CYSP_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession P25792, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 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	51.1	Low	44.2	Very low	244 Å²	244	144 Å²	144	100%	1.202	83%	0.83	S	S	*	*				0	98.6	0	-70.7	-178.5	-168.2	0	0	107.2
2	L	36.4	Very low	44.5	Very low	160 Å²	160	143.3 Å²	143.3	84%	0.838	82%	0.819	S	S	*	*			trans	-90.1	132.3	177	-84.3	91.8	0	0	0	109.2
3	T	43.9	Very low	44.5	Very low	144 Å²	144	140.8 Å²	140.8	88%	0.883	81%	0.808	S	S	*	*			trans	-145.1	90.6	153.7	28.5	0	0	0	0	107.9
4	S	44.1	Very low	44.6	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	81%	0.81	S	S	*	*			trans	-89	128.8	172.8	-64.7	0	0	0	0	109.9
5	I	46.8	Very low	44.4	Very low	155 Å²	155	145.2 Å²	145.2	80%	0.795	81%	0.811	S	S	*	*			trans	-72.2	122.4	178.4	-65.6	162.9	0	0	0	109
6	L	43.9	Very low	44.1	Very low	155 Å²	155	145.8 Å²	145.8	81%	0.812	81%	0.806	S	S	*	*			trans	-95.3	106	166.9	-115.4	90.6	0	0	0	109
7	C	42.9	Very low	44	Very low	119 Å²	119	142.2 Å²	142.2	80%	0.804	80%	0.8	S	S	*	*			trans	-81.6	115.6	163.5	-84.1	0	0	0	0	109	A9	C7-A9 PolarHBondContact O-N 2.65Å
8	I	48.3	Very low	43.8	Very low	153 Å²	153	143.8 Å²	143.8	79%	0.785	80%	0.799	S	S	*	*			trans	-83.6	105.1	170.7	-63.3	169.2	0	0	0	107.3
9	A	44	Very low	43.9	Very low	91 Å²	91	142.1 Å²	142.1	75%	0.752	79%	0.787	S	S	*	*			trans	-83.8	111.6	166.3	0	0	0	0	0	108.5	C7 L11	C7-A9 PolarHBondContact O-N 2.65Å; A9-L11 PolarHBondContact O-N 3Å
10	S	44.8	Very low	43.6	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	78%	0.782	S	S	*	*			trans	-76.7	111.4	171.8	43.7	0	0	0	0	110.1	I12	S10-I12 PolarHBondContact O-N 3.09Å
11	L	39.7	Very low	43.9	Very low	158 Å²	158	137.6 Å²	137.6	83%	0.827	77%	0.771	S	S	*	*			trans	-68	115.4	165.4	-94.1	93.9	0	0	0	109.3	A9	A9-L11 PolarHBondContact O-N 3Å
12	I	48.5	Very low	43.9	Very low	136 Å²	136	133.3 Å²	133.3	70%	0.697	75%	0.746	S	S	*	*			trans	-87.5	102.7	163.4	-62.4	172.7	0	0	0	106.7	S10 F14	S10-I12 PolarHBondContact O-N 3.09Å; I12-F14 HydrophobicContact CG2-CD2 3.93Å; I12-F14 HydrophobicContact CG2-CE2 3.9Å; I12-F14 PolarHBondContact O-N 2.74Å
13	T	44.3	Very low	44.9	Very low	111 Å²	111	131.3 Å²	131.3	68%	0.681	74%	0.736	S	S	*	*			trans	-78.5	105.3	167	48.2	0	0	0	0	109	L15	T13-L15 PolarHBondContact O-N 2.72Å
14	F	46.2	Very low	46.1	Very low	188 Å²	188	129.1 Å²	129.1	83%	0.825	72%	0.716	S	S	*	*			trans	-69.7	106.2	163.3	-89.2	-91.5	0	0	0	108.3	I12 E16	I12-F14 HydrophobicContact CG2-CD2 3.93Å; I12-F14 HydrophobicContact CG2-CE2 3.9Å; I12-F14 PolarHBondContact O-N 2.74Å; F14-E16 PolarHBondContact O-N 3.45Å
15	L	40.6	Very low	48	Very low	159 Å²	159	132 Å²	132	83%	0.832	72%	0.715	S	S	*	*			trans	-76.6	96.3	166.3	-129.6	89.6	0	0	0	107.2	T13 A17	T13-L15 PolarHBondContact O-N 2.72Å; L15-A17 PolarHBondContact O-N 2.98Å; L15-A17 VanDerWaalsContact O-N 3.15Å
16	E	40.4	Very low	50.2	Low	155 Å²	155	126.7 Å²	126.7	72%	0.724	69%	0.687	S	S	*	*			trans	-71.3	102.9	162.1	-75.1	-174.1	164.1	0	0	107.6	F14 H18	F14-E16 PolarHBondContact O-N 3.45Å; E16-H18 VanDerWaalsContact C-N 3.32Å; E16-H18 PolarHBondContact O-N 2.88Å
17	A	41.7	Very low	52.5	Low	85 Å²	85	126.1 Å²	126.1	70%	0.702	68%	0.679	S	S	*	*			trans	-67.3	93.4	169.2	0	0	0	0	0	108.6	L15 I19	L15-A17 PolarHBondContact O-N 2.98Å; L15-A17 VanDerWaalsContact O-N 3.15Å; A17-I19 VanDerWaalsContact C-N 3.26Å; A17-I19 PolarHBondContact O-N 3.19Å
18	H	40.7	Very low	54.9	Low	170 Å²	170	121.3 Å²	121.3	79%	0.787	65%	0.647	S	S	*	*			trans	-65.3	91	161.8	-78	-57	0	0	0	108.5	E16 S20	E16-H18 VanDerWaalsContact C-N 3.32Å; E16-H18 PolarHBondContact O-N 2.88Å; H18-S20 VanDerWaalsContact C-N 3.33Å; H18-S20 PolarHBondContact O-N 3.32Å
