A0A060INS8_CAPHI Loading...

Pro-cathepsin H

Important for the overall degradation of proteins in lysosomes.

AlphaFold DB , UniProt , Accession A0A060INS8, Species CAPHI (Capra hircus, Goat), Gene CTSH, Length 335 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.1	Very low	36.1	Very low	230 Å²	230	144 Å²	144	100%	1.133	85%	0.845	S	S	*	*				0	122.6	0	-74	179.8	-150.3	0	0	106.3
2	W	32	Very low	36.4	Very low	241 Å²	241	139.8 Å²	139.8	91%	0.913	84%	0.839	S	S	*	*			cis	-149.9	166.4	16.1	-99.5	20.2	0	0	0	109.3
3	A	37.1	Very low	36.4	Very low	88 Å²	88	147.3 Å²	147.3	73%	0.727	84%	0.844	S	S	*	*			trans	-68.4	156.6	-173.6	0	0	0	0	0	114.7
4	V	36.1	Very low	36.7	Very low	143 Å²	143	148.3 Å²	148.3	87%	0.867	84%	0.843	S	S	*	*			trans	-125.6	106.8	158.4	-175.9	0	0	0	0	108.2
5	L	36.8	Very low	36.9	Very low	133 Å²	133	149.9 Å²	149.9	70%	0.696	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-79.3	148.1	159.8	-105.8	89.8	0	0	0	108.8	L7	L5-L7 HydrophobicContact CD2-CD1 4.36Å
6	P	39.8	Very low	36.9	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-102.6	119.2	147.4	18.7	-1.1	0	0	0	109.6
7	L	36.3	Very low	36.9	Very low	157 Å²	157	142 Å²	142	82%	0.822	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-70.4	136.3	165.7	-115.7	94.6	0	0	0	109.8	L5	L5-L7 HydrophobicContact CD2-CD1 4.36Å
8	L	38.8	Very low	36.9	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-56.1	141.5	166.1	-74.2	134.1	0	0	0	112.2
9	C	34.3	Very low	37.1	Very low	136 Å²	136	138.6 Å²	138.6	92%	0.919	83%	0.833	S	S	*	*			trans	-130.1	116.9	143.3	-96.9	0	0	0	0	109
10	A	37.4	Very low	37	Very low	104 Å²	104	138.4 Å²	138.4	86%	0.86	84%	0.837	S	S	*	*			trans	-82.4	160	171.8	0	0	0	0	0	111.5
11	G	32.4	Very low	37.5	Very low	72 Å²	72	134.7 Å²	134.7	74%	0.742	83%	0.827	S	S	*	*			trans	132.4	73.2	168	0	0	0	0	0	112.1
12	A	39.4	Very low	38.5	Very low	93 Å²	93	128.5 Å²	128.5	77%	0.769	81%	0.812	S	S	*	*				67.3	120.1	97.1	0	0	0	0	0	113.9
13	W	37.2	Very low	40	Very low	238 Å²	238	121.5 Å²	121.5	90%	0.902	81%	0.806	S	S	*	*				-177.5	96.4	124.4	-101	67	0	0	0	108.3	L15	W13-L15 PolarHBondContact O-N 3.07Å
14	L	40.3	Very low	41.9	Very low	161 Å²	161	124.4 Å²	124.4	84%	0.843	80%	0.804	S	S	*	*			trans	30.2	84.7	142.6	-66.2	150.4	0	0	0	118.1
15	L	40.2	Very low	44.4	Very low	172 Å²	172	120.4 Å²	120.4	90%	0.901	78%	0.778	S	S	*	*			trans	-113.6	113.6	144.5	-74.9	170.7	0	0	0	106.6	W13 A17	W13-L15 PolarHBondContact O-N 3.07Å; L15-A17 PolarHBondContact O-N 3.01Å
16	G	36.3	Very low	47	Very low	74 Å²	74	118.4 Å²	118.4	76%	0.763	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-51.4	126.8	176.8	0	0	0	0	0	109.5
17	A	36.3	Very low	49.7	Very low	92 Å²	92	113.7 Å²	113.7	76%	0.76	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-51.6	130.6	165.4	0	0	0	0	0	107.4	L15 A19	L15-A17 PolarHBondContact O-N 3.01Å; A17-A19 PolarHBondContact O-N 3.27Å
18	P	38.1	Very low	52.5	Low	122 Å²	122	109.8 Å²	109.8	79%	0.792	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-59.2	120.5	172.4	24.9	-30.1	0	0	0	106.3	C20	P18-C20 PolarHBondContact O-N 3.18Å
19	A	39.9	Very low	55.2	Low	97 Å²	97	107 Å²	107	80%	0.802	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-48.6	117.5	164.3	0	0	0	0	0	106.3	A17 G21	A17-A19 PolarHBondContact O-N 3.27Å; A19-G21 PolarHBondContact O-N 2.99Å
20	C	35.6	Very low	58.1	Low	134 Å²	134	105.7 Å²	105.7	91%	0.905	71%	0.707	S	S	*	*			trans	-64.8	87.9	175.5	-159.7	0	0	0	0	106.3	P18 A22	P18-C20 PolarHBondContact O-N 3.18Å; C20-A22 PolarHBondContact O-N 3.22Å
21	G	46.9	Very low	61	Low	61 Å²	61	101.4 Å²	101.4	63%	0.629	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.6	171.6	0	0	0	0	0	107.2	A19 A23	A19-G21 PolarHBondContact O-N 2.99Å; G21-A23 PolarHBondContact O-N 3.34Å; G21-A23 VanDerWaalsContact O-N 3.11Å
22	A	56.8	Low	64.1	Low	101 Å²	101	102.5 Å²	102.5	84%	0.835	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-50.2	124	173.1	0	0	0	0	0	108.4	C20 E24	C20-A22 PolarHBondContact O-N 3.22Å; A22-E24 PolarHBondContact O-N 3.34Å
23	A	63	Low	66.8	Low	93 Å²	93	103.9 Å²	103.9	77%	0.769	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-56.9	126.5	-178.2	0	0	0	0	0	109.6	G21 L25	G21-A23 PolarHBondContact O-N 3.34Å; G21-A23 VanDerWaalsContact O-N 3.11Å; A23-L25 PolarHBondContact O-N 2.99Å
24	E	78.8	Confident	69.7	Low	150 Å²	150	96.2 Å²	96.2	70%	0.701	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-64.3	131.9	-177.9	-162	171.5	-170.3	0	0	110	A22 A26 Q56	A22-E24 PolarHBondContact O-N 3.34Å; E24-A26 PolarHBondContact O-N 3.31Å; E24-Q56 HydrophobicContact CG-CG 4.4Å
25	L	86.9	Confident	72.4	Confident	59 Å²	59	88.6 Å²	88.6	31%	0.309	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-71.3	134	-177.1	-59.1	166.7	0	0	0	109.4	A23 V27 Q56	A23-L25 PolarHBondContact O-N 2.99Å; L25-V27 PolarHBondContact O-N 3.16Å; L25-Q56 VanDerWaalsContact CB-OE1 3.23Å; L25-Q56 VanDerWaalsContact N-OE1 3.1Å; L25-Q56 PolarHBondContact O-NE2 2.98Å; L25-Q56 PolarHBondContact O-OE1 3.24Å
26	A	93	Very high	75.2	Confident	91 Å²	91	85.4 Å²	85.4	75%	0.752	56%	0.557	S	S	*	*			trans	-71.4	99	166.6	0	0	0	0	0	109.4	E24 R63	E24-A26 PolarHBondContact O-N 3.31Å; A26-R63 PolarHBondContact O-NH2 3.4Å
27	V	95.1	Very high	78.1	Confident	20 Å²	20	84.5 Å²	84.5	12%	0.121	54%	0.538	C	S	.	.			trans	-82.6	123.7	-178.3	-174.7	0	0	0	0	111	L25 E31 K32 L55 A59	L25-V27 PolarHBondContact O-N 3.16Å; V27-E31 WeakPolarHBondContact CA-OE2 3.48Å; V27-E31 HydrophobicContact CG1-CB 3.62Å; V27-K32 HydrophobicContact CG1-CG 3.96Å; V27-K32 WeakPolarHBondContact O-CE 3.33Å; V27-L55 HydrophobicContact CG1-CD1 3.95Å; V27-L55 HydrophobicContact CG1-CD2 4.24Å; V27-L55 HydrophobicContact CG1-CG 4.05Å; V27-L55 HydrophobicContact CG2-CG 4.42Å; V27-A59 HydrophobicContact CG1-CB 3.95Å; V27-A59 HydrophobicContact CG2-CB 3.85Å
28	N	95.6	Very high	81	Confident	75 Å²	75	80.4 Å²	80.4	40%	0.401	50%	0.503	S	S	.	.			trans	-83.1	168.4	-177.5	71.7	54	0	0	0	113	L30 E31 K32	N28-L30 VanDerWaalsContact C-N 3.3Å; N28-L30 PolarHBondContact O-N 3.33Å; N28-L30 WeakPolarHBondContact OD1-CA 3.46Å; N28-L30 WeakPolarHBondContact OD1-CB 3.47Å; N28-L30 PolarHBondContact OD1-N 2.83Å; N28-E31 PolarHBondContact N-OE2 3.42Å; N28-E31 PolarHBondContact ND2-OE1 3.06Å; N28-E31 PolarHBondContact ND2-OE2 3.01Å; N28-E31 PolarHBondContact O-N 3.47Å; N28-E31 WeakPolarHBondContact OD1-CG 3.35Å; N28-E31 PolarHBondContact OD1-N 3.33Å; N28-K32 WeakPolarHBondContact O-CG 3.47Å; N28-K32 PolarHBondContact O-N 2.86Å; N28-K32 VanDerWaalsContact O-N 3.11Å
29	S	96	Very high	83.9	Confident	102 Å²	102	75.8 Å²	75.8	71%	0.713	47%	0.471	S	S	*	.	H	α-helix	trans	-63	-33	-176.4	-55.8	0	0	0	0	113.8	K32 F33	S29-K32 PolarHBondContact O-N 3.31Å; S29-F33 WeakPolarHBondContact O-CB 3.5Å; S29-F33 PolarHBondContact O-N 2.94Å
30	L	95.3	Very high	86.6	Confident	109 Å²	109	76.8 Å²	76.8	57%	0.571	47%	0.467	S	S	*	.	H	α-helix	trans	-69	-44.2	178.6	-179.1	62.6	0	0	0	110.8	N28 K32 F33 H34	N28-L30 VanDerWaalsContact C-N 3.3Å; N28-L30 PolarHBondContact O-N 3.33Å; N28-L30 WeakPolarHBondContact OD1-CA 3.46Å; N28-L30 WeakPolarHBondContact OD1-CB 3.47Å; N28-L30 PolarHBondContact OD1-N 2.83Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 2.93Å; L30-F33 PolarHBondContact O-N 3.44Å; L30-H34 WeakPolarHBondContact CD1-NE2 3.48Å; L30-H34 PolarHBondContact O-CD2 3.46Å; L30-H34 PolarHBondContact O-N 3.11Å
31	E	97.6	Very high	89.5	Confident	13 Å²	13	77.4 Å²	77.4	6%	0.061	46%	0.457	C	S	.	.	H	α-helix	trans	-59.6	-43.7	174.9	-68.8	167.4	158	0	0	111.3	V27 N28 H34 F35 A59 L62 R63	V27-E31 WeakPolarHBondContact CA-OE2 3.48Å; V27-E31 HydrophobicContact CG1-CB 3.62Å; N28-E31 PolarHBondContact N-OE2 3.42Å; N28-E31 PolarHBondContact ND2-OE1 3.06Å; N28-E31 PolarHBondContact ND2-OE2 3.01Å; N28-E31 PolarHBondContact O-N 3.47Å; N28-E31 WeakPolarHBondContact OD1-CG 3.35Å; N28-E31 PolarHBondContact OD1-N 3.33Å; E31-H34 PolarHBondContact O-N 3.5Å; E31-F35 WeakPolarHBondContact O-CB 3.38Å; E31-F35 PolarHBondContact O-N 3.24Å; E31-A59 HydrophobicContact CB-CB 4.44Å; E31-L62 HydrophobicContact CG-CD2 4.21Å; E31-R63 IonicContact OE1-CZ 3.96Å; E31-R63 IonicContact OE1-NE 3.86Å; E31-R63 PolarHBondContact OE1-NE 3.49Å; E31-R63 IonicContact OE1-NH2 2.76Å; E31-R63 PolarHBondContact OE1-NH2 3.5Å; E31-R63 VanDerWaalsContact OE1-NH2 3.16Å; E31-R63 IonicContact OE2-CZ 3.25Å; E31-R63 IonicContact OE2-NE 3.03Å; E31-R63 IonicContact OE2-NH2 2.65Å; E31-R63 PolarHBondContact OE2-NH2 3.26Å
32	K	97.2	Very high	91.8	Very high	95 Å²	95	76.9 Å²	76.9	41%	0.413	44%	0.438	S	S	.	.	H	α-helix	trans	-60.5	-46	175	-69.9	177.5	-175.5	-179.5	0	112.2	V27 N28 S29 L30 F35 Q36 L55	V27-K32 HydrophobicContact CG1-CG 3.96Å; V27-K32 WeakPolarHBondContact O-CE 3.33Å; N28-K32 WeakPolarHBondContact O-CG 3.47Å; N28-K32 PolarHBondContact O-N 2.86Å; N28-K32 VanDerWaalsContact O-N 3.11Å; S29-K32 PolarHBondContact O-N 3.31Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 2.93Å; K32-F35 PolarHBondContact O-N 2.87Å; K32-Q36 WeakPolarHBondContact O-CG 3.47Å; K32-Q36 PolarHBondContact O-N 2.92Å; K32-L55 HydrophobicContact CG-CD1 4.26Å; K32-L55 HydrophobicContact CG-CD2 3.93Å
33	F	97.2	Very high	93.8	Very high	122 Å²	122	80.5 Å²	80.5	54%	0.535	44%	0.438	S	S	.	.	H	α-helix	trans	-63.6	-43.5	179.2	179.9	-95.5	0	0	0	112.2	S29 L30 Q36 S37	S29-F33 WeakPolarHBondContact O-CB 3.5Å; S29-F33 PolarHBondContact O-N 2.94Å; L30-F33 PolarHBondContact O-N 3.44Å; F33-Q36 PolarHBondContact O-N 3.33Å; F33-S37 PolarHBondContact O-N 2.74Å; F33-S37 PolarHBondContact O-OG 3.21Å; F33-S37 VanDerWaalsContact O-OG 3.07Å
34	H	97.2	Very high	95.3	Very high	78 Å²	78	79.3 Å²	79.3	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.6	-80.7	-66.3	0	0	0	112.1	L30 E31 Q36 S37 W38 F58	L30-H34 WeakPolarHBondContact CD1-NE2 3.48Å; L30-H34 PolarHBondContact O-CD2 3.46Å; L30-H34 PolarHBondContact O-N 3.11Å; E31-H34 PolarHBondContact O-N 3.5Å; H34-Q36 PolarHBondContact O-N 3.23Å; H34-S37 PolarHBondContact O-N 3.16Å; H34-W38 VanDerWaalsContact O-CB 3.26Å; H34-W38 WeakPolarHBondContact O-CB 3.46Å; H34-W38 PolarHBondContact O-N 2.84Å; H34-F58 HydrophobicContact CB-CE1 4.1Å; H34-F58 HydrophobicContact CB-CZ 4.27Å
35	F	98.4	Very high	96.2	Very high	0 Å²	0	81.4 Å²	81.4	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-43.3	177.7	-176.5	-123	0	0	0	111.9	E31 K32 S37 W38 M39 Y46 Y51 R54 L55 F58 D84	E31-F35 WeakPolarHBondContact O-CB 3.38Å; E31-F35 PolarHBondContact O-N 3.24Å; K32-F35 PolarHBondContact O-N 2.87Å; F35-S37 PolarHBondContact O-N 2.79Å; F35-W38 HydrophobicContact CD2-CE3 4.06Å; F35-W38 AromaticContact CE2-CE3 3.86Å; F35-W38 HydrophobicContact CE2-CE3 3.86Å; F35-W38 HydrophobicContact CE2-CZ3 4.01Å; F35-W38 WeakPolarHBondContact O-CB 3.26Å; F35-W38 PolarHBondContact O-N 2.87Å; F35-M39 HydrophobicContact CD1-CG 4.46Å; F35-M39 HydrophobicContact CD1-SD 3.9Å; F35-M39 HydrophobicContact CD2-CG 4.36Å; F35-M39 HydrophobicContact CE1-CG 4.14Å; F35-M39 HydrophobicContact CE1-SD 3.45Å; F35-M39 WeakPolarHBondContact CE1-SD 3.27Å; F35-M39 HydrophobicContact CE2-CG 4.01Å; F35-M39 HydrophobicContact CE2-SD 4.38Å; F35-M39 HydrophobicContact CZ-CG 3.89Å; F35-M39 HydrophobicContact CZ-SD 3.71Å; F35-M39 WeakPolarHBondContact O-CG 3.43Å; F35-M39 PolarHBondContact O-N 3.49Å; F35-Y46 HydrophobicContact CZ-CD2 4.25Å; F35-Y46 HydrophobicContact CZ-CE2 4.03Å; F35-Y51 AromaticContact CD1-CE2 3.9Å; F35-Y51 HydrophobicContact CD1-CE2 3.9Å; F35-Y51 AromaticContact CD1-CZ 3.88Å; F35-Y51 AromaticContact CE1-CD2 3.91Å; F35-Y51 HydrophobicContact CE1-CD2 3.91Å; F35-Y51 AromaticContact CE1-CE2 3.63Å; F35-Y51 HydrophobicContact CE1-CE2 3.63Å; F35-Y51 HydrophobicContact CE1-CG 4.48Å; F35-Y51 AromaticContact CE1-CZ 3.95Å; F35-R54 HydrophobicContact CE1-CB 4.38Å; F35-R54 HydrophobicContact CE2-CB 4.35Å; F35-R54 HydrophobicContact CZ-CB 3.59Å; F35-L55 HydrophobicContact CB-CD1 3.65Å; F35-L55 HydrophobicContact CD1-CB 3.86Å; F35-L55 HydrophobicContact CD1-CD1 3.56Å; F35-L55 HydrophobicContact CD1-CG 4.27Å; F35-L55 HydrophobicContact CE1-CB 3.86Å; F35-L55 HydrophobicContact CE1-CD1 4.42Å; F35-L55 HydrophobicContact CG-CD1 3.75Å; F35-F58 HydrophobicContact CB-CD1 3.68Å; F35-F58 HydrophobicContact CB-CE1 3.83Å; F35-F58 HydrophobicContact CB-CG 4.2Å; F35-F58 HydrophobicContact CB-CZ 4.44Å; F35-F58 HydrophobicContact CD2-CB 3.57Å; F35-F58 AromaticContact CD2-CD1 3.8Å; F35-F58 HydrophobicContact CD2-CD1 3.8Å; F35-F58 AromaticContact CD2-CD2 3.63Å; F35-F58 HydrophobicContact CD2-CD2 3.63Å; F35-F58 HydrophobicContact CD2-CE1 4.37Å; F35-F58 HydrophobicContact CD2-CE2 4.21Å; F35-F58 AromaticContact CD2-CG 3.38Å; F35-F58 HydrophobicContact CD2-CG 3.38Å; F35-F58 HydrophobicContact CE2-CB 3.9Å; F35-F58 HydrophobicContact CE2-CD2 4.25Å; F35-F58 HydrophobicContact CE2-CG 4.12Å; F35-F58 HydrophobicContact CG-CB 4.33Å; F35-F58 HydrophobicContact CG-CD1 4.1Å; F35-F58 HydrophobicContact CG-CG 4.12Å; F35-D84 HydrophobicContact CE2-CB 3.92Å
36	Q	97.4	Very high	96.6	Very high	106 Å²	106	80.8 Å²	80.8	50%	0.495	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-44.7	175.8	-72.2	174.5	-18.7	0	0	112.1	K32 F33 H34 W38 M39 V40	K32-Q36 WeakPolarHBondContact O-CG 3.47Å; K32-Q36 PolarHBondContact O-N 2.92Å; F33-Q36 PolarHBondContact O-N 3.33Å; H34-Q36 PolarHBondContact O-N 3.23Å; Q36-W38 VanDerWaalsContact C-N 3.34Å; Q36-W38 PolarHBondContact O-N 3.48Å; Q36-M39 PolarHBondContact O-N 2.84Å; Q36-V40 WeakPolarHBondContact O-CG2 3.47Å; Q36-V40 PolarHBondContact O-N 3.22Å; Q36-V40 VanDerWaalsContact O-N 3.16Å
37	S	97.7	Very high	96.8	Very high	54 Å²	54	79.8 Å²	79.8	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-42.7	176.1	-59.8	0	0	0	0	111.6	F33 H34 F35 V40 Q41	F33-S37 PolarHBondContact O-N 2.74Å; F33-S37 PolarHBondContact O-OG 3.21Å; F33-S37 VanDerWaalsContact O-OG 3.07Å; H34-S37 PolarHBondContact O-N 3.16Å; F35-S37 PolarHBondContact O-N 2.79Å; S37-V40 PolarHBondContact O-N 2.82Å; S37-Q41 PolarHBondContact O-N 3.4Å
38	W	98.3	Very high	96.6	Very high	6 Å²	6	83.6 Å²	83.6	2%	0.023	43%	0.431	C	S	.	.	H	α-helix	trans	-63	-41.9	176.8	178.4	93.8	0	0	0	111.8	H34 F35 Q36 V40 Q41 H42 K44 F58 N80 D84	H34-W38 VanDerWaalsContact O-CB 3.26Å; H34-W38 WeakPolarHBondContact O-CB 3.46Å; H34-W38 PolarHBondContact O-N 2.84Å; F35-W38 HydrophobicContact CD2-CE3 4.06Å; F35-W38 AromaticContact CE2-CE3 3.86Å; F35-W38 HydrophobicContact CE2-CE3 3.86Å; F35-W38 HydrophobicContact CE2-CZ3 4.01Å; F35-W38 WeakPolarHBondContact O-CB 3.26Å; F35-W38 PolarHBondContact O-N 2.87Å; Q36-W38 VanDerWaalsContact C-N 3.34Å; Q36-W38 PolarHBondContact O-N 3.48Å; W38-V40 VanDerWaalsContact C-N 3.32Å; W38-V40 PolarHBondContact O-N 3.32Å; W38-Q41 PolarHBondContact O-N 2.89Å; W38-H42 AromaticContact CD1-CD2 3.4Å; W38-H42 AromaticContact CD1-NE2 3.64Å; W38-H42 AromaticContact CD2-CD2 3.78Å; W38-H42 AromaticContact CE2-CD2 3.34Å; W38-H42 AromaticContact CE2-CG 3.91Å; W38-H42 AromaticContact CE2-NE2 3.91Å; W38-H42 AromaticContact CG-CD2 3.79Å; W38-H42 HydrophobicContact CH2-CB 4.4Å; W38-H42 HydrophobicContact CZ2-CB 4.25Å; W38-H42 AromaticContact CZ2-CD2 3.9Å; W38-H42 AromaticContact NE1-CD2 3.14Å; W38-H42 PolarHBondContact NE1-CD2 3.26Å; W38-H42 AromaticContact NE1-NE2 3.28Å; W38-H42 PolarHBondContact NE1-NE2 3.28Å; W38-H42 WeakPolarHBondContact O-CB 3.23Å; W38-H42 PolarHBondContact O-CD2 3.33Å; W38-H42 PolarHBondContact O-N 3.33Å; W38-K44 HydrophobicContact CH2-CD 4.44Å; W38-K44 HydrophobicContact CH2-CG 3.84Å; W38-K44 HydrophobicContact CZ3-CB 4.33Å; W38-K44 HydrophobicContact CZ3-CG 3.63Å; W38-F58 HydrophobicContact CB-CE2 3.88Å; W38-F58 HydrophobicContact CB-CZ 4.12Å; W38-F58 AromaticContact CD1-CE2 3.83Å; W38-F58 HydrophobicContact CD2-CD2 4.31Å; W38-F58 AromaticContact CD2-CE2 3.99Å; W38-F58 HydrophobicContact CD2-CE2 3.99Å; W38-F58 HydrophobicContact CG-CD2 4.39Å; W38-F58 AromaticContact CG-CE2 3.61Å; W38-F58 HydrophobicContact CG-CE2 3.61Å; W38-F58 HydrophobicContact CG-CZ 4.31Å; W38-N80 PolarHBondContact NE1-O 2.93Å; W38-D84 HydrophobicContact CH2-CB 3.79Å; W38-D84 VanDerWaalsContact CH2-OD1 3.23Å; W38-D84 WeakPolarHBondContact CH2-OD1 3.38Å; W38-D84 VanDerWaalsContact CH2-OD2 3.23Å; W38-D84 WeakPolarHBondContact CH2-OD2 3.46Å; W38-D84 HydrophobicContact CZ3-CB 3.83Å; W38-D84 VanDerWaalsContact CZ3-CG 3.47Å; W38-D84 WeakPolarHBondContact CZ3-OD2 3.42Å
39	M	98.3	Very high	96.4	Very high	25 Å²	25	88.2 Å²	88.2	12%	0.123	45%	0.45	C	S	.	.	H	α-helix	trans	-59.9	-42.2	175.9	-75	178.1	62.6	0	0	111.8	F35 Q36 H42 Q43 K44 Y46 Y51	F35-M39 HydrophobicContact CD1-CG 4.46Å; F35-M39 HydrophobicContact CD1-SD 3.9Å; F35-M39 HydrophobicContact CD2-CG 4.36Å; F35-M39 HydrophobicContact CE1-CG 4.14Å; F35-M39 HydrophobicContact CE1-SD 3.45Å; F35-M39 WeakPolarHBondContact CE1-SD 3.27Å; F35-M39 HydrophobicContact CE2-CG 4.01Å; F35-M39 HydrophobicContact CE2-SD 4.38Å; F35-M39 HydrophobicContact CZ-CG 3.89Å; F35-M39 HydrophobicContact CZ-SD 3.71Å; F35-M39 WeakPolarHBondContact O-CG 3.43Å; F35-M39 PolarHBondContact O-N 3.49Å; Q36-M39 PolarHBondContact O-N 2.84Å; M39-H42 CarbonylContact O-C 3.6Å; M39-H42 PolarHBondContact O-N 3.27Å; M39-Q43 CarbonylContact O-C 3.57Å; M39-Q43 WeakPolarHBondContact O-CA 3.23Å; M39-Q43 PolarHBondContact O-N 2.84Å; M39-K44 HydrophobicContact CB-CB 4.2Å; M39-K44 HydrophobicContact CG-CB 4.16Å; M39-K44 PolarHBondContact O-N 3.19Å; M39-Y46 HydrophobicContact CE-CD2 3.7Å; M39-Y46 HydrophobicContact CE-CE2 4.26Å; M39-Y46 HydrophobicContact CG-CE2 4.39Å; M39-Y46 HydrophobicContact SD-CD2 4.14Å; M39-Y46 HydrophobicContact SD-CE2 4.44Å; M39-Y51 HydrophobicContact CE-CD2 4.07Å; M39-Y51 HydrophobicContact CE-CE2 4.19Å; M39-Y51 HydrophobicContact SD-CD2 3.79Å; M39-Y51 HydrophobicContact SD-CE2 3.48Å; M39-Y51 WeakPolarHBondContact SD-CE2 3.14Å
40	V	97.1	Very high	96.3	Very high	118 Å²	118	86.9 Å²	86.9	72%	0.715	43%	0.432	S	S	*	.	H	α-helix	trans	-64.2	-47.6	176.2	175.2	0	0	0	0	110.6	Q36 S37 W38 H42 Q43	Q36-V40 WeakPolarHBondContact O-CG2 3.47Å; Q36-V40 PolarHBondContact O-N 3.22Å; Q36-V40 VanDerWaalsContact O-N 3.16Å; S37-V40 PolarHBondContact O-N 2.82Å; W38-V40 VanDerWaalsContact C-N 3.32Å; W38-V40 PolarHBondContact O-N 3.32Å; V40-H42 VanDerWaalsContact C-N 3.29Å; V40-H42 PolarHBondContact O-N 3.14Å; V40-Q43 PolarHBondContact O-N 2.9Å
41	Q	95.9	Very high	96.4	Very high	147 Å²	147	84 Å²	84	69%	0.687	41%	0.414	S	S	*	.	H	α-helix	trans	-58.8	-39.5	179.1	-178.2	-179.3	-1.9	0	0	112.6	S37 W38	S37-Q41 PolarHBondContact O-N 3.4Å; W38-Q41 PolarHBondContact O-N 2.89Å
42	H	95.9	Very high	96.3	Very high	50 Å²	50	88.9 Å²	88.9	23%	0.231	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	10.4	-178.1	-70	-81.3	0	0	0	113.8	W38 M39 V40 K44	W38-H42 AromaticContact CD1-CD2 3.4Å; W38-H42 AromaticContact CD1-NE2 3.64Å; W38-H42 AromaticContact CD2-CD2 3.78Å; W38-H42 AromaticContact CE2-CD2 3.34Å; W38-H42 AromaticContact CE2-CG 3.91Å; W38-H42 AromaticContact CE2-NE2 3.91Å; W38-H42 AromaticContact CG-CD2 3.79Å; W38-H42 HydrophobicContact CH2-CB 4.4Å; W38-H42 HydrophobicContact CZ2-CB 4.25Å; W38-H42 AromaticContact CZ2-CD2 3.9Å; W38-H42 AromaticContact NE1-CD2 3.14Å; W38-H42 PolarHBondContact NE1-CD2 3.26Å; W38-H42 AromaticContact NE1-NE2 3.28Å; W38-H42 PolarHBondContact NE1-NE2 3.28Å; W38-H42 WeakPolarHBondContact O-CB 3.23Å; W38-H42 PolarHBondContact O-CD2 3.33Å; W38-H42 PolarHBondContact O-N 3.33Å; M39-H42 CarbonylContact O-C 3.6Å; M39-H42 PolarHBondContact O-N 3.27Å; V40-H42 VanDerWaalsContact C-N 3.29Å; V40-H42 PolarHBondContact O-N 3.14Å; H42-K44 HydrophobicContact CB-CG 3.96Å; H42-K44 PolarHBondContact O-N 3.07Å
43	Q	96.8	Very high	96.2	Very high	178 Å²	178	89.4 Å²	89.4	83%	0.832	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	37.6	178.7	-57.4	-180	-8.8	0	0	113.8	M39 V40	M39-Q43 CarbonylContact O-C 3.57Å; M39-Q43 WeakPolarHBondContact O-CA 3.23Å; M39-Q43 PolarHBondContact O-N 2.84Å; V40-Q43 PolarHBondContact O-N 2.9Å
44	K	96.4	Very high	96.3	Very high	68 Å²	68	84.6 Å²	84.6	30%	0.296	42%	0.419	S	S	.	.			trans	-86.5	140.6	-179.2	-60.1	-62	-166	145.6	0	111.6	W38 M39 H42 Y46	W38-K44 HydrophobicContact CH2-CD 4.44Å; W38-K44 HydrophobicContact CH2-CG 3.84Å; W38-K44 HydrophobicContact CZ3-CB 4.33Å; W38-K44 HydrophobicContact CZ3-CG 3.63Å; M39-K44 HydrophobicContact CB-CB 4.2Å; M39-K44 HydrophobicContact CG-CB 4.16Å; M39-K44 PolarHBondContact O-N 3.19Å; H42-K44 HydrophobicContact CB-CG 3.96Å; H42-K44 PolarHBondContact O-N 3.07Å; K44-Y46 HydrophobicContact CB-CE2 3.87Å; K44-Y46 WeakPolarHBondContact CD-OH 3.45Å
45	K	95.9	Very high	96.3	Very high	194 Å²	194	81.3 Å²	81.3	84%	0.843	40%	0.404	S	S	*	.			trans	-136.2	132.1	174	-64.9	-178.6	-179.4	178.5	0	108.4
46	Y	96.6	Very high	96.3	Very high	45 Å²	45	83.1 Å²	83.1	18%	0.176	41%	0.413	C	S	.	.			trans	-130.4	150.2	-176.7	-62	-50.8	0	0	0	110.7	F35 M39 K44 E50 R54 D84	F35-Y46 HydrophobicContact CZ-CD2 4.25Å; F35-Y46 HydrophobicContact CZ-CE2 4.03Å; M39-Y46 HydrophobicContact CE-CD2 3.7Å; M39-Y46 HydrophobicContact CE-CE2 4.26Å; M39-Y46 HydrophobicContact CG-CE2 4.39Å; M39-Y46 HydrophobicContact SD-CD2 4.14Å; M39-Y46 HydrophobicContact SD-CE2 4.44Å; K44-Y46 HydrophobicContact CB-CE2 3.87Å; K44-Y46 WeakPolarHBondContact CD-OH 3.45Å; Y46-E50 VanDerWaalsContact CD1-CD 3.47Å; Y46-E50 HydrophobicContact CD1-CG 3.77Å; Y46-E50 HydrophobicContact CE1-CG 4.46Å; Y46-E50 HydrophobicContact CG-CG 4.19Å; Y46-R54 HydrophobicContact CD1-CG 4.17Å; Y46-R54 HydrophobicContact CD2-CB 4.09Å; Y46-R54 HydrophobicContact CD2-CG 3.93Å; Y46-R54 HydrophobicContact CE1-CG 4.06Å; Y46-R54 HydrophobicContact CE2-CB 3.95Å; Y46-R54 HydrophobicContact CE2-CG 3.77Å; Y46-R54 HydrophobicContact CG-CG 4.15Å; Y46-D84 VanDerWaalsContact CZ-OD2 3.25Å; Y46-D84 PolarHBondContact OH-OD2 3.32Å
47	S	96.5	Very high	96.3	Very high	70 Å²	70	79 Å²	79	49%	0.49	39%	0.394	S	S	.	.			trans	-65.5	162.4	163.3	69.8	0	0	0	0	109.6	E49 E50 Y51	S47-E49 PolarHBondContact O-N 3.39Å; S47-E50 PolarHBondContact O-N 2.87Å; S47-E50 PolarHBondContact OG-N 2.98Å; S47-Y51 VanDerWaalsContact O-CB 3.27Å; S47-Y51 WeakPolarHBondContact O-CB 3.22Å; S47-Y51 PolarHBondContact O-N 3.42Å
48	S	91.7	Very high	96.3	Very high	101 Å²	101	76.4 Å²	76.4	71%	0.706	38%	0.376	S	S	*	.	H	α-helix	trans	-57.8	-35.4	179.4	-55.9	0	0	0	0	112.9	H52	S48-H52 PolarHBondContact O-ND1 3.42Å
49	E	89.9	Confident	96.3	Very high	171 Å²	171	76.1 Å²	76.1	80%	0.799	38%	0.375	S	S	*	.	H	α-helix	trans	-70.6	-50	177.5	-172.2	179.9	179.9	0	0	111.3	S47 Y51 H52	S47-E49 PolarHBondContact O-N 3.39Å; E49-Y51 VanDerWaalsContact C-N 3.3Å; E49-Y51 PolarHBondContact O-N 2.85Å; E49-H52 PolarHBondContact O-N 3.4Å
50	E	95.5	Very high	96.3	Very high	74 Å²	74	76.9 Å²	76.9	35%	0.346	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-35.4	178.7	-177.3	171.8	-169	0	0	111.5	Y46 S47 H52 H53 R54	Y46-E50 VanDerWaalsContact CD1-CD 3.47Å; Y46-E50 HydrophobicContact CD1-CG 3.77Å; Y46-E50 HydrophobicContact CE1-CG 4.46Å; Y46-E50 HydrophobicContact CG-CG 4.19Å; S47-E50 PolarHBondContact O-N 2.87Å; S47-E50 PolarHBondContact OG-N 2.98Å; E50-H52 VanDerWaalsContact C-N 3.31Å; E50-H52 PolarHBondContact O-N 2.98Å; E50-H53 PolarHBondContact O-N 3.39Å; E50-R54 HydrophobicContact CG-CG 3.72Å; E50-R54 WeakPolarHBondContact O-CB 3.33Å; E50-R54 WeakPolarHBondContact O-CG 3.49Å; E50-R54 PolarHBondContact O-N 3.48Å; E50-R54 IonicContact OE1-CZ 3.53Å; E50-R54 IonicContact OE1-NE 2.7Å; E50-R54 PolarHBondContact OE1-NE 2.83Å; E50-R54 IonicContact OE1-NH2 3.53Å; E50-R54 PolarHBondContact OE1-NH2 2.88Å
51	Y	96.8	Very high	96.4	Very high	48 Å²	48	72 Å²	72	19%	0.188	35%	0.353	C	S	.	.	H	α-helix	trans	-56	-44.7	178	179.1	-84.2	0	0	0	111.9	F35 M39 S47 E49 R54 L55	F35-Y51 AromaticContact CD1-CE2 3.9Å; F35-Y51 HydrophobicContact CD1-CE2 3.9Å; F35-Y51 AromaticContact CD1-CZ 3.88Å; F35-Y51 AromaticContact CE1-CD2 3.91Å; F35-Y51 HydrophobicContact CE1-CD2 3.91Å; F35-Y51 AromaticContact CE1-CE2 3.63Å; F35-Y51 HydrophobicContact CE1-CE2 3.63Å; F35-Y51 HydrophobicContact CE1-CG 4.48Å; F35-Y51 AromaticContact CE1-CZ 3.95Å; M39-Y51 HydrophobicContact CE-CD2 4.07Å; M39-Y51 HydrophobicContact CE-CE2 4.19Å; M39-Y51 HydrophobicContact SD-CD2 3.79Å; M39-Y51 HydrophobicContact SD-CE2 3.48Å; M39-Y51 WeakPolarHBondContact SD-CE2 3.14Å; S47-Y51 VanDerWaalsContact O-CB 3.27Å; S47-Y51 WeakPolarHBondContact O-CB 3.22Å; S47-Y51 PolarHBondContact O-N 3.42Å; E49-Y51 VanDerWaalsContact C-N 3.3Å; E49-Y51 PolarHBondContact O-N 2.85Å; Y51-R54 PolarHBondContact O-N 3.41Å; Y51-L55 HydrophobicContact CE1-CB 4.4Å; Y51-L55 HydrophobicContact CE1-CD2 4.03Å; Y51-L55 VanDerWaalsContact O-CB 3.25Å; Y51-L55 WeakPolarHBondContact O-CB 3.25Å; Y51-L55 PolarHBondContact O-N 3.36Å
52	H	94.9	Very high	96.5	Very high	116 Å²	116	65.9 Å²	65.9	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-46.2	179.3	-79.1	83.3	0	0	0	110.9	S48 E49 E50 L55 Q56	S48-H52 PolarHBondContact O-ND1 3.42Å; E49-H52 PolarHBondContact O-N 3.4Å; E50-H52 VanDerWaalsContact C-N 3.31Å; E50-H52 PolarHBondContact O-N 2.98Å; H52-L55 PolarHBondContact O-N 3.05Å; H52-Q56 VanDerWaalsContact O-CG 3.31Å; H52-Q56 WeakPolarHBondContact O-CG 3.29Å; H52-Q56 PolarHBondContact O-N 2.89Å
53	H	96.3	Very high	96.6	Very high	106 Å²	106	67.7 Å²	67.7	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-47.4	176.6	-179.8	69.4	0	0	0	112.4	E50 L55 Q56 V57	E50-H53 PolarHBondContact O-N 3.39Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-L55 PolarHBondContact O-N 3.46Å; H53-Q56 WeakPolarHBondContact O-CB 3.31Å; H53-Q56 PolarHBondContact O-N 2.95Å; H53-V57 WeakPolarHBondContact O-CG2 3.43Å; H53-V57 PolarHBondContact O-N 3.4Å; H53-V57 VanDerWaalsContact O-N 3.08Å
54	R	98.1	Very high	96.7	Very high	21 Å²	21	63.8 Å²	63.8	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-39.4	179.7	-65.9	-72.5	178.1	-162.8	-2.1	112.2	F35 Y46 E50 Y51 V57 F58 D84 E89	F35-R54 HydrophobicContact CE1-CB 4.38Å; F35-R54 HydrophobicContact CE2-CB 4.35Å; F35-R54 HydrophobicContact CZ-CB 3.59Å; Y46-R54 HydrophobicContact CD1-CG 4.17Å; Y46-R54 HydrophobicContact CD2-CB 4.09Å; Y46-R54 HydrophobicContact CD2-CG 3.93Å; Y46-R54 HydrophobicContact CE1-CG 4.06Å; Y46-R54 HydrophobicContact CE2-CB 3.95Å; Y46-R54 HydrophobicContact CE2-CG 3.77Å; Y46-R54 HydrophobicContact CG-CG 4.15Å; E50-R54 HydrophobicContact CG-CG 3.72Å; E50-R54 WeakPolarHBondContact O-CB 3.33Å; E50-R54 WeakPolarHBondContact O-CG 3.49Å; E50-R54 PolarHBondContact O-N 3.48Å; E50-R54 IonicContact OE1-CZ 3.53Å; E50-R54 IonicContact OE1-NE 2.7Å; E50-R54 PolarHBondContact OE1-NE 2.83Å; E50-R54 IonicContact OE1-NH2 3.53Å; E50-R54 PolarHBondContact OE1-NH2 2.88Å; Y51-R54 PolarHBondContact O-N 3.41Å; R54-V57 PolarHBondContact O-N 3.32Å; R54-F58 VanDerWaalsContact O-CB 3.31Å; R54-F58 WeakPolarHBondContact O-CB 3.48Å; R54-F58 PolarHBondContact O-N 3.46Å; R54-D84 HydrophobicContact CB-CB 4.41Å; R54-D84 WeakPolarHBondContact CD-O 3.28Å; R54-D84 PolarHBondContact NH1-O 3.4Å; R54-E89 IonicContact CZ-OE1 2.66Å; R54-E89 IonicContact CZ-OE2 3.54Å; R54-E89 IonicContact NH1-OE1 3.33Å; R54-E89 IonicContact NH1-OE2 2.98Å; R54-E89 PolarHBondContact NH1-OE2 3.41Å; R54-E89 IonicContact NH2-OE1 3.05Å; R54-E89 PolarHBondContact NH2-OE1 3.12Å; R54-E89 VanDerWaalsContact NH2-OE1 3.08Å; R54-E89 IonicContact NH2-OE2 2.66Å
55	L	97.9	Very high	96.8	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-42	175	175.6	63.4	0	0	0	111.8	V27 K32 F35 Y51 H52 H53 F58 A59	V27-L55 HydrophobicContact CG1-CD1 3.95Å; V27-L55 HydrophobicContact CG1-CD2 4.24Å; V27-L55 HydrophobicContact CG1-CG 4.05Å; V27-L55 HydrophobicContact CG2-CG 4.42Å; K32-L55 HydrophobicContact CG-CD1 4.26Å; K32-L55 HydrophobicContact CG-CD2 3.93Å; F35-L55 HydrophobicContact CB-CD1 3.65Å; F35-L55 HydrophobicContact CD1-CB 3.86Å; F35-L55 HydrophobicContact CD1-CD1 3.56Å; F35-L55 HydrophobicContact CD1-CG 4.27Å; F35-L55 HydrophobicContact CE1-CB 3.86Å; F35-L55 HydrophobicContact CE1-CD1 4.42Å; F35-L55 HydrophobicContact CG-CD1 3.75Å; Y51-L55 HydrophobicContact CE1-CB 4.4Å; Y51-L55 HydrophobicContact CE1-CD2 4.03Å; Y51-L55 VanDerWaalsContact O-CB 3.25Å; Y51-L55 WeakPolarHBondContact O-CB 3.25Å; Y51-L55 PolarHBondContact O-N 3.36Å; H52-L55 PolarHBondContact O-N 3.05Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-L55 PolarHBondContact O-N 3.46Å; L55-F58 PolarHBondContact O-N 3.32Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 2.89Å
