A0A087YKQ1_POEFO Loading...

Beta-glucuronidase

Plays an important role in the degradation of dermatan and keratan sulfates.

AlphaFold DB , UniProt , Accession A0A087YKQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 594 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	34.1	Very low	26.1	Very low	236 Å²	236	155.5 Å²	155.5	100%	1.163	80%	0.801	S	S	*	*				0	92	0	-77.6	177.2	166.3	0	0	106.5
2	L	26.2	Very low	26.4	Very low	153 Å²	153	155.3 Å²	155.3	80%	0.801	80%	0.803	S	S	*	*				47.3	119.1	87.1	-105.4	91.9	0	0	0	110.7
3	R	23.7	Very low	26.4	Very low	209 Å²	209	150.3 Å²	150.3	79%	0.789	80%	0.799	S	S	*	*			cis	-156	144.9	30.6	-82.1	175.7	169.2	173.6	-3.3	112.4
4	V	28.6	Very low	26.9	Very low	115 Å²	115	144.8 Å²	144.8	70%	0.697	77%	0.773	S	S	*	*			trans	-79.8	141.9	152.8	162.8	0	0	0	0	108.7
5	L	24.8	Very low	27.3	Very low	138 Å²	138	145.8 Å²	145.8	72%	0.723	78%	0.777	S	S	*	*			trans	-164.4	92.2	163.5	-99.5	139.3	0	0	0	107.4
6	W	24.4	Very low	28.3	Very low	182 Å²	182	144.7 Å²	144.7	69%	0.689	77%	0.771	S	S	*	*				53.9	88.1	94.4	-71.8	67	0	0	0	113.5	F8	W6-F8 HydrophobicContact CB-CD2 4.32Å; W6-F8 HydrophobicContact CB-CE2 4.43Å; W6-F8 HydrophobicContact CD2-CE2 4.13Å; W6-F8 AromaticContact CE3-CD2 3.89Å; W6-F8 HydrophobicContact CE3-CD2 3.89Å; W6-F8 HydrophobicContact CE3-CE1 4.24Å; W6-F8 AromaticContact CE3-CE2 3.25Å; W6-F8 HydrophobicContact CE3-CE2 3.25Å; W6-F8 AromaticContact CE3-CZ 3.46Å; W6-F8 HydrophobicContact CE3-CZ 3.46Å; W6-F8 VanDerWaalsContact CE3-CZ 3.46Å; W6-F8 HydrophobicContact CZ3-CE1 4.17Å; W6-F8 AromaticContact CZ3-CE2 3.83Å; W6-F8 HydrophobicContact CZ3-CE2 3.83Å; W6-F8 AromaticContact CZ3-CZ 3.5Å; W6-F8 HydrophobicContact CZ3-CZ 3.5Å
7	L	24.1	Very low	30.2	Very low	182 Å²	182	140.4 Å²	140.4	95%	0.953	75%	0.748	S	S	*	*			trans	-81.5	103.4	153.9	-96.7	128.7	0	0	0	107.1
8	F	24.8	Very low	32.2	Very low	162 Å²	162	140.5 Å²	140.5	71%	0.711	75%	0.748	S	S	*	*			trans	-74.2	141	171.3	-97.8	-85.5	0	0	0	110.5	W6	W6-F8 HydrophobicContact CB-CD2 4.32Å; W6-F8 HydrophobicContact CB-CE2 4.43Å; W6-F8 HydrophobicContact CD2-CE2 4.13Å; W6-F8 AromaticContact CE3-CD2 3.89Å; W6-F8 HydrophobicContact CE3-CD2 3.89Å; W6-F8 HydrophobicContact CE3-CE1 4.24Å; W6-F8 AromaticContact CE3-CE2 3.25Å; W6-F8 HydrophobicContact CE3-CE2 3.25Å; W6-F8 AromaticContact CE3-CZ 3.46Å; W6-F8 HydrophobicContact CE3-CZ 3.46Å; W6-F8 VanDerWaalsContact CE3-CZ 3.46Å; W6-F8 HydrophobicContact CZ3-CE1 4.17Å; W6-F8 AromaticContact CZ3-CE2 3.83Å; W6-F8 HydrophobicContact CZ3-CE2 3.83Å; W6-F8 AromaticContact CZ3-CZ 3.5Å; W6-F8 HydrophobicContact CZ3-CZ 3.5Å
9	A	24.5	Very low	35	Very low	77 Å²	77	136.4 Å²	136.4	64%	0.636	73%	0.729	S	S	*	*			trans	-53.5	130.5	171.5	0	0	0	0	0	112.1	L11	A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 HydrophobicContact CB-CD1 4.24Å; A9-L11 PolarHBondContact O-N 3.26Å
10	A	24.1	Very low	37.9	Very low	103 Å²	103	129.8 Å²	129.8	85%	0.851	69%	0.694	S	S	*	*			trans	-76	95.4	154.8	0	0	0	0	0	106.3
11	L	27.4	Very low	40.7	Very low	153 Å²	153	124.2 Å²	124.2	80%	0.801	67%	0.665	S	S	*	*			trans	-64.6	135.2	167.1	-100.2	97.4	0	0	0	108.9	A9 A13	A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 HydrophobicContact CB-CD1 4.24Å; A9-L11 PolarHBondContact O-N 3.26Å; L11-A13 PolarHBondContact O-N 3.43Å; L11-A13 VanDerWaalsContact O-N 3.08Å
12	D	30.5	Very low	43.8	Very low	154 Å²	154	114 Å²	114	82%	0.824	62%	0.615	S	S	*	*			trans	-44.7	106.9	165.2	-63.7	-52.9	0	0	0	111.1	V14	D12-V14 VanDerWaalsContact C-N 3.28Å; D12-V14 PolarHBondContact O-N 3.31Å
13	A	26.1	Very low	47.2	Very low	90 Å²	90	108.8 Å²	108.8	74%	0.744	59%	0.586	S	S	*	*			trans	-85.4	81.9	157.9	0	0	0	0	0	106.8	L11 L15	L11-A13 PolarHBondContact O-N 3.43Å; L11-A13 VanDerWaalsContact O-N 3.08Å; A13-L15 PolarHBondContact O-N 3.47Å
14	V	33.9	Very low	50.8	Low	73 Å²	73	99.1 Å²	99.1	44%	0.442	55%	0.55	S	S	.	.			trans	-57.7	109.8	155.4	175.1	0	0	0	0	105	D12 L16	D12-V14 VanDerWaalsContact C-N 3.28Å; D12-V14 PolarHBondContact O-N 3.31Å; V14-L16 PolarHBondContact O-N 3.08Å
15	L	32.4	Very low	54.1	Low	160 Å²	160	96.7 Å²	96.7	84%	0.838	53%	0.528	S	S	*	.			trans	-65.7	84.9	170.4	-83.7	156.6	0	0	0	106.7	A13 L17	A13-L15 PolarHBondContact O-N 3.47Å; L15-L17 PolarHBondContact O-N 3.12Å
16	L	43.3	Very low	57.6	Low	128 Å²	128	97.2 Å²	97.2	67%	0.67	53%	0.527	S	S	*	.			trans	-53.8	124	165.1	-76.5	164.9	0	0	0	106.6	V14 D18	V14-L16 PolarHBondContact O-N 3.08Å; L16-D18 PolarHBondContact O-N 3.42Å
17	L	60.4	Low	61.1	Low	72 Å²	72	90.4 Å²	90.4	38%	0.377	51%	0.507	S	S	.	.			trans	-60.1	110.6	175.8	-69.2	152.3	0	0	0	107.9	L15 T19 D424 E425	L15-L17 PolarHBondContact O-N 3.12Å; L17-T19 PolarHBondContact O-N 3.37Å; L17-D424 HydrophobicContact CD1-CB 3.87Å; L17-E425 HydrophobicContact CD1-CB 4.49Å; L17-E425 HydrophobicContact CD1-CG 3.58Å
18	D	66.7	Low	64.5	Low	142 Å²	142	86.3 Å²	86.3	76%	0.759	49%	0.494	S	S	*	.	S	Bend	trans	-72.9	2.5	-170.9	-163.4	29.2	0	0	0	113	L16 K244	L16-D18 PolarHBondContact O-N 3.42Å; D18-K244 WeakPolarHBondContact O-CE 3.38Å; D18-K244 PolarHBondContact O-NZ 3.47Å
19	T	84.9	Confident	67.9	Low	62 Å²	62	79.5 Å²	79.5	38%	0.38	47%	0.466	S	S	.	.	S	Bend	trans	-127.3	144.7	-177.7	56.4	0	0	0	0	111.6	L17 R428	L17-T19 PolarHBondContact O-N 3.37Å; T19-R428 WeakPolarHBondContact O-CD 3.31Å; T19-R428 PolarHBondContact O-NH1 3.07Å
20	G	93.1	Very high	71.4	Confident	4 Å²	4	76.4 Å²	76.4	4%	0.041	44%	0.438	C	S	.	.			trans	-66.9	174.7	166.8	0	0	0	0	0	113.1	D222	G20-D222 WeakPolarHBondContact CA-O 3.48Å; G20-D222 PolarHBondContact N-OD1 2.9Å; G20-D222 PolarHBondContact N-OD2 3.15Å
21	M	97.4	Very high	75	Confident	14 Å²	14	75 Å²	75	7%	0.069	41%	0.413	C	S	.	.			trans	-145.7	38.1	179.2	-163.2	55.8	72.4	0	0	111.4	F23 R116 P142 E144 R428	M21-F23 PolarHBondContact O-N 3.43Å; M21-R116 PolarHBondContact SD-NH1 2.95Å; M21-P142 HydrophobicContact CG-CG 3.68Å; M21-P142 HydrophobicContact SD-CB 4.31Å; M21-P142 HydrophobicContact SD-CG 4.1Å; M21-E144 HydrophobicContact CE-CG 4.33Å; M21-E144 HydrophobicContact SD-CG 4.35Å; M21-R428 HydrophobicContact CB-CG 4.37Å
22	L	98.5	Very high	78.3	Confident	21 Å²	21	70.2 Å²	70.2	11%	0.11	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-57.4	137.3	-179.9	-69.4	176.5	0	0	0	111.3	V221 I224 Y313	L22-V221 HydrophobicContact CD1-CG1 4.09Å; L22-I224 HydrophobicContact CD1-CD1 4.32Å; L22-I224 HydrophobicContact CD1-CG1 4.11Å; L22-I224 HydrophobicContact CD2-CB 4.34Å; L22-Y313 HydrophobicContact CB-CE2 4.15Å; L22-Y313 HydrophobicContact CD1-CD1 4.29Å; L22-Y313 HydrophobicContact CD1-CE1 4.06Å; L22-Y313 HydrophobicContact CD1-CE2 4.36Å; L22-Y313 HydrophobicContact CD2-CE1 4.26Å
23	F	98.6	Very high	81.6	Confident	44 Å²	44	66.3 Å²	66.3	19%	0.193	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-56.4	127.9	174.7	-173	-98	0	0	0	110.6	M21 R25 Y313 E383 E384 Q387	M21-F23 PolarHBondContact O-N 3.43Å; F23-R25 HydrophobicContact CD1-CG 4.06Å; F23-R25 PolarHBondContact O-N 3.49Å; F23-Y313 WeakPolarHBondContact O-CE2 3.45Å; F23-Y313 PolarHBondContact O-OH 2.81Å; F23-E383 HydrophobicContact CD2-CB 3.72Å; F23-E383 HydrophobicContact CD2-CG 4.28Å; F23-E383 HydrophobicContact CE2-CB 3.95Å; F23-E384 HydrophobicContact CZ-CG 4.38Å; F23-Q387 VanDerWaalsContact CD1-NE2 3.34Å; F23-Q387 VanDerWaalsContact CG-NE2 3.33Å
24	P	98.4	Very high	84.9	Confident	6 Å²	6	68 Å²	68	4%	0.039	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-61.4	130	178.7	-23.8	34.2	0	0	0	111.7	L32 L212 Y214	P24-L32 HydrophobicContact CB-CD2 3.39Å; P24-L212 HydrophobicContact CB-CD1 3.99Å; P24-L212 HydrophobicContact CB-CD2 4.47Å; P24-L212 HydrophobicContact CG-CD1 3.95Å; P24-L212 HydrophobicContact CG-CD2 4.25Å; P24-Y214 HydrophobicContact CB-CD1 4.24Å; P24-Y214 HydrophobicContact CB-CG 4.29Å; P24-Y214 HydrophobicContact CG-CD1 4.02Å; P24-Y214 HydrophobicContact CG-CE1 4.25Å
25	R	97.3	Very high	88	Confident	64 Å²	64	64.6 Å²	64.6	24%	0.242	34%	0.336	C	S	.	.			trans	-133.5	137	-179.1	-69.2	-179.6	178.9	-78.3	-9	109.9	F23 R30 Y313 T314 Q387	F23-R25 HydrophobicContact CD1-CG 4.06Å; F23-R25 PolarHBondContact O-N 3.49Å; R25-R30 WeakPolarHBondContact O-CB 3.45Å; R25-Y313 HydrophobicContact CB-CE2 4.25Å; R25-Y313 HydrophobicContact CG-CE2 4.26Å; R25-T314 WeakPolarHBondContact CD-O 3.25Å; R25-Q387 VanDerWaalsContact NH2-CD 3.33Å; R25-Q387 VanDerWaalsContact NH2-OE1 3.17Å
26	E	98.1	Very high	91.1	Very high	149 Å²	149	58.9 Å²	58.9	70%	0.696	31%	0.306	S	S	*	.			trans	-63.5	138.1	166	-81	169	132.4	0	0	110.1	R30 L32	E26-R30 WeakPolarHBondContact CA-O 3.36Å; E26-L32 HydrophobicContact CB-CD1 4.47Å; E26-L32 HydrophobicContact CG-CB 4.07Å; E26-L32 HydrophobicContact CG-CD1 3.78Å; E26-L32 HydrophobicContact CG-CG 3.82Å
27	S	97.8	Very high	93.7	Very high	39 Å²	39	54.5 Å²	54.5	27%	0.273	29%	0.292	S	S	.	.			trans	-151.7	-177.1	172.5	80.2	0	0	0	0	109.4	S29 R30 V312	S27-S29 PolarHBondContact O-N 3.02Å; S27-S29 VanDerWaalsContact O-N 3.1Å; S27-S29 PolarHBondContact OG-N 3.48Å; S27-S29 VanDerWaalsContact OG-N 3.12Å; S27-S29 PolarHBondContact OG-OG 2.98Å; S27-S29 VanDerWaalsContact OG-OG 3.08Å; S27-R30 PolarHBondContact N-O 2.95Å; S27-R30 PolarHBondContact O-N 3.44Å; S27-R30 PolarHBondContact OG-N 2.88Å; S27-V312 WeakPolarHBondContact CB-O 3.25Å; S27-V312 PolarHBondContact OG-O 2.97Å
28	S	96.4	Very high	95.5	Very high	96 Å²	96	56.1 Å²	56.1	67%	0.671	30%	0.3	S	S	*	.	S	Bend	trans	-62.1	-13.9	172.6	54.3	0	0	0	0	113.9	V312	S28-V312 WeakPolarHBondContact OG-CG2 3.49Å
29	S	96.4	Very high	97	Very high	18 Å²	18	49.5 Å²	49.5	13%	0.126	27%	0.265	C	S	.	.	S	Bend	trans	-121.9	-5.6	-177.9	64.9	0	0	0	0	114.5	S27 E310 D311 V312	S27-S29 PolarHBondContact O-N 3.02Å; S27-S29 VanDerWaalsContact O-N 3.1Å; S27-S29 PolarHBondContact OG-N 3.48Å; S27-S29 VanDerWaalsContact OG-N 3.12Å; S27-S29 PolarHBondContact OG-OG 2.98Å; S27-S29 VanDerWaalsContact OG-OG 3.08Å; S29-E310 WeakPolarHBondContact CB-O 3.29Å; S29-D311 WeakPolarHBondContact OG-CA 3.33Å; S29-D311 PolarHBondContact OG-OD1 2.84Å; S29-V312 PolarHBondContact OG-N 2.9Å
30	R	98.4	Very high	97.7	Very high	13 Å²	13	47.7 Å²	47.7	5%	0.049	26%	0.256	C	S	.	.			trans	-130.4	127	-173.6	-59.7	-173.7	-179.5	-151.3	2.6	110	R25 E26 S27 T215 T216 V221 D311 Y313	R25-R30 WeakPolarHBondContact O-CB 3.45Å; E26-R30 WeakPolarHBondContact CA-O 3.36Å; S27-R30 PolarHBondContact N-O 2.95Å; S27-R30 PolarHBondContact O-N 3.44Å; S27-R30 PolarHBondContact OG-N 2.88Å; R30-T215 WeakPolarHBondContact CA-O 3.11Å; R30-T215 WeakPolarHBondContact CB-O 3.09Å; R30-T216 HydrophobicContact CG-CG2 4.17Å; R30-V221 PolarHBondContact NH2-O 3.47Å; R30-D311 IonicContact CZ-OD1 3.58Å; R30-D311 IonicContact CZ-OD2 2.68Å; R30-D311 IonicContact NE-OD1 2.87Å; R30-D311 PolarHBondContact NE-OD1 2.91Å; R30-D311 IonicContact NE-OD2 3.92Å; R30-D311 IonicContact NH2-OD1 2.94Å; R30-D311 IonicContact NH2-OD2 3.86Å; R30-D311 PolarHBondContact NH2-OD2 3.07Å; R30-Y313 VanDerWaalsContact NH1-CD2 3.34Å
31	E	98.4	Very high	98	Very high	72 Å²	72	47.7 Å²	47.7	34%	0.336	26%	0.255	S	S	.	.			trans	-113.2	145.8	178.4	-58.3	176.7	-156	0	0	109.8	R104 W105 Y214 T215	E31-R104 IonicContact OE1-NH1 3.54Å; E31-W105 HydrophobicContact CB-CZ2 3.53Å; E31-W105 PolarHBondContact OE2-NE1 2.77Å; E31-Y214 CarbonylContact O-C 3.55Å; E31-Y214 VanDerWaalsContact O-CA 3.26Å; E31-Y214 WeakPolarHBondContact O-CA 3.33Å; E31-T215 WeakPolarHBondContact CB-OG1 3.26Å; E31-T215 PolarHBondContact N-OG1 3.46Å; E31-T215 VanDerWaalsContact N-OG1 3.09Å; E31-T215 PolarHBondContact O-N 2.85Å
32	L	98.2	Very high	98	Very high	54 Å²	54	48.2 Å²	48.2	28%	0.283	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.3	178.2	-63.6	174.5	0	0	0	110.2	P24 E26 L212	P24-L32 HydrophobicContact CB-CD2 3.39Å; E26-L32 HydrophobicContact CB-CD1 4.47Å; E26-L32 HydrophobicContact CG-CB 4.07Å; E26-L32 HydrophobicContact CG-CD1 3.78Å; E26-L32 HydrophobicContact CG-CG 3.82Å; L32-L212 HydrophobicContact CD2-CD1 4.04Å
33	K	98	Very high	98.1	Very high	71 Å²	71	47.9 Å²	47.9	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	102.8	169.6	-177.1	179.2	177	65.9	0	109.5	L35 V99 T100 W105 L212 L213	K33-L35 HydrophobicContact CG-CD2 4.28Å; K33-V99 HydrophobicContact CD-CG1 4.2Å; K33-T100 VanDerWaalsContact CE-O 3.25Å; K33-T100 WeakPolarHBondContact CE-O 3.35Å; K33-W105 HydrophobicContact CB-CH2 3.8Å; K33-W105 HydrophobicContact CB-CZ3 4.36Å; K33-L212 WeakPolarHBondContact O-CA 3.39Å; K33-L213 HydrophobicContact CB-CB 4.44Å; K33-L213 PolarHBondContact N-O 3.24Å; K33-L213 PolarHBondContact O-N 2.89Å
34	E	97.3	Very high	98	Very high	127 Å²	127	45.8 Å²	45.8	59%	0.593	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.6	173.5	-66.8	-172.1	-175.3	0	0	111.7	N36	E34-N36 PolarHBondContact OE2-ND2 2.85Å
35	L	98.3	Very high	97.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.267	C	S	.	.			trans	-109.9	24.8	175.8	-50.8	-170.7	0	0	0	111.5	K33 W39 R97 V99 L115 I161 V211 L213	K33-L35 HydrophobicContact CG-CD2 4.28Å; L35-W39 HydrophobicContact CB-CZ2 4.1Å; L35-W39 PolarHBondContact O-NE1 3.26Å; L35-R97 VanDerWaalsContact O-CZ 3.27Å; L35-R97 PolarHBondContact O-NH1 3.5Å; L35-V99 HydrophobicContact CD1-CG2 4.02Å; L35-V99 HydrophobicContact CD2-CB 4.3Å; L35-V99 HydrophobicContact CD2-CG1 3.59Å; L35-V99 HydrophobicContact CD2-CG2 3.72Å; L35-V99 HydrophobicContact CG-CG2 4.4Å; L35-L115 HydrophobicContact CD1-CD1 4.23Å; L35-I161 HydrophobicContact CD1-CD1 3.4Å; L35-V211 WeakPolarHBondContact CA-O 3.29Å; L35-V211 HydrophobicContact CB-CB 4.25Å; L35-V211 HydrophobicContact CB-CG1 4.32Å; L35-V211 WeakPolarHBondContact CB-O 3.23Å; L35-V211 HydrophobicContact CD1-CG1 4.09Å; L35-V211 PolarHBondContact N-O 2.81Å; L35-L213 HydrophobicContact CD1-CD2 4.34Å; L35-L213 HydrophobicContact CD1-CG 4.01Å; L35-L213 HydrophobicContact CD2-CG 4.33Å; L35-L213 HydrophobicContact CG-CG 4.4Å
36	N	97.2	Very high	97.9	Very high	40 Å²	40	48.6 Å²	48.6	21%	0.214	26%	0.259	C	S	.	.			trans	-68.4	156.6	174.1	-63.8	-23.4	0	0	0	111.4	E34 V73 R97 P210	E34-N36 PolarHBondContact OE2-ND2 2.85Å; N36-V73 CarbonylContact C-O 3.55Å; N36-V73 VanDerWaalsContact CA-O 3.28Å; N36-V73 WeakPolarHBondContact CA-O 3.29Å; N36-R97 VanDerWaalsContact O-CZ 3.23Å; N36-R97 PolarHBondContact O-NH1 2.57Å; N36-R97 PolarHBondContact O-NH2 3.38Å; N36-P210 WeakPolarHBondContact OD1-CA 3.15Å
37	G	97.9	Very high	97.6	Very high	35 Å²	35	47.9 Å²	47.9	36%	0.361	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.1	-151.5	-176.9	0	0	0	0	0	112.2	V73	G37-V73 PolarHBondContact N-O 3.27Å; G37-V73 PolarHBondContact O-N 3.37Å
38	L	98.6	Very high	97.4	Very high	107 Å²	107	50.1 Å²	50.1	56%	0.56	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.7	-175.9	-56.4	179.5	0	0	0	112	D70 R97	L38-D70 HydrophobicContact CD1-CB 4.35Å; L38-D70 HydrophobicContact CD2-CB 4.36Å; L38-R97 PolarHBondContact O-NH1 2.91Å
39	W	98.9	Very high	97.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.4	171.6	-73.6	61	0	0	0	108.7	L35 F41 M71 V73 Y95 E96 R97 I161 I163 V211	L35-W39 HydrophobicContact CB-CZ2 4.1Å; L35-W39 PolarHBondContact O-NE1 3.26Å; W39-F41 PolarHBondContact O-N 2.97Å; W39-M71 PolarHBondContact N-O 3.3Å; W39-M71 PolarHBondContact O-N 3.14Å; W39-V73 HydrophobicContact CB-CG2 4.27Å; W39-V73 VanDerWaalsContact CD1-CG2 3.46Å; W39-V73 HydrophobicContact CD2-CG2 4.25Å; W39-V73 HydrophobicContact CG-CB 4.45Å; W39-V73 HydrophobicContact CG-CG2 3.77Å; W39-Y95 HydrophobicContact CB-CD1 3.98Å; W39-E96 VanDerWaalsContact CE3-C 3.48Å; W39-R97 HydrophobicContact CD2-CB 3.45Å; W39-R97 VanDerWaalsContact CD2-CB 3.45Å; W39-R97 HydrophobicContact CD2-CG 4.4Å; W39-R97 HydrophobicContact CE3-CB 3.52Å; W39-R97 HydrophobicContact CG-CB 4Å; W39-R97 HydrophobicContact CH2-CB 4.04Å; W39-R97 HydrophobicContact CZ2-CB 3.96Å; W39-R97 HydrophobicContact CZ3-CB 3.82Å; W39-I161 HydrophobicContact CH2-CB 4.35Å; W39-I161 HydrophobicContact CH2-CG2 3.91Å; W39-I161 HydrophobicContact CZ3-CB 4.47Å; W39-I161 HydrophobicContact CZ3-CG2 4.11Å; W39-I163 HydrophobicContact CH2-CD1 4Å; W39-I163 HydrophobicContact CZ3-CD1 4.07Å; W39-I163 HydrophobicContact CZ3-CG1 4.27Å; W39-V211 HydrophobicContact CH2-CG1 4.18Å; W39-V211 HydrophobicContact CZ2-CB 4.07Å; W39-V211 HydrophobicContact CZ2-CG1 4.08Å; W39-V211 HydrophobicContact CZ2-CG2 4.23Å
40	A	98.9	Very high	97.4	Very high	25 Å²	25	50.6 Å²	50.6	21%	0.207	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.4	169.3	0	0	0	0	0	108.8	V68 Y95 E96	A40-V68 HydrophobicContact CB-CB 4.3Å; A40-V68 HydrophobicContact CB-CG2 4.18Å; A40-Y95 CarbonylContact O-C 3.58Å; A40-Y95 WeakPolarHBondContact O-CA 3.42Å; A40-E96 HydrophobicContact CB-CB 4.43Å; A40-E96 PolarHBondContact N-O 2.91Å; A40-E96 PolarHBondContact O-N 2.72Å
41	F	98.9	Very high	97.4	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.7	-170.7	176.5	-87.9	0	0	0	112.5	W39 A43 V68 I69 M71 Y77 L86 V93 W94 Y95	W39-F41 PolarHBondContact O-N 2.97Å; F41-A43 HydrophobicContact CE1-CB 4.43Å; F41-V68 VanDerWaalsContact O-CA 3.31Å; F41-V68 WeakPolarHBondContact O-CA 3.34Å; F41-I69 HydrophobicContact CB-CG1 4.2Å; F41-I69 WeakPolarHBondContact CB-O 3.49Å; F41-I69 HydrophobicContact CD1-CD1 3.89Å; F41-I69 HydrophobicContact CD1-CG1 3.73Å; F41-I69 HydrophobicContact CE1-CD1 4.4Å; F41-I69 HydrophobicContact CG-CG1 4.43Å; F41-I69 PolarHBondContact N-O 2.97Å; F41-I69 PolarHBondContact O-N 2.92Å; F41-M71 HydrophobicContact CB-CB 3.48Å; F41-M71 VanDerWaalsContact CB-CB 3.48Å; F41-M71 HydrophobicContact CB-CG 4.38Å; F41-M71 HydrophobicContact CD1-CE 3.71Å; F41-M71 HydrophobicContact CD2-CB 3.97Å; F41-M71 HydrophobicContact CD2-CE 4.28Å; F41-M71 HydrophobicContact CD2-CG 3.97Å; F41-M71 HydrophobicContact CE1-CE 3.86Å; F41-M71 HydrophobicContact CE2-CE 4.39Å; F41-M71 HydrophobicContact CE2-CG 4.45Å; F41-M71 HydrophobicContact CG-CB 3.81Å; F41-M71 HydrophobicContact CG-CE 3.93Å; F41-M71 HydrophobicContact CG-CG 4.18Å; F41-M71 HydrophobicContact CZ-CE 4.19Å; F41-Y77 HydrophobicContact CE2-CD1 4.16Å; F41-Y77 HydrophobicContact CE2-CG 4.23Å; F41-Y77 HydrophobicContact CZ-CD1 4.16Å; F41-Y77 HydrophobicContact CZ-CD2 4.4Å; F41-Y77 AromaticContact CZ-CG 3.94Å; F41-Y77 HydrophobicContact CZ-CG 3.94Å; F41-L86 HydrophobicContact CE1-CD1 3.91Å; F41-L86 HydrophobicContact CE1-CD2 3.99Å; F41-L86 HydrophobicContact CZ-CD1 4.07Å; F41-V93 HydrophobicContact CE2-CB 3.59Å; F41-V93 HydrophobicContact CE2-CG1 4.14Å; F41-V93 HydrophobicContact CE2-CG2 3.87Å; F41-V93 HydrophobicContact CZ-CB 3.71Å; F41-V93 HydrophobicContact CZ-CG1 3.76Å; F41-V93 HydrophobicContact CZ-CG2 4.34Å; F41-W94 CarbonylContact C-O 3.49Å; F41-W94 VanDerWaalsContact CA-O 3.24Å; F41-W94 WeakPolarHBondContact CA-O 3.48Å; F41-Y95 AromaticContact CD2-CD1 3.99Å; F41-Y95 HydrophobicContact CD2-CD1 3.99Å; F41-Y95 HydrophobicContact CD2-CD2 4.02Å; F41-Y95 AromaticContact CD2-CE1 3.65Å; F41-Y95 HydrophobicContact CD2-CE1 3.65Å; F41-Y95 AromaticContact CD2-CE2 3.66Å; F41-Y95 HydrophobicContact CD2-CE2 3.66Å; F41-Y95 HydrophobicContact CD2-CG 4.16Å; F41-Y95 AromaticContact CD2-CZ 3.45Å; F41-Y95 VanDerWaalsContact CD2-CZ 3.45Å; F41-Y95 HydrophobicContact CE2-CD2 4.27Å; F41-Y95 HydrophobicContact CE2-CE1 4.18Å; F41-Y95 AromaticContact CE2-CE2 3.56Å; F41-Y95 HydrophobicContact CE2-CE2 3.56Å; F41-Y95 AromaticContact CE2-CZ 3.5Å
42	R	98.6	Very high	97.3	Very high	25 Å²	25	50.8 Å²	50.8	9%	0.094	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	129.5	169.5	179	166.4	62.2	-131.7	4.8	111.7	W57 L62 T65 G66 P67 V68 W94	R42-W57 HydrophobicContact CG-CH2 4.31Å; R42-W57 HydrophobicContact CG-CZ3 4.12Å; R42-W57 VanDerWaalsContact NE-CH2 3.27Å; R42-W57 VanDerWaalsContact NH2-CE2 3.33Å; R42-W57 VanDerWaalsContact NH2-CG 3.31Å; R42-L62 HydrophobicContact CB-CD2 4.17Å; R42-L62 PolarHBondContact NH1-O 2.96Å; R42-L62 PolarHBondContact NH2-O 3.5Å; R42-T65 PolarHBondContact NH2-OG1 2.91Å; R42-G66 VanDerWaalsContact NH1-C 3.27Å; R42-G66 PolarHBondContact NH1-O 3.36Å; R42-P67 WeakPolarHBondContact CD-O 3.26Å; R42-P67 PolarHBondContact NH1-O 3.47Å; R42-V68 HydrophobicContact CB-CG1 4.45Å; R42-W94 PolarHBondContact N-O 2.71Å; R42-W94 PolarHBondContact O-N 3.35Å
43	A	98.6	Very high	97.4	Very high	14 Å²	14	50.6 Å²	50.6	12%	0.116	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.4	165.7	0	0	0	0	0	110.7	F41 R45 L86 F89 V93	F41-A43 HydrophobicContact CE1-CB 4.43Å; A43-R45 HydrophobicContact CB-CG 4.46Å; A43-R45 PolarHBondContact O-N 3.46Å; A43-R45 VanDerWaalsContact O-N 3.09Å; A43-L86 HydrophobicContact CB-CD1 3.8Å; A43-F89 HydrophobicContact CB-CD1 4.3Å; A43-F89 HydrophobicContact CB-CD2 4.39Å; A43-F89 HydrophobicContact CB-CE1 4.12Å; A43-F89 HydrophobicContact CB-CE2 4.22Å; A43-F89 HydrophobicContact CB-CG 4.43Å; A43-F89 HydrophobicContact CB-CZ 4.08Å; A43-V93 HydrophobicContact CB-CG1 3.98Å
44	D	98.3	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.			trans	-79.4	90.1	175.8	-170.3	-9.6	0	0	0	110.8	S46 R49 N50 Q51 G52 W57 F89 W92	D44-S46 PolarHBondContact O-N 2.94Å; D44-S46 VanDerWaalsContact OD1-CB 3.28Å; D44-S46 WeakPolarHBondContact OD1-CB 3.39Å; D44-S46 PolarHBondContact OD1-N 3.22Å; D44-S46 VanDerWaalsContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 3.1Å; D44-S46 VanDerWaalsContact OD1-OG 3.13Å; D44-R49 WeakPolarHBondContact O-CD 3.37Å; D44-N50 VanDerWaalsContact OD2-C 3.27Å; D44-N50 WeakPolarHBondContact OD2-CA 3.48Å; D44-N50 PolarHBondContact OD2-N 2.98Å; D44-Q51 PolarHBondContact OD2-N 3.33Å; D44-G52 PolarHBondContact OD2-N 3Å; D44-W57 HydrophobicContact CB-CH2 4.1Å; D44-W57 HydrophobicContact CB-CZ3 4.04Å; D44-F89 WeakPolarHBondContact O-CZ 3.35Å; D44-W92 HydrophobicContact CB-CB 4.37Å; D44-W92 WeakPolarHBondContact CB-O 3.22Å; D44-W92 PolarHBondContact N-O 3.13Å
45	R	96.5	Very high	97.4	Very high	119 Å²	119	50.3 Å²	50.3	45%	0.449	27%	0.27	S	S	.	.			trans	-83.2	10	-179.2	-63.7	-172.1	175.2	179.9	2.2	113.8	A43 R49 D83 T85 F89	A43-R45 HydrophobicContact CB-CG 4.46Å; A43-R45 PolarHBondContact O-N 3.46Å; A43-R45 VanDerWaalsContact O-N 3.09Å; R45-R49 PolarHBondContact O-NH1 2.84Å; R45-D83 IonicContact CZ-OD2 2.85Å; R45-D83 VanDerWaalsContact CZ-OD2 3.22Å; R45-D83 IonicContact NH1-OD2 3Å; R45-D83 PolarHBondContact NH1-OD2 3.38Å; R45-D83 IonicContact NH2-OD1 3.73Å; R45-D83 IonicContact NH2-OD2 3.88Å; R45-D83 PolarHBondContact NH2-OD2 3.24Å; R45-T85 VanDerWaalsContact CZ-OG1 3.24Å; R45-T85 PolarHBondContact NH1-OG1 3.07Å; R45-T85 VanDerWaalsContact NH1-OG1 3.15Å; R45-T85 PolarHBondContact NH2-OG1 2.88Å; R45-F89 HydrophobicContact CG-CE2 4.24Å
46	S	96.3	Very high	97.4	Very high	11 Å²	11	51.5 Å²	51.5	8%	0.077	28%	0.28	C	S	.	.	S	Bend	trans	-60.2	152.2	176.6	80.7	0	0	0	0	110.8	D44 N48 R49 N50 Q51	D44-S46 PolarHBondContact O-N 2.94Å; D44-S46 VanDerWaalsContact OD1-CB 3.28Å; D44-S46 WeakPolarHBondContact OD1-CB 3.39Å; D44-S46 PolarHBondContact OD1-N 3.22Å; D44-S46 VanDerWaalsContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 3.1Å; D44-S46 VanDerWaalsContact OD1-OG 3.13Å; S46-N48 PolarHBondContact O-N 3.1Å; S46-N48 VanDerWaalsContact O-N 3.12Å; S46-N48 PolarHBondContact OG-OD1 3.09Å; S46-R49 PolarHBondContact O-N 3.1Å; S46-R49 PolarHBondContact O-NH1 2.85Å; S46-R49 WeakPolarHBondContact OG-CA 3.3Å; S46-R49 PolarHBondContact OG-N 3.46Å; S46-R49 VanDerWaalsContact OG-N 3.13Å; S46-N50 PolarHBondContact OG-N 3.49Å; S46-Q51 PolarHBondContact OG-N 3.11Å
47	P	92.1	Very high	97.5	Very high	133 Å²	133	50.2 Å²	50.2	86%	0.864	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.8	-177.8	-29.1	36.3	0	0	0	114.8
48	N	92.4	Very high	97.5	Very high	87 Å²	87	51 Å²	51	47%	0.465	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.5	177.2	67.6	-9.2	0	0	0	113.8	S46 N50 E54	S46-N48 PolarHBondContact O-N 3.1Å; S46-N48 VanDerWaalsContact O-N 3.12Å; S46-N48 PolarHBondContact OG-OD1 3.09Å; N48-N50 PolarHBondContact O-N 3.43Å; N48-N50 VanDerWaalsContact O-N 3.14Å; N48-N50 PolarHBondContact OD1-N 3.28Å; N48-E54 PolarHBondContact ND2-OE1 2.86Å
49	R	95.8	Very high	97.4	Very high	68 Å²	68	52.3 Å²	52.3	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	56	23.3	-177.5	-57.2	-65	-173	-97.5	-0.8	114.3	D44 R45 S46 I90	D44-R49 WeakPolarHBondContact O-CD 3.37Å; R45-R49 PolarHBondContact O-NH1 2.84Å; S46-R49 PolarHBondContact O-N 3.1Å; S46-R49 PolarHBondContact O-NH1 2.85Å; S46-R49 WeakPolarHBondContact OG-CA 3.3Å; S46-R49 PolarHBondContact OG-N 3.46Å; S46-R49 VanDerWaalsContact OG-N 3.13Å; R49-I90 PolarHBondContact NE-O 3.39Å
50	N	97.3	Very high	97.4	Very high	56 Å²	56	54.1 Å²	54.1	30%	0.299	28%	0.279	S	S	.	.			trans	-132.2	9.1	-169.4	-163.1	50.7	0	0	0	114.2	D44 S46 N48 G52 F53 E54	D44-N50 VanDerWaalsContact OD2-C 3.27Å; D44-N50 WeakPolarHBondContact OD2-CA 3.48Å; D44-N50 PolarHBondContact OD2-N 2.98Å; S46-N50 PolarHBondContact OG-N 3.49Å; N48-N50 PolarHBondContact O-N 3.43Å; N48-N50 VanDerWaalsContact O-N 3.14Å; N48-N50 PolarHBondContact OD1-N 3.28Å; N50-G52 PolarHBondContact O-N 3.16Å; N50-F53 PolarHBondContact O-N 2.91Å; N50-F53 VanDerWaalsContact O-N 3.16Å; N50-F53 WeakPolarHBondContact OD1-CD2 3.48Å; N50-E54 WeakPolarHBondContact O-CG 3.17Å; N50-E54 PolarHBondContact O-N 3.37Å; N50-E54 VanDerWaalsContact O-N 3.1Å
51	Q	98.1	Very high	97.3	Very high	89 Å²	89	58 Å²	58	42%	0.416	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-32.7	-179.7	-179.8	173.2	48.7	0	0	112.2	D44 S46 F53 E54 S55 W57	D44-Q51 PolarHBondContact OD2-N 3.33Å; S46-Q51 PolarHBondContact OG-N 3.11Å; Q51-F53 VanDerWaalsContact C-N 3.27Å; Q51-F53 PolarHBondContact O-N 3.2Å; Q51-E54 PolarHBondContact O-N 2.91Å; Q51-S55 VanDerWaalsContact O-CB 3.29Å; Q51-S55 WeakPolarHBondContact O-CB 3.5Å; Q51-S55 PolarHBondContact O-N 2.84Å; Q51-S55 PolarHBondContact O-OG 2.74Å; Q51-W57 HydrophobicContact CB-CZ2 4.39Å; Q51-W57 HydrophobicContact CG-CZ2 4.08Å
52	G	98.1	Very high	97.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-31.6	179.4	0	0	0	0	0	114.1	D44 N50 A56 W57	D44-G52 PolarHBondContact OD2-N 3Å; N50-G52 PolarHBondContact O-N 3.16Å; G52-A56 WeakPolarHBondContact O-CA 3.38Å; G52-A56 PolarHBondContact O-N 2.9Å; G52-W57 VanDerWaalsContact CA-CE3 3.44Å; G52-W57 PolarHBondContact O-N 3.4Å
53	F	98.4	Very high	97.3	Very high	50 Å²	50	59.6 Å²	59.6	22%	0.219	31%	0.308	C	S	.	.	H	α-helix	trans	-80.8	-44.8	172.4	-65.3	-86	0	0	0	111.6	N50 Q51 S55 A56 W92 W94 W127 A164	N50-F53 PolarHBondContact O-N 2.91Å; N50-F53 VanDerWaalsContact O-N 3.16Å; N50-F53 WeakPolarHBondContact OD1-CD2 3.48Å; Q51-F53 VanDerWaalsContact C-N 3.27Å; Q51-F53 PolarHBondContact O-N 3.2Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 2.92Å; F53-A56 PolarHBondContact O-N 3.04Å; F53-W92 HydrophobicContact CE2-CB 4.47Å; F53-W92 AromaticContact CE2-CD1 3.97Å; F53-W92 AromaticContact CE2-CD2 3.46Å; F53-W92 HydrophobicContact CE2-CD2 3.46Å; F53-W92 VanDerWaalsContact CE2-CD2 3.46Å; F53-W92 AromaticContact CE2-CE2 3.48Å; F53-W92 VanDerWaalsContact CE2-CE2 3.48Å; F53-W92 AromaticContact CE2-CE3 3.9Å; F53-W92 HydrophobicContact CE2-CE3 3.9Å; F53-W92 AromaticContact CE2-CG 3.75Å; F53-W92 HydrophobicContact CE2-CG 3.75Å; F53-W92 HydrophobicContact CE2-CH2 4.25Å; F53-W92 AromaticContact CE2-CZ2 3.91Å; F53-W92 HydrophobicContact CE2-CZ2 3.91Å; F53-W92 HydrophobicContact CE2-CZ3 4.29Å; F53-W92 AromaticContact CE2-NE1 3.78Å; F53-W92 AromaticContact CZ-CD2 3.87Å; F53-W92 HydrophobicContact CZ-CD2 3.87Å; F53-W92 AromaticContact CZ-CE2 3.88Å; F53-W92 AromaticContact CZ-CE3 3.85Å; F53-W92 HydrophobicContact CZ-CE3 3.85Å; F53-W92 AromaticContact CZ-CH2 3.78Å; F53-W92 HydrophobicContact CZ-CH2 3.78Å; F53-W92 AromaticContact CZ-CZ2 3.86Å; F53-W92 HydrophobicContact CZ-CZ2 3.86Å; F53-W92 AromaticContact CZ-CZ3 3.82Å; F53-W92 HydrophobicContact CZ-CZ3 3.82Å; F53-W94 HydrophobicContact CD1-CH2 4.19Å; F53-W94 HydrophobicContact CD1-CZ2 4.39Å; F53-W94 HydrophobicContact CD2-CH2 4.42Å; F53-W94 AromaticContact CD2-CZ2 3.82Å; F53-W94 HydrophobicContact CD2-CZ2 3.82Å; F53-W94 HydrophobicContact CE1-CH2 4.04Å; F53-W94 HydrophobicContact CE1-CZ2 4.27Å; F53-W94 HydrophobicContact CE2-CH2 4.25Å; F53-W94 AromaticContact CE2-CZ2 3.65Å; F53-W94 HydrophobicContact CE2-CZ2 3.65Å; F53-W94 HydrophobicContact CG-CH2 4.39Å; F53-W94 HydrophobicContact CG-CZ2 4.19Å; F53-W94 HydrophobicContact CZ-CH2 4.06Å; F53-W94 AromaticContact CZ-CZ2 3.9Å; F53-W94 HydrophobicContact CZ-CZ2 3.9Å; F53-W127 HydrophobicContact CD1-CH2 4.46Å; F53-W127 HydrophobicContact CD1-CZ2 4.47Å; F53-W127 AromaticContact CE1-CH2 3.62Å; F53-W127 HydrophobicContact CE1-CH2 3.62Å; F53-W127 AromaticContact CE1-CZ2 3.95Å; F53-W127 HydrophobicContact CE1-CZ2 3.95Å; F53-W127 HydrophobicContact CZ-CH2 4.19Å; F53-A164 HydrophobicContact CZ-CB 4.1Å
54	E	98.1	Very high	97.3	Very high	123 Å²	123	64.6 Å²	64.6	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-60.1	-39.5	179.9	-70.2	170.1	-177.1	0	0	112.8	N48 N50 Q51	N48-E54 PolarHBondContact ND2-OE1 2.86Å; N50-E54 WeakPolarHBondContact O-CG 3.17Å; N50-E54 PolarHBondContact O-N 3.37Å; N50-E54 VanDerWaalsContact O-N 3.1Å; Q51-E54 PolarHBondContact O-N 2.91Å
55	S	97.8	Very high	97.2	Very high	68 Å²	68	66.6 Å²	66.6	48%	0.476	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.6	178.2	-53.6	0	0	0	0	112.9	Q51 F53 W57	Q51-S55 VanDerWaalsContact O-CB 3.29Å; Q51-S55 WeakPolarHBondContact O-CB 3.5Å; Q51-S55 PolarHBondContact O-N 2.84Å; Q51-S55 PolarHBondContact O-OG 2.74Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 2.92Å; S55-W57 PolarHBondContact O-N 3.07Å
56	A	98.3	Very high	97.2	Very high	26 Å²	26	62.1 Å²	62.1	22%	0.215	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	52.3	179.5	0	0	0	0	0	114.2	G52 F53 Y58 K59	G52-A56 WeakPolarHBondContact O-CA 3.38Å; G52-A56 PolarHBondContact O-N 2.9Å; F53-A56 PolarHBondContact O-N 3.04Å; A56-Y58 HydrophobicContact CB-CE1 4.13Å; A56-Y58 HydrophobicContact CB-CE2 4.35Å; A56-Y58 PolarHBondContact O-N 3.06Å; A56-K59 HydrophobicContact CB-CB 4.5Å; A56-K59 HydrophobicContact CB-CG 3.87Å; A56-K59 WeakPolarHBondContact O-CB 3.32Å; A56-K59 PolarHBondContact O-N 3.23Å
57	W	98.6	Very high	97.3	Very high	14 Å²	14	67.3 Å²	67.3	5%	0.053	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-52.8	-29.4	-177.5	-71.7	-7.4	0	0	0	113.8	R42 D44 Q51 G52 S55 K59 L62 W94	R42-W57 HydrophobicContact CG-CH2 4.31Å; R42-W57 HydrophobicContact CG-CZ3 4.12Å; R42-W57 VanDerWaalsContact NE-CH2 3.27Å; R42-W57 VanDerWaalsContact NH2-CE2 3.33Å; R42-W57 VanDerWaalsContact NH2-CG 3.31Å; D44-W57 HydrophobicContact CB-CH2 4.1Å; D44-W57 HydrophobicContact CB-CZ3 4.04Å; Q51-W57 HydrophobicContact CB-CZ2 4.39Å; Q51-W57 HydrophobicContact CG-CZ2 4.08Å; G52-W57 VanDerWaalsContact CA-CE3 3.44Å; G52-W57 PolarHBondContact O-N 3.4Å; S55-W57 PolarHBondContact O-N 3.07Å; W57-K59 PolarHBondContact O-N 2.95Å; W57-L62 HydrophobicContact CB-CD1 4.16Å; W57-L62 HydrophobicContact CE3-CD1 4.19Å; W57-W94 AromaticContact CE3-CD1 3.67Å; W57-W94 AromaticContact CE3-CD2 3.98Å; W57-W94 HydrophobicContact CE3-CD2 3.98Å; W57-W94 AromaticContact CE3-CE2 3.87Å; W57-W94 AromaticContact CE3-CG 3.87Å; W57-W94 HydrophobicContact CE3-CG 3.87Å; W57-W94 AromaticContact CE3-NE1 3.65Å; W57-W94 AromaticContact CZ3-CD1 3.59Å; W57-W94 HydrophobicContact CZ3-CG 4.2Å; W57-W94 AromaticContact CZ3-NE1 3.7Å
58	Y	98.3	Very high	97.6	Very high	50 Å²	50	63.4 Å²	63.4	20%	0.196	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65.8	-15.8	176.3	51.9	-91.5	0	0	0	114.7	A56 W94 W127 G130 R160	A56-Y58 HydrophobicContact CB-CE1 4.13Å; A56-Y58 HydrophobicContact CB-CE2 4.35Å; A56-Y58 PolarHBondContact O-N 3.06Å; Y58-W94 AromaticContact CD1-CH2 3.85Å; Y58-W94 HydrophobicContact CD1-CH2 3.85Å; Y58-W94 AromaticContact CD1-CZ3 3.95Å; Y58-W94 HydrophobicContact CD1-CZ3 3.95Å; Y58-W127 HydrophobicContact CD1-CD2 4.4Å; Y58-W127 AromaticContact CD1-CE2 3.75Å; Y58-W127 HydrophobicContact CD1-CH2 4.3Å; Y58-W127 AromaticContact CD1-CZ2 3.7Å; Y58-W127 HydrophobicContact CD1-CZ2 3.7Å; Y58-W127 AromaticContact CD1-NE1 3.92Å; Y58-W127 AromaticContact CD2-CD1 3.46Å; Y58-W127 VanDerWaalsContact CD2-CD1 3.46Å; Y58-W127 HydrophobicContact CD2-CD2 4.45Å; Y58-W127 AromaticContact CD2-CE2 3.98Å; Y58-W127 HydrophobicContact CD2-CG 4.18Å; Y58-W127 AromaticContact CD2-NE1 3.34Å; Y58-W127 VanDerWaalsContact CD2-NE1 3.34Å; Y58-W127 HydrophobicContact CE1-CZ2 4.01Å; Y58-W127 AromaticContact CE2-NE1 3.65Å; Y58-W127 AromaticContact CG-CD1 3.75Å; Y58-W127 AromaticContact CG-CD2 3.97Å; Y58-W127 HydrophobicContact CG-CD2 3.97Å; Y58-W127 AromaticContact CG-CE2 3.61Å; Y58-W127 HydrophobicContact CG-CG 4.06Å; Y58-W127 HydrophobicContact CG-CZ2 4.08Å; Y58-W127 AromaticContact CG-NE1 3.49Å; Y58-G130 WeakPolarHBondContact O-CA 3.5Å; Y58-R160 PolarHBondContact O-NH1 2.73Å; Y58-R160 PolarHBondContact O-NH2 2.61Å
59	K	98	Very high	97.9	Very high	135 Å²	135	63.1 Å²	63.1	59%	0.587	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-76	-30.6	-176.1	-75.1	-66.5	-174	-167.2	0	114.2	A56 W57 G130 R160	A56-K59 HydrophobicContact CB-CB 4.5Å; A56-K59 HydrophobicContact CB-CG 3.87Å; A56-K59 WeakPolarHBondContact O-CB 3.32Å; A56-K59 PolarHBondContact O-N 3.23Å; W57-K59 PolarHBondContact O-N 2.95Å; K59-G130 PolarHBondContact NZ-O 3.27Å; K59-R160 PolarHBondContact O-NH2 3.09Å
60	S	97.4	Very high	98.1	Very high	41 Å²	41	65.2 Å²	65.2	29%	0.287	35%	0.353	S	S	.	.	S	Bend	trans	-122.7	-171.5	175.4	58.9	0	0	0	0	110	E64 T65 R160	S60-E64 WeakPolarHBondContact CB-OE2 3.39Å; S60-T65 VanDerWaalsContact OG-CG2 3.3Å; S60-T65 WeakPolarHBondContact OG-CG2 3.3Å; S60-R160 PolarHBondContact O-NH1 3.42Å; S60-R160 VanDerWaalsContact O-NH1 3.09Å
61	R	98.2	Very high	98.1	Very high	105 Å²	105	62.5 Å²	62.5	40%	0.396	34%	0.338	S	S	.	.			trans	-67.4	143.5	174.1	-63.2	-175.3	177.4	104.2	-6.4	110.1	A63 E64 T65 E96 E98	R61-A63 PolarHBondContact O-N 2.83Å; R61-E64 HydrophobicContact CB-CB 4.35Å; R61-E64 HydrophobicContact CB-CG 3.92Å; R61-E64 WeakPolarHBondContact CD-OE1 3.12Å; R61-E64 WeakPolarHBondContact CG-OE1 3.24Å; R61-E64 IonicContact CZ-OE1 3.5Å; R61-E64 IonicContact NH1-OE1 3.16Å; R61-E64 PolarHBondContact NH1-OE1 2.81Å; R61-E64 WeakPolarHBondContact O-CB 3.2Å; R61-E64 PolarHBondContact O-N 2.86Å; R61-T65 PolarHBondContact O-N 3.22Å; R61-E96 VanDerWaalsContact CA-OE1 3.28Å; R61-E96 WeakPolarHBondContact CA-OE1 3.26Å; R61-E98 IonicContact CZ-OE1 3.58Å; R61-E98 IonicContact NE-OE1 2.86Å; R61-E98 PolarHBondContact NE-OE1 2.9Å; R61-E98 IonicContact NE-OE2 3.22Å; R61-E98 IonicContact NH2-OE1 2.68Å; R61-E98 PolarHBondContact NH2-OE1 3.23Å; R61-E98 IonicContact NH2-OE2 3.87Å
62	L	98.4	Very high	98.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-59.8	-37.3	179.8	-166.4	69.3	0	0	0	111.2	R42 W57 E64 T65 V68 W94 E96	R42-L62 HydrophobicContact CB-CD2 4.17Å; R42-L62 PolarHBondContact NH1-O 2.96Å; R42-L62 PolarHBondContact NH2-O 3.5Å; W57-L62 HydrophobicContact CB-CD1 4.16Å; W57-L62 HydrophobicContact CE3-CD1 4.19Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 3.3Å; L62-T65 PolarHBondContact O-N 2.82Å; L62-T65 PolarHBondContact O-OG1 3.34Å; L62-V68 HydrophobicContact CB-CG1 4.15Å; L62-V68 HydrophobicContact CD2-CG1 3.88Å; L62-V68 HydrophobicContact CG-CG1 3.75Å; L62-W94 HydrophobicContact CD1-CB 3.93Å; L62-W94 HydrophobicContact CD1-CG 4.43Å; L62-W94 HydrophobicContact CD2-CB 3.99Å; L62-E96 HydrophobicContact CB-CB 3.96Å; L62-E96 HydrophobicContact CD2-CB 4.26Å; L62-E96 PolarHBondContact N-OE1 3.12Å
63	A	98.1	Very high	98.2	Very high	63 Å²	63	60.4 Å²	60.4	52%	0.521	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66.7	-24.7	175.3	0	0	0	0	0	113.9	R61 T65 G66 V68	R61-A63 PolarHBondContact O-N 2.83Å; A63-T65 VanDerWaalsContact C-N 3.29Å; A63-G66 CarbonylContact C-O 3.43Å; A63-G66 WeakPolarHBondContact CA-O 3.43Å; A63-V68 HydrophobicContact CB-CG1 4.48Å; A63-V68 HydrophobicContact CB-CG2 3.95Å
64	E	98.1	Very high	98.2	Very high	118 Å²	118	59.5 Å²	59.5	55%	0.551	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-78.4	-17.8	176.5	-68.1	167	-163.8	0	0	111.8	S60 R61 L62	S60-E64 WeakPolarHBondContact CB-OE2 3.39Å; R61-E64 HydrophobicContact CB-CB 4.35Å; R61-E64 HydrophobicContact CB-CG 3.92Å; R61-E64 WeakPolarHBondContact CD-OE1 3.12Å; R61-E64 WeakPolarHBondContact CG-OE1 3.24Å; R61-E64 IonicContact CZ-OE1 3.5Å; R61-E64 IonicContact NH1-OE1 3.16Å; R61-E64 PolarHBondContact NH1-OE1 2.81Å; R61-E64 WeakPolarHBondContact O-CB 3.2Å; R61-E64 PolarHBondContact O-N 2.86Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 3.3Å
65	T	97.2	Very high	98.2	Very high	43 Å²	43	53.8 Å²	53.8	26%	0.264	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-99.7	1.8	-179.6	49.4	0	0	0	0	113.1	R42 S60 R61 L62 A63	R42-T65 PolarHBondContact NH2-OG1 2.91Å; S60-T65 VanDerWaalsContact OG-CG2 3.3Å; S60-T65 WeakPolarHBondContact OG-CG2 3.3Å; R61-T65 PolarHBondContact O-N 3.22Å; L62-T65 PolarHBondContact O-N 2.82Å; L62-T65 PolarHBondContact O-OG1 3.34Å; A63-T65 VanDerWaalsContact C-N 3.29Å
66	G	97.1	Very high	98.3	Very high	24 Å²	24	50.5 Å²	50.5	25%	0.247	28%	0.282	C	S	.	.	S	Bend	trans	149.1	177.1	175.9	0	0	0	0	0	112.6	R42 A63	R42-G66 VanDerWaalsContact NH1-C 3.27Å; R42-G66 PolarHBondContact NH1-O 3.36Å; A63-G66 CarbonylContact C-O 3.43Å; A63-G66 WeakPolarHBondContact CA-O 3.43Å
67	P	97.8	Very high	98.3	Very high	121 Å²	121	49.3 Å²	49.3	79%	0.786	27%	0.272	S	S	*	.			trans	-57.1	145	177.5	-23.1	33.8	0	0	0	112.2	R42	R42-P67 WeakPolarHBondContact CD-O 3.26Å; R42-P67 PolarHBondContact NH1-O 3.47Å
68	V	98.6	Very high	98.3	Very high	50 Å²	50	48.8 Å²	48.8	30%	0.303	27%	0.27	S	S	.	.			trans	-131.5	158.9	174.1	-64.2	0	0	0	0	109.1	A40 F41 R42 L62 A63	A40-V68 HydrophobicContact CB-CB 4.3Å; A40-V68 HydrophobicContact CB-CG2 4.18Å; F41-V68 VanDerWaalsContact O-CA 3.31Å; F41-V68 WeakPolarHBondContact O-CA 3.34Å; R42-V68 HydrophobicContact CB-CG1 4.45Å; L62-V68 HydrophobicContact CB-CG1 4.15Å; L62-V68 HydrophobicContact CD2-CG1 3.88Å; L62-V68 HydrophobicContact CG-CG1 3.75Å; A63-V68 HydrophobicContact CB-CG1 4.48Å; A63-V68 HydrophobicContact CB-CG2 3.95Å
69	I	98.6	Very high	98.3	Very high	82 Å²	82	48.3 Å²	48.3	42%	0.421	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	164	169.3	61.5	174.5	0	0	0	109.6	F41 M71 T81 L86	F41-I69 HydrophobicContact CB-CG1 4.2Å; F41-I69 WeakPolarHBondContact CB-O 3.49Å; F41-I69 HydrophobicContact CD1-CD1 3.89Å; F41-I69 HydrophobicContact CD1-CG1 3.73Å; F41-I69 HydrophobicContact CE1-CD1 4.4Å; F41-I69 HydrophobicContact CG-CG1 4.43Å; F41-I69 PolarHBondContact N-O 2.97Å; F41-I69 PolarHBondContact O-N 2.92Å; I69-M71 HydrophobicContact CD1-CE 4.02Å; I69-T81 HydrophobicContact CD1-CG2 4.04Å; I69-L86 HydrophobicContact CD1-CD2 4.33Å
70	D	98.8	Very high	98.4	Very high	111 Å²	111	44.2 Å²	44.2	59%	0.594	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	137.6	171.8	-67.5	-36.9	0	0	0	110.3	L38	L38-D70 HydrophobicContact CD1-CB 4.35Å; L38-D70 HydrophobicContact CD2-CB 4.36Å
71	M	98.9	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.2	173.4	-165.2	61.8	60.5	0	0	110.1	W39 F41 I69 I80 T81 L86 Y95	W39-M71 PolarHBondContact N-O 3.3Å; W39-M71 PolarHBondContact O-N 3.14Å; F41-M71 HydrophobicContact CB-CB 3.48Å; F41-M71 VanDerWaalsContact CB-CB 3.48Å; F41-M71 HydrophobicContact CB-CG 4.38Å; F41-M71 HydrophobicContact CD1-CE 3.71Å; F41-M71 HydrophobicContact CD2-CB 3.97Å; F41-M71 HydrophobicContact CD2-CE 4.28Å; F41-M71 HydrophobicContact CD2-CG 3.97Å; F41-M71 HydrophobicContact CE1-CE 3.86Å; F41-M71 HydrophobicContact CE2-CE 4.39Å; F41-M71 HydrophobicContact CE2-CG 4.45Å; F41-M71 HydrophobicContact CG-CB 3.81Å; F41-M71 HydrophobicContact CG-CE 3.93Å; F41-M71 HydrophobicContact CG-CG 4.18Å; F41-M71 HydrophobicContact CZ-CE 4.19Å; I69-M71 HydrophobicContact CD1-CE 4.02Å; M71-I80 HydrophobicContact CE-CB 4.49Å; M71-I80 HydrophobicContact CE-CG2 4.46Å; M71-I80 HydrophobicContact SD-CB 3.83Å; M71-I80 HydrophobicContact SD-CG1 3.74Å; M71-I80 HydrophobicContact SD-CG2 3.84Å; M71-T81 HydrophobicContact CE-CG2 4.26Å; M71-L86 HydrophobicContact CE-CD2 4.35Å; M71-Y95 HydrophobicContact CB-CD1 4.42Å; M71-Y95 HydrophobicContact CB-CE1 3.85Å; M71-Y95 HydrophobicContact CG-CE1 3.51Å
72	P	98.8	Very high	98.4	Very high	41 Å²	41	48.1 Å²	48.1	27%	0.266	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.8	176.7	28.4	-32.1	0	0	0	111.5	A75 I80	P72-A75 HydrophobicContact CB-CB 4.32Å; P72-A75 HydrophobicContact CG-CB 3.82Å; P72-A75 WeakPolarHBondContact O-CB 3.46Å; P72-I80 HydrophobicContact CG-CD1 3.84Å; P72-I80 HydrophobicContact CG-CG1 4.29Å
73	V	98.8	Very high	98.4	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.9	168.8	176.5	0	0	0	0	107.6	N36 G37 W39 Y95 I207 V211	N36-V73 CarbonylContact C-O 3.55Å; N36-V73 VanDerWaalsContact CA-O 3.28Å; N36-V73 WeakPolarHBondContact CA-O 3.29Å; G37-V73 PolarHBondContact N-O 3.27Å; G37-V73 PolarHBondContact O-N 3.37Å; W39-V73 HydrophobicContact CB-CG2 4.27Å; W39-V73 VanDerWaalsContact CD1-CG2 3.46Å; W39-V73 HydrophobicContact CD2-CG2 4.25Å; W39-V73 HydrophobicContact CG-CB 4.45Å; W39-V73 HydrophobicContact CG-CG2 3.77Å; V73-Y95 HydrophobicContact CG2-CD1 3.96Å; V73-Y95 HydrophobicContact CG2-CE1 3.98Å; V73-I207 HydrophobicContact CG1-CB 3.96Å; V73-I207 HydrophobicContact CG1-CG2 3.6Å; V73-I207 HydrophobicContact CG2-CB 4.19Å; V73-I207 HydrophobicContact CG2-CD1 4.34Å; V73-V211 HydrophobicContact CG1-CG2 4.02Å
74	P	98.6	Very high	98.3	Very high	31 Å²	31	51.7 Å²	51.7	20%	0.201	29%	0.291	C	S	.	.	S	Bend	cis	-76.6	132.4	0.9	28.8	-33.2	0	0	0	114	I207 H208 L354	P74-I207 WeakPolarHBondContact CA-O 3.44Å; P74-H208 WeakPolarHBondContact CB-O 3.25Å; P74-L354 HydrophobicContact CB-CB 4.32Å; P74-L354 HydrophobicContact CG-CB 4.16Å
75	A	98.8	Very high	98.2	Very high	2 Å²	2	50 Å²	50	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	158.4	168.5	0	0	0	0	0	111.6	P72 I80 I207	P72-A75 HydrophobicContact CB-CB 4.32Å; P72-A75 HydrophobicContact CG-CB 3.82Å; P72-A75 WeakPolarHBondContact O-CB 3.46Å; A75-I80 HydrophobicContact CB-CD1 4.32Å; A75-I207 PolarHBondContact N-O 2.98Å; A75-I207 CarbonylContact O-C 3.4Å
76	S	98.8	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.8	159.5	-41	0	0	0	0	108.7	N78 I80 Y204 A205 H208 R350 K352	S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.02Å; S76-I80 VanDerWaalsContact O-CG1 3.31Å; S76-I80 WeakPolarHBondContact O-CG1 3.26Å; S76-Y204 VanDerWaalsContact CB-CD1 3.47Å; S76-A205 CarbonylContact C-O 3.55Å; S76-A205 VanDerWaalsContact CA-O 3.25Å; S76-A205 WeakPolarHBondContact CA-O 3.5Å; S76-H208 PolarHBondContact OG-CE1 2.97Å; S76-H208 VanDerWaalsContact OG-CE1 3.24Å; S76-H208 PolarHBondContact OG-ND1 3.31Å; S76-H208 VanDerWaalsContact OG-ND1 3.15Å; S76-R350 WeakPolarHBondContact CB-O 3.4Å; S76-R350 PolarHBondContact N-O 3.34Å; S76-R350 PolarHBondContact OG-O 2.82Å; S76-R350 VanDerWaalsContact OG-O 3.06Å; S76-K352 PolarHBondContact OG-N 2.64Å
77	Y	98.7	Very high	98.3	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	27%	0.273	C	S	.	.	S	Bend	trans	-76.9	-18.7	-176.9	63.2	-107.1	0	0	0	113.3	F41 D79 I80 L86 F89 V93 N167 A205	F41-Y77 HydrophobicContact CE2-CD1 4.16Å; F41-Y77 HydrophobicContact CE2-CG 4.23Å; F41-Y77 HydrophobicContact CZ-CD1 4.16Å; F41-Y77 HydrophobicContact CZ-CD2 4.4Å; F41-Y77 AromaticContact CZ-CG 3.94Å; F41-Y77 HydrophobicContact CZ-CG 3.94Å; Y77-D79 PolarHBondContact O-N 3.13Å; Y77-I80 PolarHBondContact O-N 3.36Å; Y77-L86 HydrophobicContact CD2-CD1 3.94Å; Y77-L86 HydrophobicContact CD2-CD2 4.5Å; Y77-L86 HydrophobicContact CD2-CG 3.9Å; Y77-L86 HydrophobicContact CE2-CD1 4.05Å; Y77-L86 HydrophobicContact CE2-CG 4.29Å; Y77-L86 VanDerWaalsContact CE2-O 3.29Å; Y77-L86 WeakPolarHBondContact CE2-O 3.47Å; Y77-F89 PolarHBondContact OH-O 3.3Å; Y77-V93 HydrophobicContact CD1-CG1 4.38Å; Y77-V93 HydrophobicContact CD1-CG2 4.1Å; Y77-V93 HydrophobicContact CE1-CB 4.45Å; Y77-V93 HydrophobicContact CE1-CG1 3.84Å; Y77-V93 HydrophobicContact CE1-CG2 3.84Å; Y77-N167 PolarHBondContact OH-ND2 3.13Å; Y77-A205 HydrophobicContact CD1-CB 4.37Å; Y77-A205 WeakPolarHBondContact CD1-O 3.44Å; Y77-A205 HydrophobicContact CE1-CB 3.5Å; Y77-A205 WeakPolarHBondContact CE1-O 3.47Å; Y77-A205 PolarHBondContact N-O 2.94Å
78	N	98.8	Very high	98.2	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.011	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-42.7	-160.7	-52.8	76.5	0	0	0	113.1	S76 R87 F202 Y204 A205	S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.02Å; N78-R87 HydrophobicContact CB-CG 4.19Å; N78-R87 PolarHBondContact ND2-O 2.95Å; N78-R87 WeakPolarHBondContact O-CA 3.49Å; N78-R87 WeakPolarHBondContact O-CB 3.48Å; N78-F202 HydrophobicContact CB-CE1 3.83Å; N78-Y204 HydrophobicContact CB-CD1 3.82Å; N78-Y204 HydrophobicContact CB-CE1 3.95Å; N78-Y204 WeakPolarHBondContact OD1-CD1 3.26Å; N78-A205 PolarHBondContact OD1-N 2.96Å; N78-A205 PolarHBondContact OD1-O 2.77Å
79	D	98.6	Very high	98.2	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.214	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	13.3	-174.7	-63.1	-32.3	0	0	0	113.5	Y77 R87 Y204	Y77-D79 PolarHBondContact O-N 3.13Å; D79-R87 WeakPolarHBondContact OD1-CD 3.16Å; D79-R87 IonicContact OD1-CZ 3.91Å; D79-R87 IonicContact OD1-NE 3.53Å; D79-R87 PolarHBondContact OD1-NE 2.75Å; D79-Y204 WeakPolarHBondContact OD2-CE1 3.49Å; D79-Y204 VanDerWaalsContact OD2-CZ 3.29Å; D79-Y204 PolarHBondContact OD2-OH 3.07Å
80	I	98.8	Very high	98.1	Very high	50 Å²	50	42.7 Å²	42.7	26%	0.256	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.4	177.1	-60.1	-61.3	0	0	0	111.7	M71 P72 A75 S76 Y77 I349	M71-I80 HydrophobicContact CE-CB 4.49Å; M71-I80 HydrophobicContact CE-CG2 4.46Å; M71-I80 HydrophobicContact SD-CB 3.83Å; M71-I80 HydrophobicContact SD-CG1 3.74Å; M71-I80 HydrophobicContact SD-CG2 3.84Å; P72-I80 HydrophobicContact CG-CD1 3.84Å; P72-I80 HydrophobicContact CG-CG1 4.29Å; A75-I80 HydrophobicContact CB-CD1 4.32Å; S76-I80 VanDerWaalsContact O-CG1 3.31Å; S76-I80 WeakPolarHBondContact O-CG1 3.26Å; Y77-I80 PolarHBondContact O-N 3.36Å; I80-I349 HydrophobicContact CD1-CG2 3.92Å; I80-I349 WeakPolarHBondContact CD1-O 3.49Å
81	T	98.5	Very high	98.1	Very high	37 Å²	37	37.5 Å²	37.5	23%	0.227	21%	0.205	C	C	.	.	S	Bend	trans	-115.3	166.9	-170.4	80.4	0	0	0	0	112.1	I69 M71 D83 L86	I69-T81 HydrophobicContact CD1-CG2 4.04Å; M71-T81 HydrophobicContact CE-CG2 4.26Å; T81-D83 VanDerWaalsContact C-N 3.28Å; T81-D83 PolarHBondContact OG1-N 3.43Å; T81-L86 HydrophobicContact CG2-CD2 3.73Å
82	Q	98.3	Very high	98.1	Very high	190 Å²	190	39.3 Å²	39.3	89%	0.888	21%	0.211	S	C	*	.	S	Bend	trans	-89.4	9	172.7	-49.9	-55.6	-19.4	0	0	113	P84	Q82-P84 VanDerWaalsContact O-CD 3.24Å; Q82-P84 WeakPolarHBondContact O-CD 3.31Å
83	D	98.1	Very high	98.1	Very high	51 Å²	51	37.4 Å²	37.4	27%	0.273	20%	0.199	S	C	.	.			trans	-91	105.3	-178.9	-173.1	-16.1	0	0	0	110.3	R45 T81 T85 L86 R87	R45-D83 IonicContact CZ-OD2 2.85Å; R45-D83 VanDerWaalsContact CZ-OD2 3.22Å; R45-D83 IonicContact NH1-OD2 3Å; R45-D83 PolarHBondContact NH1-OD2 3.38Å; R45-D83 IonicContact NH2-OD1 3.73Å; R45-D83 IonicContact NH2-OD2 3.88Å; R45-D83 PolarHBondContact NH2-OD2 3.24Å; T81-D83 VanDerWaalsContact C-N 3.28Å; T81-D83 PolarHBondContact OG1-N 3.43Å; D83-T85 VanDerWaalsContact CG-OG1 3.3Å; D83-T85 PolarHBondContact O-N 2.99Å; D83-T85 WeakPolarHBondContact OD1-CA 3.39Å; D83-T85 WeakPolarHBondContact OD1-CB 3.49Å; D83-T85 PolarHBondContact OD1-N 3.27Å; D83-T85 PolarHBondContact OD1-OG1 3.01Å; D83-T85 PolarHBondContact OD2-OG1 3.27Å; D83-L86 HydrophobicContact CB-CB 4.04Å; D83-L86 WeakPolarHBondContact O-CB 3.43Å; D83-L86 PolarHBondContact O-N 3.15Å; D83-L86 PolarHBondContact OD1-N 3.34Å; D83-R87 PolarHBondContact O-N 3.38Å
84	P	95.9	Very high	98.1	Very high	88 Å²	88	37.2 Å²	37.2	57%	0.571	20%	0.198	S	C	*	.	H	α-helix	trans	-63.7	-26.4	-179.7	27.7	-35.6	0	0	0	112.1	Q82 L86 R87 D88	Q82-P84 VanDerWaalsContact O-CD 3.24Å; Q82-P84 WeakPolarHBondContact O-CD 3.31Å; P84-L86 VanDerWaalsContact C-N 3.26Å; P84-L86 PolarHBondContact O-N 3.01Å; P84-R87 PolarHBondContact O-N 3.36Å; P84-D88 PolarHBondContact O-N 3.46Å
85	T	95.6	Very high	98.1	Very high	83 Å²	83	35.7 Å²	35.7	51%	0.509	19%	0.188	S	C	.	.	H	α-helix	trans	-75.2	-18.3	177.4	74.2	0	0	0	0	112.5	R45 D83 F89	R45-T85 VanDerWaalsContact CZ-OG1 3.24Å; R45-T85 PolarHBondContact NH1-OG1 3.07Å; R45-T85 VanDerWaalsContact NH1-OG1 3.15Å; R45-T85 PolarHBondContact NH2-OG1 2.88Å; D83-T85 VanDerWaalsContact CG-OG1 3.3Å; D83-T85 PolarHBondContact O-N 2.99Å; D83-T85 WeakPolarHBondContact OD1-CA 3.39Å; D83-T85 WeakPolarHBondContact OD1-CB 3.49Å; D83-T85 PolarHBondContact OD1-N 3.27Å; D83-T85 PolarHBondContact OD1-OG1 3.01Å; D83-T85 PolarHBondContact OD2-OG1 3.27Å; T85-F89 WeakPolarHBondContact O-CB 3.39Å
86	L	98.2	Very high	98.1	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-81.8	-42.1	169.1	-173.8	59.2	0	0	0	110.7	F41 A43 I69 M71 Y77 T81 D83 P84 D88 F89	F41-L86 HydrophobicContact CE1-CD1 3.91Å; F41-L86 HydrophobicContact CE1-CD2 3.99Å; F41-L86 HydrophobicContact CZ-CD1 4.07Å; A43-L86 HydrophobicContact CB-CD1 3.8Å; I69-L86 HydrophobicContact CD1-CD2 4.33Å; M71-L86 HydrophobicContact CE-CD2 4.35Å; Y77-L86 HydrophobicContact CD2-CD1 3.94Å; Y77-L86 HydrophobicContact CD2-CD2 4.5Å; Y77-L86 HydrophobicContact CD2-CG 3.9Å; Y77-L86 HydrophobicContact CE2-CD1 4.05Å; Y77-L86 HydrophobicContact CE2-CG 4.29Å; Y77-L86 VanDerWaalsContact CE2-O 3.29Å; Y77-L86 WeakPolarHBondContact CE2-O 3.47Å; T81-L86 HydrophobicContact CG2-CD2 3.73Å; D83-L86 HydrophobicContact CB-CB 4.04Å; D83-L86 WeakPolarHBondContact O-CB 3.43Å; D83-L86 PolarHBondContact O-N 3.15Å; D83-L86 PolarHBondContact OD1-N 3.34Å; P84-L86 VanDerWaalsContact C-N 3.26Å; P84-L86 PolarHBondContact O-N 3.01Å; L86-D88 VanDerWaalsContact C-N 3.29Å; L86-D88 PolarHBondContact O-N 3.22Å; L86-F89 HydrophobicContact CD1-CB 4.38Å; L86-F89 WeakPolarHBondContact O-CB 3.37Å; L86-F89 PolarHBondContact O-N 3.12Å; L86-F89 VanDerWaalsContact O-N 3.11Å
87	R	98.1	Very high	98.1	Very high	37 Å²	37	38.9 Å²	38.9	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-52.5	-47.8	-179.3	-173.7	-177.7	-178.8	-82.8	0.9	112.6	N78 D79 D83 P84 F202	N78-R87 HydrophobicContact CB-CG 4.19Å; N78-R87 PolarHBondContact ND2-O 2.95Å; N78-R87 WeakPolarHBondContact O-CA 3.49Å; N78-R87 WeakPolarHBondContact O-CB 3.48Å; D79-R87 WeakPolarHBondContact OD1-CD 3.16Å; D79-R87 IonicContact OD1-CZ 3.91Å; D79-R87 IonicContact OD1-NE 3.53Å; D79-R87 PolarHBondContact OD1-NE 2.75Å; D83-R87 PolarHBondContact O-N 3.38Å; P84-R87 PolarHBondContact O-N 3.36Å; R87-F202 HydrophobicContact CG-CZ 4.31Å; R87-F202 VanDerWaalsContact NH1-CE2 3.31Å
88	D	96	Very high	98.1	Very high	90 Å²	90	42.6 Å²	42.6	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	21.3	-177.3	-52.1	-38.1	0	0	0	112.1	P84 L86 I90	P84-D88 PolarHBondContact O-N 3.46Å; L86-D88 VanDerWaalsContact C-N 3.29Å; L86-D88 PolarHBondContact O-N 3.22Å; D88-I90 PolarHBondContact O-N 3.24Å
89	F	97.9	Very high	98	Very high	10 Å²	10	42.9 Å²	42.9	4%	0.044	22%	0.219	C	C	.	.			trans	-65.2	134.2	-179.3	177.6	-100.8	0	0	0	111.3	A43 D44 R45 Y77 T85 L86 G91 W92 V93 N167	A43-F89 HydrophobicContact CB-CD1 4.3Å; A43-F89 HydrophobicContact CB-CD2 4.39Å; A43-F89 HydrophobicContact CB-CE1 4.12Å; A43-F89 HydrophobicContact CB-CE2 4.22Å; A43-F89 HydrophobicContact CB-CG 4.43Å; A43-F89 HydrophobicContact CB-CZ 4.08Å; D44-F89 WeakPolarHBondContact O-CZ 3.35Å; R45-F89 HydrophobicContact CG-CE2 4.24Å; Y77-F89 PolarHBondContact OH-O 3.3Å; T85-F89 WeakPolarHBondContact O-CB 3.39Å; L86-F89 HydrophobicContact CD1-CB 4.38Å; L86-F89 WeakPolarHBondContact O-CB 3.37Å; L86-F89 PolarHBondContact O-N 3.12Å; L86-F89 VanDerWaalsContact O-N 3.11Å; F89-G91 VanDerWaalsContact CE1-C 3.48Å; F89-W92 WeakPolarHBondContact CE1-O 3.38Å; F89-V93 HydrophobicContact CD1-CG1 3.71Å; F89-V93 HydrophobicContact CE1-CG1 3.63Å; F89-N167 PolarHBondContact O-ND2 3.26Å
90	I	98.2	Very high	97.8	Very high	24 Å²	24	45.3 Å²	45.3	12%	0.123	24%	0.236	C	C	.	.			trans	-119.2	124.4	170	-56.4	-64.5	0	0	0	109.1	R49 D88 N167 T168 I179 F193 Q195	R49-I90 PolarHBondContact NE-O 3.39Å; D88-I90 PolarHBondContact O-N 3.24Å; I90-N167 WeakPolarHBondContact CA-OD1 3.42Å; I90-T168 HydrophobicContact CG2-CG2 4.36Å; I90-I179 HydrophobicContact CG2-CD1 4.08Å; I90-F193 HydrophobicContact CB-CE2 3.89Å; I90-F193 HydrophobicContact CB-CZ 4.29Å; I90-F193 HydrophobicContact CG1-CE2 4.49Å; I90-F193 HydrophobicContact CG2-CE2 4Å; I90-Q195 HydrophobicContact CD1-CB 3.85Å; I90-Q195 HydrophobicContact CD1-CG 4.26Å; I90-Q195 HydrophobicContact CG1-CB 4.06Å