19	I	45.5	Very low	57	Low	112 Å²	112	115.4 Å²	115.4	57%	0.574	62%	0.617	S	S	*	*			trans	-64.4	100.6	163.3	-68.6	169.1	0	0	0	106.1	A17 V21 P41	A17-I19 VanDerWaalsContact C-N 3.26Å; A17-I19 PolarHBondContact O-N 3.19Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 HydrophobicContact CG2-CG2 4.31Å; I19-V21 PolarHBondContact O-N 2.7Å; I19-P41 HydrophobicContact CD1-CG 4.44Å
20	S	38.5	Very low	59.5	Low	98 Å²	98	112.1 Å²	112.1	69%	0.685	59%	0.589	S	S	*	*			trans	-62.3	98.9	163.5	170.1	0	0	0	0	107.2	H18 K22	H18-S20 VanDerWaalsContact C-N 3.33Å; H18-S20 PolarHBondContact O-N 3.32Å; S20-K22 PolarHBondContact O-N 3.36Å
21	V	49.9	Very low	61.9	Low	92 Å²	92	112.1 Å²	112.1	56%	0.558	58%	0.58	S	S	*	*			trans	-66.4	87.1	170	-175.8	0	0	0	0	107	I19 N23	I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 HydrophobicContact CG2-CG2 4.31Å; I19-V21 PolarHBondContact O-N 2.7Å; V21-N23 PolarHBondContact O-N 3.21Å
22	K	50.2	Low	64.6	Low	154 Å²	154	109.7 Å²	109.7	67%	0.67	57%	0.568	S	S	*	*			trans	-63.4	127.4	160.6	-82.5	-176.3	175.6	179.4	0	105.7	S20 E24	S20-K22 PolarHBondContact O-N 3.36Å; K22-E24 HydrophobicContact CB-CG 4.39Å; K22-E24 PolarHBondContact O-N 3.48Å
23	N	58.2	Low	66.9	Low	118 Å²	118	103.3 Å²	103.3	63%	0.631	54%	0.535	S	S	*	.			trans	-66.8	78.3	170.5	-119.3	11.1	0	0	0	107.8	V21 K25	V21-N23 PolarHBondContact O-N 3.21Å; N23-K25 PolarHBondContact O-N 3.18Å
24	E	69.4	Low	69.4	Low	97 Å²	97	98.8 Å²	98.8	45%	0.453	51%	0.507	S	S	.	.			trans	-68.3	117.6	172.3	-73.2	-176.4	168.9	0	0	107.3	K22 F26 Y36 T280	K22-E24 HydrophobicContact CB-CG 4.39Å; K22-E24 PolarHBondContact O-N 3.48Å; E24-F26 HydrophobicContact CB-CD2 4.4Å; E24-F26 HydrophobicContact CB-CE2 3.49Å; E24-F26 VanDerWaalsContact CB-CE2 3.49Å; E24-F26 HydrophobicContact CB-CZ 3.6Å; E24-F26 VanDerWaalsContact O-CD2 3.29Å; E24-F26 WeakPolarHBondContact O-CD2 3.26Å; E24-F26 WeakPolarHBondContact O-CE2 3.35Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.22Å; E24-Y36 WeakPolarHBondContact OE2-CE2 3.48Å; E24-T280 PolarHBondContact O-OG1 3.28Å
25	K	83.9	Confident	71.9	Confident	164 Å²	164	92.4 Å²	92.4	71%	0.713	49%	0.486	S	S	*	.			trans	-87.4	120.5	178.4	-66.4	-169.6	171.7	-156.3	0	108.3	N23 E282	N23-K25 PolarHBondContact O-N 3.18Å; K25-E282 WeakPolarHBondContact CE-OE1 3.21Å; K25-E282 IonicContact NZ-OE1 2.74Å; K25-E282 PolarHBondContact NZ-OE1 3.25Å
26	F	91.7	Very high	74.6	Confident	45 Å²	45	86.8 Å²	86.8	20%	0.197	45%	0.454	C	S	.	.			trans	-109.9	152	175.3	-59.3	-83.1	0	0	0	109.5	E24 P28 D32 I33 Y36 T280	E24-F26 HydrophobicContact CB-CD2 4.4Å; E24-F26 HydrophobicContact CB-CE2 3.49Å; E24-F26 VanDerWaalsContact CB-CE2 3.49Å; E24-F26 HydrophobicContact CB-CZ 3.6Å; E24-F26 VanDerWaalsContact O-CD2 3.29Å; E24-F26 WeakPolarHBondContact O-CD2 3.26Å; E24-F26 WeakPolarHBondContact O-CE2 3.35Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.22Å; F26-P28 WeakPolarHBondContact O-CD 3.29Å; F26-D32 HydrophobicContact CD1-CB 4.02Å; F26-I33 HydrophobicContact CB-CB 3.63Å; F26-I33 HydrophobicContact CB-CD1 4.41Å; F26-I33 HydrophobicContact CB-CG1 4.02Å; F26-I33 HydrophobicContact CD2-CG1 4.44Å; F26-I33 HydrophobicContact CG-CB 4.19Å; F26-I33 HydrophobicContact CG-CG1 4.42Å; F26-Y36 HydrophobicContact CD2-CD1 4.21Å; F26-Y36 HydrophobicContact CD2-CG 4.25Å; F26-Y36 HydrophobicContact CE1-CD2 4.24Å; F26-Y36 HydrophobicContact CE1-CG 4.21Å; F26-Y36 AromaticContact CE2-CD1 3.54Å; F26-Y36 HydrophobicContact CE2-CD1 3.54Å; F26-Y36 AromaticContact CE2-CD2 3.57Å; F26-Y36 HydrophobicContact CE2-CD2 3.57Å; F26-Y36 AromaticContact CE2-CE1 3.86Å; F26-Y36 HydrophobicContact CE2-CE1 3.86Å; F26-Y36 AromaticContact CE2-CE2 3.86Å; F26-Y36 HydrophobicContact CE2-CE2 3.86Å; F26-Y36 AromaticContact CE2-CG 3.38Å; F26-Y36 HydrophobicContact CE2-CG 3.38Å; F26-Y36 HydrophobicContact CZ-CD1 4.05Å; F26-Y36 AromaticContact CZ-CD2 3.24Å; F26-Y36 HydrophobicContact CZ-CD2 3.24Å; F26-Y36 AromaticContact CZ-CE2 3.79Å; F26-Y36 HydrophobicContact CZ-CE2 3.79Å; F26-Y36 AromaticContact CZ-CG 3.37Å; F26-Y36 HydrophobicContact CZ-CG 3.37Å; F26-T280 HydrophobicContact CD2-CG2 4.01Å; F26-T280 HydrophobicContact CE2-CG2 4.41Å