56	Q	97.6	Very high	96.9	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-47.6	176.8	-72.1	-68.4	-21.8	0	0	111.2	E24 L25 H52 H53 A59 S60	E24-Q56 HydrophobicContact CG-CG 4.4Å; L25-Q56 VanDerWaalsContact CB-OE1 3.23Å; L25-Q56 VanDerWaalsContact N-OE1 3.1Å; L25-Q56 PolarHBondContact O-NE2 2.98Å; L25-Q56 PolarHBondContact O-OE1 3.24Å; H52-Q56 VanDerWaalsContact O-CG 3.31Å; H52-Q56 WeakPolarHBondContact O-CG 3.29Å; H52-Q56 PolarHBondContact O-N 2.89Å; H53-Q56 WeakPolarHBondContact O-CB 3.31Å; H53-Q56 PolarHBondContact O-N 2.95Å; Q56-A59 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-N 3.35Å
57	V	98.1	Very high	97	Very high	18 Å²	18	56.4 Å²	56.4	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-45.8	177.1	175.4	0	0	0	0	111.1	H53 R54 A59 S60 N61 D84 M85	H53-V57 WeakPolarHBondContact O-CG2 3.43Å; H53-V57 PolarHBondContact O-N 3.4Å; H53-V57 VanDerWaalsContact O-N 3.08Å; R54-V57 PolarHBondContact O-N 3.32Å; V57-A59 PolarHBondContact O-N 3.2Å; V57-S60 PolarHBondContact O-N 2.89Å; V57-N61 WeakPolarHBondContact O-CB 3.48Å; V57-N61 PolarHBondContact O-N 2.86Å; V57-N61 PolarHBondContact O-ND2 2.96Å; V57-D84 VanDerWaalsContact CG1-C 3.47Å; V57-M85 WeakPolarHBondContact CG1-O 3.41Å
58	F	98.6	Very high	97	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-45.4	177.3	-179.3	-89	0	0	0	112.7	H34 F35 W38 R54 L55 N61 L62 L79 S83 D84	H34-F58 HydrophobicContact CB-CE1 4.1Å; H34-F58 HydrophobicContact CB-CZ 4.27Å; F35-F58 HydrophobicContact CB-CD1 3.68Å; F35-F58 HydrophobicContact CB-CE1 3.83Å; F35-F58 HydrophobicContact CB-CG 4.2Å; F35-F58 HydrophobicContact CB-CZ 4.44Å; F35-F58 HydrophobicContact CD2-CB 3.57Å; F35-F58 AromaticContact CD2-CD1 3.8Å; F35-F58 HydrophobicContact CD2-CD1 3.8Å; F35-F58 AromaticContact CD2-CD2 3.63Å; F35-F58 HydrophobicContact CD2-CD2 3.63Å; F35-F58 HydrophobicContact CD2-CE1 4.37Å; F35-F58 HydrophobicContact CD2-CE2 4.21Å; F35-F58 AromaticContact CD2-CG 3.38Å; F35-F58 HydrophobicContact CD2-CG 3.38Å; F35-F58 HydrophobicContact CE2-CB 3.9Å; F35-F58 HydrophobicContact CE2-CD2 4.25Å; F35-F58 HydrophobicContact CE2-CG 4.12Å; F35-F58 HydrophobicContact CG-CB 4.33Å; F35-F58 HydrophobicContact CG-CD1 4.1Å; F35-F58 HydrophobicContact CG-CG 4.12Å; W38-F58 HydrophobicContact CB-CE2 3.88Å; W38-F58 HydrophobicContact CB-CZ 4.12Å; W38-F58 AromaticContact CD1-CE2 3.83Å; W38-F58 HydrophobicContact CD2-CD2 4.31Å; W38-F58 AromaticContact CD2-CE2 3.99Å; W38-F58 HydrophobicContact CD2-CE2 3.99Å; W38-F58 HydrophobicContact CG-CD2 4.39Å; W38-F58 AromaticContact CG-CE2 3.61Å; W38-F58 HydrophobicContact CG-CE2 3.61Å; W38-F58 HydrophobicContact CG-CZ 4.31Å; R54-F58 VanDerWaalsContact O-CB 3.31Å; R54-F58 WeakPolarHBondContact O-CB 3.48Å; R54-F58 PolarHBondContact O-N 3.46Å; L55-F58 PolarHBondContact O-N 3.32Å; F58-N61 PolarHBondContact O-N 2.9Å; F58-L62 HydrophobicContact CE1-CD2 4.04Å; F58-L62 VanDerWaalsContact O-CB 3.31Å; F58-L62 WeakPolarHBondContact O-CB 3.46Å; F58-L62 PolarHBondContact O-N 2.87Å; F58-L79 HydrophobicContact CD2-CD2 4.48Å; F58-L79 HydrophobicContact CE2-CD1 4.13Å; F58-L79 HydrophobicContact CE2-CD2 3.76Å; F58-L79 HydrophobicContact CZ-CD1 3.7Å; F58-L79 HydrophobicContact CZ-CD2 3.92Å; F58-L79 HydrophobicContact CZ-CG 4.46Å; F58-S83 VanDerWaalsContact CA-O 3.29Å; F58-S83 WeakPolarHBondContact CA-O 3.37Å; F58-D84 HydrophobicContact CB-CB 4.4Å
59	A	98.4	Very high	97.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-42.9	178	0	0	0	0	0	111.5	V27 E31 L55 Q56 V57 L62 R63	V27-A59 HydrophobicContact CG1-CB 3.95Å; V27-A59 HydrophobicContact CG2-CB 3.85Å; E31-A59 HydrophobicContact CB-CB 4.44Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 2.89Å; Q56-A59 PolarHBondContact O-N 3.47Å; V57-A59 PolarHBondContact O-N 3.2Å; A59-L62 PolarHBondContact O-N 3.28Å; A59-R63 VanDerWaalsContact O-CG 3.29Å; A59-R63 WeakPolarHBondContact O-CG 3.21Å; A59-R63 PolarHBondContact O-N 3.33Å
60	S	98.3	Very high	97.8	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-51.8	174.8	-167	0	0	0	0	111.2	Q56 V57 L62 R63 E64	Q56-S60 PolarHBondContact O-N 3.35Å; V57-S60 PolarHBondContact O-N 2.89Å; S60-L62 PolarHBondContact O-N 3.23Å; S60-R63 WeakPolarHBondContact O-CB 3.24Å; S60-R63 PolarHBondContact O-N 2.77Å; S60-E64 PolarHBondContact O-N 3.05Å
61	N	98.4	Very high	97.8	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-41.7	178.9	-77.8	-23.1	0	0	0	112.5	V57 F58 R63 E64 I65 S83 M85 M261	V57-N61 WeakPolarHBondContact O-CB 3.48Å; V57-N61 PolarHBondContact O-N 2.86Å; V57-N61 PolarHBondContact O-ND2 2.96Å; F58-N61 PolarHBondContact O-N 2.9Å; N61-R63 VanDerWaalsContact C-N 3.33Å; N61-R63 PolarHBondContact O-N 3.28Å; N61-E64 PolarHBondContact O-N 3.23Å; N61-I65 WeakPolarHBondContact O-CB 3.43Å; N61-I65 WeakPolarHBondContact O-CD1 3.36Å; N61-I65 WeakPolarHBondContact O-CG1 3.34Å; N61-I65 PolarHBondContact O-N 3.29Å; N61-S83 PolarHBondContact ND2-O 2.95Å; N61-M85 PolarHBondContact ND2-O 2.98Å; N61-M261 HydrophobicContact CB-CE 3.54Å; N61-M261 VanDerWaalsContact ND2-CE 3.29Å; N61-M261 WeakPolarHBondContact ND2-CE 3.35Å
62	L	98.4	Very high	97.7	Very high	17 Å²	17	58 Å²	58	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-39.3	177.2	178.8	56.2	0	0	0	111.7	E31 F58 A59 S60 I65 N66 L79	E31-L62 HydrophobicContact CG-CD2 4.21Å; F58-L62 HydrophobicContact CE1-CD2 4.04Å; F58-L62 VanDerWaalsContact O-CB 3.31Å; F58-L62 WeakPolarHBondContact O-CB 3.46Å; F58-L62 PolarHBondContact O-N 2.87Å; A59-L62 PolarHBondContact O-N 3.28Å; S60-L62 PolarHBondContact O-N 3.23Å; L62-I65 PolarHBondContact O-N 3.06Å; L62-N66 WeakPolarHBondContact O-CB 3.5Å; L62-N66 VanDerWaalsContact O-CG 3.25Å; L62-N66 PolarHBondContact O-N 2.96Å; L62-N66 PolarHBondContact O-ND2 3.38Å; L62-L79 HydrophobicContact CB-CD2 4.45Å; L62-L79 HydrophobicContact CD1-CD1 4.22Å; L62-L79 HydrophobicContact CD1-CD2 4.17Å; L62-L79 HydrophobicContact CD1-CG 4.31Å
63	R	98.3	Very high	97.8	Very high	89 Å²	89	55.8 Å²	55.8	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-42.7	174.4	-70.7	173.1	-171.9	-172.2	4.8	111.7	A26 E31 A59 S60 N61 N66 A67	A26-R63 PolarHBondContact O-NH2 3.4Å; E31-R63 IonicContact OE1-CZ 3.96Å; E31-R63 IonicContact OE1-NE 3.86Å; E31-R63 PolarHBondContact OE1-NE 3.49Å; E31-R63 IonicContact OE1-NH2 2.76Å; E31-R63 PolarHBondContact OE1-NH2 3.5Å; E31-R63 VanDerWaalsContact OE1-NH2 3.16Å; E31-R63 IonicContact OE2-CZ 3.25Å; E31-R63 IonicContact OE2-NE 3.03Å; E31-R63 IonicContact OE2-NH2 2.65Å; E31-R63 PolarHBondContact OE2-NH2 3.26Å; A59-R63 VanDerWaalsContact O-CG 3.29Å; A59-R63 WeakPolarHBondContact O-CG 3.21Å; A59-R63 PolarHBondContact O-N 3.33Å; S60-R63 WeakPolarHBondContact O-CB 3.24Å; S60-R63 PolarHBondContact O-N 2.77Å; N61-R63 VanDerWaalsContact C-N 3.33Å; N61-R63 PolarHBondContact O-N 3.28Å; R63-N66 PolarHBondContact O-N 3.23Å; R63-A67 WeakPolarHBondContact O-CB 3.34Å; R63-A67 PolarHBondContact O-N 3.19Å
64	E	97.9	Very high	97.9	Very high	96 Å²	96	53.6 Å²	53.6	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.1	-72.9	179.6	-168.1	0	0	111.9	S60 N61 N66 A67 H68	S60-E64 PolarHBondContact O-N 3.05Å; N61-E64 PolarHBondContact O-N 3.23Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 2.46Å; E64-A67 PolarHBondContact O-N 3.43Å; E64-H68 WeakPolarHBondContact O-CB 3.31Å; E64-H68 PolarHBondContact O-N 3.21Å
65	I	98.5	Very high	97.9	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-47.5	175.2	-71.4	162.6	0	0	0	110.6	N61 L62 N69 M77 L79 M261	N61-I65 WeakPolarHBondContact O-CB 3.43Å; N61-I65 WeakPolarHBondContact O-CD1 3.36Å; N61-I65 WeakPolarHBondContact O-CG1 3.34Å; N61-I65 PolarHBondContact O-N 3.29Å; L62-I65 PolarHBondContact O-N 3.06Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.23Å; I65-N69 VanDerWaalsContact O-CB 3.23Å; I65-N69 WeakPolarHBondContact O-CB 3.37Å; I65-N69 PolarHBondContact O-N 2.86Å; I65-N69 PolarHBondContact O-ND2 2.96Å; I65-M77 HydrophobicContact CB-CB 4.35Å; I65-M77 HydrophobicContact CG1-CB 3.92Å; I65-M77 HydrophobicContact CG1-CE 3.99Å; I65-M77 HydrophobicContact CG2-CB 4.16Å; I65-L79 HydrophobicContact CD1-CD2 3.74Å; I65-L79 HydrophobicContact CD1-CG 4.35Å; I65-M261 HydrophobicContact CD1-CG 4.39Å; I65-M261 HydrophobicContact CD1-SD 4.38Å; I65-M261 HydrophobicContact CG1-CB 4.31Å; I65-M261 HydrophobicContact CG1-CG 4.44Å
66	N	98.3	Very high	98	Very high	94 Å²	94	55.5 Å²	55.5	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-43.3	179.9	-72.4	-26.2	0	0	0	111.8	L62 R63 E64 N69 A70	L62-N66 WeakPolarHBondContact O-CB 3.5Å; L62-N66 VanDerWaalsContact O-CG 3.25Å; L62-N66 PolarHBondContact O-N 2.96Å; L62-N66 PolarHBondContact O-ND2 3.38Å; R63-N66 PolarHBondContact O-N 3.23Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 2.46Å; N66-N69 PolarHBondContact O-N 3.14Å; N66-A70 WeakPolarHBondContact O-CB 3.33Å; N66-A70 PolarHBondContact O-N 2.86Å
67	A	98.3	Very high	98	Very high	51 Å²	51	54.2 Å²	54.2	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-42.1	178.1	0	0	0	0	0	112.3	R63 E64	R63-A67 WeakPolarHBondContact O-CB 3.34Å; R63-A67 PolarHBondContact O-N 3.19Å; E64-A67 PolarHBondContact O-N 3.43Å
68	H	98.2	Very high	98	Very high	27 Å²	27	54 Å²	54	13%	0.125	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-50.6	172.8	179.8	88.1	0	0	0	110.9	E64 A70 R71 H73 F75 M77	E64-H68 WeakPolarHBondContact O-CB 3.31Å; E64-H68 PolarHBondContact O-N 3.21Å; H68-A70 VanDerWaalsContact C-N 3.25Å; H68-A70 PolarHBondContact O-N 3.06Å; H68-R71 PolarHBondContact O-N 3.09Å; H68-H73 AromaticContact CE1-CD2 3.5Å; H68-H73 AromaticContact CE1-CG 3.51Å; H68-H73 AromaticContact ND1-CD2 3.59Å; H68-H73 AromaticContact ND1-NE2 3.86Å; H68-H73 AromaticContact NE2-CD2 3.87Å; H68-H73 AromaticContact NE2-CG 3.9Å; H68-H73 PolarHBondContact O-CD2 2.82Å; H68-H73 VanDerWaalsContact O-CD2 3.29Å; H68-F75 AromaticContact CE1-CE1 3.5Å; H68-F75 AromaticContact CE1-CE2 3.65Å; H68-F75 AromaticContact CE1-CZ 3.23Å; H68-F75 WeakPolarHBondContact CE1-CZ 3.36Å; H68-F75 AromaticContact NE2-CD2 3.79Å; H68-F75 AromaticContact NE2-CE1 3.89Å; H68-F75 AromaticContact NE2-CE2 3.54Å; H68-F75 AromaticContact NE2-CZ 3.59Å; H68-F75 PolarHBondContact NE2-O 2.89Å; H68-M77 HydrophobicContact CB-SD 3.47Å; H68-M77 WeakPolarHBondContact CB-SD 3.46Å
69	N	98.4	Very high	98	Very high	46 Å²	46	57 Å²	57	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-67.7	-23.5	-175.3	-73	-20.4	0	0	0	113.7	I65 N66 R71 K76 M77	I65-N69 WeakPolarHBondContact CG2-ND2 3.23Å; I65-N69 VanDerWaalsContact O-CB 3.23Å; I65-N69 WeakPolarHBondContact O-CB 3.37Å; I65-N69 PolarHBondContact O-N 2.86Å; I65-N69 PolarHBondContact O-ND2 2.96Å; N66-N69 PolarHBondContact O-N 3.14Å; N69-R71 VanDerWaalsContact C-N 3.28Å; N69-K76 HydrophobicContact CB-CD 4.18Å; N69-K76 PolarHBondContact O-NZ 3.43Å; N69-K76 WeakPolarHBondContact OD1-CA 3.45Å; N69-K76 WeakPolarHBondContact OD1-CB 3.21Å; N69-K76 VanDerWaalsContact OD1-CD 3.24Å; N69-K76 WeakPolarHBondContact OD1-CD 3.47Å; N69-M77 PolarHBondContact ND2-O 3.07Å; N69-M77 PolarHBondContact OD1-N 3.34Å
70	A	98.2	Very high	98.1	Very high	90 Å²	90	57.5 Å²	57.5	74%	0.744	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19	173.8	0	0	0	0	0	113.6	N66 H68	N66-A70 WeakPolarHBondContact O-CB 3.33Å; N66-A70 PolarHBondContact O-N 2.86Å; H68-A70 VanDerWaalsContact C-N 3.25Å; H68-A70 PolarHBondContact O-N 3.06Å
71	R	96.5	Very high	98.1	Very high	169 Å²	169	57.4 Å²	57.4	64%	0.638	30%	0.301	S	S	*	.	S	Bend	trans	-93.4	165.9	177.7	-65.3	175.3	-173.6	179.1	2.6	111.5	H68 N69 H73 K76	H68-R71 PolarHBondContact O-N 3.09Å; N69-R71 VanDerWaalsContact C-N 3.28Å; R71-H73 VanDerWaalsContact CB-NE2 3.34Å; R71-H73 WeakPolarHBondContact CB-NE2 3.19Å; R71-H73 PolarHBondContact O-N 3.06Å; R71-K76 PolarHBondContact O-NZ 3.08Å
72	N	94.9	Very high	98.1	Very high	165 Å²	165	56.7 Å²	56.7	88%	0.882	30%	0.297	S	S	*	.			trans	-85.7	93.8	176.1	-167.5	23	0	0	0	110.5
73	H	96.9	Very high	98.1	Very high	71 Å²	71	55.9 Å²	55.9	33%	0.329	29%	0.293	S	S	.	.			trans	-121.1	154.6	174.6	-64.5	-73.6	0	0	0	110.4	H68 R71 F75	H68-H73 AromaticContact CE1-CD2 3.5Å; H68-H73 AromaticContact CE1-CG 3.51Å; H68-H73 AromaticContact ND1-CD2 3.59Å; H68-H73 AromaticContact ND1-NE2 3.86Å; H68-H73 AromaticContact NE2-CD2 3.87Å; H68-H73 AromaticContact NE2-CG 3.9Å; H68-H73 PolarHBondContact O-CD2 2.82Å; H68-H73 VanDerWaalsContact O-CD2 3.29Å; R71-H73 VanDerWaalsContact CB-NE2 3.34Å; R71-H73 WeakPolarHBondContact CB-NE2 3.19Å; R71-H73 PolarHBondContact O-N 3.06Å; H73-F75 PolarHBondContact O-N 2.83Å
74	T	98.1	Very high	98.1	Very high	60 Å²	60	51.6 Å²	51.6	37%	0.368	28%	0.277	S	S	.	.	S	Bend	trans	-70.5	-15	177.2	51.7	0	0	0	0	113.4	G265 I266 I294	T74-G265 CarbonylContact O-C 3.58Å; T74-G265 WeakPolarHBondContact O-CA 3.18Å; T74-I266 CarbonylContact C-O 3.2Å; T74-I266 WeakPolarHBondContact CB-O 3.43Å; T74-I266 PolarHBondContact O-N 2.96Å; T74-I266 PolarHBondContact OG1-O 2.85Å; T74-I294 HydrophobicContact CG2-CD1 3.49Å; T74-I294 VanDerWaalsContact CG2-CD1 3.49Å
75	F	98.7	Very high	98.1	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.5	174.1	77	-79.4	0	0	0	112.2	H68 H73 M77 Y262 K264 Y267	H68-F75 AromaticContact CE1-CE1 3.5Å; H68-F75 AromaticContact CE1-CE2 3.65Å; H68-F75 AromaticContact CE1-CZ 3.23Å; H68-F75 WeakPolarHBondContact CE1-CZ 3.36Å; H68-F75 AromaticContact NE2-CD2 3.79Å; H68-F75 AromaticContact NE2-CE1 3.89Å; H68-F75 AromaticContact NE2-CE2 3.54Å; H68-F75 AromaticContact NE2-CZ 3.59Å; H68-F75 PolarHBondContact NE2-O 2.89Å; H73-F75 PolarHBondContact O-N 2.83Å; F75-M77 HydrophobicContact CD2-CG 4.41Å; F75-M77 HydrophobicContact CE2-CG 3.79Å; F75-Y262 HydrophobicContact CB-CD2 4.27Å; F75-Y262 HydrophobicContact CB-CE2 4.06Å; F75-Y262 AromaticContact CD2-CD2 3.94Å; F75-Y262 HydrophobicContact CD2-CD2 3.94Å; F75-Y262 HydrophobicContact CG-CD2 4.4Å; F75-K264 CarbonylContact C-O 3.57Å; F75-K264 VanDerWaalsContact CA-O 3.29Å; F75-K264 WeakPolarHBondContact CA-O 3.3Å; F75-K264 WeakPolarHBondContact CB-O 3.45Å; F75-Y267 HydrophobicContact CD1-CD2 4.17Å; F75-Y267 HydrophobicContact CD2-CD2 4.1Å; F75-Y267 AromaticContact CE1-CD2 3.93Å; F75-Y267 HydrophobicContact CE1-CD2 3.93Å; F75-Y267 HydrophobicContact CE1-CE2 4.22Å; F75-Y267 AromaticContact CE2-CD2 3.85Å; F75-Y267 HydrophobicContact CE2-CD2 3.85Å; F75-Y267 HydrophobicContact CE2-CE2 4.14Å; F75-Y267 HydrophobicContact CG-CD2 4.24Å; F75-Y267 AromaticContact CZ-CD2 3.75Å; F75-Y267 HydrophobicContact CZ-CD2 3.75Å; F75-Y267 AromaticContact CZ-CE2 3.8Å; F75-Y267 HydrophobicContact CZ-CE2 3.8Å
76	K	98.7	Very high	98.1	Very high	64 Å²	64	49.1 Å²	49.1	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	173.3	-62.8	-64	178.3	-174.3	0	110.2	N69 R71 R263 K264	N69-K76 HydrophobicContact CB-CD 4.18Å; N69-K76 PolarHBondContact O-NZ 3.43Å; N69-K76 WeakPolarHBondContact OD1-CA 3.45Å; N69-K76 WeakPolarHBondContact OD1-CB 3.21Å; N69-K76 VanDerWaalsContact OD1-CD 3.24Å; N69-K76 WeakPolarHBondContact OD1-CD 3.47Å; R71-K76 PolarHBondContact O-NZ 3.08Å; K76-R263 WeakPolarHBondContact O-CB 3.42Å; K76-R263 PolarHBondContact O-N 2.99Å; K76-K264 HydrophobicContact CB-CG 4.25Å; K76-K264 PolarHBondContact N-O 3.45Å; K76-K264 PolarHBondContact O-N 3.39Å
77	M	98.8	Very high	98.1	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.054	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	163.5	172.4	-64.6	163.3	71.6	0	0	110.3	I65 H68 N69 F75 M261	I65-M77 HydrophobicContact CB-CB 4.35Å; I65-M77 HydrophobicContact CG1-CB 3.92Å; I65-M77 HydrophobicContact CG1-CE 3.99Å; I65-M77 HydrophobicContact CG2-CB 4.16Å; H68-M77 HydrophobicContact CB-SD 3.47Å; H68-M77 WeakPolarHBondContact CB-SD 3.46Å; N69-M77 PolarHBondContact ND2-O 3.07Å; N69-M77 PolarHBondContact OD1-N 3.34Å; F75-M77 HydrophobicContact CD2-CG 4.41Å; F75-M77 HydrophobicContact CE2-CG 3.79Å; M77-M261 CarbonylContact C-O 3.52Å; M77-M261 WeakPolarHBondContact CA-O 3.38Å; M77-M261 HydrophobicContact CB-CB 4.07Å; M77-M261 WeakPolarHBondContact CB-O 3.4Å; M77-M261 HydrophobicContact CE-CB 3.44Å; M77-M261 VanDerWaalsContact CE-CB 3.44Å; M77-M261 HydrophobicContact CE-CG 3.88Å; M77-M261 HydrophobicContact CG-CB 4.16Å
78	G	98.5	Very high	98.1	Very high	13 Å²	13	48.8 Å²	48.8	13%	0.134	27%	0.269	C	S	.	.			trans	-162.5	160.3	176.3	0	0	0	0	0	112.6	M261	G78-M261 PolarHBondContact N-O 2.93Å
79	L	98.5	Very high	98.1	Very high	65 Å²	65	48.3 Å²	48.3	34%	0.34	27%	0.266	S	S	.	.			trans	-63.1	140.5	174.4	-62.6	174.8	0	0	0	110.5	F58 L62 I65 S83	F58-L79 HydrophobicContact CD2-CD2 4.48Å; F58-L79 HydrophobicContact CE2-CD1 4.13Å; F58-L79 HydrophobicContact CE2-CD2 3.76Å; F58-L79 HydrophobicContact CZ-CD1 3.7Å; F58-L79 HydrophobicContact CZ-CD2 3.92Å; F58-L79 HydrophobicContact CZ-CG 4.46Å; L62-L79 HydrophobicContact CB-CD2 4.45Å; L62-L79 HydrophobicContact CD1-CD1 4.22Å; L62-L79 HydrophobicContact CD1-CD2 4.17Å; L62-L79 HydrophobicContact CD1-CG 4.31Å; I65-L79 HydrophobicContact CD1-CD2 3.74Å; I65-L79 HydrophobicContact CD1-CG 4.35Å; L79-S83 VanDerWaalsContact CA-OG 3.28Å; L79-S83 WeakPolarHBondContact CA-OG 3.46Å; L79-S83 WeakPolarHBondContact CD2-OG 3.44Å
80	N	98.5	Very high	98	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.053	25%	0.254	C	S	.	.			trans	-153.4	-169.9	-179.7	66.4	36.7	0	0	0	110.1	W38 F82 S83 M260	W38-N80 PolarHBondContact NE1-O 2.93Å; N80-F82 PolarHBondContact O-N 2.79Å; N80-F82 VanDerWaalsContact O-N 3.09Å; N80-F82 WeakPolarHBondContact OD1-CA 3.35Å; N80-F82 WeakPolarHBondContact OD1-CB 3.48Å; N80-F82 WeakPolarHBondContact OD1-CD2 3.41Å; N80-F82 PolarHBondContact OD1-N 3.35Å; N80-S83 PolarHBondContact N-OG 3.03Å; N80-S83 WeakPolarHBondContact O-CB 3.29Å; N80-S83 PolarHBondContact O-N 3.39Å; N80-S83 VanDerWaalsContact O-N 3.14Å; N80-S83 PolarHBondContact O-OG 2.76Å; N80-S83 VanDerWaalsContact O-OG 3.06Å; N80-M260 PolarHBondContact ND2-O 3.07Å
81	Q	98.4	Very high	98	Very high	38 Å²	38	46.8 Å²	46.8	18%	0.178	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.4	-176.8	70.1	-89.9	31.5	0	0	115.2	W303	Q81-W303 PolarHBondContact NE2-O 3.47Å
82	F	98.5	Very high	98	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	0.4	179.4	-50.9	-60.6	0	0	0	112.6	N80 D84 M85 L90 Y94 M260 W303 W307	N80-F82 PolarHBondContact O-N 2.79Å; N80-F82 VanDerWaalsContact O-N 3.09Å; N80-F82 WeakPolarHBondContact OD1-CA 3.35Å; N80-F82 WeakPolarHBondContact OD1-CB 3.48Å; N80-F82 WeakPolarHBondContact OD1-CD2 3.41Å; N80-F82 PolarHBondContact OD1-N 3.35Å; F82-D84 PolarHBondContact O-N 3.49Å; F82-M85 HydrophobicContact CD1-SD 4.1Å; F82-M85 WeakPolarHBondContact O-CB 3.15Å; F82-M85 PolarHBondContact O-N 2.84Å; F82-L90 HydrophobicContact CB-CD1 4.2Å; F82-L90 HydrophobicContact CD1-CD1 3.83Å; F82-L90 HydrophobicContact CD2-CD1 4.18Å; F82-L90 HydrophobicContact CE1-CD1 4.21Å; F82-L90 HydrophobicContact CG-CD1 3.81Å; F82-Y94 HydrophobicContact CD1-CE2 4.32Å; F82-Y94 AromaticContact CE1-CD1 3.99Å; F82-Y94 HydrophobicContact CE1-CD1 3.99Å; F82-Y94 HydrophobicContact CE1-CD2 4.22Å; F82-Y94 AromaticContact CE1-CE1 3.68Å; F82-Y94 HydrophobicContact CE1-CE1 3.68Å; F82-Y94 AromaticContact CE1-CE2 3.95Å; F82-Y94 HydrophobicContact CE1-CE2 3.95Å; F82-Y94 HydrophobicContact CE1-CG 4.26Å; F82-Y94 AromaticContact CE1-CZ 3.68Å; F82-Y94 HydrophobicContact CZ-CD1 4.38Å; F82-Y94 HydrophobicContact CZ-CE1 4.31Å; F82-M260 HydrophobicContact CB-CE 3.74Å; F82-M260 HydrophobicContact CB-CG 3.7Å; F82-M260 HydrophobicContact CB-SD 3.91Å; F82-M260 HydrophobicContact CD2-CG 4.1Å; F82-M260 HydrophobicContact CG-CG 4.13Å; F82-M260 WeakPolarHBondContact O-CE 3.43Å; F82-W303 HydrophobicContact CE2-CB 4.15Å; F82-W303 AromaticContact CE2-CD2 3.83Å; F82-W303 HydrophobicContact CE2-CD2 3.83Å; F82-W303 AromaticContact CE2-CE3 3.6Å; F82-W303 HydrophobicContact CE2-CE3 3.6Å; F82-W303 HydrophobicContact CE2-CG 4.09Å; F82-W303 HydrophobicContact CE2-CZ3 4.29Å; F82-W303 HydrophobicContact CZ-CB 4.02Å; F82-W303 AromaticContact CZ-CD2 3.9Å; F82-W303 HydrophobicContact CZ-CD2 3.9Å; F82-W303 HydrophobicContact CZ-CE3 4.17Å; F82-W303 AromaticContact CZ-CG 3.84Å; F82-W303 HydrophobicContact CZ-CG 3.84Å; F82-W307 AromaticContact CE2-CD1 3.8Å
83	S	98.5	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.8	-169.8	-65.4	0	0	0	0	115.8	F58 N61 L79 N80	F58-S83 VanDerWaalsContact CA-O 3.29Å; F58-S83 WeakPolarHBondContact CA-O 3.37Å; N61-S83 PolarHBondContact ND2-O 2.95Å; L79-S83 VanDerWaalsContact CA-OG 3.28Å; L79-S83 WeakPolarHBondContact CA-OG 3.46Å; L79-S83 WeakPolarHBondContact CD2-OG 3.44Å; N80-S83 PolarHBondContact N-OG 3.03Å; N80-S83 WeakPolarHBondContact O-CB 3.29Å; N80-S83 PolarHBondContact O-N 3.39Å; N80-S83 VanDerWaalsContact O-N 3.14Å; N80-S83 PolarHBondContact O-OG 2.76Å; N80-S83 VanDerWaalsContact O-OG 3.06Å
84	D	98.4	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	15.2	175.1	74.2	-19.9	0	0	0	113.7	F35 W38 Y46 R54 V57 F58 F82	F35-D84 HydrophobicContact CE2-CB 3.92Å; W38-D84 HydrophobicContact CH2-CB 3.79Å; W38-D84 VanDerWaalsContact CH2-OD1 3.23Å; W38-D84 WeakPolarHBondContact CH2-OD1 3.38Å; W38-D84 VanDerWaalsContact CH2-OD2 3.23Å; W38-D84 WeakPolarHBondContact CH2-OD2 3.46Å; W38-D84 HydrophobicContact CZ3-CB 3.83Å; W38-D84 VanDerWaalsContact CZ3-CG 3.47Å; W38-D84 WeakPolarHBondContact CZ3-OD2 3.42Å; Y46-D84 VanDerWaalsContact CZ-OD2 3.25Å; Y46-D84 PolarHBondContact OH-OD2 3.32Å; R54-D84 HydrophobicContact CB-CB 4.41Å; R54-D84 WeakPolarHBondContact CD-O 3.28Å; R54-D84 PolarHBondContact NH1-O 3.4Å; V57-D84 VanDerWaalsContact CG1-C 3.47Å; F58-D84 HydrophobicContact CB-CB 4.4Å; F82-D84 PolarHBondContact O-N 3.49Å
85	M	98.3	Very high	98.2	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.025	19%	0.191	C	C	.	.	S	Bend	trans	-107.5	141.5	177.2	-61.3	-173.2	70.4	0	0	110.5	V57 N61 F82 E89 K93 Y94 M260	V57-M85 WeakPolarHBondContact CG1-O 3.41Å; N61-M85 PolarHBondContact ND2-O 2.98Å; F82-M85 HydrophobicContact CD1-SD 4.1Å; F82-M85 WeakPolarHBondContact O-CB 3.15Å; F82-M85 PolarHBondContact O-N 2.84Å; M85-E89 HydrophobicContact CE-CB 4.03Å; M85-E89 VanDerWaalsContact CE-CD 3.42Å; M85-E89 HydrophobicContact CE-CG 3.48Å; M85-E89 VanDerWaalsContact CE-CG 3.48Å; M85-K93 HydrophobicContact CE-CD 3.78Å; M85-Y94 HydrophobicContact CE-CD2 4.42Å; M85-Y94 HydrophobicContact CE-CE2 3.87Å; M85-Y94 HydrophobicContact SD-CE2 3.96Å; M85-M260 WeakPolarHBondContact O-CE 3.31Å
86	S	98.3	Very high	98.2	Very high	45 Å²	45	38.8 Å²	38.8	32%	0.315	19%	0.191	S	C	.	.			trans	-76	155.7	166.4	68.6	0	0	0	0	109.5	A88 E89 L90	S86-A88 PolarHBondContact O-N 3.47Å; S86-E89 PolarHBondContact O-N 3.22Å; S86-E89 PolarHBondContact OG-N 3.33Å; S86-L90 PolarHBondContact O-N 2.65Å
87	F	98.1	Very high	98	Very high	63 Å²	63	39.5 Å²	39.5	28%	0.276	20%	0.204	S	C	.	.	H	α-helix	trans	-61.2	-32.7	176.6	-174.7	-115.6	0	0	0	112.5	E89 L90 K91 L95 V255 A257	F87-E89 VanDerWaalsContact C-N 3.35Å; F87-E89 PolarHBondContact O-N 2.63Å; F87-L90 HydrophobicContact CD2-CD2 4.33Å; F87-L90 HydrophobicContact CE2-CD2 4.11Å; F87-L90 PolarHBondContact O-N 2.93Å; F87-K91 WeakPolarHBondContact O-CB 3.48Å; F87-K91 PolarHBondContact O-N 3.42Å; F87-L95 HydrophobicContact CE2-CD1 4.22Å; F87-L95 HydrophobicContact CZ-CD1 4.16Å; F87-V255 HydrophobicContact CE2-CG1 4.16Å; F87-V255 WeakPolarHBondContact CZ-O 3.17Å; F87-A257 HydrophobicContact CB-CB 3.9Å; F87-A257 HydrophobicContact CD1-CB 4.33Å; F87-A257 HydrophobicContact CD2-CB 4.01Å; F87-A257 HydrophobicContact CG-CB 3.81Å
88	A	98.2	Very high	97.7	Very high	75 Å²	75	42.8 Å²	42.8	62%	0.62	22%	0.219	S	C	*	.	H	α-helix	trans	-63.2	-40.3	173.9	0	0	0	0	0	112.2	S86 R92	S86-A88 PolarHBondContact O-N 3.47Å; A88-R92 PolarHBondContact O-N 3.35Å
89	E	98.1	Very high	97.6	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-41.9	174.8	-167.2	-172	175.7	0	0	111.7	R54 M85 S86 F87 R92 K93	R54-E89 IonicContact CZ-OE1 2.66Å; R54-E89 IonicContact CZ-OE2 3.54Å; R54-E89 IonicContact NH1-OE1 3.33Å; R54-E89 IonicContact NH1-OE2 2.98Å; R54-E89 PolarHBondContact NH1-OE2 3.41Å; R54-E89 IonicContact NH2-OE1 3.05Å; R54-E89 PolarHBondContact NH2-OE1 3.12Å; R54-E89 VanDerWaalsContact NH2-OE1 3.08Å; R54-E89 IonicContact NH2-OE2 2.66Å; M85-E89 HydrophobicContact CE-CB 4.03Å; M85-E89 VanDerWaalsContact CE-CD 3.42Å; M85-E89 HydrophobicContact CE-CG 3.48Å; M85-E89 VanDerWaalsContact CE-CG 3.48Å; S86-E89 PolarHBondContact O-N 3.22Å; S86-E89 PolarHBondContact OG-N 3.33Å; F87-E89 VanDerWaalsContact C-N 3.35Å; F87-E89 PolarHBondContact O-N 2.63Å; E89-R92 PolarHBondContact O-N 3.39Å; E89-K93 HydrophobicContact CG-CD 4.16Å; E89-K93 PolarHBondContact O-N 3.3Å; E89-K93 VanDerWaalsContact O-N 3.16Å; E89-K93 IonicContact OE1-NZ 3.39Å; E89-K93 PolarHBondContact OE1-NZ 3.49Å
90	L	97.9	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-48.4	175.6	-178.3	141.3	0	0	0	110.7	F82 S86 F87 R92 K93 Y94 L95 M260	F82-L90 HydrophobicContact CB-CD1 4.2Å; F82-L90 HydrophobicContact CD1-CD1 3.83Å; F82-L90 HydrophobicContact CD2-CD1 4.18Å; F82-L90 HydrophobicContact CE1-CD1 4.21Å; F82-L90 HydrophobicContact CG-CD1 3.81Å; S86-L90 PolarHBondContact O-N 2.65Å; F87-L90 HydrophobicContact CD2-CD2 4.33Å; F87-L90 HydrophobicContact CE2-CD2 4.11Å; F87-L90 PolarHBondContact O-N 2.93Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 2.95Å; L90-K93 PolarHBondContact O-N 2.99Å; L90-K93 VanDerWaalsContact O-N 3.07Å; L90-Y94 HydrophobicContact CG-CD2 4.15Å; L90-Y94 HydrophobicContact CG-CG 4.49Å; L90-Y94 PolarHBondContact O-N 2.84Å; L90-L95 HydrophobicContact CD2-CD1 3.73Å; L90-L95 HydrophobicContact CD2-CD2 4.09Å; L90-L95 HydrophobicContact CD2-CG 3.7Å; L90-M260 HydrophobicContact CB-SD 3.89Å; L90-M260 HydrophobicContact CD1-CB 4.07Å; L90-M260 HydrophobicContact CD1-CG 3.45Å; L90-M260 VanDerWaalsContact CD1-CG 3.45Å; L90-M260 HydrophobicContact CD1-SD 3.26Å; L90-M260 WeakPolarHBondContact CD1-SD 3.49Å; L90-M260 HydrophobicContact CG-SD 4.07Å
91	K	97.1	Very high	97.2	Very high	105 Å²	105	49 Å²	49	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-55.5	-44.2	-179.9	-176.4	173.5	-178.9	177.1	0	111.8	F87 K93 L95	F87-K91 WeakPolarHBondContact O-CB 3.48Å; F87-K91 PolarHBondContact O-N 3.42Å; K91-K93 PolarHBondContact O-N 2.9Å; K91-L95 HydrophobicContact CB-CD1 4.21Å; K91-L95 HydrophobicContact CG-CB 4.39Å; K91-L95 HydrophobicContact CG-CD1 4.25Å; K91-L95 PolarHBondContact O-N 3.34Å
92	R	97.3	Very high	96.6	Very high	189 Å²	189	47.4 Å²	47.4	71%	0.713	25%	0.247	S	C	*	.	H	α-helix	trans	-67.7	-30.8	178.9	-177.4	178.5	56.9	171.2	-3.8	113.8	A88 E89 L90	A88-R92 PolarHBondContact O-N 3.35Å; E89-R92 PolarHBondContact O-N 3.39Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 2.95Å
93	K	96.9	Very high	95.5	Very high	74 Å²	74	51.1 Å²	51.1	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-100	-28.1	-172.4	-75.2	-177.8	172.6	173.5	0	114.4	M85 E89 L90 K91 S137 C138	M85-K93 HydrophobicContact CE-CD 3.78Å; E89-K93 HydrophobicContact CG-CD 4.16Å; E89-K93 PolarHBondContact O-N 3.3Å; E89-K93 VanDerWaalsContact O-N 3.16Å; E89-K93 IonicContact OE1-NZ 3.39Å; E89-K93 PolarHBondContact OE1-NZ 3.49Å; L90-K93 PolarHBondContact O-N 2.99Å; L90-K93 VanDerWaalsContact O-N 3.07Å; K91-K93 PolarHBondContact O-N 2.9Å; K93-S137 CarbonylContact O-C 3.14Å; K93-S137 WeakPolarHBondContact O-CA 3.4Å; K93-C138 PolarHBondContact O-N 3.03Å; K93-C138 VanDerWaalsContact O-N 3.09Å
94	Y	98.3	Very high	94.3	Very high	30 Å²	30	53.8 Å²	53.8	12%	0.118	30%	0.295	C	S	.	.	H	α-helix	trans	-127.4	-18.7	-167.2	-66.4	-91.2	0	0	0	114.5	F82 M85 L90 Q135 G136 S137	F82-Y94 HydrophobicContact CD1-CE2 4.32Å; F82-Y94 AromaticContact CE1-CD1 3.99Å; F82-Y94 HydrophobicContact CE1-CD1 3.99Å; F82-Y94 HydrophobicContact CE1-CD2 4.22Å; F82-Y94 AromaticContact CE1-CE1 3.68Å; F82-Y94 HydrophobicContact CE1-CE1 3.68Å; F82-Y94 AromaticContact CE1-CE2 3.95Å; F82-Y94 HydrophobicContact CE1-CE2 3.95Å; F82-Y94 HydrophobicContact CE1-CG 4.26Å; F82-Y94 AromaticContact CE1-CZ 3.68Å; F82-Y94 HydrophobicContact CZ-CD1 4.38Å; F82-Y94 HydrophobicContact CZ-CE1 4.31Å; M85-Y94 HydrophobicContact CE-CD2 4.42Å; M85-Y94 HydrophobicContact CE-CE2 3.87Å; M85-Y94 HydrophobicContact SD-CE2 3.96Å; L90-Y94 HydrophobicContact CG-CD2 4.15Å; L90-Y94 HydrophobicContact CG-CG 4.49Å; L90-Y94 PolarHBondContact O-N 2.84Å; Y94-Q135 PolarHBondContact O-NE2 3.26Å; Y94-G136 WeakPolarHBondContact CD1-O 3.27Å; Y94-G136 VanDerWaalsContact CE1-C 3.43Å; Y94-G136 WeakPolarHBondContact CE1-O 3.44Å; Y94-S137 PolarHBondContact OH-OG 3.18Å; Y94-S137 VanDerWaalsContact OH-OG 3.1Å
