HydrophobicContact CG2-CG1 4.15Å; I420-I423 PolarHBondContact O-N 2.99Å; I420-I423 VanDerWaalsContact O-N 3.14Å; I420-V491 HydrophobicContact CD1-CB 4.27Å; I420-V491 HydrophobicContact CD1-CG1 3.78Å; I420-K492 HydrophobicContact CD1-CB 3.98Å; I420-K492 HydrophobicContact CG1-CB 4.26Å; I420-K492 HydrophobicContact CG1-CG 4.45Å; I420-A495 HydrophobicContact CG2-CB 3.91Å
421	P	97	Very high	97.4	Very high	98 Å²	98	44.2 Å²	44.2	64%	0.636	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	129.5	178.2	-25.8	35.5	0	0	0	112.4	K419	K419-P421 WeakPolarHBondContact O-CD 3.24Å
422	G	96	Very high	97.4	Very high	17 Å²	17	41.2 Å²	41.2	18%	0.175	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	1.6	179.6	0	0	0	0	0	115.1	I420 S438 N440	I420-G422 PolarHBondContact O-N 3Å; G422-S438 WeakPolarHBondContact O-CA 3.49Å; G422-S438 WeakPolarHBondContact O-CB 3.34Å; G422-S438 PolarHBondContact O-OG 3.29Å; G422-N440 VanDerWaalsContact CA-OD1 3.31Å; G422-N440 WeakPolarHBondContact CA-OD1 2.96Å
423	I	98.1	Very high	97.4	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.072	19%	0.189	C	C	.	.			trans	-111.2	141.8	172.1	-66.1	-172.7	0	0	0	109.9	I420 F436 S437 F441 L446 V491 A495	I420-I423 HydrophobicContact CB-CB 4.35Å; I420-I423 HydrophobicContact CB-CD1 4.39Å; I420-I423 HydrophobicContact CG2-CB 4.45Å; I420-I423 HydrophobicContact CG2-CD1 3.94Å; I420-I423 HydrophobicContact CG2-CG1 4.15Å; I420-I423 PolarHBondContact O-N 2.99Å; I420-I423 VanDerWaalsContact O-N 3.14Å; I423-F436 HydrophobicContact CD1-CD2 4.41Å; I423-F436 HydrophobicContact CG2-CB 4.03Å; I423-F436 HydrophobicContact CG2-CD2 3.93Å; I423-F436 HydrophobicContact CG2-CG 4.36Å; I423-S437 WeakPolarHBondContact CA-O 3.4Å; I423-F441 HydrophobicContact CD1-CZ 4.5Å; I423-F441 HydrophobicContact CG1-CZ 4.03Å; I423-L446 HydrophobicContact CD1-CD1 3.97Å; I423-V491 HydrophobicContact CD1-CG1 3.34Å; I423-A495 HydrophobicContact CD1-CB 4.07Å; I423-A495 HydrophobicContact CG1-CB 4.43Å
424	F	98	Very high	97.4	Very high	66 Å²	66	37.3 Å²	37.3	29%	0.289	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151	167.8	68.1	-89.6	0	0	0	110.6	F426 F436 S437 N439	F424-F426 AromaticContact CE2-CD1 3.9Å; F424-F426 HydrophobicContact CE2-CD1 3.9Å; F424-F426 AromaticContact CE2-CE1 3.49Å; F424-F426 HydrophobicContact CE2-CE1 3.49Å; F424-F426 VanDerWaalsContact CE2-CE1 3.49Å; F424-F426 HydrophobicContact CE2-CE2 4.11Å; F424-F426 HydrophobicContact CE2-CG 4.45Å; F424-F426 AromaticContact CE2-CZ 3.6Å; F424-F426 HydrophobicContact CE2-CZ 3.6Å; F424-F426 HydrophobicContact CZ-CE1 4.06Å; F424-F426 AromaticContact CZ-CZ 3.9Å; F424-F426 HydrophobicContact CZ-CZ 3.9Å; F424-F436 CarbonylContact O-C 3.51Å; F424-F436 WeakPolarHBondContact O-CA 3.46Å; F424-F436 VanDerWaalsContact O-CB 3.24Å; F424-F436 WeakPolarHBondContact O-CB 3.43Å; F424-S437 WeakPolarHBondContact CD1-O 3.4Å; F424-S437 PolarHBondContact N-O 3.02Å; F424-S437 PolarHBondContact O-N 3.37Å; F424-N439 WeakPolarHBondContact CE1-OD1 3.41Å
425	V	98.4	Very high	97.4	Very high	16 Å²	16	37 Å²	37	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.9	176.1	175.4	0	0	0	0	108.5	L417 R418 P429 V434 A435 F436	L417-V425 HydrophobicContact CB-CG2 3.88Å; L417-V425 HydrophobicContact CD1-CG2 4.35Å; R418-V425 HydrophobicContact CG-CB 4.37Å; R418-V425 HydrophobicContact CG-CG2 4.02Å; V425-P429 HydrophobicContact CG1-CG 3.72Å; V425-V434 HydrophobicContact CG1-CG1 3.93Å; V425-V434 HydrophobicContact CG2-CG1 4.28Å; V425-A435 WeakPolarHBondContact CA-O 3.47Å; V425-F436 HydrophobicContact CG2-CB 4.32Å
426	F	97.8	Very high	97.4	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	17%	0.168	C	C	.	.			trans	-78	126.9	178.3	-69.7	-79.4	0	0	0	111.7	Y249 H276 F424 P429 A435 S437 P467 A469	Y249-F426 HydrophobicContact CD1-CB 4.46Å; Y249-F426 HydrophobicContact CD1-CD1 4.27Å; Y249-F426 HydrophobicContact CD2-CB 4.43Å; Y249-F426 HydrophobicContact CD2-CD1 4.33Å; Y249-F426 AromaticContact CE1-CD1 3.52Å; Y249-F426 HydrophobicContact CE1-CD1 3.52Å; Y249-F426 HydrophobicContact CE1-CE1 4.01Å; Y249-F426 HydrophobicContact CE1-CG 4.27Å; Y249-F426 AromaticContact CE2-CD1 3.63Å; Y249-F426 HydrophobicContact CE2-CD1 3.63Å; Y249-F426 HydrophobicContact CE2-CE1 4.39Å; Y249-F426 HydrophobicContact CG-CB 4.44Å; Y249-F426 AromaticContact CZ-CD1 3.18Å; Y249-F426 AromaticContact CZ-CE1 3.63Å; Y249-F426 VanDerWaalsContact OH-CD1 3.24Å; Y249-F426 WeakPolarHBondContact OH-CD1 3.49Å; Y249-F426 WeakPolarHBondContact OH-CE1 3.48Å; H276-F426 HydrophobicContact CB-CB 4.46Å; F424-F426 AromaticContact CE2-CD1 3.9Å; F424-F426 HydrophobicContact CE2-CD1 3.9Å; F424-F426 AromaticContact CE2-CE1 3.49Å; F424-F426 HydrophobicContact CE2-CE1 3.49Å; F424-F426 VanDerWaalsContact CE2-CE1 3.49Å; F424-F426 HydrophobicContact CE2-CE2 4.11Å; F424-F426 HydrophobicContact CE2-CG 4.45Å; F424-F426 AromaticContact CE2-CZ 3.6Å; F424-F426 HydrophobicContact CE2-CZ 3.6Å; F424-F426 HydrophobicContact CZ-CE1 4.06Å; F424-F426 AromaticContact CZ-CZ 3.9Å; F424-F426 HydrophobicContact CZ-CZ 3.9Å; F426-P429 WeakPolarHBondContact O-CD 3.1Å; F426-A435 HydrophobicContact CB-CB 4.5Å; F426-A435 HydrophobicContact CD2-CB 3.89Å; F426-A435 PolarHBondContact N-O 2.99Å; F426-S437 VanDerWaalsContact CE2-CB 3.47Å; F426-P467 HydrophobicContact CE1-CG 3.52Å; F426-P467 HydrophobicContact CZ-CB 4.49Å; F426-P467 HydrophobicContact CZ-CG 3.61Å; F426-A469 HydrophobicContact CD2-CB 4.27Å; F426-A469 HydrophobicContact CE2-CB 3.38Å; F426-A469 HydrophobicContact CZ-CB 3.95Å
427	G	96.2	Very high	97.4	Very high	12 Å²	12	31.4 Å²	31.4	12%	0.124	16%	0.16	C	C	.	.	S	Bend	trans	55.7	-150.1	177.9	0	0	0	0	0	113.9	R418 P429	R418-G427 PolarHBondContact NH2-O 3.04Å; R418-G427 VanDerWaalsContact NH2-O 3.09Å; G427-P429 VanDerWaalsContact C-CD 3.5Å; G427-P429 WeakPolarHBondContact O-CD 3.37Å
428	E	95.4	Very high	97.3	Very high	128 Å²	128	32 Å²	32	60%	0.598	16%	0.164	S	C	*	.			trans	-118	75.9	176	-67.6	-59.6	144.7	0	0	110.7	R418 N430	R418-E428 IonicContact CZ-OE1 3.12Å; R418-E428 IonicContact CZ-OE2 3.94Å; R418-E428 IonicContact NH1-OE1 2.86Å; R418-E428 PolarHBondContact NH1-OE1 3.47Å; R418-E428 IonicContact NH1-OE2 2.61Å; R418-E428 PolarHBondContact NH1-OE2 3.11Å; R418-E428 VanDerWaalsContact NH1-OE2 3.12Å; R418-E428 IonicContact NH2-OE1 3.67Å; R418-E428 PolarHBondContact NH2-OE1 2.98Å; R418-E428 IonicContact NH2-OE2 2.78Å; R418-E428 PolarHBondContact NH2-OE2 2.89Å; E428-N430 PolarHBondContact O-N 3.36Å
429	P	95.3	Very high	97.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	18%	0.181	C	C	.	.			trans	-69.3	107	-177.8	25.3	-29.7	0	0	0	110.1	I278 R411 I414 V425 F426 G427 V433 V434	I278-P429 HydrophobicContact CD1-CB 4.27Å; R411-P429 PolarHBondContact NH1-O 3Å; I414-P429 HydrophobicContact CD1-CG 3.94Å; I414-P429 WeakPolarHBondContact CD1-O 3.28Å; I414-P429 HydrophobicContact CG1-CG 4.24Å; V425-P429 HydrophobicContact CG1-CG 3.72Å; F426-P429 WeakPolarHBondContact O-CD 3.1Å; G427-P429 VanDerWaalsContact C-CD 3.5Å; G427-P429 WeakPolarHBondContact O-CD 3.37Å; P429-V433 VanDerWaalsContact CB-O 3.22Å; P429-V433 WeakPolarHBondContact CB-O 3.33Å; P429-V434 HydrophobicContact CG-CG1 4.45Å
430	N	92.5	Very high	97	Very high	50 Å²	50	31.6 Å²	31.6	27%	0.267	18%	0.176	S	C	.	.			trans	-101.8	3	-171.5	69.1	-0.9	0	0	0	113.9	I279 M310 R411 E428	I279-N430 WeakPolarHBondContact CD1-OD1 3.33Å; M310-N430 WeakPolarHBondContact CE-O 3.44Å; R411-N430 VanDerWaalsContact CZ-O 3.28Å; R411-N430 PolarHBondContact NH1-O 3.46Å; R411-N430 VanDerWaalsContact NH2-CA 3.31Å; R411-N430 VanDerWaalsContact NH2-CB 3.31Å; R411-N430 PolarHBondContact NH2-O 2.92Å; E428-N430 PolarHBondContact O-N 3.36Å
431	V	97	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-107.2	-110.5	-178.7	-164.5	0	0	0	0	110.9	P272 I279 L306 L307 M310 I407 T410	P272-V431 HydrophobicContact CB-CG2 4.05Å; P272-V431 HydrophobicContact CG-CB 3.94Å; P272-V431 HydrophobicContact CG-CG1 4.25Å; P272-V431 HydrophobicContact CG-CG2 3.9Å; I279-V431 HydrophobicContact CD1-CG2 3.66Å; I279-V431 HydrophobicContact CG1-CG2 3.8Å; L306-V431 HydrophobicContact CB-CG1 4.22Å; L306-V431 HydrophobicContact CD1-CG1 3.71Å; L307-V431 HydrophobicContact CD2-CB 4.46Å; L307-V431 HydrophobicContact CD2-CG1 3.91Å; L307-V431 HydrophobicContact CD2-CG2 3.64Å; M310-V431 HydrophobicContact SD-CG1 4.46Å; I407-V431 HydrophobicContact CD1-CG1 4.34Å; I407-V431 WeakPolarHBondContact CD1-O 3.49Å; T410-V431 WeakPolarHBondContact CB-O 3.46Å; T410-V431 WeakPolarHBondContact CG2-O 3.27Å; T410-V431 PolarHBondContact OG1-O 2.96Å
432	S	97.9	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-125	-15.5	-171.5	52.5	0	0	0	0	114.6	Y337 V474	Y337-S432 WeakPolarHBondContact CE2-OG 3.33Å; Y337-S432 VanDerWaalsContact CZ-OG 3.31Å; Y337-S432 WeakPolarHBondContact OH-CB 3.24Å; Y337-S432 PolarHBondContact OH-OG 3.27Å; S432-V474 WeakPolarHBondContact O-CB 3.39Å; S432-V474 WeakPolarHBondContact O-CG2 3.21Å; S432-V474 PolarHBondContact O-N 2.99Å
433	V	98.6	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133	179	173.8	0	0	0	0	109.7	L302 P429 H471 L472 C473	L302-V433 HydrophobicContact CD2-CG2 3.61Å; P429-V433 VanDerWaalsContact CB-O 3.22Å; P429-V433 WeakPolarHBondContact CB-O 3.33Å; V433-H471 HydrophobicContact CG1-CB 3.96Å; V433-L472 WeakPolarHBondContact CA-O 3.23Å; V433-C473 HydrophobicContact CG2-CB 3.8Å