91	G	98.3	Very high	97.6	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	142.8	-152.7	178.7	0	0	0	0	0	112.4	F89 N166 N167	F89-G91 VanDerWaalsContact CE1-C 3.48Å; G91-N166 WeakPolarHBondContact O-CA 3.39Å; G91-N167 PolarHBondContact N-OD1 3.29Å; G91-N167 PolarHBondContact O-N 2.88Å; G91-N167 PolarHBondContact O-OD1 2.96Å
92	W	98.8	Very high	97.5	Very high	37 Å²	37	44 Å²	44	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.5	-178.8	-67.4	95.1	0	0	0	112.6	D44 F53 F89 Y123 V125 A164 V165 N166	D44-W92 HydrophobicContact CB-CB 4.37Å; D44-W92 WeakPolarHBondContact CB-O 3.22Å; D44-W92 PolarHBondContact N-O 3.13Å; F53-W92 HydrophobicContact CE2-CB 4.47Å; F53-W92 AromaticContact CE2-CD1 3.97Å; F53-W92 AromaticContact CE2-CD2 3.46Å; F53-W92 HydrophobicContact CE2-CD2 3.46Å; F53-W92 VanDerWaalsContact CE2-CD2 3.46Å; F53-W92 AromaticContact CE2-CE2 3.48Å; F53-W92 VanDerWaalsContact CE2-CE2 3.48Å; F53-W92 AromaticContact CE2-CE3 3.9Å; F53-W92 HydrophobicContact CE2-CE3 3.9Å; F53-W92 AromaticContact CE2-CG 3.75Å; F53-W92 HydrophobicContact CE2-CG 3.75Å; F53-W92 HydrophobicContact CE2-CH2 4.25Å; F53-W92 AromaticContact CE2-CZ2 3.91Å; F53-W92 HydrophobicContact CE2-CZ2 3.91Å; F53-W92 HydrophobicContact CE2-CZ3 4.29Å; F53-W92 AromaticContact CE2-NE1 3.78Å; F53-W92 AromaticContact CZ-CD2 3.87Å; F53-W92 HydrophobicContact CZ-CD2 3.87Å; F53-W92 AromaticContact CZ-CE2 3.88Å; F53-W92 AromaticContact CZ-CE3 3.85Å; F53-W92 HydrophobicContact CZ-CE3 3.85Å; F53-W92 AromaticContact CZ-CH2 3.78Å; F53-W92 HydrophobicContact CZ-CH2 3.78Å; F53-W92 AromaticContact CZ-CZ2 3.86Å; F53-W92 HydrophobicContact CZ-CZ2 3.86Å; F53-W92 AromaticContact CZ-CZ3 3.82Å; F53-W92 HydrophobicContact CZ-CZ3 3.82Å; F89-W92 WeakPolarHBondContact CE1-O 3.38Å; W92-Y123 AromaticContact CH2-CD1 3.51Å; W92-Y123 HydrophobicContact CH2-CD1 3.51Å; W92-Y123 HydrophobicContact CH2-CE1 4.04Å; W92-Y123 HydrophobicContact CZ2-CD1 4.38Å; W92-Y123 HydrophobicContact CZ3-CD1 4.21Å; W92-V125 HydrophobicContact CH2-CG2 4.02Å; W92-V125 HydrophobicContact CZ3-CG2 4.18Å; W92-A164 HydrophobicContact CE3-CB 3.8Å; W92-A164 HydrophobicContact CZ3-CB 4.03Å; W92-V165 WeakPolarHBondContact CA-O 3.49Å; W92-N166 VanDerWaalsContact CD1-ND2 3.29Å; W92-N166 HydrophobicContact CD2-CB 3.62Å; W92-N166 HydrophobicContact CE3-CB 3.57Å; W92-N166 HydrophobicContact CG-CB 4.31Å; W92-N166 HydrophobicContact CH2-CB 3.98Å; W92-N166 HydrophobicContact CZ2-CB 3.98Å; W92-N166 HydrophobicContact CZ3-CB 3.74Å; W92-N166 PolarHBondContact NE1-ND2 3.16Å
93	V	98.9	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.7	165.5	-56.8	0	0	0	0	110	F41 A43 Y77 F89 Y95 A164 V165	F41-V93 HydrophobicContact CE2-CB 3.59Å; F41-V93 HydrophobicContact CE2-CG1 4.14Å; F41-V93 HydrophobicContact CE2-CG2 3.87Å; F41-V93 HydrophobicContact CZ-CB 3.71Å; F41-V93 HydrophobicContact CZ-CG1 3.76Å; F41-V93 HydrophobicContact CZ-CG2 4.34Å; A43-V93 HydrophobicContact CB-CG1 3.98Å; Y77-V93 HydrophobicContact CD1-CG1 4.38Å; Y77-V93 HydrophobicContact CD1-CG2 4.1Å; Y77-V93 HydrophobicContact CE1-CB 4.45Å; Y77-V93 HydrophobicContact CE1-CG1 3.84Å; Y77-V93 HydrophobicContact CE1-CG2 3.84Å; F89-V93 HydrophobicContact CD1-CG1 3.71Å; F89-V93 HydrophobicContact CE1-CG1 3.63Å; V93-Y95 HydrophobicContact CG2-CD2 4.36Å; V93-Y95 HydrophobicContact CG2-CE2 3.75Å; V93-A164 CarbonylContact O-C 3.58Å; V93-A164 WeakPolarHBondContact O-CA 3.46Å; V93-V165 HydrophobicContact CG2-CB 3.87Å; V93-V165 HydrophobicContact CG2-CG1 4.35Å; V93-V165 PolarHBondContact N-O 3.29Å; V93-V165 PolarHBondContact O-N 2.85Å
94	W	98.9	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127	-174.1	-65.3	74.6	0	0	0	109.5	F41 R42 F53 W57 Y58 L62 W127 T162 I163 A164	F41-W94 CarbonylContact C-O 3.49Å; F41-W94 VanDerWaalsContact CA-O 3.24Å; F41-W94 WeakPolarHBondContact CA-O 3.48Å; R42-W94 PolarHBondContact N-O 2.71Å; R42-W94 PolarHBondContact O-N 3.35Å; F53-W94 HydrophobicContact CD1-CH2 4.19Å; F53-W94 HydrophobicContact CD1-CZ2 4.39Å; F53-W94 HydrophobicContact CD2-CH2 4.42Å; F53-W94 AromaticContact CD2-CZ2 3.82Å; F53-W94 HydrophobicContact CD2-CZ2 3.82Å; F53-W94 HydrophobicContact CE1-CH2 4.04Å; F53-W94 HydrophobicContact CE1-CZ2 4.27Å; F53-W94 HydrophobicContact CE2-CH2 4.25Å; F53-W94 AromaticContact CE2-CZ2 3.65Å; F53-W94 HydrophobicContact CE2-CZ2 3.65Å; F53-W94 HydrophobicContact CG-CH2 4.39Å; F53-W94 HydrophobicContact CG-CZ2 4.19Å; F53-W94 HydrophobicContact CZ-CH2 4.06Å; F53-W94 AromaticContact CZ-CZ2 3.9Å; F53-W94 HydrophobicContact CZ-CZ2 3.9Å; W57-W94 AromaticContact CE3-CD1 3.67Å; W57-W94 AromaticContact CE3-CD2 3.98Å; W57-W94 HydrophobicContact CE3-CD2 3.98Å; W57-W94 AromaticContact CE3-CE2 3.87Å; W57-W94 AromaticContact CE3-CG 3.87Å; W57-W94 HydrophobicContact CE3-CG 3.87Å; W57-W94 AromaticContact CE3-NE1 3.65Å; W57-W94 AromaticContact CZ3-CD1 3.59Å; W57-W94 HydrophobicContact CZ3-CG 4.2Å; W57-W94 AromaticContact CZ3-NE1 3.7Å; Y58-W94 AromaticContact CD1-CH2 3.85Å; Y58-W94 HydrophobicContact CD1-CH2 3.85Å; Y58-W94 AromaticContact CD1-CZ3 3.95Å; Y58-W94 HydrophobicContact CD1-CZ3 3.95Å; L62-W94 HydrophobicContact CD1-CB 3.93Å; L62-W94 HydrophobicContact CD1-CG 4.43Å; L62-W94 HydrophobicContact CD2-CB 3.99Å; W94-W127 HydrophobicContact CE3-CZ3 4.48Å; W94-W127 AromaticContact CH2-CH2 3.77Å; W94-W127 HydrophobicContact CH2-CH2 3.77Å; W94-W127 HydrophobicContact CH2-CZ2 4.44Å; W94-W127 HydrophobicContact CH2-CZ3 4.13Å; W94-W127 HydrophobicContact CZ3-CE3 4.33Å; W94-W127 AromaticContact CZ3-CH2 3.79Å; W94-W127 HydrophobicContact CZ3-CH2 3.79Å; W94-W127 AromaticContact CZ3-CZ3 3.68Å; W94-W127 HydrophobicContact CZ3-CZ3 3.68Å; W94-T162 HydrophobicContact CE3-CG2 3.87Å; W94-T162 HydrophobicContact CZ3-CG2 4.29Å; W94-I163 WeakPolarHBondContact CA-O 3.39Å; W94-A164 HydrophobicContact CD2-CB 3.89Å; W94-A164 HydrophobicContact CE3-CB 3.85Å; W94-A164 HydrophobicContact CH2-CB 3.94Å; W94-A164 HydrophobicContact CZ2-CB 3.99Å; W94-A164 HydrophobicContact CZ3-CB 3.87Å
95	Y	98.9	Very high	97.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.8	172.1	-70.5	-101.1	0	0	0	109.1	W39 A40 F41 M71 V73 V93 T162 I163 V165 I207	W39-Y95 HydrophobicContact CB-CD1 3.98Å; A40-Y95 CarbonylContact O-C 3.58Å; A40-Y95 WeakPolarHBondContact O-CA 3.42Å; F41-Y95 AromaticContact CD2-CD1 3.99Å; F41-Y95 HydrophobicContact CD2-CD1 3.99Å; F41-Y95 HydrophobicContact CD2-CD2 4.02Å; F41-Y95 AromaticContact CD2-CE1 3.65Å; F41-Y95 HydrophobicContact CD2-CE1 3.65Å; F41-Y95 AromaticContact CD2-CE2 3.66Å; F41-Y95 HydrophobicContact CD2-CE2 3.66Å; F41-Y95 HydrophobicContact CD2-CG 4.16Å; F41-Y95 AromaticContact CD2-CZ 3.45Å; F41-Y95 VanDerWaalsContact CD2-CZ 3.45Å; F41-Y95 HydrophobicContact CE2-CD2 4.27Å; F41-Y95 HydrophobicContact CE2-CE1 4.18Å; F41-Y95 AromaticContact CE2-CE2 3.56Å; F41-Y95 HydrophobicContact CE2-CE2 3.56Å; F41-Y95 AromaticContact CE2-CZ 3.5Å; M71-Y95 HydrophobicContact CB-CD1 4.42Å; M71-Y95 HydrophobicContact CB-CE1 3.85Å; M71-Y95 HydrophobicContact CG-CE1 3.51Å; V73-Y95 HydrophobicContact CG2-CD1 3.96Å; V73-Y95 HydrophobicContact CG2-CE1 3.98Å; V93-Y95 HydrophobicContact CG2-CD2 4.36Å; V93-Y95 HydrophobicContact CG2-CE2 3.75Å; Y95-T162 CarbonylContact O-C 3.54Å; Y95-T162 VanDerWaalsContact O-CA 3.28Å; Y95-T162 WeakPolarHBondContact O-CA 3.38Å; Y95-I163 PolarHBondContact N-O 3.34Å; Y95-I163 PolarHBondContact O-N 3.3Å; Y95-V165 HydrophobicContact CD2-CG2 4.33Å; Y95-I207 HydrophobicContact CD1-CD1 4.05Å; Y95-I207 HydrophobicContact CD2-CD1 3.96Å; Y95-I207 HydrophobicContact CD2-CG1 4.17Å; Y95-I207 HydrophobicContact CE2-CD1 4.46Å; Y95-I207 HydrophobicContact CE2-CG1 4.21Å; Y95-I207 HydrophobicContact CG-CD1 3.74Å; Y95-I207 HydrophobicContact CG-CG1 4.36Å
96	E	98.9	Very high	97.1	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.2	171.5	-177.4	169.7	90.9	0	0	112.1	W39 A40 R61 L62 R160 I161 T162	W39-E96 VanDerWaalsContact CE3-C 3.48Å; A40-E96 HydrophobicContact CB-CB 4.43Å; A40-E96 PolarHBondContact N-O 2.91Å; A40-E96 PolarHBondContact O-N 2.72Å; R61-E96 VanDerWaalsContact CA-OE1 3.28Å; R61-E96 WeakPolarHBondContact CA-OE1 3.26Å; L62-E96 HydrophobicContact CB-CB 3.96Å; L62-E96 HydrophobicContact CD2-CB 4.26Å; L62-E96 PolarHBondContact N-OE1 3.12Å; E96-R160 HydrophobicContact CG-CG 3.89Å; E96-R160 VanDerWaalsContact OE2-CD 3.25Å; E96-R160 WeakPolarHBondContact OE2-CD 3.34Å; E96-R160 WeakPolarHBondContact OE2-CG 3.47Å; E96-R160 IonicContact OE2-CZ 2.66Å; E96-R160 IonicContact OE2-NE 3.31Å; E96-R160 IonicContact OE2-NH1 3.97Å; E96-R160 PolarHBondContact OE2-NH1 3.46Å; E96-I161 CarbonylContact C-O 3.54Å; E96-I161 VanDerWaalsContact CA-O 3.3Å; E96-I161 WeakPolarHBondContact CA-O 3.24Å; E96-T162 HydrophobicContact CB-CG2 4.48Å; E96-T162 PolarHBondContact OE2-OG1 2.91Å
97	R	98.6	Very high	96.8	Very high	57 Å²	57	39.8 Å²	39.8	22%	0.215	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.3	171.1	-177.9	169.4	179.6	151.3	-13.6	111.3	L35 N36 L38 W39 V99 I161	L35-R97 VanDerWaalsContact O-CZ 3.27Å; L35-R97 PolarHBondContact O-NH1 3.5Å; N36-R97 VanDerWaalsContact O-CZ 3.23Å; N36-R97 PolarHBondContact O-NH1 2.57Å; N36-R97 PolarHBondContact O-NH2 3.38Å; L38-R97 PolarHBondContact O-NH1 2.91Å; W39-R97 HydrophobicContact CD2-CB 3.45Å; W39-R97 VanDerWaalsContact CD2-CB 3.45Å; W39-R97 HydrophobicContact CD2-CG 4.4Å; W39-R97 HydrophobicContact CE3-CB 3.52Å; W39-R97 HydrophobicContact CG-CB 4Å; W39-R97 HydrophobicContact CH2-CB 4.04Å; W39-R97 HydrophobicContact CZ2-CB 3.96Å; W39-R97 HydrophobicContact CZ3-CB 3.82Å; R97-V99 HydrophobicContact CG-CG2 3.92Å; R97-I161 PolarHBondContact N-O 3.41Å; R97-I161 PolarHBondContact O-N 2.98Å
98	E	97.9	Very high	96.5	Very high	78 Å²	78	40.8 Å²	40.8	36%	0.364	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.7	168.6	-73.9	-166.9	162.8	0	0	110	R61 P158 C159 R160	R61-E98 IonicContact CZ-OE1 3.58Å; R61-E98 IonicContact NE-OE1 2.86Å; R61-E98 PolarHBondContact NE-OE1 2.9Å; R61-E98 IonicContact NE-OE2 3.22Å; R61-E98 IonicContact NH2-OE1 2.68Å; R61-E98 PolarHBondContact NH2-OE1 3.23Å; R61-E98 IonicContact NH2-OE2 3.87Å; E98-P158 HydrophobicContact CB-CB 3.93Å; E98-P158 HydrophobicContact CB-CG 4.23Å; E98-P158 HydrophobicContact CG-CB 4.5Å; E98-P158 HydrophobicContact CG-CG 4.41Å; E98-P158 WeakPolarHBondContact OE2-CG 3.36Å; E98-C159 CarbonylContact C-O 3.52Å; E98-C159 WeakPolarHBondContact CA-O 3.43Å; E98-R160 HydrophobicContact CG-CB 4.16Å; E98-R160 HydrophobicContact CG-CG 4.1Å
99	V	95.9	Very high	96.1	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126	-173.2	-175.8	0	0	0	0	110.1	K33 L35 R97 V101 C159 I161 L213	K33-V99 HydrophobicContact CD-CG1 4.2Å; L35-V99 HydrophobicContact CD1-CG2 4.02Å; L35-V99 HydrophobicContact CD2-CB 4.3Å; L35-V99 HydrophobicContact CD2-CG1 3.59Å; L35-V99 HydrophobicContact CD2-CG2 3.72Å; L35-V99 HydrophobicContact CG-CG2 4.4Å; R97-V99 HydrophobicContact CG-CG2 3.92Å; V99-V101 PolarHBondContact O-N 3.38Å; V99-C159 PolarHBondContact N-O 3.36Å; V99-C159 WeakPolarHBondContact O-CB 3.46Å; V99-C159 PolarHBondContact O-N 3.08Å; V99-I161 HydrophobicContact CG2-CD1 4.25Å; V99-L213 HydrophobicContact CG1-CD1 4.48Å
100	T	95.1	Very high	95.8	Very high	92 Å²	92	42.8 Å²	42.8	56%	0.564	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-75.3	116.1	166.4	-52.2	0	0	0	0	109.5	K33	K33-T100 VanDerWaalsContact CE-O 3.25Å; K33-T100 WeakPolarHBondContact CE-O 3.35Å
101	V	95.7	Very high	95.6	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-86.7	134.3	175.9	-179.9	0	0	0	0	108.7	V99 T103 W105 I106 L151 C159 L213	V99-V101 PolarHBondContact O-N 3.38Å; V101-T103 PolarHBondContact O-N 2.86Å; V101-W105 HydrophobicContact CG1-CB 3.81Å; V101-W105 HydrophobicContact CG1-CD2 4.32Å; V101-W105 HydrophobicContact CG1-CE3 3.91Å; V101-W105 HydrophobicContact CG1-CG 4.35Å; V101-I106 HydrophobicContact CB-CD1 4.18Å; V101-I106 HydrophobicContact CB-CG1 4.36Å; V101-I106 HydrophobicContact CG1-CD1 4.41Å; V101-I106 HydrophobicContact CG1-CG1 4.08Å; V101-L151 HydrophobicContact CG1-CD1 4.15Å; V101-L151 HydrophobicContact CG2-CD2 4.11Å; V101-C159 HydrophobicContact CG2-CB 3.85Å; V101-L213 HydrophobicContact CG2-CD1 3.93Å
102	P	95.8	Very high	95.6	Very high	52 Å²	52	43.7 Å²	43.7	34%	0.338	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-53.7	134.6	179	-26.4	34.9	0	0	0	112	R104 W105	P102-R104 PolarHBondContact O-N 3.08Å; P102-W105 HydrophobicContact CB-CG 4.28Å; P102-W105 HydrophobicContact CG-CD2 4.29Å; P102-W105 HydrophobicContact CG-CG 4.47Å; P102-W105 WeakPolarHBondContact O-CB 3.48Å; P102-W105 PolarHBondContact O-N 2.96Å
103	T	95.2	Very high	95.5	Very high	75 Å²	75	42 Å²	42	46%	0.46	23%	0.225	S	C	.	.	H	α-helix	trans	-49.9	-40.1	-176.5	-53.8	0	0	0	0	112.5	V101 W105 I106 T107 P155	V101-T103 PolarHBondContact O-N 2.86Å; T103-W105 VanDerWaalsContact C-N 3.29Å; T103-W105 PolarHBondContact O-N 2.8Å; T103-I106 WeakPolarHBondContact O-CB 3.32Å; T103-I106 PolarHBondContact O-N 3.28Å; T103-T107 HydrophobicContact CG2-CG2 3.89Å; T103-T107 PolarHBondContact O-N 3.04Å; T103-T107 PolarHBondContact O-OG1 3.2Å; T103-T107 VanDerWaalsContact O-OG1 3.09Å; T103-P155 HydrophobicContact CG2-CB 4.02Å; T103-P155 HydrophobicContact CG2-CG 4.09Å; T103-P155 WeakPolarHBondContact OG1-CB 3.37Å
104	R	95.1	Very high	95.5	Very high	144 Å²	144	42 Å²	42	54%	0.543	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-41.3	178.4	-176	-178.5	175.9	175.9	-1.5	112.7	E31 P102 I106 T107 D108 L111	E31-R104 IonicContact OE1-NH1 3.54Å; P102-R104 PolarHBondContact O-N 3.08Å; R104-I106 PolarHBondContact O-N 2.86Å; R104-T107 PolarHBondContact O-N 3.43Å; R104-D108 HydrophobicContact CG-CB 4.35Å; R104-D108 IonicContact NE-OD2 2.82Å; R104-D108 WeakPolarHBondContact O-CB 3.18Å; R104-D108 PolarHBondContact O-N 2.95Å; R104-L111 HydrophobicContact CG-CD1 4.4Å
105	W	95.8	Very high	95.5	Very high	9 Å²	9	42.1 Å²	42.1	3%	0.034	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-18.4	-178.3	-63.1	14.9	0	0	0	112.8	E31 K33 V101 P102 T103 V113 L213 T215	E31-W105 HydrophobicContact CB-CZ2 3.53Å; E31-W105 PolarHBondContact OE2-NE1 2.77Å; K33-W105 HydrophobicContact CB-CH2 3.8Å; K33-W105 HydrophobicContact CB-CZ3 4.36Å; V101-W105 HydrophobicContact CG1-CB 3.81Å; V101-W105 HydrophobicContact CG1-CD2 4.32Å; V101-W105 HydrophobicContact CG1-CE3 3.91Å; V101-W105 HydrophobicContact CG1-CG 4.35Å; P102-W105 HydrophobicContact CB-CG 4.28Å; P102-W105 HydrophobicContact CG-CD2 4.29Å; P102-W105 HydrophobicContact CG-CG 4.47Å; P102-W105 WeakPolarHBondContact O-CB 3.48Å; P102-W105 PolarHBondContact O-N 2.96Å; T103-W105 VanDerWaalsContact C-N 3.29Å; T103-W105 PolarHBondContact O-N 2.8Å; W105-V113 HydrophobicContact CB-CG2 4.15Å; W105-V113 HydrophobicContact CE3-CG1 3.86Å; W105-V113 HydrophobicContact CE3-CG2 4.48Å; W105-V113 HydrophobicContact CZ3-CG1 4.23Å; W105-L213 HydrophobicContact CH2-CB 4.35Å; W105-L213 HydrophobicContact CZ3-CB 3.67Å; W105-T215 HydrophobicContact CD2-CG2 3.25Å; W105-T215 HydrophobicContact CE3-CG2 3.42Å; W105-T215 VanDerWaalsContact CE3-CG2 3.42Å; W105-T215 HydrophobicContact CG-CG2 3.77Å; W105-T215 HydrophobicContact CH2-CG2 3.84Å; W105-T215 HydrophobicContact CZ2-CG2 3.72Å; W105-T215 HydrophobicContact CZ3-CG2 3.69Å
106	I	93.3	Very high	95.5	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-94.9	-39.1	-179.1	-58.6	169.7	0	0	0	110.8	V101 T103 R104 R152 K153 P155	V101-I106 HydrophobicContact CB-CD1 4.18Å; V101-I106 HydrophobicContact CB-CG1 4.36Å; V101-I106 HydrophobicContact CG1-CD1 4.41Å; V101-I106 HydrophobicContact CG1-CG1 4.08Å; T103-I106 WeakPolarHBondContact O-CB 3.32Å; T103-I106 PolarHBondContact O-N 3.28Å; R104-I106 PolarHBondContact O-N 2.86Å; I106-R152 VanDerWaalsContact CG2-O 3.24Å; I106-R152 WeakPolarHBondContact CG2-O 3.44Å; I106-K153 HydrophobicContact CG2-CD 3.88Å; I106-K153 PolarHBondContact O-NZ 2.82Å; I106-P155 HydrophobicContact CD1-CB 4.21Å
107	T	91.9	Very high	95.5	Very high	89 Å²	89	41.8 Å²	41.8	55%	0.546	22%	0.224	S	C	.	.	H	α-helix	trans	-89	-25.6	-174.9	57.7	0	0	0	0	113.6	T103 R104 D109	T103-T107 HydrophobicContact CG2-CG2 3.89Å; T103-T107 PolarHBondContact O-N 3.04Å; T103-T107 PolarHBondContact O-OG1 3.2Å; T103-T107 VanDerWaalsContact O-OG1 3.09Å; R104-T107 PolarHBondContact O-N 3.43Å; T107-D109 PolarHBondContact O-N 3.08Å
108	D	91.8	Very high	95.5	Very high	58 Å²	58	39.3 Å²	39.3	31%	0.31	22%	0.217	S	C	.	.			trans	-86.8	96.4	178.6	-171.3	-13.6	0	0	0	110	R104 G110 L111	R104-D108 HydrophobicContact CG-CB 4.35Å; R104-D108 IonicContact NE-OD2 2.82Å; R104-D108 WeakPolarHBondContact O-CB 3.18Å; R104-D108 PolarHBondContact O-N 2.95Å; D108-G110 PolarHBondContact O-N 2.81Å; D108-G110 WeakPolarHBondContact OD1-CA 3.18Å; D108-G110 PolarHBondContact OD1-N 3.41Å; D108-L111 HydrophobicContact CB-CD1 3.97Å; D108-L111 HydrophobicContact CB-CG 4.11Å; D108-L111 PolarHBondContact O-N 2.82Å; D108-L111 VanDerWaalsContact O-N 3.11Å
109	D	88.3	Confident	95.5	Very high	108 Å²	108	35.7 Å²	35.7	58%	0.578	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-3.8	177.6	-67.2	-35	0	0	0	112.9	T107 K153 K218	T107-D109 PolarHBondContact O-N 3.08Å; D109-K153 IonicContact OD1-NZ 3.65Å; D109-K153 PolarHBondContact OD1-NZ 2.78Å; D109-K218 WeakPolarHBondContact O-CE 3.48Å; D109-K218 PolarHBondContact O-NZ 3Å
110	G	90.7	Very high	95.5	Very high	34 Å²	34	35.3 Å²	35.3	35%	0.351	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.5	171.5	0	0	0	0	0	114.1	D108 K218	D108-G110 PolarHBondContact O-N 2.81Å; D108-G110 WeakPolarHBondContact OD1-CA 3.18Å; D108-G110 PolarHBondContact OD1-N 3.41Å; G110-K218 PolarHBondContact O-N 3.04Å; G110-K218 VanDerWaalsContact O-N 3.07Å
111	L	94.6	Very high	95.4	Very high	27 Å²	27	31.1 Å²	31.1	14%	0.141	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.2	-178.9	-65.6	176.9	0	0	0	112.2	R104 D108	R104-L111 HydrophobicContact CG-CD1 4.4Å; D108-L111 HydrophobicContact CB-CD1 3.97Å; D108-L111 HydrophobicContact CB-CG 4.11Å; D108-L111 PolarHBondContact O-N 2.82Å; D108-L111 VanDerWaalsContact O-N 3.11Å
112	R	96.8	Very high	95.4	Very high	19 Å²	19	31 Å²	31	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.8	162.1	173.7	-177.8	178.5	-102.7	-5.8	107.3	V114 E144 E146 Y214 T215 T216 Y220	R112-V114 HydrophobicContact CG-CG2 3.92Å; R112-V114 VanDerWaalsContact NH1-CG2 3.28Å; R112-E144 IonicContact NH2-OE1 3.92Å; R112-E144 PolarHBondContact NH2-OE1 2.8Å; R112-E146 HydrophobicContact CG-CG 4.22Å; R112-E146 IonicContact CZ-OE1 3.58Å; R112-E146 IonicContact NE-OE1 3.4Å; R112-E146 PolarHBondContact NE-OE1 2.82Å; R112-E146 IonicContact NE-OE2 3.47Å; R112-E146 IonicContact NH2-OE1 3.99Å; R112-E146 PolarHBondContact NH2-OE1 3.16Å; R112-Y214 PolarHBondContact NH1-OH 2.8Å; R112-T215 WeakPolarHBondContact O-CA 3.14Å; R112-T216 WeakPolarHBondContact CD-OG1 3.37Å; R112-T216 PolarHBondContact N-O 3.1Å; R112-T216 PolarHBondContact O-N 3.47Å; R112-Y220 PolarHBondContact NE-OH 3.14Å
113	V	98.2	Very high	95.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.5	176.3	-171	0	0	0	0	109.3	W105 I147 G148 L151 T215	W105-V113 HydrophobicContact CB-CG2 4.15Å; W105-V113 HydrophobicContact CE3-CG1 3.86Å; W105-V113 HydrophobicContact CE3-CG2 4.48Å; W105-V113 HydrophobicContact CZ3-CG1 4.23Å; V113-I147 HydrophobicContact CG1-CG1 4.18Å; V113-I147 PolarHBondContact O-N 2.93Å; V113-G148 PolarHBondContact O-N 3.28Å; V113-L151 HydrophobicContact CB-CD1 4.1Å; V113-L151 HydrophobicContact CG1-CD1 4.03Å; V113-L151 HydrophobicContact CG2-CD1 4Å; V113-T215 HydrophobicContact CG2-CG2 4.17Å
114	V	98.6	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.4	-172.8	-171.7	0	0	0	0	110.1	R112 E144 A145 E146 L213 Y214	R112-V114 HydrophobicContact CG-CG2 3.92Å; R112-V114 VanDerWaalsContact NH1-CG2 3.28Å; V114-E144 HydrophobicContact CG1-CB 3.79Å; V114-E144 HydrophobicContact CG1-CG 4.18Å; V114-A145 WeakPolarHBondContact CA-O 3.33Å; V114-A145 WeakPolarHBondContact CG1-O 3.29Å; V114-E146 HydrophobicContact CG2-CG 4.32Å; V114-L213 CarbonylContact O-C 3.51Å; V114-L213 VanDerWaalsContact O-CA 3.25Å; V114-L213 WeakPolarHBondContact O-CA 3.46Å; V114-Y214 HydrophobicContact CB-CD1 3.8Å; V114-Y214 HydrophobicContact CB-CD2 4.32Å; V114-Y214 HydrophobicContact CB-CE1 3.42Å; V114-Y214 VanDerWaalsContact CB-CE1 3.42Å; V114-Y214 HydrophobicContact CB-CE2 3.97Å; V114-Y214 HydrophobicContact CB-CG 4.24Å; V114-Y214 HydrophobicContact CG1-CD1 4.12Å; V114-Y214 HydrophobicContact CG1-CE1 3.36Å; V114-Y214 HydrophobicContact CG2-CD2 4.38Å; V114-Y214 HydrophobicContact CG2-CE1 4.1Å; V114-Y214 HydrophobicContact CG2-CE2 3.79Å; V114-Y214 PolarHBondContact N-O 3.24Å; V114-Y214 PolarHBondContact O-N 3.12Å
115	L	98.8	Very high	95.9	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.5	165.8	173	62.3	0	0	0	108.7	L35 V126 V128 E144 A145 I147 I161 V211 L213	L35-L115 HydrophobicContact CD1-CD1 4.23Å; L115-V126 HydrophobicContact CD2-CG1 3.6Å; L115-V128 HydrophobicContact CD2-CG2 4.08Å; L115-E144 CarbonylContact O-C 3.49Å; L115-E144 WeakPolarHBondContact O-CA 3.46Å; L115-E144 WeakPolarHBondContact O-CB 3.38Å; L115-A145 PolarHBondContact N-O 2.77Å; L115-A145 PolarHBondContact O-N 2.92Å; L115-I147 HydrophobicContact CB-CD1 4.19Å; L115-I147 HydrophobicContact CB-CG1 4.47Å; L115-I147 HydrophobicContact CB-CG2 3.9Å; L115-I161 HydrophobicContact CD1-CD1 4.12Å; L115-I161 HydrophobicContact CD2-CD1 4.45Å; L115-I161 HydrophobicContact CD2-CG1 4.49Å; L115-I161 HydrophobicContact CD2-CG2 3.82Å; L115-V211 HydrophobicContact CD1-CG1 3.69Å; L115-L213 HydrophobicContact CB-CD2 3.84Å; L115-L213 HydrophobicContact CD1-CD2 3.71Å; L115-L213 HydrophobicContact CG-CD2 4.36Å
116	R	98.7	Very high	96	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.9	173.4	-179.8	-171	179.5	83.6	-8.1	110.1	M21 P142 E144 V211 L212 Y214 E383	M21-R116 PolarHBondContact SD-NH1 2.95Å; R116-P142 VanDerWaalsContact CZ-CB 3.44Å; R116-E144 HydrophobicContact CB-CB 4.18Å; R116-E144 HydrophobicContact CG-CB 4.43Å; R116-E144 IonicContact NH1-OE2 3.73Å; R116-V211 WeakPolarHBondContact O-CA 3.35Å; R116-L212 HydrophobicContact CB-CD1 4.21Å; R116-L212 HydrophobicContact CB-CG 4.24Å; R116-L212 PolarHBondContact N-O 3.16Å; R116-L212 PolarHBondContact O-N 3.08Å; R116-Y214 HydrophobicContact CB-CD1 4.32Å; R116-Y214 HydrophobicContact CB-CE1 4.22Å; R116-E383 IonicContact CZ-OE2 3.91Å; R116-E383 IonicContact NE-OE2 3.92Å; R116-E383 IonicContact NH2-OE1 2.96Å; R116-E383 PolarHBondContact NH2-OE1 2.93Å; R116-E383 IonicContact NH2-OE2 3.79Å; R116-E383 PolarHBondContact NH2-OE2 3.05Å
117	V	98.8	Very high	96.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.5	168.1	-179.5	0	0	0	0	107.3	A120 P142 F143 I163 I207 V211	V117-A120 HydrophobicContact CG1-CB 4.08Å; V117-P142 WeakPolarHBondContact O-CA 3.39Å; V117-F143 HydrophobicContact CB-CD1 4.44Å; V117-F143 HydrophobicContact CB-CD2 4.27Å; V117-F143 HydrophobicContact CB-CE1 3.96Å; V117-F143 HydrophobicContact CB-CE2 3.75Å; V117-F143 HydrophobicContact CB-CZ 3.59Å; V117-F143 HydrophobicContact CG1-CE1 3.9Å; V117-F143 HydrophobicContact CG1-CE2 4.32Å; V117-F143 HydrophobicContact CG1-CZ 3.65Å; V117-F143 HydrophobicContact CG2-CD2 4.48Å; V117-F143 HydrophobicContact CG2-CE2 3.77Å; V117-F143 HydrophobicContact CG2-CZ 3.94Å; V117-F143 PolarHBondContact N-O 2.88Å; V117-F143 PolarHBondContact O-N 2.84Å; V117-I163 HydrophobicContact CG2-CD1 3.93Å; V117-I207 HydrophobicContact CG1-CG2 4.35Å; V117-V211 HydrophobicContact CG1-CG2 4.37Å; V117-V211 HydrophobicContact CG2-CG1 4.31Å; V117-V211 HydrophobicContact CG2-CG2 4.46Å
118	G	98.3	Very high	96.6	Very high	5 Å²	5	17 Å²	17	5%	0.052	9%	0.093	C	C	.	.	S	Bend	trans	-65.2	-39.2	-178.9	0	0	0	0	0	113	P142 P210	G118-P142 WeakPolarHBondContact O-CA 3.43Å; G118-P210 PolarHBondContact N-O 2.77Å
119	S	97.9	Very high	96.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	9%	0.086	C	C	.	.			trans	-170.8	151.2	166.7	69.1	0	0	0	0	110.6	G139 H208 R209	S119-G139 WeakPolarHBondContact CB-O 3.17Å; S119-H208 PolarHBondContact O-N 2.98Å; S119-R209 WeakPolarHBondContact OG-CD 3.49Å; S119-R209 WeakPolarHBondContact OG-CG 3.44Å
120	A	96.9	Very high	97.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.			trans	-149.7	140.4	170.7	0	0	0	0	0	109.7	V117 S124 G138 F143 V165 G206 I207	V117-A120 HydrophobicContact CG1-CB 4.08Å; A120-S124 VanDerWaalsContact CB-OG 3.25Å; A120-S124 WeakPolarHBondContact CB-OG 3.28Å; A120-G138 VanDerWaalsContact O-O 3.1Å; A120-F143 HydrophobicContact CB-CE1 4.41Å; A120-F143 HydrophobicContact CB-CZ 4.36Å; A120-V165 HydrophobicContact CB-CG2 4.17Å; A120-G206 WeakPolarHBondContact CA-O 3.28Å; A120-I207 HydrophobicContact CB-CG1 4.24Å
121	H	93	Very high	97.7	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.019	6%	0.063	C	C	.	.	S	Bend	trans	-103.7	129.6	-167.4	-173.9	-50.8	0	0	0	114	V165 N166 N203 Y204 A205 G206 H208	H121-V165 WeakPolarHBondContact O-CG1 3.3Å; H121-N166 CarbonylContact C-O 3.56Å; H121-N203 PolarHBondContact CE1-OD1 3.36Å; H121-N203 PolarHBondContact NE2-OD1 3.46Å; H121-N203 VanDerWaalsContact NE2-OD1 3.1Å; H121-Y204 PolarHBondContact CD2-O 2.95Å; H121-A205 HydrophobicContact CB-CB 4.38Å; H121-G206 PolarHBondContact N-O 2.79Å; H121-H208 WeakPolarHBondContact CB-NE2 3.45Å
122	Y	95.1	Very high	97.9	Very high	5 Å²	5	16 Å²	16	2%	0.02	8%	0.078	C	C	.	.	S	Bend	cis	-107.5	-47.7	-10.3	175.2	-94.7	0	0	0	108.8	E137 G138 N166 L169 T173 L174 H418	Y122-E137 HydrophobicContact CD1-CG 4.26Å; Y122-E137 HydrophobicContact CE1-CG 3.41Å; Y122-E137 VanDerWaalsContact CE1-CG 3.41Å; Y122-G138 CarbonylContact O-C 3.48Å; Y122-G138 PolarHBondContact O-N 3.49Å; Y122-N166 WeakPolarHBondContact CA-O 3.11Å; Y122-N166 WeakPolarHBondContact CB-O 3.46Å; Y122-N166 PolarHBondContact N-O 3.39Å; Y122-L169 HydrophobicContact CD2-CD2 4.2Å; Y122-L169 HydrophobicContact CG-CD2 4.26Å; Y122-T173 HydrophobicContact CD1-CG2 3.8Å; Y122-T173 HydrophobicContact CE1-CG2 3.35Å; Y122-T173 VanDerWaalsContact OH-CA 3.24Å; Y122-T173 WeakPolarHBondContact OH-CA 3.29Å; Y122-L174 WeakPolarHBondContact CE2-O 3.33Å; Y122-L174 PolarHBondContact OH-N 3.07Å; Y122-L174 VanDerWaalsContact OH-N 3.09Å; Y122-H418 AromaticContact CZ-NE2 3.95Å; Y122-H418 PolarHBondContact OH-CD2 3.35Å; Y122-H418 PolarHBondContact OH-CE1 3.09Å; Y122-H418 VanDerWaalsContact OH-CE1 3.24Å; Y122-H418 PolarHBondContact OH-NE2 3.44Å
123	Y	98.5	Very high	97.9	Very high	68 Å²	68	16.9 Å²	16.9	27%	0.267	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.1	173.4	-167.6	-86.6	0	0	0	110.5	W92 V125 E135 H136 E137 N166	W92-Y123 AromaticContact CH2-CD1 3.51Å; W92-Y123 HydrophobicContact CH2-CD1 3.51Å; W92-Y123 HydrophobicContact CH2-CE1 4.04Å; W92-Y123 HydrophobicContact CZ2-CD1 4.38Å; W92-Y123 HydrophobicContact CZ3-CD1 4.21Å; Y123-V125 HydrophobicContact CD1-CG2 4.15Å; Y123-V125 HydrophobicContact CE1-CG2 3.68Å; Y123-E135 HydrophobicContact CE1-CB 4.5Å; Y123-E135 PolarHBondContact OH-OE1 2.93Å; Y123-E135 PolarHBondContact OH-OE2 2.85Å; Y123-H136 CarbonylContact C-O 3.52Å; Y123-H136 WeakPolarHBondContact CA-O 3.36Å; Y123-E137 HydrophobicContact CD2-CB 3.72Å; Y123-E137 HydrophobicContact CD2-CG 3.94Å; Y123-E137 HydrophobicContact CE2-CB 4.05Å; Y123-N166 PolarHBondContact N-O 3.12Å; Y123-N166 VanDerWaalsContact N-O 3.09Å; Y123-N166 PolarHBondContact O-N 3.1Å
124	S	98.5	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.2	-172.5	-63.9	0	0	0	0	111.7	A120 E135 H136 A164	A120-S124 VanDerWaalsContact CB-OG 3.25Å; A120-S124 WeakPolarHBondContact CB-OG 3.28Å; S124-E135 CarbonylContact O-C 3.52Å; S124-E135 WeakPolarHBondContact O-CA 3.06Å; S124-E135 WeakPolarHBondContact O-CB 3.39Å; S124-H136 PolarHBondContact N-O 2.92Å; S124-H136 PolarHBondContact O-N 3.05Å; S124-A164 CarbonylContact C-O 3.54Å; S124-A164 VanDerWaalsContact CA-O 3.28Å; S124-A164 WeakPolarHBondContact CA-O 3.42Å
125	V	98.8	Very high	97.9	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.042	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.4	172.6	-171	0	0	0	0	109.1	W92 Y123 W127 K132 E135 I163 A164	W92-V125 HydrophobicContact CH2-CG2 4.02Å; W92-V125 HydrophobicContact CZ3-CG2 4.18Å; Y123-V125 HydrophobicContact CD1-CG2 4.15Å; Y123-V125 HydrophobicContact CE1-CG2 3.68Å; V125-W127 HydrophobicContact CB-CE3 4.46Å; V125-W127 HydrophobicContact CB-CH2 3.41Å; V125-W127 VanDerWaalsContact CB-CH2 3.41Å; V125-W127 HydrophobicContact CB-CZ2 4.07Å; V125-W127 HydrophobicContact CB-CZ3 3.64Å; V125-W127 HydrophobicContact CG1-CD2 4.29Å; V125-W127 HydrophobicContact CG1-CE3 4.17Å; V125-W127 HydrophobicContact CG1-CH2 3.25Å; V125-W127 HydrophobicContact CG1-CZ2 3.36Å; V125-W127 HydrophobicContact CG1-CZ3 3.68Å; V125-W127 HydrophobicContact CG2-CH2 4.4Å; V125-W127 WeakPolarHBondContact O-CZ3 3.38Å; V125-K132 HydrophobicContact CG1-CD 4.04Å; V125-K132 HydrophobicContact CG1-CG 4.11Å; V125-E135 HydrophobicContact CG2-CB 4.35Å; V125-I163 WeakPolarHBondContact O-CA 3.1Å; V125-A164 PolarHBondContact N-O 3.33Å; V125-A164 PolarHBondContact O-N 2.85Å
126	V	98.8	Very high	97.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.7	-174.2	-173.7	0	0	0	0	111	L115 K132 V133 T134 F143 I163	L115-V126 HydrophobicContact CD2-CG1 3.6Å; V126-K132 WeakPolarHBondContact O-CA 3.41Å; V126-V133 HydrophobicContact CB-CG2 3.81Å; V126-V133 HydrophobicContact CG1-CG2 3.6Å; V126-V133 PolarHBondContact O-N 3.19Å; V126-T134 HydrophobicContact CB-CG2 4.08Å; V126-T134 HydrophobicContact CG2-CG2 4Å; V126-T134 PolarHBondContact N-O 3.48Å; V126-F143 HydrophobicContact CG2-CE2 3.7Å; V126-I163 HydrophobicContact CG1-CG1 4.2Å; V126-I163 HydrophobicContact CG2-CG1 4.26Å; V126-I163 HydrophobicContact CG2-CG2 4.27Å
127	W	98.8	Very high	97.8	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.03	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.8	171.8	-60.7	-103.9	0	0	0	111.5	F53 Y58 W94 V125 V131 K132 I161 T162 A164	F53-W127 HydrophobicContact CD1-CH2 4.46Å; F53-W127 HydrophobicContact CD1-CZ2 4.47Å; F53-W127 AromaticContact CE1-CH2 3.62Å; F53-W127 HydrophobicContact CE1-CH2 3.62Å; F53-W127 AromaticContact CE1-CZ2 3.95Å; F53-W127 HydrophobicContact CE1-CZ2 3.95Å; F53-W127 HydrophobicContact CZ-CH2 4.19Å; Y58-W127 HydrophobicContact CD1-CD2 4.4Å; Y58-W127 AromaticContact CD1-CE2 3.75Å; Y58-W127 HydrophobicContact CD1-CH2 4.3Å; Y58-W127 AromaticContact CD1-CZ2 3.7Å; Y58-W127 HydrophobicContact CD1-CZ2 3.7Å; Y58-W127 AromaticContact CD1-NE1 3.92Å; Y58-W127 AromaticContact CD2-CD1 3.46Å; Y58-W127 VanDerWaalsContact CD2-CD1 3.46Å; Y58-W127 HydrophobicContact CD2-CD2 4.45Å; Y58-W127 AromaticContact CD2-CE2 3.98Å; Y58-W127 HydrophobicContact CD2-CG 4.18Å; Y58-W127 AromaticContact CD2-NE1 3.34Å; Y58-W127 VanDerWaalsContact CD2-NE1 3.34Å; Y58-W127 HydrophobicContact CE1-CZ2 4.01Å; Y58-W127 AromaticContact CE2-NE1 3.65Å; Y58-W127 AromaticContact CG-CD1 3.75Å; Y58-W127 AromaticContact CG-CD2 3.97Å; Y58-W127 HydrophobicContact CG-CD2 3.97Å; Y58-W127 AromaticContact CG-CE2 3.61Å; Y58-W127 HydrophobicContact CG-CG 4.06Å; Y58-W127 HydrophobicContact CG-CZ2 4.08Å; Y58-W127 AromaticContact CG-NE1 3.49Å; W94-W127 HydrophobicContact CE3-CZ3 4.48Å; W94-W127 AromaticContact CH2-CH2 3.77Å; W94-W127 HydrophobicContact CH2-CH2 3.77Å; W94-W127 HydrophobicContact CH2-CZ2 4.44Å; W94-W127 HydrophobicContact CH2-CZ3 4.13Å; W94-W127 HydrophobicContact CZ3-CE3 4.33Å; W94-W127 AromaticContact CZ3-CH2 3.79Å; W94-W127 HydrophobicContact CZ3-CH2 3.79Å; W94-W127 AromaticContact CZ3-CZ3 3.68Å; W94-W127 HydrophobicContact CZ3-CZ3 3.68Å; V125-W127 HydrophobicContact CB-CE3 4.46Å; V125-W127 HydrophobicContact CB-CH2 3.41Å; V125-W127 VanDerWaalsContact CB-CH2 3.41Å; V125-W127 HydrophobicContact CB-CZ2 4.07Å; V125-W127 HydrophobicContact CB-CZ3 3.64Å; V125-W127 HydrophobicContact CG1-CD2 4.29Å; V125-W127 HydrophobicContact CG1-CE3 4.17Å; V125-W127 HydrophobicContact CG1-CH2 3.25Å; V125-W127 HydrophobicContact CG1-CZ2 3.36Å; V125-W127 HydrophobicContact CG1-CZ3 3.68Å; V125-W127 HydrophobicContact CG2-CH2 4.4Å; V125-W127 WeakPolarHBondContact O-CZ3 3.38Å; W127-V131 CarbonylContact C-O 2.93Å; W127-V131 WeakPolarHBondContact CA-O 3.48Å; W127-K132 VanDerWaalsContact CD1-CA 3.42Å; W127-K132 VanDerWaalsContact CD1-N 3.26Å; W127-I161 WeakPolarHBondContact O-CA 3.48Å; W127-T162 PolarHBondContact N-O 2.88Å; W127-T162 PolarHBondContact O-N 3.36Å; W127-A164 HydrophobicContact CH2-CB 3.92Å; W127-A164 HydrophobicContact CZ3-CB 3.62Å
128	V	98.6	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.9	169.1	178	0	0	0	0	108.4	L115 G130 V131 V133 I147 L150 C159 R160 I161	L115-V128 HydrophobicContact CD2-CG2 4.08Å; V128-G130 PolarHBondContact O-N 3.33Å; V128-G130 VanDerWaalsContact O-N 3.09Å; V128-V131 PolarHBondContact N-O 2.83Å; V128-V131 PolarHBondContact O-N 2.96Å; V128-V133 HydrophobicContact CB-CG1 3.95Å; V128-V133 HydrophobicContact CG2-CG1 3.9Å; V128-V133 HydrophobicContact CG2-CG2 4.16Å; V128-I147 HydrophobicContact CG2-CB 4.36Å; V128-I147 HydrophobicContact CG2-CD1 4.48Å; V128-I147 HydrophobicContact CG2-CG2 3.81Å; V128-L150 HydrophobicContact CB-CD1 4.24Å; V128-L150 HydrophobicContact CG1-CB 4.13Å; V128-C159 VanDerWaalsContact CG1-SG 3.51Å; V128-R160 CarbonylContact C-O 3.57Å; V128-R160 WeakPolarHBondContact CA-O 3.5Å; V128-I161 HydrophobicContact CG2-CG1 4.41Å
129	N	97.8	Very high	97.2	Very high	30 Å²	30	26.2 Å²	26.2	16%	0.16	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	33.9	-175.3	-66	-44.5	0	0	0	113.1	V131 L150 R160	N129-V131 VanDerWaalsContact C-N 3.35Å; N129-L150 PolarHBondContact ND2-O 3.37Å; N129-R160 PolarHBondContact N-O 3.38Å; N129-R160 PolarHBondContact OD1-N 2.96Å; N129-R160 VanDerWaalsContact OD1-N 3.1Å
130	G	97.5	Very high	97.1	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	13.1	-179.8	0	0	0	0	0	116	Y58 K59 V128	Y58-G130 WeakPolarHBondContact O-CA 3.5Å; K59-G130 PolarHBondContact NZ-O 3.27Å; V128-G130 PolarHBondContact O-N 3.33Å; V128-G130 VanDerWaalsContact O-N 3.09Å
131	V	98.4	Very high	97.1	Very high	70 Å²	70	26.6 Å²	26.6	42%	0.424	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.7	171.7	-177.7	0	0	0	0	108.8	W127 V128 N129 V133 L150	W127-V131 CarbonylContact C-O 2.93Å; W127-V131 WeakPolarHBondContact CA-O 3.48Å; V128-V131 PolarHBondContact N-O 2.83Å; V128-V131 PolarHBondContact O-N 2.96Å; N129-V131 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.1Å; V131-L150 HydrophobicContact CB-CD1 4.34Å; V131-L150 HydrophobicContact CB-CD2 4.17Å; V131-L150 HydrophobicContact CG1-CD1 4.31Å; V131-L150 HydrophobicContact CG1-CD2 4.04Å; V131-L150 HydrophobicContact CG2-CD2 4.31Å
132	K	98.5	Very high	97.4	Very high	105 Å²	105	26.5 Å²	26.5	46%	0.457	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.8	178.1	-178.9	179.5	170.5	180	0	109	V125 V126 W127 E135	V125-K132 HydrophobicContact CG1-CD 4.04Å; V125-K132 HydrophobicContact CG1-CG 4.11Å; V126-K132 WeakPolarHBondContact O-CA 3.41Å; W127-K132 VanDerWaalsContact CD1-CA 3.42Å; W127-K132 VanDerWaalsContact CD1-N 3.26Å; K132-E135 WeakPolarHBondContact CE-OE2 3.47Å; K132-E135 IonicContact NZ-OE2 2.59Å; K132-E135 PolarHBondContact NZ-OE2 2.89Å
133	V	98.2	Very high	97.5	Very high	37 Å²	37	26.7 Å²	26.7	22%	0.224	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-34.9	-176.8	-59.3	0	0	0	0	113.5	V126 V128 V131 A145 I147 L150	V126-V133 HydrophobicContact CB-CG2 3.81Å; V126-V133 HydrophobicContact CG1-CG2 3.6Å; V126-V133 PolarHBondContact O-N 3.19Å; V128-V133 HydrophobicContact CB-CG1 3.95Å; V128-V133 HydrophobicContact CG2-CG1 3.9Å; V128-V133 HydrophobicContact CG2-CG2 4.16Å; V131-V133 PolarHBondContact O-N 3.1Å; V133-A145 HydrophobicContact CB-CB 3.97Å; V133-A145 HydrophobicContact CG2-CB 3.92Å; V133-I147 HydrophobicContact CG1-CG2 4.35Å; V133-L150 HydrophobicContact CG1-CD1 3.24Å
134	T	97.8	Very high	97.5	Very high	36 Å²	36	25.1 Å²	25.1	22%	0.221	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	167.7	177.3	-164.6	0	0	0	0	110.7	V126 F143 A145	V126-T134 HydrophobicContact CB-CG2 4.08Å; V126-T134 HydrophobicContact CG2-CG2 4Å; V126-T134 PolarHBondContact N-O 3.48Å; T134-F143 HydrophobicContact CG2-CD2 3.92Å; T134-F143 HydrophobicContact CG2-CE2 4.33Å; T134-A145 HydrophobicContact CG2-CB 4.01Å
135	E	97.9	Very high	97.5	Very high	90 Å²	90	25.7 Å²	25.7	42%	0.421	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.9	167.3	66.9	-165.6	-177.7	0	0	109.1	Y123 S124 V125 K132	Y123-E135 HydrophobicContact CE1-CB 4.5Å; Y123-E135 PolarHBondContact OH-OE1 2.93Å; Y123-E135 PolarHBondContact OH-OE2 2.85Å; S124-E135 CarbonylContact O-C 3.52Å; S124-E135 WeakPolarHBondContact O-CA 3.06Å; S124-E135 WeakPolarHBondContact O-CB 3.39Å; V125-E135 HydrophobicContact CG2-CB 4.35Å; K132-E135 WeakPolarHBondContact CE-OE2 3.47Å; K132-E135 IonicContact NZ-OE2 2.59Å; K132-E135 PolarHBondContact NZ-OE2 2.89Å
136	H	98.2	Very high	97.4	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.1	-179.8	-179	-100.3	0	0	0	110.3	Y123 S124 G138 F143 E425	Y123-H136 CarbonylContact C-O 3.52Å; Y123-H136 WeakPolarHBondContact CA-O 3.36Å; S124-H136 PolarHBondContact N-O 2.92Å; S124-H136 PolarHBondContact O-N 3.05Å; H136-G138 PolarHBondContact CE1-O 3.01Å; H136-G138 PolarHBondContact ND1-O 3.41Å; H136-F143 HydrophobicContact CB-CB 3.88Å; H136-F143 HydrophobicContact CB-CD1 3.35Å; H136-F143 HydrophobicContact CB-CD2 3.84Å; H136-F143 HydrophobicContact CB-CE1 3.72Å; H136-F143 HydrophobicContact CB-CE2 4.16Å; H136-F143 HydrophobicContact CB-CG 3.41Å; H136-F143 VanDerWaalsContact CB-CG 3.41Å; H136-F143 HydrophobicContact CB-CZ 4.11Å; H136-F143 AromaticContact CD2-CD1 3.93Å; H136-F143 AromaticContact CG-CD1 3.24Å; H136-F143 AromaticContact CG-CE1 3.87Å; H136-F143 AromaticContact CG-CG 3.62Å; H136-F143 AromaticContact ND1-CD1 3.34Å; H136-F143 VanDerWaalsContact ND1-CD1 3.34Å; H136-F143 WeakPolarHBondContact ND1-CD1 3.4Å; H136-F143 AromaticContact ND1-CE1 3.71Å; H136-E425 IonicContact CD2-OE2 3.67Å; H136-E425 IonicContact CE1-OE2 2.75Å; H136-E425 IonicContact NE2-OE1 3.64Å; H136-E425 IonicContact NE2-OE2 3.44Å; H136-E425 PolarHBondContact NE2-OE2 3.33Å
137	E	97.1	Very high	97.4	Very high	58 Å²	58	30.6 Å²	30.6	27%	0.271	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	105.9	178	-174.6	-177	171.1	0	0	108.6	Y122 Y123 H172 H418	Y122-E137 HydrophobicContact CD1-CG 4.26Å; Y122-E137 HydrophobicContact CE1-CG 3.41Å; Y122-E137 VanDerWaalsContact CE1-CG 3.41Å; Y123-E137 HydrophobicContact CD2-CB 3.72Å; Y123-E137 HydrophobicContact CD2-CG 3.94Å; Y123-E137 HydrophobicContact CE2-CB 4.05Å; E137-H172 IonicContact OE1-CD2 2.86Å; E137-H172 PolarHBondContact OE1-CD2 3.33Å; E137-H172 IonicContact OE1-NE2 2.67Å; E137-H418 IonicContact OE1-CE1 3.54Å; E137-H418 IonicContact OE1-ND1 3.52Å; E137-H418 PolarHBondContact OE1-ND1 2.9Å; E137-H418 IonicContact OE2-ND1 3.88Å
138	G	94.3	Very high	97.2	Very high	7 Å²	7	31.7 Å²	31.7	7%	0.072	17%	0.171	C	C	.	.			trans	146.9	139.4	-179.5	0	0	0	0	0	112.2	A120 Y122 H136	A120-G138 VanDerWaalsContact O-O 3.1Å; Y122-G138 CarbonylContact O-C 3.48Å; Y122-G138 PolarHBondContact O-N 3.49Å; H136-G138 PolarHBondContact CE1-O 3.01Å; H136-G138 PolarHBondContact ND1-O 3.41Å
139	G	89.9	Confident	96.9	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	-87	-15.6	-171.6	0	0	0	0	0	117.1	S119	S119-G139 WeakPolarHBondContact CB-O 3.17Å
140	H	95.6	Very high	96.8	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	22%	0.216	C	C	.	.	S	Bend	trans	-132.2	6.3	-161	-56.6	-76	0	0	0	114.3	R209 Y379 R429	H140-R209 PolarHBondContact O-NH1 3.04Å; H140-Y379 VanDerWaalsContact CD2-CB 3.41Å; H140-Y379 WeakPolarHBondContact CD2-CB 3.32Å; H140-Y379 AromaticContact CD2-CG 3.89Å; H140-Y379 AromaticContact CE1-CD1 3.64Å; H140-Y379 AromaticContact CE1-CD2 3.56Å; H140-Y379 AromaticContact CE1-CE2 3.99Å; H140-Y379 AromaticContact CE1-CG 3.37Å; H140-Y379 VanDerWaalsContact CG-CB 3.49Å; H140-Y379 AromaticContact CG-CG 3.84Å; H140-Y379 AromaticContact ND1-CD2 3.39Å; H140-Y379 WeakPolarHBondContact ND1-CD2 3.23Å; H140-Y379 AromaticContact ND1-CG 3.53Å; H140-Y379 AromaticContact NE2-CD1 3.76Å; H140-Y379 AromaticContact NE2-CG 3.62Å; H140-R429 PolarHBondContact O-NH1 2.87Å
141	L	98	Very high	96.7	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	22%	0.218	C	C	.	.	S	Bend	trans	-123.3	148.6	-176	-71.9	161.1	0	0	0	110.3	P380 V422 E425 L426	L141-P380 HydrophobicContact CD2-CB 4.28Å; L141-P380 HydrophobicContact CD2-CG 4.22Å; L141-P380 HydrophobicContact CG-CG 4.43Å; L141-V422 HydrophobicContact CD1-CG1 4.04Å; L141-E425 HydrophobicContact CD1-CB 3.64Å; L141-E425 HydrophobicContact CD2-CB 4.47Å; L141-E425 HydrophobicContact CG-CB 4.45Å; L141-L426 HydrophobicContact CD2-CB 4.49Å
142	P	98.4	Very high	96.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	22%	0.217	C	C	.	.			trans	-81.4	152.8	-174.7	32.6	-36	0	0	0	112.3	M21 R116 V117 G118 R429	M21-P142 HydrophobicContact CG-CG 3.68Å; M21-P142 HydrophobicContact SD-CB 4.31Å; M21-P142 HydrophobicContact SD-CG 4.1Å; R116-P142 VanDerWaalsContact CZ-CB 3.44Å; V117-P142 WeakPolarHBondContact O-CA 3.39Å; G118-P142 WeakPolarHBondContact O-CA 3.43Å; P142-R429 HydrophobicContact CG-CG 4.32Å
143	F	98.3	Very high	95.8	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.8	172.3	56	-85.9	0	0	0	110.6	V117 A120 V126 T134 H136	V117-F143 HydrophobicContact CB-CD1 4.44Å; V117-F143 HydrophobicContact CB-CD2 4.27Å; V117-F143 HydrophobicContact CB-CE1 3.96Å; V117-F143 HydrophobicContact CB-CE2 3.75Å; V117-F143 HydrophobicContact CB-CZ 3.59Å; V117-F143 HydrophobicContact CG1-CE1 3.9Å; V117-F143 HydrophobicContact CG1-CE2 4.32Å; V117-F143 HydrophobicContact CG1-CZ 3.65Å; V117-F143 HydrophobicContact CG2-CD2 4.48Å; V117-F143 HydrophobicContact CG2-CE2 3.77Å; V117-F143 HydrophobicContact CG2-CZ 3.94Å; V117-F143 PolarHBondContact N-O 2.88Å; V117-F143 PolarHBondContact O-N 2.84Å; A120-F143 HydrophobicContact CB-CE1 4.41Å; A120-F143 HydrophobicContact CB-CZ 4.36Å; V126-F143 HydrophobicContact CG2-CE2 3.7Å; T134-F143 HydrophobicContact CG2-CD2 3.92Å; T134-F143 HydrophobicContact CG2-CE2 4.33Å; H136-F143 HydrophobicContact CB-CB 3.88Å; H136-F143 HydrophobicContact CB-CD1 3.35Å; H136-F143 HydrophobicContact CB-CD2 3.84Å; H136-F143 HydrophobicContact CB-CE1 3.72Å; H136-F143 HydrophobicContact CB-CE2 4.16Å; H136-F143 HydrophobicContact CB-CG 3.41Å; H136-F143 VanDerWaalsContact CB-CG 3.41Å; H136-F143 HydrophobicContact CB-CZ 4.11Å; H136-F143 AromaticContact CD2-CD1 3.93Å; H136-F143 AromaticContact CG-CD1 3.24Å; H136-F143 AromaticContact CG-CE1 3.87Å; H136-F143 AromaticContact CG-CG 3.62Å; H136-F143 AromaticContact ND1-CD1 3.34Å; H136-F143 VanDerWaalsContact ND1-CD1 3.34Å; H136-F143 WeakPolarHBondContact ND1-CD1 3.4Å; H136-F143 AromaticContact ND1-CE1 3.71Å
144	E	98.3	Very high	95.4	Very high	34 Å²	34	44.7 Å²	44.7	16%	0.159	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161.6	-175.8	65.3	169.9	-129.6	0	0	113.3	M21 R112 V114 L115 R116 Y214	M21-E144 HydrophobicContact CE-CG 4.33Å; M21-E144 HydrophobicContact SD-CG 4.35Å; R112-E144 IonicContact NH2-OE1 3.92Å; R112-E144 PolarHBondContact NH2-OE1 2.8Å; V114-E144 HydrophobicContact CG1-CB 3.79Å; V114-E144 HydrophobicContact CG1-CG 4.18Å; L115-E144 CarbonylContact O-C 3.49Å; L115-E144 WeakPolarHBondContact O-CA 3.46Å; L115-E144 WeakPolarHBondContact O-CB 3.38Å; R116-E144 HydrophobicContact CB-CB 4.18Å; R116-E144 HydrophobicContact CG-CB 4.43Å; R116-E144 IonicContact NH1-OE2 3.73Å; E144-Y214 PolarHBondContact OE1-OH 2.84Å; E144-Y214 VanDerWaalsContact OE2-CE1 3.29Å; E144-Y214 WeakPolarHBondContact OE2-CE1 3.48Å; E144-Y214 PolarHBondContact OE2-OH 2.78Å
145	A	98.1	Very high	94.8	Very high	12 Å²	12	45 Å²	45	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140.3	174.6	0	0	0	0	0	111.1	V114 L115 V133 T134 I147	V114-A145 WeakPolarHBondContact CA-O 3.33Å; V114-A145 WeakPolarHBondContact CG1-O 3.29Å; L115-A145 PolarHBondContact N-O 2.77Å; L115-A145 PolarHBondContact O-N 2.92Å; V133-A145 HydrophobicContact CB-CB 3.97Å; V133-A145 HydrophobicContact CG2-CB 3.92Å; T134-A145 HydrophobicContact CG2-CB 4.01Å; A145-I147 HydrophobicContact CB-CG2 4.46Å; A145-I147 PolarHBondContact O-N 2.84Å
146	E	97.4	Very high	94.3	Very high	111 Å²	111	45.9 Å²	45.9	52%	0.519	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.5	168	-66.5	-173.3	-158.9	0	0	110	R112 V114 Y220	R112-E146 HydrophobicContact CG-CG 4.22Å; R112-E146 IonicContact CZ-OE1 3.58Å; R112-E146 IonicContact NE-OE1 3.4Å; R112-E146 PolarHBondContact NE-OE1 2.82Å; R112-E146 IonicContact NE-OE2 3.47Å; R112-E146 IonicContact NH2-OE1 3.99Å; R112-E146 PolarHBondContact NH2-OE1 3.16Å; V114-E146 HydrophobicContact CG2-CG 4.32Å; E146-Y220 PolarHBondContact OE1-OH 3.28Å
147	I	97.4	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.			trans	-121.8	-0.5	-173.2	66.2	158.8	0	0	0	113.6	V113 L115 V128 V133 A145 T149 L150 L151 L213	V113-I147 HydrophobicContact CG1-CG1 4.18Å; V113-I147 PolarHBondContact O-N 2.93Å; L115-I147 HydrophobicContact CB-CD1 4.19Å; L115-I147 HydrophobicContact CB-CG1 4.47Å; L115-I147 HydrophobicContact CB-CG2 3.9Å; V128-I147 HydrophobicContact CG2-CB 4.36Å; V128-I147 HydrophobicContact CG2-CD1 4.48Å; V128-I147 HydrophobicContact CG2-CG2 3.81Å; V133-I147 HydrophobicContact CG1-CG2 4.35Å; A145-I147 HydrophobicContact CB-CG2 4.46Å; A145-I147 PolarHBondContact O-N 2.84Å; I147-T149 VanDerWaalsContact C-N 3.25Å; I147-T149 PolarHBondContact O-N 3.19Å; I147-T149 VanDerWaalsContact O-N 3.15Å; I147-L150 WeakPolarHBondContact O-CA 3.39Å; I147-L150 WeakPolarHBondContact O-CB 3.29Å; I147-L150 PolarHBondContact O-N 2.84Å; I147-L151 HydrophobicContact CD1-CD2 3.89Å; I147-L151 HydrophobicContact CG1-CD2 4.41Å; I147-L151 PolarHBondContact O-N 3.42Å; I147-L213 HydrophobicContact CD1-CD2 3.61Å
148	G	94.6	Very high	93.7	Very high	32 Å²	32	47.3 Å²	47.3	33%	0.33	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-54.1	-37.9	-173	0	0	0	0	0	114.1	V113 L150 L151	V113-G148 PolarHBondContact O-N 3.28Å; G148-L150 PolarHBondContact O-N 2.74Å; G148-L151 PolarHBondContact O-N 2.8Å
149	T	94	Very high	93.8	Very high	138 Å²	138	47.2 Å²	47.2	85%	0.847	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-71.2	-16.1	178.1	56.1	0	0	0	0	113.8	I147	I147-T149 VanDerWaalsContact C-N 3.25Å; I147-T149 PolarHBondContact O-N 3.19Å; I147-T149 VanDerWaalsContact O-N 3.15Å
150	L	95	Very high	94.2	Very high	47 Å²	47	47.7 Å²	47.7	25%	0.246	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-99.5	-8.2	-179.8	-58.6	176.4	0	0	0	112.7	V128 N129 V131 V133 I147 G148	V128-L150 HydrophobicContact CB-CD1 4.24Å; V128-L150 HydrophobicContact CG1-CB 4.13Å; N129-L150 PolarHBondContact ND2-O 3.37Å; V131-L150 HydrophobicContact CB-CD1 4.34Å; V131-L150 HydrophobicContact CB-CD2 4.17Å; V131-L150 HydrophobicContact CG1-CD1 4.31Å; V131-L150 HydrophobicContact CG1-CD2 4.04Å; V131-L150 HydrophobicContact CG2-CD2 4.31Å; V133-L150 HydrophobicContact CG1-CD1 3.24Å; I147-L150 WeakPolarHBondContact O-CA 3.39Å; I147-L150 WeakPolarHBondContact O-CB 3.29Å; I147-L150 PolarHBondContact O-N 2.84Å; G148-L150 PolarHBondContact O-N 2.74Å
151	L	94.4	Very high	94.4	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.073	25%	0.254	C	S	.	.	S	Bend	trans	-70.4	135.3	174.6	-61.4	-178.1	0	0	0	110	V101 V113 I147 G148 C159	V101-L151 HydrophobicContact CG1-CD1 4.15Å; V101-L151 HydrophobicContact CG2-CD2 4.11Å; V113-L151 HydrophobicContact CB-CD1 4.1Å; V113-L151 HydrophobicContact CG1-CD1 4.03Å; V113-L151 HydrophobicContact CG2-CD1 4Å; I147-L151 HydrophobicContact CD1-CD2 3.89Å; I147-L151 HydrophobicContact CG1-CD2 4.41Å; I147-L151 PolarHBondContact O-N 3.42Å; G148-L151 PolarHBondContact O-N 2.8Å; L151-C159 HydrophobicContact CD2-CB 4.22Å
152	R	90.7	Very high	94.4	Very high	108 Å²	108	47.2 Å²	47.2	41%	0.408	25%	0.253	S	S	.	.			trans	-69.7	136.8	175.9	-60.7	177.8	-171.4	-141	3.3	108.7	I106 D154 M157	I106-R152 VanDerWaalsContact CG2-O 3.24Å; I106-R152 WeakPolarHBondContact CG2-O 3.44Å; R152-D154 PolarHBondContact O-N 2.8Å; R152-M157 VanDerWaalsContact NH1-CE 3.32Å
153	K	88.9	Confident	94.4	Very high	135 Å²	135	47.1 Å²	47.1	59%	0.587	25%	0.252	S	S	*	.	S	Bend	trans	-71.1	-18.4	178.6	-68.3	-58.6	-163.6	179.6	0	113.6	I106 D109 P155	I106-K153 HydrophobicContact CG2-CD 3.88Å; I106-K153 PolarHBondContact O-NZ 2.82Å; D109-K153 IonicContact OD1-NZ 3.65Å; D109-K153 PolarHBondContact OD1-NZ 2.78Å; K153-P155 WeakPolarHBondContact O-CD 3.37Å
154	D	89.7	Confident	94.5	Very high	76 Å²	76	46.7 Å²	46.7	41%	0.406	25%	0.25	S	S	.	.			trans	-81.2	110.9	171.3	-178	-7.4	0	0	0	110.2	R152 T156 M157	R152-D154 PolarHBondContact O-N 2.8Å; D154-T156 VanDerWaalsContact CG-OG1 3.23Å; D154-T156 PolarHBondContact O-N 3.14Å; D154-T156 WeakPolarHBondContact OD1-CB 3.27Å; D154-T156 PolarHBondContact OD1-N 3.25Å; D154-T156 PolarHBondContact OD1-OG1 3.31Å; D154-T156 PolarHBondContact OD2-OG1 2.82Å; D154-M157 HydrophobicContact CB-CB 4.5Å; D154-M157 HydrophobicContact CB-CG 4.24Å; D154-M157 PolarHBondContact O-N 2.79Å
155	P	84.7	Confident	94.5	Very high	41 Å²	41	45.1 Å²	45.1	27%	0.266	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.6	-177.5	31.4	-36.9	0	0	0	113.5	T103 I106 K153 M157	T103-P155 HydrophobicContact CG2-CB 4.02Å; T103-P155 HydrophobicContact CG2-CG 4.09Å; T103-P155 WeakPolarHBondContact OG1-CB 3.37Å; I106-P155 HydrophobicContact CD1-CB 4.21Å; K153-P155 WeakPolarHBondContact O-CD 3.37Å; P155-M157 VanDerWaalsContact C-N 3.35Å
156	T	86.4	Confident	94.5	Very high	110 Å²	110	45.7 Å²	45.7	68%	0.675	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-19	177.2	71.4	0	0	0	0	112.5	D154	D154-T156 VanDerWaalsContact CG-OG1 3.23Å; D154-T156 PolarHBondContact O-N 3.14Å; D154-T156 WeakPolarHBondContact OD1-CB 3.27Å; D154-T156 PolarHBondContact OD1-N 3.25Å; D154-T156 PolarHBondContact OD1-OG1 3.31Å; D154-T156 PolarHBondContact OD2-OG1 2.82Å
157	M	89.8	Confident	94.6	Very high	78 Å²	78	40.5 Å²	40.5	38%	0.384	22%	0.22	S	C	.	.	S	Bend	trans	-90.7	123.4	179.4	-69.7	-64.1	-65.9	0	0	110.5	R152 D154 P155	R152-M157 VanDerWaalsContact NH1-CE 3.32Å; D154-M157 HydrophobicContact CB-CB 4.5Å; D154-M157 HydrophobicContact CB-CG 4.24Å; D154-M157 PolarHBondContact O-N 2.79Å; P155-M157 VanDerWaalsContact C-N 3.35Å
158	P	94.1	Very high	94.6	Very high	28 Å²	28	42.6 Å²	42.6	18%	0.182	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-67.4	150.1	-180	28	-34	0	0	0	111.7	E98	E98-P158 HydrophobicContact CB-CB 3.93Å; E98-P158 HydrophobicContact CB-CG 4.23Å; E98-P158 HydrophobicContact CG-CB 4.5Å; E98-P158 HydrophobicContact CG-CG 4.41Å; E98-P158 WeakPolarHBondContact OE2-CG 3.36Å
159	C	96.6	Very high	94.8	Very high	5 Å²	5	41 Å²	41	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.4	167.2	-175.1	0	0	0	0	108.9	E98 V99 V101 V128 L151	E98-C159 CarbonylContact C-O 3.52Å; E98-C159 WeakPolarHBondContact CA-O 3.43Å; V99-C159 PolarHBondContact N-O 3.36Å; V99-C159 WeakPolarHBondContact O-CB 3.46Å; V99-C159 PolarHBondContact O-N 3.08Å; V101-C159 HydrophobicContact CG2-CB 3.85Å; V128-C159 VanDerWaalsContact CG1-SG 3.51Å; L151-C159 HydrophobicContact CD2-CB 4.22Å
160	R	98.1	Very high	94.9	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.5	178.7	-172.4	170.6	62.1	70.8	0	110	Y58 K59 S60 E96 E98 V128 N129 T162	Y58-R160 PolarHBondContact O-NH1 2.73Å; Y58-R160 PolarHBondContact O-NH2 2.61Å; K59-R160 PolarHBondContact O-NH2 3.09Å; S60-R160 PolarHBondContact O-NH1 3.42Å; S60-R160 VanDerWaalsContact O-NH1 3.09Å; E96-R160 HydrophobicContact CG-CG 3.89Å; E96-R160 VanDerWaalsContact OE2-CD 3.25Å; E96-R160 WeakPolarHBondContact OE2-CD 3.34Å; E96-R160 WeakPolarHBondContact OE2-CG 3.47Å; E96-R160 IonicContact OE2-CZ 2.66Å; E96-R160 IonicContact OE2-NE 3.31Å; E96-R160 IonicContact OE2-NH1 3.97Å; E96-R160 PolarHBondContact OE2-NH1 3.46Å; E98-R160 HydrophobicContact CG-CB 4.16Å; E98-R160 HydrophobicContact CG-CG 4.1Å; V128-R160 CarbonylContact C-O 3.57Å; V128-R160 WeakPolarHBondContact CA-O 3.5Å; N129-R160 PolarHBondContact N-O 3.38Å; N129-R160 PolarHBondContact OD1-N 2.96Å; N129-R160 VanDerWaalsContact OD1-N 3.1Å; R160-T162 PolarHBondContact NH1-OG1 3.06Å
161	I	98.8	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.7	178.1	-61.2	164.8	0	0	0	107.6	L35 W39 E96 R97 V99 L115 W127 V128 I163 L213	L35-I161 HydrophobicContact CD1-CD1 3.4Å; W39-I161 HydrophobicContact CH2-CB 4.35Å; W39-I161 HydrophobicContact CH2-CG2 3.91Å; W39-I161 HydrophobicContact CZ3-CB 4.47Å; W39-I161 HydrophobicContact CZ3-CG2 4.11Å; E96-I161 CarbonylContact C-O 3.54Å; E96-I161 VanDerWaalsContact CA-O 3.3Å; E96-I161 WeakPolarHBondContact CA-O 3.24Å; R97-I161 PolarHBondContact N-O 3.41Å; R97-I161 PolarHBondContact O-N 2.98Å; V99-I161 HydrophobicContact CG2-CD1 4.25Å; L115-I161 HydrophobicContact CD1-CD1 4.12Å; L115-I161 HydrophobicContact CD2-CD1 4.45Å; L115-I161 HydrophobicContact CD2-CG1 4.49Å; L115-I161 HydrophobicContact CD2-CG2 3.82Å; W127-I161 WeakPolarHBondContact O-CA 3.48Å; V128-I161 HydrophobicContact CG2-CG1 4.41Å; I161-I163 HydrophobicContact CG2-CD1 4.37Å; I161-I163 HydrophobicContact CG2-CG1 4.18Å; I161-L213 HydrophobicContact CD1-CD2 4.31Å