95	L	98.4	Very high	92.7	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	34%	0.336	C	S	.	.	S	Bend	trans	-106.3	171	-179.8	-53.5	-177.5	0	0	0	110.4	F87 L90 K91 V255 H281 W303	F87-L95 HydrophobicContact CE2-CD1 4.22Å; F87-L95 HydrophobicContact CZ-CD1 4.16Å; L90-L95 HydrophobicContact CD2-CD1 3.73Å; L90-L95 HydrophobicContact CD2-CD2 4.09Å; L90-L95 HydrophobicContact CD2-CG 3.7Å; K91-L95 HydrophobicContact CB-CD1 4.21Å; K91-L95 HydrophobicContact CG-CB 4.39Å; K91-L95 HydrophobicContact CG-CD1 4.25Å; K91-L95 PolarHBondContact O-N 3.34Å; L95-V255 HydrophobicContact CD1-CB 4.09Å; L95-V255 HydrophobicContact CD1-CG1 4.08Å; L95-V255 HydrophobicContact CD2-CB 4.09Å; L95-V255 HydrophobicContact CD2-CG1 4.21Å; L95-V255 HydrophobicContact CD2-CG2 4.24Å; L95-H281 HydrophobicContact CD2-CB 4.14Å; L95-W303 HydrophobicContact CD2-CZ2 4.13Å
96	W	98.3	Very high	91.7	Very high	5 Å²	5	68.5 Å²	68.5	2%	0.019	37%	0.371	C	S	.	.			trans	-65.1	136.9	174.8	-56.3	-19.8	0	0	0	111.2	E98 Q100 C141 W142 Q182 G184 L185 A252 V279 N280 A282	W96-E98 VanDerWaalsContact C-N 3.33Å; W96-Q100 HydrophobicContact CD2-CG 3.8Å; W96-Q100 HydrophobicContact CE3-CB 4.15Å; W96-Q100 HydrophobicContact CE3-CG 3.34Å; W96-Q100 HydrophobicContact CG-CG 4.44Å; W96-Q100 HydrophobicContact CH2-CG 4.3Å; W96-Q100 HydrophobicContact CZ3-CB 4Å; W96-Q100 HydrophobicContact CZ3-CG 3.63Å; W96-C141 PolarHBondContact NE1-SG 3.44Å; W96-W142 HydrophobicContact CZ2-CB 4.09Å; W96-W142 AromaticContact NE1-CD1 3.96Å; W96-Q182 CarbonylContact C-O 3.32Å; W96-Q182 VanDerWaalsContact CA-O 3.3Å; W96-Q182 WeakPolarHBondContact CA-O 3.41Å; W96-G184 WeakPolarHBondContact CH2-O 3.46Å; W96-G184 WeakPolarHBondContact CZ2-O 3.43Å; W96-L185 HydrophobicContact CH2-CD2 3.71Å; W96-L185 HydrophobicContact CZ3-CD2 4.13Å; W96-A252 HydrophobicContact CH2-CB 3.7Å; W96-A252 HydrophobicContact CZ3-CB 4.26Å; W96-V279 HydrophobicContact CZ3-CG2 4.04Å; W96-N280 PolarHBondContact N-O 2.95Å; W96-N280 VanDerWaalsContact N-O 3.14Å; W96-A282 HydrophobicContact CH2-CB 4.24Å; W96-A282 HydrophobicContact CZ2-CB 3.71Å
97	S	94.8	Very high	91.3	Very high	80 Å²	80	69 Å²	69	56%	0.559	37%	0.374	S	S	*	.	S	Bend	trans	-77.8	-23.2	179.1	50.4	0	0	0	0	112.6	Q182	S97-Q182 PolarHBondContact N-O 2.73Å; S97-Q182 VanDerWaalsContact OG-CB 3.27Å; S97-Q182 WeakPolarHBondContact OG-CB 3.5Å; S97-Q182 PolarHBondContact OG-O 3.05Å
98	E	92.7	Very high	91	Very high	80 Å²	80	70.6 Å²	70.6	37%	0.374	39%	0.386	S	S	.	.	S	Bend	trans	-140	151.7	-179.2	63.5	-173.5	176	0	0	112.1	W96 Q100 H179	W96-E98 VanDerWaalsContact C-N 3.33Å; E98-Q100 PolarHBondContact O-N 2.97Å; E98-Q100 PolarHBondContact O-NE2 3.25Å; E98-H179 IonicContact OE1-CE1 3.16Å; E98-H179 IonicContact OE1-CG 3.06Å; E98-H179 IonicContact OE1-ND1 3.45Å
99	P	95.8	Very high	90.8	Very high	90 Å²	90	68 Å²	68	58%	0.584	36%	0.36	S	S	*	.			trans	-55.9	136.8	172.3	-23.2	34.1	0	0	0	111.2
100	Q	95.3	Very high	90.4	Very high	12 Å²	12	74.7 Å²	74.7	6%	0.056	40%	0.396	C	S	.	.			trans	-96.1	163.8	176.4	-56.6	-61.3	-62.9	0	0	110.5	W96 E98 C102 L185	W96-Q100 HydrophobicContact CD2-CG 3.8Å; W96-Q100 HydrophobicContact CE3-CB 4.15Å; W96-Q100 HydrophobicContact CE3-CG 3.34Å; W96-Q100 HydrophobicContact CG-CG 4.44Å; W96-Q100 HydrophobicContact CH2-CG 4.3Å; W96-Q100 HydrophobicContact CZ3-CB 4Å; W96-Q100 HydrophobicContact CZ3-CG 3.63Å; E98-Q100 PolarHBondContact O-N 2.97Å; E98-Q100 PolarHBondContact O-NE2 3.25Å; Q100-C102 PolarHBondContact O-N 3.47Å; Q100-L185 HydrophobicContact CB-CD1 3.91Å; Q100-L185 HydrophobicContact CB-CD2 4Å; Q100-L185 HydrophobicContact CB-CG 3.78Å; Q100-L185 HydrophobicContact CG-CG 4.5Å
101	N	93.4	Very high	90.2	Very high	117 Å²	117	80 Å²	80	63%	0.626	42%	0.416	S	S	*	.	S	Bend	trans	-75.8	55.1	178.1	-71.4	-32	0	0	0	112.7	L185	N101-L185 WeakPolarHBondContact O-CD1 3.21Å
102	C	86.8	Confident	90	Very high	3 Å²	3	76.6 Å²	76.6	2%	0.02	41%	0.411	C	S	.	.			trans	-69.2	-33.9	-178.7	174.7	0	0	0	0	111.5	Q100 A104 L185 P276 V279 C327	Q100-C102 PolarHBondContact O-N 3.47Å; C102-A104 PolarHBondContact O-N 2.89Å; C102-A104 VanDerWaalsContact O-N 3.09Å; C102-L185 HydrophobicContact CB-CD1 4.47Å; C102-L185 HydrophobicContact CB-CD2 4.35Å; C102-P276 HydrophobicContact CB-CB 3.96Å; C102-V279 HydrophobicContact CB-CG2 3.99Å; C102-C327 HydrophobicContact CB-CB 3.93Å; C102-C327 WeakPolarHBondContact CB-SG 3.17Å; C102-C327 VanDerWaalsContact O-CB 3.31Å; C102-C327 WeakPolarHBondContact O-CB 3.11Å; C102-C327 WeakPolarHBondContact SG-CB 3.29Å; C102-C327 CovalentContact SG-SG 2.02Å; C102-C327 PolarHBondContact SG-SG 2.63Å
103	S	74.4	Confident	89.8	Confident	80 Å²	80	74.1 Å²	74.1	56%	0.559	42%	0.417	S	S	*	.			trans	-68.8	108.9	176.1	-170.2	0	0	0	0	110.6
104	A	74.1	Confident	89.6	Confident	56 Å²	56	72.1 Å²	72.1	46%	0.463	42%	0.418	S	S	.	.			trans	-105.1	125.5	173	0	0	0	0	0	110.2	C102 K106	C102-A104 PolarHBondContact O-N 2.89Å; C102-A104 VanDerWaalsContact O-N 3.09Å; A104-K106 PolarHBondContact O-N 3.42Å
105	T	63.3	Low	89.4	Confident	139 Å²	139	77.2 Å²	77.2	85%	0.853	45%	0.454	S	S	*	.	S	Bend	trans	-76	-10	172.7	52.6	0	0	0	0	113
106	K	78.4	Confident	89.3	Confident	175 Å²	175	78.5 Å²	78.5	76%	0.761	46%	0.459	S	S	*	.			trans	-133.8	127.6	-177.7	-60.8	-178.9	-177	-179.8	0	109.5	A104	A104-K106 PolarHBondContact O-N 3.42Å
107	S	89.3	Confident	89.2	Confident	55 Å²	55	81 Å²	81	39%	0.385	48%	0.476	S	S	.	.			trans	-121	162	170.4	53.9	0	0	0	0	109.3	N230 T232	S107-N230 WeakPolarHBondContact CB-O 3.42Å; S107-T232 WeakPolarHBondContact CB-OG1 3.29Å; S107-T232 PolarHBondContact OG-OG1 2.83Å
108	N	92.9	Very high	89.4	Confident	98 Å²	98	82.6 Å²	82.6	52%	0.524	49%	0.485	S	S	.	.			trans	-127.4	-8.9	178.3	64.6	-15.1	0	0	0	113.2	V228 N230	N108-V228 PolarHBondContact ND2-O 2.7Å; N108-N230 PolarHBondContact N-O 2.97Å; N108-N230 PolarHBondContact OD1-N 2.89Å; N108-N230 PolarHBondContact OD1-O 2.78Å
109	Y	92.3	Very high	89.6	Confident	19 Å²	19	82.4 Å²	82.4	8%	0.075	49%	0.492	C	S	.	.			trans	-80.5	121.2	174.1	-169.7	-85.9	0	0	0	110.2	R111 A229 N230 I231 A238 E241 A242 Y246 F330	Y109-R111 HydrophobicContact CE1-CB 4.41Å; Y109-A229 HydrophobicContact CD2-CB 4.23Å; Y109-N230 WeakPolarHBondContact CB-O 3.39Å; Y109-N230 PolarHBondContact N-O 2.61Å; Y109-I231 HydrophobicContact CD1-CG1 4.31Å; Y109-I231 HydrophobicContact CG-CG1 4.13Å; Y109-A238 HydrophobicContact CD1-CB 3.82Å; Y109-A238 HydrophobicContact CE1-CB 3.73Å; Y109-E241 WeakPolarHBondContact CE1-OE1 3.4Å; Y109-E241 WeakPolarHBondContact OH-CG 3.38Å; Y109-E241 PolarHBondContact OH-OE1 3.15Å; Y109-A242 HydrophobicContact CE2-CB 4.32Å; Y109-Y246 HydrophobicContact CE2-CD2 4.24Å; Y109-Y246 AromaticContact CE2-CE2 3.99Å; Y109-Y246 HydrophobicContact CE2-CE2 3.99Å; Y109-Y246 VanDerWaalsContact OH-CE2 3.31Å; Y109-Y246 WeakPolarHBondContact OH-CE2 3.5Å; Y109-F330 AromaticContact CD2-CE1 3.7Å; Y109-F330 HydrophobicContact CD2-CE1 3.7Å; Y109-F330 AromaticContact CD2-CZ 3.81Å; Y109-F330 HydrophobicContact CD2-CZ 3.81Å; Y109-F330 AromaticContact CE2-CE1 3.68Å; Y109-F330 HydrophobicContact CE2-CE1 3.68Å; Y109-F330 AromaticContact CE2-CZ 3.63Å; Y109-F330 HydrophobicContact CE2-CZ 3.63Å
110	L	90.9	Very high	89.8	Confident	157 Å²	157	78.9 Å²	78.9	82%	0.822	47%	0.468	S	S	*	.			trans	-109.4	116.8	174.2	-64.4	176.7	0	0	0	108.5
111	R	93.5	Very high	89.9	Confident	111 Å²	111	79 Å²	79	42%	0.419	47%	0.469	S	S	.	.			trans	-66	137.8	179.1	-167.4	179.6	60.7	66	7.2	111	Y109 A238 E241	Y109-R111 HydrophobicContact CE1-CB 4.41Å; R111-A238 HydrophobicContact CB-CB 4.16Å; R111-A238 HydrophobicContact CG-CB 4.32Å; R111-E241 VanDerWaalsContact CA-OE1 3.31Å; R111-E241 WeakPolarHBondContact CA-OE1 3.48Å; R111-E241 HydrophobicContact CG-CB 4.31Å
112	G	93.5	Very high	90.2	Very high	35 Å²	35	74.6 Å²	74.6	36%	0.361	44%	0.443	S	S	.	.			trans	-77.9	-148.6	169.6	0	0	0	0	0	113.3	E241	G112-E241 WeakPolarHBondContact CA-OE2 3.3Å; G112-E241 VanDerWaalsContact N-CD 3.31Å; G112-E241 PolarHBondContact N-OE1 2.86Å; G112-E241 PolarHBondContact N-OE2 3.45Å
113	T	92.6	Very high	90.7	Very high	136 Å²	136	79.2 Å²	79.2	83%	0.834	46%	0.46	S	S	*	.			trans	-122.5	129.9	180	-56.6	0	0	0	0	109.8
114	G	91.7	Very high	91.9	Very high	33 Å²	33	83.2 Å²	83.2	34%	0.34	47%	0.47	S	S	.	.			trans	-78.1	-164.6	174.5	0	0	0	0	0	113.7
115	P	94	Very high	93	Very high	136 Å²	136	86.6 Å²	86.6	88%	0.883	48%	0.475	S	S	*	.	P	Polyproline II helix	cis	-75.4	149.1	6.8	31.1	-35.5	0	0	0	112.9
116	Y	96.7	Very high	94.6	Very high	32 Å²	32	81.7 Å²	81.7	13%	0.125	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-91.5	162.5	170.9	-49.7	-63.1	0	0	0	110.3	E237 V240 E241 L245	Y116-E237 HydrophobicContact CE2-CG 4.48Å; Y116-V240 HydrophobicContact CD2-CB 4.46Å; Y116-V240 HydrophobicContact CD2-CG1 3.78Å; Y116-V240 HydrophobicContact CG-CG1 4.3Å; Y116-E241 HydrophobicContact CD1-CB 4.37Å; Y116-E241 HydrophobicContact CD1-CG 4.28Å; Y116-E241 HydrophobicContact CE1-CB 3.7Å; Y116-E241 HydrophobicContact CE1-CG 3.45Å; Y116-E241 VanDerWaalsContact CE1-CG 3.45Å; Y116-E241 WeakPolarHBondContact CE1-OE2 3.25Å; Y116-E241 HydrophobicContact CE2-CB 3.96Å; Y116-E241 VanDerWaalsContact CZ-CB 3.47Å; Y116-E241 VanDerWaalsContact CZ-OE2 3.32Å; Y116-E241 VanDerWaalsContact OH-CD 3.24Å; Y116-E241 PolarHBondContact OH-OE2 3.37Å; Y116-L245 HydrophobicContact CE1-CD1 4.34Å
117	P	97.8	Very high	95.5	Very high	56 Å²	56	79.1 Å²	79.1	36%	0.364	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-52.7	144.3	175.9	-25.6	34.9	0	0	0	111.7	S119 M120 Y288	P117-S119 PolarHBondContact O-N 2.98Å; P117-M120 HydrophobicContact CB-CG 4.15Å; P117-M120 HydrophobicContact CB-SD 4.11Å; P117-M120 HydrophobicContact CG-CG 4.4Å; P117-M120 HydrophobicContact CG-SD 4.11Å; P117-Y288 WeakPolarHBondContact O-CE2 3.45Å; P117-Y288 PolarHBondContact O-OH 2.02Å
118	P	97.3	Very high	95.9	Very high	115 Å²	115	78.7 Å²	78.7	75%	0.747	44%	0.437	S	S	*	.	S	Bend	trans	-65.2	-25.4	-176.6	25.7	-35.1	0	0	0	113.4
119	S	98.4	Very high	96.2	Very high	75 Å²	75	74.7 Å²	74.7	52%	0.524	42%	0.417	S	S	.	.			trans	-146.5	147.4	174.9	60	0	0	0	0	110.7	P117 Y288	P117-S119 PolarHBondContact O-N 2.98Å; S119-Y288 CarbonylContact C-O 3.52Å; S119-Y288 VanDerWaalsContact CA-O 3.29Å; S119-Y288 WeakPolarHBondContact CA-O 3.27Å
120	M	98.5	Very high	96.5	Very high	16 Å²	16	73.9 Å²	73.9	8%	0.079	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137.6	175.2	-76	-65.6	-65.4	0	0	109.5	P117 A244 G287 Y288	P117-M120 HydrophobicContact CB-CG 4.15Å; P117-M120 HydrophobicContact CB-SD 4.11Å; P117-M120 HydrophobicContact CG-CG 4.4Å; P117-M120 HydrophobicContact CG-SD 4.11Å; M120-A244 WeakPolarHBondContact CE-O 3.19Å; M120-A244 HydrophobicContact CG-CB 4.26Å; M120-G287 CarbonylContact O-C 3.52Å; M120-G287 WeakPolarHBondContact O-CA 3.29Å; M120-Y288 HydrophobicContact CB-CD1 4.14Å; M120-Y288 HydrophobicContact CB-CE1 3.75Å; M120-Y288 HydrophobicContact CG-CE1 3.87Å; M120-Y288 PolarHBondContact N-O 2.98Å; M120-Y288 PolarHBondContact O-N 3.45Å; M120-Y288 VanDerWaalsContact O-O 3.12Å
121	D	98.8	Very high	96.8	Very high	16 Å²	16	70.3 Å²	70.3	9%	0.086	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	108.5	171.6	-169.4	-20	0	0	0	109.7	R123 E124 K125 I298	D121-R123 PolarHBondContact O-N 3.12Å; D121-R123 WeakPolarHBondContact OD1-CB 3.39Å; D121-R123 VanDerWaalsContact OD1-CG 3.22Å; D121-R123 WeakPolarHBondContact OD1-CG 3.47Å; D121-R123 IonicContact OD1-CZ 2.87Å; D121-R123 PolarHBondContact OD1-N 3.4Å; D121-R123 IonicContact OD1-NE 3.87Å; D121-R123 PolarHBondContact OD1-NE 3.1Å; D121-R123 IonicContact OD1-NH2 2.74Å; D121-R123 IonicContact OD2-CZ 3.76Å; D121-R123 VanDerWaalsContact OD2-CZ 3.25Å; D121-R123 IonicContact OD2-NE 3.81Å; D121-R123 PolarHBondContact OD2-NE 2.76Å; D121-R123 IonicContact OD2-NH2 3.08Å; D121-R123 PolarHBondContact OD2-NH2 2.84Å; D121-E124 HydrophobicContact CB-CB 4.41Å; D121-E124 HydrophobicContact CB-CG 4.13Å; D121-E124 PolarHBondContact O-N 2.7Å; D121-E124 VanDerWaalsContact O-N 3.07Å; D121-K125 WeakPolarHBondContact O-CG 3.49Å; D121-K125 PolarHBondContact O-N 3.08Å; D121-I298 HydrophobicContact CB-CD1 4.04Å
122	W	98.8	Very high	97.1	Very high	23 Å²	23	66.1 Å²	66.1	9%	0.087	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-19.7	-179.9	-78.5	102.7	0	0	0	113.2	E124 K125 F128 V129 I156 V243 P248 V286	W122-E124 VanDerWaalsContact C-N 3.29Å; W122-K125 HydrophobicContact CE3-CB 4.24Å; W122-F128 HydrophobicContact CE3-CB 4.28Å; W122-F128 AromaticContact CE3-CD2 3.76Å; W122-F128 HydrophobicContact CE3-CD2 3.76Å; W122-F128 HydrophobicContact CE3-CE2 4.43Å; W122-F128 HydrophobicContact CE3-CG 4.24Å; W122-F128 HydrophobicContact CZ3-CD2 4.07Å; W122-F128 HydrophobicContact CZ3-CE2 4.33Å; W122-V129 HydrophobicContact CB-CG2 3.81Å; W122-I156 HydrophobicContact CD2-CD1 4.03Å; W122-I156 HydrophobicContact CE3-CD1 3.63Å; W122-I156 HydrophobicContact CE3-CG1 3.93Å; W122-I156 HydrophobicContact CH2-CD1 3.62Å; W122-I156 HydrophobicContact CH2-CG1 4.1Å; W122-I156 HydrophobicContact CH2-CG2 4.26Å; W122-I156 HydrophobicContact CZ2-CD1 4.02Å; W122-I156 HydrophobicContact CZ3-CD1 3.42Å; W122-I156 VanDerWaalsContact CZ3-CD1 3.42Å; W122-I156 HydrophobicContact CZ3-CG1 3.55Å; W122-I156 HydrophobicContact CZ3-CG2 4.28Å; W122-V243 PolarHBondContact NE1-O 2.95Å; W122-P248 HydrophobicContact CB-CG 4.07Å; W122-P248 HydrophobicContact CD2-CG 4.48Å; W122-P248 HydrophobicContact CG-CG 3.8Å; W122-V286 WeakPolarHBondContact CB-O 3.13Å; W122-V286 VanDerWaalsContact CD1-O 3.26Å; W122-V286 PolarHBondContact N-O 3.05Å
123	R	98.6	Very high	97.4	Very high	100 Å²	100	66.4 Å²	66.4	38%	0.377	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-26.8	175.6	-52.5	172.9	-63.5	177.5	7.9	112.1	D121 V129 V286	D121-R123 PolarHBondContact O-N 3.12Å; D121-R123 WeakPolarHBondContact OD1-CB 3.39Å; D121-R123 VanDerWaalsContact OD1-CG 3.22Å; D121-R123 WeakPolarHBondContact OD1-CG 3.47Å; D121-R123 IonicContact OD1-CZ 2.87Å; D121-R123 PolarHBondContact OD1-N 3.4Å; D121-R123 IonicContact OD1-NE 3.87Å; D121-R123 PolarHBondContact OD1-NE 3.1Å; D121-R123 IonicContact OD1-NH2 2.74Å; D121-R123 IonicContact OD2-CZ 3.76Å; D121-R123 VanDerWaalsContact OD2-CZ 3.25Å; D121-R123 IonicContact OD2-NE 3.81Å; D121-R123 PolarHBondContact OD2-NE 2.76Å; D121-R123 IonicContact OD2-NH2 3.08Å; D121-R123 PolarHBondContact OD2-NH2 2.84Å; R123-V129 HydrophobicContact CG-CB 4.14Å; R123-V129 HydrophobicContact CG-CG1 4.4Å; R123-V129 HydrophobicContact CG-CG2 4.03Å; R123-V286 HydrophobicContact CG-CG2 4.4Å
124	E	98.1	Very high	97.6	Very high	165 Å²	165	64 Å²	64	77%	0.771	36%	0.36	S	S	*	.	H	α-helix	trans	-93.5	-18.7	-179.6	-61	-173.7	165.7	0	0	112.4	D121 W122 G126	D121-E124 HydrophobicContact CB-CB 4.41Å; D121-E124 HydrophobicContact CB-CG 4.13Å; D121-E124 PolarHBondContact O-N 2.7Å; D121-E124 VanDerWaalsContact O-N 3.07Å; W122-E124 VanDerWaalsContact C-N 3.29Å; E124-G126 VanDerWaalsContact C-N 3.32Å
125	K	97.3	Very high	97.9	Very high	127 Å²	127	62.5 Å²	62.5	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-75.6	-19.1	180	-68.9	-75.7	179.2	175.5	0	113.6	D121 W122 F128	D121-K125 WeakPolarHBondContact O-CG 3.49Å; D121-K125 PolarHBondContact O-N 3.08Å; W122-K125 HydrophobicContact CE3-CB 4.24Å; K125-F128 HydrophobicContact CB-CD2 3.95Å; K125-F128 HydrophobicContact CB-CE2 4Å; K125-F128 WeakPolarHBondContact O-CE2 3.39Å
126	G	96.4	Very high	98.1	Very high	35 Å²	35	57 Å²	57	36%	0.361	31%	0.313	S	S	.	.	S	Bend	trans	157.8	-169.6	-177.7	0	0	0	0	0	111.5	E124 F128	E124-G126 VanDerWaalsContact C-N 3.32Å; G126-F128 PolarHBondContact O-N 2.96Å
127	N	97.6	Very high	98.1	Very high	122 Å²	122	58.9 Å²	58.9	65%	0.652	33%	0.33	S	S	*	.	S	Bend	trans	-80.4	62.2	175.7	-169.3	34.6	0	0	0	111.2	L161	N127-L161 WeakPolarHBondContact OD1-CD2 3.49Å
128	F	98.6	Very high	98.2	Very high	45 Å²	45	56.4 Å²	56.4	20%	0.197	31%	0.314	C	S	.	.			trans	-106.2	-8.8	-173	-60.4	-49.7	0	0	0	114.3	W122 K125 G126 S152 A155 I156	W122-F128 HydrophobicContact CE3-CB 4.28Å; W122-F128 AromaticContact CE3-CD2 3.76Å; W122-F128 HydrophobicContact CE3-CD2 3.76Å; W122-F128 HydrophobicContact CE3-CE2 4.43Å; W122-F128 HydrophobicContact CE3-CG 4.24Å; W122-F128 HydrophobicContact CZ3-CD2 4.07Å; W122-F128 HydrophobicContact CZ3-CE2 4.33Å; K125-F128 HydrophobicContact CB-CD2 3.95Å; K125-F128 HydrophobicContact CB-CE2 4Å; K125-F128 WeakPolarHBondContact O-CE2 3.39Å; G126-F128 PolarHBondContact O-N 2.96Å; F128-S152 WeakPolarHBondContact O-CA 3.42Å; F128-S152 WeakPolarHBondContact O-CB 3.4Å; F128-S152 PolarHBondContact O-OG 2.66Å; F128-S152 VanDerWaalsContact O-OG 3.04Å; F128-A155 HydrophobicContact CD1-CB 3.96Å; F128-A155 WeakPolarHBondContact CE1-O 3.41Å; F128-I156 HydrophobicContact CB-CG1 4.11Å; F128-I156 HydrophobicContact CD1-CB 4.43Å; F128-I156 HydrophobicContact CD1-CG1 3.74Å; F128-I156 HydrophobicContact CD2-CG1 4.39Å; F128-I156 HydrophobicContact CE1-CG1 4.23Å; F128-I156 HydrophobicContact CG-CG1 3.84Å
129	V	98.7	Very high	98.2	Very high	15 Å²	15	51 Å²	51	9%	0.091	28%	0.279	C	S	.	.	S	Bend	trans	-125.6	121.2	-178.5	-177.2	0	0	0	0	108.8	W122 R123 V286 K300 Y312	W122-V129 HydrophobicContact CB-CG2 3.81Å; R123-V129 HydrophobicContact CG-CB 4.14Å; R123-V129 HydrophobicContact CG-CG1 4.4Å; R123-V129 HydrophobicContact CG-CG2 4.03Å; V129-V286 HydrophobicContact CG1-CG1 3.99Å; V129-V286 HydrophobicContact CG2-CB 4.29Å; V129-V286 HydrophobicContact CG2-CG1 4.11Å; V129-K300 HydrophobicContact CG1-CD 3.98Å; V129-Y312 WeakPolarHBondContact CG1-OH 3.29Å
130	T	98.4	Very high	98.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.4	160.1	177.7	52.8	0	0	0	0	112.2	E151 L161 F163 K300	T130-E151 WeakPolarHBondContact CB-OE2 3.23Å; T130-E151 HydrophobicContact CG2-CB 4.01Å; T130-E151 HydrophobicContact CG2-CG 4.14Å; T130-E151 WeakPolarHBondContact CG2-OE2 3.36Å; T130-E151 PolarHBondContact OG1-OE2 2.91Å; T130-L161 HydrophobicContact CG2-CD1 3.69Å; T130-L161 HydrophobicContact CG2-CD2 3.93Å; T130-L161 HydrophobicContact CG2-CG 3.73Å; T130-F163 HydrophobicContact CG2-CD1 4.38Å; T130-F163 HydrophobicContact CG2-CE1 4.33Å; T130-K300 WeakPolarHBondContact O-CE 3.28Å; T130-K300 PolarHBondContact O-NZ 2.83Å; T130-K300 PolarHBondContact OG1-NZ 2.71Å
131	P	98.7	Very high	98.2	Very high	83 Å²	83	46.6 Å²	46.6	54%	0.539	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-51.7	156.4	168.7	-26.9	34.9	0	0	0	113.5	K133 F163 K300	P131-K133 PolarHBondContact O-N 3.21Å; P131-F163 HydrophobicContact CG-CE1 4.36Å; P131-K300 WeakPolarHBondContact O-CE 3.47Å; P131-K300 PolarHBondContact O-NZ 2.95Å
132	V	98.8	Very high	98.3	Very high	23 Å²	23	45.9 Å²	45.9	14%	0.139	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-70.3	124.9	174.5	174.4	0	0	0	0	109.9	K300 P305 Y312	V132-K300 HydrophobicContact CG2-CG 4.19Å; V132-P305 HydrophobicContact CB-CB 4.46Å; V132-Y312 HydrophobicContact CG2-CD2 4.08Å; V132-Y312 HydrophobicContact CG2-CE2 3.55Å
133	K	98.8	Very high	98.3	Very high	40 Å²	40	44.8 Å²	44.8	17%	0.174	24%	0.242	C	C	.	.			trans	-95.6	-179.3	175.7	-59.1	-178.6	-176.4	174.4	0	111.1	P131 F144 E151 L164 E166 S302 G304	P131-K133 PolarHBondContact O-N 3.21Å; K133-F144 HydrophobicContact CB-CD1 3.7Å; K133-F144 HydrophobicContact CB-CE1 3.48Å; K133-F144 VanDerWaalsContact CB-CE1 3.48Å; K133-F144 HydrophobicContact CD-CD1 3.98Å; K133-F144 HydrophobicContact CD-CE1 3.85Å; K133-F144 HydrophobicContact CG-CD1 4.43Å; K133-F144 HydrophobicContact CG-CE1 4.3Å; K133-E151 IonicContact NZ-OE1 3.15Å; K133-E151 PolarHBondContact NZ-OE1 3.03Å; K133-L164 PolarHBondContact NZ-O 2.71Å; K133-E166 WeakPolarHBondContact CD-OE1 3.28Å; K133-E166 WeakPolarHBondContact CE-OE1 3.4Å; K133-E166 IonicContact NZ-OE1 3.86Å; K133-E166 PolarHBondContact NZ-OE1 3.03Å; K133-E166 IonicContact NZ-OE2 2.83Å; K133-E166 PolarHBondContact NZ-OE2 2.76Å; K133-S302 CarbonylContact O-C 3.15Å; K133-G304 VanDerWaalsContact O-CA 3.31Å; K133-G304 WeakPolarHBondContact O-CA 3.31Å; K133-G304 PolarHBondContact O-N 3.06Å
134	N	98.6	Very high	98.3	Very high	87 Å²	87	40.9 Å²	40.9	47%	0.465	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-135.1	117.9	179.1	-176.8	14.8	0	0	0	111.2	G136 S302	N134-G136 VanDerWaalsContact C-N 3.27Å; N134-G136 PolarHBondContact O-N 3.21Å; N134-G136 PolarHBondContact OD1-N 2.92Å; N134-G136 VanDerWaalsContact OD1-N 3.12Å; N134-S302 CarbonylContact C-O 3.46Å; N134-S302 WeakPolarHBondContact CA-O 3.14Å
135	Q	98.2	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.			trans	-72.7	-16.4	179.2	76.8	-172.1	78.3	0	0	113.5	Y94 C138 F144 Y207 S302 W303	Y94-Q135 PolarHBondContact O-NE2 3.26Å; Q135-C138 PolarHBondContact NE2-O 2.95Å; Q135-F144 HydrophobicContact CB-CD2 3.81Å; Q135-F144 HydrophobicContact CB-CE2 3.37Å; Q135-F144 HydrophobicContact CB-CZ 4.04Å; Q135-Y207 WeakPolarHBondContact O-CE1 3.06Å; Q135-Y207 PolarHBondContact O-OH 2.84Å; Q135-S302 PolarHBondContact N-O 3Å; Q135-S302 PolarHBondContact OE1-OG 3.28Å; Q135-W303 VanDerWaalsContact OE1-CD1 3.25Å; Q135-W303 VanDerWaalsContact OE1-NE1 3.12Å
136	G	97.4	Very high	98.4	Very high	22 Å²	22	27.1 Å²	27.1	23%	0.227	17%	0.166	C	C	.	.			trans	61	-156.7	-174.8	0	0	0	0	0	112.8	Y94 N134 C138	Y94-G136 WeakPolarHBondContact CD1-O 3.27Å; Y94-G136 VanDerWaalsContact CE1-C 3.43Å; Y94-G136 WeakPolarHBondContact CE1-O 3.44Å; N134-G136 VanDerWaalsContact C-N 3.27Å; N134-G136 PolarHBondContact O-N 3.21Å; N134-G136 PolarHBondContact OD1-N 2.92Å; N134-G136 VanDerWaalsContact OD1-N 3.12Å; G136-C138 PolarHBondContact O-N 2.84Å
137	S	97.1	Very high	98.5	Very high	71 Å²	71	25.5 Å²	25.5	50%	0.497	15%	0.149	S	C	.	.	S	Bend	trans	-82.8	56	-177.5	-63.8	0	0	0	0	112.9	K93 Y94	K93-S137 CarbonylContact O-C 3.14Å; K93-S137 WeakPolarHBondContact O-CA 3.4Å; Y94-S137 PolarHBondContact OH-OG 3.18Å; Y94-S137 VanDerWaalsContact OH-OG 3.1Å
138	C	98.4	Very high	98.6	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.02	12%	0.119	C	C	.	.	S	Bend	trans	-142.3	133.8	177.5	167.2	0	0	0	0	109	K93 Q135 G136 S140 C181 G209	K93-C138 PolarHBondContact O-N 3.03Å; K93-C138 VanDerWaalsContact O-N 3.09Å; Q135-C138 PolarHBondContact NE2-O 2.95Å; G136-C138 PolarHBondContact O-N 2.84Å; C138-S140 PolarHBondContact O-N 3.13Å; C138-S140 WeakPolarHBondContact SG-CB 3.09Å; C138-S140 PolarHBondContact SG-OG 3.08Å; C138-C181 HydrophobicContact CB-CB 3.98Å; C138-C181 WeakPolarHBondContact CB-SG 3.21Å; C138-C181 WeakPolarHBondContact SG-CA 3.37Å; C138-C181 WeakPolarHBondContact SG-CB 3.36Å; C138-C181 CovalentContact SG-SG 2.03Å; C138-C181 PolarHBondContact SG-SG 3.25Å; C138-G209 WeakPolarHBondContact CB-O 3.23Å
139	G	98.4	Very high	98.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	-73.4	39	178.4	0	0	0	0	0	114.4	C181	G139-C181 WeakPolarHBondContact CA-O 3.1Å; G139-C181 PolarHBondContact N-O 3.35Å
140	S	98.8	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.			trans	-95.8	17.6	-174.3	55.2	0	0	0	0	114.2	C138 W142 T143 F144 Y207	C138-S140 PolarHBondContact O-N 3.13Å; C138-S140 WeakPolarHBondContact SG-CB 3.09Å; C138-S140 PolarHBondContact SG-OG 3.08Å; S140-W142 PolarHBondContact O-N 3.16Å; S140-T143 WeakPolarHBondContact O-CB 3.34Å; S140-T143 PolarHBondContact O-N 3.11Å; S140-T143 PolarHBondContact O-OG1 3.5Å; S140-F144 WeakPolarHBondContact O-CD2 2.95Å; S140-Y207 PolarHBondContact OG-OH 2.99Å
141	C	98.8	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-50.5	-30.2	176.9	54	0	0	0	0	114.3	W96 T143 F144 S145 H281 A282	W96-C141 PolarHBondContact NE1-SG 3.44Å; C141-T143 VanDerWaalsContact C-N 3.28Å; C141-T143 PolarHBondContact O-N 2.91Å; C141-F144 PolarHBondContact O-N 2.8Å; C141-S145 PolarHBondContact O-N 3.15Å; C141-H281 WeakPolarHBondContact CB-CE1 3.31Å; C141-H281 VanDerWaalsContact CB-ND1 3.27Å; C141-H281 WeakPolarHBondContact CB-ND1 3.41Å; C141-H281 PolarHBondContact SG-ND1 3.42Å; C141-A282 WeakPolarHBondContact CB-O 3.45Å; C141-A282 PolarHBondContact SG-N 3.39Å; C141-A282 VanDerWaalsContact SG-N 3.38Å
142	W	98.9	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-35.1	173.7	67.9	-88.5	0	0	0	113.1	W96 S140 T146 L169 A173 N178 G180 G183 G184 A189 A282	W96-W142 HydrophobicContact CZ2-CB 4.09Å; W96-W142 AromaticContact NE1-CD1 3.96Å; S140-W142 PolarHBondContact O-N 3.16Å; W142-T146 WeakPolarHBondContact O-CB 3.44Å; W142-T146 PolarHBondContact O-N 3.05Å; W142-T146 PolarHBondContact O-OG1 3.4Å; W142-L169 HydrophobicContact CH2-CB 3.89Å; W142-L169 VanDerWaalsContact CH2-O 3.3Å; W142-L169 WeakPolarHBondContact CH2-O 3.5Å; W142-L169 HydrophobicContact CZ3-CB 3.99Å; W142-A173 HydrophobicContact CH2-CB 4.02Å; W142-A173 HydrophobicContact CZ3-CB 4.42Å; W142-N178 HydrophobicContact CH2-CB 3.44Å; W142-N178 VanDerWaalsContact CH2-CB 3.44Å; W142-N178 HydrophobicContact CZ2-CB 3.83Å; W142-N178 HydrophobicContact CZ3-CB 3.85Å; W142-G180 PolarHBondContact NE1-O 3.5Å; W142-G183 VanDerWaalsContact CD1-C 3.48Å; W142-G183 VanDerWaalsContact NE1-C 3.34Å; W142-G183 PolarHBondContact NE1-O 2.99Å; W142-G184 WeakPolarHBondContact CB-O 3Å; W142-G184 VanDerWaalsContact CD1-N 3.34Å; W142-A189 HydrophobicContact CE3-CB 3.89Å; W142-A189 HydrophobicContact CZ3-CB 3.62Å; W142-A282 HydrophobicContact CB-CB 4.21Å
143	T	98.9	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.4	-42.8	176.8	70.9	0	0	0	0	110.9	S140 C141 S145 T146 T147 E166 L169 V170	S140-T143 WeakPolarHBondContact O-CB 3.34Å; S140-T143 PolarHBondContact O-N 3.11Å; S140-T143 PolarHBondContact O-OG1 3.5Å; C141-T143 VanDerWaalsContact C-N 3.28Å; C141-T143 PolarHBondContact O-N 2.91Å; T143-S145 PolarHBondContact O-N 2.94Å; T143-T146 WeakPolarHBondContact O-CB 3.32Å; T143-T146 PolarHBondContact O-N 2.88Å; T143-T146 VanDerWaalsContact O-N 3.16Å; T143-T147 WeakPolarHBondContact O-CG2 3.4Å; T143-T147 PolarHBondContact O-N 3.28Å; T143-T147 PolarHBondContact O-OG1 2.83Å; T143-E166 WeakPolarHBondContact OG1-CB 3.24Å; T143-L169 HydrophobicContact CG2-CB 3.55Å; T143-L169 HydrophobicContact CG2-CD1 4.36Å; T143-V170 HydrophobicContact CG2-CG2 3.81Å
144	F	98.9	Very high	98.7	Very high	19 Å²	19	10.8 Å²	10.8	8%	0.083	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-35.7	176.3	-69.6	-87.6	0	0	0	113	K133 Q135 S140 C141 T147 G148 E166 Y207	K133-F144 HydrophobicContact CB-CD1 3.7Å; K133-F144 HydrophobicContact CB-CE1 3.48Å; K133-F144 VanDerWaalsContact CB-CE1 3.48Å; K133-F144 HydrophobicContact CD-CD1 3.98Å; K133-F144 HydrophobicContact CD-CE1 3.85Å; K133-F144 HydrophobicContact CG-CD1 4.43Å; K133-F144 HydrophobicContact CG-CE1 4.3Å; Q135-F144 HydrophobicContact CB-CD2 3.81Å; Q135-F144 HydrophobicContact CB-CE2 3.37Å; Q135-F144 HydrophobicContact CB-CZ 4.04Å; S140-F144 WeakPolarHBondContact O-CD2 2.95Å; C141-F144 PolarHBondContact O-N 2.8Å; F144-T147 WeakPolarHBondContact CA-OG1 3.26Å; F144-T147 PolarHBondContact O-OG1 2.97Å; F144-G148 PolarHBondContact O-N 3.35Å; F144-E166 HydrophobicContact CB-CG 4.48Å; F144-E166 HydrophobicContact CD1-CG 3.62Å; F144-E166 HydrophobicContact CD2-CG 4.02Å; F144-E166 HydrophobicContact CE1-CB 4.36Å; F144-E166 HydrophobicContact CE1-CG 3.65Å; F144-E166 HydrophobicContact CE2-CB 4.26Å; F144-E166 HydrophobicContact CE2-CG 4.04Å; F144-E166 HydrophobicContact CG-CG 3.81Å; F144-E166 HydrophobicContact CZ-CB 4.14Å; F144-E166 HydrophobicContact CZ-CG 3.87Å; F144-Y207 HydrophobicContact CE2-CD2 4.49Å; F144-Y207 HydrophobicContact CE2-CE1 4.25Å; F144-Y207 AromaticContact CE2-CE2 3.77Å; F144-Y207 HydrophobicContact CE2-CE2 3.77Å; F144-Y207 AromaticContact CE2-CZ 3.63Å; F144-Y207 HydrophobicContact CZ-CD1 4.13Å; F144-Y207 HydrophobicContact CZ-CD2 4.07Å; F144-Y207 AromaticContact CZ-CE1 3.82Å; F144-Y207 HydrophobicContact CZ-CE1 3.82Å; F144-Y207 AromaticContact CZ-CE2 3.75Å; F144-Y207 HydrophobicContact CZ-CE2 3.75Å; F144-Y207 HydrophobicContact CZ-CG 4.24Å; F144-Y207 AromaticContact CZ-CZ 3.61Å