27	E	93.4	Very high	77.3	Confident	142 Å²	142	79.4 Å²	79.4	66%	0.664	42%	0.419	S	S	*	.			trans	-64.8	127.6	170.9	-177.3	63.6	-162.7	0	0	108.6	S30	E27-S30 WeakPolarHBondContact O-CB 3.32Å; E27-S30 PolarHBondContact O-N 2.91Å; E27-S30 PolarHBondContact O-OG 2.98Å
28	P	92.4	Very high	80	Confident	19 Å²	19	78 Å²	78	12%	0.123	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	144.4	-178.9	-27.3	38.3	0	0	0	112.2	F26 S30 L56 E266	F26-P28 WeakPolarHBondContact O-CD 3.29Å; P28-S30 PolarHBondContact O-N 3.37Å; P28-L56 HydrophobicContact CB-CD2 3.53Å; P28-L56 HydrophobicContact CB-CG 4.17Å; P28-L56 HydrophobicContact CG-CD1 4.13Å; P28-L56 HydrophobicContact CG-CD2 3.99Å; P28-L56 HydrophobicContact CG-CG 4.29Å; P28-E266 HydrophobicContact CB-CB 4.12Å; P28-E266 HydrophobicContact CB-CG 4.1Å; P28-E266 HydrophobicContact CG-CB 4.18Å; P28-E266 HydrophobicContact CG-CG 3.82Å; P28-E266 VanDerWaalsContact CG-OE1 3.31Å; P28-E266 WeakPolarHBondContact CG-OE1 3.37Å
29	L	93.2	Very high	82.7	Confident	28 Å²	28	77.4 Å²	77.4	15%	0.147	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	1.5	-178.4	-54.6	167.5	0	0	0	115.6	F53 L269 N270	L29-F53 HydrophobicContact CD1-CB 3.93Å; L29-F53 HydrophobicContact CD2-CB 4.12Å; L29-L269 HydrophobicContact CD2-CB 3.57Å; L29-L269 HydrophobicContact CD2-CD1 4.06Å; L29-L269 HydrophobicContact CG-CD1 4.32Å; L29-N270 WeakPolarHBondContact CA-OD1 3.26Å
30	S	95.6	Very high	85.1	Confident	23 Å²	23	74 Å²	74	16%	0.161	38%	0.379	C	S	.	.	S	Bend	trans	-69.6	163.1	178	67.5	0	0	0	0	113.4	E27 P28 D32 I33 I34	E27-S30 WeakPolarHBondContact O-CB 3.32Å; E27-S30 PolarHBondContact O-N 2.91Å; E27-S30 PolarHBondContact O-OG 2.98Å; P28-S30 PolarHBondContact O-N 3.37Å; S30-D32 PolarHBondContact O-N 2.76Å; S30-D32 PolarHBondContact OG-N 2.88Å; S30-I33 VanDerWaalsContact O-CG2 3.26Å; S30-I33 WeakPolarHBondContact O-CG2 3.46Å; S30-I33 PolarHBondContact OG-N 2.87Å; S30-I34 VanDerWaalsContact O-CD1 3.31Å; S30-I34 WeakPolarHBondContact O-CD1 3.26Å; S30-I34 VanDerWaalsContact O-CG1 3.26Å; S30-I34 WeakPolarHBondContact O-CG1 3.46Å; S30-I34 PolarHBondContact O-N 3.06Å
31	D	96.5	Very high	87.7	Confident	100 Å²	100	74 Å²	74	54%	0.535	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-24.1	171.3	-65	-27.7	0	0	0	111.5	S35	D31-S35 WeakPolarHBondContact O-CB 3.49Å; D31-S35 PolarHBondContact O-N 2.84Å; D31-S35 PolarHBondContact O-OG 3.05Å
32	D	96.8	Very high	89.8	Confident	108 Å²	108	74.9 Å²	74.9	58%	0.578	38%	0.378	S	S	*	.	H	α-helix	trans	-69	-48.6	178.5	-62.4	-36.6	0	0	0	111.9	F26 S30 I34 S35 Y36	F26-D32 HydrophobicContact CD1-CB 4.02Å; S30-D32 PolarHBondContact O-N 2.76Å; S30-D32 PolarHBondContact OG-N 2.88Å; D32-I34 VanDerWaalsContact C-N 3.28Å; D32-I34 PolarHBondContact O-N 2.72Å; D32-S35 PolarHBondContact O-N 2.62Å; D32-Y36 WeakPolarHBondContact O-CB 3.25Å; D32-Y36 PolarHBondContact O-N 3.3Å
33	I	96.4	Very high	91.9	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-39	176.7	-166	173.8	0	0	0	110.8	F26 S30 Y36 I37 D267 T280	F26-I33 HydrophobicContact CB-CB 3.63Å; F26-I33 HydrophobicContact CB-CD1 4.41Å; F26-I33 HydrophobicContact CB-CG1 4.02Å; F26-I33 HydrophobicContact CD2-CG1 4.44Å; F26-I33 HydrophobicContact CG-CB 4.19Å; F26-I33 HydrophobicContact CG-CG1 4.42Å; S30-I33 VanDerWaalsContact O-CG2 3.26Å; S30-I33 WeakPolarHBondContact O-CG2 3.46Å; S30-I33 PolarHBondContact OG-N 2.87Å; I33-Y36 PolarHBondContact O-N 3.44Å; I33-I37 HydrophobicContact CG1-CD1 3.93Å; I33-I37 VanDerWaalsContact O-CD1 3.25Å; I33-I37 WeakPolarHBondContact O-CD1 3.2Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.44Å; I33-I37 PolarHBondContact O-N 3.44Å; I33-D267 HydrophobicContact CD1-CB 4.25Å; I33-T280 HydrophobicContact CD1-CG2 3.99Å; I33-T280 HydrophobicContact CG1-CG2 3.87Å