162	T	98.9	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.9	176.7	-45.4	0	0	0	0	108.6	W94 Y95 E96 W127 R160	W94-T162 HydrophobicContact CE3-CG2 3.87Å; W94-T162 HydrophobicContact CZ3-CG2 4.29Å; Y95-T162 CarbonylContact O-C 3.54Å; Y95-T162 VanDerWaalsContact O-CA 3.28Å; Y95-T162 WeakPolarHBondContact O-CA 3.38Å; E96-T162 HydrophobicContact CB-CG2 4.48Å; E96-T162 PolarHBondContact OE2-OG1 2.91Å; W127-T162 PolarHBondContact N-O 2.88Å; W127-T162 PolarHBondContact O-N 3.36Å; R160-T162 PolarHBondContact NH1-OG1 3.06Å
163	I	98.9	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.6	178.8	-53.3	178.2	0	0	0	108.2	W39 W94 Y95 V117 V125 V126 I161 V165 I207	W39-I163 HydrophobicContact CH2-CD1 4Å; W39-I163 HydrophobicContact CZ3-CD1 4.07Å; W39-I163 HydrophobicContact CZ3-CG1 4.27Å; W94-I163 WeakPolarHBondContact CA-O 3.39Å; Y95-I163 PolarHBondContact N-O 3.34Å; Y95-I163 PolarHBondContact O-N 3.3Å; V117-I163 HydrophobicContact CG2-CD1 3.93Å; V125-I163 WeakPolarHBondContact O-CA 3.1Å; V126-I163 HydrophobicContact CG1-CG1 4.2Å; V126-I163 HydrophobicContact CG2-CG1 4.26Å; V126-I163 HydrophobicContact CG2-CG2 4.27Å; I161-I163 HydrophobicContact CG2-CD1 4.37Å; I161-I163 HydrophobicContact CG2-CG1 4.18Å; I163-V165 HydrophobicContact CG2-CG2 3.75Å; I163-I207 HydrophobicContact CB-CD1 4.34Å; I163-I207 HydrophobicContact CD1-CD1 3.97Å; I163-I207 HydrophobicContact CG2-CD1 4.41Å
164	A	98.9	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.1	169.5	0	0	0	0	0	108.8	F53 W92 V93 W94 S124 V125 W127	F53-A164 HydrophobicContact CZ-CB 4.1Å; W92-A164 HydrophobicContact CE3-CB 3.8Å; W92-A164 HydrophobicContact CZ3-CB 4.03Å; V93-A164 CarbonylContact O-C 3.58Å; V93-A164 WeakPolarHBondContact O-CA 3.46Å; W94-A164 HydrophobicContact CD2-CB 3.89Å; W94-A164 HydrophobicContact CE3-CB 3.85Å; W94-A164 HydrophobicContact CH2-CB 3.94Å; W94-A164 HydrophobicContact CZ2-CB 3.99Å; W94-A164 HydrophobicContact CZ3-CB 3.87Å; S124-A164 CarbonylContact C-O 3.54Å; S124-A164 VanDerWaalsContact CA-O 3.28Å; S124-A164 WeakPolarHBondContact CA-O 3.42Å; V125-A164 PolarHBondContact N-O 3.33Å; V125-A164 PolarHBondContact O-N 2.85Å; W127-A164 HydrophobicContact CH2-CB 3.92Å; W127-A164 HydrophobicContact CZ3-CB 3.62Å
165	V	98.8	Very high	96.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122	-170.6	176.9	0	0	0	0	108.1	W92 V93 Y95 A120 H121 I163 I207	W92-V165 WeakPolarHBondContact CA-O 3.49Å; V93-V165 HydrophobicContact CG2-CB 3.87Å; V93-V165 HydrophobicContact CG2-CG1 4.35Å; V93-V165 PolarHBondContact N-O 3.29Å; V93-V165 PolarHBondContact O-N 2.85Å; Y95-V165 HydrophobicContact CD2-CG2 4.33Å; A120-V165 HydrophobicContact CB-CG2 4.17Å; H121-V165 WeakPolarHBondContact O-CG1 3.3Å; I163-V165 HydrophobicContact CG2-CG2 3.75Å; V165-I207 HydrophobicContact CG2-CG1 4.33Å
166	N	98.8	Very high	96.9	Very high	23 Å²	23	23.2 Å²	23.2	12%	0.123	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.6	-179.8	-167.3	-48.4	0	0	0	111.4	G91 W92 H121 Y122 Y123 T168	G91-N166 WeakPolarHBondContact O-CA 3.39Å; W92-N166 VanDerWaalsContact CD1-ND2 3.29Å; W92-N166 HydrophobicContact CD2-CB 3.62Å; W92-N166 HydrophobicContact CE3-CB 3.57Å; W92-N166 HydrophobicContact CG-CB 4.31Å; W92-N166 HydrophobicContact CH2-CB 3.98Å; W92-N166 HydrophobicContact CZ2-CB 3.98Å; W92-N166 HydrophobicContact CZ3-CB 3.74Å; W92-N166 PolarHBondContact NE1-ND2 3.16Å; H121-N166 CarbonylContact C-O 3.56Å; Y122-N166 WeakPolarHBondContact CA-O 3.11Å; Y122-N166 WeakPolarHBondContact CB-O 3.46Å; Y122-N166 PolarHBondContact N-O 3.39Å; Y123-N166 PolarHBondContact N-O 3.12Å; Y123-N166 VanDerWaalsContact N-O 3.09Å; Y123-N166 PolarHBondContact O-N 3.1Å; N166-T168 WeakPolarHBondContact OD1-CB 3.01Å; N166-T168 PolarHBondContact OD1-N 2.85Å; N166-T168 PolarHBondContact OD1-OG1 2.88Å
167	N	98.4	Very high	97.4	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	10%	0.098	C	C	.	.			trans	-101.4	12.5	-177.5	70.5	-26.3	0	0	0	115.4	Y77 F89 I90 G91 L169 N203 A205	Y77-N167 PolarHBondContact OH-ND2 3.13Å; F89-N167 PolarHBondContact O-ND2 3.26Å; I90-N167 WeakPolarHBondContact CA-OD1 3.42Å; G91-N167 PolarHBondContact N-OD1 3.29Å; G91-N167 PolarHBondContact O-N 2.88Å; G91-N167 PolarHBondContact O-OD1 2.96Å; N167-L169 PolarHBondContact O-N 2.91Å; N167-N203 PolarHBondContact O-ND2 2.92Å; N167-A205 HydrophobicContact CB-CB 3.41Å; N167-A205 VanDerWaalsContact CB-CB 3.41Å
168	T	98.4	Very high	97.8	Very high	43 Å²	43	16.4 Å²	16.4	26%	0.264	9%	0.091	S	C	.	.			trans	-68	130	174.7	-50.3	0	0	0	0	109.2	I90 N166 I179	I90-T168 HydrophobicContact CG2-CG2 4.36Å; N166-T168 WeakPolarHBondContact OD1-CB 3.01Å; N166-T168 PolarHBondContact OD1-N 2.85Å; N166-T168 PolarHBondContact OD1-OG1 2.88Å; T168-I179 HydrophobicContact CG2-CD1 4Å; T168-I179 HydrophobicContact CG2-CG1 3.78Å
169	L	98.3	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.			trans	-108.8	140.1	174.4	-58.3	178.3	0	0	0	109.6	Y122 N167 T173 P175 G177 Q195 T197 F199	Y122-L169 HydrophobicContact CD2-CD2 4.2Å; Y122-L169 HydrophobicContact CG-CD2 4.26Å; N167-L169 PolarHBondContact O-N 2.91Å; L169-T173 WeakPolarHBondContact CA-OG1 3.3Å; L169-P175 HydrophobicContact CD1-CG 4.12Å; L169-G177 CarbonylContact O-C 3.55Å; L169-Q195 PolarHBondContact O-NE2 3.38Å; L169-Q195 PolarHBondContact O-OE1 2.84Å; L169-T197 HydrophobicContact CD1-CG2 4.16Å; L169-F199 HydrophobicContact CD1-CE1 3.68Å; L169-F199 HydrophobicContact CD1-CZ 3.5Å
170	D	97.2	Very high	97.9	Very high	55 Å²	55	21.4 Å²	21.4	29%	0.294	11%	0.113	S	C	.	.			trans	-136.3	-170	178.7	71.4	33.4	0	0	0	111.3	H172 T173 P176 G177	D170-H172 PolarHBondContact O-N 3.07Å; D170-H172 IonicContact OD1-CD2 3.23Å; D170-H172 IonicContact OD1-CE1 3.99Å; D170-H172 PolarHBondContact OD1-CE1 2.91Å; D170-H172 IonicContact OD1-CG 2.85Å; D170-H172 VanDerWaalsContact OD1-CG 3.23Å; D170-H172 PolarHBondContact OD1-N 3.32Å; D170-H172 IonicContact OD1-ND1 3.11Å; D170-H172 PolarHBondContact OD1-ND1 2.87Å; D170-H172 IonicContact OD1-NE2 2.62Å; D170-H172 IonicContact OD2-CE1 3.53Å; D170-H172 PolarHBondContact OD2-CE1 2.9Å; D170-H172 IonicContact OD2-ND1 3.6Å; D170-H172 PolarHBondContact OD2-ND1 3.05Å; D170-H172 VanDerWaalsContact OD2-ND1 3.11Å; D170-H172 IonicContact OD2-NE2 3.9Å; D170-T173 PolarHBondContact N-OG1 2.8Å; D170-T173 PolarHBondContact O-N 3.23Å; D170-T173 PolarHBondContact O-OG1 2.91Å; D170-T173 PolarHBondContact OD1-N 3.2Å; D170-P176 CarbonylContact O-C 3.51Å; D170-P176 WeakPolarHBondContact O-CA 3.5Å; D170-P176 WeakPolarHBondContact O-CB 2.92Å; D170-G177 CarbonylContact C-O 3.56Å; D170-G177 WeakPolarHBondContact CA-O 3.42Å; D170-G177 PolarHBondContact O-N 2.95Å
171	L	97.1	Very high	97.8	Very high	45 Å²	45	28 Å²	28	24%	0.236	14%	0.138	C	C	.	.	S	Bend	trans	-66.9	-18.5	-174.2	-65.1	169.2	0	0	0	114.3	G177 T178 D407 R409 S410 S415	L171-G177 PolarHBondContact N-O 3.08Å; L171-T178 HydrophobicContact CD2-CG2 3.72Å; L171-T178 HydrophobicContact CG-CG2 4.13Å; L171-D407 HydrophobicContact CD2-CB 4.05Å; L171-R409 HydrophobicContact CD1-CB 3.86Å; L171-R409 HydrophobicContact CD2-CB 4.35Å; L171-S410 PolarHBondContact O-OG 2.85Å; L171-S410 VanDerWaalsContact O-OG 3.08Å; L171-S415 PolarHBondContact O-OG 2.98Å
172	H	95.5	Very high	97.7	Very high	70 Å²	70	29.6 Å²	29.6	32%	0.324	15%	0.146	S	C	.	.	S	Bend	trans	-103.3	-14.6	-179.5	72	-84.5	0	0	0	114.1	E137 D170 A414 S415 H418	E137-H172 IonicContact OE1-CD2 2.86Å; E137-H172 PolarHBondContact OE1-CD2 3.33Å; E137-H172 IonicContact OE1-NE2 2.67Å; D170-H172 PolarHBondContact O-N 3.07Å; D170-H172 IonicContact OD1-CD2 3.23Å; D170-H172 IonicContact OD1-CE1 3.99Å; D170-H172 PolarHBondContact OD1-CE1 2.91Å; D170-H172 IonicContact OD1-CG 2.85Å; D170-H172 VanDerWaalsContact OD1-CG 3.23Å; D170-H172 PolarHBondContact OD1-N 3.32Å; D170-H172 IonicContact OD1-ND1 3.11Å; D170-H172 PolarHBondContact OD1-ND1 2.87Å; D170-H172 IonicContact OD1-NE2 2.62Å; D170-H172 IonicContact OD2-CE1 3.53Å; D170-H172 PolarHBondContact OD2-CE1 2.9Å; D170-H172 IonicContact OD2-ND1 3.6Å; D170-H172 PolarHBondContact OD2-ND1 3.05Å; D170-H172 VanDerWaalsContact OD2-ND1 3.11Å; D170-H172 IonicContact OD2-NE2 3.9Å; H172-A414 HydrophobicContact CB-CB 4.4Å; H172-S415 WeakPolarHBondContact CA-OG 3.42Å; H172-H418 PolarHBondContact O-CD2 3.15Å
173	T	98.1	Very high	97.6	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-68.4	159.3	175.2	62.8	0	0	0	0	112.2	Y122 L169 D170 P175 P176	Y122-T173 HydrophobicContact CD1-CG2 3.8Å; Y122-T173 HydrophobicContact CE1-CG2 3.35Å; Y122-T173 VanDerWaalsContact OH-CA 3.24Å; Y122-T173 WeakPolarHBondContact OH-CA 3.29Å; L169-T173 WeakPolarHBondContact CA-OG1 3.3Å; D170-T173 PolarHBondContact N-OG1 2.8Å; D170-T173 PolarHBondContact O-N 3.23Å; D170-T173 PolarHBondContact O-OG1 2.91Å; D170-T173 PolarHBondContact OD1-N 3.2Å; T173-P175 CarbonylContact C-O 3.49Å; T173-P175 VanDerWaalsContact C-O 3.29Å; T173-P175 WeakPolarHBondContact CB-O 3.36Å; T173-P175 CarbonylContact O-C 3.58Å; T173-P175 PolarHBondContact OG1-O 3.36Å; T173-P176 VanDerWaalsContact O-CA 3.28Å; T173-P176 WeakPolarHBondContact O-CA 3.14Å; T173-P176 VanDerWaalsContact O-N 3.12Å
174	L	97.9	Very high	97.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	-123.7	107	170.4	-66.8	168.7	0	0	0	110.2	Y122 P401 I405 H419 V422	Y122-L174 WeakPolarHBondContact CE2-O 3.33Å; Y122-L174 PolarHBondContact OH-N 3.07Å; Y122-L174 VanDerWaalsContact OH-N 3.09Å; L174-P401 CarbonylContact C-O 3.58Å; L174-P401 HydrophobicContact CB-CB 4.29Å; L174-P401 HydrophobicContact CB-CG 3.9Å; L174-P401 WeakPolarHBondContact O-CB 3.36Å; L174-I405 HydrophobicContact CD2-CD1 4.27Å; L174-H419 VanDerWaalsContact CD1-CA 3.44Å; L174-H419 HydrophobicContact CD1-CB 3.61Å; L174-H419 VanDerWaalsContact CD1-CG 3.48Å; L174-V422 HydrophobicContact CD1-CB 4.29Å; L174-V422 HydrophobicContact CD1-CG2 4.09Å
175	P	98.1	Very high	97.3	Very high	2 Å²	2	45 Å²	45	1%	0.013	22%	0.222	C	C	.	.	S	Bend	cis	-72	156.4	3.5	30	-36	0	0	0	113.5	L169 T173 F199 F201 P401 V403	L169-P175 HydrophobicContact CD1-CG 4.12Å; T173-P175 CarbonylContact C-O 3.49Å; T173-P175 VanDerWaalsContact C-O 3.29Å; T173-P175 WeakPolarHBondContact CB-O 3.36Å; T173-P175 CarbonylContact O-C 3.58Å; T173-P175 PolarHBondContact OG1-O 3.36Å; P175-F199 HydrophobicContact CB-CD1 3.52Å; P175-F199 HydrophobicContact CB-CE1 3.53Å; P175-F199 HydrophobicContact CB-CG 4.3Å; P175-F199 HydrophobicContact CB-CZ 4.33Å; P175-F199 HydrophobicContact CG-CD1 3.87Å; P175-F199 HydrophobicContact CG-CE1 3.45Å; P175-F199 VanDerWaalsContact CG-CE1 3.45Å; P175-F199 HydrophobicContact CG-CE2 4.4Å; P175-F199 HydrophobicContact CG-CG 4.48Å; P175-F199 HydrophobicContact CG-CZ 3.76Å; P175-F201 HydrophobicContact CG-CZ 4.38Å; P175-P401 WeakPolarHBondContact CA-O 3.34Å; P175-V403 HydrophobicContact CB-CG1 3.85Å; P175-V403 WeakPolarHBondContact CB-O 3.38Å
176	P	98.1	Very high	97.2	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.026	26%	0.258	C	S	.	.			trans	-81.4	157.2	178.1	33.7	-30.6	0	0	0	111.8	D170 T173 V403 G404 I405	D170-P176 CarbonylContact O-C 3.51Å; D170-P176 WeakPolarHBondContact O-CA 3.5Å; D170-P176 WeakPolarHBondContact O-CB 2.92Å; T173-P176 VanDerWaalsContact O-CA 3.28Å; T173-P176 WeakPolarHBondContact O-CA 3.14Å; T173-P176 VanDerWaalsContact O-N 3.12Å; P176-V403 WeakPolarHBondContact CD-O 3.15Å; P176-G404 WeakPolarHBondContact CG-O 3.39Å; P176-I405 HydrophobicContact CG-CG1 4.23Å
177	G	97.3	Very high	97.1	Very high	5 Å²	5	58.2 Å²	58.2	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	-174.6	174.7	0	0	0	0	0	112.6	L169 D170 L171 N196	L169-G177 CarbonylContact O-C 3.55Å; D170-G177 CarbonylContact C-O 3.56Å; D170-G177 WeakPolarHBondContact CA-O 3.42Å; D170-G177 PolarHBondContact O-N 2.95Å; L171-G177 PolarHBondContact N-O 3.08Å; G177-N196 CarbonylContact C-O 3.47Å; G177-N196 WeakPolarHBondContact CA-O 3.31Å
178	T	97.3	Very high	97	Very high	40 Å²	40	60.8 Å²	60.8	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.8	168.3	57.9	0	0	0	0	111.5	L171 Q195 N196	L171-T178 HydrophobicContact CD2-CG2 3.72Å; L171-T178 HydrophobicContact CG-CG2 4.13Å; T178-Q195 VanDerWaalsContact N-NE2 3.18Å; T178-Q195 PolarHBondContact O-NE2 3.01Å; T178-N196 PolarHBondContact N-O 2.99Å; T178-N196 PolarHBondContact O-N 2.8Å
179	I	97.2	Very high	96.9	Very high	52 Å²	52	62.8 Å²	62.8	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.4	167.9	-64.5	-62.5	0	0	0	109.5	I90 T168 Y181 F193 V194 Q195	I90-I179 HydrophobicContact CG2-CD1 4.08Å; T168-I179 HydrophobicContact CG2-CD1 4Å; T168-I179 HydrophobicContact CG2-CG1 3.78Å; I179-Y181 HydrophobicContact CG2-CD2 3.98Å; I179-Y181 HydrophobicContact CG2-CE2 3.58Å; I179-F193 HydrophobicContact CD1-CD2 4.12Å; I179-F193 HydrophobicContact CD1-CE2 4.2Å; I179-F193 HydrophobicContact CG2-CB 4.22Å; I179-F193 HydrophobicContact CG2-CD2 3.84Å; I179-F193 HydrophobicContact CG2-CG 4.28Å; I179-V194 WeakPolarHBondContact CA-O 3.4Å; I179-Q195 HydrophobicContact CD1-CB 4.06Å
180	Q	96.4	Very high	96.7	Very high	86 Å²	86	67.1 Å²	67.1	40%	0.402	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.7	174.9	-177.2	178.1	1.9	0	0	110.6	M182 F193 V194 N196	Q180-M182 HydrophobicContact CG-CE 4.06Å; Q180-M182 HydrophobicContact CG-SD 4.21Å; Q180-F193 CarbonylContact O-C 3.59Å; Q180-F193 WeakPolarHBondContact O-CA 3.35Å; Q180-F193 WeakPolarHBondContact O-CB 3.36Å; Q180-V194 HydrophobicContact CB-CG2 4.14Å; Q180-V194 PolarHBondContact N-O 2.57Å; Q180-V194 PolarHBondContact O-N 3.25Å; Q180-N196 PolarHBondContact OE1-ND2 2.85Å
181	Y	96.4	Very high	96.4	Very high	150 Å²	150	66.8 Å²	66.8	59%	0.588	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	125	171.5	-73.3	-89.8	0	0	0	110.5	I179 T183 F193	I179-Y181 HydrophobicContact CG2-CD2 3.98Å; I179-Y181 HydrophobicContact CG2-CE2 3.58Å; Y181-T183 PolarHBondContact O-N 2.69Å; Y181-F193 HydrophobicContact CD1-CB 3.7Å; Y181-F193 HydrophobicContact CD1-CD1 4.48Å; Y181-F193 HydrophobicContact CD1-CG 4.42Å; Y181-F193 HydrophobicContact CE1-CB 3.9Å; Y181-F193 AromaticContact CE1-CD1 3.96Å; Y181-F193 HydrophobicContact CE1-CD1 3.96Å; Y181-F193 HydrophobicContact CE1-CG 4.13Å; Y181-F193 HydrophobicContact CG-CB 4.06Å
182	M	96.3	Very high	96.3	Very high	33 Å²	33	68.4 Å²	68.4	16%	0.163	36%	0.358	C	S	.	.			trans	-91.3	102.2	176.2	-57.1	-66.5	-175.4	0	0	109.4	Q180 R185 Y188 F192 V194	Q180-M182 HydrophobicContact CG-CE 4.06Å; Q180-M182 HydrophobicContact CG-SD 4.21Å; M182-R185 PolarHBondContact O-NH1 3.04Å; M182-Y188 HydrophobicContact CB-CD1 3.76Å; M182-Y188 HydrophobicContact CB-CD2 3.46Å; M182-Y188 VanDerWaalsContact CB-CD2 3.46Å; M182-Y188 HydrophobicContact CB-CE1 4.16Å; M182-Y188 HydrophobicContact CB-CE2 3.89Å; M182-Y188 HydrophobicContact CB-CG 3.38Å; M182-Y188 HydrophobicContact CG-CD1 3.93Å; M182-Y188 HydrophobicContact CG-CD2 4.19Å; M182-Y188 HydrophobicContact CG-CE1 3.91Å; M182-Y188 HydrophobicContact CG-CE2 4.17Å; M182-Y188 HydrophobicContact CG-CG 4.06Å; M182-Y188 HydrophobicContact SD-CE1 4.43Å; M182-Y188 HydrophobicContact SD-CE2 4.17Å; M182-F192 HydrophobicContact CB-CD1 3.81Å; M182-F192 HydrophobicContact CG-CD1 3.65Å; M182-F192 HydrophobicContact CG-CE1 3.98Å; M182-F192 PolarHBondContact N-O 3.09Å; M182-V194 HydrophobicContact CE-CG2 3.95Å
183	T	95.6	Very high	96.3	Very high	109 Å²	109	67.1 Å²	67.1	67%	0.669	35%	0.351	S	S	*	.			trans	-92.2	-13.1	-171.5	55	0	0	0	0	114	Y181 R185	Y181-T183 PolarHBondContact O-N 2.69Å; T183-R185 PolarHBondContact O-N 3.29Å
184	D	96.8	Very high	96.1	Very high	71 Å²	71	68.9 Å²	68.9	38%	0.38	36%	0.362	S	S	.	.			trans	-69.4	100	174.7	-178.3	0.1	0	0	0	110.9	T186 R187 Y188	D184-T186 VanDerWaalsContact CG-OG1 3.26Å; D184-T186 PolarHBondContact O-N 2.73Å; D184-T186 WeakPolarHBondContact OD1-CB 3.06Å; D184-T186 PolarHBondContact OD1-N 2.98Å; D184-T186 PolarHBondContact OD1-OG1 3.39Å; D184-T186 PolarHBondContact OD2-OG1 2.79Å; D184-R187 PolarHBondContact O-N 3.41Å; D184-R187 VanDerWaalsContact O-N 3.13Å; D184-R187 WeakPolarHBondContact OD2-CD 3.06Å; D184-Y188 HydrophobicContact CB-CD2 4.36Å; D184-Y188 PolarHBondContact O-N 2.94Å
185	R	95.4	Very high	96.1	Very high	143 Å²	143	70.2 Å²	70.2	54%	0.54	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.7	-178.5	-58.8	-53.8	-172.2	-148.5	-6.3	114	M182 T183 R187 P189	M182-R185 PolarHBondContact O-NH1 3.04Å; T183-R185 PolarHBondContact O-N 3.29Å; R185-R187 VanDerWaalsContact C-N 3.31Å; R185-P189 PolarHBondContact NH1-O 3.43Å
186	T	96.8	Very high	96	Very high	125 Å²	125	72.9 Å²	72.9	77%	0.767	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.5	172	71.9	0	0	0	0	112.1	D184	D184-T186 VanDerWaalsContact CG-OG1 3.26Å; D184-T186 PolarHBondContact O-N 2.73Å; D184-T186 WeakPolarHBondContact OD1-CB 3.06Å; D184-T186 PolarHBondContact OD1-N 2.98Å; D184-T186 PolarHBondContact OD1-OG1 3.39Å; D184-T186 PolarHBondContact OD2-OG1 2.79Å
187	R	96.6	Very high	95.9	Very high	178 Å²	178	73.7 Å²	73.7	67%	0.672	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-32.1	-176.3	-66.6	-176.8	64.4	-175.6	-1.1	113.8	D184 R185	D184-R187 PolarHBondContact O-N 3.41Å; D184-R187 VanDerWaalsContact O-N 3.13Å; D184-R187 WeakPolarHBondContact OD2-CD 3.06Å; R185-R187 VanDerWaalsContact C-N 3.31Å
188	Y	97.1	Very high	95.8	Very high	57 Å²	57	77 Å²	77	22%	0.224	40%	0.404	C	S	.	.	S	Bend	trans	-127.2	143.1	-169.7	-55.3	-84.3	0	0	0	112.5	M182 D184 F192	M182-Y188 HydrophobicContact CB-CD1 3.76Å; M182-Y188 HydrophobicContact CB-CD2 3.46Å; M182-Y188 VanDerWaalsContact CB-CD2 3.46Å; M182-Y188 HydrophobicContact CB-CE1 4.16Å; M182-Y188 HydrophobicContact CB-CE2 3.89Å; M182-Y188 HydrophobicContact CB-CG 3.38Å; M182-Y188 HydrophobicContact CG-CD1 3.93Å; M182-Y188 HydrophobicContact CG-CD2 4.19Å; M182-Y188 HydrophobicContact CG-CE1 3.91Å; M182-Y188 HydrophobicContact CG-CE2 4.17Å; M182-Y188 HydrophobicContact CG-CG 4.06Å; M182-Y188 HydrophobicContact SD-CE1 4.43Å; M182-Y188 HydrophobicContact SD-CE2 4.17Å; D184-Y188 HydrophobicContact CB-CD2 4.36Å; D184-Y188 PolarHBondContact O-N 2.94Å; Y188-F192 AromaticContact CD1-CD1 3.67Å; Y188-F192 HydrophobicContact CD1-CD1 3.67Å; Y188-F192 AromaticContact CD1-CE1 3.77Å; Y188-F192 HydrophobicContact CD1-CE1 3.77Å; Y188-F192 HydrophobicContact CD1-CG 4.31Å; Y188-F192 HydrophobicContact CE1-CD1 4.41Å; Y188-F192 HydrophobicContact CE1-CE1 4.14Å; Y188-F192 HydrophobicContact CG-CD1 4.27Å
189	P	95.5	Very high	95.7	Very high	85 Å²	85	76 Å²	76	55%	0.552	40%	0.396	S	S	*	.			trans	-66	164.7	177.9	25.6	-30.4	0	0	0	112.2	R185 G191 F192	R185-P189 PolarHBondContact NH1-O 3.43Å; P189-G191 PolarHBondContact O-N 3.37Å; P189-F192 HydrophobicContact CG-CB 3.99Å; P189-F192 HydrophobicContact CG-CD2 3.89Å; P189-F192 HydrophobicContact CG-CG 4.29Å; P189-F192 WeakPolarHBondContact O-CB 3.3Å; P189-F192 PolarHBondContact O-N 3.47Å
190	A	94.1	Very high	95.6	Very high	91 Å²	91	76.7 Å²	76.7	75%	0.752	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	127.2	177.6	0	0	0	0	0	111.2	F192	A190-F192 VanDerWaalsContact C-N 3.31Å; A190-F192 PolarHBondContact O-N 3.12Å
191	G	90.8	Very high	95.6	Very high	47 Å²	47	72.9 Å²	72.9	49%	0.485	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	8.9	178.5	0	0	0	0	0	115.7	P189 F193	P189-G191 PolarHBondContact O-N 3.37Å; G191-F193 WeakPolarHBondContact O-CD1 3.37Å; G191-F193 PolarHBondContact O-N 3.38Å
192	F	94.7	Very high	95.7	Very high	79 Å²	79	66.3 Å²	66.3	35%	0.346	36%	0.357	S	S	.	.			trans	-62.5	131.9	175.9	-169.6	-91.2	0	0	0	111.8	M182 Y188 P189 A190 V194	M182-F192 HydrophobicContact CB-CD1 3.81Å; M182-F192 HydrophobicContact CG-CD1 3.65Å; M182-F192 HydrophobicContact CG-CE1 3.98Å; M182-F192 PolarHBondContact N-O 3.09Å; Y188-F192 AromaticContact CD1-CD1 3.67Å; Y188-F192 HydrophobicContact CD1-CD1 3.67Å; Y188-F192 AromaticContact CD1-CE1 3.77Å; Y188-F192 HydrophobicContact CD1-CE1 3.77Å; Y188-F192 HydrophobicContact CD1-CG 4.31Å; Y188-F192 HydrophobicContact CE1-CD1 4.41Å; Y188-F192 HydrophobicContact CE1-CE1 4.14Å; Y188-F192 HydrophobicContact CG-CD1 4.27Å; P189-F192 HydrophobicContact CG-CB 3.99Å; P189-F192 HydrophobicContact CG-CD2 3.89Å; P189-F192 HydrophobicContact CG-CG 4.29Å; P189-F192 WeakPolarHBondContact O-CB 3.3Å; P189-F192 PolarHBondContact O-N 3.47Å; A190-F192 VanDerWaalsContact C-N 3.31Å; A190-F192 PolarHBondContact O-N 3.12Å; F192-V194 HydrophobicContact CE1-CG1 3.62Å; F192-V194 HydrophobicContact CZ-CG1 3.9Å
193	F	95.9	Very high	95.8	Very high	43 Å²	43	65.4 Å²	65.4	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.3	172.4	69.7	-90.5	0	0	0	109.8	I90 I179 Q180 Y181 G191	I90-F193 HydrophobicContact CB-CE2 3.89Å; I90-F193 HydrophobicContact CB-CZ 4.29Å; I90-F193 HydrophobicContact CG1-CE2 4.49Å; I90-F193 HydrophobicContact CG2-CE2 4Å; I179-F193 HydrophobicContact CD1-CD2 4.12Å; I179-F193 HydrophobicContact CD1-CE2 4.2Å; I179-F193 HydrophobicContact CG2-CB 4.22Å; I179-F193 HydrophobicContact CG2-CD2 3.84Å; I179-F193 HydrophobicContact CG2-CG 4.28Å; Q180-F193 CarbonylContact O-C 3.59Å; Q180-F193 WeakPolarHBondContact O-CA 3.35Å; Q180-F193 WeakPolarHBondContact O-CB 3.36Å; Y181-F193 HydrophobicContact CD1-CB 3.7Å; Y181-F193 HydrophobicContact CD1-CD1 4.48Å; Y181-F193 HydrophobicContact CD1-CG 4.42Å; Y181-F193 HydrophobicContact CE1-CB 3.9Å; Y181-F193 AromaticContact CE1-CD1 3.96Å; Y181-F193 HydrophobicContact CE1-CD1 3.96Å; Y181-F193 HydrophobicContact CE1-CG 4.13Å; Y181-F193 HydrophobicContact CG-CB 4.06Å; G191-F193 WeakPolarHBondContact O-CD1 3.37Å; G191-F193 PolarHBondContact O-N 3.38Å
194	V	94.8	Very high	95.9	Very high	43 Å²	43	60.4 Å²	60.4	26%	0.261	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.5	176	-65	0	0	0	0	110.2	I179 Q180 M182 F192 N196	I179-V194 WeakPolarHBondContact CA-O 3.4Å; Q180-V194 HydrophobicContact CB-CG2 4.14Å; Q180-V194 PolarHBondContact N-O 2.57Å; Q180-V194 PolarHBondContact O-N 3.25Å; M182-V194 HydrophobicContact CE-CG2 3.95Å; F192-V194 HydrophobicContact CE1-CG1 3.62Å; F192-V194 HydrophobicContact CZ-CG1 3.9Å; V194-N196 WeakPolarHBondContact CG2-OD1 3.48Å
195	Q	96.4	Very high	96	Very high	32 Å²	32	57 Å²	57	15%	0.15	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.3	166.9	175.3	70.4	69.1	0	0	107.9	I90 L169 T178 I179 T197	I90-Q195 HydrophobicContact CD1-CB 3.85Å; I90-Q195 HydrophobicContact CD1-CG 4.26Å; I90-Q195 HydrophobicContact CG1-CB 4.06Å; L169-Q195 PolarHBondContact O-NE2 3.38Å; L169-Q195 PolarHBondContact O-OE1 2.84Å; T178-Q195 VanDerWaalsContact N-NE2 3.18Å; T178-Q195 PolarHBondContact O-NE2 3.01Å; I179-Q195 HydrophobicContact CD1-CB 4.06Å; Q195-T197 HydrophobicContact CG-CG2 4.04Å
196	N	96	Very high	96.2	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.8	171.5	-58.7	-28.8	0	0	0	109	G177 T178 Q180 V194	G177-N196 CarbonylContact C-O 3.47Å; G177-N196 WeakPolarHBondContact CA-O 3.31Å; T178-N196 PolarHBondContact N-O 2.99Å; T178-N196 PolarHBondContact O-N 2.8Å; Q180-N196 PolarHBondContact OE1-ND2 2.85Å; V194-N196 WeakPolarHBondContact CG2-OD1 3.48Å
197	T	95.8	Very high	96.3	Very high	22 Å²	22	44.3 Å²	44.3	14%	0.135	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144	-176.9	51.1	0	0	0	0	108.7	L169 Q195 F199	L169-T197 HydrophobicContact CD1-CG2 4.16Å; Q195-T197 HydrophobicContact CG-CG2 4.04Å; T197-F199 VanDerWaalsContact CB-CE1 3.48Å; T197-F199 HydrophobicContact CG2-CD1 4.39Å; T197-F199 HydrophobicContact CG2-CE1 3.47Å; T197-F199 VanDerWaalsContact CG2-CE1 3.47Å; T197-F199 HydrophobicContact CG2-CE2 4.22Å; T197-F199 HydrophobicContact CG2-CZ 3.38Å
198	N	95.6	Very high	96.3	Very high	75 Å²	75	35.9 Å²	35.9	40%	0.401	21%	0.21	S	C	.	.			trans	-115.3	42.3	177.4	-54.5	-55.1	0	0	0	111.1	G404 K406	N198-G404 WeakPolarHBondContact O-CA 3.28Å; N198-K406 HydrophobicContact CB-CB 4.19Å; N198-K406 HydrophobicContact CB-CG 3.75Å
199	F	95.4	Very high	96.4	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.075	20%	0.2	C	C	.	.	S	Bend	trans	-138.1	143.8	178.8	54.4	-99.4	0	0	0	109.6	L169 P175 T197 F201 N203 V403	L169-F199 HydrophobicContact CD1-CE1 3.68Å; L169-F199 HydrophobicContact CD1-CZ 3.5Å; P175-F199 HydrophobicContact CB-CD1 3.52Å; P175-F199 HydrophobicContact CB-CE1 3.53Å; P175-F199 HydrophobicContact CB-CG 4.3Å; P175-F199 HydrophobicContact CB-CZ 4.33Å; P175-F199 HydrophobicContact CG-CD1 3.87Å; P175-F199 HydrophobicContact CG-CE1 3.45Å; P175-F199 VanDerWaalsContact CG-CE1 3.45Å; P175-F199 HydrophobicContact CG-CE2 4.4Å; P175-F199 HydrophobicContact CG-CG 4.48Å; P175-F199 HydrophobicContact CG-CZ 3.76Å; T197-F199 VanDerWaalsContact CB-CE1 3.48Å; T197-F199 HydrophobicContact CG2-CD1 4.39Å; T197-F199 HydrophobicContact CG2-CE1 3.47Å; T197-F199 VanDerWaalsContact CG2-CE1 3.47Å; T197-F199 HydrophobicContact CG2-CE2 4.22Å; T197-F199 HydrophobicContact CG2-CZ 3.38Å; F199-F201 HydrophobicContact CB-CD1 4.39Å; F199-F201 HydrophobicContact CB-CE1 3.88Å; F199-F201 HydrophobicContact CB-CZ 4.38Å; F199-F201 AromaticContact CD2-CD1 3.87Å; F199-F201 HydrophobicContact CD2-CD1 3.87Å; F199-F201 AromaticContact CD2-CD2 3.92Å; F199-F201 HydrophobicContact CD2-CD2 3.92Å; F199-F201 AromaticContact CD2-CE1 3.56Å; F199-F201 HydrophobicContact CD2-CE1 3.56Å; F199-F201 AromaticContact CD2-CE2 3.64Å; F199-F201 HydrophobicContact CD2-CE2 3.64Å; F199-F201 HydrophobicContact CD2-CG 4.04Å; F199-F201 AromaticContact CD2-CZ 3.45Å; F199-F201 HydrophobicContact CD2-CZ 3.45Å; F199-F201 VanDerWaalsContact CD2-CZ 3.45Å; F199-F201 HydrophobicContact CE2-CD2 4.01Å; F199-F201 HydrophobicContact CE2-CE1 4.41Å; F199-F201 AromaticContact CE2-CE2 3.65Å; F199-F201 HydrophobicContact CE2-CE2 3.65Å; F199-F201 AromaticContact CE2-CZ 3.88Å; F199-F201 HydrophobicContact CE2-CZ 3.88Å; F199-F201 WeakPolarHBondContact CE2-O 3.45Å; F199-F201 AromaticContact CG-CE1 3.97Å; F199-F201 HydrophobicContact CG-CE1 3.97Å; F199-F201 AromaticContact CG-CZ 3.99Å; F199-F201 HydrophobicContact CG-CZ 3.99Å; F199-F201 PolarHBondContact O-N 2.85Å; F199-N203 HydrophobicContact CZ-CB 4.47Å; F199-V403 HydrophobicContact CB-CG1 4.07Å; F199-V403 HydrophobicContact CB-CG2 3.94Å
200	D	95.3	Very high	96.5	Very high	68 Å²	68	29.9 Å²	29.9	36%	0.364	18%	0.178	S	C	.	.	S	Bend	trans	-96.7	64.9	-170.6	-170.7	31.5	0	0	0	112	F585 T587	D200-F585 WeakPolarHBondContact O-CE2 3.45Å; D200-T587 VanDerWaalsContact OD1-CG2 3.23Å; D200-T587 WeakPolarHBondContact OD1-CG2 3.35Å
201	F	97.1	Very high	96.8	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.022	14%	0.142	C	C	.	.	S	Bend	trans	-160.3	153.6	165.5	55.6	-90.3	0	0	0	109.1	P175 F199 N203 H344 H378 Y379 V403 F585	P175-F201 HydrophobicContact CG-CZ 4.38Å; F199-F201 HydrophobicContact CB-CD1 4.39Å; F199-F201 HydrophobicContact CB-CE1 3.88Å; F199-F201 HydrophobicContact CB-CZ 4.38Å; F199-F201 AromaticContact CD2-CD1 3.87Å; F199-F201 HydrophobicContact CD2-CD1 3.87Å; F199-F201 AromaticContact CD2-CD2 3.92Å; F199-F201 HydrophobicContact CD2-CD2 3.92Å; F199-F201 AromaticContact CD2-CE1 3.56Å; F199-F201 HydrophobicContact CD2-CE1 3.56Å; F199-F201 AromaticContact CD2-CE2 3.64Å; F199-F201 HydrophobicContact CD2-CE2 3.64Å; F199-F201 HydrophobicContact CD2-CG 4.04Å; F199-F201 AromaticContact CD2-CZ 3.45Å; F199-F201 HydrophobicContact CD2-CZ 3.45Å; F199-F201 VanDerWaalsContact CD2-CZ 3.45Å; F199-F201 HydrophobicContact CE2-CD2 4.01Å; F199-F201 HydrophobicContact CE2-CE1 4.41Å; F199-F201 AromaticContact CE2-CE2 3.65Å; F199-F201 HydrophobicContact CE2-CE2 3.65Å; F199-F201 AromaticContact CE2-CZ 3.88Å; F199-F201 HydrophobicContact CE2-CZ 3.88Å; F199-F201 WeakPolarHBondContact CE2-O 3.45Å; F199-F201 AromaticContact CG-CE1 3.97Å; F199-F201 HydrophobicContact CG-CE1 3.97Å; F199-F201 AromaticContact CG-CZ 3.99Å; F199-F201 HydrophobicContact CG-CZ 3.99Å; F199-F201 PolarHBondContact O-N 2.85Å; F201-N203 PolarHBondContact O-N 2.98Å; F201-H344 AromaticContact CD1-CE1 3.77Å; F201-H344 AromaticContact CG-CE1 3.96Å; F201-H378 HydrophobicContact CE1-CB 4.07Å; F201-H378 AromaticContact CE1-CD2 3.95Å; F201-Y379 HydrophobicContact CD2-CE1 4.28Å; F201-Y379 HydrophobicContact CE2-CD1 4.36Å; F201-Y379 AromaticContact CE2-CE1 3.98Å; F201-Y379 HydrophobicContact CE2-CE1 3.98Å; F201-Y379 HydrophobicContact CZ-CD1 4.21Å; F201-Y379 HydrophobicContact CZ-CE1 4.15Å; F201-V403 HydrophobicContact CE1-CG1 3.79Å; F201-V403 HydrophobicContact CZ-CG1 3.95Å; F201-F585 HydrophobicContact CB-CD2 4.37Å; F201-F585 HydrophobicContact CB-CE2 4.24Å
202	F	97.9	Very high	97.1	Very high	12 Å²	12	24.3 Å²	24.3	5%	0.053	12%	0.124	C	C	.	.			trans	-67.4	134.9	-178.4	-170.7	-101.5	0	0	0	111.6	N78 R87 Y204 K352 M586	N78-F202 HydrophobicContact CB-CE1 3.83Å; R87-F202 HydrophobicContact CG-CZ 4.31Å; R87-F202 VanDerWaalsContact NH1-CE2 3.31Å; F202-Y204 HydrophobicContact CB-CD2 4.13Å; F202-Y204 HydrophobicContact CB-CE2 4.02Å; F202-Y204 AromaticContact CD1-CD1 3.56Å; F202-Y204 HydrophobicContact CD1-CD1 3.56Å; F202-Y204 AromaticContact CD1-CD2 3.79Å; F202-Y204 HydrophobicContact CD1-CD2 3.79Å; F202-Y204 AromaticContact CD1-CE1 3.64Å; F202-Y204 HydrophobicContact CD1-CE1 3.64Å; F202-Y204 AromaticContact CD1-CE2 3.88Å; F202-Y204 HydrophobicContact CD1-CE2 3.88Å; F202-Y204 AromaticContact CD1-CG 3.62Å; F202-Y204 HydrophobicContact CD1-CG 3.62Å; F202-Y204 AromaticContact CD1-CZ 3.79Å; F202-Y204 AromaticContact CE1-CD1 3.85Å; F202-Y204 HydrophobicContact CE1-CD1 3.85Å; F202-Y204 AromaticContact CE1-CE1 3.95Å; F202-Y204 HydrophobicContact CE1-CE1 3.95Å; F202-Y204 HydrophobicContact CE1-CG 4.29Å; F202-Y204 HydrophobicContact CG-CD2 4.46Å; F202-Y204 HydrophobicContact CG-CE2 4.38Å; F202-Y204 PolarHBondContact O-N 2.99Å; F202-K352 PolarHBondContact O-NZ 3.32Å; F202-M586 HydrophobicContact CB-CB 4.15Å; F202-M586 HydrophobicContact CB-CG 3.83Å; F202-M586 HydrophobicContact CG-CG 4.19Å; F202-M586 PolarHBondContact N-O 3.03Å
203	N	97.7	Very high	97.3	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.08	11%	0.108	C	C	.	.			trans	-72.8	57.7	175.6	-172.8	32.1	0	0	0	111.5	H121 N167 F199 F201	H121-N203 PolarHBondContact CE1-OD1 3.36Å; H121-N203 PolarHBondContact NE2-OD1 3.46Å; H121-N203 VanDerWaalsContact NE2-OD1 3.1Å; N167-N203 PolarHBondContact O-ND2 2.92Å; F199-N203 HydrophobicContact CZ-CB 4.47Å; F201-N203 PolarHBondContact O-N 2.98Å
204	Y	98.7	Very high	97.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.016	10%	0.102	C	C	.	.			trans	-54.6	138.3	171.9	-83.5	-60.6	0	0	0	110.3	S76 N78 D79 H121 F202 H208 K352 M586	S76-Y204 VanDerWaalsContact CB-CD1 3.47Å; N78-Y204 HydrophobicContact CB-CD1 3.82Å; N78-Y204 HydrophobicContact CB-CE1 3.95Å; N78-Y204 WeakPolarHBondContact OD1-CD1 3.26Å; D79-Y204 WeakPolarHBondContact OD2-CE1 3.49Å; D79-Y204 VanDerWaalsContact OD2-CZ 3.29Å; D79-Y204 PolarHBondContact OD2-OH 3.07Å; H121-Y204 PolarHBondContact CD2-O 2.95Å; F202-Y204 HydrophobicContact CB-CD2 4.13Å; F202-Y204 HydrophobicContact CB-CE2 4.02Å; F202-Y204 AromaticContact CD1-CD1 3.56Å; F202-Y204 HydrophobicContact CD1-CD1 3.56Å; F202-Y204 AromaticContact CD1-CD2 3.79Å; F202-Y204 HydrophobicContact CD1-CD2 3.79Å; F202-Y204 AromaticContact CD1-CE1 3.64Å; F202-Y204 HydrophobicContact CD1-CE1 3.64Å; F202-Y204 AromaticContact CD1-CE2 3.88Å; F202-Y204 HydrophobicContact CD1-CE2 3.88Å; F202-Y204 AromaticContact CD1-CG 3.62Å; F202-Y204 HydrophobicContact CD1-CG 3.62Å; F202-Y204 AromaticContact CD1-CZ 3.79Å; F202-Y204 AromaticContact CE1-CD1 3.85Å; F202-Y204 HydrophobicContact CE1-CD1 3.85Å; F202-Y204 AromaticContact CE1-CE1 3.95Å; F202-Y204 HydrophobicContact CE1-CE1 3.95Å; F202-Y204 HydrophobicContact CE1-CG 4.29Å; F202-Y204 HydrophobicContact CG-CD2 4.46Å; F202-Y204 HydrophobicContact CG-CE2 4.38Å; F202-Y204 PolarHBondContact O-N 2.99Å; Y204-H208 PolarHBondContact O-NE2 2.68Å; Y204-K352 HydrophobicContact CD2-CG 4.29Å; Y204-M586 HydrophobicContact CE2-CB 3.88Å; Y204-M586 HydrophobicContact CE2-CG 4.33Å; Y204-M586 WeakPolarHBondContact OH-CB 3.49Å; Y204-M586 WeakPolarHBondContact OH-CG 3.29Å
205	A	98.7	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.			trans	-136	159.4	-179.1	0	0	0	0	0	112.2	S76 Y77 N78 H121 N167	S76-A205 CarbonylContact C-O 3.55Å; S76-A205 VanDerWaalsContact CA-O 3.25Å; S76-A205 WeakPolarHBondContact CA-O 3.5Å; Y77-A205 HydrophobicContact CD1-CB 4.37Å; Y77-A205 WeakPolarHBondContact CD1-O 3.44Å; Y77-A205 HydrophobicContact CE1-CB 3.5Å; Y77-A205 WeakPolarHBondContact CE1-O 3.47Å; Y77-A205 PolarHBondContact N-O 2.94Å; N78-A205 PolarHBondContact OD1-N 2.96Å; N78-A205 PolarHBondContact OD1-O 2.77Å; H121-A205 HydrophobicContact CB-CB 4.38Å; N167-A205 HydrophobicContact CB-CB 3.41Å; N167-A205 VanDerWaalsContact CB-CB 3.41Å
206	G	98.6	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-156.4	-176.4	0	0	0	0	0	111.8	A120 H121	A120-G206 WeakPolarHBondContact CA-O 3.28Å; H121-G206 PolarHBondContact N-O 2.79Å
207	I	98.9	Very high	97.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	93.7	176.1	-55.2	177.7	0	0	0	106.8	V73 P74 A75 Y95 V117 A120 I163 V165 V211	V73-I207 HydrophobicContact CG1-CB 3.96Å; V73-I207 HydrophobicContact CG1-CG2 3.6Å; V73-I207 HydrophobicContact CG2-CB 4.19Å; V73-I207 HydrophobicContact CG2-CD1 4.34Å; P74-I207 WeakPolarHBondContact CA-O 3.44Å; A75-I207 PolarHBondContact N-O 2.98Å; A75-I207 CarbonylContact O-C 3.4Å; Y95-I207 HydrophobicContact CD1-CD1 4.05Å; Y95-I207 HydrophobicContact CD2-CD1 3.96Å; Y95-I207 HydrophobicContact CD2-CG1 4.17Å; Y95-I207 HydrophobicContact CE2-CD1 4.46Å; Y95-I207 HydrophobicContact CE2-CG1 4.21Å; Y95-I207 HydrophobicContact CG-CD1 3.74Å; Y95-I207 HydrophobicContact CG-CG1 4.36Å; V117-I207 HydrophobicContact CG1-CG2 4.35Å; A120-I207 HydrophobicContact CB-CG1 4.24Å; I163-I207 HydrophobicContact CB-CD1 4.34Å; I163-I207 HydrophobicContact CD1-CD1 3.97Å; I163-I207 HydrophobicContact CG2-CD1 4.41Å; V165-I207 HydrophobicContact CG2-CG1 4.33Å; I207-V211 HydrophobicContact CG2-CG2 3.59Å
208	H	98.3	Very high	97.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.089	C	C	.	.			trans	-80	-19.7	-168.3	-56.8	-53	0	0	0	113.9	P74 S76 S119 H121 Y204 K352 L354	P74-H208 WeakPolarHBondContact CB-O 3.25Å; S76-H208 PolarHBondContact OG-CE1 2.97Å; S76-H208 VanDerWaalsContact OG-CE1 3.24Å; S76-H208 PolarHBondContact OG-ND1 3.31Å; S76-H208 VanDerWaalsContact OG-ND1 3.15Å; S119-H208 PolarHBondContact O-N 2.98Å; H121-H208 WeakPolarHBondContact CB-NE2 3.45Å; Y204-H208 PolarHBondContact O-NE2 2.68Å; H208-K352 HydrophobicContact CB-CB 4.18Å; H208-L354 PolarHBondContact O-N 2.9Å
209	R	98.6	Very high	97.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.008	7%	0.072	C	C	.	.	S	Bend	trans	-128.8	161.8	-175.9	-68.1	179.8	-166.8	155.4	9.9	111.5	S119 H140 V211 E345 P380 Y381 A382 R429	S119-R209 WeakPolarHBondContact OG-CD 3.49Å; S119-R209 WeakPolarHBondContact OG-CG 3.44Å; H140-R209 PolarHBondContact O-NH1 3.04Å; R209-V211 PolarHBondContact O-N 2.84Å; R209-E345 IonicContact CZ-OE1 3.94Å; R209-E345 IonicContact CZ-OE2 3.56Å; R209-E345 IonicContact NE-OE1 2.87Å; R209-E345 IonicContact NE-OE2 3.55Å; R209-E345 IonicContact NH2-OE1 3.97Å; R209-E345 IonicContact NH2-OE2 3.17Å; R209-E345 PolarHBondContact NH2-OE2 2.68Å; R209-P380 PolarHBondContact NH2-O 2.84Å; R209-Y381 PolarHBondContact NH1-O 3.19Å; R209-Y381 PolarHBondContact NH2-O 2.99Å; R209-A382 HydrophobicContact CG-CB 4.26Å; R209-A382 VanDerWaalsContact CZ-CA 3.45Å; R209-A382 VanDerWaalsContact NE-CA 3.31Å; R209-A382 VanDerWaalsContact NH2-N 3.17Å; R209-R429 VanDerWaalsContact NH1-NH1 3.17Å
210	P	98.4	Very high	97.7	Very high	14 Å²	14	14.8 Å²	14.8	9%	0.091	7%	0.072	C	C	.	.			trans	-52.7	141.2	-173.9	-30.1	37.1	0	0	0	113.8	N36 G118 L354	N36-P210 WeakPolarHBondContact OD1-CA 3.15Å; G118-P210 PolarHBondContact N-O 2.77Å; P210-L354 HydrophobicContact CG-CD2 3.76Å
211	V	98.8	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.3	164.8	-175	0	0	0	0	106.8	L35 W39 V73 L115 R116 V117 I207 R209	L35-V211 WeakPolarHBondContact CA-O 3.29Å; L35-V211 HydrophobicContact CB-CB 4.25Å; L35-V211 HydrophobicContact CB-CG1 4.32Å; L35-V211 WeakPolarHBondContact CB-O 3.23Å; L35-V211 HydrophobicContact CD1-CG1 4.09Å; L35-V211 PolarHBondContact N-O 2.81Å; W39-V211 HydrophobicContact CH2-CG1 4.18Å; W39-V211 HydrophobicContact CZ2-CB 4.07Å; W39-V211 HydrophobicContact CZ2-CG1 4.08Å; W39-V211 HydrophobicContact CZ2-CG2 4.23Å; V73-V211 HydrophobicContact CG1-CG2 4.02Å; L115-V211 HydrophobicContact CD1-CG1 3.69Å; R116-V211 WeakPolarHBondContact O-CA 3.35Å; V117-V211 HydrophobicContact CG1-CG2 4.37Å; V117-V211 HydrophobicContact CG2-CG1 4.31Å; V117-V211 HydrophobicContact CG2-CG2 4.46Å; I207-V211 HydrophobicContact CG2-CG2 3.59Å; R209-V211 PolarHBondContact O-N 2.84Å
212	L	98.3	Very high	97.8	Very high	21 Å²	21	12 Å²	12	11%	0.11	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.2	-178.7	64.9	94.2	0	0	0	111.7	P24 L32 K33 R116 Y214	P24-L212 HydrophobicContact CB-CD1 3.99Å; P24-L212 HydrophobicContact CB-CD2 4.47Å; P24-L212 HydrophobicContact CG-CD1 3.95Å; P24-L212 HydrophobicContact CG-CD2 4.25Å; L32-L212 HydrophobicContact CD2-CD1 4.04Å; K33-L212 WeakPolarHBondContact O-CA 3.39Å; R116-L212 HydrophobicContact CB-CD1 4.21Å; R116-L212 HydrophobicContact CB-CG 4.24Å; R116-L212 PolarHBondContact N-O 3.16Å; R116-L212 PolarHBondContact O-N 3.08Å; L212-Y214 HydrophobicContact CD1-CD1 3.77Å; L212-Y214 HydrophobicContact CD1-CG 4.25Å
213	L	98.7	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.9	159.1	-56.8	178.1	0	0	0	108.7	K33 L35 V99 V101 W105 V114 L115 I147 I161	K33-L213 HydrophobicContact CB-CB 4.44Å; K33-L213 PolarHBondContact N-O 3.24Å; K33-L213 PolarHBondContact O-N 2.89Å; L35-L213 HydrophobicContact CD1-CD2 4.34Å; L35-L213 HydrophobicContact CD1-CG 4.01Å; L35-L213 HydrophobicContact CD2-CG 4.33Å; L35-L213 HydrophobicContact CG-CG 4.4Å; V99-L213 HydrophobicContact CG1-CD1 4.48Å; V101-L213 HydrophobicContact CG2-CD1 3.93Å; W105-L213 HydrophobicContact CH2-CB 4.35Å; W105-L213 HydrophobicContact CZ3-CB 3.67Å; V114-L213 CarbonylContact O-C 3.51Å; V114-L213 VanDerWaalsContact O-CA 3.25Å; V114-L213 WeakPolarHBondContact O-CA 3.46Å; L115-L213 HydrophobicContact CB-CD2 3.84Å; L115-L213 HydrophobicContact CD1-CD2 3.71Å; L115-L213 HydrophobicContact CG-CD2 4.36Å; I147-L213 HydrophobicContact CD1-CD2 3.61Å; I161-L213 HydrophobicContact CD1-CD2 4.31Å
214	Y	98.7	Very high	97.9	Very high	15 Å²	15	12 Å²	12	6%	0.059	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.2	170.3	75.6	-93.8	0	0	0	111.7	P24 E31 R112 V114 R116 E144 L212 T216	P24-Y214 HydrophobicContact CB-CD1 4.24Å; P24-Y214 HydrophobicContact CB-CG 4.29Å; P24-Y214 HydrophobicContact CG-CD1 4.02Å; P24-Y214 HydrophobicContact CG-CE1 4.25Å; E31-Y214 CarbonylContact O-C 3.55Å; E31-Y214 VanDerWaalsContact O-CA 3.26Å; E31-Y214 WeakPolarHBondContact O-CA 3.33Å; R112-Y214 PolarHBondContact NH1-OH 2.8Å; V114-Y214 HydrophobicContact CB-CD1 3.8Å; V114-Y214 HydrophobicContact CB-CD2 4.32Å; V114-Y214 HydrophobicContact CB-CE1 3.42Å; V114-Y214 VanDerWaalsContact CB-CE1 3.42Å; V114-Y214 HydrophobicContact CB-CE2 3.97Å; V114-Y214 HydrophobicContact CB-CG 4.24Å; V114-Y214 HydrophobicContact CG1-CD1 4.12Å; V114-Y214 HydrophobicContact CG1-CE1 3.36Å; V114-Y214 HydrophobicContact CG2-CD2 4.38Å; V114-Y214 HydrophobicContact CG2-CE1 4.1Å; V114-Y214 HydrophobicContact CG2-CE2 3.79Å; V114-Y214 PolarHBondContact N-O 3.24Å; V114-Y214 PolarHBondContact O-N 3.12Å; R116-Y214 HydrophobicContact CB-CD1 4.32Å; R116-Y214 HydrophobicContact CB-CE1 4.22Å; E144-Y214 PolarHBondContact OE1-OH 2.84Å; E144-Y214 VanDerWaalsContact OE2-CE1 3.29Å; E144-Y214 WeakPolarHBondContact OE2-CE1 3.48Å; E144-Y214 PolarHBondContact OE2-OH 2.78Å; L212-Y214 HydrophobicContact CD1-CD1 3.77Å; L212-Y214 HydrophobicContact CD1-CG 4.25Å; Y214-T216 HydrophobicContact CD2-CG2 4.02Å; Y214-T216 HydrophobicContact CE2-CG2 3.74Å
215	T	98.6	Very high	97.9	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.8	173.9	62.3	0	0	0	0	112.7	R30 E31 W105 R112 V113	R30-T215 WeakPolarHBondContact CA-O 3.11Å; R30-T215 WeakPolarHBondContact CB-O 3.09Å; E31-T215 WeakPolarHBondContact CB-OG1 3.26Å; E31-T215 PolarHBondContact N-OG1 3.46Å; E31-T215 VanDerWaalsContact N-OG1 3.09Å; E31-T215 PolarHBondContact O-N 2.85Å; W105-T215 HydrophobicContact CD2-CG2 3.25Å; W105-T215 HydrophobicContact CE3-CG2 3.42Å; W105-T215 VanDerWaalsContact CE3-CG2 3.42Å; W105-T215 HydrophobicContact CG-CG2 3.77Å; W105-T215 HydrophobicContact CH2-CG2 3.84Å; W105-T215 HydrophobicContact CZ2-CG2 3.72Å; W105-T215 HydrophobicContact CZ3-CG2 3.69Å; R112-T215 WeakPolarHBondContact O-CA 3.14Å; V113-T215 HydrophobicContact CG2-CG2 4.17Å
216	T	98.2	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	166.8	162.4	68.1	0	0	0	0	108.2	R30 R112 Y214	R30-T216 HydrophobicContact CG-CG2 4.17Å; R112-T216 WeakPolarHBondContact CD-OG1 3.37Å; R112-T216 PolarHBondContact N-O 3.1Å; R112-T216 PolarHBondContact O-N 3.47Å; Y214-T216 HydrophobicContact CD2-CG2 4.02Å; Y214-T216 HydrophobicContact CE2-CG2 3.74Å
217	P	96.3	Very high	97.9	Very high	10 Å²	10	17.5 Å²	17.5	7%	0.065	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	160.8	158.3	-17.4	32.6	0	0	0	110.5	A219 E310 D311	P217-A219 VanDerWaalsContact C-N 3.27Å; P217-A219 PolarHBondContact O-N 2.82Å; P217-E310 WeakPolarHBondContact CG-O 3.46Å; P217-D311 HydrophobicContact CG-CB 3.91Å
218	K	94.3	Very high	97.9	Very high	120 Å²	120	18.3 Å²	18.3	52%	0.522	10%	0.097	S	C	.	.	S	Bend	trans	-59.4	-36.3	175.2	-83.8	178.5	167.1	167.5	0	113.6	D109 G110 Y220 G245	D109-K218 WeakPolarHBondContact O-CE 3.48Å; D109-K218 PolarHBondContact O-NZ 3Å; G110-K218 PolarHBondContact O-N 3.04Å; G110-K218 VanDerWaalsContact O-N 3.07Å; K218-Y220 VanDerWaalsContact O-CD1 3.23Å; K218-Y220 WeakPolarHBondContact O-CD1 3.31Å; K218-G245 WeakPolarHBondContact O-CA 3.24Å
219	A	95	Very high	97.9	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.041	11%	0.113	C	C	.	.	S	Bend	trans	-91.2	114.5	167.4	0	0	0	0	0	108.8	P217 K244 T246 L300 A302	P217-A219 VanDerWaalsContact C-N 3.27Å; P217-A219 PolarHBondContact O-N 2.82Å; A219-K244 VanDerWaalsContact CA-O 3.31Å; A219-K244 WeakPolarHBondContact CA-O 3.18Å; A219-T246 HydrophobicContact CB-CG2 3.6Å; A219-L300 HydrophobicContact CB-CD2 4.42Å; A219-A302 HydrophobicContact CB-CB 3.42Å; A219-A302 VanDerWaalsContact CB-CB 3.42Å
220	Y	96.8	Very high	97.9	Very high	16 Å²	16	22.8 Å²	22.8	6%	0.063	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.8	-170.9	60.7	-87.6	0	0	0	113.1	R112 E146 K218 D222 V243 K244 D311	R112-Y220 PolarHBondContact NE-OH 3.14Å; E146-Y220 PolarHBondContact OE1-OH 3.28Å; K218-Y220 VanDerWaalsContact O-CD1 3.23Å; K218-Y220 WeakPolarHBondContact O-CD1 3.31Å; Y220-D222 HydrophobicContact CD2-CB 4.2Å; Y220-D222 HydrophobicContact CE2-CB 3.89Å; Y220-D222 PolarHBondContact O-N 3.19Å; Y220-V243 WeakPolarHBondContact O-CA 3.29Å; Y220-K244 HydrophobicContact CE1-CB 3.91Å; Y220-K244 HydrophobicContact CE2-CB 3.89Å; Y220-K244 PolarHBondContact N-O 3.34Å; Y220-K244 PolarHBondContact O-N 3.36Å; Y220-D311 VanDerWaalsContact CA-OD2 3.32Å; Y220-D311 WeakPolarHBondContact CA-OD2 3.39Å
221	V	97.8	Very high	97.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112	166.9	179	0	0	0	0	108.7	L22 R30 I224 V241 V298 L300 D311	L22-V221 HydrophobicContact CD1-CG1 4.09Å; R30-V221 PolarHBondContact NH2-O 3.47Å; V221-I224 HydrophobicContact CG1-CD1 3.96Å; V221-I224 HydrophobicContact CG1-CG1 3.69Å; V221-V241 HydrophobicContact CG1-CG1 3.68Å; V221-V241 HydrophobicContact CG2-CG1 4.25Å; V221-V298 HydrophobicContact CG2-CB 4.35Å; V221-V298 HydrophobicContact CG2-CG1 3.65Å; V221-L300 HydrophobicContact CG2-CB 4.26Å; V221-D311 PolarHBondContact N-OD2 3Å
222	D	97.8	Very high	97.6	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-44.1	-175.9	179.2	66.1	0	0	0	111.3	G20 Y220 S242 K244	G20-D222 WeakPolarHBondContact CA-O 3.48Å; G20-D222 PolarHBondContact N-OD1 2.9Å; G20-D222 PolarHBondContact N-OD2 3.15Å; Y220-D222 HydrophobicContact CD2-CB 4.2Å; Y220-D222 HydrophobicContact CE2-CB 3.89Å; Y220-D222 PolarHBondContact O-N 3.19Å; D222-S242 PolarHBondContact N-O 3.18Å; D222-K244 HydrophobicContact CB-CB 4.33Å; D222-K244 HydrophobicContact CB-CD 4.18Å; D222-K244 HydrophobicContact CB-CG 3.89Å; D222-K244 WeakPolarHBondContact OD2-CE 3.44Å
223	D	98.4	Very high	97.5	Very high	28 Å²	28	37.6 Å²	37.6	15%	0.15	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.2	-178.9	-172.2	34.6	0	0	0	111.2	V241 S242 K431	D223-V241 WeakPolarHBondContact O-CA 3.37Å; D223-S242 PolarHBondContact N-O 3.02Å; D223-S242 PolarHBondContact O-N 3.34Å; D223-K431 WeakPolarHBondContact OD1-CE 3.42Å; D223-K431 IonicContact OD1-NZ 3.7Å; D223-K431 PolarHBondContact OD1-NZ 3.29Å; D223-K431 IonicContact OD2-NZ 2.74Å; D223-K431 PolarHBondContact OD2-NZ 3.18Å
224	I	98.6	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.2	171.4	-58.8	171.4	0	0	0	106.6	L22 V221 V226 S240 V241 L296 V298 Y313 L315 N432	L22-I224 HydrophobicContact CD1-CD1 4.32Å; L22-I224 HydrophobicContact CD1-CG1 4.11Å; L22-I224 HydrophobicContact CD2-CB 4.34Å; V221-I224 HydrophobicContact CG1-CD1 3.96Å; V221-I224 HydrophobicContact CG1-CG1 3.69Å; I224-V226 HydrophobicContact CG2-CG2 3.93Å; I224-S240 WeakPolarHBondContact CA-O 3.4Å; I224-V241 HydrophobicContact CG1-CG1 4.41Å; I224-V241 HydrophobicContact CG1-CG2 4.45Å; I224-L296 HydrophobicContact CG2-CD2 4.14Å; I224-V298 HydrophobicContact CD1-CG2 3.79Å; I224-Y313 HydrophobicContact CD1-CD1 3.48Å; I224-Y313 VanDerWaalsContact CD1-CD1 3.48Å; I224-Y313 HydrophobicContact CD1-CE1 3.98Å; I224-Y313 HydrophobicContact CD1-CG 4.42Å; I224-L315 HydrophobicContact CB-CD2 4.11Å; I224-L315 HydrophobicContact CD1-CB 4.35Å; I224-L315 HydrophobicContact CG2-CD2 3.66Å; I224-N432 PolarHBondContact O-ND2 3.38Å
225	T	98.8	Very high	97.4	Very high	48 Å²	48	38.8 Å²	38.8	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.6	170.9	-59.5	0	0	0	0	108.8	Y239 S240 K431	T225-Y239 CarbonylContact O-C 3.57Å; T225-Y239 VanDerWaalsContact O-CA 3.28Å; T225-Y239 WeakPolarHBondContact O-CA 3.32Å; T225-S240 PolarHBondContact N-O 3.41Å; T225-S240 PolarHBondContact O-N 3.22Å; T225-K431 HydrophobicContact CG2-CD 4.34Å; T225-K431 WeakPolarHBondContact OG1-CE 3.38Å; T225-K431 PolarHBondContact OG1-NZ 3.03Å
226	V	98.8	Very high	97.4	Very high	17 Å²	17	40 Å²	40	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.7	177.4	178.8	0	0	0	0	110.2	I224 T228 V237 R238 L296 L315 V317 N432	I224-V226 HydrophobicContact CG2-CG2 3.93Å; V226-T228 HydrophobicContact CG1-CG2 3.9Å; V226-V237 HydrophobicContact CG1-CG1 3.66Å; V226-R238 WeakPolarHBondContact CA-O 3.29Å; V226-L296 HydrophobicContact CG2-CD2 3.66Å; V226-L315 HydrophobicContact CG2-CD2 3.8Å; V226-V317 HydrophobicContact CG1-CG1 3.89Å; V226-V317 HydrophobicContact CG1-CG2 4.18Å; V226-V317 HydrophobicContact CG2-CG2 4.21Å; V226-N432 PolarHBondContact N-OD1 2.92Å
227	V	98.7	Very high	97.5	Very high	54 Å²	54	40 Å²	40	33%	0.327	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.4	170.1	177.1	0	0	0	0	108.5	R238 T469	V227-R238 HydrophobicContact CB-CB 4.46Å; V227-R238 PolarHBondContact N-O 3.27Å; V227-R238 WeakPolarHBondContact O-CB 3.31Å; V227-R238 PolarHBondContact O-N 3.4Å; V227-T469 HydrophobicContact CB-CG2 4.3Å; V227-T469 HydrophobicContact CG1-CG2 3.57Å; V227-T469 HydrophobicContact CG2-CG2 3.79Å
228	T	98.8	Very high	97.6	Very high	16 Å²	16	45 Å²	45	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.5	-176.1	60.9	0	0	0	0	112.2	V226 L236 V237 V317 I319 R320	V226-T228 HydrophobicContact CG1-CG2 3.9Å; T228-L236 CarbonylContact C-O 3.4Å; T228-L236 VanDerWaalsContact CA-O 3.29Å; T228-L236 WeakPolarHBondContact CA-O 3.41Å; T228-V237 HydrophobicContact CG2-CG2 4.42Å; T228-V317 HydrophobicContact CG2-CG1 3.83Å; T228-I319 HydrophobicContact CG2-CG1 4.17Å; T228-R320 PolarHBondContact OG1-N 3.16Å; T228-R320 VanDerWaalsContact OG1-N 3.16Å; T228-R320 PolarHBondContact OG1-O 2.75Å
229	D	98.6	Very high	97.8	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	175.4	174.3	-163.4	0.7	0	0	0	108.7	L236 T321	D229-L236 HydrophobicContact CB-CB 4.24Å; D229-L236 HydrophobicContact CB-CD1 4.4Å; D229-L236 PolarHBondContact N-O 3.16Å; D229-L236 PolarHBondContact O-N 3.04Å; D229-T321 WeakPolarHBondContact OD1-CG2 3.35Å
230	F	98.3	Very high	98	Very high	31 Å²	31	42.4 Å²	42.4	14%	0.136	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.1	169.2	69.6	-79	0	0	0	111.4	T234 V278 L280 T321 N332 N333	F230-T234 VanDerWaalsContact CA-O 3.29Å; F230-T234 WeakPolarHBondContact CA-O 3.17Å; F230-T234 WeakPolarHBondContact CB-O 3.16Å; F230-V278 HydrophobicContact CB-CG1 4.5Å; F230-L280 HydrophobicContact CB-CD2 4.13Å; F230-L280 HydrophobicContact CD1-CD1 4.25Å; F230-L280 HydrophobicContact CD1-CD2 3.86Å; F230-L280 HydrophobicContact CD2-CD1 4.27Å; F230-L280 HydrophobicContact CD2-CD2 4.49Å; F230-L280 HydrophobicContact CE1-CD1 4.04Å; F230-L280 HydrophobicContact CE1-CD2 4.41Å; F230-L280 HydrophobicContact CE2-CD1 4.06Å; F230-L280 HydrophobicContact CG-CD1 4.37Å; F230-L280 HydrophobicContact CG-CD2 3.91Å; F230-L280 HydrophobicContact CZ-CD1 3.94Å; F230-T321 HydrophobicContact CD1-CG2 3.88Å; F230-T321 HydrophobicContact CE1-CG2 3.91Å; F230-N332 HydrophobicContact CE1-CB 4.12Å; F230-N332 HydrophobicContact CZ-CB 4.17Å; F230-N333 WeakPolarHBondContact CZ-ND2 3.4Å
231	L	96.7	Very high	98	Very high	119 Å²	119	42.1 Å²	42.1	62%	0.623	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127	123.2	170.9	-179.3	66.6	0	0	0	107.9	D233 T234	L231-D233 PolarHBondContact O-N 3.43Å; L231-D233 VanDerWaalsContact O-N 3.15Å; L231-T234 PolarHBondContact N-O 3.03Å; L231-T234 PolarHBondContact O-N 2.88Å
232	D	93.8	Very high	97.9	Very high	139 Å²	139	44.4 Å²	44.4	74%	0.743	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	-113.3	-173.8	-55.5	-44.5	0	0	0	111.7
233	D	95.5	Very high	97.8	Very high	88 Å²	88	46 Å²	46	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5.4	178.3	67.9	-7.3	0	0	0	113.3	L231 N277 V278	L231-D233 PolarHBondContact O-N 3.43Å; L231-D233 VanDerWaalsContact O-N 3.15Å; D233-N277 CarbonylContact O-C 3.51Å; D233-N277 WeakPolarHBondContact O-CA 3.38Å; D233-N277 PolarHBondContact O-N 2.96Å; D233-V278 PolarHBondContact O-N 2.75Å
234	T	98.3	Very high	97.6	Very high	40 Å²	40	47 Å²	47	25%	0.245	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.4	-173.7	-62.8	0	0	0	0	111.1	F230 L231 K274 V275	F230-T234 VanDerWaalsContact CA-O 3.29Å; F230-T234 WeakPolarHBondContact CA-O 3.17Å; F230-T234 WeakPolarHBondContact CB-O 3.16Å; L231-T234 PolarHBondContact N-O 3.03Å; L231-T234 PolarHBondContact O-N 2.88Å; T234-K274 HydrophobicContact CG2-CB 4.33Å; T234-V275 CarbonylContact C-O 3.59Å; T234-V275 WeakPolarHBondContact CA-O 3.21Å
235	G	98.6	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	145.3	173.5	0	0	0	0	0	112.1	K274 V275	G235-K274 CarbonylContact O-C 3.44Å; G235-K274 WeakPolarHBondContact O-CA 3.22Å; G235-V275 PolarHBondContact N-O 3.23Å; G235-V275 PolarHBondContact O-N 3.39Å
236	L	98.7	Very high	96.7	Very high	27 Å²	27	49.9 Å²	49.9	14%	0.141	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.4	176.6	-56.4	178.1	0	0	0	108.7	T228 D229 V272 K274	T228-L236 CarbonylContact C-O 3.4Å; T228-L236 VanDerWaalsContact CA-O 3.29Å; T228-L236 WeakPolarHBondContact CA-O 3.41Å; D229-L236 HydrophobicContact CB-CB 4.24Å; D229-L236 HydrophobicContact CB-CD1 4.4Å; D229-L236 PolarHBondContact N-O 3.16Å; D229-L236 PolarHBondContact O-N 3.04Å; L236-V272 HydrophobicContact CB-CG1 4.28Å; L236-V272 HydrophobicContact CD2-CG1 4.34Å; L236-K274 HydrophobicContact CD2-CG 3.91Å
237	V	98.8	Very high	95.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	98.8	174.5	-176.4	0	0	0	0	107.8	V226 T228 L255 V272 L273 V275 V317 I319	V226-V237 HydrophobicContact CG1-CG1 3.66Å; T228-V237 HydrophobicContact CG2-CG2 4.42Å; V237-L255 HydrophobicContact CG2-CD2 4.03Å; V237-V272 WeakPolarHBondContact O-CA 3.42Å; V237-L273 HydrophobicContact CB-CB 4.24Å; V237-L273 PolarHBondContact N-O 2.86Å; V237-L273 PolarHBondContact O-N 2.82Å; V237-V275 HydrophobicContact CG2-CG2 4.38Å; V237-V317 HydrophobicContact CG1-CG1 4.27Å; V237-I319 HydrophobicContact CG2-CD1 3.51Å; V237-I319 HydrophobicContact CG2-CG1 3.8Å