145	S	98.9	Very high	98.7	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-65.3	-42.9	171.5	-179.9	0	0	0	0	110.9	C141 T143 A149 S250 V283	C141-S145 PolarHBondContact O-N 3.15Å; T143-S145 PolarHBondContact O-N 2.94Å; S145-A149 PolarHBondContact O-N 3.37Å; S145-A149 VanDerWaalsContact O-N 3.11Å; S145-S250 PolarHBondContact O-OG 2.57Å; S145-S250 WeakPolarHBondContact OG-CB 3.31Å; S145-S250 PolarHBondContact OG-OG 3.03Å; S145-V283 PolarHBondContact OG-O 2.96Å
146	T	98.9	Very high	98.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.5	-55.5	178.3	-55.5	0	0	0	0	111.6	W142 T143 G148 A149 L150 L169 P186 A189 F190 I193	W142-T146 WeakPolarHBondContact O-CB 3.44Å; W142-T146 PolarHBondContact O-N 3.05Å; W142-T146 PolarHBondContact O-OG1 3.4Å; T143-T146 WeakPolarHBondContact O-CB 3.32Å; T143-T146 PolarHBondContact O-N 2.88Å; T143-T146 VanDerWaalsContact O-N 3.16Å; T146-G148 VanDerWaalsContact C-N 3.34Å; T146-G148 PolarHBondContact O-N 2.89Å; T146-A149 PolarHBondContact O-N 3.28Å; T146-L150 PolarHBondContact O-N 2.81Å; T146-L169 HydrophobicContact CG2-CD1 3.71Å; T146-P186 WeakPolarHBondContact OG1-CA 3.33Å; T146-A189 HydrophobicContact CG2-CB 3.56Å; T146-A189 WeakPolarHBondContact OG1-CB 3.4Å; T146-F190 HydrophobicContact CG2-CD1 3.55Å; T146-F190 HydrophobicContact CG2-CE1 3.4Å; T146-F190 HydrophobicContact CG2-CG 4.46Å; T146-F190 HydrophobicContact CG2-CZ 4.18Å; T146-F190 WeakPolarHBondContact O-CE1 3.47Å; T146-I193 HydrophobicContact CG2-CD1 3.88Å
147	T	98.9	Very high	98.7	Very high	1 Å²	1	11 Å²	11	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-60.6	-45.5	179.6	52.6	0	0	0	0	110.1	T143 F144 A149 L150 E151 L164 E166 L169 I199	T143-T147 WeakPolarHBondContact O-CG2 3.4Å; T143-T147 PolarHBondContact O-N 3.28Å; T143-T147 PolarHBondContact O-OG1 2.83Å; F144-T147 WeakPolarHBondContact CA-OG1 3.26Å; F144-T147 PolarHBondContact O-OG1 2.97Å; T147-A149 VanDerWaalsContact C-N 3.34Å; T147-A149 PolarHBondContact O-N 2.89Å; T147-L150 PolarHBondContact O-N 2.8Å; T147-E151 WeakPolarHBondContact O-CB 3.37Å; T147-E151 WeakPolarHBondContact O-CG 3.22Å; T147-E151 PolarHBondContact O-N 2.7Å; T147-L164 HydrophobicContact CG2-CB 3.82Å; T147-E166 WeakPolarHBondContact CB-OE1 3.44Å; T147-E166 HydrophobicContact CG2-CG 3.87Å; T147-E166 PolarHBondContact OG1-OE1 2.85Å; T147-L169 HydrophobicContact CG2-CD1 4.09Å; T147-I199 HydrophobicContact CG2-CD1 4.24Å
148	G	98.9	Very high	98.8	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-56.5	-43.7	178.2	0	0	0	0	0	113.5	F144 T146 S152	F144-G148 PolarHBondContact O-N 3.35Å; T146-G148 VanDerWaalsContact C-N 3.34Å; T146-G148 PolarHBondContact O-N 2.89Å; G148-S152 WeakPolarHBondContact O-CB 3.44Å; G148-S152 PolarHBondContact O-N 3.24Å; G148-S152 VanDerWaalsContact O-N 3.12Å; G148-S152 PolarHBondContact O-OG 3.43Å
149	A	98.9	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-46.6	177.2	0	0	0	0	0	111.7	S145 T146 T147 S152 A153 F190 S250 L284 P331	S145-A149 PolarHBondContact O-N 3.37Å; S145-A149 VanDerWaalsContact O-N 3.11Å; T146-A149 PolarHBondContact O-N 3.28Å; T147-A149 VanDerWaalsContact C-N 3.34Å; T147-A149 PolarHBondContact O-N 2.89Å; A149-S152 PolarHBondContact O-N 2.91Å; A149-A153 WeakPolarHBondContact O-CB 3.45Å; A149-A153 PolarHBondContact O-N 3.05Å; A149-F190 HydrophobicContact CB-CE1 4.2Å; A149-F190 HydrophobicContact CB-CZ 3.76Å; A149-S250 WeakPolarHBondContact CB-OG 3.49Å; A149-L284 HydrophobicContact CB-CD1 3.72Å; A149-P331 HydrophobicContact CB-CG 4.36Å
150	L	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69	-40.5	-179.4	-176.1	57.8	0	0	0	112.7	T146 T147 S152 A153 V154 L164 I193 I199 A223 V225 P331 P333	T146-L150 PolarHBondContact O-N 2.81Å; T147-L150 PolarHBondContact O-N 2.8Å; L150-S152 VanDerWaalsContact C-N 3.28Å; L150-S152 PolarHBondContact O-N 3Å; L150-A153 PolarHBondContact O-N 3.21Å; L150-V154 HydrophobicContact CD1-CG2 4.14Å; L150-V154 HydrophobicContact CG-CG2 4.47Å; L150-V154 WeakPolarHBondContact O-CB 3.47Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 2.92Å; L150-V154 PolarHBondContact O-N 2.94Å; L150-L164 HydrophobicContact CB-CD1 3.92Å; L150-L164 HydrophobicContact CD2-CD1 3.74Å; L150-L164 HydrophobicContact CG-CD1 3.74Å; L150-I193 HydrophobicContact CD2-CD1 3.9Å; L150-I193 HydrophobicContact CD2-CG2 4.22Å; L150-I199 HydrophobicContact CD2-CG2 3.88Å; L150-A223 HydrophobicContact CD2-CB 4.18Å; L150-A223 HydrophobicContact CG-CB 4.39Å; L150-V225 HydrophobicContact CD1-CG2 3.92Å; L150-V225 HydrophobicContact CD2-CG2 3.9Å; L150-P331 HydrophobicContact CB-CG 4.05Å; L150-P331 HydrophobicContact CD1-CB 4.17Å; L150-P331 HydrophobicContact CD1-CG 4Å; L150-P333 HydrophobicContact CD1-CB 4.15Å
151	E	98.9	Very high	98.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-54.7	-47.4	172.1	-73.8	170.2	166.8	0	0	110.2	T130 K133 T147 A155 P162 F163 L164	T130-E151 WeakPolarHBondContact CB-OE2 3.23Å; T130-E151 HydrophobicContact CG2-CB 4.01Å; T130-E151 HydrophobicContact CG2-CG 4.14Å; T130-E151 WeakPolarHBondContact CG2-OE2 3.36Å; T130-E151 PolarHBondContact OG1-OE2 2.91Å; K133-E151 IonicContact NZ-OE1 3.15Å; K133-E151 PolarHBondContact NZ-OE1 3.03Å; T147-E151 WeakPolarHBondContact O-CB 3.37Å; T147-E151 WeakPolarHBondContact O-CG 3.22Å; T147-E151 PolarHBondContact O-N 2.7Å; E151-A155 WeakPolarHBondContact O-CB 3.47Å; E151-A155 PolarHBondContact O-N 3.11Å; E151-P162 HydrophobicContact CG-CG 4.38Å; E151-P162 WeakPolarHBondContact CG-O 3.23Å; E151-F163 WeakPolarHBondContact OE1-CA 3.24Å; E151-L164 HydrophobicContact CG-CB 4.18Å; E151-L164 HydrophobicContact CG-CD1 3.84Å; E151-L164 HydrophobicContact CG-CG 3.64Å; E151-L164 PolarHBondContact OE1-N 3.36Å
152	S	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-45.5	179.1	-52.8	0	0	0	0	111.7	F128 G148 A149 L150 V154 A155 I156	F128-S152 WeakPolarHBondContact O-CA 3.42Å; F128-S152 WeakPolarHBondContact O-CB 3.4Å; F128-S152 PolarHBondContact O-OG 2.66Å; F128-S152 VanDerWaalsContact O-OG 3.04Å; G148-S152 WeakPolarHBondContact O-CB 3.44Å; G148-S152 PolarHBondContact O-N 3.24Å; G148-S152 VanDerWaalsContact O-N 3.12Å; G148-S152 PolarHBondContact O-OG 3.43Å; A149-S152 PolarHBondContact O-N 2.91Å; L150-S152 VanDerWaalsContact C-N 3.28Å; L150-S152 PolarHBondContact O-N 3Å; S152-V154 PolarHBondContact O-N 2.9Å; S152-A155 PolarHBondContact O-N 2.82Å; S152-I156 WeakPolarHBondContact O-CB 3.37Å; S152-I156 WeakPolarHBondContact O-CD1 3.39Å; S152-I156 WeakPolarHBondContact O-CG1 3.19Å; S152-I156 PolarHBondContact O-N 3.47Å
153	A	98.9	Very high	98.6	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-42.8	-179.9	0	0	0	0	0	112.1	A149 L150 I156 A157 N247 P331 P333	A149-A153 WeakPolarHBondContact O-CB 3.45Å; A149-A153 PolarHBondContact O-N 3.05Å; L150-A153 PolarHBondContact O-N 3.21Å; A153-I156 PolarHBondContact O-N 3.46Å; A153-A157 WeakPolarHBondContact O-CB 3.41Å; A153-A157 PolarHBondContact O-N 2.87Å; A153-N247 HydrophobicContact CB-CB 4.5Å; A153-P331 HydrophobicContact CB-CG 4.42Å; A153-P333 HydrophobicContact CB-CB 4.37Å; A153-P333 HydrophobicContact CB-CG 3.95Å
154	V	98.8	Very high	98.6	Very high	13 Å²	13	27.9 Å²	27.9	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-42.5	174.5	172.6	0	0	0	0	111	L150 S152 A157 T158 P162 A223 P333 V335	L150-V154 HydrophobicContact CD1-CG2 4.14Å; L150-V154 HydrophobicContact CG-CG2 4.47Å; L150-V154 WeakPolarHBondContact O-CB 3.47Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 2.92Å; L150-V154 PolarHBondContact O-N 2.94Å; S152-V154 PolarHBondContact O-N 2.9Å; V154-A157 PolarHBondContact O-N 2.95Å; V154-T158 HydrophobicContact CG1-CG2 4.44Å; V154-T158 WeakPolarHBondContact O-CB 3.29Å; V154-T158 PolarHBondContact O-N 3.29Å; V154-T158 PolarHBondContact O-OG1 3.19Å; V154-P162 HydrophobicContact CB-CG 4.17Å; V154-P162 HydrophobicContact CG1-CG 4.03Å; V154-A223 HydrophobicContact CG2-CB 4.22Å; V154-P333 HydrophobicContact CG2-CB 3.85Å; V154-V335 HydrophobicContact CG1-CG1 4.43Å; V154-V335 HydrophobicContact CG2-CG1 4.3Å
155	A	98.8	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-41.4	178.3	0	0	0	0	0	112.5	F128 E151 S152 G159 K160 L161	F128-A155 HydrophobicContact CD1-CB 3.96Å; F128-A155 WeakPolarHBondContact CE1-O 3.41Å; E151-A155 WeakPolarHBondContact O-CB 3.47Å; E151-A155 PolarHBondContact O-N 3.11Å; S152-A155 PolarHBondContact O-N 2.82Å; A155-G159 WeakPolarHBondContact O-CA 3.24Å; A155-G159 PolarHBondContact O-N 2.98Å; A155-K160 VanDerWaalsContact CA-O 3.23Å; A155-K160 WeakPolarHBondContact CA-O 3.27Å; A155-K160 PolarHBondContact N-O 3.17Å; A155-L161 HydrophobicContact CB-CB 4.18Å; A155-L161 HydrophobicContact CB-CD1 3.58Å
156	I	98.7	Very high	98.6	Very high	53 Å²	53	27 Å²	27	27%	0.272	16%	0.16	S	C	.	.	H	α-helix	trans	-63.6	-42.7	176.2	-68.2	161.9	0	0	0	110.6	W122 F128 S152 A153 N247	W122-I156 HydrophobicContact CD2-CD1 4.03Å; W122-I156 HydrophobicContact CE3-CD1 3.63Å; W122-I156 HydrophobicContact CE3-CG1 3.93Å; W122-I156 HydrophobicContact CH2-CD1 3.62Å; W122-I156 HydrophobicContact CH2-CG1 4.1Å; W122-I156 HydrophobicContact CH2-CG2 4.26Å; W122-I156 HydrophobicContact CZ2-CD1 4.02Å; W122-I156 HydrophobicContact CZ3-CD1 3.42Å; W122-I156 VanDerWaalsContact CZ3-CD1 3.42Å; W122-I156 HydrophobicContact CZ3-CG1 3.55Å; W122-I156 HydrophobicContact CZ3-CG2 4.28Å; F128-I156 HydrophobicContact CB-CG1 4.11Å; F128-I156 HydrophobicContact CD1-CB 4.43Å; F128-I156 HydrophobicContact CD1-CG1 3.74Å; F128-I156 HydrophobicContact CD2-CG1 4.39Å; F128-I156 HydrophobicContact CE1-CG1 4.23Å; F128-I156 HydrophobicContact CG-CG1 3.84Å; S152-I156 WeakPolarHBondContact O-CB 3.37Å; S152-I156 WeakPolarHBondContact O-CD1 3.39Å; S152-I156 WeakPolarHBondContact O-CG1 3.19Å; S152-I156 PolarHBondContact O-N 3.47Å; A153-I156 PolarHBondContact O-N 3.46Å; I156-N247 HydrophobicContact CD1-CB 3.84Å
157	A	98.5	Very high	98.6	Very high	59 Å²	59	27 Å²	27	49%	0.488	16%	0.16	S	C	.	.	H	α-helix	trans	-76.6	-31	-176.7	0	0	0	0	0	114	A153 V154 P333 V335	A153-A157 WeakPolarHBondContact O-CB 3.41Å; A153-A157 PolarHBondContact O-N 2.87Å; V154-A157 PolarHBondContact O-N 2.95Å; A157-P333 HydrophobicContact CB-CG 4.25Å; A157-V335 HydrophobicContact CB-CG1 4.44Å; A157-V335 HydrophobicContact CB-CG2 3.94Å
158	T	98.2	Very high	98.6	Very high	57 Å²	57	27 Å²	27	35%	0.35	16%	0.16	S	C	.	.	H	α-helix	trans	-122.1	-13.1	-168.8	70	0	0	0	0	115	V154 K160 V335	V154-T158 HydrophobicContact CG1-CG2 4.44Å; V154-T158 WeakPolarHBondContact O-CB 3.29Å; V154-T158 PolarHBondContact O-N 3.29Å; V154-T158 PolarHBondContact O-OG1 3.19Å; T158-K160 PolarHBondContact O-N 2.64Å; T158-K160 PolarHBondContact OG1-N 2.8Å; T158-V335 HydrophobicContact CG2-CB 3.56Å; T158-V335 HydrophobicContact CG2-CG1 3.59Å; T158-V335 HydrophobicContact CG2-CG2 4.04Å
159	G	97.8	Very high	98.6	Very high	65 Å²	65	26.9 Å²	26.9	67%	0.67	16%	0.159	S	C	*	.	S	Bend	trans	74.2	1	-170.1	0	0	0	0	0	114.8	A155	A155-G159 WeakPolarHBondContact O-CA 3.24Å; A155-G159 PolarHBondContact O-N 2.98Å
160	K	96.9	Very high	98.6	Very high	159 Å²	159	26.9 Å²	26.9	69%	0.691	16%	0.159	S	C	*	.			trans	-106.1	124.2	178	-63.7	179.6	-177.5	174.9	0	110.2	A155 T158 P162	A155-K160 VanDerWaalsContact CA-O 3.23Å; A155-K160 WeakPolarHBondContact CA-O 3.27Å; A155-K160 PolarHBondContact N-O 3.17Å; T158-K160 PolarHBondContact O-N 2.64Å; T158-K160 PolarHBondContact OG1-N 2.8Å; K160-P162 WeakPolarHBondContact O-CD 3.42Å
161	L	97.9	Very high	98.6	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.157	16%	0.161	C	C	.	.			trans	-94.9	102	178.8	-173.4	65.8	0	0	0	110.4	N127 T130 A155	N127-L161 WeakPolarHBondContact OD1-CD2 3.49Å; T130-L161 HydrophobicContact CG2-CD1 3.69Å; T130-L161 HydrophobicContact CG2-CD2 3.93Å; T130-L161 HydrophobicContact CG2-CG 3.73Å; A155-L161 HydrophobicContact CB-CB 4.18Å; A155-L161 HydrophobicContact CB-CD1 3.58Å
162	P	98.1	Very high	98.6	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	16%	0.164	C	C	.	.			trans	-78	164.4	176.8	34.8	-36.8	0	0	0	111.4	E151 V154 K160 L164 I222	E151-P162 HydrophobicContact CG-CG 4.38Å; E151-P162 WeakPolarHBondContact CG-O 3.23Å; V154-P162 HydrophobicContact CB-CG 4.17Å; V154-P162 HydrophobicContact CG1-CG 4.03Å; K160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-L164 HydrophobicContact CB-CD2 3.91Å; P162-L164 HydrophobicContact CB-CG 4.47Å; P162-L164 HydrophobicContact CG-CD2 4.13Å; P162-L164 HydrophobicContact CG-CG 4.35Å; P162-I222 HydrophobicContact CB-CD1 4.24Å
163	F	98.5	Very high	98.6	Very high	100 Å²	100	27.8 Å²	27.8	44%	0.439	17%	0.165	S	C	.	.			trans	-116.4	108	167.6	-67.9	-95.5	0	0	0	108	T130 P131 E151 G201 E202	T130-F163 HydrophobicContact CG2-CD1 4.38Å; T130-F163 HydrophobicContact CG2-CE1 4.33Å; P131-F163 HydrophobicContact CG-CE1 4.36Å; E151-F163 WeakPolarHBondContact OE1-CA 3.24Å; F163-G201 CarbonylContact O-C 3.54Å; F163-G201 VanDerWaalsContact O-CA 3.24Å; F163-G201 WeakPolarHBondContact O-CA 3.49Å; F163-E202 HydrophobicContact CB-CB 4.31Å; F163-E202 PolarHBondContact O-N 3.21Å
164	L	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-94.7	151.4	-171.5	-56	-179.2	0	0	0	111.5	K133 T147 L150 E151 P162 E166 I199 I222 A223	K133-L164 PolarHBondContact NZ-O 2.71Å; T147-L164 HydrophobicContact CG2-CB 3.82Å; L150-L164 HydrophobicContact CB-CD1 3.92Å; L150-L164 HydrophobicContact CD2-CD1 3.74Å; L150-L164 HydrophobicContact CG-CD1 3.74Å; E151-L164 HydrophobicContact CG-CB 4.18Å; E151-L164 HydrophobicContact CG-CD1 3.84Å; E151-L164 HydrophobicContact CG-CG 3.64Å; E151-L164 PolarHBondContact OE1-N 3.36Å; P162-L164 HydrophobicContact CB-CD2 3.91Å; P162-L164 HydrophobicContact CB-CG 4.47Å; P162-L164 HydrophobicContact CG-CD2 4.13Å; P162-L164 HydrophobicContact CG-CG 4.35Å; L164-E166 PolarHBondContact O-N 3.5Å; L164-I199 HydrophobicContact CB-CD1 4.36Å; L164-I199 HydrophobicContact CD1-CG2 3.98Å; L164-I199 HydrophobicContact CD2-CG2 4.16Å; L164-I199 HydrophobicContact CG-CG2 4.46Å; L164-I222 HydrophobicContact CD2-CD1 3.91Å; L164-I222 HydrophobicContact CD2-CG1 3.77Å; L164-A223 HydrophobicContact CD1-CB 3.93Å; L164-A223 HydrophobicContact CD2-CB 3.59Å; L164-A223 HydrophobicContact CG-CB 4.42Å
165	A	98.9	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.			trans	-80.7	100.5	-175.3	0	0	0	0	0	112.5	Q167 Q168 M200 Y205	A165-Q167 PolarHBondContact O-N 2.57Å; A165-Q168 HydrophobicContact CB-CB 4.18Å; A165-Q168 PolarHBondContact O-N 2.66Å; A165-M200 WeakPolarHBondContact CB-O 3.36Å; A165-M200 PolarHBondContact N-O 2.03Å; A165-Y205 HydrophobicContact CB-CG 4.36Å; A165-Y205 WeakPolarHBondContact CB-O 3.44Å
166	E	98.9	Very high	98.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-34.7	170.6	-75.3	84.5	-165.9	0	0	112.3	K133 T143 F144 T147 L164 Q168 L169 V170 Y207	K133-E166 WeakPolarHBondContact CD-OE1 3.28Å; K133-E166 WeakPolarHBondContact CE-OE1 3.4Å; K133-E166 IonicContact NZ-OE1 3.86Å; K133-E166 PolarHBondContact NZ-OE1 3.03Å; K133-E166 IonicContact NZ-OE2 2.83Å; K133-E166 PolarHBondContact NZ-OE2 2.76Å; T143-E166 WeakPolarHBondContact OG1-CB 3.24Å; F144-E166 HydrophobicContact CB-CG 4.48Å; F144-E166 HydrophobicContact CD1-CG 3.62Å; F144-E166 HydrophobicContact CD2-CG 4.02Å; F144-E166 HydrophobicContact CE1-CB 4.36Å; F144-E166 HydrophobicContact CE1-CG 3.65Å; F144-E166 HydrophobicContact CE2-CB 4.26Å; F144-E166 HydrophobicContact CE2-CG 4.04Å; F144-E166 HydrophobicContact CG-CG 3.81Å; F144-E166 HydrophobicContact CZ-CB 4.14Å; F144-E166 HydrophobicContact CZ-CG 3.87Å; T147-E166 WeakPolarHBondContact CB-OE1 3.44Å; T147-E166 HydrophobicContact CG2-CG 3.87Å; T147-E166 PolarHBondContact OG1-OE1 2.85Å; L164-E166 PolarHBondContact O-N 3.5Å; E166-Q168 VanDerWaalsContact C-N 3.3Å; E166-Q168 PolarHBondContact O-N 3.16Å; E166-L169 WeakPolarHBondContact O-CB 3.32Å; E166-L169 PolarHBondContact O-N 3.05Å; E166-L169 VanDerWaalsContact O-N 3.12Å; E166-V170 PolarHBondContact O-N 3.26Å; E166-V170 VanDerWaalsContact O-N 3.16Å; E166-Y207 HydrophobicContact CB-CD2 3.73Å; E166-Y207 HydrophobicContact CB-CE2 4.04Å
167	Q	98.9	Very high	98.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-32.3	-177.4	-164.1	62.3	49.7	0	0	113	A165 L169 V170 D171 Y205 Y207 Q210	A165-Q167 PolarHBondContact O-N 2.57Å; Q167-L169 PolarHBondContact O-N 2.98Å; Q167-V170 PolarHBondContact O-N 3.09Å; Q167-D171 PolarHBondContact NE2-OD1 3.47Å; Q167-D171 PolarHBondContact NE2-OD2 3.07Å; Q167-D171 WeakPolarHBondContact O-CB 3.48Å; Q167-D171 VanDerWaalsContact O-CG 3.3Å; Q167-D171 PolarHBondContact O-N 2.83Å; Q167-Y205 HydrophobicContact CB-CD1 3.73Å; Q167-Y205 HydrophobicContact CB-CE1 3.82Å; Q167-Y205 HydrophobicContact CG-CD1 3.85Å; Q167-Y205 HydrophobicContact CG-CE1 3.49Å; Q167-Y205 VanDerWaalsContact CG-CE1 3.49Å; Q167-Y207 HydrophobicContact CB-CD2 4.3Å; Q167-Q210 PolarHBondContact NE2-O 3.03Å
168	Q	98.9	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-40.2	174.6	-177	-175.6	-38.6	0	0	110.6	A165 E166 D171 C172 Y192 N196 G198 I199 Y205 Y216	A165-Q168 HydrophobicContact CB-CB 4.18Å; A165-Q168 PolarHBondContact O-N 2.66Å; E166-Q168 VanDerWaalsContact C-N 3.3Å; E166-Q168 PolarHBondContact O-N 3.16Å; Q168-D171 PolarHBondContact O-N 3.46Å; Q168-C172 HydrophobicContact CG-CB 4.4Å; Q168-C172 WeakPolarHBondContact O-CB 3.24Å; Q168-C172 PolarHBondContact O-N 2.7Å; Q168-C172 PolarHBondContact O-SG 3.12Å; Q168-C172 VanDerWaalsContact O-SG 3.41Å; Q168-Y192 PolarHBondContact NE2-OH 2.82Å; Q168-N196 PolarHBondContact NE2-ND2 2.91Å; Q168-G198 PolarHBondContact NE2-O 3.16Å; Q168-I199 HydrophobicContact CB-CG1 4.49Å; Q168-Y205 HydrophobicContact CB-CD2 3.73Å; Q168-Y205 HydrophobicContact CB-CE2 3.86Å; Q168-Y205 HydrophobicContact CB-CG 4.34Å; Q168-Y205 HydrophobicContact CG-CD2 4.16Å; Q168-Y205 HydrophobicContact CG-CE2 4.07Å; Q168-Y216 HydrophobicContact CG-CD2 4.49Å; Q168-Y216 VanDerWaalsContact NE2-CD2 3.31Å
169	L	98.9	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-42.7	178.4	-60	176.2	0	0	0	111	W142 T143 T146 T147 E166 Q167 D171 A173 A189 Y192 I193 I199	W142-L169 HydrophobicContact CH2-CB 3.89Å; W142-L169 VanDerWaalsContact CH2-O 3.3Å; W142-L169 WeakPolarHBondContact CH2-O 3.5Å; W142-L169 HydrophobicContact CZ3-CB 3.99Å; T143-L169 HydrophobicContact CG2-CB 3.55Å; T143-L169 HydrophobicContact CG2-CD1 4.36Å; T146-L169 HydrophobicContact CG2-CD1 3.71Å; T147-L169 HydrophobicContact CG2-CD1 4.09Å; E166-L169 WeakPolarHBondContact O-CB 3.32Å; E166-L169 PolarHBondContact O-N 3.05Å; E166-L169 VanDerWaalsContact O-N 3.12Å; Q167-L169 PolarHBondContact O-N 2.98Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 3.2Å; L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.16Å; L169-A173 PolarHBondContact O-N 3.33Å; L169-A189 HydrophobicContact CD2-CB 4.46Å; L169-Y192 HydrophobicContact CD2-CD1 3.53Å; L169-Y192 HydrophobicContact CD2-CE1 3.71Å; L169-I193 HydrophobicContact CD2-CD1 4.09Å; L169-I193 HydrophobicContact CD2-CG1 3.93Å; L169-I199 HydrophobicContact CD1-CD1 4.12Å; L169-I199 HydrophobicContact CD2-CD1 4.02Å; L169-I199 HydrophobicContact CG-CD1 3.91Å
170	V	98.9	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-47.3	174.5	176	0	0	0	0	111	T143 E166 Q167 Q174 G180 Y207	T143-V170 HydrophobicContact CG2-CG2 3.81Å; E166-V170 PolarHBondContact O-N 3.26Å; E166-V170 VanDerWaalsContact O-N 3.16Å; Q167-V170 PolarHBondContact O-N 3.09Å; V170-Q174 PolarHBondContact O-NE2 2.86Å; V170-G180 WeakPolarHBondContact O-CA 3.15Å; V170-Y207 HydrophobicContact CG2-CE2 4.4Å
171	D	98.9	Very high	98.6	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-87.5	-25.3	-169.4	-64.8	-9.5	0	0	0	113.9	Q167 Q168 L169 Q174 Y205 G212	Q167-D171 PolarHBondContact NE2-OD1 3.47Å; Q167-D171 PolarHBondContact NE2-OD2 3.07Å; Q167-D171 WeakPolarHBondContact O-CB 3.48Å; Q167-D171 VanDerWaalsContact O-CG 3.3Å; Q167-D171 PolarHBondContact O-N 2.83Å; Q168-D171 PolarHBondContact O-N 3.46Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 3.2Å; D171-Q174 PolarHBondContact O-NE2 3Å; D171-Q174 PolarHBondContact O-OE1 3.44Å; D171-Y205 WeakPolarHBondContact CB-OH 3.35Å; D171-Y205 VanDerWaalsContact CG-OH 3.32Å; D171-Y205 WeakPolarHBondContact OD2-CE1 3.17Å; D171-Y205 PolarHBondContact OD2-OH 3.48Å; D171-G212 WeakPolarHBondContact CB-O 3.34Å; D171-G212 PolarHBondContact OD1-N 3.32Å
172	C	98.9	Very high	98.6	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-122.1	-12.6	-165.5	-55.3	0	0	0	0	116.5	Q168 Q174 Y192 C214	Q168-C172 HydrophobicContact CG-CB 4.4Å; Q168-C172 WeakPolarHBondContact O-CB 3.24Å; Q168-C172 PolarHBondContact O-N 2.7Å; Q168-C172 PolarHBondContact O-SG 3.12Å; Q168-C172 VanDerWaalsContact O-SG 3.41Å; C172-Q174 VanDerWaalsContact C-N 3.34Å; C172-Q174 PolarHBondContact O-N 2.99Å; C172-Q174 PolarHBondContact O-OE1 3.04Å; C172-Y192 HydrophobicContact CB-CE2 4.06Å; C172-Y192 WeakPolarHBondContact CB-OH 3.28Å; C172-Y192 WeakPolarHBondContact O-CE2 3.34Å; C172-C214 HydrophobicContact CB-CB 3.93Å; C172-C214 WeakPolarHBondContact CB-SG 3.47Å; C172-C214 WeakPolarHBondContact SG-CA 3.31Å; C172-C214 WeakPolarHBondContact SG-CB 3.43Å; C172-C214 CovalentContact SG-SG 2.04Å; C172-C214 PolarHBondContact SG-SG 3.43Å
173	A	98.7	Very high	98.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.166	C	C	.	.			trans	-90.4	14	-167.8	0	0	0	0	0	115	W142 L169 N175 F176 N178 Y192	W142-A173 HydrophobicContact CH2-CB 4.02Å; W142-A173 HydrophobicContact CZ3-CB 4.42Å; L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.16Å; L169-A173 PolarHBondContact O-N 3.33Å; A173-N175 VanDerWaalsContact C-N 3.31Å; A173-N175 PolarHBondContact O-N 3.46Å; A173-F176 PolarHBondContact O-N 3.33Å; A173-F176 VanDerWaalsContact O-N 3.12Å; A173-N178 HydrophobicContact CB-CB 4.18Å; A173-N178 PolarHBondContact O-ND2 3.2Å; A173-N178 VanDerWaalsContact O-ND2 3.15Å; A173-Y192 HydrophobicContact CB-CD1 3.83Å; A173-Y192 HydrophobicContact CB-CD2 4.09Å; A173-Y192 HydrophobicContact CB-CE1 4.36Å; A173-Y192 HydrophobicContact CB-CG 3.69Å
174	Q	98.5	Very high	98.6	Very high	85 Å²	85	28.8 Å²	28.8	40%	0.397	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-67.6	-29	-170.2	-60.1	80.5	2.4	0	0	113.4	V170 D171 C172 F176 N177 N178	V170-Q174 PolarHBondContact O-NE2 2.86Å; D171-Q174 PolarHBondContact O-NE2 3Å; D171-Q174 PolarHBondContact O-OE1 3.44Å; C172-Q174 VanDerWaalsContact C-N 3.34Å; C172-Q174 PolarHBondContact O-N 2.99Å; C172-Q174 PolarHBondContact O-OE1 3.04Å; Q174-F176 PolarHBondContact O-N 2.75Å; Q174-N177 PolarHBondContact O-N 3.48Å; Q174-N178 VanDerWaalsContact CA-O 3.31Å; Q174-N178 WeakPolarHBondContact CA-O 3.49Å
175	N	98.2	Very high	98.6	Very high	153 Å²	153	28.9 Å²	28.9	82%	0.818	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-63.6	-8.6	175.1	-69.9	-21.2	0	0	0	113.9	A173	A173-N175 VanDerWaalsContact C-N 3.31Å; A173-N175 PolarHBondContact O-N 3.46Å
176	F	98.1	Very high	98.6	Very high	52 Å²	52	29 Å²	29	23%	0.228	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-109.6	20.7	177.6	-70.7	-97.2	0	0	0	112.6	A173 Q174 Q188 E191 Y192 Y195	A173-F176 PolarHBondContact O-N 3.33Å; A173-F176 VanDerWaalsContact O-N 3.12Å; Q174-F176 PolarHBondContact O-N 2.75Å; F176-Q188 HydrophobicContact CB-CB 4.45Å; F176-Q188 WeakPolarHBondContact O-CB 3.48Å; F176-Q188 WeakPolarHBondContact O-CG 3.4Å; F176-E191 HydrophobicContact CD1-CB 3.77Å; F176-E191 HydrophobicContact CE1-CB 3.85Å; F176-Y192 AromaticContact CD2-CD2 3.98Å; F176-Y192 HydrophobicContact CD2-CD2 3.98Å; F176-Y192 HydrophobicContact CD2-CG 4.27Å; F176-Y192 HydrophobicContact CE2-CD2 4.12Å; F176-Y195 AromaticContact CE1-CD2 3.53Å; F176-Y195 HydrophobicContact CE1-CD2 3.53Å; F176-Y195 HydrophobicContact CE1-CE2 4.18Å; F176-Y195 HydrophobicContact CE1-CG 4.3Å; F176-Y195 AromaticContact CZ-CD2 3.62Å; F176-Y195 HydrophobicContact CZ-CD2 3.62Å; F176-Y195 AromaticContact CZ-CG 3.93Å; F176-Y195 HydrophobicContact CZ-CG 3.93Å
177	N	97.8	Very high	98.6	Very high	94 Å²	94	30.1 Å²	30.1	50%	0.503	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	37.1	-175.9	-53.3	-51.7	0	0	0	113.6	Q174 H179 Q188	Q174-N177 PolarHBondContact O-N 3.48Å; N177-H179 PolarHBondContact O-CD2 3.33Å; N177-H179 VanDerWaalsContact O-CD2 3.3Å; N177-H179 PolarHBondContact O-NE2 3.39Å; N177-Q188 PolarHBondContact O-OE1 3.41Å; N177-Q188 VanDerWaalsContact O-OE1 3.1Å
178	N	98.4	Very high	98.5	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	16%	0.161	C	C	.	.			trans	-101.6	152.9	165.5	-57.3	-72.9	0	0	0	109.6	W142 A173 Q174 G184 L185 Q188	W142-N178 HydrophobicContact CH2-CB 3.44Å; W142-N178 VanDerWaalsContact CH2-CB 3.44Å; W142-N178 HydrophobicContact CZ2-CB 3.83Å; W142-N178 HydrophobicContact CZ3-CB 3.85Å; A173-N178 HydrophobicContact CB-CB 4.18Å; A173-N178 PolarHBondContact O-ND2 3.2Å; A173-N178 VanDerWaalsContact O-ND2 3.15Å; Q174-N178 VanDerWaalsContact CA-O 3.31Å; Q174-N178 WeakPolarHBondContact CA-O 3.49Å; N178-G184 WeakPolarHBondContact OD1-CA 3.41Å; N178-L185 PolarHBondContact OD1-N 2.96Å; N178-L185 PolarHBondContact OD1-O 2.85Å; N178-Q188 PolarHBondContact OD1-OE1 3.29Å
179	H	98.4	Very high	98.5	Very high	70 Å²	70	31.4 Å²	31.4	32%	0.324	16%	0.161	S	C	.	.			trans	-128.5	31.3	-165.8	-56.4	-96.2	0	0	0	111.9	E98 N177 C181 Q182 G183	E98-H179 IonicContact OE1-CE1 3.16Å; E98-H179 IonicContact OE1-CG 3.06Å; E98-H179 IonicContact OE1-ND1 3.45Å; N177-H179 PolarHBondContact O-CD2 3.33Å; N177-H179 VanDerWaalsContact O-CD2 3.3Å; N177-H179 PolarHBondContact O-NE2 3.39Å; H179-C181 PolarHBondContact O-N 2.84Å; H179-Q182 HydrophobicContact CB-CB 3.92Å; H179-Q182 VanDerWaalsContact O-CB 3.29Å; H179-Q182 WeakPolarHBondContact O-CB 3.33Å; H179-Q182 PolarHBondContact O-N 2.85Å; H179-G183 CarbonylContact C-O 3.59Å; H179-G183 WeakPolarHBondContact CA-O 3.34Å; H179-G183 WeakPolarHBondContact CB-O 3.41Å; H179-G183 PolarHBondContact N-O 3.02Å
180	G	98.5	Very high	98.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	57.4	-123	177	0	0	0	0	0	112.5	W142 V170 Q182 D211	W142-G180 PolarHBondContact NE1-O 3.5Å; V170-G180 WeakPolarHBondContact O-CA 3.15Å; G180-Q182 PolarHBondContact O-N 3.21Å; G180-D211 VanDerWaalsContact CA-OD1 3.29Å; G180-D211 WeakPolarHBondContact CA-OD1 3.23Å
181	C	98.6	Very high	98.5	Very high	22 Å²	22	33.6 Å²	33.6	15%	0.149	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-72.3	-8.2	176.2	-72.5	0	0	0	0	115.1	C138 G139 H179 Q210 D211	C138-C181 HydrophobicContact CB-CB 3.98Å; C138-C181 WeakPolarHBondContact CB-SG 3.21Å; C138-C181 WeakPolarHBondContact SG-CA 3.37Å; C138-C181 WeakPolarHBondContact SG-CB 3.36Å; C138-C181 CovalentContact SG-SG 2.03Å; C138-C181 PolarHBondContact SG-SG 3.25Å; G139-C181 WeakPolarHBondContact CA-O 3.1Å; G139-C181 PolarHBondContact N-O 3.35Å; H179-C181 PolarHBondContact O-N 2.84Å; C181-Q210 VanDerWaalsContact SG-CA 3.59Å; C181-D211 PolarHBondContact N-OD1 2.93Å
182	Q	98.4	Very high	98.5	Very high	101 Å²	101	33.6 Å²	33.6	47%	0.472	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-86.7	-18.8	178.3	-64.8	179.2	15.4	0	0	112.8	W96 S97 H179 G180	W96-Q182 CarbonylContact C-O 3.32Å; W96-Q182 VanDerWaalsContact CA-O 3.3Å; W96-Q182 WeakPolarHBondContact CA-O 3.41Å; S97-Q182 PolarHBondContact N-O 2.73Å; S97-Q182 VanDerWaalsContact OG-CB 3.27Å; S97-Q182 WeakPolarHBondContact OG-CB 3.5Å; S97-Q182 PolarHBondContact OG-O 3.05Å; H179-Q182 HydrophobicContact CB-CB 3.92Å; H179-Q182 VanDerWaalsContact O-CB 3.29Å; H179-Q182 WeakPolarHBondContact O-CB 3.33Å; H179-Q182 PolarHBondContact O-N 2.85Å; G180-Q182 PolarHBondContact O-N 3.21Å
183	G	98.4	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.			trans	141	178.7	177.5	0	0	0	0	0	113	W142 H179	W142-G183 VanDerWaalsContact CD1-C 3.48Å; W142-G183 VanDerWaalsContact NE1-C 3.34Å; W142-G183 PolarHBondContact NE1-O 2.99Å; H179-G183 CarbonylContact C-O 3.59Å; H179-G183 WeakPolarHBondContact CA-O 3.34Å; H179-G183 WeakPolarHBondContact CB-O 3.41Å; H179-G183 PolarHBondContact N-O 3.02Å
184	G	98.4	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.			trans	169.2	177.2	179.8	0	0	0	0	0	110.2	W96 W142 N178	W96-G184 WeakPolarHBondContact CH2-O 3.46Å; W96-G184 WeakPolarHBondContact CZ2-O 3.43Å; W142-G184 WeakPolarHBondContact CB-O 3Å; W142-G184 VanDerWaalsContact CD1-N 3.34Å; N178-G184 WeakPolarHBondContact OD1-CA 3.41Å