434	V	98.6	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.5	175.2	-170.2	0	0	0	0	108.8	T410 I413 I414 L417 V425 P429 H471 L472	T410-V434 HydrophobicContact CG2-CG2 3.45Å; T410-V434 VanDerWaalsContact CG2-CG2 3.45Å; I413-V434 HydrophobicContact CG2-CG2 4.36Å; I414-V434 HydrophobicContact CD1-CG2 4.1Å; I414-V434 HydrophobicContact CG1-CB 4.35Å; I414-V434 HydrophobicContact CG1-CG1 3.72Å; I414-V434 HydrophobicContact CG1-CG2 3.65Å; L417-V434 HydrophobicContact CD1-CG1 3.8Å; V425-V434 HydrophobicContact CG1-CG1 3.93Å; V425-V434 HydrophobicContact CG2-CG1 4.28Å; P429-V434 HydrophobicContact CG-CG1 4.45Å; V434-H471 WeakPolarHBondContact O-CA 3.37Å; V434-H471 VanDerWaalsContact O-CB 3.28Å; V434-H471 WeakPolarHBondContact O-CB 3.35Å; V434-L472 PolarHBondContact N-O 3.44Å; V434-L472 PolarHBondContact O-N 2.96Å
435	A	98.6	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.1	171.8	0	0	0	0	0	111.1	P275 H276 V425 F426 L464 V470 H471	P275-A435 WeakPolarHBondContact O-CB 3.38Å; H276-A435 HydrophobicContact CB-CB 4.28Å; V425-A435 WeakPolarHBondContact CA-O 3.47Å; F426-A435 HydrophobicContact CB-CB 4.5Å; F426-A435 HydrophobicContact CD2-CB 3.89Å; F426-A435 PolarHBondContact N-O 2.99Å; A435-L464 HydrophobicContact CB-CD1 3.88Å; A435-V470 WeakPolarHBondContact CA-O 3.26Å; A435-H471 HydrophobicContact CB-CB 3.95Å
436	F	98.5	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.5	-179.6	60.5	-83.4	0	0	0	111.6	L417 I423 F424 V425 I443 L446 L461 V470 F487 V491	L417-F436 HydrophobicContact CD1-CB 4.42Å; L417-F436 HydrophobicContact CD1-CD1 3.73Å; L417-F436 HydrophobicContact CD1-CE1 4.14Å; L417-F436 HydrophobicContact CD1-CG 4.09Å; L417-F436 HydrophobicContact CD2-CD2 4.45Å; L417-F436 HydrophobicContact CD2-CE2 4.46Å; I423-F436 HydrophobicContact CD1-CD2 4.41Å; I423-F436 HydrophobicContact CG2-CB 4.03Å; I423-F436 HydrophobicContact CG2-CD2 3.93Å; I423-F436 HydrophobicContact CG2-CG 4.36Å; F424-F436 CarbonylContact O-C 3.51Å; F424-F436 WeakPolarHBondContact O-CA 3.46Å; F424-F436 VanDerWaalsContact O-CB 3.24Å; F424-F436 WeakPolarHBondContact O-CB 3.43Å; V425-F436 HydrophobicContact CG2-CB 4.32Å; F436-I443 HydrophobicContact CD2-CD1 4.28Å; F436-I443 HydrophobicContact CE2-CD1 4.43Å; F436-L446 HydrophobicContact CE2-CD2 3.86Å; F436-L446 HydrophobicContact CZ-CD2 4.46Å; F436-L461 HydrophobicContact CZ-CD1 4.22Å; F436-V470 HydrophobicContact CD1-CG2 4.21Å; F436-V470 HydrophobicContact CD2-CG2 3.82Å; F436-V470 HydrophobicContact CE1-CG2 3.79Å; F436-V470 HydrophobicContact CE2-CG2 3.37Å; F436-V470 HydrophobicContact CG-CG2 4.23Å; F436-V470 HydrophobicContact CZ-CG2 3.35Å; F436-V470 PolarHBondContact N-O 3.08Å; F436-V470 PolarHBondContact O-N 3.35Å; F436-F487 HydrophobicContact CE1-CZ 4.01Å; F436-F487 AromaticContact CZ-CZ 3.92Å; F436-F487 HydrophobicContact CZ-CZ 3.92Å; F436-V491 HydrophobicContact CE2-CG1 4.46Å
437	S	98	Very high	95.4	Very high	8 Å²	8	25.8 Å²	25.8	6%	0.056	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-174.3	179.3	-168.4	0	0	0	0	111.7	I423 F424 F426 P468	I423-S437 WeakPolarHBondContact CA-O 3.4Å; F424-S437 WeakPolarHBondContact CD1-O 3.4Å; F424-S437 PolarHBondContact N-O 3.02Å; F424-S437 PolarHBondContact O-N 3.37Å; F426-S437 VanDerWaalsContact CE2-CB 3.47Å; S437-P468 WeakPolarHBondContact CB-O 3.28Å; S437-P468 PolarHBondContact OG-O 3.13Å
438	S	96.7	Very high	95.2	Very high	12 Å²	12	27.8 Å²	27.8	8%	0.084	14%	0.143	C	C	.	.			trans	-140.6	136.8	180	-176.7	0	0	0	0	110.8	G422 N440 F441	G422-S438 WeakPolarHBondContact O-CA 3.49Å; G422-S438 WeakPolarHBondContact O-CB 3.34Å; G422-S438 PolarHBondContact O-OG 3.29Å; S438-N440 PolarHBondContact OG-N 3.46Å; S438-F441 WeakPolarHBondContact CB-O 3.44Å; S438-F441 WeakPolarHBondContact OG-CD1 3.08Å; S438-F441 WeakPolarHBondContact OG-CE1 3.39Å; S438-F441 PolarHBondContact OG-N 3.31Å; S438-F441 VanDerWaalsContact OG-N 3.14Å
439	N	94.4	Very high	95	Very high	139 Å²	139	23.6 Å²	23.6	74%	0.743	13%	0.127	S	C	*	.	S	Bend	trans	-91.8	-2.2	167.6	-67.1	-30.5	0	0	0	112.1	F424	F424-N439 WeakPolarHBondContact CE1-OD1 3.41Å
440	N	94.8	Very high	94.9	Very high	87 Å²	87	23.6 Å²	23.6	47%	0.465	13%	0.127	S	C	.	.	S	Bend	trans	-110.4	-22.3	-172.2	-58.7	100.3	0	0	0	113.2	G422 S438 M499 P502	G422-N440 VanDerWaalsContact CA-OD1 3.31Å; G422-N440 WeakPolarHBondContact CA-OD1 2.96Å; S438-N440 PolarHBondContact OG-N 3.46Å; N440-M499 HydrophobicContact CB-CE 3.93Å; N440-M499 HydrophobicContact CB-SD 3.33Å; N440-M499 WeakPolarHBondContact CB-SD 3.49Å; N440-P502 WeakPolarHBondContact O-CB 3.48Å
441	F	93.2	Very high	94.8	Very high	14 Å²	14	23.4 Å²	23.4	6%	0.061	13%	0.13	C	C	.	.	S	Bend	trans	-146.9	163.6	174.8	57.2	-101.2	0	0	0	111.1	I423 S438 I443 L446 A495 L498 M499	I423-F441 HydrophobicContact CD1-CZ 4.5Å; I423-F441 HydrophobicContact CG1-CZ 4.03Å; S438-F441 WeakPolarHBondContact CB-O 3.44Å; S438-F441 WeakPolarHBondContact OG-CD1 3.08Å; S438-F441 WeakPolarHBondContact OG-CE1 3.39Å; S438-F441 PolarHBondContact OG-N 3.31Å; S438-F441 VanDerWaalsContact OG-N 3.14Å; F441-I443 HydrophobicContact CE2-CD1 4.22Å; F441-I443 PolarHBondContact O-N 3.38Å; F441-L446 HydrophobicContact CE2-CB 3.87Å; F441-L446 HydrophobicContact CE2-CD1 3.7Å; F441-L446 HydrophobicContact CE2-CG 4.44Å; F441-L446 HydrophobicContact CZ-CD1 3.7Å; F441-A495 HydrophobicContact CE1-CB 4.09Å; F441-A495 HydrophobicContact CZ-CB 4.03Å; F441-L498 HydrophobicContact CB-CB 4.03Å; F441-L498 HydrophobicContact CD1-CB 4Å; F441-L498 HydrophobicContact CD2-CB 4.19Å; F441-L498 HydrophobicContact CD2-CD1 3.78Å; F441-L498 HydrophobicContact CE2-CD1 3.97Å; F441-L498 HydrophobicContact CG-CB 3.81Å; F441-L498 HydrophobicContact CG-CD1 4.27Å; F441-M499 HydrophobicContact CD1-CG 4.18Å; F441-M499 HydrophobicContact CD1-SD 3.85Å; F441-M499 HydrophobicContact CE1-CG 4.3Å; F441-M499 HydrophobicContact CE1-SD 4.23Å
442	D	91.9	Very high	93.8	Very high	47 Å²	47	26.8 Å²	26.8	25%	0.251	15%	0.148	S	C	.	.			trans	-68.2	111	173.9	174.8	1.5	0	0	0	110.4	Y444 K445 S506	D442-Y444 PolarHBondContact O-N 2.88Å; D442-Y444 WeakPolarHBondContact OD1-CB 3.47Å; D442-Y444 WeakPolarHBondContact OD1-CD2 3.44Å; D442-Y444 PolarHBondContact OD1-N 3.09Å; D442-K445 HydrophobicContact CB-CD 3.9Å; D442-K445 HydrophobicContact CB-CG 4Å; D442-K445 WeakPolarHBondContact O-CB 3.31Å; D442-K445 PolarHBondContact O-N 3.1Å; D442-S506 PolarHBondContact OD2-OG 3.31Å
443	I	94.8	Very high	92.6	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-28.2	-177.2	-167.6	63	0	0	0	113.1	F436 F441 K445 L446 S447 P468 V470	F436-I443 HydrophobicContact CD2-CD1 4.28Å; F436-I443 HydrophobicContact CE2-CD1 4.43Å; F441-I443 HydrophobicContact CE2-CD1 4.22Å; F441-I443 PolarHBondContact O-N 3.38Å; I443-K445 VanDerWaalsContact C-N 3.27Å; I443-K445 PolarHBondContact O-N 3.33Å; I443-L446 HydrophobicContact CD1-CB 4.35Å; I443-L446 HydrophobicContact CD1-CD2 4.17Å; I443-L446 WeakPolarHBondContact O-CB 3.33Å; I443-L446 PolarHBondContact O-N 3.16Å; I443-L446 VanDerWaalsContact O-N 3.11Å; I443-S447 PolarHBondContact O-N 3.06Å; I443-P468 HydrophobicContact CG2-CB 4Å; I443-V470 HydrophobicContact CD1-CG2 4.06Å; I443-V470 HydrophobicContact CG1-CG1 4.17Å; I443-V470 HydrophobicContact CG1-CG2 3.91Å
444	Y	92.9	Very high	91	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-25.6	177.8	-58.4	-54.8	0	0	0	112.4	D442 L446 S447 H448 N463 L464 P468 Q517	D442-Y444 PolarHBondContact O-N 2.88Å; D442-Y444 WeakPolarHBondContact OD1-CB 3.47Å; D442-Y444 WeakPolarHBondContact OD1-CD2 3.44Å; D442-Y444 PolarHBondContact OD1-N 3.09Å; Y444-L446 VanDerWaalsContact C-N 3.31Å; Y444-S447 WeakPolarHBondContact O-CB 3.42Å; Y444-S447 PolarHBondContact O-N 3.01Å; Y444-H448 WeakPolarHBondContact O-CB 3.48Å; Y444-H448 PolarHBondContact O-N 3.16Å; Y444-N463 HydrophobicContact CD1-CB 4.23Å; Y444-N463 HydrophobicContact CE1-CB 4.04Å; Y444-L464 WeakPolarHBondContact CE1-O 3.32Å; Y444-L464 PolarHBondContact OH-O 3.24Å; Y444-P468 HydrophobicContact CE2-CB 3.9Å; Y444-Q517 VanDerWaalsContact CE2-NE2 3.29Å; Y444-Q517 PolarHBondContact OH-NE2 3.3Å
445	K	91.8	Very high	89.5	Confident	28 Å²	28	44.4 Å²	44.4	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-36.9	170.9	-64.1	174.7	-171.8	157	0	111.2	D442 I443 S449 L498 P502 K504 S506 V510	D442-K445 HydrophobicContact CB-CD 3.9Å; D442-K445 HydrophobicContact CB-CG 4Å; D442-K445 WeakPolarHBondContact O-CB 3.31Å; D442-K445 PolarHBondContact O-N 3.1Å; I443-K445 VanDerWaalsContact C-N 3.27Å; I443-K445 PolarHBondContact O-N 3.33Å; K445-S449 WeakPolarHBondContact O-CB 3.39Å; K445-S449 PolarHBondContact O-N 3.43Å; K445-S449 PolarHBondContact O-OG 2.85Å; K445-L498 HydrophobicContact CB-CD1 4.25Å; K445-L498 HydrophobicContact CB-CD2 3.95Å; K445-L498 HydrophobicContact CD-CD2 4.24Å; K445-P502 PolarHBondContact NZ-O 2.83Å; K445-K504 WeakPolarHBondContact CE-O 3.4Å; K445-K504 PolarHBondContact NZ-O 3Å; K445-S506 WeakPolarHBondContact CE-OG 3.23Å; K445-V510 HydrophobicContact CG-CG1 4.02Å
446	L	93.8	Very high	88.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-48.8	174.5	179.6	142.4	0	0	0	110	I423 F436 F441 I443 Y444 H448 S449 L450 V470 V491 I494 A495 L498	I423-L446 HydrophobicContact CD1-CD1 3.97Å; F436-L446 HydrophobicContact CE2-CD2 3.86Å; F436-L446 HydrophobicContact CZ-CD2 4.46Å; F441-L446 HydrophobicContact CE2-CB 3.87Å; F441-L446 HydrophobicContact CE2-CD1 3.7Å; F441-L446 HydrophobicContact CE2-CG 4.44Å; F441-L446 HydrophobicContact CZ-CD1 3.7Å; I443-L446 HydrophobicContact CD1-CB 4.35Å; I443-L446 HydrophobicContact CD1-CD2 4.17Å; I443-L446 WeakPolarHBondContact O-CB 3.33Å; I443-L446 PolarHBondContact O-N 3.16Å; I443-L446 VanDerWaalsContact O-N 3.11Å; Y444-L446 VanDerWaalsContact C-N 3.31Å; L446-H448 VanDerWaalsContact C-N 3.33Å; L446-H448 PolarHBondContact O-N 3.49Å; L446-S449 PolarHBondContact O-N 3.46Å; L446-L450 HydrophobicContact CD2-CD1 3.51Å; L446-L450 HydrophobicContact CD2-CG 4.48Å; L446-L450 HydrophobicContact CG-CD1 4.19Å; L446-L450 WeakPolarHBondContact O-CB 3.34Å; L446-L450 WeakPolarHBondContact O-CG 3.33Å; L446-L450 PolarHBondContact O-N 3.23Å; L446-V470 HydrophobicContact CD2-CG2 4.48Å; L446-V491 HydrophobicContact CD1-CG1 4.31Å; L446-I494 HydrophobicContact CB-CG2 4.36Å; L446-I494 HydrophobicContact CD1-CG2 4.38Å; L446-I494 HydrophobicContact CG-CG2 4.07Å; L446-A495 HydrophobicContact CD1-CB 4.14Å; L446-L498 HydrophobicContact CB-CD1 3.71Å