34	I	97.1	Very high	93.8	Very high	16 Å²	16	64.6 Å²	64.6	8%	0.082	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-47	177	-66.9	165.1	0	0	0	110.7	S30 D32 I37 N38 A47 K49 N270	S30-I34 VanDerWaalsContact O-CD1 3.31Å; S30-I34 WeakPolarHBondContact O-CD1 3.26Å; S30-I34 VanDerWaalsContact O-CG1 3.26Å; S30-I34 WeakPolarHBondContact O-CG1 3.46Å; S30-I34 PolarHBondContact O-N 3.06Å; D32-I34 VanDerWaalsContact C-N 3.28Å; D32-I34 PolarHBondContact O-N 2.72Å; I34-I37 PolarHBondContact O-N 3.29Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.32Å; I34-N38 WeakPolarHBondContact O-CB 3.5Å; I34-N38 PolarHBondContact O-N 2.79Å; I34-N38 PolarHBondContact O-ND2 3.27Å; I34-N38 VanDerWaalsContact O-ND2 3.1Å; I34-A47 HydrophobicContact CB-CB 4.43Å; I34-A47 HydrophobicContact CG1-CB 4.44Å; I34-A47 HydrophobicContact CG2-CB 4.15Å; I34-K49 HydrophobicContact CD1-CB 4.16Å; I34-N270 HydrophobicContact CG1-CB 4.2Å
35	S	97.6	Very high	95.2	Very high	54 Å²	54	60.5 Å²	60.5	38%	0.378	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-46.6	179.4	-58	0	0	0	0	110.7	D31 D32 I37 N38 E39	D31-S35 WeakPolarHBondContact O-CB 3.49Å; D31-S35 PolarHBondContact O-N 2.84Å; D31-S35 PolarHBondContact O-OG 3.05Å; D32-S35 PolarHBondContact O-N 2.62Å; S35-I37 VanDerWaalsContact C-N 3.34Å; S35-I37 PolarHBondContact O-N 3.34Å; S35-N38 PolarHBondContact O-N 3.07Å; S35-N38 VanDerWaalsContact O-N 3.15Å; S35-E39 WeakPolarHBondContact O-CB 3.39Å; S35-E39 WeakPolarHBondContact O-CG 3.34Å; S35-E39 PolarHBondContact O-N 3.21Å
36	Y	97	Very high	95.8	Very high	41 Å²	41	60 Å²	60	16%	0.161	32%	0.317	C	S	.	.	H	α-helix	trans	-53.7	-48.8	175.8	176.4	-100.3	0	0	0	112.2	E24 F26 D32 I33 E39 H40 I279 T280	E24-Y36 WeakPolarHBondContact OE2-CE2 3.48Å; F26-Y36 HydrophobicContact CD2-CD1 4.21Å; F26-Y36 HydrophobicContact CD2-CG 4.25Å; F26-Y36 HydrophobicContact CE1-CD2 4.24Å; F26-Y36 HydrophobicContact CE1-CG 4.21Å; F26-Y36 AromaticContact CE2-CD1 3.54Å; F26-Y36 HydrophobicContact CE2-CD1 3.54Å; F26-Y36 AromaticContact CE2-CD2 3.57Å; F26-Y36 HydrophobicContact CE2-CD2 3.57Å; F26-Y36 AromaticContact CE2-CE1 3.86Å; F26-Y36 HydrophobicContact CE2-CE1 3.86Å; F26-Y36 AromaticContact CE2-CE2 3.86Å; F26-Y36 HydrophobicContact CE2-CE2 3.86Å; F26-Y36 AromaticContact CE2-CG 3.38Å; F26-Y36 HydrophobicContact CE2-CG 3.38Å; F26-Y36 HydrophobicContact CZ-CD1 4.05Å; F26-Y36 AromaticContact CZ-CD2 3.24Å; F26-Y36 HydrophobicContact CZ-CD2 3.24Å; F26-Y36 AromaticContact CZ-CE2 3.79Å; F26-Y36 HydrophobicContact CZ-CE2 3.79Å; F26-Y36 AromaticContact CZ-CG 3.37Å; F26-Y36 HydrophobicContact CZ-CG 3.37Å; D32-Y36 WeakPolarHBondContact O-CB 3.25Å; D32-Y36 PolarHBondContact O-N 3.3Å; I33-Y36 PolarHBondContact O-N 3.44Å; Y36-E39 PolarHBondContact O-N 3.4Å; Y36-H40 VanDerWaalsContact O-CB 3.3Å; Y36-H40 WeakPolarHBondContact O-CB 3.37Å; Y36-H40 PolarHBondContact O-N 3.09Å; Y36-I279 HydrophobicContact CE1-CG2 3.74Å; Y36-T280 HydrophobicContact CD1-CG2 3.82Å; Y36-T280 HydrophobicContact CE1-CG2 3.82Å