185	L	98.7	Very high	98.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.188	C	C	.	.			trans	-125.8	141	-179.1	-70.1	168.5	0	0	0	112.3	W96 Q100 N101 C102 N178 S187 Q188 A189	W96-L185 HydrophobicContact CH2-CD2 3.71Å; W96-L185 HydrophobicContact CZ3-CD2 4.13Å; Q100-L185 HydrophobicContact CB-CD1 3.91Å; Q100-L185 HydrophobicContact CB-CD2 4Å; Q100-L185 HydrophobicContact CB-CG 3.78Å; Q100-L185 HydrophobicContact CG-CG 4.5Å; N101-L185 WeakPolarHBondContact O-CD1 3.21Å; C102-L185 HydrophobicContact CB-CD1 4.47Å; C102-L185 HydrophobicContact CB-CD2 4.35Å; N178-L185 PolarHBondContact OD1-N 2.96Å; N178-L185 PolarHBondContact OD1-O 2.85Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 2.73Å; L185-Q188 HydrophobicContact CB-CB 4.31Å; L185-Q188 HydrophobicContact CB-CG 4.18Å; L185-Q188 PolarHBondContact O-N 2.81Å; L185-A189 WeakPolarHBondContact O-CB 3.19Å; L185-A189 PolarHBondContact O-N 3.14Å
186	P	98.8	Very high	98.6	Very high	2 Å²	2	34 Å²	34	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-56	-42.3	176.7	-27.5	35.8	0	0	0	114	T146 Q188 A189 F190 A282	T146-P186 WeakPolarHBondContact OG1-CA 3.33Å; P186-Q188 PolarHBondContact O-N 3.13Å; P186-A189 CarbonylContact O-C 3.6Å; P186-A189 WeakPolarHBondContact O-CB 3.47Å; P186-A189 PolarHBondContact O-N 2.92Å; P186-F190 HydrophobicContact CB-CE2 3.81Å; P186-F190 HydrophobicContact CB-CZ 4.09Å; P186-F190 WeakPolarHBondContact O-CD2 3.2Å; P186-F190 WeakPolarHBondContact O-CE2 3.2Å; P186-F190 WeakPolarHBondContact O-CG 3.4Å; P186-F190 PolarHBondContact O-N 3.04Å; P186-A282 HydrophobicContact CG-CB 4.16Å
187	S	98.4	Very high	98.6	Very high	27 Å²	27	38.5 Å²	38.5	19%	0.189	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-44.6	178.2	54	0	0	0	0	112.9	L185 A189 F190 E191 N230 S329	L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 2.73Å; S187-A189 VanDerWaalsContact C-N 3.34Å; S187-F190 PolarHBondContact O-N 2.91Å; S187-E191 PolarHBondContact O-N 3.24Å; S187-E191 VanDerWaalsContact O-N 3.13Å; S187-N230 VanDerWaalsContact CB-OD1 3.25Å; S187-N230 WeakPolarHBondContact CB-OD1 3.3Å; S187-S329 PolarHBondContact N-OG 2.85Å
188	Q	98.6	Very high	98.6	Very high	27 Å²	27	34 Å²	34	13%	0.126	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-39.2	176	-70.2	170.5	-18.2	0	0	111.6	F176 N177 N178 L185 P186 E191 Y192	F176-Q188 HydrophobicContact CB-CB 4.45Å; F176-Q188 WeakPolarHBondContact O-CB 3.48Å; F176-Q188 WeakPolarHBondContact O-CG 3.4Å; N177-Q188 PolarHBondContact O-OE1 3.41Å; N177-Q188 VanDerWaalsContact O-OE1 3.1Å; N178-Q188 PolarHBondContact OD1-OE1 3.29Å; L185-Q188 HydrophobicContact CB-CB 4.31Å; L185-Q188 HydrophobicContact CB-CG 4.18Å; L185-Q188 PolarHBondContact O-N 2.81Å; P186-Q188 PolarHBondContact O-N 3.13Å; Q188-E191 PolarHBondContact O-N 2.05Å; Q188-Y192 PolarHBondContact O-N 2.77Å
189	A	98.9	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-39.9	175.8	0	0	0	0	0	112.2	W142 T146 L169 L185 P186 S187 E191 Y192 I193	W142-A189 HydrophobicContact CE3-CB 3.89Å; W142-A189 HydrophobicContact CZ3-CB 3.62Å; T146-A189 HydrophobicContact CG2-CB 3.56Å; T146-A189 WeakPolarHBondContact OG1-CB 3.4Å; L169-A189 HydrophobicContact CD2-CB 4.46Å; L185-A189 WeakPolarHBondContact O-CB 3.19Å; L185-A189 PolarHBondContact O-N 3.14Å; P186-A189 CarbonylContact O-C 3.6Å; P186-A189 WeakPolarHBondContact O-CB 3.47Å; P186-A189 PolarHBondContact O-N 2.92Å; S187-A189 VanDerWaalsContact C-N 3.34Å; A189-E191 VanDerWaalsContact C-N 3.35Å; A189-E191 PolarHBondContact O-N 3.25Å; A189-Y192 WeakPolarHBondContact O-CB 3.27Å; A189-Y192 PolarHBondContact O-N 3.33Å; A189-I193 VanDerWaalsContact O-CG1 3.31Å; A189-I193 WeakPolarHBondContact O-CG1 3.16Å; A189-I193 PolarHBondContact O-N 2.78Å
190	F	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-41.5	174.5	-61.4	-46.4	0	0	0	111.6	T146 A149 P186 S187 I193 R194 V228 P331	T146-F190 HydrophobicContact CG2-CD1 3.55Å; T146-F190 HydrophobicContact CG2-CE1 3.4Å; T146-F190 HydrophobicContact CG2-CG 4.46Å; T146-F190 HydrophobicContact CG2-CZ 4.18Å; T146-F190 WeakPolarHBondContact O-CE1 3.47Å; A149-F190 HydrophobicContact CB-CE1 4.2Å; A149-F190 HydrophobicContact CB-CZ 3.76Å; P186-F190 HydrophobicContact CB-CE2 3.81Å; P186-F190 HydrophobicContact CB-CZ 4.09Å; P186-F190 WeakPolarHBondContact O-CD2 3.2Å; P186-F190 WeakPolarHBondContact O-CE2 3.2Å; P186-F190 WeakPolarHBondContact O-CG 3.4Å; P186-F190 PolarHBondContact O-N 3.04Å; S187-F190 PolarHBondContact O-N 2.91Å; F190-I193 PolarHBondContact O-N 3.34Å; F190-R194 WeakPolarHBondContact O-CB 3.5Å; F190-R194 PolarHBondContact O-N 3.38Å; F190-V228 HydrophobicContact CB-CB 4.39Å; F190-V228 HydrophobicContact CB-CG1 3.92Å; F190-V228 HydrophobicContact CB-CG2 3.58Å; F190-V228 HydrophobicContact CD2-CG1 4.06Å; F190-V228 HydrophobicContact CG-CG1 4.46Å; F190-P331 HydrophobicContact CD1-CB 3.77Å; F190-P331 HydrophobicContact CD1-CG 3.94Å; F190-P331 HydrophobicContact CE1-CB 4.02Å; F190-P331 HydrophobicContact CE1-CG 3.64Å; F190-P331 HydrophobicContact CG-CB 4.11Å; F190-P331 HydrophobicContact CZ-CG 4.08Å
191	E	98.7	Very high	98.7	Very high	46 Å²	46	30.5 Å²	30.5	22%	0.215	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-42.8	173.5	-70.3	-66.9	-178	0	0	111.3	F176 S187 Q188 A189 I193 R194 Y195 V228	F176-E191 HydrophobicContact CD1-CB 3.77Å; F176-E191 HydrophobicContact CE1-CB 3.85Å; S187-E191 PolarHBondContact O-N 3.24Å; S187-E191 VanDerWaalsContact O-N 3.13Å; Q188-E191 PolarHBondContact O-N 2.05Å; A189-E191 VanDerWaalsContact C-N 3.35Å; A189-E191 PolarHBondContact O-N 3.25Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 3.44Å; E191-R194 WeakPolarHBondContact O-CB 3.4Å; E191-R194 PolarHBondContact O-N 2.87Å; E191-R194 VanDerWaalsContact O-N 3.17Å; E191-R194 IonicContact OE1-NH1 2.93Å; E191-R194 WeakPolarHBondContact OE2-CD 3.5Å; E191-R194 IonicContact OE2-NH1 2.96Å; E191-Y195 HydrophobicContact CB-CD2 4.42Å; E191-Y195 HydrophobicContact CB-CE2 4.5Å; E191-Y195 WeakPolarHBondContact O-CD2 3.22Å; E191-Y195 PolarHBondContact O-N 2.97Å; E191-Y195 VanDerWaalsContact OE2-CE2 3.29Å; E191-Y195 WeakPolarHBondContact OE2-CE2 3.39Å; E191-V228 HydrophobicContact CG-CG2 3.98Å
192	Y	98.8	Very high	98.7	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-52.3	-52.1	171.7	161.3	-100.3	0	0	0	111	Q168 L169 C172 A173 F176 Q188 A189 R194 Y195 N196	Q168-Y192 PolarHBondContact NE2-OH 2.82Å; L169-Y192 HydrophobicContact CD2-CD1 3.53Å; L169-Y192 HydrophobicContact CD2-CE1 3.71Å; C172-Y192 HydrophobicContact CB-CE2 4.06Å; C172-Y192 WeakPolarHBondContact CB-OH 3.28Å; C172-Y192 WeakPolarHBondContact O-CE2 3.34Å; A173-Y192 HydrophobicContact CB-CD1 3.83Å; A173-Y192 HydrophobicContact CB-CD2 4.09Å; A173-Y192 HydrophobicContact CB-CE1 4.36Å; A173-Y192 HydrophobicContact CB-CG 3.69Å; F176-Y192 AromaticContact CD2-CD2 3.98Å; F176-Y192 HydrophobicContact CD2-CD2 3.98Å; F176-Y192 HydrophobicContact CD2-CG 4.27Å; F176-Y192 HydrophobicContact CE2-CD2 4.12Å; Q188-Y192 PolarHBondContact O-N 2.77Å; A189-Y192 WeakPolarHBondContact O-CB 3.27Å; A189-Y192 PolarHBondContact O-N 3.33Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 3.49Å; Y192-Y195 PolarHBondContact O-N 2.8Å; Y192-N196 HydrophobicContact CD2-CB 4.13Å; Y192-N196 HydrophobicContact CE1-CB 4.38Å; Y192-N196 HydrophobicContact CE2-CB 3.75Å; Y192-N196 WeakPolarHBondContact O-CA 3.35Å; Y192-N196 WeakPolarHBondContact O-CB 3.44Å; Y192-N196 PolarHBondContact O-N 3.27Å; Y192-N196 PolarHBondContact OH-ND2 3.25Å; Y192-N196 PolarHBondContact OH-OD1 3.38Å
193	I	98.9	Very high	98.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-41.6	-179.2	-62.4	166.2	0	0	0	111	T146 L150 L169 A189 F190 E191 K197 G198 I199 V225	T146-I193 HydrophobicContact CG2-CD1 3.88Å; L150-I193 HydrophobicContact CD2-CD1 3.9Å; L150-I193 HydrophobicContact CD2-CG2 4.22Å; L169-I193 HydrophobicContact CD2-CD1 4.09Å; L169-I193 HydrophobicContact CD2-CG1 3.93Å; A189-I193 VanDerWaalsContact O-CG1 3.31Å; A189-I193 WeakPolarHBondContact O-CG1 3.16Å; A189-I193 PolarHBondContact O-N 2.78Å; F190-I193 PolarHBondContact O-N 3.34Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 3.44Å; I193-K197 PolarHBondContact O-N 2.93Å; I193-G198 PolarHBondContact O-N 3.36Å; I193-I199 HydrophobicContact CD1-CB 4.38Å; I193-I199 HydrophobicContact CD1-CD1 4.01Å; I193-I199 HydrophobicContact CD1-CG2 4.36Å; I193-I199 HydrophobicContact CG1-CB 4.2Å; I193-I199 HydrophobicContact CG1-CD1 4.37Å; I193-I199 HydrophobicContact CG2-CB 4.12Å; I193-I199 HydrophobicContact CG2-CG2 4.09Å; I193-V225 HydrophobicContact CB-CB 4.47Å; I193-V225 HydrophobicContact CB-CG2 3.91Å; I193-V225 HydrophobicContact CG2-CB 4.23Å; I193-V225 HydrophobicContact CG2-CG2 3.66Å
194	R	98.7	Very high	98.7	Very high	74 Å²	74	35.7 Å²	35.7	28%	0.279	17%	0.168	S	C	.	.	H	α-helix	trans	-60.4	-48.8	178	-175.6	-172.5	-168.7	-170.8	6.2	112.4	F190 E191 Y192 V225 K226 D227	F190-R194 WeakPolarHBondContact O-CB 3.5Å; F190-R194 PolarHBondContact O-N 3.38Å; E191-R194 WeakPolarHBondContact O-CB 3.4Å; E191-R194 PolarHBondContact O-N 2.87Å; E191-R194 VanDerWaalsContact O-N 3.17Å; E191-R194 IonicContact OE1-NH1 2.93Å; E191-R194 WeakPolarHBondContact OE2-CD 3.5Å; E191-R194 IonicContact OE2-NH1 2.96Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 3.49Å; R194-V225 HydrophobicContact CB-CB 4.07Å; R194-V225 HydrophobicContact CB-CG1 4.06Å; R194-K226 PolarHBondContact NE-O 2.87Å; R194-K226 PolarHBondContact NH2-O 2.93Å; R194-D227 IonicContact CZ-OD1 3.8Å; R194-D227 IonicContact NH2-OD1 3.53Å; R194-D227 PolarHBondContact NH2-OD1 3.09Å
195	Y	98.7	Very high	98.7	Very high	143 Å²	143	36 Å²	36	56%	0.561	17%	0.169	S	C	*	.	H	α-helix	trans	-78.4	-33	-178.6	-75	-75.3	0	0	0	112.8	F176 E191 Y192 K197	F176-Y195 AromaticContact CE1-CD2 3.53Å; F176-Y195 HydrophobicContact CE1-CD2 3.53Å; F176-Y195 HydrophobicContact CE1-CE2 4.18Å; F176-Y195 HydrophobicContact CE1-CG 4.3Å; F176-Y195 AromaticContact CZ-CD2 3.62Å; F176-Y195 HydrophobicContact CZ-CD2 3.62Å; F176-Y195 AromaticContact CZ-CG 3.93Å; F176-Y195 HydrophobicContact CZ-CG 3.93Å; E191-Y195 HydrophobicContact CB-CD2 4.42Å; E191-Y195 HydrophobicContact CB-CE2 4.5Å; E191-Y195 WeakPolarHBondContact O-CD2 3.22Å; E191-Y195 PolarHBondContact O-N 2.97Å; E191-Y195 VanDerWaalsContact OE2-CE2 3.29Å; E191-Y195 WeakPolarHBondContact OE2-CE2 3.39Å; Y192-Y195 PolarHBondContact O-N 2.8Å; Y195-K197 PolarHBondContact O-N 3.25Å
196	N	98.6	Very high	98.7	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.214	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-10.2	174.7	-171.3	70.6	0	0	0	113.1	Q168 Y192 G198 Y216	Q168-N196 PolarHBondContact NE2-ND2 2.91Å; Y192-N196 HydrophobicContact CD2-CB 4.13Å; Y192-N196 HydrophobicContact CE1-CB 4.38Å; Y192-N196 HydrophobicContact CE2-CB 3.75Å; Y192-N196 WeakPolarHBondContact O-CA 3.35Å; Y192-N196 WeakPolarHBondContact O-CB 3.44Å; Y192-N196 PolarHBondContact O-N 3.27Å; Y192-N196 PolarHBondContact OH-ND2 3.25Å; Y192-N196 PolarHBondContact OH-OD1 3.38Å; N196-G198 PolarHBondContact ND2-O 3.12Å; N196-Y216 WeakPolarHBondContact ND2-CE1 3.46Å; N196-Y216 VanDerWaalsContact ND2-CE2 3.3Å; N196-Y216 WeakPolarHBondContact ND2-CE2 3.34Å; N196-Y216 PolarHBondContact ND2-OH 2.99Å; N196-Y216 PolarHBondContact O-OH 3.11Å; N196-Y216 WeakPolarHBondContact OD1-CD1 3.33Å; N196-Y216 WeakPolarHBondContact OD1-CE1 3.48Å
197	K	98.6	Very high	98.7	Very high	148 Å²	148	41.2 Å²	41.2	64%	0.643	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	44.5	-176.3	-50.9	-58.4	178.9	-171.7	0	112.2	I193 Y195 Y216 F224	I193-K197 PolarHBondContact O-N 2.93Å; Y195-K197 PolarHBondContact O-N 3.25Å; K197-Y216 PolarHBondContact O-OH 2.94Å; K197-F224 WeakPolarHBondContact O-CD1 3.09Å; K197-F224 WeakPolarHBondContact O-CE1 3.04Å
198	G	98.7	Very high	98.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.217	C	C	.	.			trans	119	176.7	167.4	0	0	0	0	0	115.1	Q168 I193 N196 A223	Q168-G198 PolarHBondContact NE2-O 3.16Å; I193-G198 PolarHBondContact O-N 3.36Å; N196-G198 PolarHBondContact ND2-O 3.12Å; G198-A223 CarbonylContact C-O 3.54Å; G198-A223 WeakPolarHBondContact CA-O 3.46Å
199	I	98.9	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.9	179.7	-172	173.4	0	0	0	109.8	T147 L150 L164 Q168 L169 I193 A221 I222 A223	T147-I199 HydrophobicContact CG2-CD1 4.24Å; L150-I199 HydrophobicContact CD2-CG2 3.88Å; L164-I199 HydrophobicContact CB-CD1 4.36Å; L164-I199 HydrophobicContact CD1-CG2 3.98Å; L164-I199 HydrophobicContact CD2-CG2 4.16Å; L164-I199 HydrophobicContact CG-CG2 4.46Å; Q168-I199 HydrophobicContact CB-CG1 4.49Å; L169-I199 HydrophobicContact CD1-CD1 4.12Å; L169-I199 HydrophobicContact CD2-CD1 4.02Å; L169-I199 HydrophobicContact CG-CD1 3.91Å; I193-I199 HydrophobicContact CD1-CB 4.38Å; I193-I199 HydrophobicContact CD1-CD1 4.01Å; I193-I199 HydrophobicContact CD1-CG2 4.36Å; I193-I199 HydrophobicContact CG1-CB 4.2Å; I193-I199 HydrophobicContact CG1-CD1 4.37Å; I193-I199 HydrophobicContact CG2-CB 4.12Å; I193-I199 HydrophobicContact CG2-CG2 4.09Å; I199-A221 CarbonylContact O-C 3.42Å; I199-A221 WeakPolarHBondContact O-CA 3.43Å; I199-I222 PolarHBondContact O-N 2.97Å; I199-A223 HydrophobicContact CG2-CB 3.98Å; I199-A223 PolarHBondContact N-O 3.03Å; I199-A223 PolarHBondContact O-N 3.37Å
200	M	98.9	Very high	98.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	166.1	178.5	-66.1	173.6	60.3	0	0	111.9	A165 Y205 Y216 Q217 K220	A165-M200 WeakPolarHBondContact CB-O 3.36Å; A165-M200 PolarHBondContact N-O 2.03Å; M200-Y205 HydrophobicContact CE-CD2 4.35Å; M200-Y205 HydrophobicContact SD-CD2 3.94Å; M200-Y216 HydrophobicContact CG-CD2 3.96Å; M200-Y216 HydrophobicContact CG-CE2 4.17Å; M200-Y216 HydrophobicContact SD-CD2 3.91Å; M200-Q217 HydrophobicContact CE-CB 4.35Å; M200-Q217 HydrophobicContact SD-CB 4.14Å; M200-Q217 PolarHBondContact SD-N 2.93Å; M200-K220 WeakPolarHBondContact CA-O 3.33Å; M200-K220 HydrophobicContact CE-CB 3.73Å; M200-K220 HydrophobicContact CE-CD 3.78Å; M200-K220 HydrophobicContact CE-CG 4.41Å; M200-K220 HydrophobicContact CG-CB 4.05Å; M200-K220 HydrophobicContact SD-CB 4.3Å
201	G	98.8	Very high	98.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-83.3	155.3	172.8	0	0	0	0	0	112.9	F163 D203 T204 Y205 I222	F163-G201 CarbonylContact O-C 3.54Å; F163-G201 VanDerWaalsContact O-CA 3.24Å; F163-G201 WeakPolarHBondContact O-CA 3.49Å; G201-D203 VanDerWaalsContact C-OD1 3.27Å; G201-D203 WeakPolarHBondContact CA-OD1 3.21Å; G201-D203 PolarHBondContact O-N 3.32Å; G201-T204 PolarHBondContact N-OG1 2.82Å; G201-T204 PolarHBondContact O-N 2.82Å; G201-T204 PolarHBondContact O-OG1 3.16Å; G201-T204 VanDerWaalsContact O-OG1 3.11Å; G201-Y205 PolarHBondContact O-N 2.75Å; G201-I222 VanDerWaalsContact CA-CD1 3.47Å
202	E	98.8	Very high	98.6	Very high	51 Å²	51	56.4 Å²	56.4	24%	0.238	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.5	174.4	178.6	59.6	-160.2	0	0	112.2	F163 T204 Y205 P206 Y207	F163-E202 HydrophobicContact CB-CB 4.31Å; F163-E202 PolarHBondContact O-N 3.21Å; E202-T204 VanDerWaalsContact C-N 3.31Å; E202-T204 PolarHBondContact O-N 3.26Å; E202-Y205 CarbonylContact O-C 3.57Å; E202-P206 VanDerWaalsContact O-CA 3.28Å; E202-P206 WeakPolarHBondContact O-CA 3.48Å; E202-P206 WeakPolarHBondContact O-CG 3.03Å; E202-P206 WeakPolarHBondContact OE1-CA 3.37Å; E202-Y207 PolarHBondContact OE1-N 3.16Å; E202-Y207 PolarHBondContact OE2-N 3.37Å
203	D	98.4	Very high	98.6	Very high	131 Å²	131	62.3 Å²	62.3	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.7	176.5	65.2	-28.7	0	0	0	113.6	G201	G201-D203 VanDerWaalsContact C-OD1 3.27Å; G201-D203 WeakPolarHBondContact CA-OD1 3.21Å; G201-D203 PolarHBondContact O-N 3.32Å
204	T	98.7	Very high	98.6	Very high	49 Å²	49	65.6 Å²	65.6	30%	0.301	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-16.8	-176.6	52.2	0	0	0	0	113.4	G201 E202 K220	G201-T204 PolarHBondContact N-OG1 2.82Å; G201-T204 PolarHBondContact O-N 2.82Å; G201-T204 PolarHBondContact O-OG1 3.16Å; G201-T204 VanDerWaalsContact O-OG1 3.11Å; E202-T204 VanDerWaalsContact C-N 3.31Å; E202-T204 PolarHBondContact O-N 3.26Å; T204-K220 HydrophobicContact CG2-CD 4.04Å
205	Y	98.8	Very high	98.6	Very high	8 Å²	8	66.5 Å²	66.5	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	-140.7	76.5	173.7	-158.4	-28.1	0	0	0	110.9	A165 Q167 Q168 D171 M200 G201 E202 D213 K215	A165-Y205 HydrophobicContact CB-CG 4.36Å; A165-Y205 WeakPolarHBondContact CB-O 3.44Å; Q167-Y205 HydrophobicContact CB-CD1 3.73Å; Q167-Y205 HydrophobicContact CB-CE1 3.82Å; Q167-Y205 HydrophobicContact CG-CD1 3.85Å; Q167-Y205 HydrophobicContact CG-CE1 3.49Å; Q167-Y205 VanDerWaalsContact CG-CE1 3.49Å; Q168-Y205 HydrophobicContact CB-CD2 3.73Å; Q168-Y205 HydrophobicContact CB-CE2 3.86Å; Q168-Y205 HydrophobicContact CB-CG 4.34Å; Q168-Y205 HydrophobicContact CG-CD2 4.16Å; Q168-Y205 HydrophobicContact CG-CE2 4.07Å; D171-Y205 WeakPolarHBondContact CB-OH 3.35Å; D171-Y205 VanDerWaalsContact CG-OH 3.32Å; D171-Y205 WeakPolarHBondContact OD2-CE1 3.17Å; D171-Y205 PolarHBondContact OD2-OH 3.48Å; M200-Y205 HydrophobicContact CE-CD2 4.35Å; M200-Y205 HydrophobicContact SD-CD2 3.94Å; G201-Y205 PolarHBondContact O-N 2.75Å; E202-Y205 CarbonylContact O-C 3.57Å; Y205-D213 PolarHBondContact OH-O 2.88Å; Y205-K215 HydrophobicContact CE2-CB 3.86Å; Y205-K215 PolarHBondContact OH-N 3.07Å
206	P	98.7	Very high	98.6	Very high	66 Å²	66	61.6 Å²	61.6	43%	0.429	32%	0.318	S	S	.	.			trans	-67.1	147.9	-172.4	-21.3	33	0	0	0	114.4	E202	E202-P206 VanDerWaalsContact O-CA 3.28Å; E202-P206 WeakPolarHBondContact O-CA 3.48Å; E202-P206 WeakPolarHBondContact O-CG 3.03Å; E202-P206 WeakPolarHBondContact OE1-CA 3.37Å
207	Y	98.8	Very high	98.6	Very high	47 Å²	47	63.4 Å²	63.4	18%	0.184	33%	0.325	C	S	.	.			trans	-67.3	134	176.2	-167.3	-106.5	0	0	0	113.7	Q135 S140 F144 E166 Q167 V170 E202 G209	Q135-Y207 WeakPolarHBondContact O-CE1 3.06Å; Q135-Y207 PolarHBondContact O-OH 2.84Å; S140-Y207 PolarHBondContact OG-OH 2.99Å; F144-Y207 HydrophobicContact CE2-CD2 4.49Å; F144-Y207 HydrophobicContact CE2-CE1 4.25Å; F144-Y207 AromaticContact CE2-CE2 3.77Å; F144-Y207 HydrophobicContact CE2-CE2 3.77Å; F144-Y207 AromaticContact CE2-CZ 3.63Å; F144-Y207 HydrophobicContact CZ-CD1 4.13Å; F144-Y207 HydrophobicContact CZ-CD2 4.07Å; F144-Y207 AromaticContact CZ-CE1 3.82Å; F144-Y207 HydrophobicContact CZ-CE1 3.82Å; F144-Y207 AromaticContact CZ-CE2 3.75Å; F144-Y207 HydrophobicContact CZ-CE2 3.75Å; F144-Y207 HydrophobicContact CZ-CG 4.24Å; F144-Y207 AromaticContact CZ-CZ 3.61Å; E166-Y207 HydrophobicContact CB-CD2 3.73Å; E166-Y207 HydrophobicContact CB-CE2 4.04Å; Q167-Y207 HydrophobicContact CB-CD2 4.3Å; V170-Y207 HydrophobicContact CG2-CE2 4.4Å; E202-Y207 PolarHBondContact OE1-N 3.16Å; E202-Y207 PolarHBondContact OE2-N 3.37Å; Y207-G209 VanDerWaalsContact CE1-CA 3.47Å
208	R	98.4	Very high	98.6	Very high	158 Å²	158	61 Å²	61	60%	0.596	32%	0.324	S	S	*	.			trans	-120.4	-17.5	-177.8	-60.9	-174.8	176.6	-148.6	-6.1	113.5	Q210	R208-Q210 VanDerWaalsContact C-N 3.31Å; R208-Q210 HydrophobicContact CB-CG 4.1Å; R208-Q210 PolarHBondContact O-N 2.93Å
209	G	97.7	Very high	98.6	Very high	19 Å²	19	66.3 Å²	66.3	20%	0.196	36%	0.362	C	S	.	.	S	Bend	trans	68	30.1	178.6	0	0	0	0	0	114.1	C138 Y207	C138-G209 WeakPolarHBondContact CB-O 3.23Å; Y207-G209 VanDerWaalsContact CE1-CA 3.47Å
210	Q	98.4	Very high	98.6	Very high	123 Å²	123	70.1 Å²	70.1	58%	0.575	38%	0.378	S	S	*	.	S	Bend	trans	-157.8	158.6	176.4	55.8	174.5	74.9	0	0	109.1	Q167 C181 R208	Q167-Q210 PolarHBondContact NE2-O 3.03Å; C181-Q210 VanDerWaalsContact SG-CA 3.59Å; R208-Q210 VanDerWaalsContact C-N 3.31Å; R208-Q210 HydrophobicContact CB-CG 4.1Å; R208-Q210 PolarHBondContact O-N 2.93Å
211	D	98.6	Very high	98.6	Very high	81 Å²	81	70.9 Å²	70.9	43%	0.433	38%	0.384	S	S	.	.			trans	-65.8	142.8	173	-53.4	-69.2	0	0	0	111.1	G180 C181	G180-D211 VanDerWaalsContact CA-OD1 3.29Å; G180-D211 WeakPolarHBondContact CA-OD1 3.23Å; C181-D211 PolarHBondContact N-OD1 2.93Å
212	G	98.1	Very high	98.5	Very high	38 Å²	38	74.8 Å²	74.8	39%	0.392	41%	0.405	S	S	.	.			trans	-149.5	178.8	175	0	0	0	0	0	112.7	D171	D171-G212 WeakPolarHBondContact CB-O 3.34Å; D171-G212 PolarHBondContact OD1-N 3.32Å
213	D	98.4	Very high	98.5	Very high	131 Å²	131	72.5 Å²	72.5	70%	0.701	39%	0.394	S	S	*	.			trans	-70	139.9	175.7	-56	-48.7	0	0	0	111.2	Y205 K215	Y205-D213 PolarHBondContact OH-O 2.88Å; D213-K215 WeakPolarHBondContact O-CG 3.36Å; D213-K215 PolarHBondContact O-N 3.33Å
214	C	98.8	Very high	98.6	Very high	70 Å²	70	69.8 Å²	69.8	47%	0.473	38%	0.376	S	S	.	.			trans	-63.2	121	176.2	-178.2	0	0	0	0	112	C172	C172-C214 HydrophobicContact CB-CB 3.93Å; C172-C214 WeakPolarHBondContact CB-SG 3.47Å; C172-C214 WeakPolarHBondContact SG-CA 3.31Å; C172-C214 WeakPolarHBondContact SG-CB 3.43Å; C172-C214 CovalentContact SG-SG 2.04Å; C172-C214 PolarHBondContact SG-SG 3.43Å
215	K	98.6	Very high	98.6	Very high	93 Å²	93	67.8 Å²	67.8	40%	0.404	36%	0.364	S	S	.	.			trans	-116.3	24.7	-178.4	-65.7	165	-162.2	177.4	0	113.4	Y205 D213 Q217	Y205-K215 HydrophobicContact CE2-CB 3.86Å; Y205-K215 PolarHBondContact OH-N 3.07Å; D213-K215 WeakPolarHBondContact O-CG 3.36Å; D213-K215 PolarHBondContact O-N 3.33Å; K215-Q217 PolarHBondContact O-N 2.64Å
216	Y	98.8	Very high	98.6	Very high	41 Å²	41	73 Å²	73	16%	0.161	39%	0.387	C	S	.	.			trans	-57.8	133.9	-179.3	175.6	-118.3	0	0	0	111.8	Q168 N196 K197 M200 P218 A221	Q168-Y216 HydrophobicContact CG-CD2 4.49Å; Q168-Y216 VanDerWaalsContact NE2-CD2 3.31Å; N196-Y216 WeakPolarHBondContact ND2-CE1 3.46Å; N196-Y216 VanDerWaalsContact ND2-CE2 3.3Å; N196-Y216 WeakPolarHBondContact ND2-CE2 3.34Å; N196-Y216 PolarHBondContact ND2-OH 2.99Å; N196-Y216 PolarHBondContact O-OH 3.11Å; N196-Y216 WeakPolarHBondContact OD1-CD1 3.33Å; N196-Y216 WeakPolarHBondContact OD1-CE1 3.48Å; K197-Y216 PolarHBondContact O-OH 2.94Å; M200-Y216 HydrophobicContact CG-CD2 3.96Å; M200-Y216 HydrophobicContact CG-CE2 4.17Å; M200-Y216 HydrophobicContact SD-CD2 3.91Å; Y216-P218 HydrophobicContact CD1-CG 4.45Å; Y216-P218 HydrophobicContact CE1-CB 4.4Å; Y216-P218 HydrophobicContact CE1-CG 3.87Å; Y216-A221 HydrophobicContact CE2-CB 4.31Å
217	Q	98.8	Very high	98.5	Very high	77 Å²	77	72.6 Å²	72.6	36%	0.36	38%	0.381	S	S	.	.			trans	-126.1	112.4	176.7	-74	168.8	56.6	0	0	108.5	M200 K215 S219 K220	M200-Q217 HydrophobicContact CE-CB 4.35Å; M200-Q217 HydrophobicContact SD-CB 4.14Å; M200-Q217 PolarHBondContact SD-N 2.93Å; K215-Q217 PolarHBondContact O-N 2.64Å; Q217-S219 PolarHBondContact O-N 3.38Å; Q217-S219 VanDerWaalsContact O-N 3.15Å; Q217-K220 HydrophobicContact CB-CB 4.22Å; Q217-K220 HydrophobicContact CB-CD 4.13Å; Q217-K220 HydrophobicContact CB-CG 4.19Å; Q217-K220 PolarHBondContact O-N 3.14Å
218	P	98.4	Very high	98.5	Very high	98 Å²	98	70.6 Å²	70.6	64%	0.636	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-55	-36.2	-177	-28.3	34.5	0	0	0	114.1	Y216 K220 A221	Y216-P218 HydrophobicContact CD1-CG 4.45Å; Y216-P218 HydrophobicContact CE1-CB 4.4Å; Y216-P218 HydrophobicContact CE1-CG 3.87Å; P218-K220 PolarHBondContact O-N 3.38Å; P218-A221 PolarHBondContact O-N 3.25Å
219	S	98.3	Very high	98.5	Very high	112 Å²	112	63.4 Å²	63.4	78%	0.783	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-69.2	-9.8	178.6	55.7	0	0	0	0	114.6	Q217	Q217-S219 PolarHBondContact O-N 3.38Å; Q217-S219 VanDerWaalsContact O-N 3.15Å
220	K	98.6	Very high	98.5	Very high	79 Å²	79	64.6 Å²	64.6	34%	0.343	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-111.5	6.3	179.9	-64.9	-176.2	175.2	166.4	0	113	M200 T204 Q217 P218	M200-K220 WeakPolarHBondContact CA-O 3.33Å; M200-K220 HydrophobicContact CE-CB 3.73Å; M200-K220 HydrophobicContact CE-CD 3.78Å; M200-K220 HydrophobicContact CE-CG 4.41Å; M200-K220 HydrophobicContact CG-CB 4.05Å; M200-K220 HydrophobicContact SD-CB 4.3Å; T204-K220 HydrophobicContact CG2-CD 4.04Å; Q217-K220 HydrophobicContact CB-CB 4.22Å; Q217-K220 HydrophobicContact CB-CD 4.13Å; Q217-K220 HydrophobicContact CB-CG 4.19Å; Q217-K220 PolarHBondContact O-N 3.14Å; P218-K220 PolarHBondContact O-N 3.38Å
221	A	98.8	Very high	98.5	Very high	16 Å²	16	59.1 Å²	59.1	13%	0.132	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132	172.5	0	0	0	0	0	110.2	I199 Y216 P218 F224	I199-A221 CarbonylContact O-C 3.42Å; I199-A221 WeakPolarHBondContact O-CA 3.43Å; Y216-A221 HydrophobicContact CE2-CB 4.31Å; P218-A221 PolarHBondContact O-N 3.25Å; A221-F224 HydrophobicContact CB-CE1 3.9Å; A221-F224 HydrophobicContact CB-CZ 3.97Å
222	I	98.7	Very high	98.4	Very high	83 Å²	83	57.7 Å²	57.7	43%	0.426	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-11.7	-175.7	65.6	169	0	0	0	113.8	P162 L164 I199 G201	P162-I222 HydrophobicContact CB-CD1 4.24Å; L164-I222 HydrophobicContact CD2-CD1 3.91Å; L164-I222 HydrophobicContact CD2-CG1 3.77Å; I199-I222 PolarHBondContact O-N 2.97Å; G201-I222 VanDerWaalsContact CA-CD1 3.47Å
223	A	98.6	Very high	98.3	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.6	175	0	0	0	0	0	110.6	L150 V154 L164 G198 I199	L150-A223 HydrophobicContact CD2-CB 4.18Å; L150-A223 HydrophobicContact CG-CB 4.39Å; V154-A223 HydrophobicContact CG2-CB 4.22Å; L164-A223 HydrophobicContact CD1-CB 3.93Å; L164-A223 HydrophobicContact CD2-CB 3.59Å; L164-A223 HydrophobicContact CG-CB 4.42Å; G198-A223 CarbonylContact C-O 3.54Å; G198-A223 WeakPolarHBondContact CA-O 3.46Å; I199-A223 HydrophobicContact CG2-CB 3.98Å; I199-A223 PolarHBondContact N-O 3.03Å; I199-A223 PolarHBondContact O-N 3.37Å
224	F	98.8	Very high	98.3	Very high	74 Å²	74	56.8 Å²	56.8	33%	0.325	31%	0.305	S	S	.	.			trans	-140.2	148.6	-170.3	-53.3	-91.1	0	0	0	110.1	K197 A221 P333 L334	K197-F224 WeakPolarHBondContact O-CD1 3.09Å; K197-F224 WeakPolarHBondContact O-CE1 3.04Å; A221-F224 HydrophobicContact CB-CE1 3.9Å; A221-F224 HydrophobicContact CB-CZ 3.97Å; F224-P333 WeakPolarHBondContact O-CA 3.39Å; F224-L334 HydrophobicContact CB-CB 3.78Å; F224-L334 HydrophobicContact CB-CD2 4.13Å; F224-L334 HydrophobicContact CB-CG 4.31Å; F224-L334 PolarHBondContact O-N 3.43Å
225	V	98.9	Very high	98.2	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.6	176.3	174.6	0	0	0	0	108.5	L150 I193 R194 D227 V228 P331	L150-V225 HydrophobicContact CD1-CG2 3.92Å; L150-V225 HydrophobicContact CD2-CG2 3.9Å; I193-V225 HydrophobicContact CB-CB 4.47Å; I193-V225 HydrophobicContact CB-CG2 3.91Å; I193-V225 HydrophobicContact CG2-CB 4.23Å; I193-V225 HydrophobicContact CG2-CG2 3.66Å; R194-V225 HydrophobicContact CB-CB 4.07Å; R194-V225 HydrophobicContact CB-CG1 4.06Å; V225-D227 WeakPolarHBondContact CG1-O 3.41Å; V225-V228 HydrophobicContact CG1-CG2 4.03Å; V225-P331 HydrophobicContact CG1-CB 4.24Å; V225-P331 HydrophobicContact CG2-CB 4.05Å
226	K	98.6	Very high	98.2	Very high	117 Å²	117	51.8 Å²	51.8	51%	0.509	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-51.1	174.3	-170.2	-176	169	178.3	0	111	R194 I332 L334	R194-K226 PolarHBondContact NE-O 2.87Å; R194-K226 PolarHBondContact NH2-O 2.93Å; K226-I332 HydrophobicContact CB-CG2 4.43Å; K226-I332 WeakPolarHBondContact CB-O 3.37Å; K226-I332 PolarHBondContact N-O 3.07Å; K226-L334 HydrophobicContact CB-CB 3.95Å; K226-L334 HydrophobicContact CG-CD1 4.46Å
227	D	98.4	Very high	98.2	Very high	58 Å²	58	54.2 Å²	54.2	31%	0.31	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.6	-175.9	-68.6	-64.1	0	0	0	110.6	R194 V225 I332	R194-D227 IonicContact CZ-OD1 3.8Å; R194-D227 IonicContact NH2-OD1 3.53Å; R194-D227 PolarHBondContact NH2-OD1 3.09Å; V225-D227 WeakPolarHBondContact CG1-O 3.41Å; D227-I332 HydrophobicContact CB-CB 4.14Å; D227-I332 HydrophobicContact CB-CD1 3.99Å; D227-I332 PolarHBondContact N-O 2.91Å; D227-I332 PolarHBondContact O-N 3.01Å
228	V	98.4	Very high	98.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.9	178.6	-173.7	0	0	0	0	108.7	N108 F190 E191 V225	N108-V228 PolarHBondContact ND2-O 2.7Å; F190-V228 HydrophobicContact CB-CB 4.39Å; F190-V228 HydrophobicContact CB-CG1 3.92Å; F190-V228 HydrophobicContact CB-CG2 3.58Å; F190-V228 HydrophobicContact CD2-CG1 4.06Å; F190-V228 HydrophobicContact CG-CG1 4.46Å; E191-V228 HydrophobicContact CG-CG2 3.98Å; V225-V228 HydrophobicContact CG1-CG2 4.03Å