238	R	98.8	Very high	95.1	Very high	116 Å²	116	57.9 Å²	57.9	44%	0.438	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.1	173.3	-51.2	-174.5	-174	-89.7	-2.5	107.6	V226 V227 G271 V272	V226-R238 WeakPolarHBondContact CA-O 3.29Å; V227-R238 HydrophobicContact CB-CB 4.46Å; V227-R238 PolarHBondContact N-O 3.27Å; V227-R238 WeakPolarHBondContact O-CB 3.31Å; V227-R238 PolarHBondContact O-N 3.4Å; R238-G271 WeakPolarHBondContact CA-O 3.37Å; R238-V272 HydrophobicContact CB-CG2 4.49Å; R238-V272 HydrophobicContact CG-CG1 4.13Å; R238-V272 HydrophobicContact CG-CG2 3.95Å
239	Y	98.6	Very high	94.6	Very high	8 Å²	8	59.3 Å²	59.3	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.8	-176.8	72.8	-88.3	0	0	0	111.3	T225 V241 V253 S266 Q268 S270 G271 L273	T225-Y239 CarbonylContact O-C 3.57Å; T225-Y239 VanDerWaalsContact O-CA 3.28Å; T225-Y239 WeakPolarHBondContact O-CA 3.32Å; Y239-V241 HydrophobicContact CD2-CG2 4.03Å; Y239-V241 HydrophobicContact CE2-CG2 4.4Å; Y239-V253 HydrophobicContact CD2-CG1 4.13Å; Y239-V253 HydrophobicContact CD2-CG2 4.31Å; Y239-V253 HydrophobicContact CE1-CG1 4.34Å; Y239-V253 HydrophobicContact CE2-CB 3.99Å; Y239-V253 HydrophobicContact CE2-CG1 3.96Å; Y239-V253 HydrophobicContact CE2-CG2 3.64Å; Y239-V253 HydrophobicContact CG-CG1 4.41Å; Y239-S266 WeakPolarHBondContact OH-CB 3.15Å; Y239-S266 PolarHBondContact OH-OG 3.19Å; Y239-Q268 WeakPolarHBondContact CE2-O 3.47Å; Y239-Q268 PolarHBondContact OH-O 3.15Å; Y239-S270 WeakPolarHBondContact O-CA 3.29Å; Y239-S270 WeakPolarHBondContact O-CB 3.29Å; Y239-G271 WeakPolarHBondContact CD1-O 3.39Å; Y239-G271 PolarHBondContact N-O 3.13Å; Y239-G271 PolarHBondContact O-N 2.96Å; Y239-L273 HydrophobicContact CD1-CD1 4.19Å; Y239-L273 HydrophobicContact CD1-CD2 4.49Å; Y239-L273 HydrophobicContact CD1-CG 3.87Å; Y239-L273 HydrophobicContact CE1-CD1 4.17Å; Y239-L273 HydrophobicContact CE1-CD2 3.79Å; Y239-L273 HydrophobicContact CE1-CG 3.67Å
240	S	98.3	Very high	94.3	Very high	62 Å²	62	60.9 Å²	60.9	43%	0.434	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.7	168.4	-172.5	0	0	0	0	108.8	I224 T225 A269	I224-S240 WeakPolarHBondContact CA-O 3.4Å; T225-S240 PolarHBondContact N-O 3.41Å; T225-S240 PolarHBondContact O-N 3.22Å; S240-A269 CarbonylContact C-O 3.58Å
241	V	97.7	Very high	94.2	Very high	10 Å²	10	60.2 Å²	60.2	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.6	179.5	-176	0	0	0	0	109.1	V221 D223 I224 Y239 V243 M251 V253 A269 V298	V221-V241 HydrophobicContact CG1-CG1 3.68Å; V221-V241 HydrophobicContact CG2-CG1 4.25Å; D223-V241 WeakPolarHBondContact O-CA 3.37Å; I224-V241 HydrophobicContact CG1-CG1 4.41Å; I224-V241 HydrophobicContact CG1-CG2 4.45Å; Y239-V241 HydrophobicContact CD2-CG2 4.03Å; Y239-V241 HydrophobicContact CE2-CG2 4.4Å; V241-V243 HydrophobicContact CG1-CG2 4.29Å; V241-M251 HydrophobicContact CB-CE 3.91Å; V241-M251 HydrophobicContact CB-SD 4.08Å; V241-M251 HydrophobicContact CG1-CE 4.19Å; V241-M251 HydrophobicContact CG1-SD 3.75Å; V241-M251 HydrophobicContact CG2-CE 4.28Å; V241-M251 HydrophobicContact CG2-SD 4.33Å; V241-V253 HydrophobicContact CG2-CG2 4.28Å; V241-A269 PolarHBondContact N-O 2.98Å; V241-V298 HydrophobicContact CG1-CG1 4.1Å; V241-V298 HydrophobicContact CG2-CG1 4.38Å; V241-V298 HydrophobicContact CG2-CG2 4.1Å
242	S	96.1	Very high	94.2	Very high	50 Å²	50	58.9 Å²	58.9	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.2	169.6	-173	0	0	0	0	110	D222 D223	D222-S242 PolarHBondContact N-O 3.18Å; D223-S242 PolarHBondContact N-O 3.02Å; D223-S242 PolarHBondContact O-N 3.34Å
243	V	95.1	Very high	94.5	Very high	45 Å²	45	52.3 Å²	52.3	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.4	-179.4	173.8	0	0	0	0	109	Y220 V241 T246 L300	Y220-V243 WeakPolarHBondContact O-CA 3.29Å; V241-V243 HydrophobicContact CG1-CG2 4.29Å; V243-T246 HydrophobicContact CG1-CG2 3.89Å; V243-L300 HydrophobicContact CB-CD2 4.48Å; V243-L300 HydrophobicContact CG1-CD1 4.08Å; V243-L300 HydrophobicContact CG1-CD2 3.53Å; V243-L300 HydrophobicContact CG1-CG 4.45Å; V243-L300 HydrophobicContact CG2-CD1 3.84Å; V243-L300 HydrophobicContact CG2-CD2 4.12Å
244	K	94.4	Very high	94.6	Very high	50 Å²	50	48.5 Å²	48.5	22%	0.217	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	162.7	174	-74	-167.6	177.5	-168.3	0	112	D18 A219 Y220 D222 T246	D18-K244 WeakPolarHBondContact O-CE 3.38Å; D18-K244 PolarHBondContact O-NZ 3.47Å; A219-K244 VanDerWaalsContact CA-O 3.31Å; A219-K244 WeakPolarHBondContact CA-O 3.18Å; Y220-K244 HydrophobicContact CE1-CB 3.91Å; Y220-K244 HydrophobicContact CE2-CB 3.89Å; Y220-K244 PolarHBondContact N-O 3.34Å; Y220-K244 PolarHBondContact O-N 3.36Å; D222-K244 HydrophobicContact CB-CB 4.33Å; D222-K244 HydrophobicContact CB-CD 4.18Å; D222-K244 HydrophobicContact CB-CG 3.89Å; D222-K244 WeakPolarHBondContact OD2-CE 3.44Å; K244-T246 VanDerWaalsContact C-N 3.3Å; K244-T246 PolarHBondContact O-N 3.02Å
245	G	90.8	Very high	94.6	Very high	62 Å²	62	46.6 Å²	46.6	64%	0.639	28%	0.282	S	S	*	.	S	Bend	trans	76.2	8	175.4	0	0	0	0	0	116	K218	K218-G245 WeakPolarHBondContact O-CA 3.24Å
246	T	87.9	Confident	94.6	Very high	46 Å²	46	47.9 Å²	47.9	28%	0.282	29%	0.289	S	S	.	.			trans	-153.6	152.7	169.2	-177.4	0	0	0	0	111	A219 V243 K244 S248 A249 A302	A219-T246 HydrophobicContact CB-CG2 3.6Å; V243-T246 HydrophobicContact CG1-CG2 3.89Å; K244-T246 VanDerWaalsContact C-N 3.3Å; K244-T246 PolarHBondContact O-N 3.02Å; T246-S248 PolarHBondContact OG1-N 3.48Å; T246-S248 VanDerWaalsContact OG1-N 3.08Å; T246-S248 PolarHBondContact OG1-O 2.73Å; T246-A249 HydrophobicContact CG2-CB 3.87Å; T246-A302 HydrophobicContact CG2-CB 4.14Å
247	T	79.7	Confident	94.6	Very high	157 Å²	157	48 Å²	48	96%	0.963	29%	0.29	S	S	*	.	S	Bend	trans	-101.8	-11	169.8	55.7	0	0	0	0	112.7
248	S	84	Confident	94.4	Very high	83 Å²	83	55.7 Å²	55.7	58%	0.58	32%	0.323	S	S	*	.			trans	-136	110.7	-178.6	-174.5	0	0	0	0	110	T246	T246-S248 PolarHBondContact OG1-N 3.48Å; T246-S248 VanDerWaalsContact OG1-N 3.08Å; T246-S248 PolarHBondContact OG1-O 2.73Å
249	A	87.9	Confident	94.2	Very high	46 Å²	46	53 Å²	53	38%	0.38	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151	173.9	0	0	0	0	0	110.3	T246 L300 K301 A302	T246-A249 HydrophobicContact CG2-CB 3.87Å; A249-L300 HydrophobicContact CB-CD1 3.44Å; A249-L300 VanDerWaalsContact CB-CD1 3.44Å; A249-L300 HydrophobicContact CB-CG 4.17Å; A249-K301 WeakPolarHBondContact CA-O 3.28Å; A249-A302 HydrophobicContact CB-CB 4.19Å
250	T	93.1	Very high	94	Very high	99 Å²	99	55.2 Å²	55.2	61%	0.607	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.9	165.6	59.4	0	0	0	0	108.4	K301	T250-K301 PolarHBondContact N-O 3.3Å; T250-K301 PolarHBondContact O-N 2.94Å; T250-K301 PolarHBondContact OG1-O 3.49Å
251	M	94.9	Very high	93.9	Very high	18 Å²	18	58 Å²	58	9%	0.089	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.2	-179.5	-173	161	55.4	0	0	110.5	V241 V253 N267 A269 V298 R299 L300	V241-M251 HydrophobicContact CB-CE 3.91Å; V241-M251 HydrophobicContact CB-SD 4.08Å; V241-M251 HydrophobicContact CG1-CE 4.19Å; V241-M251 HydrophobicContact CG1-SD 3.75Å; V241-M251 HydrophobicContact CG2-CE 4.28Å; V241-M251 HydrophobicContact CG2-SD 4.33Å; M251-V253 HydrophobicContact CE-CG2 4.4Å; M251-V253 HydrophobicContact CG-CG2 4.18Å; M251-V253 HydrophobicContact SD-CG2 4.38Å; M251-N267 CarbonylContact O-C 3.19Å; M251-N267 WeakPolarHBondContact O-CA 3.44Å; M251-A269 HydrophobicContact CE-CB 3.4Å; M251-V298 HydrophobicContact CG-CG1 3.92Å; M251-V298 HydrophobicContact SD-CG1 3.41Å; M251-V298 WeakPolarHBondContact SD-CG1 3.45Å; M251-R299 CarbonylContact C-O 3.29Å; M251-R299 VanDerWaalsContact CA-O 3.28Å; M251-R299 WeakPolarHBondContact CA-O 3.4Å; M251-L300 HydrophobicContact CB-CD1 4.31Å; M251-L300 HydrophobicContact SD-CD1 4.36Å
252	K	97.8	Very high	93.9	Very high	91 Å²	91	61.3 Å²	61.3	40%	0.396	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.5	169	-174.4	178.6	179	-176.3	0	108.9	S266 R299	K252-S266 CarbonylContact C-O 3.57Å; K252-S266 WeakPolarHBondContact CA-O 3.33Å; K252-R299 PolarHBondContact N-O 3.13Å; K252-R299 PolarHBondContact O-N 3.08Å
253	V	98.6	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.7	175.1	-177.1	0	0	0	0	107.7	Y239 V241 M251 S265 S266 L273 L296 E297 V298	Y239-V253 HydrophobicContact CD2-CG1 4.13Å; Y239-V253 HydrophobicContact CD2-CG2 4.31Å; Y239-V253 HydrophobicContact CE1-CG1 4.34Å; Y239-V253 HydrophobicContact CE2-CB 3.99Å; Y239-V253 HydrophobicContact CE2-CG1 3.96Å; Y239-V253 HydrophobicContact CE2-CG2 3.64Å; Y239-V253 HydrophobicContact CG-CG1 4.41Å; V241-V253 HydrophobicContact CG2-CG2 4.28Å; M251-V253 HydrophobicContact CE-CG2 4.4Å; M251-V253 HydrophobicContact CG-CG2 4.18Å; M251-V253 HydrophobicContact SD-CG2 4.38Å; V253-S265 CarbonylContact O-C 3.53Å; V253-S265 WeakPolarHBondContact O-CA 3.31Å; V253-S266 PolarHBondContact N-O 3.03Å; V253-S266 PolarHBondContact O-N 3Å; V253-L273 HydrophobicContact CG1-CD1 4.37Å; V253-L296 HydrophobicContact CG1-CD1 3.52Å; V253-L296 HydrophobicContact CG1-CD2 4.38Å; V253-L296 HydrophobicContact CG1-CG 3.93Å; V253-E297 CarbonylContact C-O 3.58Å; V253-E297 WeakPolarHBondContact CA-O 3.3Å; V253-V298 HydrophobicContact CG1-CG2 4.38Å; V253-V298 HydrophobicContact CG2-CG1 4.38Å; V253-V298 HydrophobicContact CG2-CG2 4.29Å
254	T	98.7	Very high	94.1	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.049	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.1	-175	-52	0	0	0	0	109.5	I256 C262 L296 E297	T254-I256 HydrophobicContact CG2-CG1 3.96Å; T254-C262 HydrophobicContact CG2-CB 4.13Å; T254-C262 VanDerWaalsContact CG2-SG 3.51Å; T254-L296 CarbonylContact O-C 3.16Å; T254-L296 WeakPolarHBondContact O-CA 3.38Å; T254-E297 PolarHBondContact N-O 2.81Å; T254-E297 PolarHBondContact O-N 3.06Å
255	L	98.8	Very high	94.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.3	170.6	-165.9	76	0	0	0	109.6	V237 I263 V264 L273 V275 Y294 L295 L296	V237-L255 HydrophobicContact CG2-CD2 4.03Å; L255-I263 PolarHBondContact O-N 2.74Å; L255-V264 HydrophobicContact CB-CG1 4.01Å; L255-V264 PolarHBondContact N-O 2.73Å; L255-L273 HydrophobicContact CB-CD1 3.92Å; L255-V275 HydrophobicContact CD2-CG2 3.34Å; L255-Y294 HydrophobicContact CD1-CG 4.42Å; L255-Y294 HydrophobicContact CD2-CD1 4.09Å; L255-Y294 HydrophobicContact CD2-CG 4.24Å; L255-Y294 HydrophobicContact CG-CD1 4.15Å; L255-Y294 HydrophobicContact CG-CG 4.28Å; L255-L295 WeakPolarHBondContact CA-O 3.36Å; L255-L296 HydrophobicContact CB-CD1 4.47Å; L255-L296 HydrophobicContact CD1-CB 4.21Å; L255-L296 HydrophobicContact CD1-CD1 3.9Å
256	I	98.7	Very high	94.6	Very high	28 Å²	28	60 Å²	60	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.5	-174.5	-52.4	171.8	0	0	0	108.5	T254 G260 H261 Y294 L295 E297	T254-I256 HydrophobicContact CG2-CG1 3.96Å; I256-G260 VanDerWaalsContact CG2-C 3.43Å; I256-H261 WeakPolarHBondContact CA-O 3.41Å; I256-Y294 CarbonylContact O-C 3.53Å; I256-Y294 WeakPolarHBondContact O-CA 3.12Å; I256-Y294 WeakPolarHBondContact O-CB 3.23Å; I256-L295 HydrophobicContact CB-CB 4.26Å; I256-L295 PolarHBondContact N-O 3.24Å; I256-L295 PolarHBondContact O-N 2.86Å; I256-E297 HydrophobicContact CD1-CB 4.02Å
257	D	97.7	Very high	95	Very high	28 Å²	28	63.7 Å²	63.7	15%	0.15	39%	0.386	C	S	.	.			trans	-78.2	176.7	176	75.1	12.6	0	0	0	112.9	G259 G260 H261 I263 Y294	D257-G259 PolarHBondContact O-N 3.12Å; D257-G259 VanDerWaalsContact OD1-C 3.32Å; D257-G259 VanDerWaalsContact OD1-CA 3.26Å; D257-G259 WeakPolarHBondContact OD1-CA 3.31Å; D257-G259 PolarHBondContact OD1-N 2.89Å; D257-G260 PolarHBondContact O-N 2.65Å; D257-G260 PolarHBondContact OD1-N 2.83Å; D257-H261 PolarHBondContact N-O 3.06Å; D257-H261 IonicContact OD1-CG 3.85Å; D257-H261 PolarHBondContact OD1-N 3.3Å; D257-H261 IonicContact OD1-ND1 3.43Å; D257-H261 PolarHBondContact OD1-ND1 2.88Å; D257-H261 IonicContact OD2-CG 3.82Å; D257-H261 IonicContact OD2-ND1 3.26Å; D257-H261 PolarHBondContact OD2-ND1 3.3Å; D257-I263 HydrophobicContact CB-CD1 4.02Å; D257-I263 HydrophobicContact CB-CG1 4.04Å; D257-Y294 HydrophobicContact CB-CD1 4.22Å; D257-Y294 HydrophobicContact CB-CE1 4.08Å
258	K	94	Very high	95.7	Very high	163 Å²	163	62.5 Å²	62.5	71%	0.709	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.4	179.1	-170.2	175.4	179.4	179.8	0	113.4	G260 Y292	K258-G260 VanDerWaalsContact C-N 3.32Å; K258-Y292 HydrophobicContact CB-CE2 4.13Å; K258-Y292 HydrophobicContact CD-CE2 4.44Å; K258-Y292 PolarHBondContact N-OH 3.15Å
259	G	94.6	Very high	96.2	Very high	59 Å²	59	60.9 Å²	60.9	61%	0.608	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.6	175.3	0	0	0	0	0	113.7	D257	D257-G259 PolarHBondContact O-N 3.12Å; D257-G259 VanDerWaalsContact OD1-C 3.32Å; D257-G259 VanDerWaalsContact OD1-CA 3.26Å; D257-G259 WeakPolarHBondContact OD1-CA 3.31Å; D257-G259 PolarHBondContact OD1-N 2.89Å
260	G	95.3	Very high	96.7	Very high	55 Å²	55	62 Å²	62	57%	0.567	37%	0.366	S	S	*	.	S	Bend	trans	87.4	10.6	-177.2	0	0	0	0	0	114.2	I256 D257 K258	I256-G260 VanDerWaalsContact CG2-C 3.43Å; D257-G260 PolarHBondContact O-N 2.65Å; D257-G260 PolarHBondContact OD1-N 2.83Å; K258-G260 VanDerWaalsContact C-N 3.32Å
261	H	96.8	Very high	96.9	Very high	120 Å²	120	58.3 Å²	58.3	56%	0.556	35%	0.348	S	S	*	.			trans	-86.4	133.9	179.2	-50.7	107.3	0	0	0	111.6	I256 D257 I263	I256-H261 WeakPolarHBondContact CA-O 3.41Å; D257-H261 PolarHBondContact N-O 3.06Å; D257-H261 IonicContact OD1-CG 3.85Å; D257-H261 PolarHBondContact OD1-N 3.3Å; D257-H261 IonicContact OD1-ND1 3.43Å; D257-H261 PolarHBondContact OD1-ND1 2.88Å; D257-H261 IonicContact OD2-CG 3.82Å; D257-H261 IonicContact OD2-ND1 3.26Å; D257-H261 PolarHBondContact OD2-ND1 3.3Å; H261-I263 PolarHBondContact O-N 3.29Å
262	C	97.3	Very high	97	Very high	79 Å²	79	60.5 Å²	60.5	53%	0.534	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	112.9	170.4	170.3	0	0	0	0	109.8	T254	T254-C262 HydrophobicContact CG2-CB 4.13Å; T254-C262 VanDerWaalsContact CG2-SG 3.51Å
263	I	97.3	Very high	97.1	Very high	64 Å²	64	56.4 Å²	56.4	33%	0.328	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-47.6	178.3	-58.7	-57	0	0	0	110.8	L255 D257 H261 V275 Y294	L255-I263 PolarHBondContact O-N 2.74Å; D257-I263 HydrophobicContact CB-CD1 4.02Å; D257-I263 HydrophobicContact CB-CG1 4.04Å; H261-I263 PolarHBondContact O-N 3.29Å; I263-V275 HydrophobicContact CG2-CG1 4.23Å; I263-Y294 HydrophobicContact CG1-CE1 4.37Å
264	V	97.4	Very high	97.1	Very high	37 Å²	37	63.1 Å²	63.1	22%	0.224	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	148.3	-175.3	59.4	0	0	0	0	110	L255 L273	L255-V264 HydrophobicContact CB-CG1 4.01Å; L255-V264 PolarHBondContact N-O 2.73Å; V264-L273 HydrophobicContact CG1-CB 3.69Å; V264-L273 HydrophobicContact CG1-CD1 4.28Å; V264-L273 HydrophobicContact CG1-CD2 4.32Å; V264-L273 HydrophobicContact CG1-CG 4.3Å; V264-L273 HydrophobicContact CG2-CD2 4.18Å
265	S	97.7	Very high	97.1	Very high	57 Å²	57	62.8 Å²	62.8	40%	0.399	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.6	176.3	66.1	0	0	0	0	112.4	V253	V253-S265 CarbonylContact O-C 3.53Å; V253-S265 WeakPolarHBondContact O-CA 3.31Å
266	S	97.6	Very high	97	Very high	23 Å²	23	66.6 Å²	66.6	16%	0.161	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.7	174.8	173.9	0	0	0	0	110.2	Y239 K252 V253 Q268	Y239-S266 WeakPolarHBondContact OH-CB 3.15Å; Y239-S266 PolarHBondContact OH-OG 3.19Å; K252-S266 CarbonylContact C-O 3.57Å; K252-S266 WeakPolarHBondContact CA-O 3.33Å; V253-S266 PolarHBondContact N-O 3.03Å; V253-S266 PolarHBondContact O-N 3Å; S266-Q268 PolarHBondContact OG-N 3.08Å
267	N	97.2	Very high	96.8	Very high	123 Å²	123	71 Å²	71	66%	0.658	42%	0.42	S	S	*	.	S	Bend	trans	-102.3	10.7	175.1	-62.3	-33.9	0	0	0	113	M251	M251-N267 CarbonylContact O-C 3.19Å; M251-N267 WeakPolarHBondContact O-CA 3.44Å
268	Q	95.3	Very high	96.9	Very high	131 Å²	131	70.7 Å²	70.7	61%	0.612	42%	0.419	S	S	*	.	S	Bend	trans	-102.5	151.9	-177.3	-62.2	-175.1	-49.8	0	0	111.6	Y239 S266 S270	Y239-Q268 WeakPolarHBondContact CE2-O 3.47Å; Y239-Q268 PolarHBondContact OH-O 3.15Å; S266-Q268 PolarHBondContact OG-N 3.08Å; Q268-S270 VanDerWaalsContact C-N 3.32Å; Q268-S270 VanDerWaalsContact CB-O 3.31Å; Q268-S270 WeakPolarHBondContact CB-O 3.35Å
269	A	93.9	Very high	97.1	Very high	49 Å²	49	66.6 Å²	66.6	41%	0.405	41%	0.405	S	S	.	.	S	Bend	trans	-73.7	-22.2	178.5	0	0	0	0	0	115.4	S240 V241 M251	S240-A269 CarbonylContact C-O 3.58Å; V241-A269 PolarHBondContact N-O 2.98Å; M251-A269 HydrophobicContact CE-CB 3.4Å
270	S	97.4	Very high	97.3	Very high	70 Å²	70	64.8 Å²	64.8	49%	0.49	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.8	167.6	58.6	0	0	0	0	109.3	Y239 Q268	Y239-S270 WeakPolarHBondContact O-CA 3.29Å; Y239-S270 WeakPolarHBondContact O-CB 3.29Å; Q268-S270 VanDerWaalsContact C-N 3.32Å; Q268-S270 VanDerWaalsContact CB-O 3.31Å; Q268-S270 WeakPolarHBondContact CB-O 3.35Å
271	G	97.5	Very high	97.4	Very high	22 Å²	22	62.1 Å²	62.1	23%	0.227	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-171.9	-178.8	0	0	0	0	0	113	R238 Y239	R238-G271 WeakPolarHBondContact CA-O 3.37Å; Y239-G271 WeakPolarHBondContact CD1-O 3.39Å; Y239-G271 PolarHBondContact N-O 3.13Å; Y239-G271 PolarHBondContact O-N 2.96Å
272	V	98.5	Very high	97.5	Very high	64 Å²	64	58.1 Å²	58.1	39%	0.388	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.5	176.9	-171.6	0	0	0	0	108.6	L236 V237 R238	L236-V272 HydrophobicContact CB-CG1 4.28Å; L236-V272 HydrophobicContact CD2-CG1 4.34Å; V237-V272 WeakPolarHBondContact O-CA 3.42Å; R238-V272 HydrophobicContact CB-CG2 4.49Å; R238-V272 HydrophobicContact CG-CG1 4.13Å; R238-V272 HydrophobicContact CG-CG2 3.95Å
273	L	98.6	Very high	97.6	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.4	172.2	-56	-178.5	0	0	0	108.7	V237 Y239 V253 L255 V264 L296	V237-L273 HydrophobicContact CB-CB 4.24Å; V237-L273 PolarHBondContact N-O 2.86Å; V237-L273 PolarHBondContact O-N 2.82Å; Y239-L273 HydrophobicContact CD1-CD1 4.19Å; Y239-L273 HydrophobicContact CD1-CD2 4.49Å; Y239-L273 HydrophobicContact CD1-CG 3.87Å; Y239-L273 HydrophobicContact CE1-CD1 4.17Å; Y239-L273 HydrophobicContact CE1-CD2 3.79Å; Y239-L273 HydrophobicContact CE1-CG 3.67Å; V253-L273 HydrophobicContact CG1-CD1 4.37Å; L255-L273 HydrophobicContact CB-CD1 3.92Å; V264-L273 HydrophobicContact CG1-CB 3.69Å; V264-L273 HydrophobicContact CG1-CD1 4.28Å; V264-L273 HydrophobicContact CG1-CD2 4.32Å; V264-L273 HydrophobicContact CG1-CG 4.3Å; V264-L273 HydrophobicContact CG2-CD2 4.18Å; L273-L296 HydrophobicContact CD1-CD1 3.73Å
274	K	98.3	Very high	97.7	Very high	142 Å²	142	53.9 Å²	53.9	62%	0.617	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.9	177.3	-62.2	-174.7	179.4	-178	0	109.7	T234 G235 L236	T234-K274 HydrophobicContact CG2-CB 4.33Å; G235-K274 CarbonylContact O-C 3.44Å; G235-K274 WeakPolarHBondContact O-CA 3.22Å; L236-K274 HydrophobicContact CD2-CG 3.91Å
275	V	98.3	Very high	97.7	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	96.9	-174.5	-178.2	0	0	0	0	108.4	T234 G235 V237 L255 I263 V278 Y294 I319	T234-V275 CarbonylContact C-O 3.59Å; T234-V275 WeakPolarHBondContact CA-O 3.21Å; G235-V275 PolarHBondContact N-O 3.23Å; G235-V275 PolarHBondContact O-N 3.39Å; V237-V275 HydrophobicContact CG2-CG2 4.38Å; L255-V275 HydrophobicContact CD2-CG2 3.34Å; I263-V275 HydrophobicContact CG2-CG1 4.23Å; V275-V278 HydrophobicContact CB-CB 4.46Å; V275-V278 HydrophobicContact CB-CG2 4.41Å; V275-V278 HydrophobicContact CG1-CB 4.13Å; V275-V278 HydrophobicContact CG1-CG2 4.05Å; V275-Y294 HydrophobicContact CG1-CE1 4.14Å; V275-I319 HydrophobicContact CB-CD1 4.32Å; V275-I319 HydrophobicContact CG1-CD1 4.49Å; V275-I319 HydrophobicContact CG2-CD1 3.98Å
276	P	96.8	Very high	97.7	Very high	80 Å²	80	56.7 Å²	56.7	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	146.8	176.4	29.7	-34	0	0	0	110.3	V278	P276-V278 PolarHBondContact O-N 3.19Å
277	N	96.3	Very high	97.7	Very high	119 Å²	119	59.3 Å²	59.3	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	53.5	-176.5	-54	-69.8	0	0	0	111.9	D233 N279	D233-N277 CarbonylContact O-C 3.51Å; D233-N277 WeakPolarHBondContact O-CA 3.38Å; D233-N277 PolarHBondContact O-N 2.96Å; N277-N279 PolarHBondContact O-N 2.66Å
278	V	97.9	Very high	97.7	Very high	22 Å²	22	61.1 Å²	61.1	13%	0.133	33%	0.325	C	S	.	.			trans	-63.5	136	-172.6	65.8	0	0	0	0	112.3	F230 D233 V275 P276 L280 Y294 I319	F230-V278 HydrophobicContact CB-CG1 4.5Å; D233-V278 PolarHBondContact O-N 2.75Å; V275-V278 HydrophobicContact CB-CB 4.46Å; V275-V278 HydrophobicContact CB-CG2 4.41Å; V275-V278 HydrophobicContact CG1-CB 4.13Å; V275-V278 HydrophobicContact CG1-CG2 4.05Å; P276-V278 PolarHBondContact O-N 3.19Å; V278-L280 HydrophobicContact CG1-CD2 3.71Å; V278-L280 HydrophobicContact CG1-CG 4.12Å; V278-L280 HydrophobicContact CG2-CD2 4.08Å; V278-Y294 HydrophobicContact CG2-CE2 4.33Å; V278-I319 HydrophobicContact CG2-CB 4.07Å; V278-I319 HydrophobicContact CG2-CD1 3.59Å; V278-I319 HydrophobicContact CG2-CG1 4.4Å; V278-I319 HydrophobicContact CG2-CG2 3.99Å
279	N	98.2	Very high	97.7	Very high	77 Å²	77	59 Å²	59	41%	0.412	32%	0.318	S	S	.	.			trans	-89.8	101.1	164.3	-69	-76.5	0	0	0	108.3	N277 Y292 Y294	N277-N279 PolarHBondContact O-N 2.66Å; N279-Y292 HydrophobicContact CB-CD1 3.63Å; N279-Y292 HydrophobicContact CB-CD2 3.69Å; N279-Y292 HydrophobicContact CB-CE1 3.62Å; N279-Y292 HydrophobicContact CB-CE2 3.65Å; N279-Y292 HydrophobicContact CB-CG 3.68Å; N279-Y292 WeakPolarHBondContact O-CD1 3.33Å; N279-Y294 PolarHBondContact N-OH 3.34Å; N279-Y294 WeakPolarHBondContact O-CE2 3.46Å
280	L	98.7	Very high	97.9	Very high	21 Å²	21	58.6 Å²	58.6	11%	0.11	31%	0.311	C	S	.	.			trans	-67.4	148.4	178.5	-60.7	176.7	0	0	0	110.9	F230 V278 W282 I319 N332	F230-L280 HydrophobicContact CB-CD2 4.13Å; F230-L280 HydrophobicContact CD1-CD1 4.25Å; F230-L280 HydrophobicContact CD1-CD2 3.86Å; F230-L280 HydrophobicContact CD2-CD1 4.27Å; F230-L280 HydrophobicContact CD2-CD2 4.49Å; F230-L280 HydrophobicContact CE1-CD1 4.04Å; F230-L280 HydrophobicContact CE1-CD2 4.41Å; F230-L280 HydrophobicContact CE2-CD1 4.06Å; F230-L280 HydrophobicContact CG-CD1 4.37Å; F230-L280 HydrophobicContact CG-CD2 3.91Å; F230-L280 HydrophobicContact CZ-CD1 3.94Å; V278-L280 HydrophobicContact CG1-CD2 3.71Å; V278-L280 HydrophobicContact CG1-CG 4.12Å; V278-L280 HydrophobicContact CG2-CD2 4.08Å; L280-W282 HydrophobicContact CD1-CZ2 4.16Å; L280-W282 PolarHBondContact O-N 3.41Å; L280-I319 CarbonylContact C-O 3.54Å; L280-I319 VanDerWaalsContact CA-O 3.3Å; L280-I319 WeakPolarHBondContact CA-O 3.37Å; L280-I319 HydrophobicContact CD2-CB 4.35Å; L280-I319 HydrophobicContact CD2-CG2 3.79Å; L280-I319 WeakPolarHBondContact CD2-O 3.31Å; L280-N332 HydrophobicContact CD1-CB 4.02Å
281	W	98.8	Very high	97.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.			trans	-72.1	121.9	165.3	-176.6	99	0	0	0	108.3	P283 I319 R320 N332 D390 V395 P434	W281-P283 HydrophobicContact CH2-CG 4.3Å; W281-P283 HydrophobicContact CZ3-CG 3.8Å; W281-I319 PolarHBondContact N-O 3.02Å; W281-R320 HydrophobicContact CB-CB 4.23Å; W281-R320 HydrophobicContact CB-CG 4.4Å; W281-R320 HydrophobicContact CE3-CB 4.34Å; W281-R320 HydrophobicContact CE3-CG 4.07Å; W281-N332 PolarHBondContact O-ND2 2.92Å; W281-D390 PolarHBondContact NE1-O 3.3Å; W281-V395 HydrophobicContact CH2-CG2 3.86Å; W281-V395 HydrophobicContact CZ3-CG2 4.22Å; W281-P434 HydrophobicContact CB-CB 4.49Å; W281-P434 HydrophobicContact CD2-CB 3.98Å; W281-P434 HydrophobicContact CG-CB 3.94Å; W281-P434 HydrophobicContact CG-CG 4.31Å
282	W	98.8	Very high	98	Very high	35 Å²	35	56.1 Å²	56.1	13%	0.133	29%	0.287	C	S	.	.			trans	-116.4	141.8	176.4	-74.2	103.8	0	0	0	110.4	L280 M286 H287 P290 G291 N332 K334	L280-W282 HydrophobicContact CD1-CZ2 4.16Å; L280-W282 PolarHBondContact O-N 3.41Å; W282-M286 HydrophobicContact CE3-CB 4.01Å; W282-M286 HydrophobicContact CE3-CE 4.4Å; W282-M286 HydrophobicContact CE3-SD 4.25Å; W282-M286 HydrophobicContact CZ3-CE 4.07Å; W282-M286 HydrophobicContact CZ3-SD 4.45Å; W282-H287 HydrophobicContact CB-CB 3.39Å; W282-H287 AromaticContact CD1-CD2 3.72Å; W282-H287 AromaticContact CD1-CG 3.47Å; W282-H287 VanDerWaalsContact CD1-CG 3.47Å; W282-H287 AromaticContact CD1-ND1 3.85Å; W282-H287 HydrophobicContact CD2-CB 4.24Å; W282-H287 HydrophobicContact CG-CB 3.47Å; W282-H287 VanDerWaalsContact CG-CB 3.47Å; W282-H287 AromaticContact CG-CG 3.85Å; W282-H287 AromaticContact NE1-CD2 3.79Å; W282-P290 CarbonylContact O-C 3.56Å; W282-P290 VanDerWaalsContact O-CA 3.29Å; W282-P290 WeakPolarHBondContact O-CA 3.04Å; W282-P290 WeakPolarHBondContact O-CB 3.35Å; W282-G291 PolarHBondContact O-N 3.11Å; W282-N332 HydrophobicContact CE3-CB 4.36Å; W282-N332 HydrophobicContact CH2-CB 3.34Å; W282-N332 HydrophobicContact CZ2-CB 3.79Å; W282-N332 HydrophobicContact CZ3-CB 3.67Å; W282-K334 HydrophobicContact CH2-CB 4.32Å; W282-K334 HydrophobicContact CH2-CG 3.73Å; W282-K334 HydrophobicContact CZ3-CB 4.2Å; W282-K334 HydrophobicContact CZ3-CG 4.09Å
283	P	98.8	Very high	98	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.			trans	-57	152.9	167.3	-24.8	34.2	0	0	0	112.3	W281 L285 M286 I331 F336 G393 V395	W281-P283 HydrophobicContact CH2-CG 4.3Å; W281-P283 HydrophobicContact CZ3-CG 3.8Å; P283-L285 PolarHBondContact O-N 2.82Å; P283-M286 HydrophobicContact CB-CB 4.49Å; P283-M286 HydrophobicContact CB-CG 4.13Å; P283-M286 HydrophobicContact CB-SD 4.15Å; P283-M286 HydrophobicContact CG-CG 4.36Å; P283-M286 HydrophobicContact CG-SD 3.74Å; P283-M286 WeakPolarHBondContact O-CB 3.23Å; P283-M286 PolarHBondContact O-N 2.82Å; P283-M286 VanDerWaalsContact O-N 3.08Å; P283-I331 HydrophobicContact CG-CD1 3.61Å; P283-I331 HydrophobicContact CG-CG2 4.19Å; P283-F336 HydrophobicContact CB-CE2 3.84Å; P283-F336 HydrophobicContact CG-CD2 4.2Å; P283-F336 HydrophobicContact CG-CE2 3.89Å; P283-G393 CarbonylContact C-O 3.57Å; P283-G393 WeakPolarHBondContact CA-O 3.4Å; P283-V395 HydrophobicContact CB-CG2 3.8Å; P283-V395 HydrophobicContact CG-CG2 3.66Å
284	Y	98.6	Very high	98	Very high	55 Å²	55	54.3 Å²	54.3	22%	0.216	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	138.7	166.1	178.9	-126.3	0	0	0	109.2	M286 P290 K367 G393 I394	Y284-M286 PolarHBondContact O-N 3.09Å; Y284-P290 HydrophobicContact CD2-CG 4.37Å; Y284-K367 HydrophobicContact CD1-CG 4.43Å; Y284-K367 HydrophobicContact CE1-CB 4.36Å; Y284-K367 HydrophobicContact CE1-CG 4.12Å; Y284-K367 PolarHBondContact OH-O 3.17Å; Y284-G393 PolarHBondContact N-O 3.3Å; Y284-I394 HydrophobicContact CD1-CD1 4.11Å; Y284-I394 HydrophobicContact CG-CD1 4.36Å
285	L	98.4	Very high	98.1	Very high	92 Å²	92	50.9 Å²	50.9	48%	0.482	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	-3.5	-175.5	-50.3	171.4	0	0	0	116.4	P283 H339 G370 N372	P283-L285 PolarHBondContact O-N 2.82Å; L285-H339 VanDerWaalsContact CD1-CE1 3.48Å; L285-H339 WeakPolarHBondContact CD1-CE1 3.42Å; L285-G370 VanDerWaalsContact CD1-O 3.3Å; L285-G370 WeakPolarHBondContact CD1-O 3.39Å; L285-N372 HydrophobicContact CD1-CB 4.49Å
286	M	98.4	Very high	98.1	Very high	61 Å²	61	50.9 Å²	50.9	30%	0.3	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-14.3	174.5	-69	-163.4	86.2	0	0	114.9	W282 P283 Y284 K334 F336	W282-M286 HydrophobicContact CE3-CB 4.01Å; W282-M286 HydrophobicContact CE3-CE 4.4Å; W282-M286 HydrophobicContact CE3-SD 4.25Å; W282-M286 HydrophobicContact CZ3-CE 4.07Å; W282-M286 HydrophobicContact CZ3-SD 4.45Å; P283-M286 HydrophobicContact CB-CB 4.49Å; P283-M286 HydrophobicContact CB-CG 4.13Å; P283-M286 HydrophobicContact CB-SD 4.15Å; P283-M286 HydrophobicContact CG-CG 4.36Å; P283-M286 HydrophobicContact CG-SD 3.74Å; P283-M286 WeakPolarHBondContact O-CB 3.23Å; P283-M286 PolarHBondContact O-N 2.82Å; P283-M286 VanDerWaalsContact O-N 3.08Å; Y284-M286 PolarHBondContact O-N 3.09Å; M286-K334 HydrophobicContact CE-CB 3.98Å; M286-F336 HydrophobicContact CG-CD2 4.45Å; M286-F336 HydrophobicContact SD-CD2 3.51Å; M286-F336 VanDerWaalsContact SD-CD2 3.51Å; M286-F336 HydrophobicContact SD-CE2 4.15Å
287	H	98	Very high	98.2	Very high	78 Å²	78	48.6 Å²	48.6	36%	0.361	25%	0.245	S	C	.	.	S	Bend	trans	-154.2	156.5	-176.4	-164.9	-106.5	0	0	0	111	W282 N289 P290	W282-H287 HydrophobicContact CB-CB 3.39Å; W282-H287 AromaticContact CD1-CD2 3.72Å; W282-H287 AromaticContact CD1-CG 3.47Å; W282-H287 VanDerWaalsContact CD1-CG 3.47Å; W282-H287 AromaticContact CD1-ND1 3.85Å; W282-H287 HydrophobicContact CD2-CB 4.24Å; W282-H287 HydrophobicContact CG-CB 3.47Å; W282-H287 VanDerWaalsContact CG-CB 3.47Å; W282-H287 AromaticContact CG-CG 3.85Å; W282-H287 AromaticContact NE1-CD2 3.79Å; H287-N289 PolarHBondContact ND1-N 2.69Å; H287-N289 VanDerWaalsContact ND1-N 3.12Å; H287-N289 PolarHBondContact ND1-O 2.96Å; H287-N289 PolarHBondContact O-N 3.28Å; H287-P290 WeakPolarHBondContact O-CD 3.39Å
288	E	96.8	Very high	98.3	Very high	161 Å²	161	42.9 Å²	42.9	75%	0.752	22%	0.215	S	C	*	.	S	Bend	trans	-64.3	-28.3	175.8	50.4	168.7	-150.3	0	0	113	P290	E288-P290 VanDerWaalsContact C-CD 3.48Å; E288-P290 WeakPolarHBondContact O-CD 3.28Å
289	N	95.3	Very high	98.3	Very high	86 Å²	86	45.5 Å²	45.5	46%	0.46	22%	0.222	S	C	.	.	S	Bend	trans	-121.8	70.8	179.7	-66.7	-59.8	0	0	0	109.9	H287	H287-N289 PolarHBondContact ND1-N 2.69Å; H287-N289 VanDerWaalsContact ND1-N 3.12Å; H287-N289 PolarHBondContact ND1-O 2.96Å; H287-N289 PolarHBondContact O-N 3.28Å
290	P	97.8	Very high	98.2	Very high	40 Å²	40	42 Å²	42	26%	0.26	20%	0.203	S	C	.	.			trans	-71.8	158.1	179.3	32.8	-35.3	0	0	0	110.8	W282 Y284 H287 E288 Y292	W282-P290 CarbonylContact O-C 3.56Å; W282-P290 VanDerWaalsContact O-CA 3.29Å; W282-P290 WeakPolarHBondContact O-CA 3.04Å; W282-P290 WeakPolarHBondContact O-CB 3.35Å; Y284-P290 HydrophobicContact CD2-CG 4.37Å; H287-P290 WeakPolarHBondContact O-CD 3.39Å; E288-P290 VanDerWaalsContact C-CD 3.48Å; E288-P290 WeakPolarHBondContact O-CD 3.28Å; P290-Y292 VanDerWaalsContact C-N 3.34Å; P290-Y292 PolarHBondContact O-N 2.78Å
291	G	98.3	Very high	98.1	Very high	9 Å²	9	46 Å²	46	9%	0.093	22%	0.22	C	C	.	.	S	Bend	trans	68	29.5	175.8	0	0	0	0	0	114.5	W282 L293 D390	W282-G291 PolarHBondContact O-N 3.11Å; G291-L293 PolarHBondContact O-N 3.11Å; G291-D390 WeakPolarHBondContact CA-O 3.46Å
292	Y	98.7	Very high	97.7	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.122	22%	0.222	C	C	.	.			trans	-65.1	123.8	178.2	-168.7	-77.2	0	0	0	110.6	K258 N279 P290 Y294	K258-Y292 HydrophobicContact CB-CE2 4.13Å; K258-Y292 HydrophobicContact CD-CE2 4.44Å; K258-Y292 PolarHBondContact N-OH 3.15Å; N279-Y292 HydrophobicContact CB-CD1 3.63Å; N279-Y292 HydrophobicContact CB-CD2 3.69Å; N279-Y292 HydrophobicContact CB-CE1 3.62Å; N279-Y292 HydrophobicContact CB-CE2 3.65Å; N279-Y292 HydrophobicContact CB-CG 3.68Å; N279-Y292 WeakPolarHBondContact O-CD1 3.33Å; P290-Y292 VanDerWaalsContact C-N 3.34Å; P290-Y292 PolarHBondContact O-N 2.78Å; Y292-Y294 HydrophobicContact CD1-CD2 4Å; Y292-Y294 AromaticContact CD1-CE2 3.78Å; Y292-Y294 HydrophobicContact CD1-CE2 3.78Å; Y292-Y294 HydrophobicContact CE1-CD1 4.24Å; Y292-Y294 AromaticContact CE1-CD2 3.69Å; Y292-Y294 HydrophobicContact CE1-CD2 3.69Å; Y292-Y294 AromaticContact CE1-CE1 3.99Å; Y292-Y294 HydrophobicContact CE1-CE1 3.99Å; Y292-Y294 AromaticContact CE1-CE2 3.41Å; Y292-Y294 HydrophobicContact CE1-CE2 3.41Å; Y292-Y294 VanDerWaalsContact CE1-CE2 3.41Å; Y292-Y294 HydrophobicContact CE1-CG 4.1Å; Y292-Y294 AromaticContact CE1-CZ 3.57Å
293	L	98.8	Very high	96.9	Very high	27 Å²	27	48.8 Å²	48.8	14%	0.141	25%	0.245	C	C	.	.			trans	-124	128.6	-179.9	-64.1	170.9	0	0	0	110.2	G291 P316 D390 R391 P434	G291-L293 PolarHBondContact O-N 3.11Å; L293-P316 HydrophobicContact CD1-CB 4.22Å; L293-D390 HydrophobicContact CD1-CB 4.05Å; L293-D390 HydrophobicContact CD2-CB 4.24Å; L293-R391 HydrophobicContact CD1-CG 3.87Å; L293-P434 HydrophobicContact CD2-CG 3.79Å
294	Y	98.8	Very high	95.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	168.8	159.6	-66.6	-92.3	0	0	0	109.9	L255 I256 D257 I263 V275 V278 N279 Y292 P316 V317 I319	L255-Y294 HydrophobicContact CD1-CG 4.42Å; L255-Y294 HydrophobicContact CD2-CD1 4.09Å; L255-Y294 HydrophobicContact CD2-CG 4.24Å; L255-Y294 HydrophobicContact CG-CD1 4.15Å; L255-Y294 HydrophobicContact CG-CG 4.28Å; I256-Y294 CarbonylContact O-C 3.53Å; I256-Y294 WeakPolarHBondContact O-CA 3.12Å; I256-Y294 WeakPolarHBondContact O-CB 3.23Å; D257-Y294 HydrophobicContact CB-CD1 4.22Å; D257-Y294 HydrophobicContact CB-CE1 4.08Å; I263-Y294 HydrophobicContact CG1-CE1 4.37Å; V275-Y294 HydrophobicContact CG1-CE1 4.14Å; V278-Y294 HydrophobicContact CG2-CE2 4.33Å; N279-Y294 PolarHBondContact N-OH 3.34Å; N279-Y294 WeakPolarHBondContact O-CE2 3.46Å; Y292-Y294 HydrophobicContact CD1-CD2 4Å; Y292-Y294 AromaticContact CD1-CE2 3.78Å; Y292-Y294 HydrophobicContact CD1-CE2 3.78Å; Y292-Y294 HydrophobicContact CE1-CD1 4.24Å; Y292-Y294 AromaticContact CE1-CD2 3.69Å; Y292-Y294 HydrophobicContact CE1-CD2 3.69Å; Y292-Y294 AromaticContact CE1-CE1 3.99Å; Y292-Y294 HydrophobicContact CE1-CE1 3.99Å; Y292-Y294 AromaticContact CE1-CE2 3.41Å; Y292-Y294 HydrophobicContact CE1-CE2 3.41Å; Y292-Y294 VanDerWaalsContact CE1-CE2 3.41Å; Y292-Y294 HydrophobicContact CE1-CG 4.1Å; Y292-Y294 AromaticContact CE1-CZ 3.57Å; Y294-P316 CarbonylContact O-C 3.56Å; Y294-P316 WeakPolarHBondContact O-CA 3.28Å; Y294-V317 PolarHBondContact N-O 3.11Å; Y294-V317 PolarHBondContact O-N 3.45Å; Y294-I319 HydrophobicContact CD2-CD1 3.94Å; Y294-I319 HydrophobicContact CD2-CG1 4.16Å; Y294-I319 HydrophobicContact CE2-CD1 3.74Å; Y294-I319 HydrophobicContact CE2-CG1 4.24Å
295	L	98.8	Very high	93.8	Very high	70 Å²	70	57.4 Å²	57.4	37%	0.366	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.4	171.9	-58.7	178	0	0	0	109.3	L255 I256 T314 P316	L255-L295 WeakPolarHBondContact CA-O 3.36Å; I256-L295 HydrophobicContact CB-CB 4.26Å; I256-L295 PolarHBondContact N-O 3.24Å; I256-L295 PolarHBondContact O-N 2.86Å; L295-T314 HydrophobicContact CB-CG2 3.71Å; L295-T314 HydrophobicContact CD1-CG2 4.39Å; L295-T314 HydrophobicContact CD2-CG2 4.15Å; L295-T314 HydrophobicContact CG-CG2 4.3Å; L295-P316 HydrophobicContact CD2-CB 4.5Å; L295-P316 HydrophobicContact CD2-CG 4.44Å
296	L	98.8	Very high	92	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	97.4	171.7	-170.7	75.4	0	0	0	108.6	I224 V226 V253 T254 L255 L273 T314 L315 V317	I224-L296 HydrophobicContact CG2-CD2 4.14Å; V226-L296 HydrophobicContact CG2-CD2 3.66Å; V253-L296 HydrophobicContact CG1-CD1 3.52Å; V253-L296 HydrophobicContact CG1-CD2 4.38Å; V253-L296 HydrophobicContact CG1-CG 3.93Å; T254-L296 CarbonylContact O-C 3.16Å; T254-L296 WeakPolarHBondContact O-CA 3.38Å; L255-L296 HydrophobicContact CB-CD1 4.47Å; L255-L296 HydrophobicContact CD1-CB 4.21Å; L255-L296 HydrophobicContact CD1-CD1 3.9Å; L273-L296 HydrophobicContact CD1-CD1 3.73Å; L296-T314 WeakPolarHBondContact O-CA 3.48Å; L296-L315 HydrophobicContact CB-CB 4.45Å; L296-L315 PolarHBondContact N-O 3.49Å; L296-L315 PolarHBondContact O-N 2.74Å; L296-V317 HydrophobicContact CB-CG2 3.79Å
297	E	98.8	Very high	90.7	Very high	32 Å²	32	59 Å²	59	15%	0.15	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.4	176	-172.7	-169.6	74.7	0	0	109.9	V253 T254 I256 R299 V312	V253-E297 CarbonylContact C-O 3.58Å; V253-E297 WeakPolarHBondContact CA-O 3.3Å; T254-E297 PolarHBondContact N-O 2.81Å; T254-E297 PolarHBondContact O-N 3.06Å; I256-E297 HydrophobicContact CD1-CB 4.02Å; E297-R299 VanDerWaalsContact CD-NE 3.34Å; E297-R299 HydrophobicContact CG-CG 4.28Å; E297-R299 IonicContact OE1-CZ 2.68Å; E297-R299 IonicContact OE1-NE 2.84Å; E297-R299 PolarHBondContact OE1-NE 3.44Å; E297-R299 IonicContact OE1-NH2 3.93Å; E297-R299 PolarHBondContact OE1-NH2 2.58Å; E297-R299 IonicContact OE2-CZ 3.38Å; E297-R299 IonicContact OE2-NE 3.42Å; E297-R299 IonicContact OE2-NH2 3.81Å; E297-R299 PolarHBondContact OE2-NH2 2.89Å; E297-V312 HydrophobicContact CG-CG1 4.03Å
298	V	98.6	Very high	90	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.7	173.4	-177.4	0	0	0	0	108.3	V221 I224 V241 M251 V253 V312 Y313	V221-V298 HydrophobicContact CG2-CB 4.35Å; V221-V298 HydrophobicContact CG2-CG1 3.65Å; I224-V298 HydrophobicContact CD1-CG2 3.79Å; V241-V298 HydrophobicContact CG1-CG1 4.1Å; V241-V298 HydrophobicContact CG2-CG1 4.38Å; V241-V298 HydrophobicContact CG2-CG2 4.1Å; M251-V298 HydrophobicContact CG-CG1 3.92Å; M251-V298 HydrophobicContact SD-CG1 3.41Å; M251-V298 WeakPolarHBondContact SD-CG1 3.45Å; V253-V298 HydrophobicContact CG1-CG2 4.38Å; V253-V298 HydrophobicContact CG2-CG1 4.38Å; V253-V298 HydrophobicContact CG2-CG2 4.29Å; V298-V312 VanDerWaalsContact O-CA 3.31Å; V298-V312 WeakPolarHBondContact O-CA 3.19Å; V298-Y313 PolarHBondContact N-O 2.91Å; V298-Y313 PolarHBondContact O-N 3.34Å
299	R	98.2	Very high	89.7	Confident	76 Å²	76	54.8 Å²	54.8	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.8	171.9	-63.5	-173.9	176.5	-96.8	-11.9	109.7	M251 K252 E297 E310 D311 V312	M251-R299 CarbonylContact C-O 3.29Å; M251-R299 VanDerWaalsContact CA-O 3.28Å; M251-R299 WeakPolarHBondContact CA-O 3.4Å; K252-R299 PolarHBondContact N-O 3.13Å; K252-R299 PolarHBondContact O-N 3.08Å; E297-R299 VanDerWaalsContact CD-NE 3.34Å; E297-R299 HydrophobicContact CG-CG 4.28Å; E297-R299 IonicContact OE1-CZ 2.68Å; E297-R299 IonicContact OE1-NE 2.84Å; E297-R299 PolarHBondContact OE1-NE 3.44Å; E297-R299 IonicContact OE1-NH2 3.93Å; E297-R299 PolarHBondContact OE1-NH2 2.58Å; E297-R299 IonicContact OE2-CZ 3.38Å; E297-R299 IonicContact OE2-NE 3.42Å; E297-R299 IonicContact OE2-NH2 3.81Å; E297-R299 PolarHBondContact OE2-NH2 2.89Å; R299-E310 IonicContact NH1-OE1 3.52Å; R299-D311 CarbonylContact C-O 3.52Å; R299-D311 WeakPolarHBondContact CA-O 3.3Å; R299-V312 HydrophobicContact CG-CG1 4.26Å; R299-V312 HydrophobicContact CG-CG2 4.12Å
300	L	97	Very high	89.7	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.5	175.9	-179.4	72.4	0	0	0	109	A219 V221 V243 A249 M251 E310 D311	A219-L300 HydrophobicContact CB-CD2 4.42Å; V221-L300 HydrophobicContact CG2-CB 4.26Å; V243-L300 HydrophobicContact CB-CD2 4.48Å; V243-L300 HydrophobicContact CG1-CD1 4.08Å; V243-L300 HydrophobicContact CG1-CD2 3.53Å; V243-L300 HydrophobicContact CG1-CG 4.45Å; V243-L300 HydrophobicContact CG2-CD1 3.84Å; V243-L300 HydrophobicContact CG2-CD2 4.12Å; A249-L300 HydrophobicContact CB-CD1 3.44Å; A249-L300 VanDerWaalsContact CB-CD1 3.44Å; A249-L300 HydrophobicContact CB-CG 4.17Å; M251-L300 HydrophobicContact CB-CD1 4.31Å; M251-L300 HydrophobicContact SD-CD1 4.36Å; L300-E310 CarbonylContact O-C 3.56Å; L300-E310 VanDerWaalsContact O-CA 3.23Å; L300-E310 WeakPolarHBondContact O-CA 3.15Å; L300-D311 HydrophobicContact CB-CB 4.24Å; L300-D311 HydrophobicContact CD2-CB 4.48Å; L300-D311 PolarHBondContact N-O 2.88Å; L300-D311 PolarHBondContact O-N 3.37Å
301	K	95.3	Very high	89.7	Confident	107 Å²	107	52 Å²	52	47%	0.465	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	113.2	173	-68.4	-178.6	179.6	-174.9	0	109.4	A249 T250 S309 E310	A249-K301 WeakPolarHBondContact CA-O 3.28Å; T250-K301 PolarHBondContact N-O 3.3Å; T250-K301 PolarHBondContact O-N 2.94Å; T250-K301 PolarHBondContact OG1-O 3.49Å; K301-S309 WeakPolarHBondContact CA-O 3.34Å; K301-E310 WeakPolarHBondContact CE-OE1 3.34Å; K301-E310 HydrophobicContact CG-CB 4.38Å; K301-E310 HydrophobicContact CG-CG 4.12Å; K301-E310 IonicContact NZ-OE1 3.64Å
302	A	91.6	Very high	89.7	Confident	6 Å²	6	51.9 Å²	51.9	5%	0.05	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.4	175.3	0	0	0	0	0	109.9	A219 T246 A249 T308 S309	A219-A302 HydrophobicContact CB-CB 3.42Å; A219-A302 VanDerWaalsContact CB-CB 3.42Å; T246-A302 HydrophobicContact CG2-CB 4.14Å; A249-A302 HydrophobicContact CB-CB 4.19Å; A302-T308 WeakPolarHBondContact O-CA 3.19Å; A302-S309 PolarHBondContact N-O 2.95Å; A302-S309 PolarHBondContact O-N 3.39Å
303	S	82.5	Confident	89.7	Confident	87 Å²	87	50.6 Å²	50.6	61%	0.608	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.2	172.8	-60.3	0	0	0	0	108.1	T308	S303-T308 WeakPolarHBondContact OG-CG2 3.49Å
304	D	70	Confident	89.7	Confident	128 Å²	128	51.3 Å²	51.3	68%	0.684	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	169.1	167.4	-156.5	-1.3	0	0	0	109.6	S306 S307	D304-S306 PolarHBondContact O-N 3.18Å; D304-S307 PolarHBondContact N-O 3.37Å; D304-S307 PolarHBondContact O-N 3.44Å
305	A	60.3	Low	89.7	Confident	108 Å²	108	51.9 Å²	51.9	89%	0.893	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.4	-168.5	0	0	0	0	0	115.8
306	S	61.3	Low	89.7	Confident	116 Å²	116	49.8 Å²	49.8	81%	0.811	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	-7.6	-178.1	60	0	0	0	0	115.6	D304	D304-S306 PolarHBondContact O-N 3.18Å
307	S	71.4	Confident	89.7	Confident	70 Å²	70	50 Å²	50	49%	0.49	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	154.7	-177.4	66.2	0	0	0	0	113.8	D304	D304-S307 PolarHBondContact N-O 3.37Å; D304-S307 PolarHBondContact O-N 3.44Å
308	T	82.8	Confident	89.7	Confident	112 Å²	112	48.6 Å²	48.6	69%	0.687	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.2	169.3	4.5	0	0	0	0	108.6	A302 S303	A302-T308 WeakPolarHBondContact O-CA 3.19Å; S303-T308 WeakPolarHBondContact OG-CG2 3.49Å
309	S	90.3	Very high	89.7	Confident	38 Å²	38	48.6 Å²	48.6	27%	0.266	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.2	174.6	60.3	0	0	0	0	110.2	K301 A302	K301-S309 WeakPolarHBondContact CA-O 3.34Å; A302-S309 PolarHBondContact N-O 2.95Å; A302-S309 PolarHBondContact O-N 3.39Å
310	E	95.4	Very high	89.7	Confident	68 Å²	68	45.5 Å²	45.5	32%	0.318	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.4	173.6	-175.3	175.6	-132	0	0	108.8	S29 P217 R299 L300 K301 V312	S29-E310 WeakPolarHBondContact CB-O 3.29Å; P217-E310 WeakPolarHBondContact CG-O 3.46Å; R299-E310 IonicContact NH1-OE1 3.52Å; L300-E310 CarbonylContact O-C 3.56Å; L300-E310 VanDerWaalsContact O-CA 3.23Å; L300-E310 WeakPolarHBondContact O-CA 3.15Å; K301-E310 WeakPolarHBondContact CE-OE1 3.34Å; K301-E310 HydrophobicContact CG-CB 4.38Å; K301-E310 HydrophobicContact CG-CG 4.12Å; K301-E310 IonicContact NZ-OE1 3.64Å; E310-V312 HydrophobicContact CG-CG2 4.03Å
311	D	98.1	Very high	89.8	Confident	1 Å²	1	46 Å²	46	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.1	168.5	-173.1	34.3	0	0	0	110.1	S29 R30 P217 Y220 V221 R299 L300	S29-D311 WeakPolarHBondContact OG-CA 3.33Å; S29-D311 PolarHBondContact OG-OD1 2.84Å; R30-D311 IonicContact CZ-OD1 3.58Å; R30-D311 IonicContact CZ-OD2 2.68Å; R30-D311 IonicContact NE-OD1 2.87Å; R30-D311 PolarHBondContact NE-OD1 2.91Å; R30-D311 IonicContact NE-OD2 3.92Å; R30-D311 IonicContact NH2-OD1 2.94Å; R30-D311 IonicContact NH2-OD2 3.86Å; R30-D311 PolarHBondContact NH2-OD2 3.07Å; P217-D311 HydrophobicContact CG-CB 3.91Å; Y220-D311 VanDerWaalsContact CA-OD2 3.32Å; Y220-D311 WeakPolarHBondContact CA-OD2 3.39Å; V221-D311 PolarHBondContact N-OD2 3Å; R299-D311 CarbonylContact C-O 3.52Å; R299-D311 WeakPolarHBondContact CA-O 3.3Å; L300-D311 HydrophobicContact CB-CB 4.24Å; L300-D311 HydrophobicContact CD2-CB 4.48Å; L300-D311 PolarHBondContact N-O 2.88Å; L300-D311 PolarHBondContact O-N 3.37Å
312	V	98.4	Very high	90	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.5	-179.1	-173.3	0	0	0	0	108.7	S27 S28 S29 E297 V298 R299 E310	S27-V312 WeakPolarHBondContact CB-O 3.25Å; S27-V312 PolarHBondContact OG-O 2.97Å; S28-V312 WeakPolarHBondContact OG-CG2 3.49Å; S29-V312 PolarHBondContact OG-N 2.9Å; E297-V312 HydrophobicContact CG-CG1 4.03Å; V298-V312 VanDerWaalsContact O-CA 3.31Å; V298-V312 WeakPolarHBondContact O-CA 3.19Å; R299-V312 HydrophobicContact CG-CG1 4.26Å; R299-V312 HydrophobicContact CG-CG2 4.12Å; E310-V312 HydrophobicContact CG-CG2 4.03Å
313	Y	98.7	Very high	90.3	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.5	173	-170.2	-88.5	0	0	0	110.1	L22 F23 R25 R30 I224 V298 L315	L22-Y313 HydrophobicContact CB-CE2 4.15Å; L22-Y313 HydrophobicContact CD1-CD1 4.29Å; L22-Y313 HydrophobicContact CD1-CE1 4.06Å; L22-Y313 HydrophobicContact CD1-CE2 4.36Å; L22-Y313 HydrophobicContact CD2-CE1 4.26Å; F23-Y313 WeakPolarHBondContact O-CE2 3.45Å; F23-Y313 PolarHBondContact O-OH 2.81Å; R25-Y313 HydrophobicContact CB-CE2 4.25Å; R25-Y313 HydrophobicContact CG-CE2 4.26Å; R30-Y313 VanDerWaalsContact NH1-CD2 3.34Å; I224-Y313 HydrophobicContact CD1-CD1 3.48Å; I224-Y313 VanDerWaalsContact CD1-CD1 3.48Å; I224-Y313 HydrophobicContact CD1-CE1 3.98Å; I224-Y313 HydrophobicContact CD1-CG 4.42Å; V298-Y313 PolarHBondContact N-O 2.91Å; V298-Y313 PolarHBondContact O-N 3.34Å; Y313-L315 HydrophobicContact CE1-CB 4.13Å; Y313-L315 HydrophobicContact CE1-CD1 4.47Å
314	T	98.5	Very high	91.1	Very high	42 Å²	42	43.4 Å²	43.4	26%	0.258	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121	179.1	-59	0	0	0	0	110.4	R25 L295 L296	R25-T314 WeakPolarHBondContact CD-O 3.25Å; L295-T314 HydrophobicContact CB-CG2 3.71Å; L295-T314 HydrophobicContact CD1-CG2 4.39Å; L295-T314 HydrophobicContact CD2-CG2 4.15Å; L295-T314 HydrophobicContact CG-CG2 4.3Å; L296-T314 WeakPolarHBondContact O-CA 3.48Å
315	L	98.8	Very high	92.4	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.9	178.9	-178.9	67.8	0	0	0	110.4	I224 V226 L296 Y313 N432	I224-L315 HydrophobicContact CB-CD2 4.11Å; I224-L315 HydrophobicContact CD1-CB 4.35Å; I224-L315 HydrophobicContact CG2-CD2 3.66Å; V226-L315 HydrophobicContact CG2-CD2 3.8Å; L296-L315 HydrophobicContact CB-CB 4.45Å; L296-L315 PolarHBondContact N-O 3.49Å; L296-L315 PolarHBondContact O-N 2.74Å; Y313-L315 HydrophobicContact CE1-CB 4.13Å; Y313-L315 HydrophobicContact CE1-CD1 4.47Å; L315-N432 HydrophobicContact CD1-CB 4.3Å; L315-N432 HydrophobicContact CD2-CB 4.08Å
316	P	98.8	Very high	94.2	Very high	27 Å²	27	37.4 Å²	37.4	18%	0.175	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.7	169	-21	33.5	0	0	0	111.7	L293 Y294 L295	L293-P316 HydrophobicContact CD1-CB 4.22Å; Y294-P316 CarbonylContact O-C 3.56Å; Y294-P316 WeakPolarHBondContact O-CA 3.28Å; L295-P316 HydrophobicContact CD2-CB 4.5Å; L295-P316 HydrophobicContact CD2-CG 4.44Å
317	V	98.9	Very high	96	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.6	-178.7	176.9	0	0	0	0	110.1	V226 T228 V237 Y294 L296 I319	V226-V317 HydrophobicContact CG1-CG1 3.89Å; V226-V317 HydrophobicContact CG1-CG2 4.18Å; V226-V317 HydrophobicContact CG2-CG2 4.21Å; T228-V317 HydrophobicContact CG2-CG1 3.83Å; V237-V317 HydrophobicContact CG1-CG1 4.27Å; Y294-V317 PolarHBondContact N-O 3.11Å; Y294-V317 PolarHBondContact O-N 3.45Å; L296-V317 HydrophobicContact CB-CG2 3.79Å; V317-I319 HydrophobicContact CG1-CG1 4.44Å
318	G	98.8	Very high	97.2	Very high	3 Å²	3	34 Å²	34	3%	0.031	20%	0.2	C	C	.	.			trans	-97.3	118.9	167.4	0	0	0	0	0	110.4	R320	G318-R320 PolarHBondContact O-N 2.88Å
319	I	98.9	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.			trans	-80.2	109.2	178.8	-60	176.1	0	0	0	108.5	T228 V237 V275 V278 L280 W281 Y294 V317	T228-I319 HydrophobicContact CG2-CG1 4.17Å; V237-I319 HydrophobicContact CG2-CD1 3.51Å; V237-I319 HydrophobicContact CG2-CG1 3.8Å; V275-I319 HydrophobicContact CB-CD1 4.32Å; V275-I319 HydrophobicContact CG1-CD1 4.49Å; V275-I319 HydrophobicContact CG2-CD1 3.98Å; V278-I319 HydrophobicContact CG2-CB 4.07Å; V278-I319 HydrophobicContact CG2-CD1 3.59Å; V278-I319 HydrophobicContact CG2-CG1 4.4Å; V278-I319 HydrophobicContact CG2-CG2 3.99Å; L280-I319 CarbonylContact C-O 3.54Å; L280-I319 VanDerWaalsContact CA-O 3.3Å; L280-I319 WeakPolarHBondContact CA-O 3.37Å; L280-I319 HydrophobicContact CD2-CB 4.35Å; L280-I319 HydrophobicContact CD2-CG2 3.79Å; L280-I319 WeakPolarHBondContact CD2-O 3.31Å; W281-I319 PolarHBondContact N-O 3.02Å; Y294-I319 HydrophobicContact CD2-CD1 3.94Å; Y294-I319 HydrophobicContact CD2-CG1 4.16Å; Y294-I319 HydrophobicContact CE2-CD1 3.74Å; Y294-I319 HydrophobicContact CE2-CG1 4.24Å; V317-I319 HydrophobicContact CG1-CG1 4.44Å
320	R	98.8	Very high	98.4	Very high	11 Å²	11	28.9 Å²	28.9	4%	0.042	16%	0.163	C	C	.	.			trans	-153.7	157.1	177.9	62.8	90.8	-178.2	97.1	-4.7	112.4	T228 W281 G318 N332 H433 P434 V436 R470	T228-R320 PolarHBondContact OG1-N 3.16Å; T228-R320 VanDerWaalsContact OG1-N 3.16Å; T228-R320 PolarHBondContact OG1-O 2.75Å; W281-R320 HydrophobicContact CB-CB 4.23Å; W281-R320 HydrophobicContact CB-CG 4.4Å; W281-R320 HydrophobicContact CE3-CB 4.34Å; W281-R320 HydrophobicContact CE3-CG 4.07Å; G318-R320 PolarHBondContact O-N 2.88Å; R320-N332 WeakPolarHBondContact CA-OD1 3.48Å; R320-N332 VanDerWaalsContact CB-OD1 3.24Å; R320-N332 WeakPolarHBondContact CB-OD1 3.35Å; R320-H433 PolarHBondContact NH2-O 2.9Å; R320-P434 HydrophobicContact CG-CB 4.16Å; R320-P434 PolarHBondContact NE-O 3.49Å; R320-P434 PolarHBondContact NH2-O 2.9Å; R320-V436 PolarHBondContact NH2-O 3.41Å; R320-R470 VanDerWaalsContact NH2-NE 3.17Å
321	T	98.8	Very high	98.6	Very high	13 Å²	13	25.7 Å²	25.7	8%	0.08	15%	0.148	C	C	.	.			trans	-112.4	150.9	169.5	61.8	0	0	0	0	110.9	D229 F230 I331 N332	D229-T321 WeakPolarHBondContact OD1-CG2 3.35Å; F230-T321 HydrophobicContact CD1-CG2 3.88Å; F230-T321 HydrophobicContact CE1-CG2 3.91Å; T321-I331 WeakPolarHBondContact O-CA 3.47Å; T321-N332 PolarHBondContact N-OD1 2.68Å; T321-N332 PolarHBondContact O-N 3.34Å; T321-N332 VanDerWaalsContact O-N 3.08Å
322	V	98.8	Very high	98.6	Very high	11 Å²	11	25.9 Å²	25.9	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	172	176.9	0	0	0	0	107.9	F329 F330 V437 P471	V322-F329 HydrophobicContact CG1-CE1 3.67Å; V322-F329 HydrophobicContact CG1-CE2 4.29Å; V322-F329 HydrophobicContact CG1-CZ 3.42Å; V322-F329 VanDerWaalsContact CG1-CZ 3.42Å; V322-F330 WeakPolarHBondContact CA-O 3.48Å; V322-V437 HydrophobicContact CG1-CB 4.38Å; V322-V437 HydrophobicContact CG2-CB 3.93Å; V322-V437 HydrophobicContact CG2-CG1 3.9Å; V322-P471 HydrophobicContact CG1-CG 4.27Å
323	N	98.5	Very high	98.6	Very high	86 Å²	86	30.4 Å²	30.4	46%	0.46	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151	177	-72.9	-54.7	0	0	0	110.4	F330	N323-F330 HydrophobicContact CB-CB 4.25Å; N323-F330 PolarHBondContact N-O 2.83Å; N323-F330 PolarHBondContact O-N 2.83Å
324	V	98.6	Very high	98.6	Very high	48 Å²	48	36 Å²	36	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.4	177.6	-178.2	0	0	0	0	109.1	F329 P471 V491 P528	V324-F329 HydrophobicContact CG2-CD2 3.67Å; V324-F329 HydrophobicContact CG2-CE2 3.82Å; V324-F329 HydrophobicContact CG2-CG 4.45Å; V324-P471 HydrophobicContact CG2-CB 3.84Å; V324-P471 HydrophobicContact CG2-CG 3.74Å; V324-V491 HydrophobicContact CG1-CG2 3.95Å; V324-V491 HydrophobicContact CG2-CG2 4.12Å; V324-P528 HydrophobicContact CG1-CG 3.67Å
325	S	98.3	Very high	98.6	Very high	41 Å²	41	37.2 Å²	37.2	29%	0.287	21%	0.207	S	C	.	.			trans	-106.9	-176.6	168.9	67.2	0	0	0	0	110.2	T327 Q328 P528	S325-T327 PolarHBondContact O-N 2.92Å; S325-T327 VanDerWaalsContact O-N 3.1Å; S325-T327 PolarHBondContact OG-N 2.87Å; S325-Q328 PolarHBondContact N-O 2.96Å; S325-Q328 PolarHBondContact OG-N 2.94Å; S325-Q328 PolarHBondContact OG-O 3.47Å; S325-Q328 VanDerWaalsContact OG-O 3.07Å; S325-P528 VanDerWaalsContact O-CD 3.29Å; S325-P528 WeakPolarHBondContact O-CD 3.42Å
326	S	97.6	Very high	98.6	Very high	70 Å²	70	37 Å²	37	49%	0.49	21%	0.205	S	C	.	.	S	Bend	trans	-62.7	-14.7	174	55.3	0	0	0	0	114.5	Y522 K526 K527 P528	S326-Y522 WeakPolarHBondContact O-CE2 3.5Å; S326-K526 WeakPolarHBondContact CB-O 3.36Å; S326-K527 CarbonylContact O-C 3.55Å; S326-P528 WeakPolarHBondContact O-CD 3.38Å
327	T	98.1	Very high	98.6	Very high	38 Å²	38	37.6 Å²	37.6	23%	0.233	20%	0.204	C	C	.	.	S	Bend	trans	-135.6	-20.7	-171.9	47.3	0	0	0	0	115.1	S325 Y522 K572 Y573 I575	S325-T327 PolarHBondContact O-N 2.92Å; S325-T327 VanDerWaalsContact O-N 3.1Å; S325-T327 PolarHBondContact OG-N 2.87Å; T327-Y522 HydrophobicContact CG2-CE2 4.22Å; T327-Y522 WeakPolarHBondContact CG2-OH 3.38Å; T327-K572 WeakPolarHBondContact CB-O 3.13Å; T327-Y573 WeakPolarHBondContact O-CA 3.24Å; T327-I575 VanDerWaalsContact O-CG2 3.26Å; T327-I575 WeakPolarHBondContact O-CG2 3.4Å
328	Q	98.4	Very high	98.6	Very high	75 Å²	75	37.4 Å²	37.4	35%	0.35	20%	0.203	S	C	.	.			trans	-136.5	146	-170.7	-61.2	-168.4	-61.3	0	0	111.7	S325 F330	S325-Q328 PolarHBondContact N-O 2.96Å; S325-Q328 PolarHBondContact OG-N 2.94Å; S325-Q328 PolarHBondContact OG-O 3.47Å; S325-Q328 VanDerWaalsContact OG-O 3.07Å; Q328-F330 HydrophobicContact CB-CD2 4.35Å; Q328-F330 HydrophobicContact CB-CE1 4.37Å; Q328-F330 HydrophobicContact CB-CE2 3.59Å; Q328-F330 HydrophobicContact CB-CZ 3.6Å; Q328-F330 HydrophobicContact CG-CZ 4.37Å