37	I	97.3	Very high	96.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-46.5	178.3	-67.1	154.6	0	0	0	111.2	I33 I34 S35 E39 H40 A43 W45 A47 D267	I33-I37 HydrophobicContact CG1-CD1 3.93Å; I33-I37 VanDerWaalsContact O-CD1 3.25Å; I33-I37 WeakPolarHBondContact O-CD1 3.2Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.44Å; I33-I37 PolarHBondContact O-N 3.44Å; I34-I37 PolarHBondContact O-N 3.29Å; S35-I37 VanDerWaalsContact C-N 3.34Å; S35-I37 PolarHBondContact O-N 3.34Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.09Å; I37-H40 WeakPolarHBondContact O-CB 3.38Å; I37-H40 PolarHBondContact O-N 3.12Å; I37-A43 WeakPolarHBondContact O-CB 3.48Å; I37-W45 HydrophobicContact CB-CH2 4.44Å; I37-W45 HydrophobicContact CD1-CH2 3.44Å; I37-W45 VanDerWaalsContact CD1-CH2 3.44Å; I37-W45 HydrophobicContact CD1-CZ2 3.98Å; I37-W45 HydrophobicContact CD1-CZ3 4.17Å; I37-W45 HydrophobicContact CG1-CH2 3.99Å; I37-W45 HydrophobicContact CG1-CZ2 4.04Å; I37-W45 HydrophobicContact CG2-CD2 3.94Å; I37-W45 HydrophobicContact CG2-CE3 3.96Å; I37-W45 HydrophobicContact CG2-CH2 3.7Å; I37-W45 HydrophobicContact CG2-CZ2 3.65Å; I37-W45 HydrophobicContact CG2-CZ3 3.83Å; I37-A47 HydrophobicContact CB-CB 3.89Å; I37-A47 HydrophobicContact CD1-CB 3.8Å; I37-A47 HydrophobicContact CG1-CB 4.48Å; I37-A47 HydrophobicContact CG2-CB 3.77Å; I37-D267 HydrophobicContact CD1-CB 3.96Å
38	N	98.1	Very high	96.2	Very high	56 Å²	56	54.3 Å²	54.3	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-70.3	-25.6	-175.4	-75.4	-36.8	0	0	0	113.5	I34 S35 R46 A47	I34-N38 WeakPolarHBondContact CG2-ND2 3.32Å; I34-N38 WeakPolarHBondContact O-CB 3.5Å; I34-N38 PolarHBondContact O-N 2.79Å; I34-N38 PolarHBondContact O-ND2 3.27Å; I34-N38 VanDerWaalsContact O-ND2 3.1Å; S35-N38 PolarHBondContact O-N 3.07Å; S35-N38 VanDerWaalsContact O-N 3.15Å; N38-R46 WeakPolarHBondContact OD1-CA 3.41Å; N38-A47 PolarHBondContact ND2-O 3.19Å; N38-A47 PolarHBondContact OD1-N 3.33Å; N38-A47 PolarHBondContact OD1-O 3.45Å
39	E	97.4	Very high	96.2	Very high	158 Å²	158	59.4 Å²	59.4	74%	0.738	31%	0.313	S	S	*	.	H	α-helix	trans	-90.9	-14.3	176	-67.6	176.7	-175.5	0	0	112.6	S35 Y36 I37	S35-E39 WeakPolarHBondContact O-CB 3.39Å; S35-E39 WeakPolarHBondContact O-CG 3.34Å; S35-E39 PolarHBondContact O-N 3.21Å; Y36-E39 PolarHBondContact O-N 3.4Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.09Å
40	H	95.9	Very high	95.9	Very high	41 Å²	41	58.5 Å²	58.5	19%	0.19	31%	0.309	C	S	.	.			trans	-66.3	121.7	-176.9	-172.4	-70.7	0	0	0	111	Y36 I37 N42 A43	Y36-H40 VanDerWaalsContact O-CB 3.3Å; Y36-H40 WeakPolarHBondContact O-CB 3.37Å; Y36-H40 PolarHBondContact O-N 3.09Å; I37-H40 WeakPolarHBondContact O-CB 3.38Å; I37-H40 PolarHBondContact O-N 3.12Å; H40-N42 PolarHBondContact ND1-N 3.08Å; H40-N42 PolarHBondContact O-N 2.92Å; H40-A43 HydrophobicContact CB-CB 4.19Å; H40-A43 PolarHBondContact ND1-N 2.86Å; H40-A43 PolarHBondContact O-N 2.81Å; H40-A43 VanDerWaalsContact O-N 3.11Å
41	P	94.8	Very high	94.9	Very high	96 Å²	96	60.3 Å²	60.3	62%	0.623	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.2	-162.5	21.9	-34.5	0	0	0	114.1	I19	I19-P41 HydrophobicContact CD1-CG 4.44Å
42	N	92.5	Very high	94.4	Very high	112 Å²	112	55.7 Å²	55.7	60%	0.599	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	27.8	-177.2	-65.7	-32.4	0	0	0	112.2	H40 G44 K277	H40-N42 PolarHBondContact ND1-N 3.08Å; H40-N42 PolarHBondContact O-N 2.92Å; N42-G44 VanDerWaalsContact C-N 3.33Å; N42-G44 PolarHBondContact O-N 3.23Å; N42-K277 WeakPolarHBondContact O-CE 3.35Å; N42-K277 PolarHBondContact O-NZ 2.75Å
43	A	96	Very high	94.1	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	27%	0.265	C	S	.	.			trans	-56.5	-47	-178.5	0	0	0	0	0	112.4	I37 H40 W45 K277 I279	I37-A43 WeakPolarHBondContact O-CB 3.48Å; H40-A43 HydrophobicContact CB-CB 4.19Å; H40-A43 PolarHBondContact ND1-N 2.86Å; H40-A43 PolarHBondContact O-N 2.81Å; H40-A43 VanDerWaalsContact O-N 3.11Å; A43-W45 PolarHBondContact O-N 2.64Å; A43-K277 WeakPolarHBondContact O-CE 3.5Å; A43-I279 HydrophobicContact CB-CD1 3.53Å
44	G	96.8	Very high	93.6	Very high	51 Å²	51	57.4 Å²	57.4	53%	0.526	30%	0.296	S	S	.	.			trans	80.1	-4.8	-175.6	0	0	0	0	0	114	N42 I275	N42-G44 VanDerWaalsContact C-N 3.33Å; N42-G44 PolarHBondContact O-N 3.23Å; G44-I275 CarbonylContact C-O 3.57Å; G44-I275 PolarHBondContact O-N 3.46Å