229	A	98.1	Very high	98.2	Very high	8 Å²	8	45.9 Å²	45.9	7%	0.066	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.7	174.7	0	0	0	0	0	109.7	Y109 S329 F330	Y109-A229 HydrophobicContact CD2-CB 4.23Å; A229-S329 CarbonylContact O-C 3.58Å; A229-S329 WeakPolarHBondContact O-CA 3.36Å; A229-S329 VanDerWaalsContact O-CB 3.28Å; A229-S329 WeakPolarHBondContact O-CB 3.33Å; A229-F330 HydrophobicContact CB-CD1 3.87Å; A229-F330 HydrophobicContact CB-CD2 4.07Å; A229-F330 HydrophobicContact CB-CE1 3.47Å; A229-F330 VanDerWaalsContact CB-CE1 3.47Å; A229-F330 HydrophobicContact CB-CE2 3.71Å; A229-F330 HydrophobicContact CB-CG 4.15Å; A229-F330 HydrophobicContact CB-CZ 3.39Å; A229-F330 PolarHBondContact N-O 3.32Å; A229-F330 PolarHBondContact O-N 3.22Å
230	N	97.9	Very high	98.2	Very high	43 Å²	43	40.8 Å²	40.8	23%	0.23	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.8	173.9	-64.5	-34	0	0	0	108.5	S107 N108 Y109 S187	S107-N230 WeakPolarHBondContact CB-O 3.42Å; N108-N230 PolarHBondContact N-O 2.97Å; N108-N230 PolarHBondContact OD1-N 2.89Å; N108-N230 PolarHBondContact OD1-O 2.78Å; Y109-N230 WeakPolarHBondContact CB-O 3.39Å; Y109-N230 PolarHBondContact N-O 2.61Å; S187-N230 VanDerWaalsContact CB-OD1 3.25Å; S187-N230 WeakPolarHBondContact CB-OD1 3.3Å
231	I	97.1	Very high	98.2	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.046	19%	0.192	C	C	.	.			trans	-74.5	138.1	176.3	-65.3	173.7	0	0	0	108.6	Y109 D235 A238 M239 A242 V249 A328 F330	Y109-I231 HydrophobicContact CD1-CG1 4.31Å; Y109-I231 HydrophobicContact CG-CG1 4.13Å; I231-D235 HydrophobicContact CG2-CB 4.09Å; I231-D235 WeakPolarHBondContact CG2-O 3.47Å; I231-A238 HydrophobicContact CG2-CB 3.72Å; I231-M239 HydrophobicContact CD1-CB 4.38Å; I231-M239 HydrophobicContact CD1-CG 3.84Å; I231-M239 HydrophobicContact CG2-CG 4.28Å; I231-A242 HydrophobicContact CD1-CB 4.17Å; I231-V249 HydrophobicContact CD1-CG1 4.03Å; I231-A328 HydrophobicContact CB-CB 4.12Å; I231-A328 WeakPolarHBondContact CB-O 3.4Å; I231-A328 HydrophobicContact CD1-CB 3.99Å; I231-A328 PolarHBondContact N-O 2.71Å; I231-F330 HydrophobicContact CD1-CD1 4.46Å
232	T	96.9	Very high	98.2	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.313	19%	0.186	S	C	.	.			trans	-56.6	138.5	179.3	-54.8	0	0	0	0	110.8	S107 N234 D235	S107-T232 WeakPolarHBondContact CB-OG1 3.29Å; S107-T232 PolarHBondContact OG-OG1 2.83Å; T232-N234 PolarHBondContact O-N 3.25Å; T232-D235 VanDerWaalsContact O-CB 3.27Å; T232-D235 WeakPolarHBondContact O-CB 3.48Å; T232-D235 PolarHBondContact O-N 3.48Å
233	L	97	Very high	98.2	Very high	69 Å²	69	32.7 Å²	32.7	36%	0.361	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	124.9	175.2	176.7	83.1	0	0	0	111.1	D235 P276 A326	L233-D235 PolarHBondContact O-N 3.18Å; L233-P276 HydrophobicContact CD1-CG 3.45Å; L233-P276 VanDerWaalsContact CD1-CG 3.45Å; L233-A326 HydrophobicContact CD1-CB 4.47Å; L233-A326 VanDerWaalsContact CD1-O 3.25Å; L233-A326 WeakPolarHBondContact CD1-O 3.25Å
234	N	96.9	Very high	98.2	Very high	80 Å²	80	33 Å²	33	43%	0.428	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	9.8	179.7	-56.3	-33.5	0	0	0	116	T232 E236 N320 A325	T232-N234 PolarHBondContact O-N 3.25Å; N234-E236 PolarHBondContact O-N 2.99Å; N234-N320 PolarHBondContact OD1-ND2 3.15Å; N234-A325 VanDerWaalsContact CA-O 3.3Å; N234-A325 WeakPolarHBondContact CA-O 3.43Å; N234-A325 PolarHBondContact N-O 3.09Å
235	D	97.8	Very high	98.2	Very high	43 Å²	43	33.8 Å²	33.8	23%	0.23	18%	0.176	C	C	.	.			trans	-81.8	70.6	175.2	-165	-9	0	0	0	111	I231 T232 L233 E237 A238 M239	I231-D235 HydrophobicContact CG2-CB 4.09Å; I231-D235 WeakPolarHBondContact CG2-O 3.47Å; T232-D235 VanDerWaalsContact O-CB 3.27Å; T232-D235 WeakPolarHBondContact O-CB 3.48Å; T232-D235 PolarHBondContact O-N 3.48Å; L233-D235 PolarHBondContact O-N 3.18Å; D235-E237 PolarHBondContact O-N 3.45Å; D235-A238 HydrophobicContact CB-CB 4.02Å; D235-A238 WeakPolarHBondContact O-CB 3.5Å; D235-A238 PolarHBondContact O-N 3.13Å; D235-A238 WeakPolarHBondContact OD1-CB 3.11Å; D235-A238 PolarHBondContact OD1-N 2.99Å; D235-A238 WeakPolarHBondContact OD2-CB 3.38Å; D235-M239 PolarHBondContact O-N 3.48Å
236	E	98.6	Very high	98.2	Very high	16 Å²	16	39 Å²	39	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-27.2	179.4	-166.5	174.7	177	0	0	112.1	N234 M239 V240 W297 R317 G318 K319 N320 L324 A325	N234-E236 PolarHBondContact O-N 2.99Å; E236-M239 HydrophobicContact CG-SD 4.35Å; E236-M239 VanDerWaalsContact O-CB 3.3Å; E236-M239 WeakPolarHBondContact O-CB 3.39Å; E236-M239 PolarHBondContact O-N 3.24Å; E236-V240 PolarHBondContact O-N 3.45Å; E236-W297 HydrophobicContact CG-CZ2 4.03Å; E236-W297 PolarHBondContact OE1-NE1 3.44Å; E236-R317 WeakPolarHBondContact OE1-CA 3.5Å; E236-G318 PolarHBondContact OE1-N 2.95Å; E236-G318 WeakPolarHBondContact OE2-CA 3.12Å; E236-G318 PolarHBondContact OE2-N 3.5Å; E236-K319 PolarHBondContact OE2-N 3.41Å; E236-N320 WeakPolarHBondContact OE2-CA 3.35Å; E236-N320 PolarHBondContact OE2-N 3.48Å; E236-L324 HydrophobicContact CG-CD1 3.98Å; E236-A325 HydrophobicContact CB-CB 3.8Å; E236-A325 HydrophobicContact CG-CB 4.31Å
237	E	98.3	Very high	98.1	Very high	92 Å²	92	33.7 Å²	33.7	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-72.2	-33.7	177.4	-165	61.8	-158.1	0	0	111.6	Y116 D235 M239 V240 E241	Y116-E237 HydrophobicContact CE2-CG 4.48Å; D235-E237 PolarHBondContact O-N 3.45Å; E237-M239 VanDerWaalsContact C-N 3.26Å; E237-M239 PolarHBondContact O-N 2.98Å; E237-V240 WeakPolarHBondContact O-CB 3.38Å; E237-V240 PolarHBondContact O-N 2.84Å; E237-V240 VanDerWaalsContact O-N 3.1Å; E237-E241 PolarHBondContact O-N 2.67Å
238	A	98.4	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-31.5	169.7	0	0	0	0	0	112.2	Y109 R111 I231 D235 V240 E241 A242	Y109-A238 HydrophobicContact CD1-CB 3.82Å; Y109-A238 HydrophobicContact CE1-CB 3.73Å; R111-A238 HydrophobicContact CB-CB 4.16Å; R111-A238 HydrophobicContact CG-CB 4.32Å; I231-A238 HydrophobicContact CG2-CB 3.72Å; D235-A238 HydrophobicContact CB-CB 4.02Å; D235-A238 WeakPolarHBondContact O-CB 3.5Å; D235-A238 PolarHBondContact O-N 3.13Å; D235-A238 WeakPolarHBondContact OD1-CB 3.11Å; D235-A238 PolarHBondContact OD1-N 2.99Å; D235-A238 WeakPolarHBondContact OD2-CB 3.38Å; A238-V240 VanDerWaalsContact C-N 3.31Å; A238-E241 PolarHBondContact O-N 2.83Å; A238-A242 VanDerWaalsContact O-CB 3.31Å; A238-A242 WeakPolarHBondContact O-CB 3.36Å; A238-A242 PolarHBondContact O-N 2.93Å
239	M	98.8	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-38.4	170.5	-57.3	170.4	60.1	0	0	111.1	I231 D235 E236 E237 A242 V243 F251 W297 L324 A325 A328	I231-M239 HydrophobicContact CD1-CB 4.38Å; I231-M239 HydrophobicContact CD1-CG 3.84Å; I231-M239 HydrophobicContact CG2-CG 4.28Å; D235-M239 PolarHBondContact O-N 3.48Å; E236-M239 HydrophobicContact CG-SD 4.35Å; E236-M239 VanDerWaalsContact O-CB 3.3Å; E236-M239 WeakPolarHBondContact O-CB 3.39Å; E236-M239 PolarHBondContact O-N 3.24Å; E237-M239 VanDerWaalsContact C-N 3.26Å; E237-M239 PolarHBondContact O-N 2.98Å; M239-A242 PolarHBondContact O-N 3.49Å; M239-V243 WeakPolarHBondContact O-CB 3.49Å; M239-V243 WeakPolarHBondContact O-CG2 3.08Å; M239-V243 PolarHBondContact O-N 3.1Å; M239-F251 HydrophobicContact CE-CB 3.96Å; M239-F251 HydrophobicContact CE-CD1 4.13Å; M239-F251 HydrophobicContact CE-CG 4.06Å; M239-W297 HydrophobicContact CB-CH2 3.81Å; M239-W297 HydrophobicContact CB-CZ2 3.93Å; M239-L324 HydrophobicContact CE-CD1 3.92Å; M239-L324 HydrophobicContact SD-CD1 4.12Å; M239-A325 HydrophobicContact SD-CB 3.81Å; M239-A328 HydrophobicContact CE-CB 3.94Å; M239-A328 HydrophobicContact CG-CB 3.67Å; M239-A328 HydrophobicContact SD-CB 3.7Å
240	V	98.8	Very high	98.2	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-49.8	178	175.7	0	0	0	0	109.6	Y116 E236 E237 A238 A242 V243 A244 Y288 W297	Y116-V240 HydrophobicContact CD2-CB 4.46Å; Y116-V240 HydrophobicContact CD2-CG1 3.78Å; Y116-V240 HydrophobicContact CG-CG1 4.3Å; E236-V240 PolarHBondContact O-N 3.45Å; E237-V240 WeakPolarHBondContact O-CB 3.38Å; E237-V240 PolarHBondContact O-N 2.84Å; E237-V240 VanDerWaalsContact O-N 3.1Å; A238-V240 VanDerWaalsContact C-N 3.31Å; V240-A242 PolarHBondContact O-N 3.04Å; V240-V243 PolarHBondContact O-N 3.18Å; V240-A244 WeakPolarHBondContact O-CB 3.31Å; V240-A244 PolarHBondContact O-N 3.04Å; V240-Y288 HydrophobicContact CG1-CD1 4.46Å; V240-Y288 HydrophobicContact CG1-CE1 3.9Å; V240-Y288 HydrophobicContact CG1-CE2 4.28Å; V240-W297 HydrophobicContact CB-CH2 4.21Å; V240-W297 HydrophobicContact CG2-CH2 3.54Å; V240-W297 HydrophobicContact CG2-CZ2 3.74Å
241	E	98.7	Very high	98.3	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-56.6	-48.9	175.5	-175.2	174.5	76.7	0	0	111.8	Y109 R111 G112 Y116 E237 A238 V243 A244 L245	Y109-E241 WeakPolarHBondContact CE1-OE1 3.4Å; Y109-E241 WeakPolarHBondContact OH-CG 3.38Å; Y109-E241 PolarHBondContact OH-OE1 3.15Å; R111-E241 VanDerWaalsContact CA-OE1 3.31Å; R111-E241 WeakPolarHBondContact CA-OE1 3.48Å; R111-E241 HydrophobicContact CG-CB 4.31Å; G112-E241 WeakPolarHBondContact CA-OE2 3.3Å; G112-E241 VanDerWaalsContact N-CD 3.31Å; G112-E241 PolarHBondContact N-OE1 2.86Å; G112-E241 PolarHBondContact N-OE2 3.45Å; Y116-E241 HydrophobicContact CD1-CB 4.37Å; Y116-E241 HydrophobicContact CD1-CG 4.28Å; Y116-E241 HydrophobicContact CE1-CB 3.7Å; Y116-E241 HydrophobicContact CE1-CG 3.45Å; Y116-E241 VanDerWaalsContact CE1-CG 3.45Å; Y116-E241 WeakPolarHBondContact CE1-OE2 3.25Å; Y116-E241 HydrophobicContact CE2-CB 3.96Å; Y116-E241 VanDerWaalsContact CZ-CB 3.47Å; Y116-E241 VanDerWaalsContact CZ-OE2 3.32Å; Y116-E241 VanDerWaalsContact OH-CD 3.24Å; Y116-E241 PolarHBondContact OH-OE2 3.37Å; E237-E241 PolarHBondContact O-N 2.67Å; A238-E241 PolarHBondContact O-N 2.83Å; E241-V243 PolarHBondContact O-N 3.2Å; E241-A244 PolarHBondContact O-N 3.24Å; E241-A244 VanDerWaalsContact O-N 3.13Å; E241-L245 HydrophobicContact CG-CD1 3.64Å; E241-L245 HydrophobicContact CG-CG 4.21Å; E241-L245 WeakPolarHBondContact O-CB 3.35Å; E241-L245 WeakPolarHBondContact O-CG 3.11Å; E241-L245 PolarHBondContact O-N 3.03Å
242	A	98.6	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-42.4	-175.1	0	0	0	0	0	112.5	Y109 I231 A238 M239 V240 A244 Y246 N247 V249 F330	Y109-A242 HydrophobicContact CE2-CB 4.32Å; I231-A242 HydrophobicContact CD1-CB 4.17Å; A238-A242 VanDerWaalsContact O-CB 3.31Å; A238-A242 WeakPolarHBondContact O-CB 3.36Å; A238-A242 PolarHBondContact O-N 2.93Å; M239-A242 PolarHBondContact O-N 3.49Å; V240-A242 PolarHBondContact O-N 3.04Å; A242-A244 VanDerWaalsContact C-N 3.33Å; A242-Y246 HydrophobicContact CB-CD2 4.44Å; A242-Y246 PolarHBondContact O-N 3.2Å; A242-N247 PolarHBondContact O-N 3.43Å; A242-N247 VanDerWaalsContact O-N 3.13Å; A242-V249 HydrophobicContact CB-CG2 3.68Å; A242-F330 HydrophobicContact CB-CD1 4.15Å; A242-F330 HydrophobicContact CB-CE1 3.7Å; A242-F330 HydrophobicContact CB-CZ 4.38Å
243	V	98.8	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-36.5	174	173.3	0	0	0	0	111.2	W122 M239 V240 E241 N247 V249 A285 Y288 W297	W122-V243 PolarHBondContact NE1-O 2.95Å; M239-V243 WeakPolarHBondContact O-CB 3.49Å; M239-V243 WeakPolarHBondContact O-CG2 3.08Å; M239-V243 PolarHBondContact O-N 3.1Å; V240-V243 PolarHBondContact O-N 3.18Å; E241-V243 PolarHBondContact O-N 3.2Å; V243-N247 WeakPolarHBondContact CA-O 3.33Å; V243-V249 HydrophobicContact CG2-CB 3.91Å; V243-V249 HydrophobicContact CG2-CG2 3.59Å; V243-A285 HydrophobicContact CG2-CB 4.17Å; V243-Y288 HydrophobicContact CB-CD1 4.29Å; V243-Y288 HydrophobicContact CB-CE1 4.42Å; V243-Y288 HydrophobicContact CG1-CD1 3.9Å; V243-Y288 HydrophobicContact CG1-CE1 4.21Å; V243-W297 HydrophobicContact CB-CZ3 4.23Å; V243-W297 HydrophobicContact CG2-CZ3 3.94Å
244	A	98.6	Very high	98.5	Very high	10 Å²	10	23.4 Å²	23.4	8%	0.083	11%	0.114	C	C	.	.	H	α-helix	trans	-71.7	-40.2	-178.9	0	0	0	0	0	113.7	M120 V240 E241 A242 Y288	M120-A244 WeakPolarHBondContact CE-O 3.19Å; M120-A244 HydrophobicContact CG-CB 4.26Å; V240-A244 WeakPolarHBondContact O-CB 3.31Å; V240-A244 PolarHBondContact O-N 3.04Å; E241-A244 PolarHBondContact O-N 3.24Å; E241-A244 VanDerWaalsContact O-N 3.13Å; A242-A244 VanDerWaalsContact C-N 3.33Å; A244-Y288 HydrophobicContact CB-CE1 4.08Å; A244-Y288 WeakPolarHBondContact CB-OH 3.23Å
245	L	98.1	Very high	98.6	Very high	91 Å²	91	19.6 Å²	19.6	48%	0.476	9%	0.094	S	C	.	.	H	α-helix	trans	-106.4	-28	-166.7	-58.9	-173.9	0	0	0	114.1	Y116 E241	Y116-L245 HydrophobicContact CE1-CD1 4.34Å; E241-L245 HydrophobicContact CG-CD1 3.64Å; E241-L245 HydrophobicContact CG-CG 4.21Å; E241-L245 WeakPolarHBondContact O-CB 3.35Å; E241-L245 WeakPolarHBondContact O-CG 3.11Å; E241-L245 PolarHBondContact O-N 3.03Å
246	Y	98.3	Very high	98.6	Very high	116 Å²	116	18.4 Å²	18.4	46%	0.455	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-67.8	-168.4	-54.7	-57.3	0	0	0	113	Y109 A242 F330	Y109-Y246 HydrophobicContact CE2-CD2 4.24Å; Y109-Y246 AromaticContact CE2-CE2 3.99Å; Y109-Y246 HydrophobicContact CE2-CE2 3.99Å; Y109-Y246 VanDerWaalsContact OH-CE2 3.31Å; Y109-Y246 WeakPolarHBondContact OH-CE2 3.5Å; A242-Y246 HydrophobicContact CB-CD2 4.44Å; A242-Y246 PolarHBondContact O-N 3.2Å; Y246-F330 HydrophobicContact CD2-CZ 4.19Å
247	N	97.9	Very high	98.6	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.032	10%	0.1	C	C	.	.			trans	-170.5	166	-169.7	65.5	165.6	0	0	0	111.8	A153 I156 A242 V243 F330 P331	A153-N247 HydrophobicContact CB-CB 4.5Å; I156-N247 HydrophobicContact CD1-CB 3.84Å; A242-N247 PolarHBondContact O-N 3.43Å; A242-N247 VanDerWaalsContact O-N 3.13Å; V243-N247 WeakPolarHBondContact CA-O 3.33Å; N247-F330 WeakPolarHBondContact ND2-CD2 3.46Å; N247-F330 VanDerWaalsContact ND2-CG 3.31Å; N247-F330 WeakPolarHBondContact ND2-CG 3.22Å; N247-F330 WeakPolarHBondContact OD1-CD2 3.31Å; N247-P331 PolarHBondContact OD1-O 3.26Å
248	P	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.			trans	-51	143.1	166.2	-30.7	39.5	0	0	0	113.3	W122 L284 A285 V286	W122-P248 HydrophobicContact CB-CG 4.07Å; W122-P248 HydrophobicContact CD2-CG 4.48Å; W122-P248 HydrophobicContact CG-CG 3.8Å; P248-L284 HydrophobicContact CB-CD1 3.78Å; P248-L284 HydrophobicContact CB-CD2 4.03Å; P248-L284 HydrophobicContact CB-CG 3.9Å; P248-A285 CarbonylContact C-O 3.6Å; P248-A285 WeakPolarHBondContact CA-O 3.47Å; P248-A285 WeakPolarHBondContact CB-O 3.38Å; P248-V286 HydrophobicContact CB-CG1 4.25Å; P248-V286 HydrophobicContact CG-CG1 4.4Å
249	V	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.9	-172.6	173.9	0	0	0	0	110.6	I231 A242 V243 A285 A328 F330	I231-V249 HydrophobicContact CD1-CG1 4.03Å; A242-V249 HydrophobicContact CB-CG2 3.68Å; V243-V249 HydrophobicContact CG2-CB 3.91Å; V243-V249 HydrophobicContact CG2-CG2 3.59Å; V249-A285 PolarHBondContact N-O 3.3Å; V249-A285 PolarHBondContact O-N 2.92Å; V249-A328 HydrophobicContact CG1-CB 3.87Å; V249-F330 HydrophobicContact CG2-CD1 4.16Å
250	S	98.9	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.4	171.2	-65.3	0	0	0	0	109.9	S145 A149 V283 A328 S329	S145-S250 PolarHBondContact O-OG 2.57Å; S145-S250 WeakPolarHBondContact OG-CB 3.31Å; S145-S250 PolarHBondContact OG-OG 3.03Å; A149-S250 WeakPolarHBondContact CB-OG 3.49Å; S250-V283 WeakPolarHBondContact CA-O 3.35Å; S250-A328 CarbonylContact O-C 3.54Å; S250-A328 VanDerWaalsContact O-CA 3.23Å; S250-A328 WeakPolarHBondContact O-CA 3.25Å; S250-S329 WeakPolarHBondContact CB-O 3.4Å; S250-S329 PolarHBondContact N-O 3Å; S250-S329 PolarHBondContact O-N 2.78Å
251	F	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.9	172.4	73	-90.7	0	0	0	111.2	M239 F253 A282 V283 A285 V299 L324 A328	M239-F251 HydrophobicContact CE-CB 3.96Å; M239-F251 HydrophobicContact CE-CD1 4.13Å; M239-F251 HydrophobicContact CE-CG 4.06Å; F251-F253 HydrophobicContact CD2-CD1 4.45Å; F251-F253 HydrophobicContact CE2-CB 4.26Å; F251-F253 AromaticContact CE2-CD1 3.84Å; F251-F253 HydrophobicContact CE2-CD1 3.84Å; F251-F253 HydrophobicContact CE2-CG 4.31Å; F251-A282 CarbonylContact O-C 3.55Å; F251-A282 WeakPolarHBondContact O-CA 3.43Å; F251-V283 HydrophobicContact CD1-CG2 4.17Å; F251-V283 HydrophobicContact CD2-CG2 3.98Å; F251-V283 HydrophobicContact CE1-CG2 3.67Å; F251-V283 HydrophobicContact CE2-CG2 3.45Å; F251-V283 VanDerWaalsContact CE2-CG2 3.45Å; F251-V283 HydrophobicContact CG-CG2 4.32Å; F251-V283 HydrophobicContact CZ-CG2 3.29Å; F251-V283 PolarHBondContact N-O 2.99Å; F251-V283 VanDerWaalsContact N-O 3.09Å; F251-V283 PolarHBondContact O-N 3.23Å; F251-A285 HydrophobicContact CD1-CB 3.94Å; F251-A285 HydrophobicContact CE1-CB 3.77Å; F251-V299 HydrophobicContact CE1-CG1 3.78Å; F251-V299 HydrophobicContact CE1-CG2 3.98Å; F251-V299 HydrophobicContact CZ-CB 4.46Å; F251-V299 HydrophobicContact CZ-CG1 3.73Å; F251-V299 HydrophobicContact CZ-CG2 3.83Å; F251-L324 WeakPolarHBondContact CB-O 3.38Å; F251-L324 HydrophobicContact CD2-CB 3.62Å; F251-L324 WeakPolarHBondContact CD2-O 3.39Å; F251-L324 HydrophobicContact CE2-CB 3.54Å; F251-L324 HydrophobicContact CZ-CB 4.46Å; F251-A328 HydrophobicContact CB-CB 4.09Å
252	A	98.9	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.6	174.4	0	0	0	0	0	111.1	W96 V279 H281 A282 L324	W96-A252 HydrophobicContact CH2-CB 3.7Å; W96-A252 HydrophobicContact CZ3-CB 4.26Å; A252-V279 HydrophobicContact CB-CB 4.02Å; A252-V279 HydrophobicContact CB-CG2 3.93Å; A252-H281 CarbonylContact C-O 3.56Å; A252-H281 WeakPolarHBondContact CA-O 3.29Å; A252-A282 HydrophobicContact CB-CB 4.41Å; A252-L324 WeakPolarHBondContact O-CA 3.41Å
253	F	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	167.6	177.1	74	-73.1	0	0	0	110.5	F251 V255 F259 N280 H281 V283 F313 I315 C322 L324	F251-F253 HydrophobicContact CD2-CD1 4.45Å; F251-F253 HydrophobicContact CE2-CB 4.26Å; F251-F253 AromaticContact CE2-CD1 3.84Å; F251-F253 HydrophobicContact CE2-CD1 3.84Å; F251-F253 HydrophobicContact CE2-CG 4.31Å; F253-V255 HydrophobicContact CD2-CG2 4.49Å; F253-V255 HydrophobicContact CE1-CG2 4.34Å; F253-V255 HydrophobicContact CE2-CG2 3.7Å; F253-V255 HydrophobicContact CZ-CG2 3.6Å; F253-F259 HydrophobicContact CE2-CD1 4.25Å; F253-F259 HydrophobicContact CE2-CD2 4.12Å; F253-F259 HydrophobicContact CE2-CE1 4.09Å; F253-F259 AromaticContact CE2-CE2 3.95Å; F253-F259 HydrophobicContact CE2-CE2 3.95Å; F253-F259 HydrophobicContact CE2-CG 4.25Å; F253-F259 AromaticContact CE2-CZ 3.92Å; F253-F259 HydrophobicContact CE2-CZ 3.92Å; F253-F259 HydrophobicContact CZ-CD1 4.18Å; F253-F259 HydrophobicContact CZ-CD2 4.47Å; F253-F259 AromaticContact CZ-CE1 3.6Å; F253-F259 HydrophobicContact CZ-CE1 3.6Å; F253-F259 AromaticContact CZ-CE2 3.93Å; F253-F259 HydrophobicContact CZ-CE2 3.93Å; F253-F259 AromaticContact CZ-CZ 3.45Å; F253-F259 HydrophobicContact CZ-CZ 3.45Å; F253-F259 VanDerWaalsContact CZ-CZ 3.45Å; F253-N280 PolarHBondContact O-N 2.81Å; F253-N280 PolarHBondContact O-OD1 3.38Å; F253-H281 HydrophobicContact CE1-CB 4.4Å; F253-H281 AromaticContact CE1-CD2 3.75Å; F253-H281 PolarHBondContact N-O 3.18Å; F253-H281 PolarHBondContact O-N 3.32Å; F253-V283 HydrophobicContact CD1-CG2 3.79Å; F253-V283 HydrophobicContact CE1-CB 4.41Å; F253-V283 HydrophobicContact CE1-CG1 3.85Å; F253-V283 HydrophobicContact CE1-CG2 3.64Å; F253-F313 AromaticContact CE1-CZ 3.99Å; F253-F313 HydrophobicContact CE1-CZ 3.99Å; F253-F313 HydrophobicContact CZ-CE2 4.42Å; F253-F313 AromaticContact CZ-CZ 3.94Å; F253-F313 HydrophobicContact CZ-CZ 3.94Å; F253-I315 HydrophobicContact CD2-CD1 4.48Å; F253-C322 CarbonylContact C-O 3.51Å; F253-C322 VanDerWaalsContact CA-O 3.31Å; F253-C322 WeakPolarHBondContact CA-O 3.31Å; F253-C322 HydrophobicContact CB-CB 4.22Å; F253-C322 WeakPolarHBondContact CB-O 3.45Å; F253-C322 HydrophobicContact CD2-CB 3.95Å; F253-L324 HydrophobicContact CB-CB 4.2Å
254	E	98.8	Very high	98.5	Very high	25 Å²	25	27.9 Å²	27.9	12%	0.117	13%	0.133	C	C	.	.			trans	-83.8	115.5	172.8	-174.7	179.2	-157.3	0	0	110.7	T256 H273 K278 C322	E254-T256 HydrophobicContact CG-CG2 4.34Å; E254-H273 IonicContact OE1-CE1 2.91Å; E254-H273 IonicContact OE1-ND1 3.75Å; E254-H273 PolarHBondContact OE1-ND1 2.7Å; E254-H273 VanDerWaalsContact OE1-ND1 3.15Å; E254-H273 WeakPolarHBondContact OE2-CA 3.38Å; E254-H273 VanDerWaalsContact OE2-CB 3.25Å; E254-H273 WeakPolarHBondContact OE2-CB 3.3Å; E254-H273 IonicContact OE2-CG 3.51Å; E254-H273 PolarHBondContact OE2-N 3.15Å; E254-H273 IonicContact OE2-ND1 3.74Å; E254-H273 PolarHBondContact OE2-ND1 2.93Å; E254-K278 WeakPolarHBondContact CB-O 3.45Å; E254-K278 WeakPolarHBondContact CG-O 3.41Å; E254-C322 PolarHBondContact N-O 3.23Å; E254-C322 WeakPolarHBondContact O-CB 3.45Å
255	V	98.6	Very high	98.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.139	C	C	.	.			trans	-78.4	132	165.5	170.2	0	0	0	0	109.5	F87 L95 F253 F259 N280 H281 W303	F87-V255 HydrophobicContact CE2-CG1 4.16Å; F87-V255 WeakPolarHBondContact CZ-O 3.17Å; L95-V255 HydrophobicContact CD1-CB 4.09Å; L95-V255 HydrophobicContact CD1-CG1 4.08Å; L95-V255 HydrophobicContact CD2-CB 4.09Å; L95-V255 HydrophobicContact CD2-CG1 4.21Å; L95-V255 HydrophobicContact CD2-CG2 4.24Å; F253-V255 HydrophobicContact CD2-CG2 4.49Å; F253-V255 HydrophobicContact CE1-CG2 4.34Å; F253-V255 HydrophobicContact CE2-CG2 3.7Å; F253-V255 HydrophobicContact CZ-CG2 3.6Å; V255-F259 HydrophobicContact CB-CD1 4.36Å; V255-F259 HydrophobicContact CG1-CB 4.32Å; V255-F259 HydrophobicContact CG1-CD1 3.89Å; V255-F259 HydrophobicContact CG2-CD1 3.8Å; V255-F259 HydrophobicContact CG2-CE1 4.08Å; V255-N280 WeakPolarHBondContact CB-OD1 3.31Å; V255-N280 PolarHBondContact N-OD1 3.38Å; V255-N280 PolarHBondContact O-ND2 2.82Å; V255-H281 HydrophobicContact CB-CB 4.46Å; V255-H281 HydrophobicContact CG2-CB 3.48Å; V255-H281 VanDerWaalsContact CG2-CB 3.48Å; V255-W303 HydrophobicContact CG1-CH2 4.09Å; V255-W303 HydrophobicContact CG2-CH2 4.26Å
256	T	98	Very high	98.6	Very high	17 Å²	17	24.4 Å²	24.4	10%	0.104	12%	0.118	C	C	.	.			trans	-117.6	173.3	171	49.1	0	0	0	0	111.4	E254 D258 F259 M260 Y267 C272	E254-T256 HydrophobicContact CG-CG2 4.34Å; T256-D258 VanDerWaalsContact C-N 3.31Å; T256-D258 WeakPolarHBondContact CB-OD1 3.33Å; T256-D258 PolarHBondContact O-N 3.44Å; T256-D258 PolarHBondContact OG1-OD1 3.25Å; T256-F259 WeakPolarHBondContact O-CB 3.23Å; T256-F259 PolarHBondContact O-N 3.2Å; T256-F259 VanDerWaalsContact O-N 3.15Å; T256-M260 PolarHBondContact O-N 3.33Å; T256-Y267 PolarHBondContact OG1-OH 3.2Å; T256-C272 HydrophobicContact CG2-CB 4.03Å
257	A	97.8	Very high	98.6	Very high	41 Å²	41	18.9 Å²	18.9	34%	0.339	10%	0.097	S	C	.	.	H	α-helix	trans	-59.4	-35.3	-172.9	0	0	0	0	0	114.3	F87 M260	F87-A257 HydrophobicContact CB-CB 3.9Å; F87-A257 HydrophobicContact CD1-CB 4.33Å; F87-A257 HydrophobicContact CD2-CB 4.01Å; F87-A257 HydrophobicContact CG-CB 3.81Å; A257-M260 WeakPolarHBondContact O-CB 3.23Å
258	D	97.8	Very high	98.6	Very high	34 Å²	34	20.1 Å²	20.1	18%	0.182	11%	0.106	C	C	.	.	H	α-helix	trans	-68.7	-37.3	176.9	62.6	-34.9	0	0	0	112.6	T256 M260 M261 Y262 Y267	T256-D258 VanDerWaalsContact C-N 3.31Å; T256-D258 WeakPolarHBondContact CB-OD1 3.33Å; T256-D258 PolarHBondContact O-N 3.44Å; T256-D258 PolarHBondContact OG1-OD1 3.25Å; D258-M260 VanDerWaalsContact C-N 3.32Å; D258-M260 PolarHBondContact O-N 2.62Å; D258-M261 PolarHBondContact O-N 2.04Å; D258-M261 VanDerWaalsContact O-N 3.16Å; D258-Y262 PolarHBondContact O-N 2.92Å; D258-Y267 PolarHBondContact OD1-OH 3.29Å; D258-Y267 VanDerWaalsContact OD1-OH 3.05Å; D258-Y267 VanDerWaalsContact OD2-CE2 3.28Å; D258-Y267 WeakPolarHBondContact OD2-CE2 3.42Å; D258-Y267 PolarHBondContact OD2-OH 2.99Å
259	F	98.8	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-38.6	177.4	-175.4	-95	0	0	0	112.1	F253 V255 T256 M261 Y262 Y267 W303 W307 F313	F253-F259 HydrophobicContact CE2-CD1 4.25Å; F253-F259 HydrophobicContact CE2-CD2 4.12Å; F253-F259 HydrophobicContact CE2-CE1 4.09Å; F253-F259 AromaticContact CE2-CE2 3.95Å; F253-F259 HydrophobicContact CE2-CE2 3.95Å; F253-F259 HydrophobicContact CE2-CG 4.25Å; F253-F259 AromaticContact CE2-CZ 3.92Å; F253-F259 HydrophobicContact CE2-CZ 3.92Å; F253-F259 HydrophobicContact CZ-CD1 4.18Å; F253-F259 HydrophobicContact CZ-CD2 4.47Å; F253-F259 AromaticContact CZ-CE1 3.6Å; F253-F259 HydrophobicContact CZ-CE1 3.6Å; F253-F259 AromaticContact CZ-CE2 3.93Å; F253-F259 HydrophobicContact CZ-CE2 3.93Å; F253-F259 AromaticContact CZ-CZ 3.45Å; F253-F259 HydrophobicContact CZ-CZ 3.45Å; F253-F259 VanDerWaalsContact CZ-CZ 3.45Å; V255-F259 HydrophobicContact CB-CD1 4.36Å; V255-F259 HydrophobicContact CG1-CB 4.32Å; V255-F259 HydrophobicContact CG1-CD1 3.89Å; V255-F259 HydrophobicContact CG2-CD1 3.8Å; V255-F259 HydrophobicContact CG2-CE1 4.08Å; T256-F259 WeakPolarHBondContact O-CB 3.23Å; T256-F259 PolarHBondContact O-N 3.2Å; T256-F259 VanDerWaalsContact O-N 3.15Å; F259-M261 PolarHBondContact O-N 3.41Å; F259-M261 VanDerWaalsContact O-N 3.08Å; F259-Y262 WeakPolarHBondContact O-CB 3.48Å; F259-Y262 PolarHBondContact O-N 2.94Å; F259-Y267 HydrophobicContact CB-CE1 4.3Å; F259-Y267 HydrophobicContact CB-CE2 3.96Å; F259-Y267 AromaticContact CD2-CD1 3.65Å; F259-Y267 HydrophobicContact CD2-CD1 3.65Å; F259-Y267 AromaticContact CD2-CD2 3.98Å; F259-Y267 HydrophobicContact CD2-CD2 3.98Å; F259-Y267 AromaticContact CD2-CE1 3.61Å; F259-Y267 HydrophobicContact CD2-CE1 3.61Å; F259-Y267 AromaticContact CD2-CE2 3.95Å; F259-Y267 HydrophobicContact CD2-CE2 3.95Å; F259-Y267 AromaticContact CD2-CG 3.84Å; F259-Y267 HydrophobicContact CD2-CG 3.84Å; F259-Y267 AromaticContact CD2-CZ 3.79Å; F259-Y267 HydrophobicContact CE2-CD1 4.13Å; F259-Y267 HydrophobicContact CE2-CE1 4.44Å; F259-Y267 HydrophobicContact CE2-CG 4.31Å; F259-Y267 HydrophobicContact CG-CE1 4.38Å; F259-Y267 HydrophobicContact CG-CE2 4.48Å; F259-W303 AromaticContact CD1-CH2 3.92Å; F259-W303 HydrophobicContact CD1-CH2 3.92Å; F259-W303 AromaticContact CD1-CZ3 3.96Å; F259-W303 HydrophobicContact CD1-CZ3 3.96Å; F259-W303 AromaticContact CE1-CH2 3.85Å; F259-W303 HydrophobicContact CE1-CH2 3.85Å; F259-W303 AromaticContact CE1-CZ3 3.77Å; F259-W303 HydrophobicContact CE1-CZ3 3.77Å; F259-W307 HydrophobicContact CD1-CZ2 4.21Å; F259-W307 AromaticContact CE1-CH2 3.73Å; F259-W307 HydrophobicContact CE1-CH2 3.73Å; F259-W307 AromaticContact CE1-CZ2 3.67Å; F259-W307 HydrophobicContact CE1-CZ2 3.67Å; F259-W307 HydrophobicContact CE2-CH2 4.19Å; F259-W307 AromaticContact CZ-CH2 3.47Å; F259-W307 HydrophobicContact CZ-CH2 3.47Å; F259-W307 VanDerWaalsContact CZ-CH2 3.47Å; F259-W307 AromaticContact CZ-CZ2 3.86Å; F259-W307 HydrophobicContact CZ-CZ2 3.86Å; F259-F313 HydrophobicContact CE2-CD1 4.48Å; F259-F313 AromaticContact CE2-CD2 3.61Å; F259-F313 HydrophobicContact CE2-CD2 3.61Å; F259-F313 HydrophobicContact CE2-CE1 4.49Å; F259-F313 AromaticContact CE2-CE2 3.63Å; F259-F313 HydrophobicContact CE2-CE2 3.63Å; F259-F313 HydrophobicContact CE2-CG 4.04Å; F259-F313 HydrophobicContact CE2-CZ 4.07Å; F259-F313 AromaticContact CZ-CD1 3.95Å; F259-F313 HydrophobicContact CZ-CD1 3.95Å; F259-F313 AromaticContact CZ-CD2 3.88Å; F259-F313 HydrophobicContact CZ-CD2 3.88Å; F259-F313 AromaticContact CZ-CE1 3.81Å; F259-F313 HydrophobicContact CZ-CE1 3.81Å; F259-F313 AromaticContact CZ-CE2 3.74Å; F259-F313 HydrophobicContact CZ-CE2 3.74Å; F259-F313 AromaticContact CZ-CG 3.96Å; F259-F313 HydrophobicContact CZ-CG 3.96Å; F259-F313 AromaticContact CZ-CZ 3.68Å; F259-F313 HydrophobicContact CZ-CZ 3.68Å
260	M	97.8	Very high	98.4	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-51.9	-33.9	175.6	166.6	179.9	125.1	0	0	112.1	N80 F82 M85 L90 T256 A257 D258 W307	N80-M260 PolarHBondContact ND2-O 3.07Å; F82-M260 HydrophobicContact CB-CE 3.74Å; F82-M260 HydrophobicContact CB-CG 3.7Å; F82-M260 HydrophobicContact CB-SD 3.91Å; F82-M260 HydrophobicContact CD2-CG 4.1Å; F82-M260 HydrophobicContact CG-CG 4.13Å; F82-M260 WeakPolarHBondContact O-CE 3.43Å; M85-M260 WeakPolarHBondContact O-CE 3.31Å; L90-M260 HydrophobicContact CB-SD 3.89Å; L90-M260 HydrophobicContact CD1-CB 4.07Å; L90-M260 HydrophobicContact CD1-CG 3.45Å; L90-M260 VanDerWaalsContact CD1-CG 3.45Å; L90-M260 HydrophobicContact CD1-SD 3.26Å; L90-M260 WeakPolarHBondContact CD1-SD 3.49Å; L90-M260 HydrophobicContact CG-SD 4.07Å; T256-M260 PolarHBondContact O-N 3.33Å; A257-M260 WeakPolarHBondContact O-CB 3.23Å; D258-M260 VanDerWaalsContact C-N 3.32Å; D258-M260 PolarHBondContact O-N 2.62Å; M260-W307 PolarHBondContact O-NE1 2.93Å; M260-W307 VanDerWaalsContact O-NE1 3.13Å