447	S	93.6	Very high	88	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-54.1	-46.9	174.8	-161.3	0	0	0	0	113.2	I443 Y444 L450 S451 N463	I443-S447 PolarHBondContact O-N 3.06Å; Y444-S447 WeakPolarHBondContact O-CB 3.42Å; Y444-S447 PolarHBondContact O-N 3.01Å; S447-L450 PolarHBondContact O-N 2.9Å; S447-S451 PolarHBondContact O-N 3.4Å; S447-S451 VanDerWaalsContact O-N 3.12Å; S447-S451 PolarHBondContact O-OG 3.19Å; S447-N463 VanDerWaalsContact CB-OD1 3.25Å; S447-N463 WeakPolarHBondContact CB-OD1 3.46Å; S447-N463 PolarHBondContact OG-OD1 3.36Å
448	H	90.3	Very high	87.7	Confident	54 Å²	54	49.7 Å²	49.7	25%	0.25	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-43.6	179.1	-179	-75.1	0	0	0	112.5	Y444 L446 L450 S451 D452 V510	Y444-H448 WeakPolarHBondContact O-CB 3.48Å; Y444-H448 PolarHBondContact O-N 3.16Å; L446-H448 VanDerWaalsContact C-N 3.33Å; L446-H448 PolarHBondContact O-N 3.49Å; H448-L450 PolarHBondContact O-N 3.37Å; H448-S451 WeakPolarHBondContact CA-OG 3.34Å; H448-S451 PolarHBondContact O-N 2.97Å; H448-S451 PolarHBondContact O-OG 3.21Å; H448-S451 VanDerWaalsContact O-OG 3.07Å; H448-D452 IonicContact CE1-OD2 3.07Å; H448-D452 PolarHBondContact CE1-OD2 3.29Å; H448-D452 WeakPolarHBondContact O-CB 3.06Å; H448-D452 PolarHBondContact O-N 2.91Å; H448-V510 HydrophobicContact CB-CG2 3.24Å; H448-V510 VanDerWaalsContact CD2-CG2 3.47Å; H448-V510 WeakPolarHBondContact CD2-CG2 3.3Å; H448-V510 VanDerWaalsContact CG-CG2 3.45Å
449	S	92.1	Very high	87.6	Confident	40 Å²	40	49.3 Å²	49.3	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-28.4	177.3	-54.4	0	0	0	0	111.7	K445 L446 G456	K445-S449 WeakPolarHBondContact O-CB 3.39Å; K445-S449 PolarHBondContact O-N 3.43Å; K445-S449 PolarHBondContact O-OG 2.85Å; L446-S449 PolarHBondContact O-N 3.46Å; S449-G456 WeakPolarHBondContact O-CA 3.29Å
450	L	93.8	Very high	87.6	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-30.4	172.6	-75.2	168.6	0	0	0	112.6	L446 S447 H448 R457 G458 W459 L461 D490 V491 I494	L446-L450 HydrophobicContact CD2-CD1 3.51Å; L446-L450 HydrophobicContact CD2-CG 4.48Å; L446-L450 HydrophobicContact CG-CD1 4.19Å; L446-L450 WeakPolarHBondContact O-CB 3.34Å; L446-L450 WeakPolarHBondContact O-CG 3.33Å; L446-L450 PolarHBondContact O-N 3.23Å; S447-L450 PolarHBondContact O-N 2.9Å; H448-L450 PolarHBondContact O-N 3.37Å; L450-R457 CarbonylContact O-C 3.55Å; L450-R457 WeakPolarHBondContact O-CA 3.17Å; L450-R457 PolarHBondContact O-N 2.95Å; L450-G458 PolarHBondContact O-N 3.49Å; L450-W459 HydrophobicContact CB-CB 4.05Å; L450-W459 HydrophobicContact CB-CG 4.45Å; L450-W459 HydrophobicContact CD2-CG 4.38Å; L450-W459 PolarHBondContact O-N 2.89Å; L450-L461 HydrophobicContact CD1-CD1 3.74Å; L450-D490 HydrophobicContact CD2-CB 3.83Å; L450-V491 HydrophobicContact CD1-CG2 4.05Å; L450-V491 HydrophobicContact CD2-CG2 4.32Å; L450-I494 HydrophobicContact CB-CD1 4.43Å; L450-I494 HydrophobicContact CD2-CD1 3.53Å; L450-I494 HydrophobicContact CG-CD1 3.71Å
451	S	89.7	Confident	87.6	Confident	47 Å²	47	42 Å²	42	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-96.3	-36.4	-171.5	55	0	0	0	0	116	S447 H448 K453 W459	S447-S451 PolarHBondContact O-N 3.4Å; S447-S451 VanDerWaalsContact O-N 3.12Å; S447-S451 PolarHBondContact O-OG 3.19Å; H448-S451 WeakPolarHBondContact CA-OG 3.34Å; H448-S451 PolarHBondContact O-N 2.97Å; H448-S451 PolarHBondContact O-OG 3.21Å; H448-S451 VanDerWaalsContact O-OG 3.07Å; S451-K453 PolarHBondContact O-N 3.04Å; S451-W459 WeakPolarHBondContact CA-O 3.49Å; S451-W459 WeakPolarHBondContact CB-O 3.2Å
452	D	74.9	Confident	87.7	Confident	70 Å²	70	43.6 Å²	43.6	37%	0.374	24%	0.235	S	C	.	.	S	Bend	trans	-75.1	79.7	-163.8	-173.5	32.6	0	0	0	114.9	H448 N455 G456	H448-D452 IonicContact CE1-OD2 3.07Å; H448-D452 PolarHBondContact CE1-OD2 3.29Å; H448-D452 WeakPolarHBondContact O-CB 3.06Å; H448-D452 PolarHBondContact O-N 2.91Å; D452-N455 CarbonylContact O-C 3.5Å; D452-N455 WeakPolarHBondContact O-CA 3.46Å; D452-N455 PolarHBondContact O-N 2.89Å; D452-G456 WeakPolarHBondContact O-CA 3.46Å; D452-G456 PolarHBondContact O-N 3.16Å
453	K	73	Confident	87.9	Confident	110 Å²	110	43.5 Å²	43.5	48%	0.478	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	140.2	174.1	-68.1	-166.3	-178.5	-172.6	0	111.5	S451	S451-K453 PolarHBondContact O-N 3.04Å
454	P	66.7	Low	87.9	Confident	119 Å²	119	44 Å²	44	77%	0.773	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.5	-4.6	6.7	35.5	-36.1	0	0	0	114.5
455	N	67	Low	87.9	Confident	142 Å²	142	48.1 Å²	48.1	76%	0.759	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.9	-172.5	-61.8	-37.6	0	0	0	113.9	D452	D452-N455 CarbonylContact O-C 3.5Å; D452-N455 WeakPolarHBondContact O-CA 3.46Å; D452-N455 PolarHBondContact O-N 2.89Å
456	G	76.8	Confident	87.9	Confident	13 Å²	13	52.8 Å²	52.8	13%	0.134	28%	0.278	C	S	.	.	S	Bend	trans	-114.8	-161.3	174.5	0	0	0	0	0	112	S449 D452	S449-G456 WeakPolarHBondContact O-CA 3.29Å; D452-G456 WeakPolarHBondContact O-CA 3.46Å; D452-G456 PolarHBondContact O-N 3.16Å
457	R	88	Confident	87.9	Confident	98 Å²	98	54.7 Å²	54.7	37%	0.37	29%	0.29	S	S	.	.			trans	-110.2	-11.3	-170.8	-56.9	-63.9	174.5	121.2	-3.1	113.5	F127 L450 D490 E493 I494	F127-R457 VanDerWaalsContact CE1-O 3.28Å; F127-R457 WeakPolarHBondContact CE1-O 3.47Å; L450-R457 CarbonylContact O-C 3.55Å; L450-R457 WeakPolarHBondContact O-CA 3.17Å; L450-R457 PolarHBondContact O-N 2.95Å; R457-D490 HydrophobicContact CB-CB 4.41Å; R457-D490 WeakPolarHBondContact CB-OD2 3.17Å; R457-D490 WeakPolarHBondContact CD-OD1 3.22Å; R457-D490 HydrophobicContact CG-CB 4Å; R457-D490 IonicContact CZ-OD1 3.48Å; R457-D490 IonicContact NE-OD1 2.66Å; R457-D490 IonicContact NH1-OD1 3.28Å; R457-D490 PolarHBondContact NH1-OD1 3.27Å; R457-E493 IonicContact CZ-OE2 2.77Å; R457-E493 VanDerWaalsContact CZ-OE2 3.29Å; R457-E493 IonicContact NH1-OE2 2.69Å; R457-E493 PolarHBondContact NH1-OE2 2.59Å; R457-E493 VanDerWaalsContact NH1-OE2 3.12Å; R457-E493 IonicContact NH2-OE2 3.75Å; R457-E493 PolarHBondContact NH2-OE2 3.28Å; R457-I494 HydrophobicContact CG-CD1 4.36Å
458	G	90.7	Very high	87.9	Confident	8 Å²	8	57 Å²	57	8%	0.082	31%	0.305	C	S	.	.			trans	93.5	5.9	176.3	0	0	0	0	0	115.6	F127 L450	F127-G458 WeakPolarHBondContact CB-O 3.07Å; L450-G458 PolarHBondContact O-N 3.49Å
459	W	95.1	Very high	88.3	Confident	3 Å²	3	54.5 Å²	54.5	1%	0.011	29%	0.293	C	S	.	.			trans	-67.1	142	177	-63.8	96	0	0	0	111.1	G126 F127 L450 S451 L461 R486 F487 D490	G126-W459 WeakPolarHBondContact O-CZ3 3.45Å; F127-W459 HydrophobicContact CB-CE3 4.49Å; F127-W459 AromaticContact CD1-CD2 3.74Å; F127-W459 HydrophobicContact CD1-CD2 3.74Å; F127-W459 AromaticContact CD1-CE2 3.74Å; F127-W459 HydrophobicContact CD1-CE3 4.14Å; F127-W459 HydrophobicContact CD1-CG 4.07Å; F127-W459 HydrophobicContact CD1-CH2 4.42Å; F127-W459 HydrophobicContact CD1-CZ2 4.08Å; F127-W459 HydrophobicContact CD1-CZ3 4.47Å; F127-W459 HydrophobicContact CE1-CD2 4.42Å; F127-W459 AromaticContact CE1-CE2 3.96Å; F127-W459 HydrophobicContact CE1-CZ2 4.14Å; F127-W459 CarbonylContact O-C 3.19Å; F127-W459 VanDerWaalsContact O-CA 3.29Å; F127-W459 WeakPolarHBondContact O-CA 3.43Å; L450-W459 HydrophobicContact CB-CB 4.05Å; L450-W459 HydrophobicContact CB-CG 4.45Å; L450-W459 HydrophobicContact CD2-CG 4.38Å; L450-W459 PolarHBondContact O-N 2.89Å; S451-W459 WeakPolarHBondContact CA-O 3.49Å; S451-W459 WeakPolarHBondContact CB-O 3.2Å; W459-L461 HydrophobicContact CB-CG 4.4Å; W459-R486 HydrophobicContact CZ2-CG 4.37Å; W459-F487 AromaticContact CD2-CD2 3.84Å; W459-F487 HydrophobicContact CD2-CD2 3.84Å; W459-F487 HydrophobicContact CD2-CE2 4.49Å; W459-F487 AromaticContact CE2-CD2 3.88Å; W459-F487 AromaticContact CE3-CD2 3.78Å; W459-F487 HydrophobicContact CE3-CD2 3.78Å; W459-F487 HydrophobicContact CE3-CE2 4.4Å; W459-F487 HydrophobicContact CH2-CB 3.49Å; W459-F487 VanDerWaalsContact CH2-CB 3.49Å; W459-F487 AromaticContact CH2-CD2 3.93Å; W459-F487 HydrophobicContact CH2-CD2 3.93Å; W459-F487 HydrophobicContact CH2-CG 4.14Å; W459-F487 HydrophobicContact CZ2-CB 3.61Å; W459-F487 AromaticContact CZ2-CD2 3.96Å; W459-F487 HydrophobicContact CZ2-CD2 3.96Å; W459-F487 HydrophobicContact CZ2-CG 4.3Å; W459-F487 HydrophobicContact CZ3-CB 4.12Å; W459-F487 AromaticContact CZ3-CD2 3.81Å; W459-F487 HydrophobicContact CZ3-CD2 3.81Å; W459-F487 HydrophobicContact CZ3-CG 4.31Å; W459-D490 PolarHBondContact NE1-OD2 2.96Å
460	N	93.8	Very high	88.5	Confident	59 Å²	59	52.6 Å²	52.6	32%	0.316	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-117.9	97.1	169.3	-168.1	-69	0	0	0	107.9	I121 F127 V128 S129	I121-N460 HydrophobicContact CD1-CB 4.21Å; I121-N460 VanDerWaalsContact CD1-ND2 3.33Å; I121-N460 WeakPolarHBondContact CD1-ND2 2.98Å; I121-N460 HydrophobicContact CG2-CB 4.3Å; F127-N460 PolarHBondContact O-N 2.86Å; V128-N460 HydrophobicContact CG1-CB 4.41Å; V128-N460 HydrophobicContact CG2-CB 4.13Å; S129-N460 WeakPolarHBondContact CB-O 3.45Å; S129-N460 PolarHBondContact N-O 3.4Å
461	L	95.8	Very high	88.7	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.068	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-98.6	159.1	177.3	-57.3	-175.3	0	0	0	109.9	F436 L450 W459 V470 L472 F487	F436-L461 HydrophobicContact CZ-CD1 4.22Å; L450-L461 HydrophobicContact CD1-CD1 3.74Å; W459-L461 HydrophobicContact CB-CG 4.4Å; L461-V470 HydrophobicContact CD1-CG2 4.46Å; L461-L472 HydrophobicContact CD2-CB 4.23Å; L461-L472 HydrophobicContact CD2-CD1 3.78Å; L461-F487 HydrophobicContact CD1-CE2 4.1Å; L461-F487 HydrophobicContact CD1-CZ 4.46Å; L461-F487 HydrophobicContact CD2-CE2 4.01Å