45	W	98.5	Very high	93.4	Very high	10 Å²	10	58.7 Å²	58.7	4%	0.038	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.5	178.1	63.2	-81.8	0	0	0	111.1	I37 A43 A47 D267 Y271 S273 Y276 K277 I279	I37-W45 HydrophobicContact CB-CH2 4.44Å; I37-W45 HydrophobicContact CD1-CH2 3.44Å; I37-W45 VanDerWaalsContact CD1-CH2 3.44Å; I37-W45 HydrophobicContact CD1-CZ2 3.98Å; I37-W45 HydrophobicContact CD1-CZ3 4.17Å; I37-W45 HydrophobicContact CG1-CH2 3.99Å; I37-W45 HydrophobicContact CG1-CZ2 4.04Å; I37-W45 HydrophobicContact CG2-CD2 3.94Å; I37-W45 HydrophobicContact CG2-CE3 3.96Å; I37-W45 HydrophobicContact CG2-CH2 3.7Å; I37-W45 HydrophobicContact CG2-CZ2 3.65Å; I37-W45 HydrophobicContact CG2-CZ3 3.83Å; A43-W45 PolarHBondContact O-N 2.64Å; W45-A47 HydrophobicContact CH2-CB 4.49Å; W45-A47 HydrophobicContact CZ3-CB 3.89Å; W45-D267 HydrophobicContact CH2-CB 3.97Å; W45-D267 VanDerWaalsContact CH2-O 3.3Å; W45-D267 WeakPolarHBondContact CH2-O 3.07Å; W45-D267 HydrophobicContact CZ2-CB 4.08Å; W45-Y271 HydrophobicContact CB-CD2 4.38Å; W45-Y271 HydrophobicContact CB-CE2 4.2Å; W45-Y271 HydrophobicContact CD2-CD2 4.4Å; W45-Y271 AromaticContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CZ3-CD2 4.5Å; W45-S273 CarbonylContact C-O 3.49Å; W45-S273 WeakPolarHBondContact CA-O 3.31Å; W45-S273 VanDerWaalsContact CB-O 3.25Å; W45-S273 WeakPolarHBondContact CB-O 3.22Å; W45-Y276 HydrophobicContact CD2-CD2 4.03Å; W45-Y276 AromaticContact CE2-CD2 3.71Å; W45-Y276 HydrophobicContact CE3-CD2 4.43Å; W45-Y276 HydrophobicContact CG-CD2 4.48Å; W45-Y276 HydrophobicContact CH2-CD2 4.22Å; W45-Y276 HydrophobicContact CH2-CE2 4.16Å; W45-Y276 AromaticContact CZ2-CD2 3.84Å; W45-Y276 HydrophobicContact CZ2-CD2 3.84Å; W45-Y276 AromaticContact CZ2-CE2 3.78Å; W45-Y276 HydrophobicContact CZ2-CE2 3.78Å; W45-Y276 AromaticContact NE1-CD2 3.97Å; W45-K277 PolarHBondContact NE1-O 2.65Å; W45-I279 HydrophobicContact CZ2-CD1 4.47Å
46	R	98.1	Very high	93.1	Very high	154 Å²	154	57.9 Å²	57.9	58%	0.581	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.5	178.4	-66.4	-176.5	66.7	91.4	3.5	110.8	N38 K272 S273	N38-R46 WeakPolarHBondContact OD1-CA 3.41Å; R46-K272 WeakPolarHBondContact O-CB 3.48Å; R46-K272 PolarHBondContact O-N 2.94Å; R46-S273 PolarHBondContact N-O 2.63Å
47	A	97.6	Very high	92.9	Very high	6 Å²	6	60.9 Å²	60.9	5%	0.05	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	146.4	176.2	0	0	0	0	0	111.5	I34 I37 N38 W45 N270	I34-A47 HydrophobicContact CB-CB 4.43Å; I34-A47 HydrophobicContact CG1-CB 4.44Å; I34-A47 HydrophobicContact CG2-CB 4.15Å; I37-A47 HydrophobicContact CB-CB 3.89Å; I37-A47 HydrophobicContact CD1-CB 3.8Å; I37-A47 HydrophobicContact CG1-CB 4.48Å; I37-A47 HydrophobicContact CG2-CB 3.77Å; N38-A47 PolarHBondContact ND2-O 3.19Å; N38-A47 PolarHBondContact OD1-N 3.33Å; N38-A47 PolarHBondContact OD1-O 3.45Å; W45-A47 HydrophobicContact CH2-CB 4.49Å; W45-A47 HydrophobicContact CZ3-CB 3.89Å; A47-N270 CarbonylContact C-O 3.48Å; A47-N270 WeakPolarHBondContact CA-O 3.41Å; A47-N270 HydrophobicContact CB-CB 4.01Å
48	E	95.5	Very high	92.5	Very high	62 Å²	62	61.8 Å²	61.8	29%	0.29	32%	0.322	S	S	.	.			trans	-141	169.2	168.1	80.1	-177.1	-166.3	0	0	111.4	S50 H198 N270 K272	E48-S50 PolarHBondContact O-N 2.95Å; E48-H198 IonicContact OE1-CE1 3.43Å; E48-H198 PolarHBondContact OE1-CE1 2.76Å; E48-H198 IonicContact OE1-ND1 3.09Å; E48-H198 PolarHBondContact OE1-ND1 2.86Å; E48-H198 IonicContact OE1-NE2 3.55Å; E48-N270 PolarHBondContact N-O 3.11Å; E48-N270 WeakPolarHBondContact O-CA 3.42Å; E48-N270 WeakPolarHBondContact O-CB 3.46Å; E48-N270 PolarHBondContact O-ND2 3.48Å; E48-K272 HydrophobicContact CB-CB 4.33Å; E48-K272 VanDerWaalsContact CD-CE 3.43Å; E48-K272 HydrophobicContact CG-CB 3.91Å; E48-K272 HydrophobicContact CG-CD 4.18Å; E48-K272 HydrophobicContact CG-CG 4.17Å; E48-K272 WeakPolarHBondContact OE1-CD 3.2Å; E48-K272 WeakPolarHBondContact OE1-CE 3.39Å; E48-K272 IonicContact OE1-NZ 2.75Å; E48-K272 PolarHBondContact OE1-NZ 2.89Å; E48-K272 WeakPolarHBondContact OE2-CD 3.44Å; E48-K272 VanDerWaalsContact OE2-CE 3.23Å; E48-K272 WeakPolarHBondContact OE2-CE 3.49Å; E48-K272 VanDerWaalsContact OE2-CG 3.31Å; E48-K272 WeakPolarHBondContact OE2-CG 3.49Å; E48-K272 IonicContact OE2-NZ 3.77Å