261	M	98.7	Very high	98.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.8	-179.1	-59.3	-53.9	-162.7	0	0	114.2	N61 I65 M77 G78 D258 F259 R263	N61-M261 HydrophobicContact CB-CE 3.54Å; N61-M261 VanDerWaalsContact ND2-CE 3.29Å; N61-M261 WeakPolarHBondContact ND2-CE 3.35Å; I65-M261 HydrophobicContact CD1-CG 4.39Å; I65-M261 HydrophobicContact CD1-SD 4.38Å; I65-M261 HydrophobicContact CG1-CB 4.31Å; I65-M261 HydrophobicContact CG1-CG 4.44Å; M77-M261 CarbonylContact C-O 3.52Å; M77-M261 WeakPolarHBondContact CA-O 3.38Å; M77-M261 HydrophobicContact CB-CB 4.07Å; M77-M261 WeakPolarHBondContact CB-O 3.4Å; M77-M261 HydrophobicContact CE-CB 3.44Å; M77-M261 VanDerWaalsContact CE-CB 3.44Å; M77-M261 HydrophobicContact CE-CG 3.88Å; M77-M261 HydrophobicContact CG-CB 4.16Å; G78-M261 PolarHBondContact N-O 2.93Å; D258-M261 PolarHBondContact O-N 2.04Å; D258-M261 VanDerWaalsContact O-N 3.16Å; F259-M261 PolarHBondContact O-N 3.41Å; F259-M261 VanDerWaalsContact O-N 3.08Å; M261-R263 PolarHBondContact O-N 2.9Å
262	Y	98.8	Very high	98.3	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	135.3	178.4	171.9	-89.3	0	0	0	111.8	F75 D258 F259 G265 Y267 W307 M309 F313 L314	F75-Y262 HydrophobicContact CB-CD2 4.27Å; F75-Y262 HydrophobicContact CB-CE2 4.06Å; F75-Y262 AromaticContact CD2-CD2 3.94Å; F75-Y262 HydrophobicContact CD2-CD2 3.94Å; F75-Y262 HydrophobicContact CG-CD2 4.4Å; D258-Y262 PolarHBondContact O-N 2.92Å; F259-Y262 WeakPolarHBondContact O-CB 3.48Å; F259-Y262 PolarHBondContact O-N 2.94Å; Y262-G265 VanDerWaalsContact CE2-O 3.25Å; Y262-G265 WeakPolarHBondContact CE2-O 3.45Å; Y262-G265 PolarHBondContact OH-N 2.87Å; Y262-G265 PolarHBondContact OH-O 3.4Å; Y262-Y267 HydrophobicContact CD2-CD2 4.3Å; Y262-W307 AromaticContact CD1-CH2 3.81Å; Y262-W307 HydrophobicContact CD1-CH2 3.81Å; Y262-W307 HydrophobicContact CD1-CZ2 4.07Å; Y262-W307 HydrophobicContact CD1-CZ3 4.31Å; Y262-W307 HydrophobicContact CG-CH2 4.4Å; Y262-W307 HydrophobicContact CG-CZ2 4.4Å; Y262-M309 HydrophobicContact CE1-CG 4.28Å; Y262-M309 PolarHBondContact OH-SD 2.78Å; Y262-M309 VanDerWaalsContact OH-SD 3.33Å; Y262-F313 HydrophobicContact CD1-CB 3.7Å; Y262-F313 HydrophobicContact CE1-CB 3.26Å; Y262-F313 HydrophobicContact CE2-CB 4.38Å; Y262-F313 HydrophobicContact CG-CB 4.43Å; Y262-L314 PolarHBondContact OH-N 3.27Å; Y262-L314 VanDerWaalsContact OH-N 3.12Å
263	R	98.8	Very high	98.3	Very high	119 Å²	119	36.8 Å²	36.8	45%	0.449	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-45.5	178.1	-178.4	61.6	-173.8	89	-5.5	114.2	K76 M261 G308	K76-R263 WeakPolarHBondContact O-CB 3.42Å; K76-R263 PolarHBondContact O-N 2.99Å; M261-R263 PolarHBondContact O-N 2.9Å; R263-G308 PolarHBondContact NH1-O 3.18Å; R263-G308 CarbonylContact O-C 3.51Å
264	K	98.8	Very high	98.2	Very high	120 Å²	120	40.8 Å²	40.8	52%	0.522	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	163.8	-179.1	62.4	178.6	-176.4	177.2	0	112.3	F75 K76 M309	F75-K264 CarbonylContact C-O 3.57Å; F75-K264 VanDerWaalsContact CA-O 3.29Å; F75-K264 WeakPolarHBondContact CA-O 3.3Å; F75-K264 WeakPolarHBondContact CB-O 3.45Å; K76-K264 HydrophobicContact CB-CG 4.25Å; K76-K264 PolarHBondContact N-O 3.45Å; K76-K264 PolarHBondContact O-N 3.39Å; K264-M309 HydrophobicContact CB-CG 3.92Å; K264-M309 HydrophobicContact CB-SD 4.09Å
265	G	98.7	Very high	98.2	Very high	21 Å²	21	42.5 Å²	42.5	22%	0.216	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.8	-171.9	180	0	0	0	0	0	112.3	T74 Y262 Y267 L314	T74-G265 CarbonylContact O-C 3.58Å; T74-G265 WeakPolarHBondContact O-CA 3.18Å; Y262-G265 VanDerWaalsContact CE2-O 3.25Å; Y262-G265 WeakPolarHBondContact CE2-O 3.45Å; Y262-G265 PolarHBondContact OH-N 2.87Å; Y262-G265 PolarHBondContact OH-O 3.4Å; G265-Y267 PolarHBondContact O-N 3.32Å; G265-L314 WeakPolarHBondContact O-CB 3.02Å
266	I	98.9	Very high	98.1	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.7	-175.3	-56.6	169.9	0	0	0	109.2	T74 E291 I294 Y296 L314 E316	T74-I266 CarbonylContact C-O 3.2Å; T74-I266 WeakPolarHBondContact CB-O 3.43Å; T74-I266 PolarHBondContact O-N 2.96Å; T74-I266 PolarHBondContact OG1-O 2.85Å; I266-E291 HydrophobicContact CD1-CB 4.27Å; I266-I294 HydrophobicContact CD1-CB 3.71Å; I266-I294 HydrophobicContact CD1-CG2 3.67Å; I266-I294 HydrophobicContact CG2-CG2 4.01Å; I266-Y296 HydrophobicContact CD1-CD1 3.7Å; I266-Y296 HydrophobicContact CD1-CG 4.35Å; I266-Y296 HydrophobicContact CG1-CD1 4.05Å; I266-Y296 HydrophobicContact CG1-CG 4.32Å; I266-L314 HydrophobicContact CG1-CB 4.35Å; I266-L314 HydrophobicContact CG1-CD1 4.36Å; I266-E316 HydrophobicContact CG2-CB 3.96Å
267	Y	98.9	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.6	177.4	-179.4	-103.2	0	0	0	111.1	F75 T256 D258 F259 Y262 G265 S269 L314 I315 E316	F75-Y267 HydrophobicContact CD1-CD2 4.17Å; F75-Y267 HydrophobicContact CD2-CD2 4.1Å; F75-Y267 AromaticContact CE1-CD2 3.93Å; F75-Y267 HydrophobicContact CE1-CD2 3.93Å; F75-Y267 HydrophobicContact CE1-CE2 4.22Å; F75-Y267 AromaticContact CE2-CD2 3.85Å; F75-Y267 HydrophobicContact CE2-CD2 3.85Å; F75-Y267 HydrophobicContact CE2-CE2 4.14Å; F75-Y267 HydrophobicContact CG-CD2 4.24Å; F75-Y267 AromaticContact CZ-CD2 3.75Å; F75-Y267 HydrophobicContact CZ-CD2 3.75Å; F75-Y267 AromaticContact CZ-CE2 3.8Å; F75-Y267 HydrophobicContact CZ-CE2 3.8Å; T256-Y267 PolarHBondContact OG1-OH 3.2Å; D258-Y267 PolarHBondContact OD1-OH 3.29Å; D258-Y267 VanDerWaalsContact OD1-OH 3.05Å; D258-Y267 VanDerWaalsContact OD2-CE2 3.28Å; D258-Y267 WeakPolarHBondContact OD2-CE2 3.42Å; D258-Y267 PolarHBondContact OD2-OH 2.99Å; F259-Y267 HydrophobicContact CB-CE1 4.3Å; F259-Y267 HydrophobicContact CB-CE2 3.96Å; F259-Y267 AromaticContact CD2-CD1 3.65Å; F259-Y267 HydrophobicContact CD2-CD1 3.65Å; F259-Y267 AromaticContact CD2-CD2 3.98Å; F259-Y267 HydrophobicContact CD2-CD2 3.98Å; F259-Y267 AromaticContact CD2-CE1 3.61Å; F259-Y267 HydrophobicContact CD2-CE1 3.61Å; F259-Y267 AromaticContact CD2-CE2 3.95Å; F259-Y267 HydrophobicContact CD2-CE2 3.95Å; F259-Y267 AromaticContact CD2-CG 3.84Å; F259-Y267 HydrophobicContact CD2-CG 3.84Å; F259-Y267 AromaticContact CD2-CZ 3.79Å; F259-Y267 HydrophobicContact CE2-CD1 4.13Å; F259-Y267 HydrophobicContact CE2-CE1 4.44Å; F259-Y267 HydrophobicContact CE2-CG 4.31Å; F259-Y267 HydrophobicContact CG-CE1 4.38Å; F259-Y267 HydrophobicContact CG-CE2 4.48Å; Y262-Y267 HydrophobicContact CD2-CD2 4.3Å; G265-Y267 PolarHBondContact O-N 3.32Å; Y267-S269 VanDerWaalsContact OH-CB 3.31Å; Y267-S269 WeakPolarHBondContact OH-CB 3.14Å; Y267-L314 VanDerWaalsContact CB-O 3.24Å; Y267-L314 WeakPolarHBondContact CB-O 3.27Å; Y267-L314 PolarHBondContact N-O 2.97Å; Y267-I315 HydrophobicContact CD1-CD1 3.97Å; Y267-I315 HydrophobicContact CD1-CG1 4.04Å; Y267-I315 WeakPolarHBondContact O-CA 3.3Å; Y267-E316 PolarHBondContact O-N 3.37Å
268	S	98.4	Very high	98	Very high	33 Å²	33	48.6 Å²	48.6	23%	0.231	26%	0.258	C	S	.	.			trans	-153	142.7	173.5	61.8	0	0	0	0	107.9
269	S	97.9	Very high	98.1	Very high	14 Å²	14	47.1 Å²	47.1	10%	0.098	25%	0.25	C	S	.	.			trans	-137.4	142.5	176.6	169.9	0	0	0	0	111	Y267 S271 C272 M321	Y267-S269 VanDerWaalsContact OH-CB 3.31Å; Y267-S269 WeakPolarHBondContact OH-CB 3.14Å; S269-S271 PolarHBondContact OG-N 2.9Å; S269-S271 PolarHBondContact OG-OG 3.3Å; S269-C272 PolarHBondContact OG-N 2.78Å; S269-M321 PolarHBondContact N-SD 3.23Å; S269-M321 VanDerWaalsContact O-SD 3.36Å
270	T	96.1	Very high	98	Very high	155 Å²	155	47.8 Å²	47.8	95%	0.951	25%	0.254	S	S	*	.	S	Bend	trans	-94.9	-6.1	171.6	57.7	0	0	0	0	112.3
271	S	96.6	Very high	98.1	Very high	75 Å²	75	47.6 Å²	47.6	52%	0.524	25%	0.253	S	S	.	.	S	Bend	trans	-100.9	-22.1	-178.2	60.1	0	0	0	0	113.5	S269	S269-S271 PolarHBondContact OG-N 2.9Å; S269-S271 PolarHBondContact OG-OG 3.3Å
272	C	98.3	Very high	98.1	Very high	11 Å²	11	47.6 Å²	47.6	7%	0.074	25%	0.253	C	S	.	.	S	Bend	trans	-71.9	137.8	173	65.7	0	0	0	0	110.7	T256 S269 C322	T256-C272 HydrophobicContact CG2-CB 4.03Å; S269-C272 PolarHBondContact OG-N 2.78Å; C272-C322 HydrophobicContact CB-CB 3.62Å; C272-C322 WeakPolarHBondContact CB-SG 3.4Å; C272-C322 WeakPolarHBondContact SG-CA 3.34Å; C272-C322 WeakPolarHBondContact SG-CB 3.16Å; C272-C322 PolarHBondContact SG-N 2.95Å; C272-C322 VanDerWaalsContact SG-N 3.41Å; C272-C322 CovalentContact SG-SG 2.05Å; C272-C322 PolarHBondContact SG-SG 2.84Å
273	H	98.4	Very high	98.1	Very high	95 Å²	95	47.7 Å²	47.7	44%	0.44	25%	0.254	S	S	.	.			trans	-72.8	165.5	172	-51.8	84.6	0	0	0	110.3	E254 K278 C322 G323	E254-H273 IonicContact OE1-CE1 2.91Å; E254-H273 IonicContact OE1-ND1 3.75Å; E254-H273 PolarHBondContact OE1-ND1 2.7Å; E254-H273 VanDerWaalsContact OE1-ND1 3.15Å; E254-H273 WeakPolarHBondContact OE2-CA 3.38Å; E254-H273 VanDerWaalsContact OE2-CB 3.25Å; E254-H273 WeakPolarHBondContact OE2-CB 3.3Å; E254-H273 IonicContact OE2-CG 3.51Å; E254-H273 PolarHBondContact OE2-N 3.15Å; E254-H273 IonicContact OE2-ND1 3.74Å; E254-H273 PolarHBondContact OE2-ND1 2.93Å; H273-K278 HydrophobicContact CB-CB 3.79Å; H273-K278 HydrophobicContact CB-CG 3.63Å; H273-C322 CarbonylContact O-C 3.6Å; H273-C322 VanDerWaalsContact O-CA 3.23Å; H273-C322 WeakPolarHBondContact O-CA 3.34Å; H273-G323 PolarHBondContact O-N 3.13Å
274	K	98.2	Very high	98.1	Very high	83 Å²	83	42.2 Å²	42.2	36%	0.361	23%	0.234	S	C	.	.			trans	-118.8	13.6	-178.7	-57.6	178.3	178.2	-80.1	0	113	K319 N320	K274-K319 PolarHBondContact NZ-O 3.4Å; K274-N320 WeakPolarHBondContact CG-O 3.16Å; K274-N320 PolarHBondContact NZ-O 3Å; K274-N320 PolarHBondContact O-ND2 3.12Å
275	T	97.4	Very high	98.1	Very high	62 Å²	62	36.5 Å²	36.5	38%	0.38	21%	0.209	S	C	.	.	S	Bend	trans	-102.6	149.2	-171.8	57	0	0	0	0	111.8	D277 K278	T275-D277 WeakPolarHBondContact CB-OD1 3.29Å; T275-D277 PolarHBondContact O-N 3.36Å; T275-D277 PolarHBondContact OG1-OD1 2.91Å; T275-K278 PolarHBondContact O-N 3.27Å; T275-K278 VanDerWaalsContact O-N 3.11Å; T275-K278 WeakPolarHBondContact OG1-CG 3.3Å
276	P	96.9	Very high	98.1	Very high	22 Å²	22	35.5 Å²	35.5	14%	0.143	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.8	-177.1	-25.5	34.5	0	0	0	114.7	C102 L233 K278 V279 A326	C102-P276 HydrophobicContact CB-CB 3.96Å; L233-P276 HydrophobicContact CD1-CG 3.45Å; L233-P276 VanDerWaalsContact CD1-CG 3.45Å; P276-K278 PolarHBondContact O-N 3.39Å; P276-V279 WeakPolarHBondContact O-CG2 3.45Å; P276-A326 HydrophobicContact CB-CB 4.25Å; P276-A326 HydrophobicContact CG-CB 4.04Å
277	D	96.6	Very high	98.1	Very high	80 Å²	80	35.2 Å²	35.2	43%	0.428	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.4	-179	68.3	-63.6	0	0	0	113.6	T275	T275-D277 WeakPolarHBondContact CB-OD1 3.29Å; T275-D277 PolarHBondContact O-N 3.36Å; T275-D277 PolarHBondContact OG1-OD1 2.91Å
278	K	98.1	Very high	98.2	Very high	84 Å²	84	35.4 Å²	35.4	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-17.4	-177.5	-60.3	-60.2	-177.1	-155.5	0	113.7	E254 H273 T275 P276 N280	E254-K278 WeakPolarHBondContact CB-O 3.45Å; E254-K278 WeakPolarHBondContact CG-O 3.41Å; H273-K278 HydrophobicContact CB-CB 3.79Å; H273-K278 HydrophobicContact CB-CG 3.63Å; T275-K278 PolarHBondContact O-N 3.27Å; T275-K278 VanDerWaalsContact O-N 3.11Å; T275-K278 WeakPolarHBondContact OG1-CG 3.3Å; P276-K278 PolarHBondContact O-N 3.39Å; K278-N280 PolarHBondContact O-N 2.84Å
279	V	98.4	Very high	98.2	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	19%	0.187	C	C	.	.			trans	-61.9	136.6	176.4	-57.5	0	0	0	0	109.9	W96 C102 A252 P276 A326	W96-V279 HydrophobicContact CZ3-CG2 4.04Å; C102-V279 HydrophobicContact CB-CG2 3.99Å; A252-V279 HydrophobicContact CB-CB 4.02Å; A252-V279 HydrophobicContact CB-CG2 3.93Å; P276-V279 WeakPolarHBondContact O-CG2 3.45Å; V279-A326 HydrophobicContact CG1-CB 4.29Å
280	N	98.6	Very high	98.2	Very high	14 Å²	14	38.9 Å²	38.9	8%	0.075	21%	0.209	C	C	.	.			trans	-142.1	3.8	-169.3	64.5	21.2	0	0	0	113.6	W96 F253 V255 K278	W96-N280 PolarHBondContact N-O 2.95Å; W96-N280 VanDerWaalsContact N-O 3.14Å; F253-N280 PolarHBondContact O-N 2.81Å; F253-N280 PolarHBondContact O-OD1 3.38Å; V255-N280 WeakPolarHBondContact CB-OD1 3.31Å; V255-N280 PolarHBondContact N-OD1 3.38Å; V255-N280 PolarHBondContact O-ND2 2.82Å; K278-N280 PolarHBondContact O-N 2.84Å
281	H	98.9	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	133.9	-178.8	-167.4	58.2	0	0	0	110.5	L95 C141 A252 F253 V255 V283 N301 W303	L95-H281 HydrophobicContact CD2-CB 4.14Å; C141-H281 WeakPolarHBondContact CB-CE1 3.31Å; C141-H281 VanDerWaalsContact CB-ND1 3.27Å; C141-H281 WeakPolarHBondContact CB-ND1 3.41Å; C141-H281 PolarHBondContact SG-ND1 3.42Å; A252-H281 CarbonylContact C-O 3.56Å; A252-H281 WeakPolarHBondContact CA-O 3.29Å; F253-H281 HydrophobicContact CE1-CB 4.4Å; F253-H281 AromaticContact CE1-CD2 3.75Å; F253-H281 PolarHBondContact N-O 3.18Å; F253-H281 PolarHBondContact O-N 3.32Å; V255-H281 HydrophobicContact CB-CB 4.46Å; V255-H281 HydrophobicContact CG2-CB 3.48Å; V255-H281 VanDerWaalsContact CG2-CB 3.48Å; H281-V283 VanDerWaalsContact CD2-CG1 3.5Å; H281-V283 WeakPolarHBondContact CD2-CG1 3.35Å; H281-N301 PolarHBondContact NE2-OD1 2.98Å; H281-W303 AromaticContact CE1-CE2 3.73Å; H281-W303 AromaticContact CE1-CZ2 3.73Å; H281-W303 AromaticContact CE1-NE1 3.48Å; H281-W303 PolarHBondContact CE1-NE1 2.96Å; H281-W303 AromaticContact NE2-CE2 3.9Å; H281-W303 AromaticContact NE2-CZ2 3.78Å
282	A	98.9	Very high	98.2	Very high	1 Å²	1	41 Å²	41	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141	177	0	0	0	0	0	111.7	W96 C141 W142 P186 F251 A252	W96-A282 HydrophobicContact CH2-CB 4.24Å; W96-A282 HydrophobicContact CZ2-CB 3.71Å; C141-A282 WeakPolarHBondContact CB-O 3.45Å; C141-A282 PolarHBondContact SG-N 3.39Å; C141-A282 VanDerWaalsContact SG-N 3.38Å; W142-A282 HydrophobicContact CB-CB 4.21Å; P186-A282 HydrophobicContact CG-CB 4.16Å; F251-A282 CarbonylContact O-C 3.55Å; F251-A282 WeakPolarHBondContact O-CA 3.43Å; A252-A282 HydrophobicContact CB-CB 4.41Å
283	V	98.9	Very high	98.2	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	179.5	-172.4	-71	0	0	0	0	110	S145 S250 F251 F253 H281 V299 F313	S145-V283 PolarHBondContact OG-O 2.96Å; S250-V283 WeakPolarHBondContact CA-O 3.35Å; F251-V283 HydrophobicContact CD1-CG2 4.17Å; F251-V283 HydrophobicContact CD2-CG2 3.98Å; F251-V283 HydrophobicContact CE1-CG2 3.67Å; F251-V283 HydrophobicContact CE2-CG2 3.45Å; F251-V283 VanDerWaalsContact CE2-CG2 3.45Å; F251-V283 HydrophobicContact CG-CG2 4.32Å; F251-V283 HydrophobicContact CZ-CG2 3.29Å; F251-V283 PolarHBondContact N-O 2.99Å; F251-V283 VanDerWaalsContact N-O 3.09Å; F251-V283 PolarHBondContact O-N 3.23Å; F253-V283 HydrophobicContact CD1-CG2 3.79Å; F253-V283 HydrophobicContact CE1-CB 4.41Å; F253-V283 HydrophobicContact CE1-CG1 3.85Å; F253-V283 HydrophobicContact CE1-CG2 3.64Å; H281-V283 VanDerWaalsContact CD2-CG1 3.5Å; H281-V283 WeakPolarHBondContact CD2-CG1 3.35Å; V283-V299 HydrophobicContact CB-CG1 3.63Å; V283-V299 HydrophobicContact CG1-CG1 4.47Å; V283-V299 HydrophobicContact CG2-CG1 3.54Å; V283-F313 HydrophobicContact CG1-CE1 4.16Å; V283-F313 HydrophobicContact CG1-CZ 4.4Å; V283-F313 HydrophobicContact CG2-CZ 4.23Å
284	L	98.9	Very high	98.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115	-175.4	-177	72.7	0	0	0	111.3	A149 P248 V286 V299 K300	A149-L284 HydrophobicContact CB-CD1 3.72Å; P248-L284 HydrophobicContact CB-CD1 3.78Å; P248-L284 HydrophobicContact CB-CD2 4.03Å; P248-L284 HydrophobicContact CB-CG 3.9Å; L284-V286 HydrophobicContact CD2-CG1 3.81Å; L284-V286 HydrophobicContact CG-CG1 3.99Å; L284-V286 PolarHBondContact O-N 3.46Å; L284-V299 CarbonylContact O-C 3Å; L284-V299 WeakPolarHBondContact O-CA 3.42Å; L284-V299 WeakPolarHBondContact O-CG1 3.32Å; L284-K300 HydrophobicContact CB-CB 4.27Å; L284-K300 HydrophobicContact CD2-CD 4.4Å; L284-K300 PolarHBondContact N-O 2.55Å; L284-K300 PolarHBondContact O-N 2.93Å
285	A	98.9	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	113.7	169.3	0	0	0	0	0	109.4	V243 P248 V249 F251 W297	V243-A285 HydrophobicContact CG2-CB 4.17Å; P248-A285 CarbonylContact C-O 3.6Å; P248-A285 WeakPolarHBondContact CA-O 3.47Å; P248-A285 WeakPolarHBondContact CB-O 3.38Å; V249-A285 PolarHBondContact N-O 3.3Å; V249-A285 PolarHBondContact O-N 2.92Å; F251-A285 HydrophobicContact CD1-CB 3.94Å; F251-A285 HydrophobicContact CE1-CB 3.77Å; A285-W297 HydrophobicContact CB-CE3 4.13Å
286	V	98.9	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	1.4	-179.5	-61.9	0	0	0	0	112.8	W122 R123 V129 P248 L284 I298 K300 Y312	W122-V286 WeakPolarHBondContact CB-O 3.13Å; W122-V286 VanDerWaalsContact CD1-O 3.26Å; W122-V286 PolarHBondContact N-O 3.05Å; R123-V286 HydrophobicContact CG-CG2 4.4Å; V129-V286 HydrophobicContact CG1-CG1 3.99Å; V129-V286 HydrophobicContact CG2-CB 4.29Å; V129-V286 HydrophobicContact CG2-CG1 4.11Å; P248-V286 HydrophobicContact CB-CG1 4.25Å; P248-V286 HydrophobicContact CG-CG1 4.4Å; L284-V286 HydrophobicContact CD2-CG1 3.81Å; L284-V286 HydrophobicContact CG-CG1 3.99Å; L284-V286 PolarHBondContact O-N 3.46Å; V286-I298 HydrophobicContact CG2-CB 4.19Å; V286-I298 HydrophobicContact CG2-CG2 3.7Å; V286-I298 WeakPolarHBondContact CG2-O 3.45Å; V286-I298 PolarHBondContact N-O 2.94Å; V286-K300 HydrophobicContact CG1-CB 4.12Å; V286-Y312 HydrophobicContact CG2-CD1 4.18Å; V286-Y312 HydrophobicContact CG2-CE1 3.8Å
287	G	98.9	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	178	-174.5	0	0	0	0	0	112.2	M120 I298	M120-G287 CarbonylContact O-C 3.52Å; M120-G287 WeakPolarHBondContact O-CA 3.29Å; G287-I298 PolarHBondContact N-O 3.29Å; G287-I298 PolarHBondContact O-N 3.31Å
288	Y	98.9	Very high	98.5	Very high	5 Å²	5	33 Å²	33	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	163	175.5	62.2	-98.2	0	0	0	110.1	P117 S119 M120 V240 V243 A244 Y296 W297	P117-Y288 WeakPolarHBondContact O-CE2 3.45Å; P117-Y288 PolarHBondContact O-OH 2.02Å; S119-Y288 CarbonylContact C-O 3.52Å; S119-Y288 VanDerWaalsContact CA-O 3.29Å; S119-Y288 WeakPolarHBondContact CA-O 3.27Å; M120-Y288 HydrophobicContact CB-CD1 4.14Å; M120-Y288 HydrophobicContact CB-CE1 3.75Å; M120-Y288 HydrophobicContact CG-CE1 3.87Å; M120-Y288 PolarHBondContact N-O 2.98Å; M120-Y288 PolarHBondContact O-N 3.45Å; M120-Y288 VanDerWaalsContact O-O 3.12Å; V240-Y288 HydrophobicContact CG1-CD1 4.46Å; V240-Y288 HydrophobicContact CG1-CE1 3.9Å; V240-Y288 HydrophobicContact CG1-CE2 4.28Å; V243-Y288 HydrophobicContact CB-CD1 4.29Å; V243-Y288 HydrophobicContact CB-CE1 4.42Å; V243-Y288 HydrophobicContact CG1-CD1 3.9Å; V243-Y288 HydrophobicContact CG1-CE1 4.21Å; A244-Y288 HydrophobicContact CB-CE1 4.08Å; A244-Y288 WeakPolarHBondContact CB-OH 3.23Å; Y288-Y296 CarbonylContact C-O 3.52Å; Y288-Y296 VanDerWaalsContact CA-O 3.24Å; Y288-Y296 WeakPolarHBondContact CA-O 3.07Å; Y288-Y296 VanDerWaalsContact CB-O 3.27Å; Y288-Y296 WeakPolarHBondContact CB-O 3.48Å; Y288-W297 HydrophobicContact CD1-CE3 4.49Å; Y288-W297 AromaticContact CD1-CZ3 3.83Å; Y288-W297 HydrophobicContact CD1-CZ3 3.83Å; Y288-W297 HydrophobicContact CG-CZ3 4.24Å
289	G	98.8	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	-158.2	175	0	0	0	0	0	111.3	P295 Y296 R317	G289-P295 WeakPolarHBondContact O-CA 3.39Å; G289-Y296 PolarHBondContact N-O 3Å; G289-Y296 PolarHBondContact O-N 3.04Å; G289-R317 PolarHBondContact O-NH2 2.89Å
290	E	98.6	Very high	98.6	Very high	120 Å²	120	29.7 Å²	29.7	56%	0.561	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.3	175	-172.9	178.3	128.8	0	0	109.2	G293 I294 Y296	E290-G293 VanDerWaalsContact OE1-CA 3.27Å; E290-G293 WeakPolarHBondContact OE1-CA 3.18Å; E290-I294 WeakPolarHBondContact CA-O 3.49Å; E290-Y296 VanDerWaalsContact C-CE1 3.46Å
291	E	97.8	Very high	98.6	Very high	88 Å²	88	29.3 Å²	29.3	41%	0.411	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.3	172.1	-178.1	-177.8	171.3	0	0	108.6	I266 G293 I294 Y296	I266-E291 HydrophobicContact CD1-CB 4.27Å; E291-G293 VanDerWaalsContact C-N 3.27Å; E291-G293 PolarHBondContact O-N 3.33Å; E291-I294 PolarHBondContact N-O 3.02Å; E291-I294 WeakPolarHBondContact O-CB 3.01Å; E291-I294 PolarHBondContact O-N 3.11Å; E291-Y296 HydrophobicContact CB-CD1 4.39Å; E291-Y296 HydrophobicContact CB-CE1 3.85Å
292	K	95.9	Very high	98.6	Very high	187 Å²	187	29.5 Å²	29.5	81%	0.813	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	40.5	177.9	-60.5	167.5	-173.9	169.3	0	113.4	I294	K292-I294 VanDerWaalsContact C-N 3.29Å; K292-I294 PolarHBondContact O-N 3.19Å
293	G	97.6	Very high	98.6	Very high	54 Å²	54	29.6 Å²	29.6	56%	0.557	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	4	-179.2	0	0	0	0	0	114.7	E290 E291 P295	E290-G293 VanDerWaalsContact OE1-CA 3.27Å; E290-G293 WeakPolarHBondContact OE1-CA 3.18Å; E291-G293 VanDerWaalsContact C-N 3.27Å; E291-G293 PolarHBondContact O-N 3.33Å; G293-P295 WeakPolarHBondContact O-CD 3.17Å
294	I	98.6	Very high	98.6	Very high	44 Å²	44	29.7 Å²	29.7	23%	0.226	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.8	-178.7	-52.3	-179.2	0	0	0	109.2	T74 I266 E290 E291 K292 E316	T74-I294 HydrophobicContact CG2-CD1 3.49Å; T74-I294 VanDerWaalsContact CG2-CD1 3.49Å; I266-I294 HydrophobicContact CD1-CB 3.71Å; I266-I294 HydrophobicContact CD1-CG2 3.67Å; I266-I294 HydrophobicContact CG2-CG2 4.01Å; E290-I294 WeakPolarHBondContact CA-O 3.49Å; E291-I294 PolarHBondContact N-O 3.02Å; E291-I294 WeakPolarHBondContact O-CB 3.01Å; E291-I294 PolarHBondContact O-N 3.11Å; K292-I294 VanDerWaalsContact C-N 3.29Å; K292-I294 PolarHBondContact O-N 3.19Å; I294-E316 HydrophobicContact CG2-CG 4.11Å
295	P	98.8	Very high	98.6	Very high	35 Å²	35	32.7 Å²	32.7	23%	0.227	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.1	176.3	27.3	-33.7	0	0	0	110.7	G289 G293 R317	G289-P295 WeakPolarHBondContact O-CA 3.39Å; G293-P295 WeakPolarHBondContact O-CD 3.17Å; P295-R317 HydrophobicContact CB-CB 4.24Å; P295-R317 VanDerWaalsContact CB-NH2 3.31Å; P295-R317 WeakPolarHBondContact CG-O 3.03Å; P295-R317 PolarHBondContact O-N 2.64Å
296	Y	98.9	Very high	98.5	Very high	41 Å²	41	40.6 Å²	40.6	16%	0.161	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159	180	62.3	-99.9	0	0	0	112.9	I266 Y288 G289 E290 E291 I298 L314 I315 R317	I266-Y296 HydrophobicContact CD1-CD1 3.7Å; I266-Y296 HydrophobicContact CD1-CG 4.35Å; I266-Y296 HydrophobicContact CG1-CD1 4.05Å; I266-Y296 HydrophobicContact CG1-CG 4.32Å; Y288-Y296 CarbonylContact C-O 3.52Å; Y288-Y296 VanDerWaalsContact CA-O 3.24Å; Y288-Y296 WeakPolarHBondContact CA-O 3.07Å; Y288-Y296 VanDerWaalsContact CB-O 3.27Å; Y288-Y296 WeakPolarHBondContact CB-O 3.48Å; G289-Y296 PolarHBondContact N-O 3Å; G289-Y296 PolarHBondContact O-N 3.04Å; E290-Y296 VanDerWaalsContact C-CE1 3.46Å; E291-Y296 HydrophobicContact CB-CD1 4.39Å; E291-Y296 HydrophobicContact CB-CE1 3.85Å; Y296-I298 HydrophobicContact CD2-CG1 4.08Å; Y296-I298 HydrophobicContact CE2-CD1 4.25Å; Y296-I298 HydrophobicContact CE2-CG1 3.67Å; Y296-L314 HydrophobicContact CD1-CD1 4.44Å; Y296-L314 HydrophobicContact CD2-CB 4.19Å; Y296-L314 HydrophobicContact CD2-CD1 4.02Å; Y296-L314 HydrophobicContact CD2-CD2 3.74Å; Y296-L314 HydrophobicContact CD2-CG 4.2Å; Y296-L314 HydrophobicContact CE1-CD1 4.43Å; Y296-L314 HydrophobicContact CE2-CD1 4.04Å; Y296-L314 HydrophobicContact CE2-CD2 3.84Å; Y296-L314 HydrophobicContact CE2-CG 4.47Å; Y296-L314 HydrophobicContact CG-CB 4.3Å; Y296-L314 HydrophobicContact CG-CD1 4.23Å; Y296-I315 CarbonylContact C-O 3.6Å; Y296-I315 VanDerWaalsContact CA-O 3.23Å; Y296-I315 WeakPolarHBondContact CA-O 3.49Å; Y296-I315 WeakPolarHBondContact CB-O 3.15Å; Y296-R317 PolarHBondContact O-NE 3.22Å
297	W	98.9	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.5	163	-68.2	108.2	0	0	0	110.6	E236 M239 V240 V243 A285 Y288 V299 L314 I315 R317	E236-W297 HydrophobicContact CG-CZ2 4.03Å; E236-W297 PolarHBondContact OE1-NE1 3.44Å; M239-W297 HydrophobicContact CB-CH2 3.81Å; M239-W297 HydrophobicContact CB-CZ2 3.93Å; V240-W297 HydrophobicContact CB-CH2 4.21Å; V240-W297 HydrophobicContact CG2-CH2 3.54Å; V240-W297 HydrophobicContact CG2-CZ2 3.74Å; V243-W297 HydrophobicContact CB-CZ3 4.23Å; V243-W297 HydrophobicContact CG2-CZ3 3.94Å; A285-W297 HydrophobicContact CB-CE3 4.13Å; Y288-W297 HydrophobicContact CD1-CE3 4.49Å; Y288-W297 AromaticContact CD1-CZ3 3.83Å; Y288-W297 HydrophobicContact CD1-CZ3 3.83Å; Y288-W297 HydrophobicContact CG-CZ3 4.24Å; W297-V299 HydrophobicContact CB-CG2 3.71Å; W297-L314 VanDerWaalsContact O-CA 3.24Å; W297-L314 WeakPolarHBondContact O-CA 3.48Å; W297-I315 HydrophobicContact CB-CG2 3.78Å; W297-I315 HydrophobicContact CG-CG2 4.4Å; W297-I315 PolarHBondContact N-O 3.36Å; W297-I315 PolarHBondContact O-N 3.17Å; W297-R317 HydrophobicContact CD2-CB 4.49Å; W297-R317 HydrophobicContact CD2-CG 4.26Å; W297-R317 VanDerWaalsContact CE2-CD 3.42Å; W297-R317 HydrophobicContact CG-CB 4.19Å; W297-R317 HydrophobicContact CG-CG 4.46Å; W297-R317 HydrophobicContact CZ2-CG 3.91Å
298	I	98.9	Very high	98.5	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117	167.5	-54.3	172.3	0	0	0	107.1	D121 V286 G287 Y296 Y312 L314	D121-I298 HydrophobicContact CB-CD1 4.04Å; V286-I298 HydrophobicContact CG2-CB 4.19Å; V286-I298 HydrophobicContact CG2-CG2 3.7Å; V286-I298 WeakPolarHBondContact CG2-O 3.45Å; V286-I298 PolarHBondContact N-O 2.94Å; G287-I298 PolarHBondContact N-O 3.29Å; G287-I298 PolarHBondContact O-N 3.31Å; Y296-I298 HydrophobicContact CD2-CG1 4.08Å; Y296-I298 HydrophobicContact CE2-CD1 4.25Å; Y296-I298 HydrophobicContact CE2-CG1 3.67Å; I298-Y312 HydrophobicContact CG2-CD1 4.35Å; I298-L314 HydrophobicContact CB-CD2 4.29Å; I298-L314 HydrophobicContact CG1-CD2 3.93Å; I298-L314 HydrophobicContact CG2-CD2 4.38Å
299	V	99	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	-167.9	-169.8	0	0	0	0	111.3	F251 V283 L284 W297 Y312 F313 I315	F251-V299 HydrophobicContact CE1-CG1 3.78Å; F251-V299 HydrophobicContact CE1-CG2 3.98Å; F251-V299 HydrophobicContact CZ-CB 4.46Å; F251-V299 HydrophobicContact CZ-CG1 3.73Å; F251-V299 HydrophobicContact CZ-CG2 3.83Å; V283-V299 HydrophobicContact CB-CG1 3.63Å; V283-V299 HydrophobicContact CG1-CG1 4.47Å; V283-V299 HydrophobicContact CG2-CG1 3.54Å; L284-V299 CarbonylContact O-C 3Å; L284-V299 WeakPolarHBondContact O-CA 3.42Å; L284-V299 WeakPolarHBondContact O-CG1 3.32Å; W297-V299 HydrophobicContact CB-CG2 3.71Å; V299-Y312 CarbonylContact O-C 3.52Å; V299-Y312 WeakPolarHBondContact O-CA 3.31Å; V299-Y312 WeakPolarHBondContact O-CB 3.45Å; V299-Y312 WeakPolarHBondContact O-CD1 3.48Å; V299-F313 HydrophobicContact CB-CD1 3.89Å; V299-F313 HydrophobicContact CB-CD2 4.2Å; V299-F313 HydrophobicContact CB-CE1 3.52Å; V299-F313 HydrophobicContact CB-CE2 3.85Å; V299-F313 HydrophobicContact CB-CG 4.25Å; V299-F313 HydrophobicContact CB-CZ 3.51Å; V299-F313 HydrophobicContact CG1-CD1 4.17Å; V299-F313 HydrophobicContact CG1-CE1 3.32Å; V299-F313 HydrophobicContact CG1-CE2 4.12Å; V299-F313 HydrophobicContact CG1-CZ 3.32Å; V299-F313 HydrophobicContact CG2-CD2 4.49Å; V299-F313 HydrophobicContact CG2-CE2 4.02Å; V299-F313 HydrophobicContact CG2-CZ 4.06Å; V299-F313 PolarHBondContact N-O 2.79Å; V299-F313 PolarHBondContact O-N 3.48Å; V299-I315 HydrophobicContact CG2-CG2 3.79Å
300	K	98.9	Very high	98.5	Very high	18 Å²	18	52.6 Å²	52.6	8%	0.078	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.6	172.9	-171.6	-177.3	174.8	-178.4	0	109.3	V129 T130 P131 V132 L284 V286 Y312	V129-K300 HydrophobicContact CG1-CD 3.98Å; T130-K300 WeakPolarHBondContact O-CE 3.28Å; T130-K300 PolarHBondContact O-NZ 2.83Å; T130-K300 PolarHBondContact OG1-NZ 2.71Å; P131-K300 WeakPolarHBondContact O-CE 3.47Å; P131-K300 PolarHBondContact O-NZ 2.95Å; V132-K300 HydrophobicContact CG2-CG 4.19Å; L284-K300 HydrophobicContact CB-CB 4.27Å; L284-K300 HydrophobicContact CD2-CD 4.4Å; L284-K300 PolarHBondContact N-O 2.55Å; L284-K300 PolarHBondContact O-N 2.93Å; V286-K300 HydrophobicContact CG1-CB 4.12Å; K300-Y312 HydrophobicContact CB-CD1 3.93Å; K300-Y312 HydrophobicContact CB-CE1 3.5Å; K300-Y312 VanDerWaalsContact CB-CE1 3.5Å; K300-Y312 HydrophobicContact CD-CE1 4.46Å; K300-Y312 HydrophobicContact CG-CD1 4.45Å; K300-Y312 HydrophobicContact CG-CE1 3.81Å