462	N	96	Very high	89.1	Confident	48 Å²	48	50.3 Å²	50.3	26%	0.257	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.2	172.2	-55.2	83.1	0	0	0	109.2	S129 V470 H471	S129-N462 WeakPolarHBondContact CB-OD1 3.25Å; S129-N462 PolarHBondContact OG-OD1 3.4Å; N462-V470 CarbonylContact O-C 3.55Å; N462-V470 VanDerWaalsContact O-CA 3.29Å; N462-V470 WeakPolarHBondContact O-CA 3.3Å; N462-H471 VanDerWaalsContact CB-CD2 3.41Å; N462-H471 WeakPolarHBondContact CB-CD2 3.29Å; N462-H471 VanDerWaalsContact CB-NE2 3.3Å; N462-H471 WeakPolarHBondContact CB-NE2 3.47Å; N462-H471 VanDerWaalsContact CG-NE2 3.25Å; N462-H471 PolarHBondContact N-O 3.48Å; N462-H471 PolarHBondContact O-N 2.94Å; N462-H471 PolarHBondContact OD1-CD2 3.26Å; N462-H471 VanDerWaalsContact OD1-CD2 3.32Å; N462-H471 PolarHBondContact OD1-NE2 3.38Å; N462-H471 VanDerWaalsContact OD1-NE2 3.09Å
463	N	94.9	Very high	90.3	Very high	45 Å²	45	47.1 Å²	47.1	24%	0.241	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.3	168.8	-67.2	-21	0	0	0	109.3	Y444 S447 V470 Y513	Y444-N463 HydrophobicContact CD1-CB 4.23Å; Y444-N463 HydrophobicContact CE1-CB 4.04Å; S447-N463 VanDerWaalsContact CB-OD1 3.25Å; S447-N463 WeakPolarHBondContact CB-OD1 3.46Å; S447-N463 PolarHBondContact OG-OD1 3.36Å; N463-V470 WeakPolarHBondContact OD1-CG1 3.13Å; N463-Y513 HydrophobicContact CB-CD1 3.99Å; N463-Y513 HydrophobicContact CB-CE1 3.84Å; N463-Y513 HydrophobicContact CB-CE2 4.4Å; N463-Y513 HydrophobicContact CB-CG 4.34Å; N463-Y513 WeakPolarHBondContact ND2-CD2 3.19Å; N463-Y513 WeakPolarHBondContact ND2-CE2 3.48Å
464	L	95.4	Very high	91.5	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	159.7	179.2	-51.3	179.1	0	0	0	109.7	P275 A435 Y444 A469 H471	P275-L464 WeakPolarHBondContact O-CD1 3.33Å; A435-L464 HydrophobicContact CB-CD1 3.88Å; Y444-L464 WeakPolarHBondContact CE1-O 3.32Å; Y444-L464 PolarHBondContact OH-O 3.24Å; L464-A469 HydrophobicContact CB-CB 3.95Å; L464-A469 HydrophobicContact CD1-CB 4.03Å; L464-A469 HydrophobicContact CG-CB 4.44Å; L464-A469 PolarHBondContact N-O 3.44Å; L464-A469 PolarHBondContact O-N 3.48Å; L464-H471 HydrophobicContact CD1-CB 4.04Å
465	Q	92.8	Very high	93	Very high	90 Å²	90	36.2 Å²	36.2	42%	0.421	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	155.1	-178.5	54.1	179.6	-13.2	0	0	109.9	P467 Q517	Q465-P467 CarbonylContact C-O 3.5Å; Q465-P467 WeakPolarHBondContact CA-O 3.31Å; Q465-Q517 HydrophobicContact CB-CG 3.67Å
466	F	91.8	Very high	94.4	Very high	126 Å²	126	29.9 Å²	29.9	55%	0.553	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	64.2	-179	-48.7	-67.9	0	0	0	113.3	Q517	F466-Q517 HydrophobicContact CE1-CB 4.04Å; F466-Q517 HydrophobicContact CE1-CG 4.08Å; F466-Q517 HydrophobicContact CE2-CG 4.26Å; F466-Q517 HydrophobicContact CZ-CB 4.05Å; F466-Q517 HydrophobicContact CZ-CG 3.9Å
467	P	93.9	Very high	95.2	Very high	41 Å²	41	30 Å²	30	27%	0.266	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.9	166.7	7.3	34.7	-35.4	0	0	0	114.1	Y249 F426 Q465 A469	Y249-P467 HydrophobicContact CE1-CG 4.45Å; F426-P467 HydrophobicContact CE1-CG 3.52Å; F426-P467 HydrophobicContact CZ-CB 4.49Å; F426-P467 HydrophobicContact CZ-CG 3.61Å; Q465-P467 CarbonylContact C-O 3.5Å; Q465-P467 WeakPolarHBondContact CA-O 3.31Å; P467-A469 PolarHBondContact O-N 3.32Å
468	P	94.3	Very high	95.7	Very high	56 Å²	56	25.4 Å²	25.4	36%	0.364	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	121.9	171.6	-21.4	30.6	0	0	0	111	S437 I443 Y444	S437-P468 WeakPolarHBondContact CB-O 3.28Å; S437-P468 PolarHBondContact OG-O 3.13Å; I443-P468 HydrophobicContact CG2-CB 4Å; Y444-P468 HydrophobicContact CE2-CB 3.9Å
469	A	96.7	Very high	96	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	173.3	-178.8	0	0	0	0	0	111.5	F426 L464 P467	F426-A469 HydrophobicContact CD2-CB 4.27Å; F426-A469 HydrophobicContact CE2-CB 3.38Å; F426-A469 HydrophobicContact CZ-CB 3.95Å; L464-A469 HydrophobicContact CB-CB 3.95Å; L464-A469 HydrophobicContact CD1-CB 4.03Å; L464-A469 HydrophobicContact CG-CB 4.44Å; L464-A469 PolarHBondContact N-O 3.44Å; L464-A469 PolarHBondContact O-N 3.48Å; P467-A469 PolarHBondContact O-N 3.32Å
470	V	97.3	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.3	164.7	-66.3	0	0	0	0	109	A435 F436 I443 L446 L461 N462 N463	A435-V470 WeakPolarHBondContact CA-O 3.26Å; F436-V470 HydrophobicContact CD1-CG2 4.21Å; F436-V470 HydrophobicContact CD2-CG2 3.82Å; F436-V470 HydrophobicContact CE1-CG2 3.79Å; F436-V470 HydrophobicContact CE2-CG2 3.37Å; F436-V470 HydrophobicContact CG-CG2 4.23Å; F436-V470 HydrophobicContact CZ-CG2 3.35Å; F436-V470 PolarHBondContact N-O 3.08Å; F436-V470 PolarHBondContact O-N 3.35Å; I443-V470 HydrophobicContact CD1-CG2 4.06Å; I443-V470 HydrophobicContact CG1-CG1 4.17Å; I443-V470 HydrophobicContact CG1-CG2 3.91Å; L446-V470 HydrophobicContact CD2-CG2 4.48Å; L461-V470 HydrophobicContact CD1-CG2 4.46Å; N462-V470 CarbonylContact O-C 3.55Å; N462-V470 VanDerWaalsContact O-CA 3.29Å; N462-V470 WeakPolarHBondContact O-CA 3.3Å; N463-V470 WeakPolarHBondContact OD1-CG1 3.13Å
471	H	98.3	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.1	167	73.6	-157.1	0	0	0	113.8	F274 P275 V433 V434 A435 N462 L464	F274-H471 AromaticContact CD1-CE1 3.84Å; F274-H471 AromaticContact CE1-CE1 3.43Å; F274-H471 VanDerWaalsContact CE1-CE1 3.43Å; F274-H471 WeakPolarHBondContact CE1-CE1 3.41Å; F274-H471 AromaticContact CE1-NE2 3.93Å; F274-H471 AromaticContact CE2-CE1 3.69Å; F274-H471 AromaticContact CE2-NE2 3.76Å; F274-H471 AromaticContact CZ-CE1 3.34Å; F274-H471 WeakPolarHBondContact CZ-CE1 3.43Å; F274-H471 AromaticContact CZ-NE2 3.42Å; F274-H471 WeakPolarHBondContact CZ-NE2 3.35Å; F274-H471 PolarHBondContact O-CE1 3.45Å; F274-H471 PolarHBondContact O-ND1 2.81Å; P275-H471 PolarHBondContact O-ND1 2.99Å; V433-H471 HydrophobicContact CG1-CB 3.96Å; V434-H471 WeakPolarHBondContact O-CA 3.37Å; V434-H471 VanDerWaalsContact O-CB 3.28Å; V434-H471 WeakPolarHBondContact O-CB 3.35Å; A435-H471 HydrophobicContact CB-CB 3.95Å; N462-H471 VanDerWaalsContact CB-CD2 3.41Å; N462-H471 WeakPolarHBondContact CB-CD2 3.29Å; N462-H471 VanDerWaalsContact CB-NE2 3.3Å; N462-H471 WeakPolarHBondContact CB-NE2 3.47Å; N462-H471 VanDerWaalsContact CG-NE2 3.25Å; N462-H471 PolarHBondContact N-O 3.48Å; N462-H471 PolarHBondContact O-N 2.94Å; N462-H471 PolarHBondContact OD1-CD2 3.26Å; N462-H471 VanDerWaalsContact OD1-CD2 3.32Å; N462-H471 PolarHBondContact OD1-NE2 3.38Å; N462-H471 VanDerWaalsContact OD1-NE2 3.09Å; L464-H471 HydrophobicContact CD1-CB 4.04Å
472	L	98.4	Very high	96.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.8	163.3	179	64.9	0	0	0	109	I413 V433 V434 L461 V474 F487	I413-L472 HydrophobicContact CD1-CD2 3.99Å; V433-L472 WeakPolarHBondContact CA-O 3.23Å; V434-L472 PolarHBondContact N-O 3.44Å; V434-L472 PolarHBondContact O-N 2.96Å; L461-L472 HydrophobicContact CD2-CB 4.23Å; L461-L472 HydrophobicContact CD2-CD1 3.78Å; L472-V474 HydrophobicContact CD2-CG2 4.39Å; L472-V474 HydrophobicContact CG-CG2 4.37Å; L472-F487 HydrophobicContact CB-CZ 4.17Å; L472-F487 HydrophobicContact CD2-CD1 3.74Å; L472-F487 HydrophobicContact CD2-CD2 4.2Å; L472-F487 HydrophobicContact CD2-CE1 3.63Å; L472-F487 HydrophobicContact CD2-CE2 4.1Å; L472-F487 HydrophobicContact CD2-CG 4.03Å; L472-F487 HydrophobicContact CD2-CZ 3.82Å
473	C	98.6	Very high	96.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	103.8	168.8	-179.3	0	0	0	0	109.1	S129 G130 Y337 V433 T475	S129-C473 WeakPolarHBondContact OG-CB 3.39Å; S129-C473 PolarHBondContact OG-N 2.9Å; G130-C473 PolarHBondContact N-O 3.27Å; Y337-C473 PolarHBondContact OH-SG 3.43Å; V433-C473 HydrophobicContact CG2-CB 3.8Å; C473-T475 PolarHBondContact O-N 3.27Å
474	V	98.6	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.			trans	-72.7	107.6	-176.1	-177.5	0	0	0	0	110.2	Y337 I406 T409 T410 I413 S432 L472 H478	Y337-V474 PolarHBondContact OH-O 3.09Å; Y337-V474 VanDerWaalsContact OH-O 3.13Å; I406-V474 HydrophobicContact CG2-CG1 4.35Å; I406-V474 WeakPolarHBondContact CG2-O 3.22Å; T409-V474 HydrophobicContact CG2-CG1 3.89Å; T410-V474 HydrophobicContact CG2-CG2 4.42Å; T410-V474 WeakPolarHBondContact OG1-CB 3.33Å; I413-V474 HydrophobicContact CD1-CG2 3.76Å; S432-V474 WeakPolarHBondContact O-CB 3.39Å; S432-V474 WeakPolarHBondContact O-CG2 3.21Å; S432-V474 PolarHBondContact O-N 2.99Å; L472-V474 HydrophobicContact CD2-CG2 4.39Å; L472-V474 HydrophobicContact CG-CG2 4.37Å; V474-H478 HydrophobicContact CG1-CB 3.97Å
475	T	98.2	Very high	96.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.189	C	C	.	.			trans	-95.1	175.1	170.7	69.2	0	0	0	0	112.7	V132 Y133 C473 M477 H478	V132-T475 WeakPolarHBondContact O-CB 3.28Å; V132-T475 WeakPolarHBondContact O-CG2 3.21Å; V132-T475 PolarHBondContact O-OG1 2.89Å; Y133-T475 HydrophobicContact CD1-CG2 3.83Å; Y133-T475 HydrophobicContact CE1-CG2 4.13Å; Y133-T475 HydrophobicContact CG-CG2 4.16Å; C473-T475 PolarHBondContact O-N 3.27Å; T475-M477 PolarHBondContact O-N 3.47Å; T475-M477 PolarHBondContact OG1-N 3.36Å; T475-H478 PolarHBondContact N-ND1 3.49Å; T475-H478 PolarHBondContact O-N 3.36Å; T475-H478 PolarHBondContact O-ND1 2.75Å; T475-H478 PolarHBondContact OG1-CE1 2.93Å; T475-H478 PolarHBondContact OG1-ND1 3.19Å