49	K	92.7	Very high	92.2	Very high	125 Å²	125	59.1 Å²	59.1	54%	0.543	31%	0.307	S	S	.	.			trans	-64.6	122.1	177.5	-171.8	168.4	-171.8	159.2	0	110.6	I34	I34-K49 HydrophobicContact CD1-CB 4.16Å
50	S	85	Confident	92.1	Very high	10 Å²	10	56.8 Å²	56.8	7%	0.07	29%	0.291	C	S	.	.			trans	-71.6	135.6	172.2	-170.7	0	0	0	0	110.1	E48 R52 F53	E48-S50 PolarHBondContact O-N 2.95Å; S50-R52 PolarHBondContact OG-N 2.86Å; S50-F53 WeakPolarHBondContact OG-CD2 3.44Å; S50-F53 PolarHBondContact OG-N 2.81Å; S50-F53 VanDerWaalsContact OG-N 3.16Å
51	N	76.5	Confident	92	Very high	61 Å²	61	56.5 Å²	56.5	33%	0.326	29%	0.291	S	S	.	.	S	Bend	trans	-108.6	7.5	161.5	-30.8	-100.3	0	0	0	112.7	H54 H197 H198	N51-H54 PolarHBondContact O-NE2 2.9Å; N51-H197 CarbonylContact C-O 3.47Å; N51-H197 WeakPolarHBondContact CA-O 3.42Å; N51-H197 WeakPolarHBondContact CB-O 3.4Å; N51-H197 VanDerWaalsContact CG-O 3.26Å; N51-H197 PolarHBondContact N-O 3.21Å; N51-H197 VanDerWaalsContact N-O 3.12Å; N51-H197 PolarHBondContact ND2-O 2.74Å; N51-H198 WeakPolarHBondContact ND2-CA 2.94Å; N51-H198 PolarHBondContact ND2-ND1 2.96Å; N51-H198 VanDerWaalsContact ND2-ND1 3.18Å
52	R	85.2	Confident	91.9	Very high	3 Å²	3	52 Å²	52	1%	0.011	26%	0.262	C	S	.	.	S	Bend	trans	-87.7	-36.5	169.1	-155.7	-159.5	-174.7	40.2	8.7	111.9	S50 D110 C195 H197	S50-R52 PolarHBondContact OG-N 2.86Å; R52-D110 IonicContact CZ-OD1 3.15Å; R52-D110 IonicContact NH1-OD1 3.3Å; R52-D110 IonicContact NH1-OD2 2.72Å; R52-D110 IonicContact NH2-OD1 3.95Å; R52-D110 PolarHBondContact NH2-OD1 2.86Å; R52-C195 PolarHBondContact NH1-O 2.71Å; R52-C195 PolarHBondContact NH1-SG 3.36Å; R52-C195 VanDerWaalsContact NH1-SG 3.44Å; R52-H197 WeakPolarHBondContact CB-ND1 3.33Å; R52-H197 WeakPolarHBondContact CD-CE1 3.1Å; R52-H197 WeakPolarHBondContact CD-ND1 3.06Å; R52-H197 WeakPolarHBondContact CG-CE1 3.43Å; R52-H197 WeakPolarHBondContact CG-ND1 3.35Å; R52-H197 VanDerWaalsContact CZ-CE1 3.45Å; R52-H197 PolarHBondContact NE-CE1 2.9Å; R52-H197 PolarHBondContact NH1-CE1 3.39Å; R52-H197 PolarHBondContact NH1-NE2 2.94Å
53	F	89.7	Confident	91.9	Very high	2 Å²	2	47 Å²	47	1%	0.009	24%	0.235	C	C	.	.			trans	-114.1	122.5	-177.4	-47.7	-58.6	0	0	0	108.8	L29 S50 D58 A59 Q62 L269 W309	L29-F53 HydrophobicContact CD1-CB 3.93Å; L29-F53 HydrophobicContact CD2-CB 4.12Å; S50-F53 WeakPolarHBondContact OG-CD2 3.44Å; S50-F53 PolarHBondContact OG-N 2.81Å; S50-F53 VanDerWaalsContact OG-N 3.16Å; F53-D58 HydrophobicContact CD1-CB 4.41Å; F53-A59 HydrophobicContact CD1-CB 3.87Å; F53-A59 HydrophobicContact CE1-CB 4.17Å; F53-A59 HydrophobicContact CG-CB 4.17Å; F53-Q62 HydrophobicContact CE1-CB 4.17Å; F53-L269 HydrophobicContact CD2-CB 3.93Å; F53-L269 HydrophobicContact CD2-CD2 4Å; F53-L269 HydrophobicContact CD2-CG 4.42Å; F53-L269 HydrophobicContact CE2-CB 4.42Å; F53-L269 HydrophobicContact CE2-CD2 3.93Å; F53-L269 HydrophobicContact CZ-CD2 4.44Å; F53-W309 HydrophobicContact CE2-CE3 4.04Å; F53-W309 HydrophobicContact CE2-CH2 4.07Å; F53-W309 AromaticContact CE2-CZ3 3.71Å; F53-W309 HydrophobicContact CE2-CZ3 3.71Å; F53-W309 AromaticContact CZ-CD2 3.9Å; F53-W309 HydrophobicContact CZ-CD2 3.9Å; F53-W309 AromaticContact CZ-CE2 3.92Å; F53-W309 AromaticContact CZ-CE3 3.68Å; F53-W309 HydrophobicContact CZ-CE3 3.68Å; F53-W309 AromaticContact CZ-CH2 3.62Å; F53-W309 HydrophobicContact CZ-CH2 3.62Å; F53-W309 AromaticContact CZ-CZ2 3.81Å; F53-W309 HydrophobicContact CZ-CZ2 3.81Å; F53-W309 AromaticContact CZ-CZ3 3.55Å; F53-W309 HydrophobicContact CZ-CZ3 3.55Å