301	N	98.9	Very high	98.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	24%	0.24	C	C	.	.			trans	-102.1	174	175	-159.3	3.3	0	0	0	111.3	H281 W307 G311 F313	H281-N301 PolarHBondContact NE2-OD1 2.98Å; N301-W307 HydrophobicContact CB-CE3 4.04Å; N301-W307 HydrophobicContact CB-CZ3 3.75Å; N301-W307 WeakPolarHBondContact ND2-CH2 3.31Å; N301-W307 WeakPolarHBondContact ND2-CZ3 2.95Å; N301-G311 WeakPolarHBondContact CB-O 3.35Å; N301-G311 PolarHBondContact N-O 3.39Å; N301-F313 HydrophobicContact CB-CD1 4.17Å; N301-F313 HydrophobicContact CB-CE1 4.16Å
302	S	98.8	Very high	98.5	Very high	5 Å²	5	44 Å²	44	4%	0.035	23%	0.225	C	C	.	.	S	Bend	trans	-119.6	25.4	-177.7	51.3	0	0	0	0	113.4	K133 N134 Q135	K133-S302 CarbonylContact O-C 3.15Å; N134-S302 CarbonylContact C-O 3.46Å; N134-S302 WeakPolarHBondContact CA-O 3.14Å; Q135-S302 PolarHBondContact N-O 3Å; Q135-S302 PolarHBondContact OE1-OG 3.28Å
303	W	98.8	Very high	98.7	Very high	2 Å²	2	35 Å²	35	1%	0.008	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-103.4	27	177.6	-61.4	-19.1	0	0	0	113	Q81 F82 L95 Q135 V255 F259 H281 W307	Q81-W303 PolarHBondContact NE2-O 3.47Å; F82-W303 HydrophobicContact CE2-CB 4.15Å; F82-W303 AromaticContact CE2-CD2 3.83Å; F82-W303 HydrophobicContact CE2-CD2 3.83Å; F82-W303 AromaticContact CE2-CE3 3.6Å; F82-W303 HydrophobicContact CE2-CE3 3.6Å; F82-W303 HydrophobicContact CE2-CG 4.09Å; F82-W303 HydrophobicContact CE2-CZ3 4.29Å; F82-W303 HydrophobicContact CZ-CB 4.02Å; F82-W303 AromaticContact CZ-CD2 3.9Å; F82-W303 HydrophobicContact CZ-CD2 3.9Å; F82-W303 HydrophobicContact CZ-CE3 4.17Å; F82-W303 AromaticContact CZ-CG 3.84Å; F82-W303 HydrophobicContact CZ-CG 3.84Å; L95-W303 HydrophobicContact CD2-CZ2 4.13Å; Q135-W303 VanDerWaalsContact OE1-CD1 3.25Å; Q135-W303 VanDerWaalsContact OE1-NE1 3.12Å; V255-W303 HydrophobicContact CG1-CH2 4.09Å; V255-W303 HydrophobicContact CG2-CH2 4.26Å; F259-W303 AromaticContact CD1-CH2 3.92Å; F259-W303 HydrophobicContact CD1-CH2 3.92Å; F259-W303 AromaticContact CD1-CZ3 3.96Å; F259-W303 HydrophobicContact CD1-CZ3 3.96Å; F259-W303 AromaticContact CE1-CH2 3.85Å; F259-W303 HydrophobicContact CE1-CH2 3.85Å; F259-W303 AromaticContact CE1-CZ3 3.77Å; F259-W303 HydrophobicContact CE1-CZ3 3.77Å; H281-W303 AromaticContact CE1-CE2 3.73Å; H281-W303 AromaticContact CE1-CZ2 3.73Å; H281-W303 AromaticContact CE1-NE1 3.48Å; H281-W303 PolarHBondContact CE1-NE1 2.96Å; H281-W303 AromaticContact NE2-CE2 3.9Å; H281-W303 AromaticContact NE2-CZ2 3.78Å; W303-W307 HydrophobicContact CB-CB 4.2Å; W303-W307 HydrophobicContact CB-CG 4.24Å; W303-W307 AromaticContact CE3-CD1 3.86Å; W303-W307 AromaticContact CE3-CD2 3.83Å; W303-W307 HydrophobicContact CE3-CD2 3.83Å; W303-W307 AromaticContact CE3-CE2 3.47Å; W303-W307 VanDerWaalsContact CE3-CE2 3.47Å; W303-W307 HydrophobicContact CE3-CG 4.07Å; W303-W307 AromaticContact CE3-CZ2 3.89Å; W303-W307 HydrophobicContact CE3-CZ2 3.89Å; W303-W307 AromaticContact CE3-NE1 3.49Å; W303-W307 HydrophobicContact CZ3-CD2 4.49Å; W303-W307 AromaticContact CZ3-CE2 3.7Å; W303-W307 AromaticContact CZ3-CZ2 3.72Å; W303-W307 HydrophobicContact CZ3-CZ2 3.72Å; W303-W307 AromaticContact CZ3-NE1 3.74Å
304	G	98.6	Very high	98.7	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	16%	0.164	C	C	.	.			trans	78.6	164	-179.7	0	0	0	0	0	114.4	K133 H306 W307 G311	K133-G304 VanDerWaalsContact O-CA 3.31Å; K133-G304 WeakPolarHBondContact O-CA 3.31Å; K133-G304 PolarHBondContact O-N 3.06Å; G304-H306 PolarHBondContact O-N 3.14Å; G304-W307 PolarHBondContact O-N 2.97Å; G304-G311 WeakPolarHBondContact O-CA 3.09Å
305	P	98.3	Very high	98.8	Very high	68 Å²	68	31.2 Å²	31.2	44%	0.442	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.9	-172.1	29.7	-36.8	0	0	0	114	V132 K310 G311	V132-P305 HydrophobicContact CB-CB 4.46Å; P305-K310 CarbonylContact O-C 3.57Å; P305-K310 WeakPolarHBondContact O-CA 3.45Å; P305-G311 PolarHBondContact O-N 3.43Å
306	H	97.6	Very high	98.8	Very high	165 Å²	165	30.8 Å²	30.8	76%	0.764	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.2	-178.9	-61.1	101.3	0	0	0	113.3	G304	G304-H306 PolarHBondContact O-N 3.14Å
307	W	98.8	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-80.5	146.3	175.7	-179.6	90.6	0	0	0	110.9	F82 F259 M260 Y262 N301 W303 G304 M309 G311 F313	F82-W307 AromaticContact CE2-CD1 3.8Å; F259-W307 HydrophobicContact CD1-CZ2 4.21Å; F259-W307 AromaticContact CE1-CH2 3.73Å; F259-W307 HydrophobicContact CE1-CH2 3.73Å; F259-W307 AromaticContact CE1-CZ2 3.67Å; F259-W307 HydrophobicContact CE1-CZ2 3.67Å; F259-W307 HydrophobicContact CE2-CH2 4.19Å; F259-W307 AromaticContact CZ-CH2 3.47Å; F259-W307 HydrophobicContact CZ-CH2 3.47Å; F259-W307 VanDerWaalsContact CZ-CH2 3.47Å; F259-W307 AromaticContact CZ-CZ2 3.86Å; F259-W307 HydrophobicContact CZ-CZ2 3.86Å; M260-W307 PolarHBondContact O-NE1 2.93Å; M260-W307 VanDerWaalsContact O-NE1 3.13Å; Y262-W307 AromaticContact CD1-CH2 3.81Å; Y262-W307 HydrophobicContact CD1-CH2 3.81Å; Y262-W307 HydrophobicContact CD1-CZ2 4.07Å; Y262-W307 HydrophobicContact CD1-CZ3 4.31Å; Y262-W307 HydrophobicContact CG-CH2 4.4Å; Y262-W307 HydrophobicContact CG-CZ2 4.4Å; N301-W307 HydrophobicContact CB-CE3 4.04Å; N301-W307 HydrophobicContact CB-CZ3 3.75Å; N301-W307 WeakPolarHBondContact ND2-CH2 3.31Å; N301-W307 WeakPolarHBondContact ND2-CZ3 2.95Å; W303-W307 HydrophobicContact CB-CB 4.2Å; W303-W307 HydrophobicContact CB-CG 4.24Å; W303-W307 AromaticContact CE3-CD1 3.86Å; W303-W307 AromaticContact CE3-CD2 3.83Å; W303-W307 HydrophobicContact CE3-CD2 3.83Å; W303-W307 AromaticContact CE3-CE2 3.47Å; W303-W307 VanDerWaalsContact CE3-CE2 3.47Å; W303-W307 HydrophobicContact CE3-CG 4.07Å; W303-W307 AromaticContact CE3-CZ2 3.89Å; W303-W307 HydrophobicContact CE3-CZ2 3.89Å; W303-W307 AromaticContact CE3-NE1 3.49Å; W303-W307 HydrophobicContact CZ3-CD2 4.49Å; W303-W307 AromaticContact CZ3-CE2 3.7Å; W303-W307 AromaticContact CZ3-CZ2 3.72Å; W303-W307 HydrophobicContact CZ3-CZ2 3.72Å; W303-W307 AromaticContact CZ3-NE1 3.74Å; G304-W307 PolarHBondContact O-N 2.97Å; W307-M309 PolarHBondContact O-N 3.23Å; W307-G311 WeakPolarHBondContact O-CA 3.16Å; W307-G311 PolarHBondContact O-N 3.29Å; W307-F313 HydrophobicContact CH2-CB 3.88Å; W307-F313 AromaticContact CH2-CD1 3.82Å; W307-F313 HydrophobicContact CH2-CD1 3.82Å; W307-F313 HydrophobicContact CH2-CG 4.02Å; W307-F313 HydrophobicContact CZ3-CB 3.96Å; W307-F313 AromaticContact CZ3-CD1 3.76Å; W307-F313 HydrophobicContact CZ3-CD1 3.76Å; W307-F313 HydrophobicContact CZ3-CG 4.22Å
308	G	98.8	Very high	98.7	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-137.1	176.2	0	0	0	0	0	114.1	R263 K310	R263-G308 PolarHBondContact NH1-O 3.18Å; R263-G308 CarbonylContact O-C 3.51Å; G308-K310 PolarHBondContact O-N 3.28Å
309	M	98.8	Very high	98.7	Very high	74 Å²	74	38.4 Å²	38.4	37%	0.365	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-93.8	78.8	178.8	-63.2	179.2	63.4	0	0	110.3	Y262 K264 W307 G311 Y312 L314	Y262-M309 HydrophobicContact CE1-CG 4.28Å; Y262-M309 PolarHBondContact OH-SD 2.78Å; Y262-M309 VanDerWaalsContact OH-SD 3.33Å; K264-M309 HydrophobicContact CB-CG 3.92Å; K264-M309 HydrophobicContact CB-SD 4.09Å; W307-M309 PolarHBondContact O-N 3.23Å; M309-G311 VanDerWaalsContact C-N 3.26Å; M309-G311 PolarHBondContact O-N 3.33Å; M309-Y312 WeakPolarHBondContact CA-O 3.39Å; M309-Y312 WeakPolarHBondContact CB-O 3.43Å; M309-Y312 PolarHBondContact N-O 2.93Å; M309-Y312 WeakPolarHBondContact O-CB 3.39Å; M309-Y312 PolarHBondContact O-N 3.48Å; M309-L314 HydrophobicContact SD-CG 4.24Å
310	K	98.6	Very high	98.7	Very high	181 Å²	181	39.4 Å²	39.4	79%	0.787	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	38	-176	-59.6	-179	178.5	178.8	0	112.6	P305 G308	P305-K310 CarbonylContact O-C 3.57Å; P305-K310 WeakPolarHBondContact O-CA 3.45Å; G308-K310 PolarHBondContact O-N 3.28Å
311	G	98.8	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-1	-175.8	0	0	0	0	0	115.4	N301 G304 P305 W307 M309	N301-G311 WeakPolarHBondContact CB-O 3.35Å; N301-G311 PolarHBondContact N-O 3.39Å; G304-G311 WeakPolarHBondContact O-CA 3.09Å; P305-G311 PolarHBondContact O-N 3.43Å; W307-G311 WeakPolarHBondContact O-CA 3.16Å; W307-G311 PolarHBondContact O-N 3.29Å; M309-G311 VanDerWaalsContact C-N 3.26Å; M309-G311 PolarHBondContact O-N 3.33Å
312	Y	98.9	Very high	98.7	Very high	26 Å²	26	38.8 Å²	38.8	10%	0.102	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	165.5	174.2	-65.6	-100.8	0	0	0	111.5	V129 V132 V286 I298 V299 K300 M309	V129-Y312 WeakPolarHBondContact CG1-OH 3.29Å; V132-Y312 HydrophobicContact CG2-CD2 4.08Å; V132-Y312 HydrophobicContact CG2-CE2 3.55Å; V286-Y312 HydrophobicContact CG2-CD1 4.18Å; V286-Y312 HydrophobicContact CG2-CE1 3.8Å; I298-Y312 HydrophobicContact CG2-CD1 4.35Å; V299-Y312 CarbonylContact O-C 3.52Å; V299-Y312 WeakPolarHBondContact O-CA 3.31Å; V299-Y312 WeakPolarHBondContact O-CB 3.45Å; V299-Y312 WeakPolarHBondContact O-CD1 3.48Å; K300-Y312 HydrophobicContact CB-CD1 3.93Å; K300-Y312 HydrophobicContact CB-CE1 3.5Å; K300-Y312 VanDerWaalsContact CB-CE1 3.5Å; K300-Y312 HydrophobicContact CD-CE1 4.46Å; K300-Y312 HydrophobicContact CG-CD1 4.45Å; K300-Y312 HydrophobicContact CG-CE1 3.81Å; M309-Y312 WeakPolarHBondContact CA-O 3.39Å; M309-Y312 WeakPolarHBondContact CB-O 3.43Å; M309-Y312 PolarHBondContact N-O 2.93Å; M309-Y312 WeakPolarHBondContact O-CB 3.39Å; M309-Y312 PolarHBondContact O-N 3.48Å
313	F	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.1	166.9	64.8	-80	0	0	0	110.5	F253 F259 Y262 V283 V299 N301 W307 I315	F253-F313 AromaticContact CE1-CZ 3.99Å; F253-F313 HydrophobicContact CE1-CZ 3.99Å; F253-F313 HydrophobicContact CZ-CE2 4.42Å; F253-F313 AromaticContact CZ-CZ 3.94Å; F253-F313 HydrophobicContact CZ-CZ 3.94Å; F259-F313 HydrophobicContact CE2-CD1 4.48Å; F259-F313 AromaticContact CE2-CD2 3.61Å; F259-F313 HydrophobicContact CE2-CD2 3.61Å; F259-F313 HydrophobicContact CE2-CE1 4.49Å; F259-F313 AromaticContact CE2-CE2 3.63Å; F259-F313 HydrophobicContact CE2-CE2 3.63Å; F259-F313 HydrophobicContact CE2-CG 4.04Å; F259-F313 HydrophobicContact CE2-CZ 4.07Å; F259-F313 AromaticContact CZ-CD1 3.95Å; F259-F313 HydrophobicContact CZ-CD1 3.95Å; F259-F313 AromaticContact CZ-CD2 3.88Å; F259-F313 HydrophobicContact CZ-CD2 3.88Å; F259-F313 AromaticContact CZ-CE1 3.81Å; F259-F313 HydrophobicContact CZ-CE1 3.81Å; F259-F313 AromaticContact CZ-CE2 3.74Å; F259-F313 HydrophobicContact CZ-CE2 3.74Å; F259-F313 AromaticContact CZ-CG 3.96Å; F259-F313 HydrophobicContact CZ-CG 3.96Å; F259-F313 AromaticContact CZ-CZ 3.68Å; F259-F313 HydrophobicContact CZ-CZ 3.68Å; Y262-F313 HydrophobicContact CD1-CB 3.7Å; Y262-F313 HydrophobicContact CE1-CB 3.26Å; Y262-F313 HydrophobicContact CE2-CB 4.38Å; Y262-F313 HydrophobicContact CG-CB 4.43Å; V283-F313 HydrophobicContact CG1-CE1 4.16Å; V283-F313 HydrophobicContact CG1-CZ 4.4Å; V283-F313 HydrophobicContact CG2-CZ 4.23Å; V299-F313 HydrophobicContact CB-CD1 3.89Å; V299-F313 HydrophobicContact CB-CD2 4.2Å; V299-F313 HydrophobicContact CB-CE1 3.52Å; V299-F313 HydrophobicContact CB-CE2 3.85Å; V299-F313 HydrophobicContact CB-CG 4.25Å; V299-F313 HydrophobicContact CB-CZ 3.51Å; V299-F313 HydrophobicContact CG1-CD1 4.17Å; V299-F313 HydrophobicContact CG1-CE1 3.32Å; V299-F313 HydrophobicContact CG1-CE2 4.12Å; V299-F313 HydrophobicContact CG1-CZ 3.32Å; V299-F313 HydrophobicContact CG2-CD2 4.49Å; V299-F313 HydrophobicContact CG2-CE2 4.02Å; V299-F313 HydrophobicContact CG2-CZ 4.06Å; V299-F313 PolarHBondContact N-O 2.79Å; V299-F313 PolarHBondContact O-N 3.48Å; N301-F313 HydrophobicContact CB-CD1 4.17Å; N301-F313 HydrophobicContact CB-CE1 4.16Å; W307-F313 HydrophobicContact CH2-CB 3.88Å; W307-F313 AromaticContact CH2-CD1 3.82Å; W307-F313 HydrophobicContact CH2-CD1 3.82Å; W307-F313 HydrophobicContact CH2-CG 4.02Å; W307-F313 HydrophobicContact CZ3-CB 3.96Å; W307-F313 AromaticContact CZ3-CD1 3.76Å; W307-F313 HydrophobicContact CZ3-CD1 3.76Å; W307-F313 HydrophobicContact CZ3-CG 4.22Å; F313-I315 HydrophobicContact CD2-CB 4.06Å; F313-I315 HydrophobicContact CD2-CG2 4.32Å; F313-I315 HydrophobicContact CE2-CB 3.87Å; F313-I315 HydrophobicContact CE2-CD1 4.42Å; F313-I315 HydrophobicContact CE2-CG2 3.84Å
314	L	98.9	Very high	98.6	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.089	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.3	167	-48.5	-178.1	0	0	0	108.8	Y262 G265 I266 Y267 Y296 W297 I298 M309	Y262-L314 PolarHBondContact OH-N 3.27Å; Y262-L314 VanDerWaalsContact OH-N 3.12Å; G265-L314 WeakPolarHBondContact O-CB 3.02Å; I266-L314 HydrophobicContact CG1-CB 4.35Å; I266-L314 HydrophobicContact CG1-CD1 4.36Å; Y267-L314 VanDerWaalsContact CB-O 3.24Å; Y267-L314 WeakPolarHBondContact CB-O 3.27Å; Y267-L314 PolarHBondContact N-O 2.97Å; Y296-L314 HydrophobicContact CD1-CD1 4.44Å; Y296-L314 HydrophobicContact CD2-CB 4.19Å; Y296-L314 HydrophobicContact CD2-CD1 4.02Å; Y296-L314 HydrophobicContact CD2-CD2 3.74Å; Y296-L314 HydrophobicContact CD2-CG 4.2Å; Y296-L314 HydrophobicContact CE1-CD1 4.43Å; Y296-L314 HydrophobicContact CE2-CD1 4.04Å; Y296-L314 HydrophobicContact CE2-CD2 3.84Å; Y296-L314 HydrophobicContact CE2-CG 4.47Å; Y296-L314 HydrophobicContact CG-CB 4.3Å; Y296-L314 HydrophobicContact CG-CD1 4.23Å; W297-L314 VanDerWaalsContact O-CA 3.24Å; W297-L314 WeakPolarHBondContact O-CA 3.48Å; I298-L314 HydrophobicContact CB-CD2 4.29Å; I298-L314 HydrophobicContact CG1-CD2 3.93Å; I298-L314 HydrophobicContact CG2-CD2 4.38Å; M309-L314 HydrophobicContact SD-CG 4.24Å
315	I	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.8	175.7	-176.7	167.7	0	0	0	109.4	F253 Y267 Y296 W297 V299 F313 R317 M321 L324	F253-I315 HydrophobicContact CD2-CD1 4.48Å; Y267-I315 HydrophobicContact CD1-CD1 3.97Å; Y267-I315 HydrophobicContact CD1-CG1 4.04Å; Y267-I315 WeakPolarHBondContact O-CA 3.3Å; Y296-I315 CarbonylContact C-O 3.6Å; Y296-I315 VanDerWaalsContact CA-O 3.23Å; Y296-I315 WeakPolarHBondContact CA-O 3.49Å; Y296-I315 WeakPolarHBondContact CB-O 3.15Å; W297-I315 HydrophobicContact CB-CG2 3.78Å; W297-I315 HydrophobicContact CG-CG2 4.4Å; W297-I315 PolarHBondContact N-O 3.36Å; W297-I315 PolarHBondContact O-N 3.17Å; V299-I315 HydrophobicContact CG2-CG2 3.79Å; F313-I315 HydrophobicContact CD2-CB 4.06Å; F313-I315 HydrophobicContact CD2-CG2 4.32Å; F313-I315 HydrophobicContact CE2-CB 3.87Å; F313-I315 HydrophobicContact CE2-CD1 4.42Å; F313-I315 HydrophobicContact CE2-CG2 3.84Å; I315-R317 PolarHBondContact O-N 3.3Å; I315-M321 HydrophobicContact CD1-CB 4.13Å; I315-M321 HydrophobicContact CD1-CG 3.82Å; I315-M321 HydrophobicContact CG1-CB 4Å; I315-M321 HydrophobicContact CG1-CG 3.7Å; I315-L324 HydrophobicContact CD1-CD2 4.05Å; I315-L324 HydrophobicContact CG1-CD2 4.24Å; I315-L324 HydrophobicContact CG2-CD2 4.25Å
316	E	98.9	Very high	98.6	Very high	26 Å²	26	35.1 Å²	35.1	12%	0.121	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	129.5	-176.6	-168	175.6	-159.7	0	0	111.4	I266 Y267 I294 K319 M321	I266-E316 HydrophobicContact CG2-CB 3.96Å; Y267-E316 PolarHBondContact O-N 3.37Å; I294-E316 HydrophobicContact CG2-CG 4.11Å; E316-K319 VanDerWaalsContact CD-NZ 3.3Å; E316-K319 HydrophobicContact CG-CD 4.24Å; E316-K319 WeakPolarHBondContact OE1-CE 3.16Å; E316-K319 IonicContact OE1-NZ 3.41Å; E316-K319 PolarHBondContact OE1-NZ 2.96Å; E316-K319 WeakPolarHBondContact OE2-CD 3.48Å; E316-K319 IonicContact OE2-NZ 3.72Å; E316-K319 PolarHBondContact OE2-NZ 3.25Å; E316-M321 HydrophobicContact CB-CE 4.23Å; E316-M321 WeakPolarHBondContact O-CB 3.49Å; E316-M321 WeakPolarHBondContact OE2-CE 2.98Å
317	R	98.8	Very high	98.6	Very high	37 Å²	37	28 Å²	28	14%	0.14	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	153.5	-176.8	174.1	170.4	62	79.9	0.3	111.1	E236 G289 P295 Y296 W297 I315	E236-R317 WeakPolarHBondContact OE1-CA 3.5Å; G289-R317 PolarHBondContact O-NH2 2.89Å; P295-R317 HydrophobicContact CB-CB 4.24Å; P295-R317 VanDerWaalsContact CB-NH2 3.31Å; P295-R317 WeakPolarHBondContact CG-O 3.03Å; P295-R317 PolarHBondContact O-N 2.64Å; Y296-R317 PolarHBondContact O-NE 3.22Å; W297-R317 HydrophobicContact CD2-CB 4.49Å; W297-R317 HydrophobicContact CD2-CG 4.26Å; W297-R317 VanDerWaalsContact CE2-CD 3.42Å; W297-R317 HydrophobicContact CG-CB 4.19Å; W297-R317 HydrophobicContact CG-CG 4.46Å; W297-R317 HydrophobicContact CZ2-CG 3.91Å; I315-R317 PolarHBondContact O-N 3.3Å
318	G	98.4	Very high	98.6	Very high	61 Å²	61	28.2 Å²	28.2	63%	0.629	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	17.4	177	0	0	0	0	0	113.8	E236	E236-G318 PolarHBondContact OE1-N 2.95Å; E236-G318 WeakPolarHBondContact OE2-CA 3.12Å; E236-G318 PolarHBondContact OE2-N 3.5Å
319	K	98.5	Very high	98.6	Very high	113 Å²	113	28.1 Å²	28.1	49%	0.491	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	3.6	-177.3	-67.6	-166.7	-179.2	172	0	113.5	E236 K274 E316 M321	E236-K319 PolarHBondContact OE2-N 3.41Å; K274-K319 PolarHBondContact NZ-O 3.4Å; E316-K319 VanDerWaalsContact CD-NZ 3.3Å; E316-K319 HydrophobicContact CG-CD 4.24Å; E316-K319 WeakPolarHBondContact OE1-CE 3.16Å; E316-K319 IonicContact OE1-NZ 3.41Å; E316-K319 PolarHBondContact OE1-NZ 2.96Å; E316-K319 WeakPolarHBondContact OE2-CD 3.48Å; E316-K319 IonicContact OE2-NZ 3.72Å; E316-K319 PolarHBondContact OE2-NZ 3.25Å; K319-M321 HydrophobicContact CD-CE 4.48Å; K319-M321 PolarHBondContact O-N 3.24Å
320	N	98.6	Very high	98.6	Very high	22 Å²	22	25 Å²	25	12%	0.118	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	50.5	-165.4	-171.1	17.8	0	0	0	110.4	N234 E236 K274 C322 G323 L324 A325	N234-N320 PolarHBondContact OD1-ND2 3.15Å; E236-N320 WeakPolarHBondContact OE2-CA 3.35Å; E236-N320 PolarHBondContact OE2-N 3.48Å; K274-N320 WeakPolarHBondContact CG-O 3.16Å; K274-N320 PolarHBondContact NZ-O 3Å; K274-N320 PolarHBondContact O-ND2 3.12Å; N320-C322 PolarHBondContact O-N 3.3Å; N320-G323 PolarHBondContact O-N 3.1Å; N320-G323 VanDerWaalsContact OD1-CA 3.23Å; N320-G323 WeakPolarHBondContact OD1-CA 3.4Å; N320-L324 PolarHBondContact OD1-N 3.26Å; N320-A325 WeakPolarHBondContact OD1-CB 3.07Å; N320-A325 PolarHBondContact OD1-N 3.37Å
321	M	98.8	Very high	98.6	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.044	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-61	125.9	-173.8	-176.3	56.7	68.5	0	0	109.5	S269 I315 E316 K319 G323 L324	S269-M321 PolarHBondContact N-SD 3.23Å; S269-M321 VanDerWaalsContact O-SD 3.36Å; I315-M321 HydrophobicContact CD1-CB 4.13Å; I315-M321 HydrophobicContact CD1-CG 3.82Å; I315-M321 HydrophobicContact CG1-CB 4Å; I315-M321 HydrophobicContact CG1-CG 3.7Å; E316-M321 HydrophobicContact CB-CE 4.23Å; E316-M321 WeakPolarHBondContact O-CB 3.49Å; E316-M321 WeakPolarHBondContact OE2-CE 2.98Å; K319-M321 HydrophobicContact CD-CE 4.48Å; K319-M321 PolarHBondContact O-N 3.24Å; M321-G323 PolarHBondContact O-N 2.82Å; M321-L324 HydrophobicContact CB-CD2 3.88Å; M321-L324 WeakPolarHBondContact O-CB 3.22Å; M321-L324 WeakPolarHBondContact O-CD2 3.34Å; M321-L324 VanDerWaalsContact O-CG 3.31Å; M321-L324 WeakPolarHBondContact O-CG 3.25Å; M321-L324 PolarHBondContact O-N 3.41Å
322	C	98.7	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	51.2	27.1	-176.4	-51	0	0	0	0	115.6	F253 E254 C272 H273 N320	F253-C322 CarbonylContact C-O 3.51Å; F253-C322 VanDerWaalsContact CA-O 3.31Å; F253-C322 WeakPolarHBondContact CA-O 3.31Å; F253-C322 HydrophobicContact CB-CB 4.22Å; F253-C322 WeakPolarHBondContact CB-O 3.45Å; F253-C322 HydrophobicContact CD2-CB 3.95Å; E254-C322 PolarHBondContact N-O 3.23Å; E254-C322 WeakPolarHBondContact O-CB 3.45Å; C272-C322 HydrophobicContact CB-CB 3.62Å; C272-C322 WeakPolarHBondContact CB-SG 3.4Å; C272-C322 WeakPolarHBondContact SG-CA 3.34Å; C272-C322 WeakPolarHBondContact SG-CB 3.16Å; C272-C322 PolarHBondContact SG-N 2.95Å; C272-C322 VanDerWaalsContact SG-N 3.41Å; C272-C322 CovalentContact SG-SG 2.05Å; C272-C322 PolarHBondContact SG-SG 2.84Å; H273-C322 CarbonylContact O-C 3.6Å; H273-C322 VanDerWaalsContact O-CA 3.23Å; H273-C322 WeakPolarHBondContact O-CA 3.34Å; N320-C322 PolarHBondContact O-N 3.3Å
323	G	98.4	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	77.6	17.7	179.5	0	0	0	0	0	114.3	H273 N320 M321 A325 A326	H273-G323 PolarHBondContact O-N 3.13Å; N320-G323 PolarHBondContact O-N 3.1Å; N320-G323 VanDerWaalsContact OD1-CA 3.23Å; N320-G323 WeakPolarHBondContact OD1-CA 3.4Å; M321-G323 PolarHBondContact O-N 2.82Å; G323-A325 PolarHBondContact O-N 2.83Å; G323-A326 WeakPolarHBondContact O-CB 3.42Å; G323-A326 PolarHBondContact O-N 2.79Å
324	L	98.8	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23	-175.9	67.5	82.2	0	0	0	115	E236 M239 F251 A252 F253 I315 N320 M321	E236-L324 HydrophobicContact CG-CD1 3.98Å; M239-L324 HydrophobicContact CE-CD1 3.92Å; M239-L324 HydrophobicContact SD-CD1 4.12Å; F251-L324 WeakPolarHBondContact CB-O 3.38Å; F251-L324 HydrophobicContact CD2-CB 3.62Å; F251-L324 WeakPolarHBondContact CD2-O 3.39Å; F251-L324 HydrophobicContact CE2-CB 3.54Å; F251-L324 HydrophobicContact CZ-CB 4.46Å; A252-L324 WeakPolarHBondContact O-CA 3.41Å; F253-L324 HydrophobicContact CB-CB 4.2Å; I315-L324 HydrophobicContact CD1-CD2 4.05Å; I315-L324 HydrophobicContact CG1-CD2 4.24Å; I315-L324 HydrophobicContact CG2-CD2 4.25Å; N320-L324 PolarHBondContact OD1-N 3.26Å; M321-L324 HydrophobicContact CB-CD2 3.88Å; M321-L324 WeakPolarHBondContact O-CB 3.22Å; M321-L324 WeakPolarHBondContact O-CD2 3.34Å; M321-L324 VanDerWaalsContact O-CG 3.31Å; M321-L324 WeakPolarHBondContact O-CG 3.25Å; M321-L324 PolarHBondContact O-N 3.41Å
325	A	98.4	Very high	98.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	8.6	178.7	0	0	0	0	0	112.9	N234 E236 M239 N320 G323	N234-A325 VanDerWaalsContact CA-O 3.3Å; N234-A325 WeakPolarHBondContact CA-O 3.43Å; N234-A325 PolarHBondContact N-O 3.09Å; E236-A325 HydrophobicContact CB-CB 3.8Å; E236-A325 HydrophobicContact CG-CB 4.31Å; M239-A325 HydrophobicContact SD-CB 3.81Å; N320-A325 WeakPolarHBondContact OD1-CB 3.07Å; N320-A325 PolarHBondContact OD1-N 3.37Å; G323-A325 PolarHBondContact O-N 2.83Å
326	A	97.6	Very high	98.2	Very high	3 Å²	3	31.3 Å²	31.3	3%	0.025	18%	0.179	C	C	.	.	S	Bend	trans	-67.4	-42.8	-175.9	0	0	0	0	0	113.1	L233 P276 V279 G323	L233-A326 HydrophobicContact CD1-CB 4.47Å; L233-A326 VanDerWaalsContact CD1-O 3.25Å; L233-A326 WeakPolarHBondContact CD1-O 3.25Å; P276-A326 HydrophobicContact CB-CB 4.25Å; P276-A326 HydrophobicContact CG-CB 4.04Å; V279-A326 HydrophobicContact CG1-CB 4.29Å; G323-A326 WeakPolarHBondContact O-CB 3.42Å; G323-A326 PolarHBondContact O-N 2.79Å
327	C	97.2	Very high	98.2	Very high	16 Å²	16	31.5 Å²	31.5	11%	0.108	18%	0.182	C	C	.	.	S	Bend	trans	-150.6	67	-179.7	47.6	0	0	0	0	111.9	C102	C102-C327 HydrophobicContact CB-CB 3.93Å; C102-C327 WeakPolarHBondContact CB-SG 3.17Å; C102-C327 VanDerWaalsContact O-CB 3.31Å; C102-C327 WeakPolarHBondContact O-CB 3.11Å; C102-C327 WeakPolarHBondContact SG-CB 3.29Å; C102-C327 CovalentContact SG-SG 2.02Å; C102-C327 PolarHBondContact SG-SG 2.63Å
328	A	98.6	Very high	98.2	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	19%	0.185	C	C	.	.			trans	-79.2	142.9	172.7	0	0	0	0	0	111.2	I231 M239 V249 S250 F251	I231-A328 HydrophobicContact CB-CB 4.12Å; I231-A328 WeakPolarHBondContact CB-O 3.4Å; I231-A328 HydrophobicContact CD1-CB 3.99Å; I231-A328 PolarHBondContact N-O 2.71Å; M239-A328 HydrophobicContact CE-CB 3.94Å; M239-A328 HydrophobicContact CG-CB 3.67Å; M239-A328 HydrophobicContact SD-CB 3.7Å; V249-A328 HydrophobicContact CG1-CB 3.87Å; S250-A328 CarbonylContact O-C 3.54Å; S250-A328 VanDerWaalsContact O-CA 3.23Å; S250-A328 WeakPolarHBondContact O-CA 3.25Å; F251-A328 HydrophobicContact CB-CB 4.09Å
329	S	98.7	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.4	177.8	57.2	0	0	0	0	111.9	S187 A229 S250	S187-S329 PolarHBondContact N-OG 2.85Å; A229-S329 CarbonylContact O-C 3.58Å; A229-S329 WeakPolarHBondContact O-CA 3.36Å; A229-S329 VanDerWaalsContact O-CB 3.28Å; A229-S329 WeakPolarHBondContact O-CB 3.33Å; S250-S329 WeakPolarHBondContact CB-O 3.4Å; S250-S329 PolarHBondContact N-O 3Å; S250-S329 PolarHBondContact O-N 2.78Å
330	F	98.8	Very high	98.1	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155	172.3	65.7	-89.8	0	0	0	111	Y109 A229 I231 A242 Y246 N247 V249 I332	Y109-F330 AromaticContact CD2-CE1 3.7Å; Y109-F330 HydrophobicContact CD2-CE1 3.7Å; Y109-F330 AromaticContact CD2-CZ 3.81Å; Y109-F330 HydrophobicContact CD2-CZ 3.81Å; Y109-F330 AromaticContact CE2-CE1 3.68Å; Y109-F330 HydrophobicContact CE2-CE1 3.68Å; Y109-F330 AromaticContact CE2-CZ 3.63Å; Y109-F330 HydrophobicContact CE2-CZ 3.63Å; A229-F330 HydrophobicContact CB-CD1 3.87Å; A229-F330 HydrophobicContact CB-CD2 4.07Å; A229-F330 HydrophobicContact CB-CE1 3.47Å; A229-F330 VanDerWaalsContact CB-CE1 3.47Å; A229-F330 HydrophobicContact CB-CE2 3.71Å; A229-F330 HydrophobicContact CB-CG 4.15Å; A229-F330 HydrophobicContact CB-CZ 3.39Å; A229-F330 PolarHBondContact N-O 3.32Å; A229-F330 PolarHBondContact O-N 3.22Å; I231-F330 HydrophobicContact CD1-CD1 4.46Å; A242-F330 HydrophobicContact CB-CD1 4.15Å; A242-F330 HydrophobicContact CB-CE1 3.7Å; A242-F330 HydrophobicContact CB-CZ 4.38Å; Y246-F330 HydrophobicContact CD2-CZ 4.19Å; N247-F330 WeakPolarHBondContact ND2-CD2 3.46Å; N247-F330 VanDerWaalsContact ND2-CG 3.31Å; N247-F330 WeakPolarHBondContact ND2-CG 3.22Å; N247-F330 WeakPolarHBondContact OD1-CD2 3.31Å; V249-F330 HydrophobicContact CG2-CD1 4.16Å; F330-I332 HydrophobicContact CE2-CG1 4.5Å
331	P	98.7	Very high	98.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	149.3	178.4	34.9	-30.7	0	0	0	111.6	A149 L150 A153 F190 V225 N247	A149-P331 HydrophobicContact CB-CG 4.36Å; L150-P331 HydrophobicContact CB-CG 4.05Å; L150-P331 HydrophobicContact CD1-CB 4.17Å; L150-P331 HydrophobicContact CD1-CG 4Å; A153-P331 HydrophobicContact CB-CG 4.42Å; F190-P331 HydrophobicContact CD1-CB 3.77Å; F190-P331 HydrophobicContact CD1-CG 3.94Å; F190-P331 HydrophobicContact CE1-CB 4.02Å; F190-P331 HydrophobicContact CE1-CG 3.64Å; F190-P331 HydrophobicContact CG-CB 4.11Å; F190-P331 HydrophobicContact CZ-CG 4.08Å; V225-P331 HydrophobicContact CG1-CB 4.24Å; V225-P331 HydrophobicContact CG2-CB 4.05Å; N247-P331 PolarHBondContact OD1-O 3.26Å
332	I	98.7	Very high	98.1	Very high	74 Å²	74	25.5 Å²	25.5	38%	0.379	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.8	158.9	-63.6	167.2	0	0	0	106.4	K226 D227 F330	K226-I332 HydrophobicContact CB-CG2 4.43Å; K226-I332 WeakPolarHBondContact CB-O 3.37Å; K226-I332 PolarHBondContact N-O 3.07Å; D227-I332 HydrophobicContact CB-CB 4.14Å; D227-I332 HydrophobicContact CB-CD1 3.99Å; D227-I332 PolarHBondContact N-O 2.91Å; D227-I332 PolarHBondContact O-N 3.01Å; F330-I332 HydrophobicContact CE2-CG1 4.5Å
333	P	98.4	Very high	98	Very high	22 Å²	22	27.5 Å²	27.5	14%	0.143	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.1	-173.5	34.8	-37.1	0	0	0	110.4	L150 A153 V154 A157 F224 V335	L150-P333 HydrophobicContact CD1-CB 4.15Å; A153-P333 HydrophobicContact CB-CB 4.37Å; A153-P333 HydrophobicContact CB-CG 3.95Å; V154-P333 HydrophobicContact CG2-CB 3.85Å; A157-P333 HydrophobicContact CB-CG 4.25Å; F224-P333 WeakPolarHBondContact O-CA 3.39Å; P333-V335 HydrophobicContact CB-CG1 3.92Å; P333-V335 HydrophobicContact CG-CG1 4.22Å
334	L	98.3	Very high	98	Very high	95 Å²	95	29.8 Å²	29.8	50%	0.497	17%	0.17	S	C	.	.			trans	-95.1	106.3	167.3	176	69.8	0	0	0	107.1	F224 K226	F224-L334 HydrophobicContact CB-CB 3.78Å; F224-L334 HydrophobicContact CB-CD2 4.13Å; F224-L334 HydrophobicContact CB-CG 4.31Å; F224-L334 PolarHBondContact O-N 3.43Å; K226-L334 HydrophobicContact CB-CB 3.95Å; K226-L334 HydrophobicContact CG-CD1 4.46Å
335	V	93.6	Very high	97.9	Very high	133 Å²	133	32.5 Å²	32.5	81%	0.806	19%	0.185	S	C	*	.			trans	-126.1	0	-172.8	-65.5	0	0	0	0	113	V154 A157 T158 P333	V154-V335 HydrophobicContact CG1-CG1 4.43Å; V154-V335 HydrophobicContact CG2-CG1 4.3Å; A157-V335 HydrophobicContact CB-CG1 4.44Å; A157-V335 HydrophobicContact CB-CG2 3.94Å; T158-V335 HydrophobicContact CG2-CB 3.56Å; T158-V335 HydrophobicContact CG2-CG1 3.59Å; T158-V335 HydrophobicContact CG2-CG2 4.04Å; P333-V335 HydrophobicContact CB-CG1 3.92Å; P333-V335 HydrophobicContact CG-CG1 4.22Å

Retrieved 335 of 335 residues in 104.4 ms (Link to these results)

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