476	D	96.8	Very high	96.5	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61	-27.6	178.1	-159.8	33.7	0	0	0	111.6	Y133 R135 F339 R405 I406 H478 T479	Y133-D476 WeakPolarHBondContact O-CB 3.31Å; Y133-D476 PolarHBondContact O-N 2.84Å; Y133-D476 VanDerWaalsContact O-N 3.16Å; R135-D476 WeakPolarHBondContact CD-O 3.33Å; R135-D476 WeakPolarHBondContact CG-OD2 3.39Å; R135-D476 IonicContact NE-OD1 2.7Å; R135-D476 IonicContact NE-OD2 3.29Å; R135-D476 PolarHBondContact NE-OD2 2.7Å; F339-D476 HydrophobicContact CE1-CB 4.15Å; F339-D476 HydrophobicContact CZ-CB 4.28Å; R405-D476 IonicContact CZ-OD1 2.72Å; R405-D476 VanDerWaalsContact CZ-OD1 3.3Å; R405-D476 IonicContact CZ-OD2 3.69Å; R405-D476 IonicContact NE-OD1 3.96Å; R405-D476 PolarHBondContact NE-OD1 2.96Å; R405-D476 IonicContact NH2-OD1 2.78Å; R405-D476 PolarHBondContact NH2-OD1 3.17Å; R405-D476 IonicContact NH2-OD2 3.48Å; R405-D476 PolarHBondContact NH2-OD2 3.29Å; I406-D476 HydrophobicContact CD1-CB 4.33Å; D476-H478 VanDerWaalsContact C-N 3.26Å; D476-H478 PolarHBondContact O-N 3.09Å; D476-T479 WeakPolarHBondContact O-CB 3.49Å; D476-T479 PolarHBondContact O-N 2.95Å; D476-T479 VanDerWaalsContact O-N 3.08Å; D476-T479 PolarHBondContact O-OG1 2.72Å; D476-T479 PolarHBondContact OD1-OG1 3.46Å; D476-T479 VanDerWaalsContact OD1-OG1 3.11Å
477	M	94.7	Very high	96.8	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.074	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55.4	-38.1	173.2	-69.4	-58.8	-49.7	0	0	113.3	N124 P134 R135 T475 T479 T480	N124-M477 VanDerWaalsContact C-CE 3.44Å; N124-M477 WeakPolarHBondContact O-CE 3.4Å; P134-M477 VanDerWaalsContact O-SD 3.35Å; R135-M477 WeakPolarHBondContact CA-SD 3.33Å; R135-M477 HydrophobicContact CB-CE 4.38Å; R135-M477 HydrophobicContact CB-CG 4.35Å; R135-M477 HydrophobicContact CB-SD 3.29Å; R135-M477 WeakPolarHBondContact CB-SD 3.34Å; T475-M477 PolarHBondContact O-N 3.47Å; T475-M477 PolarHBondContact OG1-N 3.36Å; M477-T479 PolarHBondContact O-N 3.45Å; M477-T480 WeakPolarHBondContact O-CB 3.1Å; M477-T480 VanDerWaalsContact O-CG2 3.32Å; M477-T480 WeakPolarHBondContact O-CG2 3.29Å; M477-T480 PolarHBondContact O-N 3.33Å; M477-T480 PolarHBondContact O-OG1 3.38Å
478	H	97.5	Very high	97	Very high	3 Å²	3	29 Å²	29	1%	0.014	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-75.7	-13.3	-177.9	-56.9	91.2	0	0	0	112.8	G126 V128 V474 T475 D476 T480	G126-H478 PolarHBondContact O-CD2 2.94Å; G126-H478 VanDerWaalsContact O-CD2 3.28Å; G126-H478 PolarHBondContact O-NE2 3.39Å; V128-H478 PolarHBondContact O-CE1 2.97Å; V128-H478 PolarHBondContact O-NE2 3.38Å; V474-H478 HydrophobicContact CG1-CB 3.97Å; T475-H478 PolarHBondContact N-ND1 3.49Å; T475-H478 PolarHBondContact O-N 3.36Å; T475-H478 PolarHBondContact O-ND1 2.75Å; T475-H478 PolarHBondContact OG1-CE1 2.93Å; T475-H478 PolarHBondContact OG1-ND1 3.19Å; D476-H478 VanDerWaalsContact C-N 3.26Å; D476-H478 PolarHBondContact O-N 3.09Å; H478-T480 PolarHBondContact O-N 2.89Å
479	T	96.9	Very high	97.2	Very high	26 Å²	26	30.4 Å²	30.4	16%	0.16	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-81.2	-3.2	176.8	78.9	0	0	0	0	112.4	R405 I406 D476 M477	R405-T479 HydrophobicContact CB-CG2 3.8Å; I406-T479 HydrophobicContact CG1-CG2 3.99Å; D476-T479 WeakPolarHBondContact O-CB 3.49Å; D476-T479 PolarHBondContact O-N 2.95Å; D476-T479 VanDerWaalsContact O-N 3.08Å; D476-T479 PolarHBondContact O-OG1 2.72Å; D476-T479 PolarHBondContact OD1-OG1 3.46Å; D476-T479 VanDerWaalsContact OD1-OG1 3.11Å; M477-T479 PolarHBondContact O-N 3.45Å
480	T	95.1	Very high	97.2	Very high	49 Å²	49	30.9 Å²	30.9	30%	0.301	15%	0.153	S	C	.	.	S	Bend	trans	-64.2	139.6	172	55.7	0	0	0	0	110.4	M477 H478 G482 C483	M477-T480 WeakPolarHBondContact O-CB 3.1Å; M477-T480 VanDerWaalsContact O-CG2 3.32Å; M477-T480 WeakPolarHBondContact O-CG2 3.29Å; M477-T480 PolarHBondContact O-N 3.33Å; M477-T480 PolarHBondContact O-OG1 3.38Å; H478-T480 PolarHBondContact O-N 2.89Å; T480-G482 PolarHBondContact O-N 2.94Å; T480-C483 VanDerWaalsContact O-CB 3.31Å; T480-C483 WeakPolarHBondContact O-CB 3.07Å; T480-C483 PolarHBondContact O-N 3.45Å; T480-C483 WeakPolarHBondContact OG1-CB 3.45Å
481	K	95	Very high	97.2	Very high	217 Å²	217	30.9 Å²	30.9	94%	0.943	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	125.2	-174.1	-175.6	179.8	179.6	-179.2	0	111.2	C483	K481-C483 VanDerWaalsContact C-N 3.34Å
482	G	96.2	Very high	97.2	Very high	29 Å²	29	36 Å²	36	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-10.4	177.8	0	0	0	0	0	115	T480 E485 R486	T480-G482 PolarHBondContact O-N 2.94Å; G482-E485 WeakPolarHBondContact CA-OE2 3.41Å; G482-E485 PolarHBondContact N-OE2 3.21Å; G482-R486 WeakPolarHBondContact O-CB 3.31Å; G482-R486 PolarHBondContact O-N 3.33Å
483	C	96.6	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-46.9	-176.9	-174.3	0	0	0	0	112	T480 K481 R486 F487	T480-C483 VanDerWaalsContact O-CB 3.31Å; T480-C483 WeakPolarHBondContact O-CB 3.07Å; T480-C483 PolarHBondContact O-N 3.45Å; T480-C483 WeakPolarHBondContact OG1-CB 3.45Å; K481-C483 VanDerWaalsContact C-N 3.34Å; C483-R486 PolarHBondContact O-N 3.35Å; C483-F487 PolarHBondContact O-N 2.68Å
484	A	97.6	Very high	96.9	Very high	7 Å²	7	39.4 Å²	39.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-39.7	178.8	0	0	0	0	0	111.7	T409 Y412 I413 R486 F487 I488	T409-A484 HydrophobicContact CG2-CB 3.84Å; Y412-A484 HydrophobicContact CD1-CB 3.93Å; Y412-A484 HydrophobicContact CE1-CB 4.03Å; I413-A484 HydrophobicContact CD1-CB 4.15Å; I413-A484 HydrophobicContact CG1-CB 4.09Å; A484-R486 PolarHBondContact O-N 3.46Å; A484-F487 WeakPolarHBondContact O-CB 3.49Å; A484-F487 PolarHBondContact O-N 2.74Å; A484-I488 WeakPolarHBondContact O-CG1 3.23Å; A484-I488 PolarHBondContact O-N 3.36Å
485	E	98	Very high	96.8	Very high	97 Å²	97	39.4 Å²	39.4	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-62.2	-43.3	175.7	-62.5	85.1	165.6	0	0	111.4	Y412 G482 I488 Q489	Y412-E485 HydrophobicContact CE1-CG 4.38Å; G482-E485 WeakPolarHBondContact CA-OE2 3.41Å; G482-E485 PolarHBondContact N-OE2 3.21Å; E485-I488 PolarHBondContact O-N 3.05Å; E485-Q489 WeakPolarHBondContact O-CB 3.28Å; E485-Q489 PolarHBondContact O-N 2.94Å
486	R	97	Very high	96.7	Very high	87 Å²	87	46.3 Å²	46.3	33%	0.328	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-44.7	174.5	-177.3	177.9	64.1	-136.8	-0.7	111.5	E125 W459 G482 C483 A484 I488 Q489 D490	E125-R486 PolarHBondContact O-NH2 3.37Å; W459-R486 HydrophobicContact CZ2-CG 4.37Å; G482-R486 WeakPolarHBondContact O-CB 3.31Å; G482-R486 PolarHBondContact O-N 3.33Å; C483-R486 PolarHBondContact O-N 3.35Å; A484-R486 PolarHBondContact O-N 3.46Å; R486-I488 PolarHBondContact O-N 2.99Å; R486-Q489 PolarHBondContact O-N 2.79Å; R486-D490 WeakPolarHBondContact O-CB 3.3Å; R486-D490 PolarHBondContact O-N 2.83Å
487	F	97.8	Very high	96.5	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-52	176	177.3	-111.5	0	0	0	111.7	I413 L417 F436 W459 L461 L472 C483 A484 Q489 D490 V491	I413-F487 HydrophobicContact CG2-CD1 4.26Å; I413-F487 HydrophobicContact CG2-CE1 4.03Å; L417-F487 HydrophobicContact CD2-CE1 4.43Å; F436-F487 HydrophobicContact CE1-CZ 4.01Å; F436-F487 AromaticContact CZ-CZ 3.92Å; F436-F487 HydrophobicContact CZ-CZ 3.92Å; W459-F487 AromaticContact CD2-CD2 3.84Å; W459-F487 HydrophobicContact CD2-CD2 3.84Å; W459-F487 HydrophobicContact CD2-CE2 4.49Å; W459-F487 AromaticContact CE2-CD2 3.88Å; W459-F487 AromaticContact CE3-CD2 3.78Å; W459-F487 HydrophobicContact CE3-CD2 3.78Å; W459-F487 HydrophobicContact CE3-CE2 4.4Å; W459-F487 HydrophobicContact CH2-CB 3.49Å; W459-F487 VanDerWaalsContact CH2-CB 3.49Å; W459-F487 AromaticContact CH2-CD2 3.93Å; W459-F487 HydrophobicContact CH2-CD2 3.93Å; W459-F487 HydrophobicContact CH2-CG 4.14Å; W459-F487 HydrophobicContact CZ2-CB 3.61Å; W459-F487 AromaticContact CZ2-CD2 3.96Å; W459-F487 HydrophobicContact CZ2-CD2 3.96Å; W459-F487 HydrophobicContact CZ2-CG 4.3Å; W459-F487 HydrophobicContact CZ3-CB 4.12Å; W459-F487 AromaticContact CZ3-CD2 3.81Å; W459-F487 HydrophobicContact CZ3-CD2 3.81Å; W459-F487 HydrophobicContact CZ3-CG 4.31Å; L461-F487 HydrophobicContact CD1-CE2 4.1Å; L461-F487 HydrophobicContact CD1-CZ 4.46Å; L461-F487 HydrophobicContact CD2-CE2 4.01Å; L472-F487 HydrophobicContact CB-CZ 4.17Å; L472-F487 HydrophobicContact CD2-CD1 3.74Å; L472-F487 HydrophobicContact CD2-CD2 4.2Å; L472-F487 HydrophobicContact CD2-CE1 3.63Å; L472-F487 HydrophobicContact CD2-CE2 4.1Å; L472-F487 HydrophobicContact CD2-CG 4.03Å; L472-F487 HydrophobicContact CD2-CZ 3.82Å; C483-F487 PolarHBondContact O-N 2.68Å; A484-F487 WeakPolarHBondContact O-CB 3.49Å; A484-F487 PolarHBondContact O-N 2.74Å; F487-Q489 VanDerWaalsContact C-N 3.34Å; F487-Q489 PolarHBondContact O-N 3.41Å; F487-D490 PolarHBondContact O-N 3.49Å; F487-V491 HydrophobicContact CD2-CG2 4.19Å; F487-V491 HydrophobicContact CE1-CG2 4.13Å; F487-V491 HydrophobicContact CE2-CG2 3.76Å; F487-V491 HydrophobicContact CZ-CG2 3.73Å; F487-V491 VanDerWaalsContact O-CG2 3.29Å; F487-V491 WeakPolarHBondContact O-CG2 3.26Å; F487-V491 PolarHBondContact O-N 3.46Å
488	I	98.4	Very high	96.4	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-43.4	179.9	-67.8	-56.4	0	0	0	111.5	Y412 I413 E416 L417 A484 E485 R486 V491 K492	Y412-I488 HydrophobicContact CE1-CG1 4.19Å; I413-I488 HydrophobicContact CG2-CD1 4.26Å; E416-I488 HydrophobicContact CB-CB 4.36Å; E416-I488 HydrophobicContact CB-CD1 3.66Å; E416-I488 HydrophobicContact CB-CG1 3.72Å; E416-I488 HydrophobicContact CB-CG2 3.71Å; E416-I488 HydrophobicContact CG-CG1 4.32Å; E416-I488 HydrophobicContact CG-CG2 4.23Å; L417-I488 HydrophobicContact CD2-CD1 4.06Å; L417-I488 HydrophobicContact CG-CD1 3.88Å; A484-I488 WeakPolarHBondContact O-CG1 3.23Å; A484-I488 PolarHBondContact O-N 3.36Å; E485-I488 PolarHBondContact O-N 3.05Å; R486-I488 PolarHBondContact O-N 2.99Å; I488-V491 PolarHBondContact O-N 3.38Å; I488-K492 VanDerWaalsContact O-CB 3.24Å; I488-K492 WeakPolarHBondContact O-CB 3.44Å; I488-K492 PolarHBondContact O-N 2.87Å
489	Q	97.6	Very high	96.2	Very high	87 Å²	87	55.8 Å²	55.8	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-45.5	179.2	-176	60.1	25.5	0	0	111.8	E485 R486 F487 K492 E493	E485-Q489 WeakPolarHBondContact O-CB 3.28Å; E485-Q489 PolarHBondContact O-N 2.94Å; R486-Q489 PolarHBondContact O-N 2.79Å; F487-Q489 VanDerWaalsContact C-N 3.34Å; F487-Q489 PolarHBondContact O-N 3.41Å; Q489-K492 PolarHBondContact O-N 3.34Å; Q489-E493 PolarHBondContact NE2-OE1 2.9Å; Q489-E493 WeakPolarHBondContact O-CG 3.45Å; Q489-E493 PolarHBondContact O-N 3.32Å