329	F	98.8	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.4	165.1	-160.4	-82.8	0	0	0	108.9	V322 V324 I331 P335 F336 F338 V437 M438 P471 V491 I575	V322-F329 HydrophobicContact CG1-CE1 3.67Å; V322-F329 HydrophobicContact CG1-CE2 4.29Å; V322-F329 HydrophobicContact CG1-CZ 3.42Å; V322-F329 VanDerWaalsContact CG1-CZ 3.42Å; V324-F329 HydrophobicContact CG2-CD2 3.67Å; V324-F329 HydrophobicContact CG2-CE2 3.82Å; V324-F329 HydrophobicContact CG2-CG 4.45Å; F329-I331 HydrophobicContact CD1-CG1 4.22Å; F329-I331 HydrophobicContact CE1-CD1 4.29Å; F329-I331 HydrophobicContact CE1-CG1 3.92Å; F329-P335 CarbonylContact O-C 3.6Å; F329-P335 WeakPolarHBondContact O-CA 3.41Å; F329-F336 HydrophobicContact CD1-CB 4.12Å; F329-F336 HydrophobicContact CD1-CD1 4.06Å; F329-F336 HydrophobicContact CE1-CD1 4.46Å; F329-F336 PolarHBondContact O-N 2.87Å; F329-F338 HydrophobicContact CB-CE2 4.29Å; F329-F338 HydrophobicContact CD1-CE2 4.06Å; F329-F338 HydrophobicContact CD1-CZ 4.21Å; F329-F338 AromaticContact CD2-CE2 3.86Å; F329-F338 HydrophobicContact CD2-CE2 3.86Å; F329-F338 HydrophobicContact CD2-CZ 4.13Å; F329-F338 HydrophobicContact CE1-CE2 4.32Å; F329-F338 HydrophobicContact CE1-CZ 4Å; F329-F338 HydrophobicContact CE2-CE2 4.13Å; F329-F338 AromaticContact CE2-CZ 3.91Å; F329-F338 HydrophobicContact CE2-CZ 3.91Å; F329-F338 AromaticContact CG-CE2 3.81Å; F329-F338 HydrophobicContact CG-CE2 3.81Å; F329-F338 HydrophobicContact CG-CZ 4.27Å; F329-F338 HydrophobicContact CZ-CE2 4.36Å; F329-F338 AromaticContact CZ-CZ 3.86Å; F329-F338 HydrophobicContact CZ-CZ 3.86Å; F329-V437 HydrophobicContact CE1-CB 4.19Å; F329-V437 HydrophobicContact CE1-CG2 4.07Å; F329-V437 HydrophobicContact CZ-CB 3.89Å; F329-V437 HydrophobicContact CZ-CG2 3.68Å; F329-M438 HydrophobicContact CE2-SD 4.43Å; F329-P471 HydrophobicContact CE2-CG 3.73Å; F329-P471 HydrophobicContact CZ-CG 4.15Å; F329-V491 HydrophobicContact CD2-CG2 4.31Å; F329-I575 HydrophobicContact CB-CB 4.48Å; F329-I575 HydrophobicContact CB-CD1 3.69Å; F329-I575 HydrophobicContact CD2-CD1 4.04Å; F329-I575 HydrophobicContact CG-CD1 4.31Å
330	F	98.9	Very high	98.5	Very high	44 Å²	44	40.9 Å²	40.9	19%	0.193	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133	-179.2	-60.4	-92.7	0	0	0	110.9	V322 N323 Q328 K334 P335	V322-F330 WeakPolarHBondContact CA-O 3.48Å; N323-F330 HydrophobicContact CB-CB 4.25Å; N323-F330 PolarHBondContact N-O 2.83Å; N323-F330 PolarHBondContact O-N 2.83Å; Q328-F330 HydrophobicContact CB-CD2 4.35Å; Q328-F330 HydrophobicContact CB-CE1 4.37Å; Q328-F330 HydrophobicContact CB-CE2 3.59Å; Q328-F330 HydrophobicContact CB-CZ 3.6Å; Q328-F330 HydrophobicContact CG-CZ 4.37Å; F330-K334 VanDerWaalsContact CA-O 3.26Å; F330-K334 WeakPolarHBondContact CA-O 3.33Å; F330-P335 HydrophobicContact CD1-CG 4.21Å; F330-P335 HydrophobicContact CE1-CG 3.83Å
331	I	98.9	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.9	162.9	-62.4	176.8	0	0	0	106.7	P283 T321 F329 N333 K334 F336 V395 V437	P283-I331 HydrophobicContact CG-CD1 3.61Å; P283-I331 HydrophobicContact CG-CG2 4.19Å; T321-I331 WeakPolarHBondContact O-CA 3.47Å; F329-I331 HydrophobicContact CD1-CG1 4.22Å; F329-I331 HydrophobicContact CE1-CD1 4.29Å; F329-I331 HydrophobicContact CE1-CG1 3.92Å; I331-N333 VanDerWaalsContact C-N 3.28Å; I331-N333 PolarHBondContact O-N 2.85Å; I331-K334 PolarHBondContact N-O 2.94Å; I331-K334 PolarHBondContact O-N 2.88Å; I331-F336 HydrophobicContact CB-CB 4.48Å; I331-F336 HydrophobicContact CD1-CB 4.15Å; I331-F336 HydrophobicContact CD1-CD1 3.85Å; I331-F336 HydrophobicContact CD1-CD2 3.92Å; I331-F336 HydrophobicContact CD1-CE1 4.2Å; I331-F336 HydrophobicContact CD1-CE2 4.25Å; I331-F336 HydrophobicContact CD1-CG 3.69Å; I331-F336 HydrophobicContact CD1-CZ 4.39Å; I331-F336 HydrophobicContact CG1-CB 4.08Å; I331-F336 HydrophobicContact CG1-CG 4.18Å; I331-V395 HydrophobicContact CD1-CG2 3.94Å; I331-V437 HydrophobicContact CD1-CG1 4.12Å
332	N	98.6	Very high	98.5	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.032	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	44.2	-178.3	-56.2	-27.8	0	0	0	113.3	F230 L280 W281 W282 R320 T321 K334	F230-N332 HydrophobicContact CE1-CB 4.12Å; F230-N332 HydrophobicContact CZ-CB 4.17Å; L280-N332 HydrophobicContact CD1-CB 4.02Å; W281-N332 PolarHBondContact O-ND2 2.92Å; W282-N332 HydrophobicContact CE3-CB 4.36Å; W282-N332 HydrophobicContact CH2-CB 3.34Å; W282-N332 HydrophobicContact CZ2-CB 3.79Å; W282-N332 HydrophobicContact CZ3-CB 3.67Å; R320-N332 WeakPolarHBondContact CA-OD1 3.48Å; R320-N332 VanDerWaalsContact CB-OD1 3.24Å; R320-N332 WeakPolarHBondContact CB-OD1 3.35Å; T321-N332 PolarHBondContact N-OD1 2.68Å; T321-N332 PolarHBondContact O-N 3.34Å; T321-N332 VanDerWaalsContact O-N 3.08Å; N332-K334 PolarHBondContact O-N 2.8Å; N332-K334 VanDerWaalsContact O-N 3.1Å
333	N	97.8	Very high	98.5	Very high	99 Å²	99	39.8 Å²	39.8	53%	0.529	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	14.5	-178.1	-51.9	-35.8	0	0	0	114.8	F230 I331	F230-N333 WeakPolarHBondContact CZ-ND2 3.4Å; I331-N333 VanDerWaalsContact C-N 3.28Å; I331-N333 PolarHBondContact O-N 2.85Å
334	K	98.5	Very high	98.5	Very high	123 Å²	123	36.5 Å²	36.5	54%	0.535	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.2	173.5	-64.2	-64.3	-175	179.5	0	110.2	W282 M286 F330 I331 N332 F336	W282-K334 HydrophobicContact CH2-CB 4.32Å; W282-K334 HydrophobicContact CH2-CG 3.73Å; W282-K334 HydrophobicContact CZ3-CB 4.2Å; W282-K334 HydrophobicContact CZ3-CG 4.09Å; M286-K334 HydrophobicContact CE-CB 3.98Å; F330-K334 VanDerWaalsContact CA-O 3.26Å; F330-K334 WeakPolarHBondContact CA-O 3.33Å; I331-K334 PolarHBondContact N-O 2.94Å; I331-K334 PolarHBondContact O-N 2.88Å; N332-K334 PolarHBondContact O-N 2.8Å; N332-K334 VanDerWaalsContact O-N 3.1Å; K334-F336 PolarHBondContact O-N 2.86Å
335	P	98.5	Very high	98.5	Very high	68 Å²	68	35 Å²	35	44%	0.442	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	131.6	174.1	-25.2	33.5	0	0	0	111.1	F329 F330	F329-P335 CarbonylContact O-C 3.6Å; F329-P335 WeakPolarHBondContact O-CA 3.41Å; F330-P335 HydrophobicContact CD1-CG 4.21Å; F330-P335 HydrophobicContact CE1-CG 3.83Å
336	F	98.8	Very high	98.5	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.039	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.8	176.6	-179.9	-109.5	0	0	0	109.5	P283 M286 F329 I331 K334 F338 N372 V395	P283-F336 HydrophobicContact CB-CE2 3.84Å; P283-F336 HydrophobicContact CG-CD2 4.2Å; P283-F336 HydrophobicContact CG-CE2 3.89Å; M286-F336 HydrophobicContact CG-CD2 4.45Å; M286-F336 HydrophobicContact SD-CD2 3.51Å; M286-F336 VanDerWaalsContact SD-CD2 3.51Å; M286-F336 HydrophobicContact SD-CE2 4.15Å; F329-F336 HydrophobicContact CD1-CB 4.12Å; F329-F336 HydrophobicContact CD1-CD1 4.06Å; F329-F336 HydrophobicContact CE1-CD1 4.46Å; F329-F336 PolarHBondContact O-N 2.87Å; I331-F336 HydrophobicContact CB-CB 4.48Å; I331-F336 HydrophobicContact CD1-CB 4.15Å; I331-F336 HydrophobicContact CD1-CD1 3.85Å; I331-F336 HydrophobicContact CD1-CD2 3.92Å; I331-F336 HydrophobicContact CD1-CE1 4.2Å; I331-F336 HydrophobicContact CD1-CE2 4.25Å; I331-F336 HydrophobicContact CD1-CG 3.69Å; I331-F336 HydrophobicContact CD1-CZ 4.39Å; I331-F336 HydrophobicContact CG1-CB 4.08Å; I331-F336 HydrophobicContact CG1-CG 4.18Å; K334-F336 PolarHBondContact O-N 2.86Å; F336-F338 HydrophobicContact CD1-CD1 4.44Å; F336-F338 AromaticContact CD1-CD2 3.84Å; F336-F338 HydrophobicContact CD1-CD2 3.84Å; F336-F338 HydrophobicContact CD1-CE1 4.32Å; F336-F338 AromaticContact CD1-CE2 3.7Å; F336-F338 HydrophobicContact CD1-CE2 3.7Å; F336-F338 HydrophobicContact CD1-CG 4.2Å; F336-F338 AromaticContact CD1-CZ 3.94Å; F336-F338 HydrophobicContact CD1-CZ 3.94Å; F336-F338 HydrophobicContact CE1-CB 4.38Å; F336-F338 AromaticContact CE1-CD1 3.62Å; F336-F338 HydrophobicContact CE1-CD1 3.62Å; F336-F338 AromaticContact CE1-CD2 3.77Å; F336-F338 HydrophobicContact CE1-CD2 3.77Å; F336-F338 AromaticContact CE1-CE1 3.71Å; F336-F338 HydrophobicContact CE1-CE1 3.71Å; F336-F338 AromaticContact CE1-CE2 3.85Å; F336-F338 HydrophobicContact CE1-CE2 3.85Å; F336-F338 AromaticContact CE1-CG 3.63Å; F336-F338 HydrophobicContact CE1-CG 3.63Å; F336-F338 AromaticContact CE1-CZ 3.82Å; F336-F338 HydrophobicContact CE1-CZ 3.82Å; F336-N372 WeakPolarHBondContact CE2-ND2 3.46Å; F336-N372 WeakPolarHBondContact CZ-ND2 3.47Å; F336-V395 HydrophobicContact CE1-CB 4.23Å; F336-V395 HydrophobicContact CE1-CG1 3.96Å; F336-V395 HydrophobicContact CE1-CG2 4.22Å; F336-V395 HydrophobicContact CE2-CG2 4.21Å; F336-V395 HydrophobicContact CZ-CB 3.91Å; F336-V395 HydrophobicContact CZ-CG1 4.16Å; F336-V395 HydrophobicContact CZ-CG2 3.7Å
337	Y	98.9	Very high	98.6	Very high	40 Å²	40	32.6 Å²	32.6	16%	0.157	17%	0.167	C	C	.	.			trans	-120.7	126.9	172.9	-170.2	-94.7	0	0	0	108.1	H339 N372 R570 V574 I575 E577	Y337-H339 HydrophobicContact CD1-CB 4.12Å; Y337-H339 HydrophobicContact CE1-CB 4.27Å; Y337-H339 PolarHBondContact O-CD2 2.82Å; Y337-H339 PolarHBondContact O-N 3.09Å; Y337-N372 PolarHBondContact O-ND2 2.71Å; Y337-R570 HydrophobicContact CD2-CB 4.18Å; Y337-R570 HydrophobicContact CE2-CB 3.41Å; Y337-R570 VanDerWaalsContact CE2-CB 3.41Å; Y337-V574 HydrophobicContact CE2-CG1 4.48Å; Y337-I575 CarbonylContact C-O 3.55Å; Y337-I575 VanDerWaalsContact CA-O 3.28Å; Y337-I575 WeakPolarHBondContact CA-O 3.47Å; Y337-I575 WeakPolarHBondContact CD2-O 3.13Å; Y337-I575 VanDerWaalsContact CE2-C 3.46Å; Y337-E577 HydrophobicContact CE1-CG 3.94Å; Y337-E577 WeakPolarHBondContact CE1-OE1 3.34Å; Y337-E577 VanDerWaalsContact CZ-OE1 3.27Å; Y337-E577 PolarHBondContact OH-OE1 3.35Å
338	F	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.6	174	-61	-105.8	0	0	0	107.9	F329 F336 S373 V395 I397 V437 I530 I575 G576 E577 L578	F329-F338 HydrophobicContact CB-CE2 4.29Å; F329-F338 HydrophobicContact CD1-CE2 4.06Å; F329-F338 HydrophobicContact CD1-CZ 4.21Å; F329-F338 AromaticContact CD2-CE2 3.86Å; F329-F338 HydrophobicContact CD2-CE2 3.86Å; F329-F338 HydrophobicContact CD2-CZ 4.13Å; F329-F338 HydrophobicContact CE1-CE2 4.32Å; F329-F338 HydrophobicContact CE1-CZ 4Å; F329-F338 HydrophobicContact CE2-CE2 4.13Å; F329-F338 AromaticContact CE2-CZ 3.91Å; F329-F338 HydrophobicContact CE2-CZ 3.91Å; F329-F338 AromaticContact CG-CE2 3.81Å; F329-F338 HydrophobicContact CG-CE2 3.81Å; F329-F338 HydrophobicContact CG-CZ 4.27Å; F329-F338 HydrophobicContact CZ-CE2 4.36Å; F329-F338 AromaticContact CZ-CZ 3.86Å; F329-F338 HydrophobicContact CZ-CZ 3.86Å; F336-F338 HydrophobicContact CD1-CD1 4.44Å; F336-F338 AromaticContact CD1-CD2 3.84Å; F336-F338 HydrophobicContact CD1-CD2 3.84Å; F336-F338 HydrophobicContact CD1-CE1 4.32Å; F336-F338 AromaticContact CD1-CE2 3.7Å; F336-F338 HydrophobicContact CD1-CE2 3.7Å; F336-F338 HydrophobicContact CD1-CG 4.2Å; F336-F338 AromaticContact CD1-CZ 3.94Å; F336-F338 HydrophobicContact CD1-CZ 3.94Å; F336-F338 HydrophobicContact CE1-CB 4.38Å; F336-F338 AromaticContact CE1-CD1 3.62Å; F336-F338 HydrophobicContact CE1-CD1 3.62Å; F336-F338 AromaticContact CE1-CD2 3.77Å; F336-F338 HydrophobicContact CE1-CD2 3.77Å; F336-F338 AromaticContact CE1-CE1 3.71Å; F336-F338 HydrophobicContact CE1-CE1 3.71Å; F336-F338 AromaticContact CE1-CE2 3.85Å; F336-F338 HydrophobicContact CE1-CE2 3.85Å; F336-F338 AromaticContact CE1-CG 3.63Å; F336-F338 HydrophobicContact CE1-CG 3.63Å; F336-F338 AromaticContact CE1-CZ 3.82Å; F336-F338 HydrophobicContact CE1-CZ 3.82Å; F338-S373 WeakPolarHBondContact CB-OG 3.34Å; F338-V395 HydrophobicContact CD1-CG1 4.27Å; F338-V395 HydrophobicContact CE1-CG1 3.66Å; F338-V395 HydrophobicContact CZ-CG1 4.42Å; F338-I397 HydrophobicContact CD1-CD1 4.35Å; F338-I397 HydrophobicContact CD1-CG1 4.45Å; F338-I397 HydrophobicContact CE1-CD1 4.22Å; F338-I397 HydrophobicContact CE1-CG1 3.99Å; F338-V437 HydrophobicContact CE1-CG2 3.89Å; F338-V437 HydrophobicContact CZ-CG2 3.87Å; F338-I530 HydrophobicContact CD2-CD1 3.74Å; F338-I530 HydrophobicContact CD2-CG1 4.37Å; F338-I530 HydrophobicContact CE2-CD1 3.81Å; F338-I530 HydrophobicContact CG-CD1 4.18Å; F338-I530 HydrophobicContact CZ-CD1 4.29Å; F338-I575 WeakPolarHBondContact CD2-O 3.07Å; F338-I575 HydrophobicContact CE2-CD1 4.43Å; F338-I575 PolarHBondContact N-O 3.36Å; F338-G576 CarbonylContact O-C 3.54Å; F338-G576 WeakPolarHBondContact O-CA 3.48Å; F338-E577 PolarHBondContact O-N 3.31Å; F338-L578 HydrophobicContact CB-CD2 4.4Å
339	H	97.4	Very high	98.6	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.315	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	95.6	171	48.5	109.4	0	0	0	106.9	L285 Y337 G370 A371 N372	L285-H339 VanDerWaalsContact CD1-CE1 3.48Å; L285-H339 WeakPolarHBondContact CD1-CE1 3.42Å; Y337-H339 HydrophobicContact CD1-CB 4.12Å; Y337-H339 HydrophobicContact CE1-CB 4.27Å; Y337-H339 PolarHBondContact O-CD2 2.82Å; Y337-H339 PolarHBondContact O-N 3.09Å; H339-G370 PolarHBondContact CE1-O 2.96Å; H339-G370 PolarHBondContact ND1-O 3.48Å; H339-G370 VanDerWaalsContact ND1-O 3.13Å; H339-A371 VanDerWaalsContact O-CA 3.3Å; H339-A371 WeakPolarHBondContact O-CA 3.49Å; H339-N372 VanDerWaalsContact CD2-CG 3.45Å; H339-N372 PolarHBondContact CD2-ND2 2.97Å; H339-N372 PolarHBondContact N-OD1 2.97Å; H339-N372 PolarHBondContact NE2-ND2 3.01Å; H339-N372 PolarHBondContact O-N 2.89Å; H339-N372 PolarHBondContact O-OD1 2.96Å
340	G	98.6	Very high	98.6	Very high	9 Å²	9	43.3 Å²	43.3	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-161.5	-160.8	0	0	0	0	0	113.6	S373 E577 L578 I579	G340-S373 WeakPolarHBondContact CA-O 3.26Å; G340-E577 PolarHBondContact N-O 3.21Å; G340-E577 VanDerWaalsContact N-O 3.08Å; G340-L578 WeakPolarHBondContact O-CA 3.37Å; G340-I579 PolarHBondContact O-N 3.23Å
341	V	98.9	Very high	98.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.7	-173.3	-59.7	0	0	0	0	110.1	K343 M366 L369 S373 F374 R375 I579 F582	V341-K343 HydrophobicContact CG2-CD 4.3Å; V341-K343 HydrophobicContact CG2-CG 3.91Å; V341-M366 HydrophobicContact CG2-SD 4.4Å; V341-L369 HydrophobicContact CG1-CD2 3.75Å; V341-S373 PolarHBondContact N-O 2.95Å; V341-F374 HydrophobicContact CG2-CB 3.89Å; V341-F374 WeakPolarHBondContact O-CA 3.37Å; V341-F374 WeakPolarHBondContact O-CB 3.45Å; V341-R375 PolarHBondContact O-N 3.36Å; V341-I579 HydrophobicContact CB-CG2 4.13Å; V341-I579 HydrophobicContact CG1-CG2 3.68Å; V341-F582 HydrophobicContact CB-CB 4.08Å; V341-F582 HydrophobicContact CB-CD2 4.45Å; V341-F582 HydrophobicContact CG1-CD2 4.32Å; V341-F582 HydrophobicContact CG2-CB 4Å; V341-F582 HydrophobicContact CG2-CD2 3.94Å; V341-F582 HydrophobicContact CG2-CG 4.38Å
342	N	98.9	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	157.6	154.2	-62.7	-77.6	0	0	0	109.2	R375 S377 S532 L578 I579 W580 N581 F582	N342-R375 VanDerWaalsContact OD1-CZ 3.29Å; N342-R375 PolarHBondContact OD1-NE 2.9Å; N342-R375 PolarHBondContact OD1-NH2 2.68Å; N342-S377 PolarHBondContact OD1-OG 2.93Å; N342-S532 PolarHBondContact ND2-O 2.75Å; N342-S532 PolarHBondContact OD1-O 2.98Å; N342-L578 PolarHBondContact ND2-O 3.07Å; N342-I579 PolarHBondContact N-O 3.13Å; N342-I579 PolarHBondContact ND2-O 2.63Å; N342-W580 HydrophobicContact CB-CD2 4.42Å; N342-W580 HydrophobicContact CB-CE3 3.3Å; N342-W580 HydrophobicContact CB-CZ3 3.54Å; N342-N581 PolarHBondContact O-OD1 2.92Å; N342-N581 VanDerWaalsContact O-OD1 3.07Å; N342-F582 WeakPolarHBondContact O-CB 3.18Å; N342-F582 PolarHBondContact O-N 2.93Å
343	K	98.6	Very high	98.6	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.043	21%	0.213	C	C	.	.			trans	-134.3	176.4	179.1	-69.9	-173.2	62.1	63.9	0	109.9	V341 D362 M366 F374 S377 Y381 N581 F582	V341-K343 HydrophobicContact CG2-CD 4.3Å; V341-K343 HydrophobicContact CG2-CG 3.91Å; K343-D362 VanDerWaalsContact NZ-CG 3.35Å; K343-D362 IonicContact NZ-OD2 2.74Å; K343-D362 PolarHBondContact NZ-OD2 2.9Å; K343-M366 HydrophobicContact CD-SD 3.93Å; K343-F374 HydrophobicContact CB-CD2 4.47Å; K343-F374 HydrophobicContact CD-CB 4.32Å; K343-F374 HydrophobicContact CD-CD1 4.41Å; K343-F374 HydrophobicContact CD-CD2 4.01Å; K343-F374 HydrophobicContact CD-CE2 4.46Å; K343-F374 HydrophobicContact CD-CG 4Å; K343-F374 HydrophobicContact CG-CB 4.4Å; K343-F374 HydrophobicContact CG-CD2 4.33Å; K343-F374 HydrophobicContact CG-CG 4.46Å; K343-S377 WeakPolarHBondContact O-CB 3.34Å; K343-Y381 HydrophobicContact CB-CE2 3.89Å; K343-Y381 PolarHBondContact O-OH 3.42Å; K343-N581 WeakPolarHBondContact CA-OD1 3.41Å; K343-F582 HydrophobicContact CD-CG 4.42Å; K343-F582 HydrophobicContact CG-CB 3.7Å; K343-F582 HydrophobicContact CG-CG 4.06Å
344	H	98.8	Very high	98.6	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.079	19%	0.193	C	C	.	.			trans	-138.7	152.3	159.9	-90.8	-74.5	0	0	0	109.5	F201 D346 S377 H378 Y379 Y381 W580 F585	F201-H344 AromaticContact CD1-CE1 3.77Å; F201-H344 AromaticContact CG-CE1 3.96Å; H344-D346 VanDerWaalsContact C-N 3.27Å; H344-D346 HydrophobicContact CB-CB 4.02Å; H344-D346 PolarHBondContact O-N 2.96Å; H344-D346 VanDerWaalsContact O-N 3.15Å; H344-S377 PolarHBondContact CE1-O 3.5Å; H344-S377 PolarHBondContact ND1-O 2.99Å; H344-H378 AromaticContact CE1-CD2 3.86Å; H344-Y379 AromaticContact ND1-CE1 3.93Å; H344-Y379 AromaticContact ND1-CZ 3.84Å; H344-Y379 PolarHBondContact ND1-OH 2.98Å; H344-Y381 WeakPolarHBondContact CA-OH 2.91Å; H344-Y381 PolarHBondContact N-OH 2.73Å; H344-W580 AromaticContact CD2-CH2 3.87Å; H344-W580 AromaticContact NE2-CH2 3.3Å; H344-W580 VanDerWaalsContact NE2-CH2 3.3Å; H344-W580 WeakPolarHBondContact NE2-CH2 3.49Å; H344-W580 AromaticContact NE2-CZ2 3.78Å; H344-F585 HydrophobicContact CB-CB 4.38Å; H344-F585 AromaticContact CD2-CD1 3.84Å; H344-F585 AromaticContact CD2-CE1 3.97Å; H344-F585 AromaticContact CD2-CG 3.88Å
345	E	98.8	Very high	98.6	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.075	18%	0.176	C	C	.	.	S	Bend	trans	-75.9	86	156.6	-65.4	-179	121.7	0	0	107.3	R209 K352 Y379 Y381 A382 I385	R209-E345 IonicContact CZ-OE1 3.94Å; R209-E345 IonicContact CZ-OE2 3.56Å; R209-E345 IonicContact NE-OE1 2.87Å; R209-E345 IonicContact NE-OE2 3.55Å; R209-E345 IonicContact NH2-OE1 3.97Å; R209-E345 IonicContact NH2-OE2 3.17Å; R209-E345 PolarHBondContact NH2-OE2 2.68Å; E345-K352 WeakPolarHBondContact O-CA 3.28Å; E345-K352 WeakPolarHBondContact O-CG 3.26Å; E345-Y379 HydrophobicContact CB-CE2 4.04Å; E345-Y379 HydrophobicContact CG-CE2 4.21Å; E345-Y379 PolarHBondContact O-OH 2.77Å; E345-Y381 HydrophobicContact CG-CD1 3.84Å; E345-Y381 HydrophobicContact CG-CD2 4.3Å; E345-Y381 HydrophobicContact CG-CE1 4.25Å; E345-Y381 HydrophobicContact CG-CG 3.9Å; E345-A382 WeakPolarHBondContact OE1-CB 3.41Å; E345-A382 PolarHBondContact OE1-N 2.66Å; E345-I385 HydrophobicContact CG-CD1 4.37Å
346	D	98.9	Very high	98.6	Very high	44 Å²	44	36.5 Å²	36.5	24%	0.235	18%	0.178	C	C	.	.			trans	-144.2	139.1	-179.2	-172.3	-78	0	0	0	109.6	H344 F585 M586	H344-D346 VanDerWaalsContact C-N 3.27Å; H344-D346 HydrophobicContact CB-CB 4.02Å; H344-D346 PolarHBondContact O-N 2.96Å; H344-D346 VanDerWaalsContact O-N 3.15Å; D346-F585 HydrophobicContact CB-CB 3.74Å; D346-M586 PolarHBondContact OD2-N 3.21Å; D346-M586 VanDerWaalsContact OD2-N 3.11Å
347	A	98.8	Very high	98.6	Very high	18 Å²	18	40.5 Å²	40.5	15%	0.149	21%	0.205	C	C	.	.			trans	-165.3	153	176	0	0	0	0	0	111.3	I349 R350 G351 L358	A347-I349 PolarHBondContact O-N 2.77Å; A347-R350 HydrophobicContact CB-CG 3.77Å; A347-G351 PolarHBondContact N-O 2.93Å; A347-G351 WeakPolarHBondContact O-CA 3.39Å; A347-G351 PolarHBondContact O-N 3.16Å; A347-L358 HydrophobicContact CB-CD1 3.49Å; A347-L358 VanDerWaalsContact CB-CD1 3.49Å
348	D	98.8	Very high	98.6	Very high	144 Å²	144	41.7 Å²	41.7	77%	0.77	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.5	134.2	174	-70.7	-33	0	0	0	112.4	R350	D348-R350 PolarHBondContact O-N 2.57Å
349	I	98.7	Very high	98.6	Very high	109 Å²	109	42.3 Å²	42.3	56%	0.559	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-46.8	177	-51.7	-56.4	0	0	0	114.5	I80 A347	I80-I349 HydrophobicContact CD1-CG2 3.92Å; I80-I349 WeakPolarHBondContact CD1-O 3.49Å; A347-I349 PolarHBondContact O-N 2.77Å
350	R	98.6	Very high	98.7	Very high	84 Å²	84	42.1 Å²	42.1	32%	0.317	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.5	-175.7	72.7	-162	75.6	-137.4	8.8	113.5	S76 A347 D348 K352 G353 D355	S76-R350 WeakPolarHBondContact CB-O 3.4Å; S76-R350 PolarHBondContact N-O 3.34Å; S76-R350 PolarHBondContact OG-O 2.82Å; S76-R350 VanDerWaalsContact OG-O 3.06Å; A347-R350 HydrophobicContact CB-CG 3.77Å; D348-R350 PolarHBondContact O-N 2.57Å; R350-K352 PolarHBondContact O-N 2.76Å; R350-G353 WeakPolarHBondContact CD-O 3.41Å; R350-G353 PolarHBondContact O-N 3.45Å; R350-D355 IonicContact CZ-OD1 4Å; R350-D355 VanDerWaalsContact NH1-CG 3.27Å; R350-D355 IonicContact NH1-OD1 2.94Å; R350-D355 PolarHBondContact NH1-OD1 2.9Å; R350-D355 IonicContact NH1-OD2 3.95Å
351	G	98.7	Very high	98.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-122	-171.3	0	0	0	0	0	110.3	A347 G353	A347-G351 PolarHBondContact N-O 2.93Å; A347-G351 WeakPolarHBondContact O-CA 3.39Å; A347-G351 PolarHBondContact O-N 3.16Å; G351-G353 PolarHBondContact O-N 3.33Å; G351-G353 VanDerWaalsContact O-N 3.14Å
352	K	98.6	Very high	98.7	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.022	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	2.7	175.7	-72.1	174.2	168.1	48.7	0	116.1	S76 F202 Y204 H208 E345 R350 L354 Y379	S76-K352 PolarHBondContact OG-N 2.64Å; F202-K352 PolarHBondContact O-NZ 3.32Å; Y204-K352 HydrophobicContact CD2-CG 4.29Å; H208-K352 HydrophobicContact CB-CB 4.18Å; E345-K352 WeakPolarHBondContact O-CA 3.28Å; E345-K352 WeakPolarHBondContact O-CG 3.26Å; R350-K352 PolarHBondContact O-N 2.76Å; K352-L354 PolarHBondContact O-N 3.32Å; K352-Y379 WeakPolarHBondContact CE-OH 3.48Å; K352-Y379 PolarHBondContact NZ-OH 2.74Å
353	G	98.6	Very high	98.7	Very high	9 Å²	9	48.9 Å²	48.9	9%	0.093	25%	0.249	C	C	.	.			trans	-66.2	127.4	-175.4	0	0	0	0	0	113.8	R350 G351 D355	R350-G353 WeakPolarHBondContact CD-O 3.41Å; R350-G353 PolarHBondContact O-N 3.45Å; G351-G353 PolarHBondContact O-N 3.33Å; G351-G353 VanDerWaalsContact O-N 3.14Å; G353-D355 PolarHBondContact O-N 3.2Å
354	L	98.4	Very high	98.7	Very high	21 Å²	21	53 Å²	53	11%	0.11	27%	0.271	C	S	.	.			trans	-58.1	131.4	177.3	-173.4	73.5	0	0	0	112.7	P74 H208 P210 K352 I359 A382 E384	P74-L354 HydrophobicContact CB-CB 4.32Å; P74-L354 HydrophobicContact CG-CB 4.16Å; H208-L354 PolarHBondContact O-N 2.9Å; P210-L354 HydrophobicContact CG-CD2 3.76Å; K352-L354 PolarHBondContact O-N 3.32Å; L354-I359 HydrophobicContact CD1-CD1 3.37Å; L354-I359 HydrophobicContact CD1-CG1 4.48Å; L354-I359 HydrophobicContact CG-CD1 4.14Å; L354-A382 HydrophobicContact CD1-CB 3.49Å; L354-A382 VanDerWaalsContact CD1-CB 3.49Å; L354-E384 HydrophobicContact CD2-CG 4.32Å; L354-E384 WeakPolarHBondContact CD2-OE1 3.45Å
355	D	98.4	Very high	98.7	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.182	28%	0.281	C	S	.	.			trans	-145.3	116	179.3	-177.3	74.5	0	0	0	112.4	R350 G353 P357 L358 I359	R350-D355 IonicContact CZ-OD1 4Å; R350-D355 VanDerWaalsContact NH1-CG 3.27Å; R350-D355 IonicContact NH1-OD1 2.94Å; R350-D355 PolarHBondContact NH1-OD1 2.9Å; R350-D355 IonicContact NH1-OD2 3.95Å; G353-D355 PolarHBondContact O-N 3.2Å; D355-P357 WeakPolarHBondContact OD2-CB 3.5Å; D355-P357 WeakPolarHBondContact OD2-CD 3.14Å; D355-L358 HydrophobicContact CB-CB 4.29Å; D355-L358 HydrophobicContact CB-CD1 4.18Å; D355-L358 HydrophobicContact CB-CG 4.47Å; D355-L358 PolarHBondContact O-N 2.86Å; D355-L358 VanDerWaalsContact OD2-CG 3.31Å; D355-L358 WeakPolarHBondContact OD2-CG 3.48Å; D355-L358 PolarHBondContact OD2-N 2.99Å; D355-I359 VanDerWaalsContact O-CG1 3.29Å; D355-I359 WeakPolarHBondContact O-CG1 3.49Å; D355-I359 PolarHBondContact O-N 2.87Å
356	W	98.7	Very high	98.7	Very high	128 Å²	128	54 Å²	54	49%	0.485	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-43.7	-178.9	-80.5	113.5	0	0	0	114.6	L358 I359 V360 E384 M388	W356-L358 VanDerWaalsContact C-N 3.33Å; W356-L358 PolarHBondContact O-N 2.94Å; W356-I359 HydrophobicContact CE3-CB 4.45Å; W356-I359 HydrophobicContact CE3-CD1 4.23Å; W356-I359 HydrophobicContact CE3-CG2 4.36Å; W356-I359 HydrophobicContact CZ3-CG2 4.37Å; W356-I359 PolarHBondContact O-N 2.82Å; W356-V360 WeakPolarHBondContact O-CG2 3.42Å; W356-V360 PolarHBondContact O-N 2.84Å; W356-E384 HydrophobicContact CH2-CB 3.67Å; W356-E384 HydrophobicContact CH2-CG 3.92Å; W356-E384 HydrophobicContact CZ2-CB 3.91Å; W356-E384 HydrophobicContact CZ2-CG 3.66Å; W356-E384 HydrophobicContact CZ3-CB 4.41Å; W356-M388 HydrophobicContact CZ3-CG 4.17Å; W356-M388 HydrophobicContact CZ3-SD 4.45Å
357	P	98.9	Very high	98.7	Very high	92 Å²	92	54.9 Å²	54.9	60%	0.597	28%	0.279	S	S	*	.	H	α-helix	trans	-52.4	-47.8	173.8	-28.3	33.6	0	0	0	113.4	D355 K361	D355-P357 WeakPolarHBondContact OD2-CB 3.5Å; D355-P357 WeakPolarHBondContact OD2-CD 3.14Å; P357-K361 WeakPolarHBondContact O-CB 3.46Å; P357-K361 PolarHBondContact O-N 2.65Å
358	L	98.8	Very high	98.7	Very high	66 Å²	66	64.1 Å²	64.1	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-43.5	177.7	-72.3	172.7	0	0	0	112.5	A347 D355 W356 V360 K361 D362	A347-L358 HydrophobicContact CB-CD1 3.49Å; A347-L358 VanDerWaalsContact CB-CD1 3.49Å; D355-L358 HydrophobicContact CB-CB 4.29Å; D355-L358 HydrophobicContact CB-CD1 4.18Å; D355-L358 HydrophobicContact CB-CG 4.47Å; D355-L358 PolarHBondContact O-N 2.86Å; D355-L358 VanDerWaalsContact OD2-CG 3.31Å; D355-L358 WeakPolarHBondContact OD2-CG 3.48Å; D355-L358 PolarHBondContact OD2-N 2.99Å; W356-L358 VanDerWaalsContact C-N 3.33Å; W356-L358 PolarHBondContact O-N 2.94Å; L358-V360 VanDerWaalsContact C-N 3.34Å; L358-V360 PolarHBondContact O-N 2.68Å; L358-K361 WeakPolarHBondContact O-CB 3.4Å; L358-K361 PolarHBondContact O-N 2.95Å; L358-K361 VanDerWaalsContact O-N 3.16Å; L358-D362 WeakPolarHBondContact O-CB 3.45Å; L358-D362 PolarHBondContact O-N 3.49Å
359	I	98.8	Very high	98.7	Very high	12 Å²	12	62 Å²	62	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-55.4	-51.2	175	-67.4	165.7	0	0	0	110.3	L354 D355 W356 K361 D362 F363 I385 M388	L354-I359 HydrophobicContact CD1-CD1 3.37Å; L354-I359 HydrophobicContact CD1-CG1 4.48Å; L354-I359 HydrophobicContact CG-CD1 4.14Å; D355-I359 VanDerWaalsContact O-CG1 3.29Å; D355-I359 WeakPolarHBondContact O-CG1 3.49Å; D355-I359 PolarHBondContact O-N 2.87Å; W356-I359 HydrophobicContact CE3-CB 4.45Å; W356-I359 HydrophobicContact CE3-CD1 4.23Å; W356-I359 HydrophobicContact CE3-CG2 4.36Å; W356-I359 HydrophobicContact CZ3-CG2 4.37Å; W356-I359 PolarHBondContact O-N 2.82Å; I359-K361 VanDerWaalsContact C-N 3.32Å; I359-K361 PolarHBondContact O-N 2.81Å; I359-D362 PolarHBondContact O-N 3.26Å; I359-F363 HydrophobicContact CG2-CD2 3.95Å; I359-F363 HydrophobicContact CG2-CE2 3.97Å; I359-F363 VanDerWaalsContact O-CD2 3.29Å; I359-F363 WeakPolarHBondContact O-CD2 3.49Å; I359-F363 PolarHBondContact O-N 2.84Å; I359-I385 HydrophobicContact CD1-CG1 4.04Å; I359-I385 HydrophobicContact CG1-CD1 4.41Å; I359-I385 HydrophobicContact CG1-CG1 4.05Å; I359-I385 HydrophobicContact CG2-CG1 4.4Å; I359-M388 HydrophobicContact CG2-CG 4.11Å
360	V	98.9	Very high	98.7	Very high	64 Å²	64	57.7 Å²	57.7	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-39.4	-179.4	173.3	0	0	0	0	111.3	W356 L358 D362 F363 N364 M388	W356-V360 WeakPolarHBondContact O-CG2 3.42Å; W356-V360 PolarHBondContact O-N 2.84Å; L358-V360 VanDerWaalsContact C-N 3.34Å; L358-V360 PolarHBondContact O-N 2.68Å; V360-D362 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 3.08Å; V360-F363 PolarHBondContact O-N 3.31Å; V360-N364 VanDerWaalsContact O-CG 3.27Å; V360-N364 PolarHBondContact O-N 3.33Å; V360-N364 PolarHBondContact O-ND2 3.4Å; V360-N364 VanDerWaalsContact O-ND2 3.07Å; V360-M388 HydrophobicContact CG2-CE 4.4Å
361	K	98.9	Very high	98.7	Very high	110 Å²	110	53.8 Å²	53.8	48%	0.478	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-43.7	174.9	176.3	56.7	177.4	171.7	0	111.4	P357 L358 I359 N364 L365	P357-K361 WeakPolarHBondContact O-CB 3.46Å; P357-K361 PolarHBondContact O-N 2.65Å; L358-K361 WeakPolarHBondContact O-CB 3.4Å; L358-K361 PolarHBondContact O-N 2.95Å; L358-K361 VanDerWaalsContact O-N 3.16Å; I359-K361 VanDerWaalsContact C-N 3.32Å; I359-K361 PolarHBondContact O-N 2.81Å; K361-N364 WeakPolarHBondContact O-CB 3.26Å; K361-N364 PolarHBondContact O-N 3.46Å; K361-L365 HydrophobicContact CD-CD1 4.28Å; K361-L365 HydrophobicContact CD-CG 4.22Å; K361-L365 HydrophobicContact CG-CD1 4.24Å; K361-L365 WeakPolarHBondContact O-CG 3.37Å; K361-L365 PolarHBondContact O-N 3.21Å
362	D	98.9	Very high	98.7	Very high	38 Å²	38	53.9 Å²	53.9	20%	0.203	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-44.9	-179.6	-77.8	6.1	0	0	0	112.3	K343 L358 I359 V360 N364 L365 M366 F582	K343-D362 VanDerWaalsContact NZ-CG 3.35Å; K343-D362 IonicContact NZ-OD2 2.74Å; K343-D362 PolarHBondContact NZ-OD2 2.9Å; L358-D362 WeakPolarHBondContact O-CB 3.45Å; L358-D362 PolarHBondContact O-N 3.49Å; I359-D362 PolarHBondContact O-N 3.26Å; V360-D362 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 3.08Å; D362-N364 VanDerWaalsContact C-N 3.29Å; D362-N364 PolarHBondContact O-N 3.11Å; D362-L365 PolarHBondContact O-N 3.26Å; D362-M366 WeakPolarHBondContact O-CB 3.33Å; D362-M366 WeakPolarHBondContact O-CG 3.32Å; D362-M366 PolarHBondContact O-N 2.92Å; D362-F582 HydrophobicContact CB-CE1 4.14Å; D362-F582 HydrophobicContact CB-CZ 4.02Å; D362-F582 VanDerWaalsContact CG-CE1 3.5Å; D362-F582 VanDerWaalsContact OD1-CE1 3.29Å; D362-F582 WeakPolarHBondContact OD1-CE1 3.49Å
363	F	98.8	Very high	98.7	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.022	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-34.8	175.3	-83.7	-88.7	0	0	0	112.6	I359 V360 M366 K367 I385 M388 H392 I394	I359-F363 HydrophobicContact CG2-CD2 3.95Å; I359-F363 HydrophobicContact CG2-CE2 3.97Å; I359-F363 VanDerWaalsContact O-CD2 3.29Å; I359-F363 WeakPolarHBondContact O-CD2 3.49Å; I359-F363 PolarHBondContact O-N 2.84Å; V360-F363 PolarHBondContact O-N 3.31Å; F363-M366 HydrophobicContact CB-CE 4.37Å; F363-M366 HydrophobicContact CD1-CE 3.61Å; F363-M366 HydrophobicContact CD2-CE 4.01Å; F363-M366 HydrophobicContact CE1-CE 3.74Å; F363-M366 HydrophobicContact CE2-CE 4.12Å; F363-M366 HydrophobicContact CG-CE 3.75Å; F363-M366 HydrophobicContact CZ-CE 3.98Å; F363-K367 WeakPolarHBondContact O-CB 3.37Å; F363-K367 WeakPolarHBondContact O-CG 3.45Å; F363-K367 PolarHBondContact O-N 3.44Å; F363-K367 VanDerWaalsContact O-N 3.11Å; F363-I385 HydrophobicContact CE2-CG2 4.19Å; F363-I385 HydrophobicContact CZ-CG2 4.25Å; F363-M388 HydrophobicContact CB-CE 4.24Å; F363-M388 HydrophobicContact CD1-CB 4.34Å; F363-M388 HydrophobicContact CD2-CB 3.91Å; F363-M388 HydrophobicContact CD2-CE 3.95Å; F363-M388 HydrophobicContact CD2-CG 4.45Å; F363-M388 HydrophobicContact CE1-CB 3.82Å; F363-M388 HydrophobicContact CE2-CB 3.36Å; F363-M388 HydrophobicContact CE2-CG 4.16Å; F363-M388 HydrophobicContact CG-CB 4.39Å; F363-M388 HydrophobicContact CG-CE 4.04Å; F363-M388 HydrophobicContact CZ-CB 3.3Å; F363-H392 HydrophobicContact CD1-CB 4.14Å; F363-H392 AromaticContact CD1-CD2 3.49Å; F363-H392 VanDerWaalsContact CD1-CD2 3.49Å; F363-H392 WeakPolarHBondContact CD1-CD2 3.41Å; F363-H392 HydrophobicContact CE1-CB 4.43Å; F363-H392 AromaticContact CG-CD2 3.93Å; F363-I394 HydrophobicContact CD1-CG1 4.12Å; F363-I394 HydrophobicContact CE1-CB 4.31Å; F363-I394 HydrophobicContact CE1-CG1 3.99Å
364	N	98.9	Very high	98.7	Very high	96 Å²	96	53.2 Å²	53.2	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-41.5	173.4	-72.8	-34.7	0	0	0	111.7	V360 K361 D362 W368	V360-N364 VanDerWaalsContact O-CG 3.27Å; V360-N364 PolarHBondContact O-N 3.33Å; V360-N364 PolarHBondContact O-ND2 3.4Å; V360-N364 VanDerWaalsContact O-ND2 3.07Å; K361-N364 WeakPolarHBondContact O-CB 3.26Å; K361-N364 PolarHBondContact O-N 3.46Å; D362-N364 VanDerWaalsContact C-N 3.29Å; D362-N364 PolarHBondContact O-N 3.11Å; N364-W368 VanDerWaalsContact O-CB 3.32Å; N364-W368 WeakPolarHBondContact O-CB 3.48Å; N364-W368 PolarHBondContact O-N 3.39Å
365	L	98.9	Very high	98.8	Very high	54 Å²	54	52.2 Å²	52.2	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-67.7	-43.9	176.5	-77.3	175.8	0	0	0	112.4	K361 D362 K367 W368 L369 F582	K361-L365 HydrophobicContact CD-CD1 4.28Å; K361-L365 HydrophobicContact CD-CG 4.22Å; K361-L365 HydrophobicContact CG-CD1 4.24Å; K361-L365 WeakPolarHBondContact O-CG 3.37Å; K361-L365 PolarHBondContact O-N 3.21Å; D362-L365 PolarHBondContact O-N 3.26Å; L365-K367 VanDerWaalsContact C-N 3.29Å; L365-K367 PolarHBondContact O-N 3.21Å; L365-W368 WeakPolarHBondContact O-CB 3.33Å; L365-W368 PolarHBondContact O-N 2.96Å; L365-W368 VanDerWaalsContact O-N 3.16Å; L365-L369 WeakPolarHBondContact O-CB 3.33Å; L365-L369 PolarHBondContact O-N 2.56Å; L365-F582 HydrophobicContact CB-CE2 3.93Å; L365-F582 HydrophobicContact CB-CZ 3.69Å; L365-F582 HydrophobicContact CD1-CE1 4.39Å; L365-F582 HydrophobicContact CD1-CZ 3.8Å; L365-F582 HydrophobicContact CG-CZ 4.42Å
366	M	98.7	Very high	98.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-44	175.3	-75	-169.9	-68.9	0	0	111	V341 K343 D362 F363 L369 G370 A371 F374 F582	V341-M366 HydrophobicContact CG2-SD 4.4Å; K343-M366 HydrophobicContact CD-SD 3.93Å; D362-M366 WeakPolarHBondContact O-CB 3.33Å; D362-M366 WeakPolarHBondContact O-CG 3.32Å; D362-M366 PolarHBondContact O-N 2.92Å; F363-M366 HydrophobicContact CB-CE 4.37Å; F363-M366 HydrophobicContact CD1-CE 3.61Å; F363-M366 HydrophobicContact CD2-CE 4.01Å; F363-M366 HydrophobicContact CE1-CE 3.74Å; F363-M366 HydrophobicContact CE2-CE 4.12Å; F363-M366 HydrophobicContact CG-CE 3.75Å; F363-M366 HydrophobicContact CZ-CE 3.98Å; M366-L369 PolarHBondContact O-N 2.89Å; M366-G370 PolarHBondContact O-N 3.14Å; M366-G370 VanDerWaalsContact O-N 3.1Å; M366-A371 HydrophobicContact CB-CB 4.19Å; M366-A371 WeakPolarHBondContact O-CB 3.39Å; M366-A371 PolarHBondContact O-N 3.19Å; M366-F374 HydrophobicContact CE-CD1 4.36Å; M366-F374 HydrophobicContact CE-CE1 4.36Å; M366-F374 HydrophobicContact SD-CD1 3.84Å; M366-F374 HydrophobicContact SD-CE1 4.41Å; M366-F374 HydrophobicContact SD-CG 4.47Å; M366-F582 HydrophobicContact CG-CD2 4.15Å; M366-F582 HydrophobicContact CG-CE2 3.7Å
367	K	98.5	Very high	98.7	Very high	62 Å²	62	44.5 Å²	44.5	27%	0.27	23%	0.225	S	C	.	.	H	α-helix	trans	-67.1	-40	175.1	-74.6	-178.1	170.9	-170.9	0	113.2	Y284 F363 L365 L369 G370 H392	Y284-K367 HydrophobicContact CD1-CG 4.43Å; Y284-K367 HydrophobicContact CE1-CB 4.36Å; Y284-K367 HydrophobicContact CE1-CG 4.12Å; Y284-K367 PolarHBondContact OH-O 3.17Å; F363-K367 WeakPolarHBondContact O-CB 3.37Å; F363-K367 WeakPolarHBondContact O-CG 3.45Å; F363-K367 PolarHBondContact O-N 3.44Å; F363-K367 VanDerWaalsContact O-N 3.11Å; L365-K367 VanDerWaalsContact C-N 3.29Å; L365-K367 PolarHBondContact O-N 3.21Å; K367-L369 VanDerWaalsContact C-N 3.29Å; K367-L369 PolarHBondContact O-N 3.25Å; K367-G370 PolarHBondContact O-N 2.69Å; K367-G370 VanDerWaalsContact O-N 3.09Å; K367-H392 PolarHBondContact NZ-ND1 2.82Å
368	W	98.8	Very high	98.7	Very high	212 Å²	212	40.5 Å²	40.5	80%	0.803	20%	0.198	S	C	*	.	H	α-helix	trans	-60.7	-39.8	175.3	171.8	85	0	0	0	111.9	N364 L365 G370	N364-W368 VanDerWaalsContact O-CB 3.32Å; N364-W368 WeakPolarHBondContact O-CB 3.48Å; N364-W368 PolarHBondContact O-N 3.39Å; L365-W368 WeakPolarHBondContact O-CB 3.33Å; L365-W368 PolarHBondContact O-N 2.96Å; L365-W368 VanDerWaalsContact O-N 3.16Å; W368-G370 PolarHBondContact O-N 2.8Å
369	L	98.7	Very high	98.7	Very high	100 Å²	100	37.4 Å²	37.4	52%	0.524	18%	0.182	S	C	.	.	H	α-helix	trans	-69.2	-22.8	174.8	-178	60.1	0	0	0	112.6	V341 L365 M366 K367 A371	V341-L369 HydrophobicContact CG1-CD2 3.75Å; L365-L369 WeakPolarHBondContact O-CB 3.33Å; L365-L369 PolarHBondContact O-N 2.56Å; M366-L369 PolarHBondContact O-N 2.89Å; K367-L369 VanDerWaalsContact C-N 3.29Å; K367-L369 PolarHBondContact O-N 3.25Å; L369-A371 HydrophobicContact CD2-CB 4.3Å
370	G	98.7	Very high	98.7	Very high	19 Å²	19	36.9 Å²	36.9	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	22.8	-169.2	0	0	0	0	0	113	L285 H339 M366 K367 W368 N372	L285-G370 VanDerWaalsContact CD1-O 3.3Å; L285-G370 WeakPolarHBondContact CD1-O 3.39Å; H339-G370 PolarHBondContact CE1-O 2.96Å; H339-G370 PolarHBondContact ND1-O 3.48Å; H339-G370 VanDerWaalsContact ND1-O 3.13Å; M366-G370 PolarHBondContact O-N 3.14Å; M366-G370 VanDerWaalsContact O-N 3.1Å; K367-G370 PolarHBondContact O-N 2.69Å; K367-G370 VanDerWaalsContact O-N 3.09Å; W368-G370 PolarHBondContact O-N 2.8Å; G370-N372 PolarHBondContact O-N 3.01Å
371	A	98.8	Very high	98.7	Very high	2 Å²	2	34 Å²	34	2%	0.017	16%	0.161	C	C	.	.			trans	-71.6	124.6	174.1	0	0	0	0	0	110	H339 M366 L369 I394	H339-A371 VanDerWaalsContact O-CA 3.3Å; H339-A371 WeakPolarHBondContact O-CA 3.49Å; M366-A371 HydrophobicContact CB-CB 4.19Å; M366-A371 WeakPolarHBondContact O-CB 3.39Å; M366-A371 PolarHBondContact O-N 3.19Å; L369-A371 HydrophobicContact CD2-CB 4.3Å; A371-I394 WeakPolarHBondContact O-CD1 3.25Å
372	N	98.8	Very high	98.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	14%	0.138	C	C	.	.			trans	-102.5	-6	178.2	74.5	-8.4	0	0	0	113.2	L285 F336 Y337 H339 G370 V395	L285-N372 HydrophobicContact CD1-CB 4.49Å; F336-N372 WeakPolarHBondContact CE2-ND2 3.46Å; F336-N372 WeakPolarHBondContact CZ-ND2 3.47Å; Y337-N372 PolarHBondContact O-ND2 2.71Å; H339-N372 VanDerWaalsContact CD2-CG 3.45Å; H339-N372 PolarHBondContact CD2-ND2 2.97Å; H339-N372 PolarHBondContact N-OD1 2.97Å; H339-N372 PolarHBondContact NE2-ND2 3.01Å; H339-N372 PolarHBondContact O-N 2.89Å; H339-N372 PolarHBondContact O-OD1 2.96Å; G370-N372 PolarHBondContact O-N 3.01Å; N372-V395 PolarHBondContact O-N 3.41Å
373	S	98.9	Very high	98.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159	-177.8	61.3	0	0	0	0	113.2	F338 G340 V341 V395	F338-S373 WeakPolarHBondContact CB-OG 3.34Å; G340-S373 WeakPolarHBondContact CA-O 3.26Å; V341-S373 PolarHBondContact N-O 2.95Å; S373-V395 CarbonylContact C-O 3.58Å; S373-V395 WeakPolarHBondContact CA-O 3.37Å; S373-V395 WeakPolarHBondContact CB-O 3Å
374	F	98.6	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	166.9	159.7	71	-87.6	0	0	0	112.1	V341 K343 M366 T376 Y381 I385 C389 I394 V395 V396 I397	V341-F374 HydrophobicContact CG2-CB 3.89Å; V341-F374 WeakPolarHBondContact O-CA 3.37Å; V341-F374 WeakPolarHBondContact O-CB 3.45Å; K343-F374 HydrophobicContact CB-CD2 4.47Å; K343-F374 HydrophobicContact CD-CB 4.32Å; K343-F374 HydrophobicContact CD-CD1 4.41Å; K343-F374 HydrophobicContact CD-CD2 4.01Å; K343-F374 HydrophobicContact CD-CE2 4.46Å; K343-F374 HydrophobicContact CD-CG 4Å; K343-F374 HydrophobicContact CG-CB 4.4Å; K343-F374 HydrophobicContact CG-CD2 4.33Å; K343-F374 HydrophobicContact CG-CG 4.46Å; M366-F374 HydrophobicContact CE-CD1 4.36Å; M366-F374 HydrophobicContact CE-CE1 4.36Å; M366-F374 HydrophobicContact SD-CD1 3.84Å; M366-F374 HydrophobicContact SD-CE1 4.41Å; M366-F374 HydrophobicContact SD-CG 4.47Å; F374-T376 HydrophobicContact CE2-CG2 3.85Å; F374-Y381 HydrophobicContact CD2-CE2 4.37Å; F374-Y381 AromaticContact CE2-CD2 3.92Å; F374-Y381 HydrophobicContact CE2-CD2 3.92Å; F374-Y381 AromaticContact CE2-CE2 3.86Å; F374-Y381 HydrophobicContact CE2-CE2 3.86Å; F374-I385 HydrophobicContact CZ-CG2 3.9Å; F374-C389 WeakPolarHBondContact CE1-SG 3.45Å; F374-C389 VanDerWaalsContact CZ-SG 3.52Å; F374-I394 HydrophobicContact CD1-CG2 3.67Å; F374-I394 HydrophobicContact CE1-CG2 3.96Å; F374-V395 PolarHBondContact N-O 3.43Å; F374-V396 HydrophobicContact CE1-CG2 3.98Å; F374-V396 HydrophobicContact CZ-CG2 3.97Å; F374-V396 WeakPolarHBondContact O-CA 3.27Å; F374-I397 PolarHBondContact O-N 2.94Å; F374-I397 VanDerWaalsContact O-N 3.08Å
375	R	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136	171.5	-179.5	-178.8	64.3	140.7	-1.8	110.1	V341 N342 S377 I397 E399 N443 E533 L578	V341-R375 PolarHBondContact O-N 3.36Å; N342-R375 VanDerWaalsContact OD1-CZ 3.29Å; N342-R375 PolarHBondContact OD1-NE 2.9Å; N342-R375 PolarHBondContact OD1-NH2 2.68Å; R375-S377 PolarHBondContact NE-OG 2.99Å; R375-S377 VanDerWaalsContact NE-OG 3.11Å; R375-S377 PolarHBondContact NH2-OG 3.43Å; R375-S377 PolarHBondContact O-N 3.01Å; R375-S377 PolarHBondContact O-OG 2.76Å; R375-I397 WeakPolarHBondContact CA-O 3.44Å; R375-I397 HydrophobicContact CB-CB 4.14Å; R375-I397 HydrophobicContact CG-CB 4.08Å; R375-I397 HydrophobicContact CG-CG2 4.15Å; R375-E399 WeakPolarHBondContact CD-OE2 3.42Å; R375-E399 HydrophobicContact CG-CB 4.45Å; R375-E399 IonicContact NH1-OE1 3.6Å; R375-E399 IonicContact NH1-OE2 3.68Å; R375-E399 PolarHBondContact NH1-OE2 3.06Å; R375-N443 PolarHBondContact NH1-OD1 3.38Å; R375-E533 IonicContact CZ-OE1 3.78Å; R375-E533 IonicContact NH1-OE1 3.32Å; R375-E533 VanDerWaalsContact NH2-CD 3.35Å; R375-E533 VanDerWaalsContact NH2-CG 3.32Å; R375-E533 IonicContact NH2-OE1 3.24Å; R375-E533 PolarHBondContact NH2-OE1 3.38Å; R375-L578 HydrophobicContact CB-CD1 4.06Å
376	T	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.			trans	-75.4	63.7	178.6	59.3	0	0	0	0	111.3	F374 H378 Y379 Y381 V396 I397 E399	F374-T376 HydrophobicContact CE2-CG2 3.85Å; T376-H378 PolarHBondContact O-N 3.46Å; T376-Y379 WeakPolarHBondContact CB-O 3.22Å; T376-Y379 CarbonylContact O-C 3.55Å; T376-Y379 PolarHBondContact O-N 2.85Å; T376-Y381 HydrophobicContact CG2-CD1 4.24Å; T376-Y381 HydrophobicContact CG2-CD2 3.95Å; T376-Y381 HydrophobicContact CG2-CE2 4.32Å; T376-Y381 HydrophobicContact CG2-CG 3.88Å; T376-V396 HydrophobicContact CG2-CG1 3.77Å; T376-I397 PolarHBondContact N-O 2.94Å; T376-I397 VanDerWaalsContact N-O 3.11Å; T376-E399 PolarHBondContact OG1-N 2.67Å
377	S	97.8	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	126.4	-175.8	-43.4	0	0	0	0	109.1	N342 K343 H344 R375 Y381	N342-S377 PolarHBondContact OD1-OG 2.93Å; K343-S377 WeakPolarHBondContact O-CB 3.34Å; H344-S377 PolarHBondContact CE1-O 3.5Å; H344-S377 PolarHBondContact ND1-O 2.99Å; R375-S377 PolarHBondContact NE-OG 2.99Å; R375-S377 VanDerWaalsContact NE-OG 3.11Å; R375-S377 PolarHBondContact NH2-OG 3.43Å; R375-S377 PolarHBondContact O-N 3.01Å; R375-S377 PolarHBondContact O-OG 2.76Å; S377-Y381 PolarHBondContact N-OH 2.88Å; S377-Y381 VanDerWaalsContact N-OH 3.11Å; S377-Y381 WeakPolarHBondContact O-CE1 3.23Å; S377-Y381 PolarHBondContact O-OH 2.88Å
378	H	97.8	Very high	98.7	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.037	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	cis	-120	49.9	-11.7	-64.4	-65.7	0	0	0	109.8	F201 H344 T376 E399 P401 V403 N443 E533 W580	F201-H378 HydrophobicContact CE1-CB 4.07Å; F201-H378 AromaticContact CE1-CD2 3.95Å; H344-H378 AromaticContact CE1-CD2 3.86Å; T376-H378 PolarHBondContact O-N 3.46Å; H378-E399 WeakPolarHBondContact CA-OE1 3.47Å; H378-E399 IonicContact CE1-OE1 2.71Å; H378-E399 IonicContact CG-OE1 2.88Å; H378-E399 IonicContact ND1-OE1 3.25Å; H378-E399 PolarHBondContact ND1-OE1 2.95Å; H378-P401 VanDerWaalsContact O-CA 3.29Å; H378-P401 WeakPolarHBondContact O-CA 3.17Å; H378-V403 HydrophobicContact CB-CB 3.88Å; H378-V403 HydrophobicContact CB-CG1 3.75Å; H378-V403 HydrophobicContact CB-CG2 4.16Å; H378-N443 PolarHBondContact CE1-ND2 2.92Å; H378-N443 VanDerWaalsContact CE1-ND2 3.31Å; H378-N443 PolarHBondContact CE1-OD1 2.9Å; H378-E533 IonicContact CE1-OE1 3.86Å; H378-W580 AromaticContact CE1-CH2 3.94Å; H378-W580 AromaticContact NE2-CH2 3.3Å; H378-W580 VanDerWaalsContact NE2-CH2 3.3Å; H378-W580 WeakPolarHBondContact NE2-CH2 3.4Å; H378-W580 AromaticContact NE2-CZ3 3.82Å
379	Y	98.8	Very high	98.7	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	6%	0.061	C	C	.	.	S	Bend	trans	-169.7	157	-175.7	39.3	-98	0	0	0	110	H140 F201 H344 E345 K352 T376 Y381 E399	H140-Y379 VanDerWaalsContact CD2-CB 3.41Å; H140-Y379 WeakPolarHBondContact CD2-CB 3.32Å; H140-Y379 AromaticContact CD2-CG 3.89Å; H140-Y379 AromaticContact CE1-CD1 3.64Å; H140-Y379 AromaticContact CE1-CD2 3.56Å; H140-Y379 AromaticContact CE1-CE2 3.99Å; H140-Y379 AromaticContact CE1-CG 3.37Å; H140-Y379 VanDerWaalsContact CG-CB 3.49Å; H140-Y379 AromaticContact CG-CG 3.84Å; H140-Y379 AromaticContact ND1-CD2 3.39Å; H140-Y379 WeakPolarHBondContact ND1-CD2 3.23Å; H140-Y379 AromaticContact ND1-CG 3.53Å; H140-Y379 AromaticContact NE2-CD1 3.76Å; H140-Y379 AromaticContact NE2-CG 3.62Å; F201-Y379 HydrophobicContact CD2-CE1 4.28Å; F201-Y379 HydrophobicContact CE2-CD1 4.36Å; F201-Y379 AromaticContact CE2-CE1 3.98Å; F201-Y379 HydrophobicContact CE2-CE1 3.98Å; F201-Y379 HydrophobicContact CZ-CD1 4.21Å; F201-Y379 HydrophobicContact CZ-CE1 4.15Å; H344-Y379 AromaticContact ND1-CE1 3.93Å; H344-Y379 AromaticContact ND1-CZ 3.84Å; H344-Y379 PolarHBondContact ND1-OH 2.98Å; E345-Y379 HydrophobicContact CB-CE2 4.04Å; E345-Y379 HydrophobicContact CG-CE2 4.21Å; E345-Y379 PolarHBondContact O-OH 2.77Å; K352-Y379 WeakPolarHBondContact CE-OH 3.48Å; K352-Y379 PolarHBondContact NZ-OH 2.74Å; T376-Y379 WeakPolarHBondContact CB-O 3.22Å; T376-Y379 CarbonylContact O-C 3.55Å; T376-Y379 PolarHBondContact O-N 2.85Å; Y379-Y381 AromaticContact CD2-CD1 3.86Å; Y379-Y381 HydrophobicContact CD2-CD1 3.86Å; Y379-Y381 AromaticContact CD2-CE1 3.91Å; Y379-Y381 HydrophobicContact CD2-CE1 3.91Å; Y379-Y381 AromaticContact CE2-CD1 3.95Å; Y379-Y381 HydrophobicContact CE2-CD1 3.95Å; Y379-Y381 AromaticContact CE2-CE1 3.77Å; Y379-Y381 HydrophobicContact CE2-CE1 3.77Å; Y379-Y381 WeakPolarHBondContact O-CD1 3.49Å; Y379-Y381 WeakPolarHBondContact O-CE1 3.38Å; Y379-Y381 PolarHBondContact O-N 2.87Å; Y379-E399 CarbonylContact C-O 3.44Å; Y379-E399 WeakPolarHBondContact CA-O 3.08Å
380	P	98.7	Very high	98.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.			trans	-61.8	128.2	177.3	-21.5	32.7	0	0	0	109.8	L141 R209 E399 L426	L141-P380 HydrophobicContact CD2-CB 4.28Å; L141-P380 HydrophobicContact CD2-CG 4.22Å; L141-P380 HydrophobicContact CG-CG 4.43Å; R209-P380 PolarHBondContact NH2-O 2.84Å; P380-E399 WeakPolarHBondContact CD-O 3.41Å; P380-L426 HydrophobicContact CB-CD1 3.62Å; P380-L426 HydrophobicContact CG-CD1 3.49Å; P380-L426 VanDerWaalsContact CG-CD1 3.49Å; P380-L426 HydrophobicContact CG-CD2 4.1Å; P380-L426 HydrophobicContact CG-CG 4.26Å
381	Y	98.8	Very high	98.7	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.012	6%	0.055	C	C	.	.			trans	-79.1	174.8	179.5	-71.7	3.3	0	0	0	112.1	R209 K343 H344 E345 F374 T376 S377 Y379 I385 R429	R209-Y381 PolarHBondContact NH1-O 3.19Å; R209-Y381 PolarHBondContact NH2-O 2.99Å; K343-Y381 HydrophobicContact CB-CE2 3.89Å; K343-Y381 PolarHBondContact O-OH 3.42Å; H344-Y381 WeakPolarHBondContact CA-OH 2.91Å; H344-Y381 PolarHBondContact N-OH 2.73Å; E345-Y381 HydrophobicContact CG-CD1 3.84Å; E345-Y381 HydrophobicContact CG-CD2 4.3Å; E345-Y381 HydrophobicContact CG-CE1 4.25Å; E345-Y381 HydrophobicContact CG-CG 3.9Å; F374-Y381 HydrophobicContact CD2-CE2 4.37Å; F374-Y381 AromaticContact CE2-CD2 3.92Å; F374-Y381 HydrophobicContact CE2-CD2 3.92Å; F374-Y381 AromaticContact CE2-CE2 3.86Å; F374-Y381 HydrophobicContact CE2-CE2 3.86Å; T376-Y381 HydrophobicContact CG2-CD1 4.24Å; T376-Y381 HydrophobicContact CG2-CD2 3.95Å; T376-Y381 HydrophobicContact CG2-CE2 4.32Å; T376-Y381 HydrophobicContact CG2-CG 3.88Å; S377-Y381 PolarHBondContact N-OH 2.88Å; S377-Y381 VanDerWaalsContact N-OH 3.11Å; S377-Y381 WeakPolarHBondContact O-CE1 3.23Å; S377-Y381 PolarHBondContact O-OH 2.88Å; Y379-Y381 AromaticContact CD2-CD1 3.86Å; Y379-Y381 HydrophobicContact CD2-CD1 3.86Å; Y379-Y381 AromaticContact CD2-CE1 3.91Å; Y379-Y381 HydrophobicContact CD2-CE1 3.91Å; Y379-Y381 AromaticContact CE2-CD1 3.95Å; Y379-Y381 HydrophobicContact CE2-CD1 3.95Å; Y379-Y381 AromaticContact CE2-CE1 3.77Å; Y379-Y381 HydrophobicContact CE2-CE1 3.77Å; Y379-Y381 WeakPolarHBondContact O-CD1 3.49Å; Y379-Y381 WeakPolarHBondContact O-CE1 3.38Å; Y379-Y381 PolarHBondContact O-N 2.87Å; Y381-I385 HydrophobicContact CD2-CD1 4.25Å; Y381-I385 HydrophobicContact CD2-CG2 4.31Å; Y381-R429 PolarHBondContact O-NH1 2.93Å; Y381-R429 PolarHBondContact O-NH2 3.34Å
382	A	98.8	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.063	C	C	.	.			trans	-56.2	140.5	173.8	0	0	0	0	0	111.9	R209 E345 L354 E384 I385	R209-A382 HydrophobicContact CG-CB 4.26Å; R209-A382 VanDerWaalsContact CZ-CA 3.45Å; R209-A382 VanDerWaalsContact NE-CA 3.31Å; R209-A382 VanDerWaalsContact NH2-N 3.17Å; E345-A382 WeakPolarHBondContact OE1-CB 3.41Å; E345-A382 PolarHBondContact OE1-N 2.66Å; L354-A382 HydrophobicContact CD1-CB 3.49Å; L354-A382 VanDerWaalsContact CD1-CB 3.49Å; A382-E384 WeakPolarHBondContact CB-OE2 3.36Å; A382-E384 PolarHBondContact O-N 2.89Å; A382-E384 VanDerWaalsContact O-N 3.16Å; A382-I385 HydrophobicContact CB-CD1 4.22Å; A382-I385 HydrophobicContact CB-CG1 4.42Å; A382-I385 WeakPolarHBondContact O-CB 3.49Å; A382-I385 PolarHBondContact O-N 3.03Å
383	E	98.8	Very high	98.7	Very high	9 Å²	9	14.6 Å²	14.6	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-58.1	-32.6	-177.1	-65	166.4	90.9	0	0	111.1	F23 R116 I385 L386 Q387 R429	F23-E383 HydrophobicContact CD2-CB 3.72Å; F23-E383 HydrophobicContact CD2-CG 4.28Å; F23-E383 HydrophobicContact CE2-CB 3.95Å; R116-E383 IonicContact CZ-OE2 3.91Å; R116-E383 IonicContact NE-OE2 3.92Å; R116-E383 IonicContact NH2-OE1 2.96Å; R116-E383 PolarHBondContact NH2-OE1 2.93Å; R116-E383 IonicContact NH2-OE2 3.79Å; R116-E383 PolarHBondContact NH2-OE2 3.05Å; E383-I385 VanDerWaalsContact C-N 3.28Å; E383-I385 PolarHBondContact O-N 3.37Å; E383-L386 PolarHBondContact O-N 3.07Å; E383-Q387 VanDerWaalsContact O-CG 3.29Å; E383-Q387 WeakPolarHBondContact O-CG 3.3Å; E383-Q387 PolarHBondContact O-N 3.38Å; E383-R429 HydrophobicContact CG-CG 4.11Å
384	E	98.8	Very high	98.7	Very high	20 Å²	20	14.5 Å²	14.5	9%	0.093	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-36.2	174.5	-64.8	89.9	158.5	0	0	112.8	F23 L354 W356 A382 Q387 M388	F23-E384 HydrophobicContact CZ-CG 4.38Å; L354-E384 HydrophobicContact CD2-CG 4.32Å; L354-E384 WeakPolarHBondContact CD2-OE1 3.45Å; W356-E384 HydrophobicContact CH2-CB 3.67Å; W356-E384 HydrophobicContact CH2-CG 3.92Å; W356-E384 HydrophobicContact CZ2-CB 3.91Å; W356-E384 HydrophobicContact CZ2-CG 3.66Å; W356-E384 HydrophobicContact CZ3-CB 4.41Å; A382-E384 WeakPolarHBondContact CB-OE2 3.36Å; A382-E384 PolarHBondContact O-N 2.89Å; A382-E384 VanDerWaalsContact O-N 3.16Å; E384-Q387 PolarHBondContact O-N 2.91Å; E384-M388 WeakPolarHBondContact O-CG 3.45Å; E384-M388 PolarHBondContact O-N 3.37Å
385	I	98.9	Very high	98.7	Very high	18 Å²	18	14.5 Å²	14.5	9%	0.092	6%	0.062	C	C	.	.	H	α-helix	trans	-69.7	-43.2	178.1	-65.4	168.6	0	0	0	109.8	E345 I359 F363 F374 Y381 A382 E383 Q387 M388 C389	E345-I385 HydrophobicContact CG-CD1 4.37Å; I359-I385 HydrophobicContact CD1-CG1 4.04Å; I359-I385 HydrophobicContact CG1-CD1 4.41Å; I359-I385 HydrophobicContact CG1-CG1 4.05Å; I359-I385 HydrophobicContact CG2-CG1 4.4Å; F363-I385 HydrophobicContact CE2-CG2 4.19Å; F363-I385 HydrophobicContact CZ-CG2 4.25Å; F374-I385 HydrophobicContact CZ-CG2 3.9Å; Y381-I385 HydrophobicContact CD2-CD1 4.25Å; Y381-I385 HydrophobicContact CD2-CG2 4.31Å; A382-I385 HydrophobicContact CB-CD1 4.22Å; A382-I385 HydrophobicContact CB-CG1 4.42Å; A382-I385 WeakPolarHBondContact O-CB 3.49Å; A382-I385 PolarHBondContact O-N 3.03Å; E383-I385 VanDerWaalsContact C-N 3.28Å; E383-I385 PolarHBondContact O-N 3.37Å; I385-Q387 VanDerWaalsContact C-N 3.34Å; I385-Q387 PolarHBondContact O-N 3.08Å; I385-M388 WeakPolarHBondContact O-CB 3.49Å; I385-M388 PolarHBondContact O-N 3.38Å; I385-M388 VanDerWaalsContact O-N 3.12Å; I385-C389 PolarHBondContact O-N 3.05Å; I385-C389 PolarHBondContact O-SG 2.79Å
386	L	98.9	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.9	-37.4	175.2	-62.8	-174.7	0	0	0	112	E383 M388 C389 D390 V396 D430 V436	E383-L386 PolarHBondContact O-N 3.07Å; L386-M388 VanDerWaalsContact C-N 3.28Å; L386-M388 PolarHBondContact O-N 2.9Å; L386-C389 VanDerWaalsContact O-CB 3.29Å; L386-C389 WeakPolarHBondContact O-CB 3.41Å; L386-C389 PolarHBondContact O-N 3.22Å; L386-C389 VanDerWaalsContact O-N 3.1Å; L386-D390 PolarHBondContact O-N 2.91Å; L386-V396 HydrophobicContact CD2-CB 4.41Å; L386-V396 HydrophobicContact CD2-CG1 3.96Å; L386-V396 HydrophobicContact CD2-CG2 4.1Å; L386-D430 HydrophobicContact CD1-CB 4.01Å; L386-D430 WeakPolarHBondContact CD1-OD1 3.18Å; L386-D430 WeakPolarHBondContact CD1-OD2 3.3Å; L386-V436 HydrophobicContact CD1-CG2 4.35Å; L386-V436 HydrophobicContact CD2-CG2 4.33Å
387	Q	98.9	Very high	98.7	Very high	37 Å²	37	14.6 Å²	14.6	17%	0.173	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-35.8	171.8	-68.3	177	40.2	0	0	112.3	F23 R25 E383 E384 I385 R391	F23-Q387 VanDerWaalsContact CD1-NE2 3.34Å; F23-Q387 VanDerWaalsContact CG-NE2 3.33Å; R25-Q387 VanDerWaalsContact NH2-CD 3.33Å; R25-Q387 VanDerWaalsContact NH2-OE1 3.17Å; E383-Q387 VanDerWaalsContact O-CG 3.29Å; E383-Q387 WeakPolarHBondContact O-CG 3.3Å; E383-Q387 PolarHBondContact O-N 3.38Å; E384-Q387 PolarHBondContact O-N 2.91Å; I385-Q387 VanDerWaalsContact C-N 3.34Å; I385-Q387 PolarHBondContact O-N 3.08Å; Q387-R391 VanDerWaalsContact O-CG 3.27Å; Q387-R391 WeakPolarHBondContact O-CG 3.35Å; Q387-R391 PolarHBondContact O-N 3.05Å