490	D	96.8	Very high	96	Very high	9 Å²	9	62 Å²	62	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-44.7	178.1	-75.2	-26.8	0	0	0	111.6	L450 R457 W459 R486 F487 K492 E493 I494	L450-D490 HydrophobicContact CD2-CB 3.83Å; R457-D490 HydrophobicContact CB-CB 4.41Å; R457-D490 WeakPolarHBondContact CB-OD2 3.17Å; R457-D490 WeakPolarHBondContact CD-OD1 3.22Å; R457-D490 HydrophobicContact CG-CB 4Å; R457-D490 IonicContact CZ-OD1 3.48Å; R457-D490 IonicContact NE-OD1 2.66Å; R457-D490 IonicContact NH1-OD1 3.28Å; R457-D490 PolarHBondContact NH1-OD1 3.27Å; W459-D490 PolarHBondContact NE1-OD2 2.96Å; R486-D490 WeakPolarHBondContact O-CB 3.3Å; R486-D490 PolarHBondContact O-N 2.83Å; F487-D490 PolarHBondContact O-N 3.49Å; D490-K492 PolarHBondContact O-N 2.89Å; D490-E493 PolarHBondContact O-N 2.97Å; D490-I494 WeakPolarHBondContact O-CG1 3.39Å; D490-I494 PolarHBondContact O-N 2.72Å; D490-I494 VanDerWaalsContact O-N 3.13Å
491	V	97.8	Very high	95.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-45.3	175.7	173	0	0	0	0	110.7	L417 I420 I423 F436 L446 L450 F487 I488 I494 A495	L417-V491 HydrophobicContact CD2-CG1 3.87Å; I420-V491 HydrophobicContact CD1-CB 4.27Å; I420-V491 HydrophobicContact CD1-CG1 3.78Å; I423-V491 HydrophobicContact CD1-CG1 3.34Å; F436-V491 HydrophobicContact CE2-CG1 4.46Å; L446-V491 HydrophobicContact CD1-CG1 4.31Å; L450-V491 HydrophobicContact CD1-CG2 4.05Å; L450-V491 HydrophobicContact CD2-CG2 4.32Å; F487-V491 HydrophobicContact CD2-CG2 4.19Å; F487-V491 HydrophobicContact CE1-CG2 4.13Å; F487-V491 HydrophobicContact CE2-CG2 3.76Å; F487-V491 HydrophobicContact CZ-CG2 3.73Å; F487-V491 VanDerWaalsContact O-CG2 3.29Å; F487-V491 WeakPolarHBondContact O-CG2 3.26Å; F487-V491 PolarHBondContact O-N 3.46Å; I488-V491 PolarHBondContact O-N 3.38Å; V491-I494 PolarHBondContact O-N 3.02Å; V491-A495 WeakPolarHBondContact O-CB 3.32Å; V491-A495 PolarHBondContact O-N 2.94Å
492	K	97.3	Very high	94.7	Very high	108 Å²	108	58.9 Å²	58.9	47%	0.47	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-43.5	-179.1	-176.7	178.1	-178.8	175.7	0	112.5	I420 I488 Q489 D490 K496	I420-K492 HydrophobicContact CD1-CB 3.98Å; I420-K492 HydrophobicContact CG1-CB 4.26Å; I420-K492 HydrophobicContact CG1-CG 4.45Å; I488-K492 VanDerWaalsContact O-CB 3.24Å; I488-K492 WeakPolarHBondContact O-CB 3.44Å; I488-K492 PolarHBondContact O-N 2.87Å; Q489-K492 PolarHBondContact O-N 3.34Å; D490-K492 PolarHBondContact O-N 2.89Å; K492-K496 WeakPolarHBondContact O-CB 3.42Å; K492-K496 PolarHBondContact O-N 3.05Å; K492-K496 VanDerWaalsContact O-N 3.08Å
493	E	96.1	Very high	93.7	Very high	64 Å²	64	64.8 Å²	64.8	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-49.6	177.6	-75.2	176.6	-174	0	0	111.4	R457 Q489 D490 K496 E497	R457-E493 IonicContact CZ-OE2 2.77Å; R457-E493 VanDerWaalsContact CZ-OE2 3.29Å; R457-E493 IonicContact NH1-OE2 2.69Å; R457-E493 PolarHBondContact NH1-OE2 2.59Å; R457-E493 VanDerWaalsContact NH1-OE2 3.12Å; R457-E493 IonicContact NH2-OE2 3.75Å; R457-E493 PolarHBondContact NH2-OE2 3.28Å; Q489-E493 PolarHBondContact NE2-OE1 2.9Å; Q489-E493 WeakPolarHBondContact O-CG 3.45Å; Q489-E493 PolarHBondContact O-N 3.32Å; D490-E493 PolarHBondContact O-N 2.97Å; E493-K496 WeakPolarHBondContact O-CB 3.26Å; E493-K496 PolarHBondContact O-N 2.97Å; E493-E497 PolarHBondContact O-N 2.87Å; E493-E497 VanDerWaalsContact O-N 3.14Å
494	I	95	Very high	92.4	Very high	10 Å²	10	72.2 Å²	72.2	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-43.4	-179	-70.6	166.7	0	0	0	111.3	L446 L450 R457 D490 V491 K496 E497 L498	L446-I494 HydrophobicContact CB-CG2 4.36Å; L446-I494 HydrophobicContact CD1-CG2 4.38Å; L446-I494 HydrophobicContact CG-CG2 4.07Å; L450-I494 HydrophobicContact CB-CD1 4.43Å; L450-I494 HydrophobicContact CD2-CD1 3.53Å; L450-I494 HydrophobicContact CG-CD1 3.71Å; R457-I494 HydrophobicContact CG-CD1 4.36Å; D490-I494 WeakPolarHBondContact O-CG1 3.39Å; D490-I494 PolarHBondContact O-N 2.72Å; D490-I494 VanDerWaalsContact O-N 3.13Å; V491-I494 PolarHBondContact O-N 3.02Å; I494-K496 VanDerWaalsContact C-N 3.31Å; I494-K496 PolarHBondContact O-N 3.41Å; I494-E497 PolarHBondContact O-N 3.3Å; I494-E497 VanDerWaalsContact O-N 3.12Å; I494-L498 HydrophobicContact CG2-CD1 3.81Å; I494-L498 HydrophobicContact CG2-CG 4.29Å; I494-L498 WeakPolarHBondContact O-CG 3.33Å; I494-L498 PolarHBondContact O-N 3.2Å
495	A	96.1	Very high	91	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-44.1	176.5	0	0	0	0	0	111.1	I420 I423 F441 L446 V491 E497 L498 M499	I420-A495 HydrophobicContact CG2-CB 3.91Å; I423-A495 HydrophobicContact CD1-CB 4.07Å; I423-A495 HydrophobicContact CG1-CB 4.43Å; F441-A495 HydrophobicContact CE1-CB 4.09Å; F441-A495 HydrophobicContact CZ-CB 4.03Å; L446-A495 HydrophobicContact CD1-CB 4.14Å; V491-A495 WeakPolarHBondContact O-CB 3.32Å; V491-A495 PolarHBondContact O-N 2.94Å; A495-E497 VanDerWaalsContact C-N 3.28Å; A495-E497 PolarHBondContact O-N 3.31Å; A495-L498 PolarHBondContact O-N 3.3Å; A495-M499 WeakPolarHBondContact O-CB 3.36Å; A495-M499 VanDerWaalsContact O-CG 3.23Å; A495-M499 WeakPolarHBondContact O-CG 3.35Å; A495-M499 PolarHBondContact O-N 2.88Å
496	K	95.8	Very high	89.5	Confident	146 Å²	146	77.8 Å²	77.8	64%	0.635	36%	0.361	S	S	*	.	H	α-helix	trans	-59.5	-37.2	175.8	-176.4	-178.8	-179.3	-179.3	0	112.6	K492 E493 I494	K492-K496 WeakPolarHBondContact O-CB 3.42Å; K492-K496 PolarHBondContact O-N 3.05Å; K492-K496 VanDerWaalsContact O-N 3.08Å; E493-K496 WeakPolarHBondContact O-CB 3.26Å; E493-K496 PolarHBondContact O-N 2.97Å; I494-K496 VanDerWaalsContact C-N 3.31Å; I494-K496 PolarHBondContact O-N 3.41Å
497	E	93.4	Very high	87.9	Confident	127 Å²	127	82 Å²	82	59%	0.593	38%	0.381	S	S	*	.	H	α-helix	trans	-71.1	-43.4	176.1	-70.7	-178.1	179.5	0	0	112.6	E493 I494 A495 M499 K500	E493-E497 PolarHBondContact O-N 2.87Å; E493-E497 VanDerWaalsContact O-N 3.14Å; I494-E497 PolarHBondContact O-N 3.3Å; I494-E497 VanDerWaalsContact O-N 3.12Å; A495-E497 VanDerWaalsContact C-N 3.28Å; A495-E497 PolarHBondContact O-N 3.31Å; E497-M499 VanDerWaalsContact C-N 3.34Å; E497-M499 PolarHBondContact O-N 3.38Å; E497-K500 WeakPolarHBondContact O-CB 3.23Å; E497-K500 PolarHBondContact O-N 3.16Å; E497-K500 VanDerWaalsContact O-N 3.14Å
498	L	93.4	Very high	86.4	Confident	23 Å²	23	84.1 Å²	84.1	12%	0.12	40%	0.404	C	S	.	.	H	α-helix	trans	-66	-36.5	179.1	-68.3	172.6	0	0	0	112.1	F441 K445 L446 I494 A495 K500 K501 P502	F441-L498 HydrophobicContact CB-CB 4.03Å; F441-L498 HydrophobicContact CD1-CB 4Å; F441-L498 HydrophobicContact CD2-CB 4.19Å; F441-L498 HydrophobicContact CD2-CD1 3.78Å; F441-L498 HydrophobicContact CE2-CD1 3.97Å; F441-L498 HydrophobicContact CG-CB 3.81Å; F441-L498 HydrophobicContact CG-CD1 4.27Å; K445-L498 HydrophobicContact CB-CD1 4.25Å; K445-L498 HydrophobicContact CB-CD2 3.95Å; K445-L498 HydrophobicContact CD-CD2 4.24Å; L446-L498 HydrophobicContact CB-CD1 3.71Å; I494-L498 HydrophobicContact CG2-CD1 3.81Å; I494-L498 HydrophobicContact CG2-CG 4.29Å; I494-L498 WeakPolarHBondContact O-CG 3.33Å; I494-L498 PolarHBondContact O-N 3.2Å; A495-L498 PolarHBondContact O-N 3.3Å; L498-K500 PolarHBondContact O-N 2.91Å; L498-K501 CarbonylContact O-C 3.41Å; L498-K501 PolarHBondContact O-N 3.33Å; L498-P502 VanDerWaalsContact O-N 3.15Å
499	M	93.3	Very high	84.8	Confident	76 Å²	76	86.9 Å²	86.9	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-58.7	-28.2	173.1	-74.2	-62.8	-68.6	0	0	113	N440 F441 A495 E497	N440-M499 HydrophobicContact CB-CE 3.93Å; N440-M499 HydrophobicContact CB-SD 3.33Å; N440-M499 WeakPolarHBondContact CB-SD 3.49Å; F441-M499 HydrophobicContact CD1-CG 4.18Å; F441-M499 HydrophobicContact CD1-SD 3.85Å; F441-M499 HydrophobicContact CE1-CG 4.3Å; F441-M499 HydrophobicContact CE1-SD 4.23Å; A495-M499 WeakPolarHBondContact O-CB 3.36Å; A495-M499 VanDerWaalsContact O-CG 3.23Å; A495-M499 WeakPolarHBondContact O-CG 3.35Å; A495-M499 PolarHBondContact O-N 2.88Å; E497-M499 VanDerWaalsContact C-N 3.34Å; E497-M499 PolarHBondContact O-N 3.38Å
500	K	92.3	Very high	83.3	Confident	155 Å²	155	83.1 Å²	83.1	67%	0.674	41%	0.407	S	S	*	.	H	α-helix	trans	-78.1	-21.5	175.5	-64.9	175.2	-178.8	179.9	0	113.1	E497 L498	E497-K500 WeakPolarHBondContact O-CB 3.23Å; E497-K500 PolarHBondContact O-N 3.16Å; E497-K500 VanDerWaalsContact O-N 3.14Å; L498-K500 PolarHBondContact O-N 2.91Å
501	K	85.3	Confident	82	Confident	152 Å²	152	84 Å²	84	66%	0.661	42%	0.416	S	S	*	.			trans	-141	57.5	-173.5	-63.9	-177.2	-178.3	174.7	0	112.2	L498 N503	L498-K501 CarbonylContact O-C 3.41Å; L498-K501 PolarHBondContact O-N 3.33Å; K501-N503 VanDerWaalsContact C-N 3.32Å; K501-N503 PolarHBondContact O-N 3.42Å
502	P	77.8	Confident	80.7	Confident	49 Å²	49	88.2 Å²	88.2	32%	0.318	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-37.9	-171.2	24.1	-34.3	0	0	0	113.1	N440 K445 L498 K504	N440-P502 WeakPolarHBondContact O-CB 3.48Å; K445-P502 PolarHBondContact NZ-O 2.83Å; L498-P502 VanDerWaalsContact O-N 3.15Å; P502-K504 PolarHBondContact O-N 3.47Å
503	N	74	Confident	79.4	Confident	153 Å²	153	88 Å²	88	82%	0.818	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	6.8	-169.4	-64.7	-20.1	0	0	0	115.5	K501 K505	K501-N503 VanDerWaalsContact C-N 3.32Å; K501-N503 PolarHBondContact O-N 3.42Å; N503-K505 PolarHBondContact O-N 2.88Å
504	K	70.7	Confident	78.2	Confident	157 Å²	157	86 Å²	86	68%	0.683	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-64.2	124	178	-172.1	177.7	-179.6	-174.7	0	109.6	K445 P502 S506	K445-K504 WeakPolarHBondContact CE-O 3.4Å; K445-K504 PolarHBondContact NZ-O 3Å; P502-K504 PolarHBondContact O-N 3.47Å; K504-S506 PolarHBondContact O-N 3.23Å
505	K	66.5	Low	77	Confident	187 Å²	187	90.2 Å²	90.2	81%	0.813	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-57.2	135	179.3	-71.1	-173	178.8	-176.8	0	111.7	N503	N503-K505 PolarHBondContact O-N 2.88Å
506	S	67.9	Low	76	Confident	35 Å²	35	91.1 Å²	91.1	25%	0.245	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-67.6	143.8	173.6	-61.2	0	0	0	0	110.6	D442 K445 K504	D442-S506 PolarHBondContact OD2-OG 3.31Å; K445-S506 WeakPolarHBondContact CE-OG 3.23Å; K504-S506 PolarHBondContact O-N 3.23Å
507	K	63.8	Low	75	Confident	174 Å²	174	85.8 Å²	85.8	76%	0.757	44%	0.436	S	S	*	.			trans	-127.8	158.6	178.2	-67.3	-171.5	177.5	-172.6	0	109.9
508	G	66.1	Low	74	Confident	47 Å²	47	86.7 Å²	86.7	49%	0.485	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-143.2	174.2	0	0	0	0	0	113.4	V510 A511 L512	G508-V510 PolarHBondContact O-N 3.05Å; G508-V510 VanDerWaalsContact O-N 3.12Å; G508-A511 WeakPolarHBondContact O-CB 3.35Å; G508-A511 PolarHBondContact O-N 3.44Å; G508-L512 PolarHBondContact O-N 3.15Å
509	S	64.7	Low	73.1	Confident	65 Å²	65	87.6 Å²	87.6	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-55.8	-29.8	-178.1	58.4	0	0	0	0	113.8	A511 L512 Y513	S509-A511 VanDerWaalsContact C-N 3.34Å; S509-A511 PolarHBondContact O-N 3.47Å; S509-L512 WeakPolarHBondContact O-CB 3.41Å; S509-L512 PolarHBondContact O-N 2.83Å; S509-L512 VanDerWaalsContact O-N 3.14Å; S509-Y513 VanDerWaalsContact O-CD2 3.31Å; S509-Y513 WeakPolarHBondContact O-CD2 3.18Å; S509-Y513 PolarHBondContact O-N 2.81Å
510	V	66.1	Low	72.1	Confident	9 Å²	9	87.1 Å²	87.1	6%	0.055	45%	0.45	C	S	.	.	H	α-helix	trans	-59.1	-46	174.1	-173.3	0	0	0	0	111.3	K445 H448 G508 L512 Y513 G514	K445-V510 HydrophobicContact CG-CG1 4.02Å; H448-V510 HydrophobicContact CB-CG2 3.24Å; H448-V510 VanDerWaalsContact CD2-CG2 3.47Å; H448-V510 WeakPolarHBondContact CD2-CG2 3.3Å; H448-V510 VanDerWaalsContact CG-CG2 3.45Å; G508-V510 PolarHBondContact O-N 3.05Å; G508-V510 VanDerWaalsContact O-N 3.12Å; V510-L512 VanDerWaalsContact C-N 3.26Å; V510-L512 PolarHBondContact O-N 3.28Å; V510-Y513 PolarHBondContact O-N 2.71Å; V510-G514 PolarHBondContact O-N 3.47Å; V510-G514 VanDerWaalsContact O-N 3.15Å
511	A	67.8	Low	71.3	Confident	27 Å²	27	80.2 Å²	80.2	22%	0.223	42%	0.42	C	S	.	.	H	α-helix	trans	-64.4	-36.3	178	0	0	0	0	0	110.3	G508 S509 G514 L515	G508-A511 WeakPolarHBondContact O-CB 3.35Å; G508-A511 PolarHBondContact O-N 3.44Å; S509-A511 VanDerWaalsContact C-N 3.34Å; S509-A511 PolarHBondContact O-N 3.47Å; A511-G514 PolarHBondContact O-N 2.9Å; A511-L515 HydrophobicContact CB-CD1 4.26Å; A511-L515 WeakPolarHBondContact O-CB 3.46Å; A511-L515 WeakPolarHBondContact O-CD1 3.4Å; A511-L515 WeakPolarHBondContact O-CG 3.16Å; A511-L515 PolarHBondContact O-N 3.31Å
512	L	71.8	Confident	71.2	Confident	89 Å²	89	77.2 Å²	77.2	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-62.6	-44	179.1	-168	69.5	0	0	0	112.5	G508 S509 V510 S516	G508-L512 PolarHBondContact O-N 3.15Å; S509-L512 WeakPolarHBondContact O-CB 3.41Å; S509-L512 PolarHBondContact O-N 2.83Å; S509-L512 VanDerWaalsContact O-N 3.14Å; V510-L512 VanDerWaalsContact C-N 3.26Å; V510-L512 PolarHBondContact O-N 3.28Å; L512-S516 WeakPolarHBondContact O-CB 3.42Å; L512-S516 PolarHBondContact O-N 3.32Å; L512-S516 PolarHBondContact O-OG 3.46Å
513	Y	70.7	Confident	71.4	Confident	104 Å²	104	76.8 Å²	76.8	41%	0.408	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-39.3	176.4	-77.9	-75.8	0	0	0	113.2	N463 S509 V510 S516 Q517	N463-Y513 HydrophobicContact CB-CD1 3.99Å; N463-Y513 HydrophobicContact CB-CE1 3.84Å; N463-Y513 HydrophobicContact CB-CE2 4.4Å; N463-Y513 HydrophobicContact CB-CG 4.34Å; N463-Y513 WeakPolarHBondContact ND2-CD2 3.19Å; N463-Y513 WeakPolarHBondContact ND2-CE2 3.48Å; S509-Y513 VanDerWaalsContact O-CD2 3.31Å; S509-Y513 WeakPolarHBondContact O-CD2 3.18Å; S509-Y513 PolarHBondContact O-N 2.81Å; V510-Y513 PolarHBondContact O-N 2.71Å; Y513-S516 PolarHBondContact O-OG 3.47Å; Y513-S516 VanDerWaalsContact O-OG 3.1Å; Y513-Q517 PolarHBondContact O-NE2 2.89Å
514	G	69.8	Low	71.9	Confident	20 Å²	20	71.1 Å²	71.1	21%	0.206	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-49	174.6	0	0	0	0	0	111.9	V510 A511 Q517	V510-G514 PolarHBondContact O-N 3.47Å; V510-G514 VanDerWaalsContact O-N 3.15Å; A511-G514 PolarHBondContact O-N 2.9Å; G514-Q517 PolarHBondContact O-N 3.46Å
515	L	70.5	Confident	72.6	Confident	100 Å²	100	65.2 Å²	65.2	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-40.3	-179.3	-71.1	169	0	0	0	111.8	A511 Q517 M518 I519	A511-L515 HydrophobicContact CB-CD1 4.26Å; A511-L515 WeakPolarHBondContact O-CB 3.46Å; A511-L515 WeakPolarHBondContact O-CD1 3.4Å; A511-L515 WeakPolarHBondContact O-CG 3.16Å; A511-L515 PolarHBondContact O-N 3.31Å; L515-Q517 PolarHBondContact O-N 2.93Å; L515-M518 PolarHBondContact O-N 2.96Å; L515-I519 WeakPolarHBondContact O-CG1 3.49Å; L515-I519 PolarHBondContact O-N 3.35Å
516	S	74.7	Confident	73.7	Confident	19 Å²	19	59.7 Å²	59.7	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-31.2	-177.3	70.7	0	0	0	0	112.5	L512 Y513 R522	L512-S516 WeakPolarHBondContact O-CB 3.42Å; L512-S516 PolarHBondContact O-N 3.32Å; L512-S516 PolarHBondContact O-OG 3.46Å; Y513-S516 PolarHBondContact O-OG 3.47Å; Y513-S516 VanDerWaalsContact O-OG 3.1Å; S516-R522 PolarHBondContact O-NH1 3.05Å
517	Q	74.2	Confident	74.7	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-72	-30.1	174.5	-73.9	176.1	94.1	0	0	113.2	Y444 Q465 F466 Y513 G514 L515 I519	Y444-Q517 VanDerWaalsContact CE2-NE2 3.29Å; Y444-Q517 PolarHBondContact OH-NE2 3.3Å; Q465-Q517 HydrophobicContact CB-CG 3.67Å; F466-Q517 HydrophobicContact CE1-CB 4.04Å; F466-Q517 HydrophobicContact CE1-CG 4.08Å; F466-Q517 HydrophobicContact CE2-CG 4.26Å; F466-Q517 HydrophobicContact CZ-CB 4.05Å; F466-Q517 HydrophobicContact CZ-CG 3.9Å; Y513-Q517 PolarHBondContact O-NE2 2.89Å; G514-Q517 PolarHBondContact O-N 3.46Å; L515-Q517 PolarHBondContact O-N 2.93Å; Q517-I519 VanDerWaalsContact C-N 3.35Å
518	M	72.9	Confident	75.8	Confident	147 Å²	147	53.8 Å²	53.8	72%	0.724	30%	0.303	S	S	*	.	H	α-helix	trans	-81.3	-13.6	-178.4	-62.4	-178.7	69.6	0	0	113.2	L515 P520	L515-M518 PolarHBondContact O-N 2.96Å; M518-P520 WeakPolarHBondContact O-CD 3.47Å
519	I	74.7	Confident	76.9	Confident	42 Å²	42	53.9 Å²	53.9	22%	0.215	30%	0.299	C	S	.	.			trans	-74	112.5	179.8	-62.8	170	0	0	0	109.3	L515 Q517 D521 I524 V525	L515-I519 WeakPolarHBondContact O-CG1 3.49Å; L515-I519 PolarHBondContact O-N 3.35Å; Q517-I519 VanDerWaalsContact C-N 3.35Å; I519-D521 VanDerWaalsContact CG2-O 3.23Å; I519-D521 WeakPolarHBondContact CG2-O 3.16Å; I519-I524 HydrophobicContact CD1-CG2 4.4Å; I519-I524 HydrophobicContact CG2-CB 4.21Å; I519-I524 HydrophobicContact CG2-CD1 4.17Å; I519-V525 HydrophobicContact CB-CG2 4.41Å; I519-V525 HydrophobicContact CD1-CG2 4.21Å
520	P	71.9	Confident	78.2	Confident	66 Å²	66	55.7 Å²	55.7	43%	0.429	30%	0.3	S	S	.	.	S	Bend	trans	-69.8	-37.3	-179.4	-18.7	34.2	0	0	0	112	F57 M518 R522	F57-P520 HydrophobicContact CD2-CB 4.03Å; F57-P520 HydrophobicContact CD2-CG 4.24Å; F57-P520 HydrophobicContact CE2-CB 4.13Å; F57-P520 HydrophobicContact CE2-CG 3.86Å; F57-P520 HydrophobicContact CZ-CG 4.37Å; M518-P520 WeakPolarHBondContact O-CD 3.47Å; P520-R522 PolarHBondContact O-N 2.89Å; P520-R522 VanDerWaalsContact O-N 3.16Å
521	D	75.5	Confident	79.4	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.048	30%	0.304	C	S	.	.			trans	-81.6	91.6	174.7	-176.3	4.6	0	0	0	111	F57 I519 S523 I524	F57-D521 HydrophobicContact CB-CB 4.24Å; I519-D521 VanDerWaalsContact CG2-O 3.23Å; I519-D521 WeakPolarHBondContact CG2-O 3.16Å; D521-S523 PolarHBondContact O-N 3.42Å; D521-S523 VanDerWaalsContact OD1-CB 3.23Å; D521-S523 WeakPolarHBondContact OD1-CB 3.49Å; D521-S523 PolarHBondContact OD1-N 3.04Å; D521-S523 PolarHBondContact OD1-OG 3.41Å; D521-S523 PolarHBondContact OD2-OG 3.48Å; D521-I524 HydrophobicContact CB-CD1 4.28Å; D521-I524 HydrophobicContact CB-CG1 4.49Å; D521-I524 PolarHBondContact O-N 3.36Å; D521-I524 VanDerWaalsContact O-N 3.16Å
522	R	83.7	Confident	80.5	Confident	90 Å²	90	60.5 Å²	60.5	34%	0.34	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-17.1	178.4	-58.6	-55.9	-61.5	178.4	-2.1	113.7	S516 P520 I524 V525 T526	S516-R522 PolarHBondContact O-NH1 3.05Å; P520-R522 PolarHBondContact O-N 2.89Å; P520-R522 VanDerWaalsContact O-N 3.16Å; R522-I524 PolarHBondContact O-N 3.25Å; R522-V525 WeakPolarHBondContact O-CB 3.49Å; R522-V525 PolarHBondContact O-N 3.27Å; R522-V525 VanDerWaalsContact O-N 3.1Å; R522-T526 PolarHBondContact O-N 3.29Å; R522-T526 VanDerWaalsContact O-N 3.09Å; R522-T526 PolarHBondContact O-OG1 2.83Å
523	S	82.4	Confident	81.6	Confident	40 Å²	40	60.7 Å²	60.7	28%	0.28	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-29.9	176.2	72.5	0	0	0	0	112.8	R61 D521 V525 T526 E527	R61-S523 PolarHBondContact NH1-OG 3.01Å; D521-S523 PolarHBondContact O-N 3.42Å; D521-S523 VanDerWaalsContact OD1-CB 3.23Å; D521-S523 WeakPolarHBondContact OD1-CB 3.49Å; D521-S523 PolarHBondContact OD1-N 3.04Å; D521-S523 PolarHBondContact OD1-OG 3.41Å; D521-S523 PolarHBondContact OD2-OG 3.48Å; S523-V525 VanDerWaalsContact C-N 3.34Å; S523-T526 WeakPolarHBondContact O-CB 3.23Å; S523-T526 PolarHBondContact O-N 3.43Å; S523-E527 PolarHBondContact O-N 2.63Å