388	M	98.8	Very high	98.8	Very high	15 Å²	15	14.6 Å²	14.6	7%	0.074	6%	0.062	C	C	.	.	H	α-helix	trans	-68.3	-38.3	172.3	-74.2	-71.4	-75.4	0	0	111.8	W356 I359 V360 F363 E384 I385 L386 R391 H392	W356-M388 HydrophobicContact CZ3-CG 4.17Å; W356-M388 HydrophobicContact CZ3-SD 4.45Å; I359-M388 HydrophobicContact CG2-CG 4.11Å; V360-M388 HydrophobicContact CG2-CE 4.4Å; F363-M388 HydrophobicContact CB-CE 4.24Å; F363-M388 HydrophobicContact CD1-CB 4.34Å; F363-M388 HydrophobicContact CD2-CB 3.91Å; F363-M388 HydrophobicContact CD2-CE 3.95Å; F363-M388 HydrophobicContact CD2-CG 4.45Å; F363-M388 HydrophobicContact CE1-CB 3.82Å; F363-M388 HydrophobicContact CE2-CB 3.36Å; F363-M388 HydrophobicContact CE2-CG 4.16Å; F363-M388 HydrophobicContact CG-CB 4.39Å; F363-M388 HydrophobicContact CG-CE 4.04Å; F363-M388 HydrophobicContact CZ-CB 3.3Å; E384-M388 WeakPolarHBondContact O-CG 3.45Å; E384-M388 PolarHBondContact O-N 3.37Å; I385-M388 WeakPolarHBondContact O-CB 3.49Å; I385-M388 PolarHBondContact O-N 3.38Å; I385-M388 VanDerWaalsContact O-N 3.12Å; L386-M388 VanDerWaalsContact C-N 3.28Å; L386-M388 PolarHBondContact O-N 2.9Å; M388-R391 PolarHBondContact O-N 2.93Å; M388-R391 PolarHBondContact SD-NH1 3.11Å; M388-H392 VanDerWaalsContact CE-NE2 3.26Å; M388-H392 WeakPolarHBondContact CE-NE2 3.45Å; M388-H392 VanDerWaalsContact O-CB 3.31Å; M388-H392 WeakPolarHBondContact O-CB 3.34Å; M388-H392 PolarHBondContact O-CD2 3.24Å; M388-H392 VanDerWaalsContact O-CD2 3.22Å; M388-H392 PolarHBondContact O-N 2.93Å
389	C	98.9	Very high	98.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59	-48.4	174.8	-60.9	0	0	0	0	111.7	F374 I385 L386 R391 H392 G393 I394 V396 S435	F374-C389 WeakPolarHBondContact CE1-SG 3.45Å; F374-C389 VanDerWaalsContact CZ-SG 3.52Å; I385-C389 PolarHBondContact O-N 3.05Å; I385-C389 PolarHBondContact O-SG 2.79Å; L386-C389 VanDerWaalsContact O-CB 3.29Å; L386-C389 WeakPolarHBondContact O-CB 3.41Å; L386-C389 PolarHBondContact O-N 3.22Å; L386-C389 VanDerWaalsContact O-N 3.1Å; C389-R391 VanDerWaalsContact C-N 3.32Å; C389-R391 PolarHBondContact O-N 3.43Å; C389-H392 PolarHBondContact O-N 3.06Å; C389-G393 PolarHBondContact O-N 3.09Å; C389-I394 HydrophobicContact CB-CB 4.44Å; C389-I394 WeakPolarHBondContact CB-O 3.33Å; C389-I394 PolarHBondContact O-N 3.01Å; C389-V396 HydrophobicContact CB-CG2 3.8Å; C389-V396 VanDerWaalsContact SG-CG2 3.51Å; C389-S435 VanDerWaalsContact CB-CB 3.46Å; C389-S435 WeakPolarHBondContact CB-OG 3.47Å
390	D	98.9	Very high	98.8	Very high	6 Å²	6	14.1 Å²	14.1	3%	0.032	6%	0.06	C	C	.	.	H	α-helix	trans	-55.9	-47.1	177.2	-70.6	-16.2	0	0	0	112	W281 G291 L293 L386 H392 H433 P434 S435	W281-D390 PolarHBondContact NE1-O 3.3Å; G291-D390 WeakPolarHBondContact CA-O 3.46Å; L293-D390 HydrophobicContact CD1-CB 4.05Å; L293-D390 HydrophobicContact CD2-CB 4.24Å; L386-D390 PolarHBondContact O-N 2.91Å; D390-H392 VanDerWaalsContact C-N 3.34Å; D390-H392 PolarHBondContact O-N 3.35Å; D390-H433 IonicContact OD1-ND1 3.8Å; D390-H433 IonicContact OD2-CE1 2.78Å; D390-H433 IonicContact OD2-CG 3.54Å; D390-H433 IonicContact OD2-ND1 3.74Å; D390-H433 PolarHBondContact OD2-ND1 2.87Å; D390-P434 HydrophobicContact CB-CG 4.12Å; D390-P434 VanDerWaalsContact CG-CD 3.45Å; D390-P434 WeakPolarHBondContact OD1-CD 3.37Å; D390-P434 WeakPolarHBondContact OD1-CG 3.46Å; D390-S435 WeakPolarHBondContact OD1-CB 3.44Å; D390-S435 PolarHBondContact OD1-N 2.91Å; D390-S435 PolarHBondContact OD1-OG 3.24Å
391	R	98.6	Very high	98.8	Very high	148 Å²	148	14.5 Å²	14.5	56%	0.558	6%	0.063	S	C	*	.	H	α-helix	trans	-70.4	-30.4	-177.9	-69.6	173.9	70.9	-120.3	1.5	112.9	L293 Q387 M388 C389	L293-R391 HydrophobicContact CD1-CG 3.87Å; Q387-R391 VanDerWaalsContact O-CG 3.27Å; Q387-R391 WeakPolarHBondContact O-CG 3.35Å; Q387-R391 PolarHBondContact O-N 3.05Å; M388-R391 PolarHBondContact O-N 2.93Å; M388-R391 PolarHBondContact SD-NH1 3.11Å; C389-R391 VanDerWaalsContact C-N 3.32Å; C389-R391 PolarHBondContact O-N 3.43Å
392	H	98.6	Very high	98.8	Very high	40 Å²	40	14.3 Å²	14.3	19%	0.185	6%	0.062	C	C	.	.	H	α-helix	trans	-98	-7.1	-175.4	-72	-46.1	0	0	0	114	F363 K367 M388 C389 D390 I394	F363-H392 HydrophobicContact CD1-CB 4.14Å; F363-H392 AromaticContact CD1-CD2 3.49Å; F363-H392 VanDerWaalsContact CD1-CD2 3.49Å; F363-H392 WeakPolarHBondContact CD1-CD2 3.41Å; F363-H392 HydrophobicContact CE1-CB 4.43Å; F363-H392 AromaticContact CG-CD2 3.93Å; K367-H392 PolarHBondContact NZ-ND1 2.82Å; M388-H392 VanDerWaalsContact CE-NE2 3.26Å; M388-H392 WeakPolarHBondContact CE-NE2 3.45Å; M388-H392 VanDerWaalsContact O-CB 3.31Å; M388-H392 WeakPolarHBondContact O-CB 3.34Å; M388-H392 PolarHBondContact O-CD2 3.24Å; M388-H392 VanDerWaalsContact O-CD2 3.22Å; M388-H392 PolarHBondContact O-N 2.93Å; C389-H392 PolarHBondContact O-N 3.06Å; D390-H392 VanDerWaalsContact C-N 3.34Å; D390-H392 PolarHBondContact O-N 3.35Å; H392-I394 VanDerWaalsContact C-N 3.29Å; H392-I394 HydrophobicContact CB-CG1 3.99Å
393	G	98.8	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	22.9	-175.2	0	0	0	0	0	112.6	P283 Y284 C389	P283-G393 CarbonylContact C-O 3.57Å; P283-G393 WeakPolarHBondContact CA-O 3.4Å; Y284-G393 PolarHBondContact N-O 3.3Å; C389-G393 PolarHBondContact O-N 3.09Å
394	I	98.9	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.062	C	C	.	.			trans	-86.3	124.5	177.3	-54.8	-58	0	0	0	107.8	Y284 F363 A371 F374 C389 H392 S435	Y284-I394 HydrophobicContact CD1-CD1 4.11Å; Y284-I394 HydrophobicContact CG-CD1 4.36Å; F363-I394 HydrophobicContact CD1-CG1 4.12Å; F363-I394 HydrophobicContact CE1-CB 4.31Å; F363-I394 HydrophobicContact CE1-CG1 3.99Å; A371-I394 WeakPolarHBondContact O-CD1 3.25Å; F374-I394 HydrophobicContact CD1-CG2 3.67Å; F374-I394 HydrophobicContact CE1-CG2 3.96Å; C389-I394 HydrophobicContact CB-CB 4.44Å; C389-I394 WeakPolarHBondContact CB-O 3.33Å; C389-I394 PolarHBondContact O-N 3.01Å; H392-I394 VanDerWaalsContact C-N 3.29Å; H392-I394 HydrophobicContact CB-CG1 3.99Å; I394-S435 WeakPolarHBondContact O-CB 3.47Å
395	V	98.9	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.7	-177.7	170.3	0	0	0	0	110.4	W281 P283 I331 F336 F338 N372 S373 F374 S435 V437	W281-V395 HydrophobicContact CH2-CG2 3.86Å; W281-V395 HydrophobicContact CZ3-CG2 4.22Å; P283-V395 HydrophobicContact CB-CG2 3.8Å; P283-V395 HydrophobicContact CG-CG2 3.66Å; I331-V395 HydrophobicContact CD1-CG2 3.94Å; F336-V395 HydrophobicContact CE1-CB 4.23Å; F336-V395 HydrophobicContact CE1-CG1 3.96Å; F336-V395 HydrophobicContact CE1-CG2 4.22Å; F336-V395 HydrophobicContact CE2-CG2 4.21Å; F336-V395 HydrophobicContact CZ-CB 3.91Å; F336-V395 HydrophobicContact CZ-CG1 4.16Å; F336-V395 HydrophobicContact CZ-CG2 3.7Å; F338-V395 HydrophobicContact CD1-CG1 4.27Å; F338-V395 HydrophobicContact CE1-CG1 3.66Å; F338-V395 HydrophobicContact CZ-CG1 4.42Å; N372-V395 PolarHBondContact O-N 3.41Å; S373-V395 CarbonylContact C-O 3.58Å; S373-V395 WeakPolarHBondContact CA-O 3.37Å; S373-V395 WeakPolarHBondContact CB-O 3Å; F374-V395 PolarHBondContact N-O 3.43Å; V395-S435 CarbonylContact C-O 3.53Å; V395-S435 WeakPolarHBondContact CA-O 3.21Å; V395-V437 HydrophobicContact CG1-CB 4.08Å; V395-V437 HydrophobicContact CG1-CG1 3.73Å; V395-V437 HydrophobicContact CG1-CG2 3.21Å; V395-V437 HydrophobicContact CG2-CG1 4.46Å
396	V	98.9	Very high	98.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.1	-175	-177	0	0	0	0	111	F374 T376 L386 C389 D398 S435 V436 V437	F374-V396 HydrophobicContact CE1-CG2 3.98Å; F374-V396 HydrophobicContact CZ-CG2 3.97Å; F374-V396 WeakPolarHBondContact O-CA 3.27Å; T376-V396 HydrophobicContact CG2-CG1 3.77Å; L386-V396 HydrophobicContact CD2-CB 4.41Å; L386-V396 HydrophobicContact CD2-CG1 3.96Å; L386-V396 HydrophobicContact CD2-CG2 4.1Å; C389-V396 HydrophobicContact CB-CG2 3.8Å; C389-V396 VanDerWaalsContact SG-CG2 3.51Å; V396-D398 HydrophobicContact CG1-CB 4.23Å; V396-S435 PolarHBondContact N-O 2.66Å; V396-V436 HydrophobicContact CB-CG2 4.35Å; V396-V437 PolarHBondContact O-N 2.83Å
397	I	98.9	Very high	98.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	108.7	156.8	-56.3	175.4	0	0	0	106	F338 F374 R375 T376 M438 I530 L578	F338-I397 HydrophobicContact CD1-CD1 4.35Å; F338-I397 HydrophobicContact CD1-CG1 4.45Å; F338-I397 HydrophobicContact CE1-CD1 4.22Å; F338-I397 HydrophobicContact CE1-CG1 3.99Å; F374-I397 PolarHBondContact O-N 2.94Å; F374-I397 VanDerWaalsContact O-N 3.08Å; R375-I397 WeakPolarHBondContact CA-O 3.44Å; R375-I397 HydrophobicContact CB-CB 4.14Å; R375-I397 HydrophobicContact CG-CB 4.08Å; R375-I397 HydrophobicContact CG-CG2 4.15Å; T376-I397 PolarHBondContact N-O 2.94Å; T376-I397 VanDerWaalsContact N-O 3.11Å; I397-M438 WeakPolarHBondContact CA-O 3.13Å; I397-M438 HydrophobicContact CD1-CE 3.55Å; I397-M438 HydrophobicContact CG1-CB 4.49Å; I397-M438 HydrophobicContact CG1-CE 3.79Å; I397-M438 HydrophobicContact CG2-CE 4.09Å; I397-I530 HydrophobicContact CD1-CD1 3.99Å; I397-L578 HydrophobicContact CD1-CD1 3.94Å
398	D	98.9	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.9	-171.8	-160.5	-1.8	0	0	0	109.6	V396 D430 V436 M438 W439 S440	V396-D398 HydrophobicContact CG1-CB 4.23Å; D398-D430 WeakPolarHBondContact OD2-CB 3.36Å; D398-D430 VanDerWaalsContact OD2-OD2 3.13Å; D398-V436 HydrophobicContact CB-CG1 3.67Å; D398-V436 HydrophobicContact CB-CG2 4.1Å; D398-M438 PolarHBondContact N-O 3.5Å; D398-W439 HydrophobicContact CB-CE3 3.84Å; D398-W439 HydrophobicContact CB-CZ3 3.8Å; D398-W439 CarbonylContact O-C 3.37Å; D398-W439 WeakPolarHBondContact O-CA 3.32Å; D398-W439 WeakPolarHBondContact OD2-CZ3 3.49Å; D398-S440 PolarHBondContact O-N 3.44Å
399	E	98.9	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.3	-162.9	-179.1	159	105.2	0	0	111.9	R375 T376 H378 Y379 P380 S440	R375-E399 WeakPolarHBondContact CD-OE2 3.42Å; R375-E399 HydrophobicContact CG-CB 4.45Å; R375-E399 IonicContact NH1-OE1 3.6Å; R375-E399 IonicContact NH1-OE2 3.68Å; R375-E399 PolarHBondContact NH1-OE2 3.06Å; T376-E399 PolarHBondContact OG1-N 2.67Å; H378-E399 WeakPolarHBondContact CA-OE1 3.47Å; H378-E399 IonicContact CE1-OE1 2.71Å; H378-E399 IonicContact CG-OE1 2.88Å; H378-E399 IonicContact ND1-OE1 3.25Å; H378-E399 PolarHBondContact ND1-OE1 2.95Å; Y379-E399 CarbonylContact C-O 3.44Å; Y379-E399 WeakPolarHBondContact CA-O 3.08Å; P380-E399 WeakPolarHBondContact CD-O 3.41Å; E399-S440 WeakPolarHBondContact CA-O 3.46Å; E399-S440 WeakPolarHBondContact CG-OG 3.26Å; E399-S440 WeakPolarHBondContact OE2-CB 3.44Å; E399-S440 PolarHBondContact OE2-OG 2.82Å
400	S	98.6	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.113	C	C	.	.			trans	-70.6	162.8	171.5	82.9	0	0	0	0	111.4	G402 H419 M423 S440 V441	S400-G402 PolarHBondContact O-N 2.95Å; S400-G402 PolarHBondContact OG-N 3.4Å; S400-H419 PolarHBondContact OG-NE2 2.94Å; S400-M423 VanDerWaalsContact CB-SD 3.52Å; S400-S440 PolarHBondContact N-O 2.71Å; S400-V441 VanDerWaalsContact OG-C 3.25Å; S400-V441 PolarHBondContact OG-O 2.86Å
401	P	98.4	Very high	98	Very high	7 Å²	7	26.3 Å²	26.3	5%	0.045	11%	0.114	C	C	.	.	S	Bend	trans	-74	22.9	175.3	33.3	-34.1	0	0	0	114.7	L174 P175 H378 V403 V422	L174-P401 CarbonylContact C-O 3.58Å; L174-P401 HydrophobicContact CB-CB 4.29Å; L174-P401 HydrophobicContact CB-CG 3.9Å; L174-P401 WeakPolarHBondContact O-CB 3.36Å; P175-P401 WeakPolarHBondContact CA-O 3.34Å; H378-P401 VanDerWaalsContact O-CA 3.29Å; H378-P401 WeakPolarHBondContact O-CA 3.17Å; P401-V403 PolarHBondContact O-N 2.78Å; P401-V422 HydrophobicContact CG-CG1 3.91Å
402	G	98.2	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.			trans	-75.9	52.2	179.6	0	0	0	0	0	114.5	S400 A442 N443	S400-G402 PolarHBondContact O-N 2.95Å; S400-G402 PolarHBondContact OG-N 3.4Å; G402-A442 CarbonylContact O-C 3.59Å; G402-A442 WeakPolarHBondContact O-CA 3.25Å; G402-A442 WeakPolarHBondContact O-CB 3.23Å; G402-N443 PolarHBondContact O-N 3.21Å
403	V	98.4	Very high	97.8	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.03	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-108.8	149	179.2	62	0	0	0	0	111	P175 P176 F199 F201 H378 P401 N443	P175-V403 HydrophobicContact CB-CG1 3.85Å; P175-V403 WeakPolarHBondContact CB-O 3.38Å; P176-V403 WeakPolarHBondContact CD-O 3.15Å; F199-V403 HydrophobicContact CB-CG1 4.07Å; F199-V403 HydrophobicContact CB-CG2 3.94Å; F201-V403 HydrophobicContact CE1-CG1 3.79Å; F201-V403 HydrophobicContact CZ-CG1 3.95Å; H378-V403 HydrophobicContact CB-CB 3.88Å; H378-V403 HydrophobicContact CB-CG1 3.75Å; H378-V403 HydrophobicContact CB-CG2 4.16Å; P401-V403 PolarHBondContact O-N 2.78Å; V403-N443 WeakPolarHBondContact CA-O 3.11Å; V403-N443 HydrophobicContact CB-CB 4.08Å; V403-N443 HydrophobicContact CG2-CB 3.91Å
404	G	96.7	Very high	97.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	16%	0.155	C	C	.	.			trans	76	20.2	177.7	0	0	0	0	0	115.4	P176 N198 K406	P176-G404 WeakPolarHBondContact CG-O 3.39Å; N198-G404 WeakPolarHBondContact O-CA 3.28Å; G404-K406 PolarHBondContact O-N 2.89Å
405	I	98.1	Very high	97.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.157	C	C	.	.			trans	-75	71.4	175.1	-48	176.8	0	0	0	109.6	L174 P176 F411 P445 A446	L174-I405 HydrophobicContact CD2-CD1 4.27Å; P176-I405 HydrophobicContact CG-CG1 4.23Å; I405-F411 HydrophobicContact CB-CZ 4.49Å; I405-F411 HydrophobicContact CG2-CD1 4.35Å; I405-F411 HydrophobicContact CG2-CD2 4.21Å; I405-F411 HydrophobicContact CG2-CE1 3.9Å; I405-F411 HydrophobicContact CG2-CE2 3.76Å; I405-F411 HydrophobicContact CG2-CG 4.5Å; I405-F411 HydrophobicContact CG2-CZ 3.6Å; I405-P445 HydrophobicContact CB-CB 4.08Å; I405-A446 PolarHBondContact O-N 2.96Å
406	K	97	Very high	97.6	Very high	48 Å²	48	29.6 Å²	29.6	21%	0.209	16%	0.161	C	C	.	.			trans	-104.4	-21.2	-177.1	-56.9	-66	-163.5	-176.6	0	113.4	N198 G404 E444 M449 D477	N198-K406 HydrophobicContact CB-CB 4.19Å; N198-K406 HydrophobicContact CB-CG 3.75Å; G404-K406 PolarHBondContact O-N 2.89Å; K406-E444 WeakPolarHBondContact CE-O 3.34Å; K406-E444 PolarHBondContact NZ-O 2.98Å; K406-M449 WeakPolarHBondContact O-CE 3.29Å; K406-D477 IonicContact NZ-OD2 3.53Å; K406-D477 PolarHBondContact NZ-OD2 2.73Å
407	D	96.6	Very high	97.6	Very high	41 Å²	41	34 Å²	34	22%	0.219	19%	0.189	C	C	.	.	S	Bend	trans	-85.7	131.7	177.2	-166.9	-52.5	0	0	0	111.2	L171 R409 S410 F411	L171-D407 HydrophobicContact CD2-CB 4.05Å; D407-R409 PolarHBondContact O-N 3.1Å; D407-R409 VanDerWaalsContact OD1-CB 3.24Å; D407-R409 WeakPolarHBondContact OD1-CB 3.44Å; D407-R409 VanDerWaalsContact OD1-CG 3.31Å; D407-R409 WeakPolarHBondContact OD1-CG 3.43Å; D407-R409 IonicContact OD1-CZ 3.18Å; D407-R409 PolarHBondContact OD1-N 3.14Å; D407-R409 IonicContact OD1-NE 3.98Å; D407-R409 PolarHBondContact OD1-NE 2.87Å; D407-R409 IonicContact OD1-NH2 2.64Å; D407-R409 IonicContact OD2-CZ 3.91Å; D407-R409 VanDerWaalsContact OD2-CZ 3.31Å; D407-R409 IonicContact OD2-NE 2.99Å; D407-R409 PolarHBondContact OD2-NE 2.68Å; D407-R409 VanDerWaalsContact OD2-NE 3.16Å; D407-R409 IonicContact OD2-NH2 3.54Å; D407-R409 PolarHBondContact OD2-NH2 3.46Å; D407-S410 WeakPolarHBondContact O-CB 3.37Å; D407-S410 PolarHBondContact O-N 3.15Å; D407-F411 WeakPolarHBondContact O-CD2 3.42Å
408	I	96.3	Very high	97.5	Very high	97 Å²	97	34.9 Å²	34.9	50%	0.497	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-55.4	-29.6	178.5	-164.7	170.5	0	0	0	112.9	S410 F411 M449 P451	I408-S410 VanDerWaalsContact C-N 3.3Å; I408-S410 PolarHBondContact O-N 2.7Å; I408-F411 PolarHBondContact O-N 3.06Å; I408-M449 HydrophobicContact CB-SD 3.85Å; I408-M449 HydrophobicContact CG1-SD 4.11Å; I408-P451 HydrophobicContact CD1-CG 4.47Å; I408-P451 HydrophobicContact CG1-CG 3.93Å
409	R	96.1	Very high	97.5	Very high	145 Å²	145	34.9 Å²	34.9	55%	0.547	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-71.2	-24.8	179.4	-60.8	172.7	-70.1	173.5	0.2	112.4	L171 D407 F411 G412	L171-R409 HydrophobicContact CD1-CB 3.86Å; L171-R409 HydrophobicContact CD2-CB 4.35Å; D407-R409 PolarHBondContact O-N 3.1Å; D407-R409 VanDerWaalsContact OD1-CB 3.24Å; D407-R409 WeakPolarHBondContact OD1-CB 3.44Å; D407-R409 VanDerWaalsContact OD1-CG 3.31Å; D407-R409 WeakPolarHBondContact OD1-CG 3.43Å; D407-R409 IonicContact OD1-CZ 3.18Å; D407-R409 PolarHBondContact OD1-N 3.14Å; D407-R409 IonicContact OD1-NE 3.98Å; D407-R409 PolarHBondContact OD1-NE 2.87Å; D407-R409 IonicContact OD1-NH2 2.64Å; D407-R409 IonicContact OD2-CZ 3.91Å; D407-R409 VanDerWaalsContact OD2-CZ 3.31Å; D407-R409 IonicContact OD2-NE 2.99Å; D407-R409 PolarHBondContact OD2-NE 2.68Å; D407-R409 VanDerWaalsContact OD2-NE 3.16Å; D407-R409 IonicContact OD2-NH2 3.54Å; D407-R409 PolarHBondContact OD2-NH2 3.46Å; R409-F411 PolarHBondContact O-N 2.96Å; R409-G412 PolarHBondContact O-N 2.61Å
410	S	97.3	Very high	97.5	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-74.1	-3.2	175.2	-64.2	0	0	0	0	113.5	L171 D407 I408 S415	L171-S410 PolarHBondContact O-OG 2.85Å; L171-S410 VanDerWaalsContact O-OG 3.08Å; D407-S410 WeakPolarHBondContact O-CB 3.37Å; D407-S410 PolarHBondContact O-N 3.15Å; I408-S410 VanDerWaalsContact C-N 3.3Å; I408-S410 PolarHBondContact O-N 2.7Å; S410-S415 WeakPolarHBondContact O-CB 3.17Å; S410-S415 PolarHBondContact O-OG 3.31Å
411	F	97.3	Very high	97.5	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.061	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-94.7	8.2	169.4	-63.6	-89.2	0	0	0	113.2	I405 D407 I408 R409 A446 M449 P451 A452 Y455 F456	I405-F411 HydrophobicContact CB-CZ 4.49Å; I405-F411 HydrophobicContact CG2-CD1 4.35Å; I405-F411 HydrophobicContact CG2-CD2 4.21Å; I405-F411 HydrophobicContact CG2-CE1 3.9Å; I405-F411 HydrophobicContact CG2-CE2 3.76Å; I405-F411 HydrophobicContact CG2-CG 4.5Å; I405-F411 HydrophobicContact CG2-CZ 3.6Å; D407-F411 WeakPolarHBondContact O-CD2 3.42Å; I408-F411 PolarHBondContact O-N 3.06Å; R409-F411 PolarHBondContact O-N 2.96Å; F411-A446 HydrophobicContact CE2-CB 4.45Å; F411-A446 HydrophobicContact CZ-CB 4.41Å; F411-M449 HydrophobicContact CD2-SD 4.44Å; F411-M449 HydrophobicContact CE2-SD 3.99Å; F411-P451 HydrophobicContact CB-CB 3.81Å; F411-P451 HydrophobicContact CB-CG 3.83Å; F411-P451 HydrophobicContact CD2-CG 4.36Å; F411-P451 HydrophobicContact CG-CB 4.42Å; F411-P451 HydrophobicContact CG-CG 4.1Å; F411-A452 HydrophobicContact CD1-CB 4.27Å; F411-A452 HydrophobicContact CE1-CB 3.79Å; F411-A452 HydrophobicContact CZ-CB 4.34Å; F411-Y455 HydrophobicContact CB-CD2 4.24Å; F411-Y455 HydrophobicContact CD1-CD1 4.35Å; F411-Y455 HydrophobicContact CD1-CD2 4.07Å; F411-Y455 AromaticContact CD1-CG 3.89Å; F411-Y455 HydrophobicContact CD1-CG 3.89Å; F411-F456 AromaticContact CE1-CE2 3.89Å; F411-F456 HydrophobicContact CE1-CE2 3.89Å; F411-F456 HydrophobicContact CE1-CZ 4.36Å
412	G	95.4	Very high	97.5	Very high	30 Å²	30	37.9 Å²	37.9	31%	0.309	21%	0.214	S	C	.	.	S	Bend	trans	-71.3	168.5	179.5	0	0	0	0	0	113.9	R409 A414 S415 L416	R409-G412 PolarHBondContact O-N 2.61Å; G412-A414 VanDerWaalsContact C-N 3.28Å; G412-A414 PolarHBondContact O-N 2.81Å; G412-S415 PolarHBondContact O-N 2.83Å; G412-L416 PolarHBondContact O-N 3.35Å
413	N	96.6	Very high	97.5	Very high	134 Å²	134	37.9 Å²	37.9	72%	0.717	21%	0.214	S	C	*	.	H	α-helix	trans	-58.6	-36	-177.7	-72	-0.2	0	0	0	113.5	L416 T417	N413-L416 PolarHBondContact O-N 3.23Å; N413-T417 WeakPolarHBondContact O-CB 3.34Å; N413-T417 PolarHBondContact O-N 2.91Å; N413-T417 PolarHBondContact O-OG1 2.92Å
414	A	96.6	Very high	97.5	Very high	68 Å²	68	38.3 Å²	38.3	56%	0.562	22%	0.216	S	C	*	.	H	α-helix	trans	-62.7	-50.7	178.3	0	0	0	0	0	111.2	H172 G412 L416 T417 H418	H172-A414 HydrophobicContact CB-CB 4.4Å; G412-A414 VanDerWaalsContact C-N 3.28Å; G412-A414 PolarHBondContact O-N 2.81Å; A414-L416 VanDerWaalsContact C-N 3.33Å; A414-L416 PolarHBondContact O-N 3.26Å; A414-T417 PolarHBondContact O-N 2.98Å; A414-H418 WeakPolarHBondContact O-CB 3.34Å; A414-H418 PolarHBondContact O-N 2.93Å
415	S	97.8	Very high	97.6	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-37.8	176.9	-44.3	0	0	0	0	112	L171 H172 S410 G412 H419 Y455	L171-S415 PolarHBondContact O-OG 2.98Å; H172-S415 WeakPolarHBondContact CA-OG 3.42Å; S410-S415 WeakPolarHBondContact O-CB 3.17Å; S410-S415 PolarHBondContact O-OG 3.31Å; G412-S415 PolarHBondContact O-N 2.83Å; S415-H419 WeakPolarHBondContact O-CB 3.4Å; S415-H419 PolarHBondContact O-N 2.79Å; S415-Y455 PolarHBondContact O-OH 3.42Å
416	L	98.4	Very high	97.6	Very high	18 Å²	18	39.2 Å²	39.2	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-47.9	175.8	179.8	58.4	0	0	0	111.6	G412 N413 A414 H418 H419 L420 Y455 T458	G412-L416 PolarHBondContact O-N 3.35Å; N413-L416 PolarHBondContact O-N 3.23Å; A414-L416 VanDerWaalsContact C-N 3.33Å; A414-L416 PolarHBondContact O-N 3.26Å; L416-H418 VanDerWaalsContact C-N 3.29Å; L416-H418 PolarHBondContact O-N 3.07Å; L416-H419 PolarHBondContact O-N 3.25Å; L416-L420 HydrophobicContact CD1-CD1 4.38Å; L416-L420 HydrophobicContact CD1-CG 4.24Å; L416-L420 HydrophobicContact CG-CD1 4.16Å; L416-L420 HydrophobicContact CG-CG 4.48Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.44Å; L416-L420 PolarHBondContact O-N 2.95Å; L416-Y455 HydrophobicContact CB-CD2 3.87Å; L416-Y455 HydrophobicContact CB-CE2 3.62Å; L416-Y455 HydrophobicContact CD1-CD1 4.36Å; L416-Y455 HydrophobicContact CD1-CD2 3.87Å; L416-Y455 HydrophobicContact CD1-CE1 4.35Å; L416-Y455 HydrophobicContact CD1-CE2 3.89Å; L416-Y455 HydrophobicContact CD1-CG 4.12Å; L416-Y455 HydrophobicContact CG-CD2 4.3Å; L416-Y455 HydrophobicContact CG-CE2 4.31Å; L416-T458 HydrophobicContact CD2-CG2 4.29Å
417	T	98.2	Very high	97.7	Very high	94 Å²	94	37.2 Å²	37.2	58%	0.577	21%	0.211	S	C	*	.	H	α-helix	trans	-58.4	-43.8	176.9	-64.4	0	0	0	0	111.3	N413 A414 L420 A421	N413-T417 WeakPolarHBondContact O-CB 3.34Å; N413-T417 PolarHBondContact O-N 2.91Å; N413-T417 PolarHBondContact O-OG1 2.92Å; A414-T417 PolarHBondContact O-N 2.98Å; T417-L420 PolarHBondContact O-N 3.45Å; T417-A421 PolarHBondContact O-N 2.92Å; T417-A421 VanDerWaalsContact O-N 3.14Å
418	H	98.2	Very high	97.8	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-44	176.6	-177.7	68.6	0	0	0	111.5	Y122 E137 H172 A414 L416 L420 A421 V422	Y122-H418 AromaticContact CZ-NE2 3.95Å; Y122-H418 PolarHBondContact OH-CD2 3.35Å; Y122-H418 PolarHBondContact OH-CE1 3.09Å; Y122-H418 VanDerWaalsContact OH-CE1 3.24Å; Y122-H418 PolarHBondContact OH-NE2 3.44Å; E137-H418 IonicContact OE1-CE1 3.54Å; E137-H418 IonicContact OE1-ND1 3.52Å; E137-H418 PolarHBondContact OE1-ND1 2.9Å; E137-H418 IonicContact OE2-ND1 3.88Å; H172-H418 PolarHBondContact O-CD2 3.15Å; A414-H418 WeakPolarHBondContact O-CB 3.34Å; A414-H418 PolarHBondContact O-N 2.93Å; L416-H418 VanDerWaalsContact C-N 3.29Å; L416-H418 PolarHBondContact O-N 3.07Å; H418-L420 PolarHBondContact O-N 3.14Å; H418-A421 WeakPolarHBondContact O-CB 3.49Å; H418-A421 PolarHBondContact O-N 2.94Å; H418-V422 WeakPolarHBondContact NE2-CG2 3.34Å; H418-V422 WeakPolarHBondContact O-CG2 3.46Å; H418-V422 PolarHBondContact O-N 3.4Å
419	H	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-38.2	176.7	-153.6	156.8	0	0	0	113.4	L174 S400 S415 L416 A421 V422 M423 V441 Y455 L459	L174-H419 VanDerWaalsContact CD1-CA 3.44Å; L174-H419 HydrophobicContact CD1-CB 3.61Å; L174-H419 VanDerWaalsContact CD1-CG 3.48Å; S400-H419 PolarHBondContact OG-NE2 2.94Å; S415-H419 WeakPolarHBondContact O-CB 3.4Å; S415-H419 PolarHBondContact O-N 2.79Å; L416-H419 PolarHBondContact O-N 3.25Å; H419-A421 VanDerWaalsContact C-N 3.34Å; H419-V422 PolarHBondContact O-N 3.33Å; H419-M423 WeakPolarHBondContact O-CG 3.39Å; H419-M423 PolarHBondContact O-N 2.96Å; H419-V441 PolarHBondContact CE1-O 2.8Å; H419-V441 PolarHBondContact NE2-O 2.7Å; H419-Y455 VanDerWaalsContact CB-OH 3.31Å; H419-Y455 WeakPolarHBondContact CB-OH 3.44Å; H419-Y455 AromaticContact ND1-CE1 3.69Å; H419-Y455 AromaticContact ND1-CZ 3.72Å; H419-Y455 PolarHBondContact ND1-OH 3.4Å; H419-L459 HydrophobicContact CB-CD1 4.26Å; H419-L459 VanDerWaalsContact CE1-CD2 3.44Å; H419-L459 WeakPolarHBondContact CE1-CD2 3.33Å; H419-L459 WeakPolarHBondContact ND1-CD2 3.35Å
420	L	98.6	Very high	98	Very high	30 Å²	30	26.1 Å²	26.1	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-46.8	173.9	-67.5	168	0	0	0	110.6	L416 T417 H418 V422 M423 D424 T458 L459 H462	L416-L420 HydrophobicContact CD1-CD1 4.38Å; L416-L420 HydrophobicContact CD1-CG 4.24Å; L416-L420 HydrophobicContact CG-CD1 4.16Å; L416-L420 HydrophobicContact CG-CG 4.48Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.44Å; L416-L420 PolarHBondContact O-N 2.95Å; T417-L420 PolarHBondContact O-N 3.45Å; H418-L420 PolarHBondContact O-N 3.14Å; L420-V422 PolarHBondContact O-N 3.04Å; L420-M423 PolarHBondContact O-N 3.33Å; L420-M423 VanDerWaalsContact O-N 3.14Å; L420-D424 PolarHBondContact O-N 2.92Å; L420-T458 HydrophobicContact CD1-CG2 4.5Å; L420-T458 HydrophobicContact CD2-CG2 4.49Å; L420-L459 HydrophobicContact CD2-CD1 3.91Å; L420-L459 HydrophobicContact CG-CD1 4.48Å; L420-H462 HydrophobicContact CD2-CB 3.42Å; L420-H462 VanDerWaalsContact CD2-CB 3.42Å; L420-H462 VanDerWaalsContact CD2-CD2 3.48Å; L420-H462 WeakPolarHBondContact CD2-CD2 3.25Å; L420-H462 VanDerWaalsContact CD2-CG 3.47Å
421	A	97.8	Very high	98.1	Very high	38 Å²	38	27.2 Å²	27.2	31%	0.314	17%	0.165	S	C	.	.	H	α-helix	trans	-61.6	-40.7	177	0	0	0	0	0	112.7	T417 H418 H419 M423 D424 E425	T417-A421 PolarHBondContact O-N 2.92Å; T417-A421 VanDerWaalsContact O-N 3.14Å; H418-A421 WeakPolarHBondContact O-CB 3.49Å; H418-A421 PolarHBondContact O-N 2.94Å; H419-A421 VanDerWaalsContact C-N 3.34Å; A421-M423 VanDerWaalsContact C-N 3.32Å; A421-M423 PolarHBondContact O-N 3.42Å; A421-D424 WeakPolarHBondContact O-CB 3.47Å; A421-D424 PolarHBondContact O-N 2.9Å; A421-E425 WeakPolarHBondContact O-CG 3.28Å; A421-E425 PolarHBondContact O-N 3.36Å
422	V	98.6	Very high	98.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-38.9	174.6	170.5	0	0	0	0	111.6	L141 L174 P401 H418 H419 L420 E425 L426	L141-V422 HydrophobicContact CD1-CG1 4.04Å; L174-V422 HydrophobicContact CD1-CB 4.29Å; L174-V422 HydrophobicContact CD1-CG2 4.09Å; P401-V422 HydrophobicContact CG-CG1 3.91Å; H418-V422 WeakPolarHBondContact NE2-CG2 3.34Å; H418-V422 WeakPolarHBondContact O-CG2 3.46Å; H418-V422 PolarHBondContact O-N 3.4Å; H419-V422 PolarHBondContact O-N 3.33Å; L420-V422 PolarHBondContact O-N 3.04Å; V422-E425 PolarHBondContact O-N 2.94Å; V422-L426 WeakPolarHBondContact O-CB 3.25Å; V422-L426 PolarHBondContact O-N 3.43Å
423	M	98.8	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-35.9	173.7	-72.1	-51.5	-54.9	0	0	112.6	S400 H419 L420 A421 E425 L426 V427 V441 L459 T463	S400-M423 VanDerWaalsContact CB-SD 3.52Å; H419-M423 WeakPolarHBondContact O-CG 3.39Å; H419-M423 PolarHBondContact O-N 2.96Å; L420-M423 PolarHBondContact O-N 3.33Å; L420-M423 VanDerWaalsContact O-N 3.14Å; A421-M423 VanDerWaalsContact C-N 3.32Å; A421-M423 PolarHBondContact O-N 3.42Å; M423-E425 VanDerWaalsContact C-N 3.34Å; M423-L426 HydrophobicContact CE-CD2 4.04Å; M423-L426 HydrophobicContact SD-CD2 4.13Å; M423-V427 HydrophobicContact CE-CG2 4.22Å; M423-V427 WeakPolarHBondContact O-CB 3.23Å; M423-V427 WeakPolarHBondContact O-CG2 3.46Å; M423-V427 PolarHBondContact O-N 2.94Å; M423-V441 HydrophobicContact CE-CG1 4.04Å; M423-V441 HydrophobicContact SD-CB 4.42Å; M423-V441 HydrophobicContact SD-CG1 4.13Å; M423-L459 HydrophobicContact CB-CD1 4.45Å; M423-L459 HydrophobicContact CG-CD1 3.65Å; M423-L459 HydrophobicContact CG-CG 4.47Å; M423-T463 HydrophobicContact CE-CG2 3.57Å
424	D	98.4	Very high	98.4	Very high	14 Å²	14	21.1 Å²	21.1	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-47.4	170.8	-73.5	-66.1	0	0	0	110.8	L17 L420 A421 R428 H462 L466	L17-D424 HydrophobicContact CD1-CB 3.87Å; L420-D424 PolarHBondContact O-N 2.92Å; A421-D424 WeakPolarHBondContact O-CB 3.47Å; A421-D424 PolarHBondContact O-N 2.9Å; D424-R428 WeakPolarHBondContact O-CB 3.29Å; D424-R428 PolarHBondContact O-N 3.15Å; D424-H462 VanDerWaalsContact CG-NE2 3.26Å; D424-H462 IonicContact OD1-CE1 2.94Å; D424-H462 IonicContact OD1-NE2 4Å; D424-H462 PolarHBondContact OD1-NE2 2.9Å; D424-H462 IonicContact OD2-CE1 3.86Å; D424-H462 IonicContact OD2-NE2 3.75Å; D424-H462 PolarHBondContact OD2-NE2 3.33Å; D424-L466 HydrophobicContact CB-CD1 4.46Å; D424-L466 WeakPolarHBondContact OD1-CD1 3.45Å; D424-L466 WeakPolarHBondContact OD1-CD2 3.34Å
425	E	98.5	Very high	98.6	Very high	21 Å²	21	17.9 Å²	17.9	10%	0.098	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-46.4	179.1	-72.7	-174.9	-121.1	0	0	113.1	L17 H136 L141 A421 V422 M423 R428 R429	L17-E425 HydrophobicContact CD1-CB 4.49Å; L17-E425 HydrophobicContact CD1-CG 3.58Å; H136-E425 IonicContact CD2-OE2 3.67Å; H136-E425 IonicContact CE1-OE2 2.75Å; H136-E425 IonicContact NE2-OE1 3.64Å; H136-E425 IonicContact NE2-OE2 3.44Å; H136-E425 PolarHBondContact NE2-OE2 3.33Å; L141-E425 HydrophobicContact CD1-CB 3.64Å; L141-E425 HydrophobicContact CD2-CB 4.47Å; L141-E425 HydrophobicContact CG-CB 4.45Å; A421-E425 WeakPolarHBondContact O-CG 3.28Å; A421-E425 PolarHBondContact O-N 3.36Å; V422-E425 PolarHBondContact O-N 2.94Å; M423-E425 VanDerWaalsContact C-N 3.34Å; E425-R428 PolarHBondContact O-N 3.19Å; E425-R429 WeakPolarHBondContact O-CB 3.4Å; E425-R429 PolarHBondContact O-N 3.36Å
426	L	98.8	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-55.1	178.6	175.5	53.5	0	0	0	111.2	L141 P380 V422 M423 R428 R429 D430 W439	L141-L426 HydrophobicContact CD2-CB 4.49Å; P380-L426 HydrophobicContact CB-CD1 3.62Å; P380-L426 HydrophobicContact CG-CD1 3.49Å; P380-L426 VanDerWaalsContact CG-CD1 3.49Å; P380-L426 HydrophobicContact CG-CD2 4.1Å; P380-L426 HydrophobicContact CG-CG 4.26Å; V422-L426 WeakPolarHBondContact O-CB 3.25Å; V422-L426 PolarHBondContact O-N 3.43Å; M423-L426 HydrophobicContact CE-CD2 4.04Å; M423-L426 HydrophobicContact SD-CD2 4.13Å; L426-R428 VanDerWaalsContact C-N 3.32Å; L426-R428 PolarHBondContact O-N 3.27Å; L426-R429 PolarHBondContact O-N 2.94Å; L426-D430 VanDerWaalsContact CD1-OD2 3.28Å; L426-D430 WeakPolarHBondContact CD1-OD2 3.25Å; L426-D430 PolarHBondContact O-N 2.77Å; L426-W439 HydrophobicContact CD1-CZ3 4.33Å; L426-W439 HydrophobicContact CD2-CE3 4.42Å; L426-W439 HydrophobicContact CG-CE3 4.3Å; L426-W439 HydrophobicContact CG-CZ3 4.06Å
427	V	98.8	Very high	98.6	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-40.5	-179.5	176.5	0	0	0	0	110.4	M423 R429 D430 K431 W439 T463 L466 D467	M423-V427 HydrophobicContact CE-CG2 4.22Å; M423-V427 WeakPolarHBondContact O-CB 3.23Å; M423-V427 WeakPolarHBondContact O-CG2 3.46Å; M423-V427 PolarHBondContact O-N 2.94Å; V427-R429 VanDerWaalsContact C-N 3.29Å; V427-R429 PolarHBondContact O-N 3.24Å; V427-D430 PolarHBondContact O-N 3.05Å; V427-K431 HydrophobicContact CG1-CB 4.43Å; V427-K431 WeakPolarHBondContact O-CA 3.2Å; V427-K431 WeakPolarHBondContact O-CB 3.45Å; V427-K431 WeakPolarHBondContact O-CG 3.1Å; V427-K431 PolarHBondContact O-N 2.97Å; V427-W439 HydrophobicContact CG1-CZ2 4.3Å; V427-W439 HydrophobicContact CG2-CD2 4.16Å; V427-W439 HydrophobicContact CG2-CE3 4.38Å; V427-W439 HydrophobicContact CG2-CH2 4.47Å; V427-W439 HydrophobicContact CG2-CZ2 4.25Å; V427-T463 HydrophobicContact CG2-CG2 4.25Å; V427-L466 HydrophobicContact CB-CB 4.26Å; V427-L466 HydrophobicContact CB-CD1 4.31Å; V427-L466 HydrophobicContact CG1-CB 3.86Å; V427-L466 HydrophobicContact CG2-CB 4.45Å; V427-L466 HydrophobicContact CG2-CD1 4.32Å; V427-D467 HydrophobicContact CG1-CB 3.81Å
428	R	98.3	Very high	98.7	Very high	34 Å²	34	12.2 Å²	12.2	13%	0.128	6%	0.064	C	C	.	.	H	α-helix	trans	-57.7	-42.5	176.2	177.5	178.9	63.2	160.4	-2.8	111.9	T19 M21 D424 E425 L426 K431	T19-R428 WeakPolarHBondContact O-CD 3.31Å; T19-R428 PolarHBondContact O-NH1 3.07Å; M21-R428 HydrophobicContact CB-CG 4.37Å; D424-R428 WeakPolarHBondContact O-CB 3.29Å; D424-R428 PolarHBondContact O-N 3.15Å; E425-R428 PolarHBondContact O-N 3.19Å; L426-R428 VanDerWaalsContact C-N 3.32Å; L426-R428 PolarHBondContact O-N 3.27Å; R428-K431 WeakPolarHBondContact O-CE 3.39Å
429	R	98.6	Very high	98.7	Very high	16 Å²	16	11.3 Å²	11.3	6%	0.06	6%	0.06	C	C	.	.	H	α-helix	trans	-67.4	-47.4	179.1	-166.4	-173	72	160.2	6.3	111.1	H140 P142 R209 Y381 E383 E425 L426 V427	H140-R429 PolarHBondContact O-NH1 2.87Å; P142-R429 HydrophobicContact CG-CG 4.32Å; R209-R429 VanDerWaalsContact NH1-NH1 3.17Å; Y381-R429 PolarHBondContact O-NH1 2.93Å; Y381-R429 PolarHBondContact O-NH2 3.34Å; E383-R429 HydrophobicContact CG-CG 4.11Å; E425-R429 WeakPolarHBondContact O-CB 3.4Å; E425-R429 PolarHBondContact O-N 3.36Å; L426-R429 PolarHBondContact O-N 2.94Å; V427-R429 VanDerWaalsContact C-N 3.29Å; V427-R429 PolarHBondContact O-N 3.24Å
430	D	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-109.7	-3.2	-160.7	-60.9	-26.8	0	0	0	115.6	L386 D398 L426 V427 N432 H433 W439	L386-D430 HydrophobicContact CD1-CB 4.01Å; L386-D430 WeakPolarHBondContact CD1-OD1 3.18Å; L386-D430 WeakPolarHBondContact CD1-OD2 3.3Å; D398-D430 WeakPolarHBondContact OD2-CB 3.36Å; D398-D430 VanDerWaalsContact OD2-OD2 3.13Å; L426-D430 VanDerWaalsContact CD1-OD2 3.28Å; L426-D430 WeakPolarHBondContact CD1-OD2 3.25Å; L426-D430 PolarHBondContact O-N 2.77Å; V427-D430 PolarHBondContact O-N 3.05Å; D430-N432 PolarHBondContact O-N 3.49Å; D430-H433 PolarHBondContact O-N 2.68Å; D430-H433 IonicContact OD1-CD2 3.66Å; D430-H433 IonicContact OD1-NE2 3.96Å; D430-W439 HydrophobicContact CB-CH2 3.81Å; D430-W439 HydrophobicContact CB-CZ3 4.08Å
431	K	98.7	Very high	98.7	Very high	28 Å²	28	9.9 Å²	9.9	12%	0.122	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-29.9	-179	57.5	-172.9	176.3	-176.9	0	115.6	D223 T225 V427 R428 R470	D223-K431 WeakPolarHBondContact OD1-CE 3.42Å; D223-K431 IonicContact OD1-NZ 3.7Å; D223-K431 PolarHBondContact OD1-NZ 3.29Å; D223-K431 IonicContact OD2-NZ 2.74Å; D223-K431 PolarHBondContact OD2-NZ 3.18Å; T225-K431 HydrophobicContact CG2-CD 4.34Å; T225-K431 WeakPolarHBondContact OG1-CE 3.38Å; T225-K431 PolarHBondContact OG1-NZ 3.03Å; V427-K431 HydrophobicContact CG1-CB 4.43Å; V427-K431 WeakPolarHBondContact O-CA 3.2Å; V427-K431 WeakPolarHBondContact O-CB 3.45Å; V427-K431 WeakPolarHBondContact O-CG 3.1Å; V427-K431 PolarHBondContact O-N 2.97Å; R428-K431 WeakPolarHBondContact O-CE 3.39Å; K431-R470 PolarHBondContact O-NH1 3.1Å; K431-R470 PolarHBondContact O-NH2 3.21Å
432	N	98.9	Very high	98.8	Very high	24 Å²	24	8.1 Å²	8.1	13%	0.128	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.2	-174.8	-65.3	-45.1	0	0	0	114.2	I224 V226 L315 D430 P434	I224-N432 PolarHBondContact O-ND2 3.38Å; V226-N432 PolarHBondContact N-OD1 2.92Å; L315-N432 HydrophobicContact CD1-CB 4.3Å; L315-N432 HydrophobicContact CD2-CB 4.08Å; D430-N432 PolarHBondContact O-N 3.49Å; N432-P434 VanDerWaalsContact O-CD 3.22Å; N432-P434 WeakPolarHBondContact O-CD 3.45Å
433	H	98.9	Very high	98.8	Very high	22 Å²	22	8 Å²	8	10%	0.102	4%	0.037	C	C	.	.			trans	-73.3	116.6	178.1	-74.8	-63.6	0	0	0	110.6	R320 D390 D430 S435 V436 R470	R320-H433 PolarHBondContact NH2-O 2.9Å; D390-H433 IonicContact OD1-ND1 3.8Å; D390-H433 IonicContact OD2-CE1 2.78Å; D390-H433 IonicContact OD2-CG 3.54Å; D390-H433 IonicContact OD2-ND1 3.74Å; D390-H433 PolarHBondContact OD2-ND1 2.87Å; D430-H433 PolarHBondContact O-N 2.68Å; D430-H433 IonicContact OD1-CD2 3.66Å; D430-H433 IonicContact OD1-NE2 3.96Å; H433-S435 PolarHBondContact O-N 2.93Å; H433-V436 HydrophobicContact CB-CB 4.3Å; H433-V436 HydrophobicContact CB-CG2 3.79Å; H433-V436 PolarHBondContact O-N 3.44Å; H433-R470 PolarHBondContact O-NH2 2.88Å
434	P	98.9	Very high	98.8	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.019	5%	0.045	C	C	.	.	S	Bend	trans	-62.7	-29.7	173.5	25	-36.6	0	0	0	112.7	W281 L293 R320 D390 N432	W281-P434 HydrophobicContact CB-CB 4.49Å; W281-P434 HydrophobicContact CD2-CB 3.98Å; W281-P434 HydrophobicContact CG-CB 3.94Å; W281-P434 HydrophobicContact CG-CG 4.31Å; L293-P434 HydrophobicContact CD2-CG 3.79Å; R320-P434 HydrophobicContact CG-CB 4.16Å; R320-P434 PolarHBondContact NE-O 3.49Å; R320-P434 PolarHBondContact NH2-O 2.9Å; D390-P434 HydrophobicContact CB-CG 4.12Å; D390-P434 VanDerWaalsContact CG-CD 3.45Å; D390-P434 WeakPolarHBondContact OD1-CD 3.37Å; D390-P434 WeakPolarHBondContact OD1-CG 3.46Å; N432-P434 VanDerWaalsContact O-CD 3.22Å; N432-P434 WeakPolarHBondContact O-CD 3.45Å
435	S	98.9	Very high	98.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-65	-34.5	177.9	54.1	0	0	0	0	113.7	C389 D390 I394 V395 V396 H433 V437	C389-S435 VanDerWaalsContact CB-CB 3.46Å; C389-S435 WeakPolarHBondContact CB-OG 3.47Å; D390-S435 WeakPolarHBondContact OD1-CB 3.44Å; D390-S435 PolarHBondContact OD1-N 2.91Å; D390-S435 PolarHBondContact OD1-OG 3.24Å; I394-S435 WeakPolarHBondContact O-CB 3.47Å; V395-S435 CarbonylContact C-O 3.53Å; V395-S435 WeakPolarHBondContact CA-O 3.21Å; V396-S435 PolarHBondContact N-O 2.66Å; H433-S435 PolarHBondContact O-N 2.93Å; S435-V437 PolarHBondContact O-N 2.9Å
436	V	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.7	173	179.8	0	0	0	0	108	R320 L386 V396 D398 H433 W439 R470	R320-V436 PolarHBondContact NH2-O 3.41Å; L386-V436 HydrophobicContact CD1-CG2 4.35Å; L386-V436 HydrophobicContact CD2-CG2 4.33Å; V396-V436 HydrophobicContact CB-CG2 4.35Å; D398-V436 HydrophobicContact CB-CG1 3.67Å; D398-V436 HydrophobicContact CB-CG2 4.1Å; H433-V436 HydrophobicContact CB-CB 4.3Å; H433-V436 HydrophobicContact CB-CG2 3.79Å; H433-V436 PolarHBondContact O-N 3.44Å; V436-W439 HydrophobicContact CG1-CD2 4.42Å; V436-W439 HydrophobicContact CG1-CE3 4.15Å; V436-W439 HydrophobicContact CG1-CH2 3.78Å; V436-W439 HydrophobicContact CG1-CZ2 4.06Å; V436-W439 HydrophobicContact CG1-CZ3 3.83Å; V436-R470 WeakPolarHBondContact O-CD 3.31Å; V436-R470 PolarHBondContact O-NE 3.32Å
437	V	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-11.6	-179.3	-58.5	0	0	0	0	113.2	V322 F329 I331 F338 V395 V396 S435 P471	V322-V437 HydrophobicContact CG1-CB 4.38Å; V322-V437 HydrophobicContact CG2-CB 3.93Å; V322-V437 HydrophobicContact CG2-CG1 3.9Å; F329-V437 HydrophobicContact CE1-CB 4.19Å; F329-V437 HydrophobicContact CE1-CG2 4.07Å; F329-V437 HydrophobicContact CZ-CB 3.89Å; F329-V437 HydrophobicContact CZ-CG2 3.68Å; I331-V437 HydrophobicContact CD1-CG1 4.12Å; F338-V437 HydrophobicContact CE1-CG2 3.89Å; F338-V437 HydrophobicContact CZ-CG2 3.87Å; V395-V437 HydrophobicContact CG1-CB 4.08Å; V395-V437 HydrophobicContact CG1-CG1 3.73Å; V395-V437 HydrophobicContact CG1-CG2 3.21Å; V395-V437 HydrophobicContact CG2-CG1 4.46Å; V396-V437 PolarHBondContact O-N 2.83Å; S435-V437 PolarHBondContact O-N 2.9Å; V437-P471 VanDerWaalsContact O-CD 3.24Å; V437-P471 WeakPolarHBondContact O-CD 3.46Å; V437-P471 WeakPolarHBondContact O-CG 3.43Å
438	M	98.9	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	139.9	-179.1	-173.6	159.5	64.8	0	0	109.8	F329 I397 D398 P471 T473 V491 I530	F329-M438 HydrophobicContact CE2-SD 4.43Å; I397-M438 WeakPolarHBondContact CA-O 3.13Å; I397-M438 HydrophobicContact CD1-CE 3.55Å; I397-M438 HydrophobicContact CG1-CB 4.49Å; I397-M438 HydrophobicContact CG1-CE 3.79Å; I397-M438 HydrophobicContact CG2-CE 4.09Å; D398-M438 PolarHBondContact N-O 3.5Å; M438-P471 WeakPolarHBondContact CA-O 3.49Å; M438-P471 HydrophobicContact CB-CG 4.05Å; M438-P471 HydrophobicContact CG-CB 4.29Å; M438-P471 HydrophobicContact CG-CG 3.93Å; M438-P471 WeakPolarHBondContact CG-O 3.44Å; M438-P471 HydrophobicContact SD-CB 4.29Å; M438-P471 HydrophobicContact SD-CG 4.08Å; M438-T473 HydrophobicContact CE-CG2 3.81Å; M438-T473 HydrophobicContact CG-CG2 4Å; M438-T473 HydrophobicContact SD-CG2 3.88Å; M438-V491 HydrophobicContact CE-CB 4.41Å; M438-V491 HydrophobicContact CE-CG1 4.4Å; M438-V491 HydrophobicContact SD-CB 3.73Å; M438-V491 HydrophobicContact SD-CG1 4.33Å; M438-V491 HydrophobicContact SD-CG2 3.7Å; M438-I530 HydrophobicContact CE-CD1 3.76Å
439	W	98.9	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.5	174.4	-55.5	109.2	0	0	0	110.1	D398 L426 V427 D430 V436 T463 D467 P471 V472 T473	D398-W439 HydrophobicContact CB-CE3 3.84Å; D398-W439 HydrophobicContact CB-CZ3 3.8Å; D398-W439 CarbonylContact O-C 3.37Å; D398-W439 WeakPolarHBondContact O-CA 3.32Å; D398-W439 WeakPolarHBondContact OD2-CZ3 3.49Å; L426-W439 HydrophobicContact CD1-CZ3 4.33Å; L426-W439 HydrophobicContact CD2-CE3 4.42Å; L426-W439 HydrophobicContact CG-CE3 4.3Å; L426-W439 HydrophobicContact CG-CZ3 4.06Å; V427-W439 HydrophobicContact CG1-CZ2 4.3Å; V427-W439 HydrophobicContact CG2-CD2 4.16Å; V427-W439 HydrophobicContact CG2-CE3 4.38Å; V427-W439 HydrophobicContact CG2-CH2 4.47Å; V427-W439 HydrophobicContact CG2-CZ2 4.25Å; D430-W439 HydrophobicContact CB-CH2 3.81Å; D430-W439 HydrophobicContact CB-CZ3 4.08Å; V436-W439 HydrophobicContact CG1-CD2 4.42Å; V436-W439 HydrophobicContact CG1-CE3 4.15Å; V436-W439 HydrophobicContact CG1-CH2 3.78Å; V436-W439 HydrophobicContact CG1-CZ2 4.06Å; V436-W439 HydrophobicContact CG1-CZ3 3.83Å; W439-T463 HydrophobicContact CB-CG2 3.85Å; W439-T463 HydrophobicContact CG-CG2 3.95Å; W439-D467 PolarHBondContact NE1-OD2 3.36Å; W439-P471 PolarHBondContact N-O 2.88Å; W439-P471 VanDerWaalsContact N-O 3.09Å; W439-V472 HydrophobicContact CB-CG2 4.36Å; W439-V472 CarbonylContact O-C 3.54Å; W439-V472 WeakPolarHBondContact O-CA 3.45Å; W439-T473 PolarHBondContact O-N 3.18Å
440	S	98.9	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.1	168.2	172.5	0	0	0	0	109.5	D398 E399 S400 A442 T473 I475	D398-S440 PolarHBondContact O-N 3.44Å; E399-S440 WeakPolarHBondContact CA-O 3.46Å; E399-S440 WeakPolarHBondContact CG-OG 3.26Å; E399-S440 WeakPolarHBondContact OE2-CB 3.44Å; E399-S440 PolarHBondContact OE2-OG 2.82Å; S400-S440 PolarHBondContact N-O 2.71Å; S440-A442 PolarHBondContact OG-O 3.24Å; S440-T473 WeakPolarHBondContact CA-O 3.38Å; S440-I475 VanDerWaalsContact OG-CD1 3.23Å; S440-I475 WeakPolarHBondContact OG-CD1 3.35Å
441	V	98.9	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-7.7	-177.4	-54.3	0	0	0	0	113.7	S400 H419 M423 F456 L459 I460 V472 T473	S400-V441 VanDerWaalsContact OG-C 3.25Å; S400-V441 PolarHBondContact OG-O 2.86Å; H419-V441 PolarHBondContact CE1-O 2.8Å; H419-V441 PolarHBondContact NE2-O 2.7Å; M423-V441 HydrophobicContact CE-CG1 4.04Å; M423-V441 HydrophobicContact SD-CB 4.42Å; M423-V441 HydrophobicContact SD-CG1 4.13Å; V441-F456 HydrophobicContact CG2-CD1 4.16Å; V441-F456 HydrophobicContact CG2-CE1 4.43Å; V441-L459 HydrophobicContact CB-CD2 3.72Å; V441-L459 HydrophobicContact CB-CG 3.99Å; V441-L459 HydrophobicContact CG1-CG 4.27Å; V441-L459 HydrophobicContact CG2-CD2 3.82Å; V441-L459 HydrophobicContact CG2-CG 4.21Å; V441-I460 HydrophobicContact CG2-CG1 4.02Å; V441-V472 HydrophobicContact CG1-CG1 3.69Å; V441-T473 PolarHBondContact N-O 2.98Å
442	A	98.8	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	160.2	178.9	0	0	0	0	0	111.9	G402 S440 P445 F456 Y474 I475	G402-A442 CarbonylContact O-C 3.59Å; G402-A442 WeakPolarHBondContact O-CA 3.25Å; G402-A442 WeakPolarHBondContact O-CB 3.23Å; S440-A442 PolarHBondContact OG-O 3.24Å; A442-P445 HydrophobicContact CB-CG 4.19Å; A442-F456 HydrophobicContact CB-CE1 3.74Å; A442-F456 HydrophobicContact CB-CZ 4.14Å; A442-Y474 WeakPolarHBondContact O-CB 3.16Å; A442-I475 PolarHBondContact O-N 3.2Å
443	N	98.8	Very high	98.2	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.5	168.3	-176.1	79.9	0	0	0	111.3	R375 H378 G402 V403 P445 I475 E533	R375-N443 PolarHBondContact NH1-OD1 3.38Å; H378-N443 PolarHBondContact CE1-ND2 2.92Å; H378-N443 VanDerWaalsContact CE1-ND2 3.31Å; H378-N443 PolarHBondContact CE1-OD1 2.9Å; G402-N443 PolarHBondContact O-N 3.21Å; V403-N443 WeakPolarHBondContact CA-O 3.11Å; V403-N443 HydrophobicContact CB-CB 4.08Å; V403-N443 HydrophobicContact CG2-CB 3.91Å; N443-P445 VanDerWaalsContact C-N 3.33Å; N443-I475 WeakPolarHBondContact OD1-CB 3.11Å; N443-I475 VanDerWaalsContact OD1-CG2 3.23Å; N443-I475 WeakPolarHBondContact OD1-CG2 3.36Å; N443-E533 PolarHBondContact OD1-OE1 2.83Å
444	E	98.4	Very high	98.2	Very high	39 Å²	39	25 Å²	25	18%	0.182	14%	0.135	C	C	.	.	S	Bend	trans	45.2	47.4	175	-61.4	-178.4	156.2	0	0	114.5	K406 I475 D477 N495	K406-E444 WeakPolarHBondContact CE-O 3.34Å; K406-E444 PolarHBondContact NZ-O 2.98Å; E444-I475 PolarHBondContact N-O 3.25Å; E444-D477 HydrophobicContact CB-CB 4.32Å; E444-D477 HydrophobicContact CG-CB 3.8Å; E444-N495 VanDerWaalsContact CD-ND2 3.33Å; E444-N495 WeakPolarHBondContact CG-ND2 3.07Å; E444-N495 VanDerWaalsContact OE1-CB 3.26Å; E444-N495 WeakPolarHBondContact OE1-CB 3.41Å; E444-N495 PolarHBondContact OE1-ND2 3.19Å
445	P	98.3	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.			trans	-66.9	158	170.7	33.7	-35.3	0	0	0	109.3	I405 A442 N443 A447 F456 Y474	I405-P445 HydrophobicContact CB-CB 4.08Å; A442-P445 HydrophobicContact CB-CG 4.19Å; N443-P445 VanDerWaalsContact C-N 3.33Å; P445-A447 HydrophobicContact CG-CB 4.32Å; P445-A447 PolarHBondContact O-N 2.67Å; P445-F456 HydrophobicContact CB-CE2 3.82Å; P445-F456 HydrophobicContact CB-CZ 3.46Å; P445-F456 VanDerWaalsContact CB-CZ 3.46Å; P445-F456 HydrophobicContact CG-CE1 4.25Å; P445-F456 HydrophobicContact CG-CE2 3.66Å; P445-F456 HydrophobicContact CG-CZ 3.35Å; P445-Y474 HydrophobicContact CG-CD2 3.78Å; P445-Y474 HydrophobicContact CG-CE2 3.91Å
446	A	98	Very high	98.2	Very high	7 Å²	7	25 Å²	25	6%	0.058	14%	0.135	C	C	.	.			trans	-69.7	68.9	169.1	0	0	0	0	0	111.1	I405 F411 E448 M449	I405-A446 PolarHBondContact O-N 2.96Å; F411-A446 HydrophobicContact CE2-CB 4.45Å; F411-A446 HydrophobicContact CZ-CB 4.41Å; A446-E448 WeakPolarHBondContact CA-OE2 3.42Å; A446-E448 PolarHBondContact O-N 2.89Å; A446-M449 HydrophobicContact CB-CE 3.68Å; A446-M449 HydrophobicContact CB-CG 3.89Å; A446-M449 HydrophobicContact CB-SD 3.98Å; A446-M449 WeakPolarHBondContact O-CB 3.47Å; A446-M449 WeakPolarHBondContact O-CG 3.42Å; A446-M449 PolarHBondContact O-N 3.2Å; A446-M449 VanDerWaalsContact O-N 3.14Å
447	A	97.3	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.3	-168.9	0	0	0	0	0	113.5	P445 M449 Y474 K484	P445-A447 HydrophobicContact CG-CB 4.32Å; P445-A447 PolarHBondContact O-N 2.67Å; A447-M449 VanDerWaalsContact C-N 3.33Å; A447-Y474 HydrophobicContact CB-CE2 4.17Å; A447-K484 WeakPolarHBondContact O-CB 3.46Å; A447-K484 VanDerWaalsContact O-CG 3.29Å; A447-K484 WeakPolarHBondContact O-CG 3.37Å; A447-K484 PolarHBondContact O-N 2.78Å
448	E	97.5	Very high	98.1	Very high	77 Å²	77	32.5 Å²	32.5	36%	0.36	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-18	173	72.4	-85.4	-151.2	0	0	113.4	A446 S478 R482	A446-E448 WeakPolarHBondContact CA-OE2 3.42Å; A446-E448 PolarHBondContact O-N 2.89Å; E448-S478 PolarHBondContact OE2-OG 3.31Å; E448-R482 HydrophobicContact CB-CB 3.96Å
449	M	96.7	Very high	98.1	Very high	47 Å²	47	32.5 Å²	32.5	23%	0.232	17%	0.172	C	C	.	.	S	Bend	trans	-66.2	142.1	-176.7	-66.8	-164.9	179	0	0	111.2	K406 I408 F411 A446 A447 P451 A452	K406-M449 WeakPolarHBondContact O-CE 3.29Å; I408-M449 HydrophobicContact CB-SD 3.85Å; I408-M449 HydrophobicContact CG1-SD 4.11Å; F411-M449 HydrophobicContact CD2-SD 4.44Å; F411-M449 HydrophobicContact CE2-SD 3.99Å; A446-M449 HydrophobicContact CB-CE 3.68Å; A446-M449 HydrophobicContact CB-CG 3.89Å; A446-M449 HydrophobicContact CB-SD 3.98Å; A446-M449 WeakPolarHBondContact O-CB 3.47Å; A446-M449 WeakPolarHBondContact O-CG 3.42Å; A446-M449 PolarHBondContact O-N 3.2Å; A446-M449 VanDerWaalsContact O-N 3.14Å; A447-M449 VanDerWaalsContact C-N 3.33Å; M449-P451 VanDerWaalsContact C-CD 3.47Å; M449-P451 HydrophobicContact CB-CG 4.34Å; M449-A452 WeakPolarHBondContact O-CB 3.48Å; M449-A452 PolarHBondContact O-N 2.91Å
450	P	96	Very high	98.1	Very high	108 Å²	108	32.7 Å²	32.7	70%	0.701	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-43.5	178.9	-27.2	34.4	0	0	0	116.1	A452	P450-A452 VanDerWaalsContact C-N 3.26Å; P450-A452 PolarHBondContact O-N 2.7Å
451	P	97.4	Very high	98.1	Very high	42 Å²	42	40.1 Å²	40.1	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-19	179.2	28.3	-37.1	0	0	0	114.3	I408 F411 M449 E453 N454 Y455	I408-P451 HydrophobicContact CD1-CG 4.47Å; I408-P451 HydrophobicContact CG1-CG 3.93Å; F411-P451 HydrophobicContact CB-CB 3.81Å; F411-P451 HydrophobicContact CB-CG 3.83Å; F411-P451 HydrophobicContact CD2-CG 4.36Å; F411-P451 HydrophobicContact CG-CB 4.42Å; F411-P451 HydrophobicContact CG-CG 4.1Å; M449-P451 VanDerWaalsContact C-CD 3.47Å; M449-P451 HydrophobicContact CB-CG 4.34Å; P451-E453 PolarHBondContact O-N 3.2Å; P451-N454 PolarHBondContact O-N 3.02Å; P451-Y455 WeakPolarHBondContact O-CB 3.35Å; P451-Y455 PolarHBondContact O-N 2.99Å; P451-Y455 VanDerWaalsContact O-N 3.14Å
452	A	97.5	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-32.7	-177.7	0	0	0	0	0	112.4	F411 M449 P450 Y455 F456 K484	F411-A452 HydrophobicContact CD1-CB 4.27Å; F411-A452 HydrophobicContact CE1-CB 3.79Å; F411-A452 HydrophobicContact CZ-CB 4.34Å; M449-A452 WeakPolarHBondContact O-CB 3.48Å; M449-A452 PolarHBondContact O-N 2.91Å; P450-A452 VanDerWaalsContact C-N 3.26Å; P450-A452 PolarHBondContact O-N 2.7Å; A452-Y455 PolarHBondContact O-N 2.81Å; A452-F456 HydrophobicContact CB-CD2 4.09Å; A452-F456 HydrophobicContact CB-CE2 4.18Å; A452-F456 VanDerWaalsContact O-CD2 3.28Å; A452-F456 WeakPolarHBondContact O-CD2 3.19Å; A452-F456 PolarHBondContact O-N 3.25Å; A452-K484 HydrophobicContact CB-CB 4.46Å
453	E	97.6	Very high	98.1	Very high	97 Å²	97	41.6 Å²	41.6	45%	0.453	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-54.4	178.6	-168.8	177.5	170	0	0	111.6	P451 K457 K484 F488	P451-E453 PolarHBondContact O-N 3.2Å; E453-K457 WeakPolarHBondContact O-CB 3.41Å; E453-K457 PolarHBondContact O-N 3.14Å; E453-K484 HydrophobicContact CB-CB 3.92Å; E453-F488 HydrophobicContact CG-CE2 3.87Å; E453-F488 HydrophobicContact CG-CZ 3.85Å; E453-F488 WeakPolarHBondContact O-CE2 3.39Å
454	N	98.3	Very high	98.1	Very high	103 Å²	103	44.7 Å²	44.7	55%	0.551	23%	0.225	S	C	*	.	H	α-helix	trans	-70.5	-37.3	-178.1	-174	65.7	0	0	0	111.7	P451 T458	P451-N454 PolarHBondContact O-N 3.02Å; N454-T458 WeakPolarHBondContact O-CB 3.49Å; N454-T458 PolarHBondContact O-N 2.91Å; N454-T458 PolarHBondContact O-OG1 3.45Å
455	Y	98.6	Very high	98.1	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-58.6	177.8	-169.7	-80.8	0	0	0	110.9	F411 S415 L416 H419 P451 A452 T458 L459	F411-Y455 HydrophobicContact CB-CD2 4.24Å; F411-Y455 HydrophobicContact CD1-CD1 4.35Å; F411-Y455 HydrophobicContact CD1-CD2 4.07Å; F411-Y455 AromaticContact CD1-CG 3.89Å; F411-Y455 HydrophobicContact CD1-CG 3.89Å; S415-Y455 PolarHBondContact O-OH 3.42Å; L416-Y455 HydrophobicContact CB-CD2 3.87Å; L416-Y455 HydrophobicContact CB-CE2 3.62Å; L416-Y455 HydrophobicContact CD1-CD1 4.36Å; L416-Y455 HydrophobicContact CD1-CD2 3.87Å; L416-Y455 HydrophobicContact CD1-CE1 4.35Å; L416-Y455 HydrophobicContact CD1-CE2 3.89Å; L416-Y455 HydrophobicContact CD1-CG 4.12Å; L416-Y455 HydrophobicContact CG-CD2 4.3Å; L416-Y455 HydrophobicContact CG-CE2 4.31Å; H419-Y455 VanDerWaalsContact CB-OH 3.31Å; H419-Y455 WeakPolarHBondContact CB-OH 3.44Å; H419-Y455 AromaticContact ND1-CE1 3.69Å; H419-Y455 AromaticContact ND1-CZ 3.72Å; H419-Y455 PolarHBondContact ND1-OH 3.4Å; P451-Y455 WeakPolarHBondContact O-CB 3.35Å; P451-Y455 PolarHBondContact O-N 2.99Å; P451-Y455 VanDerWaalsContact O-N 3.14Å; A452-Y455 PolarHBondContact O-N 2.81Å; Y455-T458 PolarHBondContact O-N 2.97Å; Y455-L459 HydrophobicContact CE1-CD2 3.97Å; Y455-L459 WeakPolarHBondContact O-CB 3.44Å; Y455-L459 PolarHBondContact O-N 2.94Å
456	F	98.6	Very high	98.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-72.8	-32.3	-176.8	-71.4	-62.6	0	0	0	113.3	F411 V441 A442 P445 A452 T458 L459 I460	F411-F456 AromaticContact CE1-CE2 3.89Å; F411-F456 HydrophobicContact CE1-CE2 3.89Å; F411-F456 HydrophobicContact CE1-CZ 4.36Å; V441-F456 HydrophobicContact CG2-CD1 4.16Å; V441-F456 HydrophobicContact CG2-CE1 4.43Å; A442-F456 HydrophobicContact CB-CE1 3.74Å; A442-F456 HydrophobicContact CB-CZ 4.14Å; P445-F456 HydrophobicContact CB-CE2 3.82Å; P445-F456 HydrophobicContact CB-CZ 3.46Å; P445-F456 VanDerWaalsContact CB-CZ 3.46Å; P445-F456 HydrophobicContact CG-CE1 4.25Å; P445-F456 HydrophobicContact CG-CE2 3.66Å; P445-F456 HydrophobicContact CG-CZ 3.35Å; A452-F456 HydrophobicContact CB-CD2 4.09Å; A452-F456 HydrophobicContact CB-CE2 4.18Å; A452-F456 VanDerWaalsContact O-CD2 3.28Å; A452-F456 WeakPolarHBondContact O-CD2 3.19Å; A452-F456 PolarHBondContact O-N 3.25Å; F456-T458 VanDerWaalsContact C-N 3.27Å; F456-T458 PolarHBondContact O-N 2.89Å; F456-L459 HydrophobicContact CD1-CD2 4.34Å; F456-L459 HydrophobicContact CE1-CD2 4.41Å; F456-L459 PolarHBondContact O-N 3.07Å; F456-I460 HydrophobicContact CB-CD1 4.26Å; F456-I460 VanDerWaalsContact O-CB 3.25Å; F456-I460 WeakPolarHBondContact O-CB 3.35Å; F456-I460 WeakPolarHBondContact O-CD1 3.31Å; F456-I460 VanDerWaalsContact O-CG1 3.26Å; F456-I460 WeakPolarHBondContact O-CG1 3.4Å; F456-I460 PolarHBondContact O-N 3.19Å