524	I	83.5	Confident	82.7	Confident	33 Å²	33	60.3 Å²	60.3	17%	0.169	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-40.3	174.1	-61.8	173.2	0	0	0	110.5	I70 I74 I519 D521 R522 T526 E527 L528	I70-I524 HydrophobicContact CG2-CD1 4.47Å; I74-I524 HydrophobicContact CD1-CG2 4.34Å; I74-I524 HydrophobicContact CG1-CG2 4.46Å; I519-I524 HydrophobicContact CD1-CG2 4.4Å; I519-I524 HydrophobicContact CG2-CB 4.21Å; I519-I524 HydrophobicContact CG2-CD1 4.17Å; D521-I524 HydrophobicContact CB-CD1 4.28Å; D521-I524 HydrophobicContact CB-CG1 4.49Å; D521-I524 PolarHBondContact O-N 3.36Å; D521-I524 VanDerWaalsContact O-N 3.16Å; R522-I524 PolarHBondContact O-N 3.25Å; I524-T526 VanDerWaalsContact C-N 3.32Å; I524-E527 PolarHBondContact O-N 3.2Å; I524-L528 HydrophobicContact CG2-CD1 4.37Å; I524-L528 WeakPolarHBondContact O-CG 3.37Å; I524-L528 PolarHBondContact O-N 2.83Å
525	V	85.9	Confident	83.7	Confident	33 Å²	33	59.4 Å²	59.4	20%	0.2	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-38.7	176.7	-177.4	0	0	0	0	110.5	I519 R522 S523 L528 A529	I519-V525 HydrophobicContact CB-CG2 4.41Å; I519-V525 HydrophobicContact CD1-CG2 4.21Å; R522-V525 WeakPolarHBondContact O-CB 3.49Å; R522-V525 PolarHBondContact O-N 3.27Å; R522-V525 VanDerWaalsContact O-N 3.1Å; S523-V525 VanDerWaalsContact C-N 3.34Å; V525-L528 PolarHBondContact O-N 3.2Å; V525-A529 WeakPolarHBondContact O-CB 3.35Å; V525-A529 PolarHBondContact O-N 3.16Å
526	T	88.6	Confident	84.7	Confident	71 Å²	71	61 Å²	61	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-45.8	172.7	-59	0	0	0	0	111.8	R522 S523 I524 A529 H530	R522-T526 PolarHBondContact O-N 3.29Å; R522-T526 VanDerWaalsContact O-N 3.09Å; R522-T526 PolarHBondContact O-OG1 2.83Å; S523-T526 WeakPolarHBondContact O-CB 3.23Å; S523-T526 PolarHBondContact O-N 3.43Å; I524-T526 VanDerWaalsContact C-N 3.32Å; T526-A529 WeakPolarHBondContact O-CB 3.3Å; T526-A529 PolarHBondContact O-N 3.08Å; T526-H530 PolarHBondContact O-CD2 2.78Å; T526-H530 PolarHBondContact O-N 3.49Å
527	E	88.4	Confident	85.6	Confident	55 Å²	55	69 Å²	69	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-42.4	178.2	-76.4	169.4	-141.8	0	0	112.5	R61 I74 S523 I524 A529 H530 C531	R61-E527 IonicContact CZ-OE1 2.78Å; R61-E527 IonicContact CZ-OE2 3.15Å; R61-E527 IonicContact NH1-OE1 2.61Å; R61-E527 PolarHBondContact NH1-OE1 2.92Å; R61-E527 IonicContact NH2-OE1 2.74Å; R61-E527 PolarHBondContact NH2-OE1 3.09Å; R61-E527 IonicContact NH2-OE2 2.68Å; R61-E527 PolarHBondContact NH2-OE2 2.5Å; I74-E527 HydrophobicContact CD1-CB 4.28Å; I74-E527 WeakPolarHBondContact CD1-OE2 3.33Å; S523-E527 PolarHBondContact O-N 2.63Å; I524-E527 PolarHBondContact O-N 3.2Å; E527-A529 VanDerWaalsContact C-N 3.3Å; E527-A529 PolarHBondContact O-N 2.96Å; E527-H530 WeakPolarHBondContact O-CB 3.31Å; E527-H530 PolarHBondContact O-N 3.25Å; E527-H530 VanDerWaalsContact O-N 3.17Å; E527-C531 PolarHBondContact O-N 2.61Å; E527-C531 PolarHBondContact O-SG 2.98Å; E527-C531 VanDerWaalsContact O-SG 3.32Å
528	L	87.9	Confident	86.4	Confident	31 Å²	31	71 Å²	71	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-36.4	174.3	-68.1	174	0	0	0	112.4	I74 A77 I81 I524 V525 H530 C531 Y532	I74-L528 HydrophobicContact CG2-CD2 4.41Å; A77-L528 HydrophobicContact CB-CD2 3.59Å; I81-L528 HydrophobicContact CD1-CD2 4.33Å; I524-L528 HydrophobicContact CG2-CD1 4.37Å; I524-L528 WeakPolarHBondContact O-CG 3.37Å; I524-L528 PolarHBondContact O-N 2.83Å; V525-L528 PolarHBondContact O-N 3.2Å; L528-H530 VanDerWaalsContact C-N 3.34Å; L528-C531 PolarHBondContact O-N 3.2Å; L528-Y532 PolarHBondContact O-N 2.96Å
529	A	89.3	Confident	87	Confident	49 Å²	49	67.5 Å²	67.5	41%	0.405	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-37.6	173.8	0	0	0	0	0	111.6	V525 T526 E527 Y532 L533	V525-A529 WeakPolarHBondContact O-CB 3.35Å; V525-A529 PolarHBondContact O-N 3.16Å; T526-A529 WeakPolarHBondContact O-CB 3.3Å; T526-A529 PolarHBondContact O-N 3.08Å; E527-A529 VanDerWaalsContact C-N 3.3Å; E527-A529 PolarHBondContact O-N 2.96Å; A529-Y532 PolarHBondContact O-N 3.17Å; A529-L533 WeakPolarHBondContact O-CG 3.49Å; A529-L533 PolarHBondContact O-N 3.43Å; A529-L533 VanDerWaalsContact O-N 3.08Å
530	H	92.5	Very high	87.3	Confident	103 Å²	103	66.4 Å²	66.4	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-46.5	171.7	-63.7	169.7	0	0	0	111.3	T526 E527 L528 Y532 L533 D534	T526-H530 PolarHBondContact O-CD2 2.78Å; T526-H530 PolarHBondContact O-N 3.49Å; E527-H530 WeakPolarHBondContact O-CB 3.31Å; E527-H530 PolarHBondContact O-N 3.25Å; E527-H530 VanDerWaalsContact O-N 3.17Å; L528-H530 VanDerWaalsContact C-N 3.34Å; H530-Y532 VanDerWaalsContact C-N 3.25Å; H530-Y532 PolarHBondContact O-N 3.42Å; H530-L533 CarbonylContact O-C 3.56Å; H530-L533 WeakPolarHBondContact O-CA 3.32Å; H530-L533 WeakPolarHBondContact O-CB 3.46Å; H530-L533 PolarHBondContact O-N 2.99Å; H530-D534 PolarHBondContact O-N 3.28Å
531	C	91.5	Very high	87.3	Confident	20 Å²	20	70.2 Å²	70.2	14%	0.135	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-36.2	176.3	-61.7	0	0	0	0	113	E527 L528 D534 A535	E527-C531 PolarHBondContact O-N 2.61Å; E527-C531 PolarHBondContact O-SG 2.98Å; E527-C531 VanDerWaalsContact O-SG 3.32Å; L528-C531 PolarHBondContact O-N 3.2Å; C531-D534 PolarHBondContact O-N 3.38Å; C531-A535 WeakPolarHBondContact O-CB 3.46Å; C531-A535 PolarHBondContact O-N 3.16Å
532	Y	90.6	Very high	86.6	Confident	117 Å²	117	76.7 Å²	76.7	46%	0.459	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-40.1	173	178.5	-88.2	0	0	0	112.4	I81 F85 L528 A529 H530 Y536	I81-Y532 HydrophobicContact CG2-CD2 3.94Å; I81-Y532 HydrophobicContact CG2-CG 4.46Å; F85-Y532 HydrophobicContact CD2-CD2 4.47Å; F85-Y532 AromaticContact CD2-CE2 3.86Å; F85-Y532 HydrophobicContact CD2-CE2 3.86Å; F85-Y532 HydrophobicContact CE2-CE1 4.48Å; F85-Y532 HydrophobicContact CE2-CE2 4.09Å; F85-Y532 AromaticContact CE2-CZ 3.85Å; L528-Y532 PolarHBondContact O-N 2.96Å; A529-Y532 PolarHBondContact O-N 3.17Å; H530-Y532 VanDerWaalsContact C-N 3.25Å; H530-Y532 PolarHBondContact O-N 3.42Å; Y532-Y536 PolarHBondContact O-N 3.21Å; Y532-Y536 VanDerWaalsContact O-N 3.12Å
533	L	93.9	Very high	86.7	Confident	92 Å²	92	76 Å²	76	48%	0.482	39%	0.385	S	S	.	.	H	α-helix	trans	-70.8	-34.9	176.5	-67.2	173	0	0	0	112.2	A529 H530 Y536 Y537	A529-L533 WeakPolarHBondContact O-CG 3.49Å; A529-L533 PolarHBondContact O-N 3.43Å; A529-L533 VanDerWaalsContact O-N 3.08Å; H530-L533 CarbonylContact O-C 3.56Å; H530-L533 WeakPolarHBondContact O-CA 3.32Å; H530-L533 WeakPolarHBondContact O-CB 3.46Å; H530-L533 PolarHBondContact O-N 2.99Å; L533-Y536 WeakPolarHBondContact O-CB 3.32Å; L533-Y536 PolarHBondContact O-N 3.44Å; L533-Y537 WeakPolarHBondContact O-CD2 3.46Å
534	D	93.3	Very high	86.9	Confident	96 Å²	96	77.9 Å²	77.9	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-50.3	172.9	-65.5	-29.8	0	0	0	110	H530 C531 Y536 Y537 D538	H530-D534 PolarHBondContact O-N 3.28Å; C531-D534 PolarHBondContact O-N 3.38Å; D534-Y536 PolarHBondContact O-N 2.98Å; D534-Y537 PolarHBondContact O-N 2.95Å; D534-D538 VanDerWaalsContact O-CG 3.27Å; D534-D538 PolarHBondContact O-N 3.06Å
535	A	92.1	Very high	87.1	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.008	40%	0.403	C	S	.	.	H	α-helix	trans	-58.4	-24.6	175.6	0	0	0	0	0	113.6	I81 H82 F85 H86 C531	I81-A535 HydrophobicContact CG2-CB 4.34Å; H82-A535 HydrophobicContact CB-CB 4.23Å; F85-A535 HydrophobicContact CB-CB 4.36Å; F85-A535 WeakPolarHBondContact CD1-O 3.44Å; F85-A535 HydrophobicContact CG-CB 4.45Å; H86-A535 PolarHBondContact CE1-O 2.94Å; H86-A535 PolarHBondContact NE2-O 3.2Å; C531-A535 WeakPolarHBondContact O-CB 3.46Å; C531-A535 PolarHBondContact O-N 3.16Å
536	Y	90.9	Very high	87.2	Confident	135 Å²	135	83.2 Å²	83.2	53%	0.529	42%	0.415	S	S	.	.	H	α-helix	trans	-67.8	-36.6	174.8	179.3	-81.7	0	0	0	112.6	F85 Y532 L533 D534	F85-Y536 HydrophobicContact CE1-CD2 4.44Å; F85-Y536 HydrophobicContact CE2-CD2 4.09Å; F85-Y536 AromaticContact CZ-CD2 3.49Å; F85-Y536 HydrophobicContact CZ-CD2 3.49Å; F85-Y536 VanDerWaalsContact CZ-CD2 3.49Å; F85-Y536 HydrophobicContact CZ-CE2 4.33Å; F85-Y536 HydrophobicContact CZ-CG 4.06Å; Y532-Y536 PolarHBondContact O-N 3.21Å; Y532-Y536 VanDerWaalsContact O-N 3.12Å; L533-Y536 WeakPolarHBondContact O-CB 3.32Å; L533-Y536 PolarHBondContact O-N 3.44Å; D534-Y536 PolarHBondContact O-N 2.98Å
537	Y	93.1	Very high	87.1	Confident	186 Å²	186	83.9 Å²	83.9	73%	0.729	41%	0.413	S	S	*	.	H	α-helix	trans	-97.1	-15.8	-178.8	-70.2	-75.2	0	0	0	113.6	L533 D534	L533-Y537 WeakPolarHBondContact O-CD2 3.46Å; D534-Y537 PolarHBondContact O-N 2.95Å
538	D	91	Very high	87	Confident	76 Å²	76	85.9 Å²	85.9	41%	0.406	42%	0.424	S	S	.	.			trans	-65.6	147.7	177.3	-76	-19.7	0	0	0	112.2	H82 H86 D534	H82-D538 IonicContact CD2-OD2 2.79Å; H82-D538 IonicContact NE2-OD2 3.71Å; H86-D538 PolarHBondContact CE1-O 3.03Å; D534-D538 VanDerWaalsContact O-CG 3.27Å; D534-D538 PolarHBondContact O-N 3.06Å
539	I	87.1	Confident	87	Confident	73 Å²	73	89.8 Å²	89.8	37%	0.374	44%	0.442	S	S	.	.			trans	-120	116.7	174.9	-64.2	174.6	0	0	0	107.7	F94 K96	F94-I539 HydrophobicContact CB-CG2 3.32Å; F94-I539 HydrophobicContact CD1-CG1 4.28Å; F94-I539 HydrophobicContact CD1-CG2 4.11Å; F94-I539 HydrophobicContact CD2-CG2 3.94Å; F94-I539 HydrophobicContact CG-CG2 3.55Å; K96-I539 HydrophobicContact CG-CG2 4.42Å
540	P	81	Confident	86.8	Confident	19 Å²	19	92.9 Å²	92.9	12%	0.123	45%	0.445	C	S	.	.			trans	-55	144.5	176.9	-26.1	34	0	0	0	112.5	H86 N542	H86-P540 HydrophobicContact CB-CG 3.85Å; P540-N542 PolarHBondContact O-N 3.12Å; P540-N542 VanDerWaalsContact O-N 3.12Å
541	N	71.4	Confident	86.3	Confident	146 Å²	146	92.1 Å²	92.1	78%	0.781	44%	0.443	S	S	*	.			trans	-78.1	14.8	-176.5	-84.8	-26.2	0	0	0	115.6	K96	K96-N541 PolarHBondContact NZ-OD1 3.19Å
542	N	60	Low	85.9	Confident	144 Å²	144	98.6 Å²	98.6	77%	0.77	47%	0.471	S	S	*	.			trans	-30.8	0	-177	-75.6	-6.4	0	0	0	115.3	S90 I92 P540	S90-N542 PolarHBondContact O-ND2 3.39Å; I92-N542 PolarHBondContact O-ND2 3.13Å; P540-N542 PolarHBondContact O-N 3.12Å; P540-N542 VanDerWaalsContact O-N 3.12Å

Retrieved 542 of 542 residues in 442.4 ms (Link to these results)

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