457	K	98.7	Very high	98.1	Very high	111 Å²	111	49.2 Å²	49.2	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-57.4	-44.1	170.8	-178	179.5	179.9	179.8	0	111.7	E453 K461 F488	E453-K457 WeakPolarHBondContact O-CB 3.41Å; E453-K457 PolarHBondContact O-N 3.14Å; K457-K461 WeakPolarHBondContact O-CB 3.47Å; K457-K461 PolarHBondContact O-N 3.48Å; K457-F488 HydrophobicContact CB-CD1 4.1Å; K457-F488 HydrophobicContact CB-CD2 3.93Å; K457-F488 HydrophobicContact CB-CE1 3.89Å; K457-F488 HydrophobicContact CB-CE2 3.72Å; K457-F488 HydrophobicContact CB-CG 4.13Å; K457-F488 HydrophobicContact CB-CZ 3.7Å; K457-F488 HydrophobicContact CD-CE1 3.82Å; K457-F488 HydrophobicContact CD-CZ 3.95Å; K457-F488 HydrophobicContact CG-CD1 3.97Å; K457-F488 HydrophobicContact CG-CE1 3.71Å; K457-F488 HydrophobicContact CG-CE2 4.46Å; K457-F488 HydrophobicContact CG-CG 4.46Å; K457-F488 HydrophobicContact CG-CZ 3.99Å
458	T	98.8	Very high	98.2	Very high	48 Å²	48	54.5 Å²	54.5	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-69.9	-49.1	-178.8	-56.2	0	0	0	0	110.4	L416 L420 N454 Y455 F456 K461 H462	L416-T458 HydrophobicContact CD2-CG2 4.29Å; L420-T458 HydrophobicContact CD1-CG2 4.5Å; L420-T458 HydrophobicContact CD2-CG2 4.49Å; N454-T458 WeakPolarHBondContact O-CB 3.49Å; N454-T458 PolarHBondContact O-N 2.91Å; N454-T458 PolarHBondContact O-OG1 3.45Å; Y455-T458 PolarHBondContact O-N 2.97Å; F456-T458 VanDerWaalsContact C-N 3.27Å; F456-T458 PolarHBondContact O-N 2.89Å; T458-K461 PolarHBondContact O-N 2.71Å; T458-H462 WeakPolarHBondContact O-CB 3.12Å; T458-H462 PolarHBondContact O-N 3.41Å
459	L	98.7	Very high	98.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-50.2	-178.4	-172.2	59.7	0	0	0	112.2	H419 L420 M423 V441 Y455 F456 K461 H462 T463	H419-L459 HydrophobicContact CB-CD1 4.26Å; H419-L459 VanDerWaalsContact CE1-CD2 3.44Å; H419-L459 WeakPolarHBondContact CE1-CD2 3.33Å; H419-L459 WeakPolarHBondContact ND1-CD2 3.35Å; L420-L459 HydrophobicContact CD2-CD1 3.91Å; L420-L459 HydrophobicContact CG-CD1 4.48Å; M423-L459 HydrophobicContact CB-CD1 4.45Å; M423-L459 HydrophobicContact CG-CD1 3.65Å; M423-L459 HydrophobicContact CG-CG 4.47Å; V441-L459 HydrophobicContact CB-CD2 3.72Å; V441-L459 HydrophobicContact CB-CG 3.99Å; V441-L459 HydrophobicContact CG1-CG 4.27Å; V441-L459 HydrophobicContact CG2-CD2 3.82Å; V441-L459 HydrophobicContact CG2-CG 4.21Å; Y455-L459 HydrophobicContact CE1-CD2 3.97Å; Y455-L459 WeakPolarHBondContact O-CB 3.44Å; Y455-L459 PolarHBondContact O-N 2.94Å; F456-L459 HydrophobicContact CD1-CD2 4.34Å; F456-L459 HydrophobicContact CE1-CD2 4.41Å; F456-L459 PolarHBondContact O-N 3.07Å; L459-K461 VanDerWaalsContact C-N 3.33Å; L459-K461 PolarHBondContact O-N 3.09Å; L459-H462 WeakPolarHBondContact O-CB 3.01Å; L459-H462 PolarHBondContact O-N 3.02Å; L459-H462 VanDerWaalsContact O-N 3.15Å; L459-T463 PolarHBondContact O-N 3.2Å; L459-T463 PolarHBondContact O-OG1 2.88Å; L459-T463 VanDerWaalsContact O-OG1 3.07Å
460	I	98.9	Very high	98.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-39.8	179.6	-68.1	165.2	0	0	0	111	V441 F456 H462 K464 V472 Y474 F488 V489	V441-I460 HydrophobicContact CG2-CG1 4.02Å; F456-I460 HydrophobicContact CB-CD1 4.26Å; F456-I460 VanDerWaalsContact O-CB 3.25Å; F456-I460 WeakPolarHBondContact O-CB 3.35Å; F456-I460 WeakPolarHBondContact O-CD1 3.31Å; F456-I460 VanDerWaalsContact O-CG1 3.26Å; F456-I460 WeakPolarHBondContact O-CG1 3.4Å; F456-I460 PolarHBondContact O-N 3.19Å; I460-H462 VanDerWaalsContact C-N 3.33Å; I460-K464 HydrophobicContact CG2-CD 4.22Å; I460-K464 WeakPolarHBondContact O-CG 3.48Å; I460-K464 PolarHBondContact O-N 3.17Å; I460-K464 VanDerWaalsContact O-N 3.08Å; I460-V472 HydrophobicContact CB-CG1 4.31Å; I460-V472 HydrophobicContact CG1-CG1 4.09Å; I460-V472 HydrophobicContact CG2-CB 4.1Å; I460-V472 HydrophobicContact CG2-CG1 3.94Å; I460-Y474 HydrophobicContact CD1-CD1 4.32Å; I460-F488 HydrophobicContact CB-CB 4.48Å; I460-F488 HydrophobicContact CD1-CB 3.71Å; I460-F488 HydrophobicContact CG2-CB 4.44Å; I460-F488 WeakPolarHBondContact CG2-O 3.41Å; I460-V489 HydrophobicContact CD1-CG1 3.85Å
461	K	98.8	Very high	98.4	Very high	157 Å²	157	46.5 Å²	46.5	68%	0.683	25%	0.25	S	S	*	.	H	α-helix	trans	-63.5	-41	175.6	-178.1	-174.8	174.1	-167	0	111.4	K457 T458 L459 K464 A465	K457-K461 WeakPolarHBondContact O-CB 3.47Å; K457-K461 PolarHBondContact O-N 3.48Å; T458-K461 PolarHBondContact O-N 2.71Å; L459-K461 VanDerWaalsContact C-N 3.33Å; L459-K461 PolarHBondContact O-N 3.09Å; K461-K464 PolarHBondContact O-N 2.89Å; K461-A465 PolarHBondContact O-N 3.4Å; K461-A465 VanDerWaalsContact O-N 3.09Å
462	H	98.8	Very high	98.5	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.139	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-51.7	176.8	-175.7	66	0	0	0	111.2	L420 D424 T458 L459 I460 K464 A465 L466	L420-H462 HydrophobicContact CD2-CB 3.42Å; L420-H462 VanDerWaalsContact CD2-CB 3.42Å; L420-H462 VanDerWaalsContact CD2-CD2 3.48Å; L420-H462 WeakPolarHBondContact CD2-CD2 3.25Å; L420-H462 VanDerWaalsContact CD2-CG 3.47Å; D424-H462 VanDerWaalsContact CG-NE2 3.26Å; D424-H462 IonicContact OD1-CE1 2.94Å; D424-H462 IonicContact OD1-NE2 4Å; D424-H462 PolarHBondContact OD1-NE2 2.9Å; D424-H462 IonicContact OD2-CE1 3.86Å; D424-H462 IonicContact OD2-NE2 3.75Å; D424-H462 PolarHBondContact OD2-NE2 3.33Å; T458-H462 WeakPolarHBondContact O-CB 3.12Å; T458-H462 PolarHBondContact O-N 3.41Å; L459-H462 WeakPolarHBondContact O-CB 3.01Å; L459-H462 PolarHBondContact O-N 3.02Å; L459-H462 VanDerWaalsContact O-N 3.15Å; I460-H462 VanDerWaalsContact C-N 3.33Å; H462-K464 VanDerWaalsContact C-N 3.29Å; H462-K464 PolarHBondContact O-N 3.45Å; H462-A465 WeakPolarHBondContact O-CA 3.08Å; H462-A465 WeakPolarHBondContact O-CB 3.48Å; H462-A465 PolarHBondContact O-N 3.43Å; H462-L466 WeakPolarHBondContact O-CG 3.35Å; H462-L466 PolarHBondContact O-N 3.35Å
463	T	98.9	Very high	98.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-42.9	177.5	-51.9	0	0	0	0	112.2	M423 V427 W439 L459 A465 L466 D467 V472	M423-T463 HydrophobicContact CE-CG2 3.57Å; V427-T463 HydrophobicContact CG2-CG2 4.25Å; W439-T463 HydrophobicContact CB-CG2 3.85Å; W439-T463 HydrophobicContact CG-CG2 3.95Å; L459-T463 PolarHBondContact O-N 3.2Å; L459-T463 PolarHBondContact O-OG1 2.88Å; L459-T463 VanDerWaalsContact O-OG1 3.07Å; T463-A465 VanDerWaalsContact C-N 3.29Å; T463-A465 PolarHBondContact O-N 2.93Å; T463-L466 PolarHBondContact O-N 2.95Å; T463-D467 PolarHBondContact O-N 3.18Å; T463-V472 HydrophobicContact CG2-CG1 4.13Å; T463-V472 HydrophobicContact CG2-CG2 3.71Å
464	K	98.8	Very high	98.6	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-29.3	175.4	-72.8	178.4	175.3	-176.3	0	113.8	I460 K461 H462 D467 V472 D490	I460-K464 HydrophobicContact CG2-CD 4.22Å; I460-K464 WeakPolarHBondContact O-CG 3.48Å; I460-K464 PolarHBondContact O-N 3.17Å; I460-K464 VanDerWaalsContact O-N 3.08Å; K461-K464 PolarHBondContact O-N 2.89Å; H462-K464 VanDerWaalsContact C-N 3.29Å; H462-K464 PolarHBondContact O-N 3.45Å; K464-D467 CarbonylContact O-C 3.47Å; K464-V472 HydrophobicContact CG-CB 4.3Å; K464-V472 HydrophobicContact CG-CG2 3.6Å; K464-D490 WeakPolarHBondContact CE-OD2 3.42Å; K464-D490 IonicContact NZ-OD1 3.43Å; K464-D490 PolarHBondContact NZ-OD1 3.33Å; K464-D490 IonicContact NZ-OD2 3.85Å; K464-D490 PolarHBondContact NZ-OD2 3.44Å
465	A	98.6	Very high	98.6	Very high	80 Å²	80	35.2 Å²	35.2	66%	0.661	19%	0.19	S	C	*	.	H	α-helix	trans	-74.5	-32.7	175.6	0	0	0	0	0	111.7	K461 H462 T463	K461-A465 PolarHBondContact O-N 3.4Å; K461-A465 VanDerWaalsContact O-N 3.09Å; H462-A465 WeakPolarHBondContact O-CA 3.08Å; H462-A465 WeakPolarHBondContact O-CB 3.48Å; H462-A465 PolarHBondContact O-N 3.43Å; T463-A465 VanDerWaalsContact C-N 3.29Å; T463-A465 PolarHBondContact O-N 2.93Å
466	L	98.2	Very high	98.6	Very high	53 Å²	53	35.2 Å²	35.2	28%	0.277	19%	0.191	S	C	.	.	H	α-helix	trans	-71.9	-43.7	174.1	-61.2	173.2	0	0	0	112.1	D424 V427 H462 T463	D424-L466 HydrophobicContact CB-CD1 4.46Å; D424-L466 WeakPolarHBondContact OD1-CD1 3.45Å; D424-L466 WeakPolarHBondContact OD1-CD2 3.34Å; V427-L466 HydrophobicContact CB-CB 4.26Å; V427-L466 HydrophobicContact CB-CD1 4.31Å; V427-L466 HydrophobicContact CG1-CB 3.86Å; V427-L466 HydrophobicContact CG2-CB 4.45Å; V427-L466 HydrophobicContact CG2-CD1 4.32Å; H462-L466 WeakPolarHBondContact O-CG 3.35Å; H462-L466 PolarHBondContact O-N 3.35Å; T463-L466 PolarHBondContact O-N 2.95Å
467	D	98.5	Very high	98.6	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.048	21%	0.206	C	C	.	.			trans	-135.3	99.4	178.5	-178.7	16.5	0	0	0	111.9	V427 W439 T463 K464 T469 R470	V427-D467 HydrophobicContact CG1-CB 3.81Å; W439-D467 PolarHBondContact NE1-OD2 3.36Å; T463-D467 PolarHBondContact O-N 3.18Å; K464-D467 CarbonylContact O-C 3.47Å; D467-T469 PolarHBondContact O-N 2.83Å; D467-T469 VanDerWaalsContact OD1-CB 3.26Å; D467-T469 WeakPolarHBondContact OD1-CB 3.42Å; D467-T469 WeakPolarHBondContact OD1-CG2 3.25Å; D467-T469 PolarHBondContact OD1-N 3.25Å; D467-T469 PolarHBondContact OD1-OG1 3.1Å; D467-T469 PolarHBondContact OD2-OG1 3.3Å; D467-R470 IonicContact OD1-NH1 2.69Å; D467-R470 WeakPolarHBondContact OD2-CD 3.36Å; D467-R470 WeakPolarHBondContact OD2-CG 3.35Å; D467-R470 IonicContact OD2-CZ 3.86Å; D467-R470 IonicContact OD2-NE 3.69Å; D467-R470 IonicContact OD2-NH1 2.79Å; D467-R470 PolarHBondContact OD2-NH1 2.73Å
468	P	97.9	Very high	98.4	Very high	111 Å²	111	33.5 Å²	33.5	72%	0.721	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.2	176.1	33.6	-36.2	0	0	0	113.4
469	T	98.1	Very high	98.3	Very high	37 Å²	37	34.6 Å²	34.6	23%	0.227	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-9	-171.7	74.4	0	0	0	0	113.9	V227 D467	V227-T469 HydrophobicContact CB-CG2 4.3Å; V227-T469 HydrophobicContact CG1-CG2 3.57Å; V227-T469 HydrophobicContact CG2-CG2 3.79Å; D467-T469 PolarHBondContact O-N 2.83Å; D467-T469 VanDerWaalsContact OD1-CB 3.26Å; D467-T469 WeakPolarHBondContact OD1-CB 3.42Å; D467-T469 WeakPolarHBondContact OD1-CG2 3.25Å; D467-T469 PolarHBondContact OD1-N 3.25Å; D467-T469 PolarHBondContact OD1-OG1 3.1Å; D467-T469 PolarHBondContact OD2-OG1 3.3Å
470	R	98.7	Very high	98.3	Very high	16 Å²	16	37 Å²	37	6%	0.06	20%	0.202	C	C	.	.	S	Bend	trans	-135.1	147.4	-175.9	-63.1	176.5	-176.6	83.6	-8.5	111.3	R320 K431 H433 V436 D467	R320-R470 VanDerWaalsContact NH2-NE 3.17Å; K431-R470 PolarHBondContact O-NH1 3.1Å; K431-R470 PolarHBondContact O-NH2 3.21Å; H433-R470 PolarHBondContact O-NH2 2.88Å; V436-R470 WeakPolarHBondContact O-CD 3.31Å; V436-R470 PolarHBondContact O-NE 3.32Å; D467-R470 IonicContact OD1-NH1 2.69Å; D467-R470 WeakPolarHBondContact OD2-CD 3.36Å; D467-R470 WeakPolarHBondContact OD2-CG 3.35Å; D467-R470 IonicContact OD2-CZ 3.86Å; D467-R470 IonicContact OD2-NE 3.69Å; D467-R470 IonicContact OD2-NH1 2.79Å; D467-R470 PolarHBondContact OD2-NH1 2.73Å
471	P	98.9	Very high	98.2	Very high	11 Å²	11	39.9 Å²	39.9	7%	0.071	22%	0.223	C	C	.	.			trans	-63.8	159.2	169.3	26.7	-35.8	0	0	0	112.5	V322 V324 F329 V437 M438 W439 D490	V322-P471 HydrophobicContact CG1-CG 4.27Å; V324-P471 HydrophobicContact CG2-CB 3.84Å; V324-P471 HydrophobicContact CG2-CG 3.74Å; F329-P471 HydrophobicContact CE2-CG 3.73Å; F329-P471 HydrophobicContact CZ-CG 4.15Å; V437-P471 VanDerWaalsContact O-CD 3.24Å; V437-P471 WeakPolarHBondContact O-CD 3.46Å; V437-P471 WeakPolarHBondContact O-CG 3.43Å; M438-P471 WeakPolarHBondContact CA-O 3.49Å; M438-P471 HydrophobicContact CB-CG 4.05Å; M438-P471 HydrophobicContact CG-CB 4.29Å; M438-P471 HydrophobicContact CG-CG 3.93Å; M438-P471 WeakPolarHBondContact CG-O 3.44Å; M438-P471 HydrophobicContact SD-CB 4.29Å; M438-P471 HydrophobicContact SD-CG 4.08Å; W439-P471 PolarHBondContact N-O 2.88Å; W439-P471 VanDerWaalsContact N-O 3.09Å; P471-D490 WeakPolarHBondContact CA-OD2 3.1Å; P471-D490 HydrophobicContact CB-CB 3.66Å
472	V	98.9	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138	175.6	-175.4	0	0	0	0	110.4	W439 V441 I460 T463 K464 V489 D490	W439-V472 HydrophobicContact CB-CG2 4.36Å; W439-V472 CarbonylContact O-C 3.54Å; W439-V472 WeakPolarHBondContact O-CA 3.45Å; V441-V472 HydrophobicContact CG1-CG1 3.69Å; I460-V472 HydrophobicContact CB-CG1 4.31Å; I460-V472 HydrophobicContact CG1-CG1 4.09Å; I460-V472 HydrophobicContact CG2-CB 4.1Å; I460-V472 HydrophobicContact CG2-CG1 3.94Å; T463-V472 HydrophobicContact CG2-CG1 4.13Å; T463-V472 HydrophobicContact CG2-CG2 3.71Å; K464-V472 HydrophobicContact CG-CB 4.3Å; K464-V472 HydrophobicContact CG-CG2 3.6Å; V472-V489 WeakPolarHBondContact O-CA 3.25Å; V472-D490 PolarHBondContact N-OD2 2.75Å; V472-D490 PolarHBondContact O-N 3.15Å
473	T	98.9	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	175.3	178.1	-165.1	0	0	0	0	111	M438 W439 S440 V441 I475 V491 C493	M438-T473 HydrophobicContact CE-CG2 3.81Å; M438-T473 HydrophobicContact CG-CG2 4Å; M438-T473 HydrophobicContact SD-CG2 3.88Å; W439-T473 PolarHBondContact O-N 3.18Å; S440-T473 WeakPolarHBondContact CA-O 3.38Å; V441-T473 PolarHBondContact N-O 2.98Å; T473-I475 HydrophobicContact CG2-CD1 3.85Å; T473-V491 WeakPolarHBondContact CB-O 3.21Å; T473-V491 PolarHBondContact OG1-O 2.86Å; T473-C493 PolarHBondContact OG1-SG 3.25Å; T473-C493 VanDerWaalsContact OG1-SG 3.41Å
474	Y	98.6	Very high	98.1	Very high	5 Å²	5	42 Å²	42	2%	0.02	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.1	152.6	74.9	-80.9	0	0	0	106.8	A442 P445 A447 I460 D483 G485 A486 V489	A442-Y474 WeakPolarHBondContact O-CB 3.16Å; P445-Y474 HydrophobicContact CG-CD2 3.78Å; P445-Y474 HydrophobicContact CG-CE2 3.91Å; A447-Y474 HydrophobicContact CB-CE2 4.17Å; I460-Y474 HydrophobicContact CD1-CD1 4.32Å; Y474-D483 PolarHBondContact OH-OD1 2.82Å; Y474-D483 PolarHBondContact OH-OD2 2.93Å; Y474-G485 WeakPolarHBondContact OH-CA 3.36Å; Y474-A486 PolarHBondContact OH-N 3.1Å; Y474-V489 HydrophobicContact CD1-CG1 3.44Å; Y474-V489 VanDerWaalsContact CD1-CG1 3.44Å; Y474-V489 HydrophobicContact CE1-CG1 3.61Å
475	I	98.8	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.9	-170.1	-63	23.2	0	0	0	107.7	S440 A442 N443 E444 T473 C493 N495 S532	S440-I475 VanDerWaalsContact OG-CD1 3.23Å; S440-I475 WeakPolarHBondContact OG-CD1 3.35Å; A442-I475 PolarHBondContact O-N 3.2Å; N443-I475 WeakPolarHBondContact OD1-CB 3.11Å; N443-I475 VanDerWaalsContact OD1-CG2 3.23Å; N443-I475 WeakPolarHBondContact OD1-CG2 3.36Å; E444-I475 PolarHBondContact N-O 3.25Å; T473-I475 HydrophobicContact CG2-CD1 3.85Å; I475-C493 HydrophobicContact CB-CB 4.41Å; I475-C493 HydrophobicContact CD1-CB 3.67Å; I475-C493 HydrophobicContact CG1-CB 3.94Å; I475-N495 VanDerWaalsContact CG2-ND2 3.32Å; I475-N495 WeakPolarHBondContact CG2-ND2 3.36Å; I475-N495 WeakPolarHBondContact CG2-OD1 3.31Å; I475-S532 WeakPolarHBondContact CG2-OG 3.49Å
476	T	98.5	Very high	98.1	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.9	-172.3	-169.1	0	0	0	0	112.3	S478 D483 C493 V494 N495 W521	T476-S478 VanDerWaalsContact OG1-CB 3.31Å; T476-S478 WeakPolarHBondContact OG1-CB 3.38Å; T476-S478 PolarHBondContact OG1-N 3.42Å; T476-S478 VanDerWaalsContact OG1-N 3.1Å; T476-D483 WeakPolarHBondContact CB-OD2 3.48Å; T476-D483 PolarHBondContact OG1-OD2 2.91Å; T476-C493 WeakPolarHBondContact CG2-O 3.43Å; T476-C493 PolarHBondContact N-O 3.37Å; T476-V494 HydrophobicContact CG2-CG2 4.3Å; T476-V494 WeakPolarHBondContact O-CA 3.4Å; T476-N495 PolarHBondContact O-N 3.34Å; T476-W521 HydrophobicContact CG2-CH2 3.54Å; T476-W521 HydrophobicContact CG2-CZ2 3.56Å; T476-W521 HydrophobicContact CG2-CZ3 4.48Å
477	D	96.8	Very high	98.1	Very high	61 Å²	61	35.9 Å²	35.9	33%	0.326	19%	0.191	S	C	.	.			trans	-102.1	-0.8	164.6	60.4	-17.2	0	0	0	111.5	K406 E444	K406-D477 IonicContact NZ-OD2 3.53Å; K406-D477 PolarHBondContact NZ-OD2 2.73Å; E444-D477 HydrophobicContact CB-CB 4.32Å; E444-D477 HydrophobicContact CG-CB 3.8Å
478	S	95.5	Very high	98.1	Very high	14 Å²	14	37.5 Å²	37.5	10%	0.098	20%	0.198	C	C	.	.	S	Bend	trans	-74.2	158.1	-173.4	-67.9	0	0	0	0	112.8	E448 T476 F480 W521	E448-S478 PolarHBondContact OE2-OG 3.31Å; T476-S478 VanDerWaalsContact OG1-CB 3.31Å; T476-S478 WeakPolarHBondContact OG1-CB 3.38Å; T476-S478 PolarHBondContact OG1-N 3.42Å; T476-S478 VanDerWaalsContact OG1-N 3.1Å; S478-F480 PolarHBondContact O-N 3.17Å; S478-W521 WeakPolarHBondContact O-CZ2 3.24Å
479	N	96.9	Very high	98.1	Very high	71 Å²	71	32.4 Å²	32.4	38%	0.38	17%	0.165	S	C	.	.			trans	-67.6	129.7	169.3	-175.2	-76.8	0	0	0	111	S481 R482 D483	N479-S481 PolarHBondContact O-N 2.77Å; N479-S481 WeakPolarHBondContact OD1-CB 3.47Å; N479-S481 PolarHBondContact OD1-N 2.95Å; N479-S481 PolarHBondContact OD1-OG 2.94Å; N479-R482 PolarHBondContact O-N 2.82Å; N479-D483 PolarHBondContact O-N 2.82Å; N479-D483 VanDerWaalsContact O-N 3.15Å
480	F	97.8	Very high	98.2	Very high	49 Å²	49	33 Å²	33	22%	0.215	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-32.8	-178.7	83.9	-79.8	0	0	0	114.5	S478 D520 W521 K524 Y525	S478-F480 PolarHBondContact O-N 3.17Å; F480-D520 HydrophobicContact CD1-CB 3.61Å; F480-D520 HydrophobicContact CD2-CB 3.85Å; F480-D520 HydrophobicContact CE1-CB 3.63Å; F480-D520 WeakPolarHBondContact CE1-OD2 3.45Å; F480-D520 HydrophobicContact CE2-CB 3.88Å; F480-D520 HydrophobicContact CG-CB 3.72Å; F480-D520 HydrophobicContact CZ-CB 3.77Å; F480-W521 HydrophobicContact CB-CD2 3.55Å; F480-W521 HydrophobicContact CB-CE3 3.95Å; F480-W521 HydrophobicContact CB-CG 3.9Å; F480-W521 HydrophobicContact CB-CH2 4.37Å; F480-W521 HydrophobicContact CB-CZ2 4.02Å; F480-W521 HydrophobicContact CB-CZ3 4.33Å; F480-K524 HydrophobicContact CD2-CB 4.13Å; F480-K524 HydrophobicContact CD2-CD 3.82Å; F480-K524 HydrophobicContact CE2-CB 4.46Å; F480-K524 HydrophobicContact CE2-CD 4.22Å; F480-K524 WeakPolarHBondContact O-CD 3.44Å; F480-K524 PolarHBondContact O-NZ 3.45Å; F480-Y525 WeakPolarHBondContact O-CE2 3.42Å; F480-Y525 PolarHBondContact O-OH 2.99Å
481	S	97.7	Very high	98.2	Very high	64 Å²	64	32.3 Å²	32.3	45%	0.448	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-28.5	-175.5	68.8	0	0	0	0	112.4	N479 K524	N479-S481 PolarHBondContact O-N 2.77Å; N479-S481 WeakPolarHBondContact OD1-CB 3.47Å; N479-S481 PolarHBondContact OD1-N 2.95Å; N479-S481 PolarHBondContact OD1-OG 2.94Å; S481-K524 VanDerWaalsContact C-NZ 3.31Å; S481-K524 PolarHBondContact O-NZ 3.09Å
482	R	97.7	Very high	98.2	Very high	146 Å²	146	31.9 Å²	31.9	55%	0.551	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-19.9	-171.8	-60.8	-173.7	-62.8	-178.7	2.3	113.9	E448 N479 K484	E448-R482 HydrophobicContact CB-CB 3.96Å; N479-R482 PolarHBondContact O-N 2.82Å; R482-K484 PolarHBondContact O-N 2.78Å
483	D	98.4	Very high	98.2	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.162	C	C	.	.			trans	-58	119.3	-179.2	-170.5	-45.4	0	0	0	111.8	Y474 T476 N479 G485 A486 W521 Y525	Y474-D483 PolarHBondContact OH-OD1 2.82Å; Y474-D483 PolarHBondContact OH-OD2 2.93Å; T476-D483 WeakPolarHBondContact CB-OD2 3.48Å; T476-D483 PolarHBondContact OG1-OD2 2.91Å; N479-D483 PolarHBondContact O-N 2.82Å; N479-D483 VanDerWaalsContact O-N 3.15Å; D483-G485 PolarHBondContact OD1-N 2.83Å; D483-A486 HydrophobicContact CB-CB 4.2Å; D483-A486 WeakPolarHBondContact OD1-CB 3.29Å; D483-A486 PolarHBondContact OD1-N 3.31Å; D483-W521 HydrophobicContact CB-CH2 3.84Å; D483-W521 HydrophobicContact CB-CZ3 4.47Å; D483-Y525 PolarHBondContact O-OH 2.82Å; D483-Y525 VanDerWaalsContact O-OH 3.14Å
484	K	98.3	Very high	98.2	Very high	83 Å²	83	32 Å²	32	36%	0.361	16%	0.162	S	C	.	.	S	Bend	trans	-90	-18.8	-179.4	-55.5	-63.1	-177.2	175	0	113.9	A447 A452 E453 R482 P487 F488	A447-K484 WeakPolarHBondContact O-CB 3.46Å; A447-K484 VanDerWaalsContact O-CG 3.29Å; A447-K484 WeakPolarHBondContact O-CG 3.37Å; A447-K484 PolarHBondContact O-N 2.78Å; A452-K484 HydrophobicContact CB-CB 4.46Å; E453-K484 HydrophobicContact CB-CB 3.92Å; R482-K484 PolarHBondContact O-N 2.78Å; K484-P487 WeakPolarHBondContact O-CD 3.45Å; K484-F488 VanDerWaalsContact O-CE2 3.25Å; K484-F488 WeakPolarHBondContact O-CE2 2.96Å
485	G	97.8	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-87.4	-32.7	-179.5	0	0	0	0	0	113	Y474 D483 P487 F488	Y474-G485 WeakPolarHBondContact OH-CA 3.36Å; D483-G485 PolarHBondContact OD1-N 2.83Å; G485-P487 VanDerWaalsContact C-N 3.33Å; G485-P487 WeakPolarHBondContact O-CD 3.15Å; G485-P487 VanDerWaalsContact O-N 3.15Å; G485-F488 WeakPolarHBondContact O-CD2 3.24Å; G485-F488 PolarHBondContact O-N 2.8Å
486	A	98.3	Very high	98.1	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.3	-176.3	0	0	0	0	0	116.6	Y474 D483 F488 V489 W521 Y525 K527	Y474-A486 PolarHBondContact OH-N 3.1Å; D483-A486 HydrophobicContact CB-CB 4.2Å; D483-A486 WeakPolarHBondContact OD1-CB 3.29Å; D483-A486 PolarHBondContact OD1-N 3.31Å; A486-F488 PolarHBondContact O-N 2.88Å; A486-F488 VanDerWaalsContact O-N 3.16Å; A486-V489 WeakPolarHBondContact O-CG2 3.21Å; A486-W521 HydrophobicContact CB-CH2 4.18Å; A486-W521 HydrophobicContact CB-CZ3 3.6Å; A486-Y525 HydrophobicContact CB-CD1 4.29Å; A486-Y525 HydrophobicContact CB-CE1 3.67Å; A486-Y525 HydrophobicContact CB-CE2 4.05Å; A486-K527 PolarHBondContact O-NZ 2.86Å
487	P	98.6	Very high	98.1	Very high	67 Å²	67	33.5 Å²	33.5	44%	0.435	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.3	171.6	-25.9	34.9	0	0	0	114.1	K484 G485 Y525 K527	K484-P487 WeakPolarHBondContact O-CD 3.45Å; G485-P487 VanDerWaalsContact C-N 3.33Å; G485-P487 WeakPolarHBondContact O-CD 3.15Å; G485-P487 VanDerWaalsContact O-N 3.15Å; P487-Y525 HydrophobicContact CG-CE1 4.03Å; P487-K527 PolarHBondContact O-NZ 2.85Å
488	F	98.7	Very high	98.2	Very high	44 Å²	44	31.8 Å²	31.8	19%	0.193	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-20.5	-168.8	-50.8	-61.2	0	0	0	115	E453 K457 I460 K484 G485 A486	E453-F488 HydrophobicContact CG-CE2 3.87Å; E453-F488 HydrophobicContact CG-CZ 3.85Å; E453-F488 WeakPolarHBondContact O-CE2 3.39Å; K457-F488 HydrophobicContact CB-CD1 4.1Å; K457-F488 HydrophobicContact CB-CD2 3.93Å; K457-F488 HydrophobicContact CB-CE1 3.89Å; K457-F488 HydrophobicContact CB-CE2 3.72Å; K457-F488 HydrophobicContact CB-CG 4.13Å; K457-F488 HydrophobicContact CB-CZ 3.7Å; K457-F488 HydrophobicContact CD-CE1 3.82Å; K457-F488 HydrophobicContact CD-CZ 3.95Å; K457-F488 HydrophobicContact CG-CD1 3.97Å; K457-F488 HydrophobicContact CG-CE1 3.71Å; K457-F488 HydrophobicContact CG-CE2 4.46Å; K457-F488 HydrophobicContact CG-CG 4.46Å; K457-F488 HydrophobicContact CG-CZ 3.99Å; I460-F488 HydrophobicContact CB-CB 4.48Å; I460-F488 HydrophobicContact CD1-CB 3.71Å; I460-F488 HydrophobicContact CG2-CB 4.44Å; I460-F488 WeakPolarHBondContact CG2-O 3.41Å; K484-F488 VanDerWaalsContact O-CE2 3.25Å; K484-F488 WeakPolarHBondContact O-CE2 2.96Å; G485-F488 WeakPolarHBondContact O-CD2 3.24Å; G485-F488 PolarHBondContact O-N 2.8Å; A486-F488 PolarHBondContact O-N 2.88Å; A486-F488 VanDerWaalsContact O-N 3.16Å
489	V	98.8	Very high	98.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.024	16%	0.155	C	C	.	.			trans	-71.3	156.4	180	-58.2	0	0	0	0	112.6	I460 V472 Y474 A486 V491 I492 K527	I460-V489 HydrophobicContact CD1-CG1 3.85Å; V472-V489 WeakPolarHBondContact O-CA 3.25Å; Y474-V489 HydrophobicContact CD1-CG1 3.44Å; Y474-V489 VanDerWaalsContact CD1-CG1 3.44Å; Y474-V489 HydrophobicContact CE1-CG1 3.61Å; A486-V489 WeakPolarHBondContact O-CG2 3.21Å; V489-V491 WeakPolarHBondContact CB-O 3.01Å; V489-V491 VanDerWaalsContact CG2-O 3.27Å; V489-V491 WeakPolarHBondContact CG2-O 3.28Å; V489-I492 HydrophobicContact CG2-CG1 4.12Å; V489-K527 HydrophobicContact CG2-CD 4.42Å; V489-K527 WeakPolarHBondContact O-CD 3.43Å; V489-K527 WeakPolarHBondContact O-CE 3.47Å; V489-K527 PolarHBondContact O-NZ 3.09Å
490	D	98.9	Very high	98.3	Very high	50 Å²	50	28.5 Å²	28.5	27%	0.267	14%	0.139	S	C	.	.	S	Bend	trans	-87.4	-32.5	172.1	-60.1	-50	0	0	0	112.3	K464 P471 V472	K464-D490 WeakPolarHBondContact CE-OD2 3.42Å; K464-D490 IonicContact NZ-OD1 3.43Å; K464-D490 PolarHBondContact NZ-OD1 3.33Å; K464-D490 IonicContact NZ-OD2 3.85Å; K464-D490 PolarHBondContact NZ-OD2 3.44Å; P471-D490 WeakPolarHBondContact CA-OD2 3.1Å; P471-D490 HydrophobicContact CB-CB 3.66Å; V472-D490 PolarHBondContact N-OD2 2.75Å; V472-D490 PolarHBondContact O-N 3.15Å
491	V	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-128.6	136.7	178.6	179.4	0	0	0	0	108	V324 F329 M438 T473 V489 P528 I530 I575	V324-V491 HydrophobicContact CG1-CG2 3.95Å; V324-V491 HydrophobicContact CG2-CG2 4.12Å; F329-V491 HydrophobicContact CD2-CG2 4.31Å; M438-V491 HydrophobicContact CE-CB 4.41Å; M438-V491 HydrophobicContact CE-CG1 4.4Å; M438-V491 HydrophobicContact SD-CB 3.73Å; M438-V491 HydrophobicContact SD-CG1 4.33Å; M438-V491 HydrophobicContact SD-CG2 3.7Å; T473-V491 WeakPolarHBondContact CB-O 3.21Å; T473-V491 PolarHBondContact OG1-O 2.86Å; V489-V491 WeakPolarHBondContact CB-O 3.01Å; V489-V491 VanDerWaalsContact CG2-O 3.27Å; V489-V491 WeakPolarHBondContact CG2-O 3.28Å; V491-P528 HydrophobicContact CG2-CG 4.21Å; V491-I530 HydrophobicContact CG1-CD1 3.98Å; V491-I530 HydrophobicContact CG1-CG1 3.95Å; V491-I575 HydrophobicContact CG1-CD1 3.84Å; V491-I575 HydrophobicContact CG2-CD1 4.38Å
492	I	98.9	Very high	97.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.4	175.4	-62.3	167.1	0	0	0	107.9	V489 V494 W521 Y525 K527 P528 I529 I530	V489-I492 HydrophobicContact CG2-CG1 4.12Å; I492-V494 HydrophobicContact CG2-CG2 3.51Å; I492-W521 HydrophobicContact CD1-CE3 4.01Å; I492-W521 HydrophobicContact CG2-CD2 4.05Å; I492-W521 HydrophobicContact CG2-CE3 3.74Å; I492-W521 HydrophobicContact CG2-CZ3 4.09Å; I492-Y525 HydrophobicContact CD1-CD2 4.14Å; I492-Y525 HydrophobicContact CD1-CG 4.08Å; I492-K527 HydrophobicContact CD1-CB 3.87Å; I492-K527 HydrophobicContact CD1-CD 4.5Å; I492-K527 HydrophobicContact CG1-CB 4.05Å; I492-K527 HydrophobicContact CG1-CD 4.35Å; I492-P528 PolarHBondContact N-O 2.83Å; I492-I529 HydrophobicContact CB-CG1 4.28Å; I492-I529 CarbonylContact O-C 3.54Å; I492-I529 VanDerWaalsContact O-CA 3.25Å; I492-I529 WeakPolarHBondContact O-CA 3.15Å; I492-I530 PolarHBondContact O-N 2.86Å
493	C	98.9	Very high	97.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.6	173.6	-63.1	0	0	0	0	108.2	T473 I475 T476 I530	T473-C493 PolarHBondContact OG1-SG 3.25Å; T473-C493 VanDerWaalsContact OG1-SG 3.41Å; I475-C493 HydrophobicContact CB-CB 4.41Å; I475-C493 HydrophobicContact CD1-CB 3.67Å; I475-C493 HydrophobicContact CG1-CB 3.94Å; T476-C493 WeakPolarHBondContact CG2-O 3.43Å; T476-C493 PolarHBondContact N-O 3.37Å; C493-I530 WeakPolarHBondContact CA-O 3.17Å
494	V	98.5	Very high	97.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132	-175.2	-169	0	0	0	0	110.1	T476 I492 Q517 W521 I529 I530 Q531 S532	T476-V494 HydrophobicContact CG2-CG2 4.3Å; T476-V494 WeakPolarHBondContact O-CA 3.4Å; I492-V494 HydrophobicContact CG2-CG2 3.51Å; V494-Q517 HydrophobicContact CG1-CG 4.4Å; V494-W521 HydrophobicContact CG2-CD2 4.17Å; V494-W521 HydrophobicContact CG2-CG 4.25Å; V494-W521 HydrophobicContact CG2-CZ2 4.34Å; V494-I529 HydrophobicContact CG2-CG2 4.3Å; V494-I530 PolarHBondContact N-O 2.88Å; V494-Q531 PolarHBondContact O-NE2 2.8Å; V494-Q531 VanDerWaalsContact O-NE2 3.08Å; V494-S532 VanDerWaalsContact C-OG 3.23Å; V494-S532 PolarHBondContact N-OG 3.35Å; V494-S532 PolarHBondContact O-N 2.9Å; V494-S532 PolarHBondContact O-OG 3Å
495	N	98.8	Very high	97.6	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.1	167.8	-68.9	-1.9	0	0	0	109	E444 I475 T476 S532 E533	E444-N495 VanDerWaalsContact CD-ND2 3.33Å; E444-N495 WeakPolarHBondContact CG-ND2 3.07Å; E444-N495 VanDerWaalsContact OE1-CB 3.26Å; E444-N495 WeakPolarHBondContact OE1-CB 3.41Å; E444-N495 PolarHBondContact OE1-ND2 3.19Å; I475-N495 VanDerWaalsContact CG2-ND2 3.32Å; I475-N495 WeakPolarHBondContact CG2-ND2 3.36Å; I475-N495 WeakPolarHBondContact CG2-OD1 3.31Å; T476-N495 PolarHBondContact O-N 3.34Å; N495-S532 WeakPolarHBondContact OD1-CB 3.38Å; N495-S532 PolarHBondContact OD1-OG 3.47Å; N495-E533 HydrophobicContact CB-CB 4.06Å; N495-E533 VanDerWaalsContact CG-CD 3.46Å; N495-E533 PolarHBondContact ND2-OE1 3.48Å; N495-E533 PolarHBondContact ND2-OE2 2.89Å; N495-E533 VanDerWaalsContact OD1-CB 3.31Å; N495-E533 WeakPolarHBondContact OD1-CB 3.46Å; N495-E533 VanDerWaalsContact OD1-CG 3.28Å; N495-E533 WeakPolarHBondContact OD1-CG 3.2Å; N495-E533 PolarHBondContact OD1-N 3.06Å
496	S	98.1	Very high	97.6	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.063	18%	0.181	C	C	.	.			trans	-157.9	134.7	174.2	58.3	0	0	0	0	110.7	Q517 Q531 E533 Y562	S496-Q517 VanDerWaalsContact CB-OE1 3.3Å; S496-Q517 PolarHBondContact OG-NE2 3.06Å; S496-Q531 PolarHBondContact OG-NE2 2.94Å; S496-E533 PolarHBondContact N-O 2.8Å; S496-Y562 VanDerWaalsContact C-OH 3.26Å; S496-Y562 PolarHBondContact O-OH 3.28Å
497	Y	98.3	Very high	97.6	Very high	21 Å²	21	34.7 Å²	34.7	8%	0.082	19%	0.187	C	C	.	.			trans	-127.5	57	-173.6	-69	-88.7	0	0	0	111	W500 Y501 E533 Y562 W580	Y497-W500 PolarHBondContact O-N 3.3Å; Y497-W500 VanDerWaalsContact O-N 3.12Å; Y497-Y501 HydrophobicContact CD1-CD2 4.33Å; Y497-Y501 HydrophobicContact CD1-CE2 4.05Å; Y497-Y501 AromaticContact CD2-CD2 3.74Å; Y497-Y501 HydrophobicContact CD2-CD2 3.74Å; Y497-Y501 AromaticContact CD2-CE2 3.7Å; Y497-Y501 HydrophobicContact CD2-CE2 3.7Å; Y497-Y501 HydrophobicContact CE1-CE2 4.44Å; Y497-Y501 HydrophobicContact CE2-CE2 4.12Å; Y497-Y501 AromaticContact CG-CD2 3.58Å; Y497-Y501 HydrophobicContact CG-CD2 3.58Å; Y497-Y501 AromaticContact CG-CE2 3.65Å; Y497-Y501 HydrophobicContact CG-CE2 3.65Å; Y497-Y501 PolarHBondContact O-N 2.73Å; Y497-E533 HydrophobicContact CE2-CB 4.07Å; Y497-E533 WeakPolarHBondContact OH-CB 3.33Å; Y497-E533 PolarHBondContact OH-OE2 3Å; Y497-Y562 WeakPolarHBondContact CA-OH 3.12Å; Y497-W580 HydrophobicContact CE1-CB 4.22Å; Y497-W580 HydrophobicContact CE1-CG 4.48Å; Y497-W580 VanDerWaalsContact OH-CB 3.25Å; Y497-W580 WeakPolarHBondContact OH-CB 3.45Å; Y497-W580 VanDerWaalsContact OH-CD1 3.23Å
498	F	98.3	Very high	97.6	Very high	26 Å²	26	37.2 Å²	37.2	11%	0.114	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-60.8	141.2	176.7	-57.5	-53.2	0	0	0	110.5	W500 I510 Q513 L514 Q517 Y562	F498-W500 PolarHBondContact O-N 3.28Å; F498-I510 HydrophobicContact CB-CG1 3.98Å; F498-Q513 HydrophobicContact CD1-CB 3.91Å; F498-Q513 HydrophobicContact CD2-CB 4.11Å; F498-Q513 HydrophobicContact CE1-CB 3.88Å; F498-Q513 HydrophobicContact CE2-CB 4.1Å; F498-Q513 HydrophobicContact CG-CB 4.02Å; F498-Q513 HydrophobicContact CZ-CB 3.98Å; F498-L514 HydrophobicContact CD2-CB 4.08Å; F498-L514 HydrophobicContact CE2-CB 3.95Å; F498-L514 HydrophobicContact CE2-CD1 4.05Å; F498-Q517 HydrophobicContact CZ-CB 4.42Å; F498-Y562 WeakPolarHBondContact CD2-OH 3.39Å; F498-Y562 PolarHBondContact N-OH 2.84Å
499	S	97.9	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-3.5	-170.2	83.1	0	0	0	0	116.4	H502 D503 P504 G505 I510 Y554	S499-H502 CarbonylContact C-O 3.58Å; S499-H502 VanDerWaalsContact CA-O 3.25Å; S499-H502 WeakPolarHBondContact CA-O 3.42Å; S499-H502 PolarHBondContact N-O 2.99Å; S499-D503 WeakPolarHBondContact CA-O 3.44Å; S499-P504 WeakPolarHBondContact O-CA 3.33Å; S499-G505 PolarHBondContact O-N 2.82Å; S499-I510 WeakPolarHBondContact OG-CD1 3.47Å; S499-Y554 WeakPolarHBondContact CB-OH 3.44Å; S499-Y554 PolarHBondContact O-OH 2.83Å; S499-Y554 PolarHBondContact OG-OH 3.18Å
500	W	97.6	Very high	97.6	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.057	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-77.2	178.2	-167.9	-111.9	0	0	0	110.7	Y497 F498 A536 D537 M549 F550 Y554	Y497-W500 PolarHBondContact O-N 3.3Å; Y497-W500 VanDerWaalsContact O-N 3.12Å; F498-W500 PolarHBondContact O-N 3.28Å; W500-A536 HydrophobicContact CD2-CB 4.05Å; W500-A536 HydrophobicContact CE3-CB 3.59Å; W500-A536 HydrophobicContact CZ3-CB 3.91Å; W500-D537 HydrophobicContact CH2-CB 3.84Å; W500-D537 HydrophobicContact CZ2-CB 3.4Å; W500-D537 WeakPolarHBondContact CZ2-OD2 3.44Å; W500-D537 PolarHBondContact NE1-OD2 3.14Å; W500-M549 HydrophobicContact CD2-CE 3.99Å; W500-M549 HydrophobicContact CE3-CE 3.56Å; W500-M549 HydrophobicContact CE3-CG 4.24Å; W500-M549 HydrophobicContact CH2-CB 4.05Å; W500-M549 HydrophobicContact CH2-CE 3.86Å; W500-M549 HydrophobicContact CZ2-CE 4.2Å; W500-M549 HydrophobicContact CZ3-CB 3.61Å; W500-M549 HydrophobicContact CZ3-CE 3.54Å; W500-M549 HydrophobicContact CZ3-CG 3.77Å; W500-F550 AromaticContact CH2-CD1 3.8Å; W500-F550 HydrophobicContact CH2-CD1 3.8Å; W500-F550 HydrophobicContact CH2-CD2 4.09Å; W500-F550 AromaticContact CH2-CE1 3.66Å; W500-F550 HydrophobicContact CH2-CE1 3.66Å; W500-F550 AromaticContact CH2-CE2 3.94Å; W500-F550 HydrophobicContact CH2-CE2 3.94Å; W500-F550 HydrophobicContact CH2-CG 4.02Å; W500-F550 AromaticContact CH2-CZ 3.73Å; W500-F550 HydrophobicContact CH2-CZ 3.73Å; W500-F550 HydrophobicContact CZ2-CD1 4.24Å; W500-F550 AromaticContact CZ2-CE1 3.69Å; W500-F550 HydrophobicContact CZ2-CE1 3.69Å; W500-F550 HydrophobicContact CZ2-CE2 4.39Å; W500-F550 AromaticContact CZ2-CZ 3.77Å; W500-F550 HydrophobicContact CZ2-CZ 3.77Å; W500-Y554 HydrophobicContact CE3-CD1 4.46Å; W500-Y554 AromaticContact CE3-CE1 3.9Å; W500-Y554 HydrophobicContact CE3-CE1 3.9Å; W500-Y554 HydrophobicContact CZ3-CD1 4.25Å; W500-Y554 HydrophobicContact CZ3-CE1 4.07Å
501	Y	94.2	Very high	97.6	Very high	60 Å²	60	35.6 Å²	35.6	24%	0.235	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-23.9	179.5	-65.8	-44.8	0	0	0	113.4	Y497 L594	Y497-Y501 HydrophobicContact CD1-CD2 4.33Å; Y497-Y501 HydrophobicContact CD1-CE2 4.05Å; Y497-Y501 AromaticContact CD2-CD2 3.74Å; Y497-Y501 HydrophobicContact CD2-CD2 3.74Å; Y497-Y501 AromaticContact CD2-CE2 3.7Å; Y497-Y501 HydrophobicContact CD2-CE2 3.7Å; Y497-Y501 HydrophobicContact CE1-CE2 4.44Å; Y497-Y501 HydrophobicContact CE2-CE2 4.12Å; Y497-Y501 AromaticContact CG-CD2 3.58Å; Y497-Y501 HydrophobicContact CG-CD2 3.58Å; Y497-Y501 AromaticContact CG-CE2 3.65Å; Y497-Y501 HydrophobicContact CG-CE2 3.65Å; Y497-Y501 PolarHBondContact O-N 2.73Å; Y501-L594 HydrophobicContact CD1-CD1 4.12Å; Y501-L594 HydrophobicContact CD1-CD2 3.79Å; Y501-L594 HydrophobicContact CD1-CG 4.19Å; Y501-L594 HydrophobicContact CD2-CD2 3.43Å; Y501-L594 VanDerWaalsContact CD2-CD2 3.43Å; Y501-L594 HydrophobicContact CE1-CD2 4.13Å; Y501-L594 HydrophobicContact CE2-CD2 3.83Å; Y501-L594 HydrophobicContact CG-CD1 4.07Å; Y501-L594 HydrophobicContact CG-CD2 3.45Å; Y501-L594 VanDerWaalsContact CG-CD2 3.45Å; Y501-L594 HydrophobicContact CG-CG 4.21Å
502	H	88.4	Confident	97.5	Very high	111 Å²	111	41.6 Å²	41.6	51%	0.514	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-127.1	141.2	173.8	-53.1	-57	0	0	0	109.2	S499	S499-H502 CarbonylContact C-O 3.58Å; S499-H502 VanDerWaalsContact CA-O 3.25Å; S499-H502 WeakPolarHBondContact CA-O 3.42Å; S499-H502 PolarHBondContact N-O 2.99Å
503	D	97	Very high	97.5	Very high	73 Å²	73	44 Å²	44	39%	0.39	23%	0.232	S	C	.	.	S	Bend	trans	52.9	53.9	-176.6	-52.3	-56.4	0	0	0	112.6	S499 G505 H506 V509 Q513	S499-D503 WeakPolarHBondContact CA-O 3.44Å; D503-G505 PolarHBondContact O-N 3.08Å; D503-H506 HydrophobicContact CB-CB 4.16Å; D503-H506 WeakPolarHBondContact O-CB 3.48Å; D503-H506 PolarHBondContact O-N 3.34Å; D503-V509 HydrophobicContact CB-CG2 4.24Å; D503-Q513 PolarHBondContact OD2-NE2 2.97Å
504	P	97.4	Very high	97.5	Very high	79 Å²	79	44 Å²	44	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	126.9	-169.7	23.8	-34.5	0	0	0	112	S499 H506 M549	S499-P504 WeakPolarHBondContact O-CA 3.33Å; P504-H506 VanDerWaalsContact C-N 3.35Å; P504-M549 HydrophobicContact CB-CE 3.98Å; P504-M549 HydrophobicContact CB-SD 3.6Å; P504-M549 VanDerWaalsContact CB-SD 3.6Å
505	G	97.3	Very high	97.5	Very high	36 Å²	36	45.1 Å²	45.1	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-12.1	-179.5	0	0	0	0	0	115.2	S499 D503 V507 Y554	S499-G505 PolarHBondContact O-N 2.82Å; D503-G505 PolarHBondContact O-N 3.08Å; G505-V507 PolarHBondContact O-N 2.95Å; G505-Y554 WeakPolarHBondContact CA-OH 3.35Å; G505-Y554 PolarHBondContact N-OH 2.88Å; G505-Y554 VanDerWaalsContact N-OH 3.16Å
506	H	98.3	Very high	97.5	Very high	95 Å²	95	47.7 Å²	47.7	44%	0.44	25%	0.253	S	S	.	.			trans	-92.1	69.6	-174	-70.4	-82.8	0	0	0	112.7	D503 P504 E508 V509	D503-H506 HydrophobicContact CB-CB 4.16Å; D503-H506 WeakPolarHBondContact O-CB 3.48Å; D503-H506 PolarHBondContact O-N 3.34Å; P504-H506 VanDerWaalsContact C-N 3.35Å; H506-E508 VanDerWaalsContact CA-OE2 3.3Å; H506-E508 WeakPolarHBondContact CA-OE2 3.45Å; H506-E508 IonicContact CE1-OE1 2.67Å; H506-E508 IonicContact CG-OE1 2.76Å; H506-E508 IonicContact ND1-OE1 3.77Å; H506-E508 PolarHBondContact ND1-OE1 3.15Å; H506-E508 PolarHBondContact O-N 3.44Å; H506-E508 VanDerWaalsContact O-N 3.08Å; H506-V509 HydrophobicContact CB-CG1 3.96Å; H506-V509 VanDerWaalsContact O-CG2 3.23Å; H506-V509 WeakPolarHBondContact O-CG2 3.48Å; H506-V509 PolarHBondContact O-N 2.87Å; H506-V509 VanDerWaalsContact O-N 3.14Å
507	V	98	Very high	97.5	Very high	25 Å²	25	48.5 Å²	48.5	15%	0.152	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-59.4	-23	-178.6	-61.8	0	0	0	0	114	G505 V509 I510 Y554 V557 V558 Q561	G505-V507 PolarHBondContact O-N 2.95Å; V507-V509 PolarHBondContact O-N 3.27Å; V507-I510 HydrophobicContact CB-CD1 4.24Å; V507-I510 WeakPolarHBondContact O-CG1 3.41Å; V507-I510 PolarHBondContact O-N 3.43Å; V507-Y554 HydrophobicContact CG1-CD2 4.31Å; V507-Y554 HydrophobicContact CG1-CE2 3.63Å; V507-V557 HydrophobicContact CB-CG1 3.97Å; V507-V557 HydrophobicContact CG1-CG1 4.05Å; V507-V557 HydrophobicContact CG2-CG1 3.79Å; V507-V558 HydrophobicContact CG1-CG2 3.99Å; V507-Q561 HydrophobicContact CB-CG 4.48Å
508	E	98.1	Very high	97.6	Very high	119 Å²	119	47.5 Å²	47.5	56%	0.556	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.2	178.3	71.8	-80.5	-170	0	0	113.9	H506	H506-E508 VanDerWaalsContact CA-OE2 3.3Å; H506-E508 WeakPolarHBondContact CA-OE2 3.45Å; H506-E508 IonicContact CE1-OE1 2.67Å; H506-E508 IonicContact CG-OE1 2.76Å; H506-E508 IonicContact ND1-OE1 3.77Å; H506-E508 PolarHBondContact ND1-OE1 3.15Å; H506-E508 PolarHBondContact O-N 3.44Å; H506-E508 VanDerWaalsContact O-N 3.08Å
509	V	98.5	Very high	97.6	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.188	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-81.3	-24.9	-180	-49.9	0	0	0	0	112.5	D503 H506 V507 L512 Q513	D503-V509 HydrophobicContact CB-CG2 4.24Å; H506-V509 HydrophobicContact CB-CG1 3.96Å; H506-V509 VanDerWaalsContact O-CG2 3.23Å; H506-V509 WeakPolarHBondContact O-CG2 3.48Å; H506-V509 PolarHBondContact O-N 2.87Å; H506-V509 VanDerWaalsContact O-N 3.14Å; V507-V509 PolarHBondContact O-N 3.27Å; V509-L512 PolarHBondContact O-N 3.42Å; V509-L512 VanDerWaalsContact O-N 3.14Å; V509-Q513 HydrophobicContact CB-CG 4.31Å; V509-Q513 HydrophobicContact CG2-CG 4.4Å; V509-Q513 PolarHBondContact O-N 3.47Å
510	I	98.7	Very high	97.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-51.8	-51.4	-173.5	-62.8	166.4	0	0	0	111.2	F498 S499 V507 L512 Q513 L514 V558 Q561 Y562	F498-I510 HydrophobicContact CB-CG1 3.98Å; S499-I510 WeakPolarHBondContact OG-CD1 3.47Å; V507-I510 HydrophobicContact CB-CD1 4.24Å; V507-I510 WeakPolarHBondContact O-CG1 3.41Å; V507-I510 PolarHBondContact O-N 3.43Å; I510-L512 VanDerWaalsContact C-N 3.27Å; I510-L512 PolarHBondContact O-N 3.29Å; I510-Q513 PolarHBondContact O-N 3.41Å; I510-L514 WeakPolarHBondContact O-CB 3.26Å; I510-L514 PolarHBondContact O-N 2.85Å; I510-V558 HydrophobicContact CD1-CB 4.35Å; I510-V558 HydrophobicContact CD1-CG1 4.15Å; I510-V558 HydrophobicContact CD1-CG2 4.26Å; I510-Q561 HydrophobicContact CB-CB 3.84Å; I510-Q561 HydrophobicContact CD1-CB 3.77Å; I510-Q561 HydrophobicContact CD1-CG 4.2Å; I510-Q561 HydrophobicContact CG1-CB 4.43Å; I510-Q561 HydrophobicContact CG2-CB 3.76Å; I510-Y562 HydrophobicContact CB-CE2 4.46Å; I510-Y562 HydrophobicContact CD1-CD2 4.17Å; I510-Y562 HydrophobicContact CD1-CE2 4.08Å; I510-Y562 HydrophobicContact CG1-CE2 4.14Å; I510-Y562 HydrophobicContact CG2-CD2 3.39Å; I510-Y562 HydrophobicContact CG2-CE2 3.51Å; I510-Y562 HydrophobicContact CG2-CG 4.02Å
511	P	98.7	Very high	97.7	Very high	34 Å²	34	53.6 Å²	53.6	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-33.9	-174.6	-24.1	36.9	0	0	0	113.7	N515 Q561 V565	P511-N515 VanDerWaalsContact O-CB 3.29Å; P511-N515 WeakPolarHBondContact O-CB 3.36Å; P511-N515 PolarHBondContact O-N 3.02Å; P511-N515 PolarHBondContact O-ND2 3.02Å; P511-Q561 HydrophobicContact CG-CB 4.32Å; P511-V565 HydrophobicContact CB-CG2 4.02Å
512	L	98.5	Very high	97.9	Very high	126 Å²	126	53 Å²	53	66%	0.66	28%	0.281	S	S	*	.	H	α-helix	trans	-75.2	-53.8	-179.9	-179.5	62.2	0	0	0	110.6	V509 I510 L514 N515 T516	V509-L512 PolarHBondContact O-N 3.42Å; V509-L512 VanDerWaalsContact O-N 3.14Å; I510-L512 VanDerWaalsContact C-N 3.27Å; I510-L512 PolarHBondContact O-N 3.29Å; L512-L514 VanDerWaalsContact C-N 3.34Å; L512-L514 PolarHBondContact O-N 3.2Å; L512-N515 PolarHBondContact O-N 3.39Å; L512-T516 PolarHBondContact O-N 3.36Å; L512-T516 PolarHBondContact O-OG1 2.99Å
513	Q	98.6	Very high	98.4	Very high	53 Å²	53	49.5 Å²	49.5	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-42	-176.5	-68.1	179.9	-8.8	0	0	111.5	F498 D503 V509 I510 T516 Q517	F498-Q513 HydrophobicContact CD1-CB 3.91Å; F498-Q513 HydrophobicContact CD2-CB 4.11Å; F498-Q513 HydrophobicContact CE1-CB 3.88Å; F498-Q513 HydrophobicContact CE2-CB 4.1Å; F498-Q513 HydrophobicContact CG-CB 4.02Å; F498-Q513 HydrophobicContact CZ-CB 3.98Å; D503-Q513 PolarHBondContact OD2-NE2 2.97Å; V509-Q513 HydrophobicContact CB-CG 4.31Å; V509-Q513 HydrophobicContact CG2-CG 4.4Å; V509-Q513 PolarHBondContact O-N 3.47Å; I510-Q513 PolarHBondContact O-N 3.41Å; Q513-T516 PolarHBondContact O-N 2.89Å; Q513-Q517 WeakPolarHBondContact O-CB 3.29Å; Q513-Q517 PolarHBondContact O-N 3.49Å
514	L	98.6	Very high	98.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.6	-37.2	179	-175	59.5	0	0	0	112.8	F498 I510 L512 Q517 F518 Y562 V565 F566	F498-L514 HydrophobicContact CD2-CB 4.08Å; F498-L514 HydrophobicContact CE2-CB 3.95Å; F498-L514 HydrophobicContact CE2-CD1 4.05Å; I510-L514 WeakPolarHBondContact O-CB 3.26Å; I510-L514 PolarHBondContact O-N 2.85Å; L512-L514 VanDerWaalsContact C-N 3.34Å; L512-L514 PolarHBondContact O-N 3.2Å; L514-Q517 PolarHBondContact O-N 3.11Å; L514-F518 HydrophobicContact CD1-CD2 4.19Å; L514-F518 HydrophobicContact CD1-CE1 4.31Å; L514-F518 HydrophobicContact CD1-CE2 3.63Å; L514-F518 HydrophobicContact CD1-CZ 3.69Å; L514-F518 HydrophobicContact CD2-CE2 4.14Å; L514-F518 HydrophobicContact CG-CD2 4.05Å; L514-F518 HydrophobicContact CG-CE2 3.59Å; L514-F518 HydrophobicContact CG-CZ 4.17Å; L514-F518 VanDerWaalsContact O-CD2 3.3Å; L514-F518 WeakPolarHBondContact O-CD2 3.49Å; L514-F518 PolarHBondContact O-N 3.14Å; L514-Y562 HydrophobicContact CD1-CD1 4.49Å; L514-Y562 HydrophobicContact CD1-CE1 4.21Å; L514-Y562 HydrophobicContact CD2-CD1 3.41Å; L514-Y562 VanDerWaalsContact CD2-CD1 3.41Å; L514-Y562 HydrophobicContact CD2-CE1 3.83Å; L514-Y562 HydrophobicContact CD2-CG 3.99Å; L514-V565 HydrophobicContact CB-CG1 4.3Å; L514-V565 HydrophobicContact CB-CG2 4.3Å; L514-V565 HydrophobicContact CD2-CB 3.73Å; L514-V565 HydrophobicContact CD2-CG1 4.02Å; L514-V565 HydrophobicContact CD2-CG2 4.03Å; L514-V565 HydrophobicContact CG-CB 4.15Å; L514-V565 HydrophobicContact CG-CG1 3.88Å; L514-V565 HydrophobicContact CG-CG2 4.41Å; L514-F566 HydrophobicContact CD2-CD1 4.34Å; L514-F566 HydrophobicContact CD2-CE1 3.88Å
515	N	98.4	Very high	98.5	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.139	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-45.8	172.3	-93.4	-55.8	0	0	0	111.5	P511 L512 F518 E519 Q568 K569	P511-N515 VanDerWaalsContact O-CB 3.29Å; P511-N515 WeakPolarHBondContact O-CB 3.36Å; P511-N515 PolarHBondContact O-N 3.02Å; P511-N515 PolarHBondContact O-ND2 3.02Å; L512-N515 PolarHBondContact O-N 3.39Å; N515-F518 PolarHBondContact O-N 2.98Å; N515-E519 WeakPolarHBondContact O-CB 3.5Å; N515-E519 WeakPolarHBondContact O-CG 3.34Å; N515-E519 PolarHBondContact O-N 2.82Å; N515-Q568 PolarHBondContact ND2-OE1 2.91Å; N515-K569 WeakPolarHBondContact OD1-CE 3.24Å
516	T	98.6	Very high	98.5	Very high	62 Å²	62	51.9 Å²	51.9	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-46.8	176.3	-61.5	0	0	0	0	111.2	L512 Q513 F518 E519 D520	L512-T516 PolarHBondContact O-N 3.36Å; L512-T516 PolarHBondContact O-OG1 2.99Å; Q513-T516 PolarHBondContact O-N 2.89Å; T516-F518 PolarHBondContact O-N 3.29Å; T516-E519 PolarHBondContact O-N 3.24Å; T516-E519 VanDerWaalsContact O-N 3.13Å; T516-D520 WeakPolarHBondContact O-CB 3.46Å; T516-D520 PolarHBondContact O-N 3.05Å
517	Q	98.7	Very high	98.5	Very high	27 Å²	27	49.1 Å²	49.1	13%	0.126	25%	0.25	C	S	.	.	H	α-helix	trans	-52.5	-52.1	174.9	176.4	173	-75.4	0	0	111.6	V494 S496 F498 Q513 L514 E519 D520 W521	V494-Q517 HydrophobicContact CG1-CG 4.4Å; S496-Q517 VanDerWaalsContact CB-OE1 3.3Å; S496-Q517 PolarHBondContact OG-NE2 3.06Å; F498-Q517 HydrophobicContact CZ-CB 4.42Å; Q513-Q517 WeakPolarHBondContact O-CB 3.29Å; Q513-Q517 PolarHBondContact O-N 3.49Å; L514-Q517 PolarHBondContact O-N 3.11Å; Q517-E519 VanDerWaalsContact C-N 3.32Å; Q517-E519 PolarHBondContact O-N 3.47Å; Q517-D520 PolarHBondContact O-N 2.8Å; Q517-W521 WeakPolarHBondContact O-CB 3.21Å; Q517-W521 PolarHBondContact O-N 2.79Å
518	F	98.8	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-35	179.7	-73.4	-37.6	0	0	0	113.4	L514 N515 T516 Y522 I529 Q531 V565 F566 K569 Y573 V574	L514-F518 HydrophobicContact CD1-CD2 4.19Å; L514-F518 HydrophobicContact CD1-CE1 4.31Å; L514-F518 HydrophobicContact CD1-CE2 3.63Å; L514-F518 HydrophobicContact CD1-CZ 3.69Å; L514-F518 HydrophobicContact CD2-CE2 4.14Å; L514-F518 HydrophobicContact CG-CD2 4.05Å; L514-F518 HydrophobicContact CG-CE2 3.59Å; L514-F518 HydrophobicContact CG-CZ 4.17Å; L514-F518 VanDerWaalsContact O-CD2 3.3Å; L514-F518 WeakPolarHBondContact O-CD2 3.49Å; L514-F518 PolarHBondContact O-N 3.14Å; N515-F518 PolarHBondContact O-N 2.98Å; T516-F518 PolarHBondContact O-N 3.29Å; F518-Y522 WeakPolarHBondContact O-CB 2.78Å; F518-Y522 PolarHBondContact O-N 3.5Å; F518-I529 HydrophobicContact CD1-CD1 4.17Å; F518-I529 HydrophobicContact CD1-CG2 3.98Å; F518-I529 HydrophobicContact CE1-CG2 3.85Å; F518-Q531 HydrophobicContact CZ-CB 4.43Å; F518-V565 HydrophobicContact CD2-CG1 3.87Å; F518-V565 HydrophobicContact CE2-CG1 3.92Å; F518-F566 AromaticContact CE2-CD1 3.94Å; F518-F566 HydrophobicContact CE2-CD1 3.94Å; F518-F566 HydrophobicContact CE2-CE1 4.19Å; F518-F566 AromaticContact CZ-CD1 3.97Å; F518-F566 HydrophobicContact CZ-CD1 3.97Å; F518-F566 AromaticContact CZ-CE1 3.92Å; F518-F566 HydrophobicContact CZ-CE1 3.92Å; F518-K569 HydrophobicContact CD2-CG 4.02Å; F518-Y573 HydrophobicContact CB-CE2 4.06Å; F518-Y573 WeakPolarHBondContact O-CE2 3.45Å; F518-Y573 PolarHBondContact O-OH 2.75Å; F518-V574 HydrophobicContact CD1-CG2 3.81Å; F518-V574 HydrophobicContact CD2-CG2 4.13Å; F518-V574 HydrophobicContact CE1-CG2 3.8Å; F518-V574 HydrophobicContact CE2-CG2 4.1Å; F518-V574 HydrophobicContact CG-CG2 3.99Å; F518-V574 HydrophobicContact CZ-CG1 4.45Å; F518-V574 HydrophobicContact CZ-CG2 3.95Å
519	E	98.6	Very high	98.6	Very high	103 Å²	103	42.3 Å²	42.3	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-71.4	-39.2	177.8	-75.7	173.2	-173.3	0	0	112.4	N515 T516 Q517 G523 K569	N515-E519 WeakPolarHBondContact O-CB 3.5Å; N515-E519 WeakPolarHBondContact O-CG 3.34Å; N515-E519 PolarHBondContact O-N 2.82Å; T516-E519 PolarHBondContact O-N 3.24Å; T516-E519 VanDerWaalsContact O-N 3.13Å; Q517-E519 VanDerWaalsContact C-N 3.32Å; Q517-E519 PolarHBondContact O-N 3.47Å; E519-G523 WeakPolarHBondContact O-CA 3.28Å; E519-G523 PolarHBondContact O-N 3.2Å; E519-K569 IonicContact OE1-NZ 2.8Å; E519-K569 PolarHBondContact OE1-NZ 3.4Å
520	D	98.7	Very high	98.6	Very high	61 Å²	61	40.9 Å²	40.9	33%	0.326	21%	0.208	S	C	.	.	H	α-helix	trans	-70.1	-50.1	179.5	-77.2	-17.1	0	0	0	111.8	F480 T516 Q517 G523 K524	F480-D520 HydrophobicContact CD1-CB 3.61Å; F480-D520 HydrophobicContact CD2-CB 3.85Å; F480-D520 HydrophobicContact CE1-CB 3.63Å; F480-D520 WeakPolarHBondContact CE1-OD2 3.45Å; F480-D520 HydrophobicContact CE2-CB 3.88Å; F480-D520 HydrophobicContact CG-CB 3.72Å; F480-D520 HydrophobicContact CZ-CB 3.77Å; T516-D520 WeakPolarHBondContact O-CB 3.46Å; T516-D520 PolarHBondContact O-N 3.05Å; Q517-D520 PolarHBondContact O-N 2.8Å; D520-G523 PolarHBondContact O-N 3.15Å; D520-K524 WeakPolarHBondContact O-CB 3.3Å; D520-K524 PolarHBondContact O-N 3.2Å
521	W	98.8	Very high	98.7	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-51.2	177.5	-83.4	109.3	0	0	0	111.6	T476 S478 F480 D483 A486 I492 V494 Q517 G523 K524 Y525 I529	T476-W521 HydrophobicContact CG2-CH2 3.54Å; T476-W521 HydrophobicContact CG2-CZ2 3.56Å; T476-W521 HydrophobicContact CG2-CZ3 4.48Å; S478-W521 WeakPolarHBondContact O-CZ2 3.24Å; F480-W521 HydrophobicContact CB-CD2 3.55Å; F480-W521 HydrophobicContact CB-CE3 3.95Å; F480-W521 HydrophobicContact CB-CG 3.9Å; F480-W521 HydrophobicContact CB-CH2 4.37Å; F480-W521 HydrophobicContact CB-CZ2 4.02Å; F480-W521 HydrophobicContact CB-CZ3 4.33Å; D483-W521 HydrophobicContact CB-CH2 3.84Å; D483-W521 HydrophobicContact CB-CZ3 4.47Å; A486-W521 HydrophobicContact CB-CH2 4.18Å; A486-W521 HydrophobicContact CB-CZ3 3.6Å; I492-W521 HydrophobicContact CD1-CE3 4.01Å; I492-W521 HydrophobicContact CG2-CD2 4.05Å; I492-W521 HydrophobicContact CG2-CE3 3.74Å; I492-W521 HydrophobicContact CG2-CZ3 4.09Å; V494-W521 HydrophobicContact CG2-CD2 4.17Å; V494-W521 HydrophobicContact CG2-CG 4.25Å; V494-W521 HydrophobicContact CG2-CZ2 4.34Å; Q517-W521 WeakPolarHBondContact O-CB 3.21Å; Q517-W521 PolarHBondContact O-N 2.79Å; W521-G523 VanDerWaalsContact C-N 3.32Å; W521-G523 PolarHBondContact O-N 2.87Å; W521-K524 PolarHBondContact O-N 3.01Å; W521-Y525 AromaticContact CE3-CD2 3.51Å; W521-Y525 HydrophobicContact CE3-CD2 3.51Å; W521-Y525 AromaticContact CE3-CE2 3.45Å; W521-Y525 HydrophobicContact CE3-CE2 3.45Å; W521-Y525 VanDerWaalsContact CE3-CE2 3.45Å; W521-Y525 AromaticContact CZ3-CD2 3.85Å; W521-Y525 HydrophobicContact CZ3-CD2 3.85Å; W521-Y525 AromaticContact CZ3-CE2 3.39Å; W521-Y525 HydrophobicContact CZ3-CE2 3.39Å; W521-Y525 WeakPolarHBondContact O-CD2 3.31Å; W521-Y525 PolarHBondContact O-N 3.28Å; W521-I529 HydrophobicContact CB-CD1 3.71Å
522	Y	98.6	Very high	98.7	Very high	47 Å²	47	39.3 Å²	39.3	18%	0.184	20%	0.198	C	C	.	.	H	α-helix	trans	-69.7	-33.6	178.6	-170.5	-105.9	0	0	0	112.1	S326 T327 F518 K524 K526 K527 Y573	S326-Y522 WeakPolarHBondContact O-CE2 3.5Å; T327-Y522 HydrophobicContact CG2-CE2 4.22Å; T327-Y522 WeakPolarHBondContact CG2-OH 3.38Å; F518-Y522 WeakPolarHBondContact O-CB 2.78Å; F518-Y522 PolarHBondContact O-N 3.5Å; Y522-K524 PolarHBondContact O-N 3.44Å; Y522-K526 HydrophobicContact CE1-CD 4.43Å; Y522-K526 WeakPolarHBondContact O-CD 3.32Å; Y522-K526 PolarHBondContact O-N 2.58Å; Y522-K526 VanDerWaalsContact O-N 3.13Å; Y522-K526 PolarHBondContact O-NZ 3.31Å; Y522-K526 VanDerWaalsContact O-NZ 3.08Å; Y522-K527 WeakPolarHBondContact CD2-O 3.28Å; Y522-Y573 AromaticContact CD1-CD1 3.55Å; Y522-Y573 HydrophobicContact CD1-CD1 3.55Å; Y522-Y573 HydrophobicContact CD1-CD2 4.31Å; Y522-Y573 AromaticContact CD1-CE1 3.66Å; Y522-Y573 HydrophobicContact CD1-CE1 3.66Å; Y522-Y573 HydrophobicContact CD1-CE2 4.36Å; Y522-Y573 AromaticContact CD1-CG 3.9Å; Y522-Y573 HydrophobicContact CD1-CG 3.9Å; Y522-Y573 AromaticContact CD2-CD1 3.97Å; Y522-Y573 HydrophobicContact CD2-CD1 3.97Å; Y522-Y573 AromaticContact CD2-CD2 3.64Å; Y522-Y573 HydrophobicContact CD2-CD2 3.64Å; Y522-Y573 HydrophobicContact CD2-CE2 4.31Å; Y522-Y573 AromaticContact CD2-CG 3.43Å; Y522-Y573 HydrophobicContact CD2-CG 3.43Å; Y522-Y573 VanDerWaalsContact CD2-CG 3.43Å; Y522-Y573 AromaticContact CE1-CD1 3.68Å; Y522-Y573 HydrophobicContact CE1-CD1 3.68Å; Y522-Y573 HydrophobicContact CE1-CE1 4.14Å; Y522-Y573 HydrophobicContact CE1-CG 4.14Å; Y522-Y573 HydrophobicContact CE2-CD1 4.11Å; Y522-Y573 HydrophobicContact CE2-CD2 4.37Å; Y522-Y573 AromaticContact CE2-CG 3.72Å; Y522-Y573 HydrophobicContact CE2-CG 3.72Å; Y522-Y573 AromaticContact CG-CD1 3.71Å; Y522-Y573 HydrophobicContact CG-CD1 3.71Å; Y522-Y573 AromaticContact CG-CD2 3.62Å; Y522-Y573 HydrophobicContact CG-CD2 3.62Å; Y522-Y573 AromaticContact CG-CE1 3.94Å; Y522-Y573 HydrophobicContact CG-CE1 3.94Å; Y522-Y573 AromaticContact CG-CE2 3.82Å; Y522-Y573 HydrophobicContact CG-CE2 3.82Å; Y522-Y573 AromaticContact CG-CG 3.55Å; Y522-Y573 HydrophobicContact CG-CG 3.55Å; Y522-Y573 AromaticContact CG-CZ 3.97Å; Y522-Y573 AromaticContact CZ-CD1 3.97Å
523	G	98.5	Very high	98.7	Very high	38 Å²	38	33.6 Å²	33.6	39%	0.392	17%	0.168	S	C	.	.	H	α-helix	trans	-54.2	-51.1	174.8	0	0	0	0	0	111.8	E519 D520 W521 K526	E519-G523 WeakPolarHBondContact O-CA 3.28Å; E519-G523 PolarHBondContact O-N 3.2Å; D520-G523 PolarHBondContact O-N 3.15Å; W521-G523 VanDerWaalsContact C-N 3.32Å; W521-G523 PolarHBondContact O-N 2.87Å; G523-K526 WeakPolarHBondContact O-CE 3.42Å; G523-K526 PolarHBondContact O-NZ 2.82Å
524	K	98.5	Very high	98.7	Very high	97 Å²	97	31.4 Å²	31.4	42%	0.422	16%	0.157	S	C	.	.	H	α-helix	trans	-79.5	-46.4	-176.6	-176.3	173.7	172.5	-166.2	0	113.6	F480 S481 D520 W521 Y522	F480-K524 HydrophobicContact CD2-CB 4.13Å; F480-K524 HydrophobicContact CD2-CD 3.82Å; F480-K524 HydrophobicContact CE2-CB 4.46Å; F480-K524 HydrophobicContact CE2-CD 4.22Å; F480-K524 WeakPolarHBondContact O-CD 3.44Å; F480-K524 PolarHBondContact O-NZ 3.45Å; S481-K524 VanDerWaalsContact C-NZ 3.31Å; S481-K524 PolarHBondContact O-NZ 3.09Å; D520-K524 WeakPolarHBondContact O-CB 3.3Å; D520-K524 PolarHBondContact O-N 3.2Å; W521-K524 PolarHBondContact O-N 3.01Å; Y522-K524 PolarHBondContact O-N 3.44Å
525	Y	98.5	Very high	98.7	Very high	30 Å²	30	31.5 Å²	31.5	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-104.5	-19.9	-165.4	-65.5	-78.7	0	0	0	115.1	F480 D483 A486 P487 I492 W521 K527	F480-Y525 WeakPolarHBondContact O-CE2 3.42Å; F480-Y525 PolarHBondContact O-OH 2.99Å; D483-Y525 PolarHBondContact O-OH 2.82Å; D483-Y525 VanDerWaalsContact O-OH 3.14Å; A486-Y525 HydrophobicContact CB-CD1 4.29Å; A486-Y525 HydrophobicContact CB-CE1 3.67Å; A486-Y525 HydrophobicContact CB-CE2 4.05Å; P487-Y525 HydrophobicContact CG-CE1 4.03Å; I492-Y525 HydrophobicContact CD1-CD2 4.14Å; I492-Y525 HydrophobicContact CD1-CG 4.08Å; W521-Y525 AromaticContact CE3-CD2 3.51Å; W521-Y525 HydrophobicContact CE3-CD2 3.51Å; W521-Y525 AromaticContact CE3-CE2 3.45Å; W521-Y525 HydrophobicContact CE3-CE2 3.45Å; W521-Y525 VanDerWaalsContact CE3-CE2 3.45Å; W521-Y525 AromaticContact CZ3-CD2 3.85Å; W521-Y525 HydrophobicContact CZ3-CD2 3.85Å; W521-Y525 AromaticContact CZ3-CE2 3.39Å; W521-Y525 HydrophobicContact CZ3-CE2 3.39Å; W521-Y525 WeakPolarHBondContact O-CD2 3.31Å; W521-Y525 PolarHBondContact O-N 3.28Å; Y525-K527 VanDerWaalsContact C-N 3.26Å; Y525-K527 PolarHBondContact O-N 2.67Å
526	K	98.4	Very high	98.7	Very high	111 Å²	111	30.7 Å²	30.7	48%	0.483	16%	0.155	S	C	.	.			trans	53.7	39.9	179.3	-54	-67.3	168.9	-143.9	0	113.9	S326 Y522 G523	S326-K526 WeakPolarHBondContact CB-O 3.36Å; Y522-K526 HydrophobicContact CE1-CD 4.43Å; Y522-K526 WeakPolarHBondContact O-CD 3.32Å; Y522-K526 PolarHBondContact O-N 2.58Å; Y522-K526 VanDerWaalsContact O-N 3.13Å; Y522-K526 PolarHBondContact O-NZ 3.31Å; Y522-K526 VanDerWaalsContact O-NZ 3.08Å; G523-K526 WeakPolarHBondContact O-CE 3.42Å; G523-K526 PolarHBondContact O-NZ 2.82Å
527	K	98.7	Very high	98.6	Very high	37 Å²	37	31.5 Å²	31.5	16%	0.161	16%	0.157	C	C	.	.			trans	-120.8	152.3	177.4	-68.4	173.1	-170.4	177.8	0	110	S326 A486 P487 V489 I492 Y522 Y525	S326-K527 CarbonylContact O-C 3.55Å; A486-K527 PolarHBondContact O-NZ 2.86Å; P487-K527 PolarHBondContact O-NZ 2.85Å; V489-K527 HydrophobicContact CG2-CD 4.42Å; V489-K527 WeakPolarHBondContact O-CD 3.43Å; V489-K527 WeakPolarHBondContact O-CE 3.47Å; V489-K527 PolarHBondContact O-NZ 3.09Å; I492-K527 HydrophobicContact CD1-CB 3.87Å; I492-K527 HydrophobicContact CD1-CD 4.5Å; I492-K527 HydrophobicContact CG1-CB 4.05Å; I492-K527 HydrophobicContact CG1-CD 4.35Å; Y522-K527 WeakPolarHBondContact CD2-O 3.28Å; Y525-K527 VanDerWaalsContact C-N 3.26Å; Y525-K527 PolarHBondContact O-N 2.67Å
528	P	98.8	Very high	98.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.158	C	C	.	.			trans	-66	152.5	175.9	29.8	-34.2	0	0	0	110.8	V324 S325 S326 V491 I492 Y573 I575	V324-P528 HydrophobicContact CG1-CG 3.67Å; S325-P528 VanDerWaalsContact O-CD 3.29Å; S325-P528 WeakPolarHBondContact O-CD 3.42Å; S326-P528 WeakPolarHBondContact O-CD 3.38Å; V491-P528 HydrophobicContact CG2-CG 4.21Å; I492-P528 PolarHBondContact N-O 2.83Å; P528-Y573 CarbonylContact C-O 3.58Å; P528-Y573 VanDerWaalsContact CA-O 3.28Å; P528-Y573 WeakPolarHBondContact CA-O 3.31Å; P528-I575 HydrophobicContact CB-CD1 3.77Å; P528-I575 HydrophobicContact CB-CG1 3.93Å; P528-I575 HydrophobicContact CB-CG2 3.8Å; P528-I575 HydrophobicContact CG-CD1 4.14Å
529	I	98.9	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.2	-171.2	-55.5	177.1	0	0	0	110.3	I492 V494 F518 W521 Y573 V574 I575	I492-I529 HydrophobicContact CB-CG1 4.28Å; I492-I529 CarbonylContact O-C 3.54Å; I492-I529 VanDerWaalsContact O-CA 3.25Å; I492-I529 WeakPolarHBondContact O-CA 3.15Å; V494-I529 HydrophobicContact CG2-CG2 4.3Å; F518-I529 HydrophobicContact CD1-CD1 4.17Å; F518-I529 HydrophobicContact CD1-CG2 3.98Å; F518-I529 HydrophobicContact CE1-CG2 3.85Å; W521-I529 HydrophobicContact CB-CD1 3.71Å; I529-Y573 HydrophobicContact CD1-CD2 4.03Å; I529-Y573 HydrophobicContact CD1-CE2 4.09Å; I529-Y573 HydrophobicContact CG1-CD2 4.42Å; I529-Y573 PolarHBondContact N-O 3.2Å; I529-V574 HydrophobicContact CB-CG2 4.45Å; I529-V574 CarbonylContact O-C 3.46Å; I529-V574 VanDerWaalsContact O-CA 3.31Å; I529-V574 WeakPolarHBondContact O-CA 3.08Å; I529-I575 WeakPolarHBondContact O-CG1 3.37Å; I529-I575 PolarHBondContact O-N 2.83Å
530	I	98.9	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.3	164.3	-63.8	177.9	0	0	0	107.5	F338 I397 M438 V491 I492 C493 V494 S532 I575 G576 L578	F338-I530 HydrophobicContact CD2-CD1 3.74Å; F338-I530 HydrophobicContact CD2-CG1 4.37Å; F338-I530 HydrophobicContact CE2-CD1 3.81Å; F338-I530 HydrophobicContact CG-CD1 4.18Å; F338-I530 HydrophobicContact CZ-CD1 4.29Å; I397-I530 HydrophobicContact CD1-CD1 3.99Å; M438-I530 HydrophobicContact CE-CD1 3.76Å; V491-I530 HydrophobicContact CG1-CD1 3.98Å; V491-I530 HydrophobicContact CG1-CG1 3.95Å; I492-I530 PolarHBondContact O-N 2.86Å; C493-I530 WeakPolarHBondContact CA-O 3.17Å; V494-I530 PolarHBondContact N-O 2.88Å; I530-S532 PolarHBondContact O-N 2.88Å; I530-I575 HydrophobicContact CD1-CD1 4.22Å; I530-I575 HydrophobicContact CD1-CG1 4.47Å; I530-I575 HydrophobicContact CG1-CD1 3.93Å; I530-I575 HydrophobicContact CG1-CG1 3.7Å; I530-G576 WeakPolarHBondContact CA-O 3.28Å; I530-L578 HydrophobicContact CG2-CD1 4.31Å; I530-L578 HydrophobicContact CG2-CG 4.34Å
531	Q	98.9	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	97.1	161.1	-174.8	68.9	42.7	0	0	106.9	V494 S496 F518 E533 Y534 F566 G576 E577 L578	V494-Q531 PolarHBondContact O-NE2 2.8Å; V494-Q531 VanDerWaalsContact O-NE2 3.08Å; S496-Q531 PolarHBondContact OG-NE2 2.94Å; F518-Q531 HydrophobicContact CZ-CB 4.43Å; Q531-E533 PolarHBondContact NE2-O 3.19Å; Q531-Y534 HydrophobicContact CG-CD1 3.84Å; Q531-Y534 HydrophobicContact CG-CG 4.29Å; Q531-F566 HydrophobicContact CB-CE1 3.81Å; Q531-F566 HydrophobicContact CB-CZ 3.93Å; Q531-F566 HydrophobicContact CG-CE1 3.84Å; Q531-F566 HydrophobicContact CG-CZ 3.71Å; Q531-G576 PolarHBondContact N-O 3.25Å; Q531-E577 WeakPolarHBondContact O-CA 3.17Å; Q531-L578 PolarHBondContact O-N 2.93Å
532	S	98.8	Very high	98.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-25	-170.6	38.3	0	0	0	0	113.1	N342 I475 V494 N495 I530 L578	N342-S532 PolarHBondContact ND2-O 2.75Å; N342-S532 PolarHBondContact OD1-O 2.98Å; I475-S532 WeakPolarHBondContact CG2-OG 3.49Å; V494-S532 VanDerWaalsContact C-OG 3.23Å; V494-S532 PolarHBondContact N-OG 3.35Å; V494-S532 PolarHBondContact O-N 2.9Å; V494-S532 PolarHBondContact O-OG 3Å; N495-S532 WeakPolarHBondContact OD1-CB 3.38Å; N495-S532 PolarHBondContact OD1-OG 3.47Å; I530-S532 PolarHBondContact O-N 2.88Å; S532-L578 CarbonylContact C-O 3.58Å; S532-L578 WeakPolarHBondContact O-CB 3.3Å
533	E	98.9	Very high	98.5	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	139.8	171.3	-65	178.1	-148.6	0	0	111.2	R375 H378 N443 N495 S496 Y497 Q531 W580	R375-E533 IonicContact CZ-OE1 3.78Å; R375-E533 IonicContact NH1-OE1 3.32Å; R375-E533 VanDerWaalsContact NH2-CD 3.35Å; R375-E533 VanDerWaalsContact NH2-CG 3.32Å; R375-E533 IonicContact NH2-OE1 3.24Å; R375-E533 PolarHBondContact NH2-OE1 3.38Å; H378-E533 IonicContact CE1-OE1 3.86Å; N443-E533 PolarHBondContact OD1-OE1 2.83Å; N495-E533 HydrophobicContact CB-CB 4.06Å; N495-E533 VanDerWaalsContact CG-CD 3.46Å; N495-E533 PolarHBondContact ND2-OE1 3.48Å; N495-E533 PolarHBondContact ND2-OE2 2.89Å; N495-E533 VanDerWaalsContact OD1-CB 3.31Å; N495-E533 WeakPolarHBondContact OD1-CB 3.46Å; N495-E533 VanDerWaalsContact OD1-CG 3.28Å; N495-E533 WeakPolarHBondContact OD1-CG 3.2Å; N495-E533 PolarHBondContact OD1-N 3.06Å; S496-E533 PolarHBondContact N-O 2.8Å; Y497-E533 HydrophobicContact CE2-CB 4.07Å; Y497-E533 WeakPolarHBondContact OH-CB 3.33Å; Y497-E533 PolarHBondContact OH-OE2 3Å; Q531-E533 PolarHBondContact NE2-O 3.19Å; E533-W580 HydrophobicContact CB-CB 4.15Å; E533-W580 HydrophobicContact CG-CB 4.36Å; E533-W580 HydrophobicContact CG-CD2 4.32Å; E533-W580 HydrophobicContact CG-CE3 3.76Å; E533-W580 HydrophobicContact CG-CZ3 4.43Å
534	Y	98.8	Very high	98.5	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	23%	0.231	C	C	.	.			trans	-163.1	147.2	168.8	68.2	-71.6	0	0	0	107.9	Q531 L559 Y562 H563 F566 E577 L578 I579 W580	Q531-Y534 HydrophobicContact CG-CD1 3.84Å; Q531-Y534 HydrophobicContact CG-CG 4.29Å; Y534-L559 HydrophobicContact CD2-CD2 3.84Å; Y534-L559 HydrophobicContact CE2-CD2 3.38Å; Y534-Y562 VanDerWaalsContact CB-CE1 3.46Å; Y534-Y562 AromaticContact CD2-CD1 3.72Å; Y534-Y562 HydrophobicContact CD2-CD1 3.72Å; Y534-Y562 HydrophobicContact CD2-CD2 4.25Å; Y534-Y562 HydrophobicContact CD2-CE1 4.34Å; Y534-Y562 AromaticContact CD2-CG 3.66Å; Y534-Y562 HydrophobicContact CD2-CG 3.66Å; Y534-Y562 HydrophobicContact CE2-CG 4.38Å; Y534-Y562 AromaticContact CG-CD1 3.85Å; Y534-Y562 HydrophobicContact CG-CD1 3.85Å; Y534-Y562 HydrophobicContact CG-CE1 4.16Å; Y534-Y562 HydrophobicContact CG-CG 4.26Å; Y534-H563 AromaticContact CE2-NE2 3.82Å; Y534-H563 AromaticContact CZ-NE2 3.83Å; Y534-H563 PolarHBondContact OH-NE2 3.26Å; Y534-F566 HydrophobicContact CD1-CE2 4.42Å; Y534-F566 HydrophobicContact CD1-CZ 4.1Å; Y534-F566 HydrophobicContact CD2-CE2 4.42Å; Y534-F566 HydrophobicContact CD2-CZ 4.28Å; Y534-F566 AromaticContact CE1-CE2 3.92Å; Y534-F566 HydrophobicContact CE1-CE2 3.92Å; Y534-F566 HydrophobicContact CE1-CZ 4.05Å; Y534-F566 AromaticContact CE2-CE2 3.91Å; Y534-F566 HydrophobicContact CE2-CE2 3.91Å; Y534-F566 HydrophobicContact CE2-CZ 4.22Å; Y534-F566 HydrophobicContact CG-CZ 4.23Å; Y534-F566 AromaticContact CZ-CE2 3.67Å; Y534-E577 HydrophobicContact CE1-CB 4.21Å; Y534-L578 WeakPolarHBondContact CD1-O 3.44Å; Y534-I579 HydrophobicContact CE1-CB 4.07Å; Y534-W580 PolarHBondContact O-N 2.85Å
535	G	98.3	Very high	98.5	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	25%	0.248	C	C	.	.			trans	169.7	-174	-177.6	0	0	0	0	0	112.3
536	A	98.2	Very high	98.4	Very high	8 Å²	8	47.7 Å²	47.7	7%	0.066	27%	0.272	C	S	.	.			trans	-150.1	139.3	170.7	0	0	0	0	0	107.1	W500 Y554 V558	W500-A536 HydrophobicContact CD2-CB 4.05Å; W500-A536 HydrophobicContact CE3-CB 3.59Å; W500-A536 HydrophobicContact CZ3-CB 3.91Å; A536-Y554 HydrophobicContact CB-CD1 4.15Å; A536-Y554 HydrophobicContact CB-CE1 4.27Å; A536-V558 HydrophobicContact CB-CG2 4.33Å
537	D	97.9	Very high	98.4	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	26%	0.262	S	S	.	.			trans	-62.3	145.2	174.4	-61.5	-73.1	0	0	0	110.2	W500 F550	W500-D537 HydrophobicContact CH2-CB 3.84Å; W500-D537 HydrophobicContact CZ2-CB 3.4Å; W500-D537 WeakPolarHBondContact CZ2-OD2 3.44Å; W500-D537 PolarHBondContact NE1-OD2 3.14Å; D537-F550 HydrophobicContact CB-CD1 3.79Å; D537-F550 HydrophobicContact CB-CE1 3.67Å; D537-F550 VanDerWaalsContact O-CA 3.3Å; D537-F550 WeakPolarHBondContact O-CA 3.39Å
538	V	98.1	Very high	98.4	Very high	25 Å²	25	46.1 Å²	46.1	15%	0.152	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-136.7	135.6	-180	176.7	0	0	0	0	109.5	P540 F550 E552 Q555	V538-P540 WeakPolarHBondContact O-CD 3.48Å; V538-F550 WeakPolarHBondContact CA-O 3.42Å; V538-E552 HydrophobicContact CG1-CG 3.84Å; V538-Q555 HydrophobicContact CG2-CB 3.23Å; V538-Q555 HydrophobicContact CG2-CG 3.77Å
539	V	98.3	Very high	98.4	Very high	78 Å²	78	48.7 Å²	48.7	47%	0.473	29%	0.288	S	S	.	.			trans	-99.1	112.8	168.2	179.5	0	0	0	0	107.6	G541 L542 F550	V539-G541 PolarHBondContact O-N 2.88Å; V539-L542 HydrophobicContact CB-CB 4.09Å; V539-L542 HydrophobicContact CB-CD2 4.34Å; V539-L542 HydrophobicContact CG1-CB 4.49Å; V539-L542 VanDerWaalsContact O-CB 3.23Å; V539-L542 WeakPolarHBondContact O-CB 3.03Å; V539-L542 PolarHBondContact O-N 3.49Å; V539-F550 HydrophobicContact CG2-CB 4.32Å; V539-F550 HydrophobicContact CG2-CD1 4.47Å; V539-F550 PolarHBondContact N-O 2.66Å
540	P	98.1	Very high	98.3	Very high	95 Å²	95	53 Å²	53	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	131.2	-179.6	-27.9	35.3	0	0	0	112.3	V538 L542	V538-P540 WeakPolarHBondContact O-CD 3.48Å; P540-L542 VanDerWaalsContact C-N 3.34Å
541	G	98.3	Very high	98.3	Very high	55 Å²	55	53.1 Å²	53.1	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-0.3	-176.6	0	0	0	0	0	115.5	V539 H543 E552	V539-G541 PolarHBondContact O-N 2.88Å; G541-H543 PolarHBondContact O-CD2 3.25Å; G541-E552 PolarHBondContact N-OE1 3.47Å
542	L	98.6	Very high	98.3	Very high	77 Å²	77	56.8 Å²	56.8	40%	0.403	33%	0.325	S	S	.	.			trans	-85.8	118.4	170.3	-171.4	65.2	0	0	0	110.2	V539 P540 F550 T551 E552	V539-L542 HydrophobicContact CB-CB 4.09Å; V539-L542 HydrophobicContact CB-CD2 4.34Å; V539-L542 HydrophobicContact CG1-CB 4.49Å; V539-L542 VanDerWaalsContact O-CB 3.23Å; V539-L542 WeakPolarHBondContact O-CB 3.03Å; V539-L542 PolarHBondContact O-N 3.49Å; P540-L542 VanDerWaalsContact C-N 3.34Å; L542-F550 HydrophobicContact CD2-CB 3.8Å; L542-T551 HydrophobicContact CD2-CG2 4.36Å; L542-T551 HydrophobicContact CG-CG2 4.02Å; L542-T551 VanDerWaalsContact O-CA 3.28Å; L542-T551 WeakPolarHBondContact O-CA 3.47Å; L542-T551 WeakPolarHBondContact O-CB 3.28Å; L542-E552 PolarHBondContact O-N 2.94Å; L542-E552 VanDerWaalsContact O-N 3.12Å
543	H	98.6	Very high	98.3	Very high	102 Å²	102	59.9 Å²	59.9	47%	0.472	34%	0.339	S	S	.	.			trans	-127.5	146	-178	-63.6	-78.3	0	0	0	111.9	G541 E552 E553	G541-H543 PolarHBondContact O-CD2 3.25Å; H543-E552 VanDerWaalsContact CE1-CD 3.49Å; H543-E552 IonicContact CE1-OE1 3.88Å; H543-E552 IonicContact CE1-OE2 3.5Å; H543-E552 PolarHBondContact CE1-OE2 3.22Å; H543-E552 IonicContact NE2-OE1 3.78Å; H543-E553 WeakPolarHBondContact CA-OE2 3.15Å; H543-E553 IonicContact CE1-OE1 2.99Å; H543-E553 IonicContact CG-OE1 3.82Å; H543-E553 IonicContact CG-OE2 2.85Å; H543-E553 IonicContact ND1-OE1 3.29Å; H543-E553 PolarHBondContact ND1-OE1 3.43Å; H543-E553 IonicContact ND1-OE2 2.71Å; H543-E553 PolarHBondContact ND1-OE2 2.88Å
544	N	98.5	Very high	98.3	Very high	74 Å²	74	59.7 Å²	59.7	40%	0.396	34%	0.338	S	S	.	.			trans	-157.4	150.9	170	-161.3	66.7	0	0	0	112.1	P546 V548 T551 E553	N544-P546 CarbonylContact C-O 3.58Å; N544-P546 PolarHBondContact ND2-O 3.09Å; N544-V548 HydrophobicContact CB-CG2 3.82Å; N544-T551 HydrophobicContact CB-CG2 3.74Å; N544-E553 PolarHBondContact N-OE2 3.18Å
545	D	97.7	Very high	98.3	Very high	147 Å²	147	62.4 Å²	62.4	79%	0.786	35%	0.351	S	S	*	.	S	Bend	trans	-130.9	126	165.4	-175.9	62.8	0	0	0	109.4
546	P	97.3	Very high	98.3	Very high	95 Å²	95	68.3 Å²	68.3	62%	0.617	38%	0.376	S	S	*	.	S	Bend	cis	-59.8	157.2	-4.6	-22.1	34.3	0	0	0	113.5	N544 V548	N544-P546 CarbonylContact C-O 3.58Å; N544-P546 PolarHBondContact ND2-O 3.09Å; P546-V548 PolarHBondContact O-N 3.01Å
547	P	98.1	Very high	98.4	Very high	44 Å²	44	69.5 Å²	69.5	29%	0.286	38%	0.382	S	S	.	.			trans	-60.2	135.4	-178.9	25	-34.3	0	0	0	111.1	E553 Y554 V557	P547-E553 HydrophobicContact CB-CB 3.99Å; P547-Y554 HydrophobicContact CB-CD2 4.28Å; P547-V557 HydrophobicContact CG-CG2 4.26Å
548	V	98.4	Very high	98.4	Very high	71 Å²	71	65.7 Å²	65.7	43%	0.43	36%	0.362	S	S	.	.			trans	-126.6	156.2	175.4	-60.4	0	0	0	0	110.4	N544 P546 T551 Y554	N544-V548 HydrophobicContact CB-CG2 3.82Å; P546-V548 PolarHBondContact O-N 3.01Å; V548-T551 HydrophobicContact CG2-CG2 3.59Å; V548-T551 PolarHBondContact N-OG1 2.98Å; V548-T551 WeakPolarHBondContact O-CB 3.24Å; V548-T551 WeakPolarHBondContact O-CG2 3.45Å; V548-T551 PolarHBondContact O-N 3.09Å; V548-T551 VanDerWaalsContact O-N 3.09Å; V548-T551 PolarHBondContact O-OG1 3Å; V548-Y554 WeakPolarHBondContact O-CB 3.33Å
549	M	98.4	Very high	98.4	Very high	55 Å²	55	65.8 Å²	65.8	27%	0.271	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	145.2	179.4	-66	175.3	76.3	0	0	111.9	W500 P504 T551 Y554	W500-M549 HydrophobicContact CD2-CE 3.99Å; W500-M549 HydrophobicContact CE3-CE 3.56Å; W500-M549 HydrophobicContact CE3-CG 4.24Å; W500-M549 HydrophobicContact CH2-CB 4.05Å; W500-M549 HydrophobicContact CH2-CE 3.86Å; W500-M549 HydrophobicContact CZ2-CE 4.2Å; W500-M549 HydrophobicContact CZ3-CB 3.61Å; W500-M549 HydrophobicContact CZ3-CE 3.54Å; W500-M549 HydrophobicContact CZ3-CG 3.77Å; P504-M549 HydrophobicContact CB-CE 3.98Å; P504-M549 HydrophobicContact CB-SD 3.6Å; P504-M549 VanDerWaalsContact CB-SD 3.6Å; M549-T551 PolarHBondContact O-N 3.16Å; M549-Y554 HydrophobicContact CG-CE1 4.13Å; M549-Y554 HydrophobicContact CG-CE2 4.33Å
550	F	98.2	Very high	98.4	Very high	92 Å²	92	67 Å²	67	40%	0.404	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	72.3	-9.9	-173.7	-53.5	-81.7	0	0	0	117	W500 D537 V538 V539 L542	W500-F550 AromaticContact CH2-CD1 3.8Å; W500-F550 HydrophobicContact CH2-CD1 3.8Å; W500-F550 HydrophobicContact CH2-CD2 4.09Å; W500-F550 AromaticContact CH2-CE1 3.66Å; W500-F550 HydrophobicContact CH2-CE1 3.66Å; W500-F550 AromaticContact CH2-CE2 3.94Å; W500-F550 HydrophobicContact CH2-CE2 3.94Å; W500-F550 HydrophobicContact CH2-CG 4.02Å; W500-F550 AromaticContact CH2-CZ 3.73Å; W500-F550 HydrophobicContact CH2-CZ 3.73Å; W500-F550 HydrophobicContact CZ2-CD1 4.24Å; W500-F550 AromaticContact CZ2-CE1 3.69Å; W500-F550 HydrophobicContact CZ2-CE1 3.69Å; W500-F550 HydrophobicContact CZ2-CE2 4.39Å; W500-F550 AromaticContact CZ2-CZ 3.77Å; W500-F550 HydrophobicContact CZ2-CZ 3.77Å; D537-F550 HydrophobicContact CB-CD1 3.79Å; D537-F550 HydrophobicContact CB-CE1 3.67Å; D537-F550 VanDerWaalsContact O-CA 3.3Å; D537-F550 WeakPolarHBondContact O-CA 3.39Å; V538-F550 WeakPolarHBondContact CA-O 3.42Å; V539-F550 HydrophobicContact CG2-CB 4.32Å; V539-F550 HydrophobicContact CG2-CD1 4.47Å; V539-F550 PolarHBondContact N-O 2.66Å; L542-F550 HydrophobicContact CD2-CB 3.8Å
551	T	98.8	Very high	98.5	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	35%	0.348	C	S	.	.	S	Bend	trans	-80	151.6	175.4	62.7	0	0	0	0	112.5	L542 N544 V548 M549 E553 Y554 Q555	L542-T551 HydrophobicContact CD2-CG2 4.36Å; L542-T551 HydrophobicContact CG-CG2 4.02Å; L542-T551 VanDerWaalsContact O-CA 3.28Å; L542-T551 WeakPolarHBondContact O-CA 3.47Å; L542-T551 WeakPolarHBondContact O-CB 3.28Å; N544-T551 HydrophobicContact CB-CG2 3.74Å; V548-T551 HydrophobicContact CG2-CG2 3.59Å; V548-T551 PolarHBondContact N-OG1 2.98Å; V548-T551 WeakPolarHBondContact O-CB 3.24Å; V548-T551 WeakPolarHBondContact O-CG2 3.45Å; V548-T551 PolarHBondContact O-N 3.09Å; V548-T551 VanDerWaalsContact O-N 3.09Å; V548-T551 PolarHBondContact O-OG1 3Å; M549-T551 PolarHBondContact O-N 3.16Å; T551-E553 PolarHBondContact O-N 3.06Å; T551-Y554 PolarHBondContact O-N 3.25Å; T551-Y554 VanDerWaalsContact O-N 3.13Å; T551-Y554 VanDerWaalsContact OG1-CB 3.3Å; T551-Y554 WeakPolarHBondContact OG1-CB 3.45Å; T551-Y554 PolarHBondContact OG1-N 3.24Å; T551-Y554 VanDerWaalsContact OG1-N 3.16Å; T551-Q555 PolarHBondContact O-N 2.99Å
552	E	98.8	Very high	98.5	Very high	77 Å²	77	63 Å²	63	36%	0.36	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-38.2	173.3	-64.8	-174.5	-160.8	0	0	111.6	V538 G541 L542 H543 Y554 K556	V538-E552 HydrophobicContact CG1-CG 3.84Å; G541-E552 PolarHBondContact N-OE1 3.47Å; L542-E552 PolarHBondContact O-N 2.94Å; L542-E552 VanDerWaalsContact O-N 3.12Å; H543-E552 VanDerWaalsContact CE1-CD 3.49Å; H543-E552 IonicContact CE1-OE1 3.88Å; H543-E552 IonicContact CE1-OE2 3.5Å; H543-E552 PolarHBondContact CE1-OE2 3.22Å; H543-E552 IonicContact NE2-OE1 3.78Å; E552-Y554 VanDerWaalsContact C-N 3.34Å; E552-Y554 PolarHBondContact O-N 2.82Å; E552-K556 PolarHBondContact O-N 2.62Å; E552-K556 VanDerWaalsContact O-N 3.12Å
553	E	98.8	Very high	98.5	Very high	66 Å²	66	62.6 Å²	62.6	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-36.4	176.9	-69.5	71.7	-143.9	0	0	112.5	H543 N544 P547 T551 K556 V557	H543-E553 WeakPolarHBondContact CA-OE2 3.15Å; H543-E553 IonicContact CE1-OE1 2.99Å; H543-E553 IonicContact CG-OE1 3.82Å; H543-E553 IonicContact CG-OE2 2.85Å; H543-E553 IonicContact ND1-OE1 3.29Å; H543-E553 PolarHBondContact ND1-OE1 3.43Å; H543-E553 IonicContact ND1-OE2 2.71Å; H543-E553 PolarHBondContact ND1-OE2 2.88Å; N544-E553 PolarHBondContact N-OE2 3.18Å; P547-E553 HydrophobicContact CB-CB 3.99Å; T551-E553 PolarHBondContact O-N 3.06Å; E553-K556 WeakPolarHBondContact O-CB 3.44Å; E553-K556 PolarHBondContact O-N 3.25Å; E553-V557 WeakPolarHBondContact O-CG2 3.41Å; E553-V557 PolarHBondContact O-N 3.11Å
554	Y	98.8	Very high	98.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-47.2	178.9	-170.7	-89.6	0	0	0	112	S499 W500 G505 V507 A536 P547 V548 M549 T551 E552 K556 V557 V558	S499-Y554 WeakPolarHBondContact CB-OH 3.44Å; S499-Y554 PolarHBondContact O-OH 2.83Å; S499-Y554 PolarHBondContact OG-OH 3.18Å; W500-Y554 HydrophobicContact CE3-CD1 4.46Å; W500-Y554 AromaticContact CE3-CE1 3.9Å; W500-Y554 HydrophobicContact CE3-CE1 3.9Å; W500-Y554 HydrophobicContact CZ3-CD1 4.25Å; W500-Y554 HydrophobicContact CZ3-CE1 4.07Å; G505-Y554 WeakPolarHBondContact CA-OH 3.35Å; G505-Y554 PolarHBondContact N-OH 2.88Å; G505-Y554 VanDerWaalsContact N-OH 3.16Å; V507-Y554 HydrophobicContact CG1-CD2 4.31Å; V507-Y554 HydrophobicContact CG1-CE2 3.63Å; A536-Y554 HydrophobicContact CB-CD1 4.15Å; A536-Y554 HydrophobicContact CB-CE1 4.27Å; P547-Y554 HydrophobicContact CB-CD2 4.28Å; V548-Y554 WeakPolarHBondContact O-CB 3.33Å; M549-Y554 HydrophobicContact CG-CE1 4.13Å; M549-Y554 HydrophobicContact CG-CE2 4.33Å; T551-Y554 PolarHBondContact O-N 3.25Å; T551-Y554 VanDerWaalsContact O-N 3.13Å; T551-Y554 VanDerWaalsContact OG1-CB 3.3Å; T551-Y554 WeakPolarHBondContact OG1-CB 3.45Å; T551-Y554 PolarHBondContact OG1-N 3.24Å; T551-Y554 VanDerWaalsContact OG1-N 3.16Å; E552-Y554 VanDerWaalsContact C-N 3.34Å; E552-Y554 PolarHBondContact O-N 2.82Å; Y554-K556 VanDerWaalsContact C-N 3.29Å; Y554-K556 PolarHBondContact O-N 3.02Å; Y554-V557 PolarHBondContact O-N 3.08Å; Y554-V557 VanDerWaalsContact O-N 3.13Å; Y554-V558 HydrophobicContact CD1-CG2 3.75Å; Y554-V558 HydrophobicContact CE1-CG2 3.41Å; Y554-V558 VanDerWaalsContact CE1-CG2 3.41Å; Y554-V558 WeakPolarHBondContact O-CG2 3.41Å; Y554-V558 PolarHBondContact O-N 2.97Å
555	Q	98.8	Very high	98.5	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-57.7	-44.6	174.4	179.1	-170.4	67.7	0	0	111.2	V538 T551 V557 V558 L559	V538-Q555 HydrophobicContact CG2-CB 3.23Å; V538-Q555 HydrophobicContact CG2-CG 3.77Å; T551-Q555 PolarHBondContact O-N 2.99Å; Q555-V557 VanDerWaalsContact C-N 3.32Å; Q555-V557 PolarHBondContact O-N 3.2Å; Q555-V558 PolarHBondContact O-N 2.85Å; Q555-L559 HydrophobicContact CG-CD1 3.99Å; Q555-L559 HydrophobicContact CG-CG 4.26Å; Q555-L559 WeakPolarHBondContact O-CB 3.33Å; Q555-L559 VanDerWaalsContact O-CG 3.25Å; Q555-L559 WeakPolarHBondContact O-CG 3.34Å; Q555-L559 PolarHBondContact O-N 3.49Å
556	K	98.8	Very high	98.6	Very high	126 Å²	126	48.9 Å²	48.9	55%	0.548	25%	0.254	S	S	.	.	H	α-helix	trans	-55.4	-47.2	175.5	178	-175.7	174.1	-173.9	0	111.9	E552 E553 Y554 Q560	E552-K556 PolarHBondContact O-N 2.62Å; E552-K556 VanDerWaalsContact O-N 3.12Å; E553-K556 WeakPolarHBondContact O-CB 3.44Å; E553-K556 PolarHBondContact O-N 3.25Å; Y554-K556 VanDerWaalsContact C-N 3.29Å; Y554-K556 PolarHBondContact O-N 3.02Å; K556-Q560 WeakPolarHBondContact O-CB 3.4Å; K556-Q560 VanDerWaalsContact O-CG 3.22Å; K556-Q560 WeakPolarHBondContact O-CG 3.46Å; K556-Q560 PolarHBondContact O-N 2.79Å
557	V	98.6	Very high	98.6	Very high	32 Å²	32	48.7 Å²	48.7	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-43.5	-179.7	173.6	0	0	0	0	111.3	V507 P547 E553 Y554 Q555 L559 Q560 Q561	V507-V557 HydrophobicContact CB-CG1 3.97Å; V507-V557 HydrophobicContact CG1-CG1 4.05Å; V507-V557 HydrophobicContact CG2-CG1 3.79Å; P547-V557 HydrophobicContact CG-CG2 4.26Å; E553-V557 WeakPolarHBondContact O-CG2 3.41Å; E553-V557 PolarHBondContact O-N 3.11Å; Y554-V557 PolarHBondContact O-N 3.08Å; Y554-V557 VanDerWaalsContact O-N 3.13Å; Q555-V557 VanDerWaalsContact C-N 3.32Å; Q555-V557 PolarHBondContact O-N 3.2Å; V557-L559 PolarHBondContact O-N 2.71Å; V557-Q560 PolarHBondContact O-N 3.33Å; V557-Q561 HydrophobicContact CG1-CG 4.41Å; V557-Q561 WeakPolarHBondContact O-CG 3.28Å; V557-Q561 PolarHBondContact O-N 3.13Å
558	V	98.7	Very high	98.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.1	-52.5	174.9	170	0	0	0	0	110.5	V507 I510 A536 Y554 Q555 Q560 Q561 Y562	V507-V558 HydrophobicContact CG1-CG2 3.99Å; I510-V558 HydrophobicContact CD1-CB 4.35Å; I510-V558 HydrophobicContact CD1-CG1 4.15Å; I510-V558 HydrophobicContact CD1-CG2 4.26Å; A536-V558 HydrophobicContact CB-CG2 4.33Å; Y554-V558 HydrophobicContact CD1-CG2 3.75Å; Y554-V558 HydrophobicContact CE1-CG2 3.41Å; Y554-V558 VanDerWaalsContact CE1-CG2 3.41Å; Y554-V558 WeakPolarHBondContact O-CG2 3.41Å; Y554-V558 PolarHBondContact O-N 2.97Å; Q555-V558 PolarHBondContact O-N 2.85Å; V558-Q560 VanDerWaalsContact C-N 3.32Å; V558-Q560 PolarHBondContact O-N 2.82Å; V558-Q561 PolarHBondContact O-N 3.12Å; V558-Q561 VanDerWaalsContact O-N 3.15Å; V558-Y562 HydrophobicContact CG1-CD2 3.98Å; V558-Y562 HydrophobicContact CG1-CE2 4.04Å; V558-Y562 WeakPolarHBondContact O-CD2 3.48Å; V558-Y562 PolarHBondContact O-N 2.75Å
559	L	98.8	Very high	98.6	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-44.3	179.3	-66.2	178.1	0	0	0	111.4	Y534 Q555 V557 Q561 Y562 H563 I579	Y534-L559 HydrophobicContact CD2-CD2 3.84Å; Y534-L559 HydrophobicContact CE2-CD2 3.38Å; Q555-L559 HydrophobicContact CG-CD1 3.99Å; Q555-L559 HydrophobicContact CG-CG 4.26Å; Q555-L559 WeakPolarHBondContact O-CB 3.33Å; Q555-L559 VanDerWaalsContact O-CG 3.25Å; Q555-L559 WeakPolarHBondContact O-CG 3.34Å; Q555-L559 PolarHBondContact O-N 3.49Å; V557-L559 PolarHBondContact O-N 2.71Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-Q561 PolarHBondContact O-N 3.02Å; L559-Y562 PolarHBondContact O-N 3.25Å; L559-H563 WeakPolarHBondContact O-CB 3.08Å; L559-H563 PolarHBondContact O-CD2 3.01Å; L559-H563 PolarHBondContact O-N 2.87Å; L559-H563 PolarHBondContact O-ND1 3.35Å; L559-I579 HydrophobicContact CD1-CD1 3.8Å; L559-I579 HydrophobicContact CD2-CD1 3.56Å; L559-I579 HydrophobicContact CD2-CG1 4.06Å; L559-I579 HydrophobicContact CG-CD1 4.34Å
560	Q	98.7	Very high	98.4	Very high	105 Å²	105	51.3 Å²	51.3	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-60.2	-39.8	177.3	-75.2	176.6	-20.3	0	0	113.1	K556 V557 V558 G564	K556-Q560 WeakPolarHBondContact O-CB 3.4Å; K556-Q560 VanDerWaalsContact O-CG 3.22Å; K556-Q560 WeakPolarHBondContact O-CG 3.46Å; K556-Q560 PolarHBondContact O-N 2.79Å; V557-Q560 PolarHBondContact O-N 3.33Å; V558-Q560 VanDerWaalsContact C-N 3.32Å; V558-Q560 PolarHBondContact O-N 2.82Å; Q560-G564 PolarHBondContact O-N 2.89Å
561	Q	98.6	Very high	98.2	Very high	66 Å²	66	55.6 Å²	55.6	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-67.3	-42.4	177.1	-64.5	-59.2	-30.3	0	0	111.8	V507 I510 P511 V557 V558 L559 G564	V507-Q561 HydrophobicContact CB-CG 4.48Å; I510-Q561 HydrophobicContact CB-CB 3.84Å; I510-Q561 HydrophobicContact CD1-CB 3.77Å; I510-Q561 HydrophobicContact CD1-CG 4.2Å; I510-Q561 HydrophobicContact CG1-CB 4.43Å; I510-Q561 HydrophobicContact CG2-CB 3.76Å; P511-Q561 HydrophobicContact CG-CB 4.32Å; V557-Q561 HydrophobicContact CG1-CG 4.41Å; V557-Q561 WeakPolarHBondContact O-CG 3.28Å; V557-Q561 PolarHBondContact O-N 3.13Å; V558-Q561 PolarHBondContact O-N 3.12Å; V558-Q561 VanDerWaalsContact O-N 3.15Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-Q561 PolarHBondContact O-N 3.02Å; Q561-G564 PolarHBondContact O-N 2.59Å
562	Y	98.8	Very high	98.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-50.5	174.4	-91	-98.5	0	0	0	111.7	S496 Y497 F498 I510 L514 Y534 V558 L559 G564 V565 F566	S496-Y562 VanDerWaalsContact C-OH 3.26Å; S496-Y562 PolarHBondContact O-OH 3.28Å; Y497-Y562 WeakPolarHBondContact CA-OH 3.12Å; F498-Y562 WeakPolarHBondContact CD2-OH 3.39Å; F498-Y562 PolarHBondContact N-OH 2.84Å; I510-Y562 HydrophobicContact CB-CE2 4.46Å; I510-Y562 HydrophobicContact CD1-CD2 4.17Å; I510-Y562 HydrophobicContact CD1-CE2 4.08Å; I510-Y562 HydrophobicContact CG1-CE2 4.14Å; I510-Y562 HydrophobicContact CG2-CD2 3.39Å; I510-Y562 HydrophobicContact CG2-CE2 3.51Å; I510-Y562 HydrophobicContact CG2-CG 4.02Å; L514-Y562 HydrophobicContact CD1-CD1 4.49Å; L514-Y562 HydrophobicContact CD1-CE1 4.21Å; L514-Y562 HydrophobicContact CD2-CD1 3.41Å; L514-Y562 VanDerWaalsContact CD2-CD1 3.41Å; L514-Y562 HydrophobicContact CD2-CE1 3.83Å; L514-Y562 HydrophobicContact CD2-CG 3.99Å; Y534-Y562 VanDerWaalsContact CB-CE1 3.46Å; Y534-Y562 AromaticContact CD2-CD1 3.72Å; Y534-Y562 HydrophobicContact CD2-CD1 3.72Å; Y534-Y562 HydrophobicContact CD2-CD2 4.25Å; Y534-Y562 HydrophobicContact CD2-CE1 4.34Å; Y534-Y562 AromaticContact CD2-CG 3.66Å; Y534-Y562 HydrophobicContact CD2-CG 3.66Å; Y534-Y562 HydrophobicContact CE2-CG 4.38Å; Y534-Y562 AromaticContact CG-CD1 3.85Å; Y534-Y562 HydrophobicContact CG-CD1 3.85Å; Y534-Y562 HydrophobicContact CG-CE1 4.16Å; Y534-Y562 HydrophobicContact CG-CG 4.26Å; V558-Y562 HydrophobicContact CG1-CD2 3.98Å; V558-Y562 HydrophobicContact CG1-CE2 4.04Å; V558-Y562 WeakPolarHBondContact O-CD2 3.48Å; V558-Y562 PolarHBondContact O-N 2.75Å; L559-Y562 PolarHBondContact O-N 3.25Å; Y562-G564 VanDerWaalsContact C-N 3.25Å; Y562-G564 PolarHBondContact O-N 3Å; Y562-V565 PolarHBondContact O-N 3.36Å; Y562-F566 AromaticContact CD1-CE1 3.98Å; Y562-F566 HydrophobicContact CD1-CE1 3.98Å; Y562-F566 AromaticContact CD1-CZ 3.63Å; Y562-F566 HydrophobicContact CD1-CZ 3.63Å; Y562-F566 HydrophobicContact CG-CZ 4.24Å; Y562-F566 WeakPolarHBondContact O-CG 3.38Å; Y562-F566 PolarHBondContact O-N 3.45Å
563	H	98.8	Very high	98.1	Very high	68 Å²	68	58.7 Å²	58.7	32%	0.315	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-38.2	-179.9	-63	164.9	0	0	0	112.1	Y534 L559 V565 F566 D567 E577	Y534-H563 AromaticContact CE2-NE2 3.82Å; Y534-H563 AromaticContact CZ-NE2 3.83Å; Y534-H563 PolarHBondContact OH-NE2 3.26Å; L559-H563 WeakPolarHBondContact O-CB 3.08Å; L559-H563 PolarHBondContact O-CD2 3.01Å; L559-H563 PolarHBondContact O-N 2.87Å; L559-H563 PolarHBondContact O-ND1 3.35Å; H563-V565 PolarHBondContact O-N 3.21Å; H563-F566 AromaticContact CD2-CD2 3.76Å; H563-F566 AromaticContact CD2-CE2 3.78Å; H563-F566 PolarHBondContact O-N 3.01Å; H563-D567 PolarHBondContact O-N 3.21Å; H563-E577 IonicContact CD2-OE2 3.69Å; H563-E577 PolarHBondContact CD2-OE2 2.74Å; H563-E577 IonicContact NE2-OE2 3.9Å
564	G	98.4	Very high	98.1	Very high	32 Å²	32	55.6 Å²	55.6	33%	0.33	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-32	175.2	0	0	0	0	0	113.8	Q560 Q561 Y562 Q568	Q560-G564 PolarHBondContact O-N 2.89Å; Q561-G564 PolarHBondContact O-N 2.59Å; Y562-G564 VanDerWaalsContact C-N 3.25Å; Y562-G564 PolarHBondContact O-N 3Å; G564-Q568 WeakPolarHBondContact O-CG 3.25Å; G564-Q568 PolarHBondContact O-NE2 3.13Å
565	V	98.6	Very high	98.1	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-83	-40.5	174.6	-177.1	0	0	0	0	111.4	P511 L514 F518 Y562 H563 D567 Q568 K569	P511-V565 HydrophobicContact CB-CG2 4.02Å; L514-V565 HydrophobicContact CB-CG1 4.3Å; L514-V565 HydrophobicContact CB-CG2 4.3Å; L514-V565 HydrophobicContact CD2-CB 3.73Å; L514-V565 HydrophobicContact CD2-CG1 4.02Å; L514-V565 HydrophobicContact CD2-CG2 4.03Å; L514-V565 HydrophobicContact CG-CB 4.15Å; L514-V565 HydrophobicContact CG-CG1 3.88Å; L514-V565 HydrophobicContact CG-CG2 4.41Å; F518-V565 HydrophobicContact CD2-CG1 3.87Å; F518-V565 HydrophobicContact CE2-CG1 3.92Å; Y562-V565 PolarHBondContact O-N 3.36Å; H563-V565 PolarHBondContact O-N 3.21Å; V565-D567 PolarHBondContact O-N 2.94Å; V565-Q568 WeakPolarHBondContact O-CB 3.47Å; V565-Q568 PolarHBondContact O-N 2.97Å; V565-K569 PolarHBondContact O-N 3.42Å
566	F	98.6	Very high	98.1	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-55.6	-43.3	175.9	-57.3	-25.1	0	0	0	110.7	L514 F518 Q531 Y534 Y562 H563 Q568 K569 R570 E577	L514-F566 HydrophobicContact CD2-CD1 4.34Å; L514-F566 HydrophobicContact CD2-CE1 3.88Å; F518-F566 AromaticContact CE2-CD1 3.94Å; F518-F566 HydrophobicContact CE2-CD1 3.94Å; F518-F566 HydrophobicContact CE2-CE1 4.19Å; F518-F566 AromaticContact CZ-CD1 3.97Å; F518-F566 HydrophobicContact CZ-CD1 3.97Å; F518-F566 AromaticContact CZ-CE1 3.92Å; F518-F566 HydrophobicContact CZ-CE1 3.92Å; Q531-F566 HydrophobicContact CB-CE1 3.81Å; Q531-F566 HydrophobicContact CB-CZ 3.93Å; Q531-F566 HydrophobicContact CG-CE1 3.84Å; Q531-F566 HydrophobicContact CG-CZ 3.71Å; Y534-F566 HydrophobicContact CD1-CE2 4.42Å; Y534-F566 HydrophobicContact CD1-CZ 4.1Å; Y534-F566 HydrophobicContact CD2-CE2 4.42Å; Y534-F566 HydrophobicContact CD2-CZ 4.28Å; Y534-F566 AromaticContact CE1-CE2 3.92Å; Y534-F566 HydrophobicContact CE1-CE2 3.92Å; Y534-F566 HydrophobicContact CE1-CZ 4.05Å; Y534-F566 AromaticContact CE2-CE2 3.91Å; Y534-F566 HydrophobicContact CE2-CE2 3.91Å; Y534-F566 HydrophobicContact CE2-CZ 4.22Å; Y534-F566 HydrophobicContact CG-CZ 4.23Å; Y534-F566 AromaticContact CZ-CE2 3.67Å; Y562-F566 AromaticContact CD1-CE1 3.98Å; Y562-F566 HydrophobicContact CD1-CE1 3.98Å; Y562-F566 AromaticContact CD1-CZ 3.63Å; Y562-F566 HydrophobicContact CD1-CZ 3.63Å; Y562-F566 HydrophobicContact CG-CZ 4.24Å; Y562-F566 WeakPolarHBondContact O-CG 3.38Å; Y562-F566 PolarHBondContact O-N 3.45Å; H563-F566 AromaticContact CD2-CD2 3.76Å; H563-F566 AromaticContact CD2-CE2 3.78Å; H563-F566 PolarHBondContact O-N 3.01Å; F566-Q568 PolarHBondContact O-N 3.44Å; F566-Q568 VanDerWaalsContact O-N 3.14Å; F566-K569 CarbonylContact O-C 3.57Å; F566-K569 PolarHBondContact O-N 3.14Å; F566-R570 VanDerWaalsContact O-CB 3.24Å; F566-R570 WeakPolarHBondContact O-CB 3.42Å; F566-R570 WeakPolarHBondContact O-CG 3.5Å; F566-R570 PolarHBondContact O-N 3.29Å; F566-E577 HydrophobicContact CD2-CB 3.89Å; F566-E577 VanDerWaalsContact CD2-CD 3.44Å; F566-E577 HydrophobicContact CD2-CG 4.29Å; F566-E577 WeakPolarHBondContact CD2-OE2 3.48Å; F566-E577 HydrophobicContact CE2-CB 3.7Å; F566-E577 HydrophobicContact CE2-CG 4.41Å; F566-E577 HydrophobicContact CZ-CB 4.24Å
567	D	98.4	Very high	98.1	Very high	91 Å²	91	48.1 Å²	48.1	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-55.3	-32.5	175.6	-90.2	-26.3	0	0	0	114	H563 V565 K569 R570	H563-D567 PolarHBondContact O-N 3.21Å; V565-D567 PolarHBondContact O-N 2.94Å; D567-K569 VanDerWaalsContact C-N 3.35Å; D567-R570 IonicContact OD1-CZ 3.01Å; D567-R570 IonicContact OD1-NE 3.32Å; D567-R570 PolarHBondContact OD1-NE 3.45Å; D567-R570 IonicContact OD1-NH2 2.72Å; D567-R570 PolarHBondContact OD1-NH2 3.1Å
568	Q	98	Very high	98.1	Very high	98 Å²	98	46.6 Å²	46.6	46%	0.458	22%	0.219	S	C	.	.	H	α-helix	trans	-76.2	-23	179	-60.5	168.2	39.3	0	0	113	N515 G564 V565 F566 K572	N515-Q568 PolarHBondContact ND2-OE1 2.91Å; G564-Q568 WeakPolarHBondContact O-CG 3.25Å; G564-Q568 PolarHBondContact O-NE2 3.13Å; V565-Q568 WeakPolarHBondContact O-CB 3.47Å; V565-Q568 PolarHBondContact O-N 2.97Å; F566-Q568 PolarHBondContact O-N 3.44Å; F566-Q568 VanDerWaalsContact O-N 3.14Å; Q568-K572 PolarHBondContact O-NZ 3.18Å
569	K	97.7	Very high	98.1	Very high	12 Å²	12	48.1 Å²	48.1	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-119.2	-19	-169.8	-53.7	-65.2	-173.8	168.1	0	114.3	N515 F518 E519 V565 F566 D567 K571 K572 Y573 V574	N515-K569 WeakPolarHBondContact OD1-CE 3.24Å; F518-K569 HydrophobicContact CD2-CG 4.02Å; E519-K569 IonicContact OE1-NZ 2.8Å; E519-K569 PolarHBondContact OE1-NZ 3.4Å; V565-K569 PolarHBondContact O-N 3.42Å; F566-K569 CarbonylContact O-C 3.57Å; F566-K569 PolarHBondContact O-N 3.14Å; D567-K569 VanDerWaalsContact C-N 3.35Å; K569-K571 PolarHBondContact O-N 3.16Å; K569-K571 VanDerWaalsContact O-N 3.12Å; K569-K572 WeakPolarHBondContact O-CA 3.45Å; K569-K572 WeakPolarHBondContact O-CB 3.39Å; K569-K572 PolarHBondContact O-N 3.12Å; K569-Y573 PolarHBondContact O-N 3.38Å; K569-V574 HydrophobicContact CB-CB 3.93Å; K569-V574 HydrophobicContact CB-CG2 3.5Å; K569-V574 VanDerWaalsContact CB-CG2 3.5Å; K569-V574 HydrophobicContact CG-CG2 4.4Å; K569-V574 PolarHBondContact O-N 3.22Å
570	R	95.8	Very high	98.1	Very high	115 Å²	115	48.3 Å²	48.3	43%	0.434	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.7	-174.5	67.4	176.2	176.9	144	-10.8	116.3	Y337 F566 D567 V574	Y337-R570 HydrophobicContact CD2-CB 4.18Å; Y337-R570 HydrophobicContact CE2-CB 3.41Å; Y337-R570 VanDerWaalsContact CE2-CB 3.41Å; F566-R570 VanDerWaalsContact O-CB 3.24Å; F566-R570 WeakPolarHBondContact O-CB 3.42Å; F566-R570 WeakPolarHBondContact O-CG 3.5Å; F566-R570 PolarHBondContact O-N 3.29Å; D567-R570 IonicContact OD1-CZ 3.01Å; D567-R570 IonicContact OD1-NE 3.32Å; D567-R570 PolarHBondContact OD1-NE 3.45Å; D567-R570 IonicContact OD1-NH2 2.72Å; D567-R570 PolarHBondContact OD1-NH2 3.1Å; R570-V574 CarbonylContact C-O 3.58Å; R570-V574 VanDerWaalsContact CA-O 3.26Å; R570-V574 WeakPolarHBondContact CA-O 3.17Å
571	K	93.6	Very high	98.1	Very high	183 Å²	183	44.8 Å²	44.8	80%	0.796	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	10.7	173.3	-64.4	-179	-179.5	174	0	112.8	K569	K569-K571 PolarHBondContact O-N 3.16Å; K569-K571 VanDerWaalsContact O-N 3.12Å
572	K	97.5	Very high	98.2	Very high	124 Å²	124	43.6 Å²	43.6	54%	0.539	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-79.2	-178.3	-60.1	177.2	-179	163.9	0	109.5	T327 Q568 K569	T327-K572 WeakPolarHBondContact CB-O 3.13Å; Q568-K572 PolarHBondContact O-NZ 3.18Å; K569-K572 WeakPolarHBondContact O-CA 3.45Å; K569-K572 WeakPolarHBondContact O-CB 3.39Å; K569-K572 PolarHBondContact O-N 3.12Å
573	Y	98.2	Very high	98.2	Very high	19 Å²	19	46 Å²	46	8%	0.075	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.6	-7.1	-173.5	54.3	-100.8	0	0	0	113.6	T327 F518 Y522 P528 I529 K569	T327-Y573 WeakPolarHBondContact O-CA 3.24Å; F518-Y573 HydrophobicContact CB-CE2 4.06Å; F518-Y573 WeakPolarHBondContact O-CE2 3.45Å; F518-Y573 PolarHBondContact O-OH 2.75Å; Y522-Y573 AromaticContact CD1-CD1 3.55Å; Y522-Y573 HydrophobicContact CD1-CD1 3.55Å; Y522-Y573 HydrophobicContact CD1-CD2 4.31Å; Y522-Y573 AromaticContact CD1-CE1 3.66Å; Y522-Y573 HydrophobicContact CD1-CE1 3.66Å; Y522-Y573 HydrophobicContact CD1-CE2 4.36Å; Y522-Y573 AromaticContact CD1-CG 3.9Å; Y522-Y573 HydrophobicContact CD1-CG 3.9Å; Y522-Y573 AromaticContact CD2-CD1 3.97Å; Y522-Y573 HydrophobicContact CD2-CD1 3.97Å; Y522-Y573 AromaticContact CD2-CD2 3.64Å; Y522-Y573 HydrophobicContact CD2-CD2 3.64Å; Y522-Y573 HydrophobicContact CD2-CE2 4.31Å; Y522-Y573 AromaticContact CD2-CG 3.43Å; Y522-Y573 HydrophobicContact CD2-CG 3.43Å; Y522-Y573 VanDerWaalsContact CD2-CG 3.43Å; Y522-Y573 AromaticContact CE1-CD1 3.68Å; Y522-Y573 HydrophobicContact CE1-CD1 3.68Å; Y522-Y573 HydrophobicContact CE1-CE1 4.14Å; Y522-Y573 HydrophobicContact CE1-CG 4.14Å; Y522-Y573 HydrophobicContact CE2-CD1 4.11Å; Y522-Y573 HydrophobicContact CE2-CD2 4.37Å; Y522-Y573 AromaticContact CE2-CG 3.72Å; Y522-Y573 HydrophobicContact CE2-CG 3.72Å; Y522-Y573 AromaticContact CG-CD1 3.71Å; Y522-Y573 HydrophobicContact CG-CD1 3.71Å; Y522-Y573 AromaticContact CG-CD2 3.62Å; Y522-Y573 HydrophobicContact CG-CD2 3.62Å; Y522-Y573 AromaticContact CG-CE1 3.94Å; Y522-Y573 HydrophobicContact CG-CE1 3.94Å; Y522-Y573 AromaticContact CG-CE2 3.82Å; Y522-Y573 HydrophobicContact CG-CE2 3.82Å; Y522-Y573 AromaticContact CG-CG 3.55Å; Y522-Y573 HydrophobicContact CG-CG 3.55Å; Y522-Y573 AromaticContact CG-CZ 3.97Å; Y522-Y573 AromaticContact CZ-CD1 3.97Å; P528-Y573 CarbonylContact C-O 3.58Å; P528-Y573 VanDerWaalsContact CA-O 3.28Å; P528-Y573 WeakPolarHBondContact CA-O 3.31Å; I529-Y573 HydrophobicContact CD1-CD2 4.03Å; I529-Y573 HydrophobicContact CD1-CE2 4.09Å; I529-Y573 HydrophobicContact CG1-CD2 4.42Å; I529-Y573 PolarHBondContact N-O 3.2Å; K569-Y573 PolarHBondContact O-N 3.38Å
574	V	98.8	Very high	98.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.3	165.8	175.3	0	0	0	0	106.8	Y337 F518 I529 K569 R570	Y337-V574 HydrophobicContact CE2-CG1 4.48Å; F518-V574 HydrophobicContact CD1-CG2 3.81Å; F518-V574 HydrophobicContact CD2-CG2 4.13Å; F518-V574 HydrophobicContact CE1-CG2 3.8Å; F518-V574 HydrophobicContact CE2-CG2 4.1Å; F518-V574 HydrophobicContact CG-CG2 3.99Å; F518-V574 HydrophobicContact CZ-CG1 4.45Å; F518-V574 HydrophobicContact CZ-CG2 3.95Å; I529-V574 HydrophobicContact CB-CG2 4.45Å; I529-V574 CarbonylContact O-C 3.46Å; I529-V574 VanDerWaalsContact O-CA 3.31Å; I529-V574 WeakPolarHBondContact O-CA 3.08Å; K569-V574 HydrophobicContact CB-CB 3.93Å; K569-V574 HydrophobicContact CB-CG2 3.5Å; K569-V574 VanDerWaalsContact CB-CG2 3.5Å; K569-V574 HydrophobicContact CG-CG2 4.4Å; K569-V574 PolarHBondContact O-N 3.22Å; R570-V574 CarbonylContact C-O 3.58Å; R570-V574 VanDerWaalsContact CA-O 3.26Å; R570-V574 WeakPolarHBondContact CA-O 3.17Å
575	I	98.8	Very high	98.1	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	1.5	-173.4	57.4	158.5	0	0	0	112	T327 F329 Y337 F338 V491 P528 I529 I530	T327-I575 VanDerWaalsContact O-CG2 3.26Å; T327-I575 WeakPolarHBondContact O-CG2 3.4Å; F329-I575 HydrophobicContact CB-CB 4.48Å; F329-I575 HydrophobicContact CB-CD1 3.69Å; F329-I575 HydrophobicContact CD2-CD1 4.04Å; F329-I575 HydrophobicContact CG-CD1 4.31Å; Y337-I575 CarbonylContact C-O 3.55Å; Y337-I575 VanDerWaalsContact CA-O 3.28Å; Y337-I575 WeakPolarHBondContact CA-O 3.47Å; Y337-I575 WeakPolarHBondContact CD2-O 3.13Å; Y337-I575 VanDerWaalsContact CE2-C 3.46Å; F338-I575 WeakPolarHBondContact CD2-O 3.07Å; F338-I575 HydrophobicContact CE2-CD1 4.43Å; F338-I575 PolarHBondContact N-O 3.36Å; V491-I575 HydrophobicContact CG1-CD1 3.84Å; V491-I575 HydrophobicContact CG2-CD1 4.38Å; P528-I575 HydrophobicContact CB-CD1 3.77Å; P528-I575 HydrophobicContact CB-CG1 3.93Å; P528-I575 HydrophobicContact CB-CG2 3.8Å; P528-I575 HydrophobicContact CG-CD1 4.14Å; I529-I575 WeakPolarHBondContact O-CG1 3.37Å; I529-I575 PolarHBondContact O-N 2.83Å; I530-I575 HydrophobicContact CD1-CD1 4.22Å; I530-I575 HydrophobicContact CD1-CG1 4.47Å; I530-I575 HydrophobicContact CG1-CD1 3.93Å; I530-I575 HydrophobicContact CG1-CG1 3.7Å
576	G	98.8	Very high	98.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	155.6	-179.8	0	0	0	0	0	115.5	F338 I530 Q531	F338-G576 CarbonylContact O-C 3.54Å; F338-G576 WeakPolarHBondContact O-CA 3.48Å; I530-G576 WeakPolarHBondContact CA-O 3.28Å; Q531-G576 PolarHBondContact N-O 3.25Å
577	E	98.8	Very high	98	Very high	30 Å²	30	55.1 Å²	55.1	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	125.8	173.5	61.4	-166.4	96.3	0	0	109.5	Y337 F338 G340 Q531 Y534 H563 F566	Y337-E577 HydrophobicContact CE1-CG 3.94Å; Y337-E577 WeakPolarHBondContact CE1-OE1 3.34Å; Y337-E577 VanDerWaalsContact CZ-OE1 3.27Å; Y337-E577 PolarHBondContact OH-OE1 3.35Å; F338-E577 PolarHBondContact O-N 3.31Å; G340-E577 PolarHBondContact N-O 3.21Å; G340-E577 VanDerWaalsContact N-O 3.08Å; Q531-E577 WeakPolarHBondContact O-CA 3.17Å; Y534-E577 HydrophobicContact CE1-CB 4.21Å; H563-E577 IonicContact CD2-OE2 3.69Å; H563-E577 PolarHBondContact CD2-OE2 2.74Å; H563-E577 IonicContact NE2-OE2 3.9Å; F566-E577 HydrophobicContact CD2-CB 3.89Å; F566-E577 VanDerWaalsContact CD2-CD 3.44Å; F566-E577 HydrophobicContact CD2-CG 4.29Å; F566-E577 WeakPolarHBondContact CD2-OE2 3.48Å; F566-E577 HydrophobicContact CE2-CB 3.7Å; F566-E577 HydrophobicContact CE2-CG 4.41Å; F566-E577 HydrophobicContact CZ-CB 4.24Å
578	L	98.9	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	108	179.4	-58.1	177.3	0	0	0	108.5	F338 G340 N342 R375 I397 I530 Q531 S532 Y534	F338-L578 HydrophobicContact CB-CD2 4.4Å; G340-L578 WeakPolarHBondContact O-CA 3.37Å; N342-L578 PolarHBondContact ND2-O 3.07Å; R375-L578 HydrophobicContact CB-CD1 4.06Å; I397-L578 HydrophobicContact CD1-CD1 3.94Å; I530-L578 HydrophobicContact CG2-CD1 4.31Å; I530-L578 HydrophobicContact CG2-CG 4.34Å; Q531-L578 PolarHBondContact O-N 2.93Å; S532-L578 CarbonylContact C-O 3.58Å; S532-L578 WeakPolarHBondContact O-CB 3.3Å; Y534-L578 WeakPolarHBondContact CD1-O 3.44Å
579	I	98.8	Very high	97.1	Very high	33 Å²	33	56.9 Å²	56.9	17%	0.169	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140	179.6	-173.7	172.6	0	0	0	110.4	G340 V341 N342 Y534 L559	G340-I579 PolarHBondContact O-N 3.23Å; V341-I579 HydrophobicContact CB-CG2 4.13Å; V341-I579 HydrophobicContact CG1-CG2 3.68Å; N342-I579 PolarHBondContact N-O 3.13Å; N342-I579 PolarHBondContact ND2-O 2.63Å; Y534-I579 HydrophobicContact CE1-CB 4.07Å; L559-I579 HydrophobicContact CD1-CD1 3.8Å; L559-I579 HydrophobicContact CD2-CD1 3.56Å; L559-I579 HydrophobicContact CD2-CG1 4.06Å; L559-I579 HydrophobicContact CG-CD1 4.34Å
580	W	98.8	Very high	95.8	Very high	30 Å²	30	59.5 Å²	59.5	11%	0.114	31%	0.308	C	S	.	.	S	Bend	trans	-97.9	113.4	167.4	-170.8	-101.6	0	0	0	109	N342 H344 H378 Y497 E533 Y534 F585	N342-W580 HydrophobicContact CB-CD2 4.42Å; N342-W580 HydrophobicContact CB-CE3 3.3Å; N342-W580 HydrophobicContact CB-CZ3 3.54Å; H344-W580 AromaticContact CD2-CH2 3.87Å; H344-W580 AromaticContact NE2-CH2 3.3Å; H344-W580 VanDerWaalsContact NE2-CH2 3.3Å; H344-W580 WeakPolarHBondContact NE2-CH2 3.49Å; H344-W580 AromaticContact NE2-CZ2 3.78Å; H378-W580 AromaticContact CE1-CH2 3.94Å; H378-W580 AromaticContact NE2-CH2 3.3Å; H378-W580 VanDerWaalsContact NE2-CH2 3.3Å; H378-W580 WeakPolarHBondContact NE2-CH2 3.4Å; H378-W580 AromaticContact NE2-CZ3 3.82Å; Y497-W580 HydrophobicContact CE1-CB 4.22Å; Y497-W580 HydrophobicContact CE1-CG 4.48Å; Y497-W580 VanDerWaalsContact OH-CB 3.25Å; Y497-W580 WeakPolarHBondContact OH-CB 3.45Å; Y497-W580 VanDerWaalsContact OH-CD1 3.23Å; E533-W580 HydrophobicContact CB-CB 4.15Å; E533-W580 HydrophobicContact CG-CB 4.36Å; E533-W580 HydrophobicContact CG-CD2 4.32Å; E533-W580 HydrophobicContact CG-CE3 3.76Å; E533-W580 HydrophobicContact CG-CZ3 4.43Å; Y534-W580 PolarHBondContact O-N 2.85Å; W580-F585 AromaticContact CE2-CE1 3.94Å; W580-F585 AromaticContact CZ2-CE1 3.69Å; W580-F585 HydrophobicContact CZ2-CE1 3.69Å; W580-F585 AromaticContact CZ2-CZ 3.54Å; W580-F585 HydrophobicContact CZ2-CZ 3.54Å; W580-F585 AromaticContact NE1-CE1 3.95Å
581	N	98.6	Very high	93.7	Very high	31 Å²	31	62.4 Å²	62.4	17%	0.166	33%	0.326	C	S	.	.			cis	-126.2	179.7	-3.6	-161.9	-74.2	0	0	0	109.7	N342 K343 A583 F585	N342-N581 PolarHBondContact O-OD1 2.92Å; N342-N581 VanDerWaalsContact O-OD1 3.07Å; K343-N581 WeakPolarHBondContact CA-OD1 3.41Å; N581-A583 VanDerWaalsContact C-N 3.34Å; N581-F585 HydrophobicContact CB-CD1 4.4Å; N581-F585 HydrophobicContact CB-CE1 4.18Å
582	F	98.8	Very high	91.7	Very high	40 Å²	40	58.2 Å²	58.2	18%	0.175	32%	0.318	C	S	.	.	S	Bend	trans	-65.6	-36.6	171.9	174	-96	0	0	0	112.8	V341 N342 K343 D362 L365 M366	V341-F582 HydrophobicContact CB-CB 4.08Å; V341-F582 HydrophobicContact CB-CD2 4.45Å; V341-F582 HydrophobicContact CG1-CD2 4.32Å; V341-F582 HydrophobicContact CG2-CB 4Å; V341-F582 HydrophobicContact CG2-CD2 3.94Å; V341-F582 HydrophobicContact CG2-CG 4.38Å; N342-F582 WeakPolarHBondContact O-CB 3.18Å; N342-F582 PolarHBondContact O-N 2.93Å; K343-F582 HydrophobicContact CD-CG 4.42Å; K343-F582 HydrophobicContact CG-CB 3.7Å; K343-F582 HydrophobicContact CG-CG 4.06Å; D362-F582 HydrophobicContact CB-CE1 4.14Å; D362-F582 HydrophobicContact CB-CZ 4.02Å; D362-F582 VanDerWaalsContact CG-CE1 3.5Å; D362-F582 VanDerWaalsContact OD1-CE1 3.29Å; D362-F582 WeakPolarHBondContact OD1-CE1 3.49Å; L365-F582 HydrophobicContact CB-CE2 3.93Å; L365-F582 HydrophobicContact CB-CZ 3.69Å; L365-F582 HydrophobicContact CD1-CE1 4.39Å; L365-F582 HydrophobicContact CD1-CZ 3.8Å; L365-F582 HydrophobicContact CG-CZ 4.42Å; M366-F582 HydrophobicContact CG-CD2 4.15Å; M366-F582 HydrophobicContact CG-CE2 3.7Å
583	A	98.8	Very high	89.3	Confident	51 Å²	51	59.9 Å²	59.9	42%	0.421	33%	0.327	S	S	.	.	S	Bend	trans	-153.5	159.7	178.4	0	0	0	0	0	109.7	N581	N581-A583 VanDerWaalsContact C-N 3.34Å
584	D	98.7	Very high	86.8	Confident	129 Å²	129	65.5 Å²	65.5	69%	0.69	36%	0.358	S	S	*	.			trans	-59.6	147.7	169.2	-53.2	-21.8	0	0	0	109.9
585	F	98.4	Very high	86.2	Confident	41 Å²	41	68.8 Å²	68.8	18%	0.18	38%	0.376	C	S	.	.			trans	-146.3	165.6	-177.6	62.4	-91	0	0	0	110.7	D200 F201 H344 D346 W580 N581 T587	D200-F585 WeakPolarHBondContact O-CE2 3.45Å; F201-F585 HydrophobicContact CB-CD2 4.37Å; F201-F585 HydrophobicContact CB-CE2 4.24Å; H344-F585 HydrophobicContact CB-CB 4.38Å; H344-F585 AromaticContact CD2-CD1 3.84Å; H344-F585 AromaticContact CD2-CE1 3.97Å; H344-F585 AromaticContact CD2-CG 3.88Å; D346-F585 HydrophobicContact CB-CB 3.74Å; W580-F585 AromaticContact CE2-CE1 3.94Å; W580-F585 AromaticContact CZ2-CE1 3.69Å; W580-F585 HydrophobicContact CZ2-CE1 3.69Å; W580-F585 AromaticContact CZ2-CZ 3.54Å; W580-F585 HydrophobicContact CZ2-CZ 3.54Å; W580-F585 AromaticContact NE1-CE1 3.95Å; N581-F585 HydrophobicContact CB-CD1 4.4Å; N581-F585 HydrophobicContact CB-CE1 4.18Å; F585-T587 HydrophobicContact CD2-CG2 4.21Å; F585-T587 HydrophobicContact CE2-CG2 3.69Å
586	M	98	Very high	85.5	Confident	75 Å²	75	72.1 Å²	72.1	37%	0.369	39%	0.394	S	S	.	.			trans	-83	140.4	-175.6	-169.9	58.7	56.1	0	0	113.1	F202 Y204 D346	F202-M586 HydrophobicContact CB-CB 4.15Å; F202-M586 HydrophobicContact CB-CG 3.83Å; F202-M586 HydrophobicContact CG-CG 4.19Å; F202-M586 PolarHBondContact N-O 3.03Å; Y204-M586 HydrophobicContact CE2-CB 3.88Å; Y204-M586 HydrophobicContact CE2-CG 4.33Å; Y204-M586 WeakPolarHBondContact OH-CB 3.49Å; Y204-M586 WeakPolarHBondContact OH-CG 3.29Å; D346-M586 PolarHBondContact OD2-N 3.21Å; D346-M586 VanDerWaalsContact OD2-N 3.11Å
587	T	96.6	Very high	84.8	Confident	49 Å²	49	76.1 Å²	76.1	30%	0.301	42%	0.416	S	S	.	.			trans	-123.1	172.8	175.2	62.2	0	0	0	0	111.7	D200 F585	D200-T587 VanDerWaalsContact OD1-CG2 3.23Å; D200-T587 WeakPolarHBondContact OD1-CG2 3.35Å; F585-T587 HydrophobicContact CD2-CG2 4.21Å; F585-T587 HydrophobicContact CE2-CG2 3.69Å
588	T	92.1	Very high	84	Confident	70 Å²	70	78.8 Å²	78.8	43%	0.429	43%	0.432	S	S	.	.			trans	-67.7	146.1	170.7	-59.4	0	0	0	0	109.9	G590	T588-G590 PolarHBondContact O-N 3.47Å
589	Q	84.1	Confident	83.1	Confident	155 Å²	155	83.7 Å²	83.7	72%	0.724	46%	0.459	S	S	*	.	S	Bend	trans	-67.8	118.2	173.7	-64.4	-179.9	10.4	0	0	109.8
590	G	71	Confident	82	Confident	68 Å²	68	87.1 Å²	87.1	70%	0.701	48%	0.478	S	S	*	.	S	Bend	trans	171.2	-178.1	-179	0	0	0	0	0	112.3	T588	T588-G590 PolarHBondContact O-N 3.47Å
591	E	51.7	Low	80.8	Confident	175 Å²	175	91.1 Å²	91.1	82%	0.818	50%	0.504	S	S	*	.	S	Bend	trans	-71.2	145	163.5	-66.8	-176.7	176.3	0	0	108.4	E593	E591-E593 PolarHBondContact O-N 2.73Å
592	P	51.1	Low	79.4	Confident	96 Å²	96	95.8 Å²	95.8	62%	0.623	53%	0.53	S	S	*	.			trans	-58.2	109.6	170	-17.4	29.1	0	0	0	108.7
593	E	48.2	Very low	77.8	Confident	159 Å²	159	100.4 Å²	100.4	74%	0.743	56%	0.56	S	S	*	*			trans	-88.6	121.7	174.3	-73.1	-171	170.4	0	0	108.8	E591	E591-E593 PolarHBondContact O-N 2.73Å
594	L	45.4	Very low	75.9	Confident	137 Å²	137	104.9 Å²	104.9	72%	0.717	57%	0.572	S	S	*	*			trans	-78.4	0	171.7	-75.1	161.5	0	0	0	112	Y501	Y501-L594 HydrophobicContact CD1-CD1 4.12Å; Y501-L594 HydrophobicContact CD1-CD2 3.79Å; Y501-L594 HydrophobicContact CD1-CG 4.19Å; Y501-L594 HydrophobicContact CD2-CD2 3.43Å; Y501-L594 VanDerWaalsContact CD2-CD2 3.43Å; Y501-L594 HydrophobicContact CE1-CD2 4.13Å; Y501-L594 HydrophobicContact CE2-CD2 3.83Å; Y501-L594 HydrophobicContact CG-CD1 4.07Å; Y501-L594 HydrophobicContact CG-CD2 3.45Å; Y501-L594 VanDerWaalsContact CG-CD2 3.45Å; Y501-L594 HydrophobicContact CG-CG 4.21Å

Retrieved 594 of 594 residues in 169.1 ms (Link to these results)

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