54	H	87.4	Confident	91.9	Very high	142 Å²	142	47.3 Å²	47.3	66%	0.657	24%	0.238	S	C	*	.	S	Bend	trans	-111.7	-4.9	172.8	-57.6	-56.8	0	0	0	112.1	N51 D58	N51-H54 PolarHBondContact O-NE2 2.9Å; H54-D58 PolarHBondContact N-OD2 3.29Å
55	S	91.5	Very high	91.9	Very high	44 Å²	44	45.3 Å²	45.3	31%	0.308	22%	0.217	S	C	.	.	S	Bend	trans	-155.4	163.3	177.7	62.2	0	0	0	0	109.8	D57 D58 A59	S55-D57 PolarHBondContact O-N 3.23Å; S55-D58 PolarHBondContact N-OD2 3.49Å; S55-D58 WeakPolarHBondContact O-CB 3.19Å; S55-D58 PolarHBondContact O-N 3.48Å; S55-D58 PolarHBondContact OG-N 3.15Å; S55-D58 VanDerWaalsContact OG-N 3.11Å; S55-D58 PolarHBondContact OG-OD2 3.5Å; S55-A59 PolarHBondContact O-N 3.2Å
56	L	92.5	Very high	91.8	Very high	37 Å²	37	50.7 Å²	50.7	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-31.3	171	-66	-173	0	0	0	112.4	P28 A59 R60 E266 L269 L284	P28-L56 HydrophobicContact CB-CD2 3.53Å; P28-L56 HydrophobicContact CB-CG 4.17Å; P28-L56 HydrophobicContact CG-CD1 4.13Å; P28-L56 HydrophobicContact CG-CD2 3.99Å; P28-L56 HydrophobicContact CG-CG 4.29Å; L56-A59 WeakPolarHBondContact O-CB 3.2Å; L56-A59 PolarHBondContact O-N 2.04Å; L56-R60 WeakPolarHBondContact O-CG 3.37Å; L56-R60 PolarHBondContact O-N 2.58Å; L56-E266 HydrophobicContact CD2-CG 4.13Å; L56-L269 HydrophobicContact CD2-CD1 4.01Å; L56-L284 HydrophobicContact CD1-CD2 3.97Å; L56-L284 HydrophobicContact CD2-CD1 3.96Å; L56-L284 HydrophobicContact CD2-CD2 3.75Å; L56-L284 HydrophobicContact CG-CD2 4.31Å
57	D	92	Very high	91.7	Very high	103 Å²	103	51.1 Å²	51.1	55%	0.551	24%	0.239	S	C	*	.	H	α-helix	trans	-69.2	-35.6	178.4	-69.2	-16.4	0	0	0	111.6	S55 A59 R60 I61	S55-D57 PolarHBondContact O-N 3.23Å; D57-A59 VanDerWaalsContact C-N 3.26Å; D57-A59 PolarHBondContact O-N 2.87Å; D57-R60 PolarHBondContact O-N 3.3Å; D57-R60 IonicContact OD1-NH1 3.87Å; D57-R60 PolarHBondContact OD1-NH1 3.34Å; D57-I61 WeakPolarHBondContact O-CG1 3.47Å; D57-I61 WeakPolarHBondContact O-CG2 3.04Å; D57-I61 PolarHBondContact O-N 3.11Å; D57-I61 VanDerWaalsContact O-N 3.17Å
58	D	89.4	Confident	91.7	Very high	20 Å²	20	51 Å²	51	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-38.7	170.6	-69.5	-42	0	0	0	111.9	F53 H54 S55 I61 Q62 R113	F53-D58 HydrophobicContact CD1-CB 4.41Å; H54-D58 PolarHBondContact N-OD2 3.29Å; S55-D58 PolarHBondContact N-OD2 3.49Å; S55-D58 WeakPolarHBondContact O-CB 3.19Å; S55-D58 PolarHBondContact O-N 3.48Å; S55-D58 PolarHBondContact OG-N 3.15Å; S55-D58 VanDerWaalsContact OG-N 3.11Å; S55-D58 PolarHBondContact OG-OD2 3.5Å; D58-I61 WeakPolarHBondContact O-CG1 3.03Å; D58-Q62 VanDerWaalsContact O-CG 3.27Å; D58-Q62 WeakPolarHBondContact O-CG 3.49Å; D58-Q62 PolarHBondContact O-NE2 3.15Å; D58-R113 IonicContact OD1-CZ 3.74Å; D58-R113 VanDerWaalsContact OD1-CZ 3.29Å; D58-R113 IonicContact OD1-NH1 2.7Å; D58-R113 PolarHBondContact OD1-NH1 2.87Å; D58-R113 IonicContact OD1-NH2 2.64Å; D58-R113 PolarHBondContact OD1-NH2 3.36Å
59	A	92.5	Very high	91.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-48.4	176.5	0	0	0	0	0	111.3	F53 S55 L56 D57 I61 Q62 M63 L269	F53-A59 HydrophobicContact CD1-CB 3.87Å; F53-A59 HydrophobicContact CE1-CB 4.17Å; F53-A59 HydrophobicContact CG-CB 4.17Å; S55-A59 PolarHBondContact O-N 3.2Å; L56-A59 WeakPolarHBondContact O-CB 3.2Å; L56-A59 PolarHBondContact O-N 2.04Å; D57-A59 VanDerWaalsContact C-N 3.26Å; D57-A59 PolarHBondContact O-N 2.87Å; A59-I61 PolarHBondContact O-N 2.02Å; A59-Q62 CarbonylContact O-C 3.45Å; A59-Q62 WeakPolarHBondContact O-CA 3.19Å; A59-Q62 PolarHBondContact O-N 2.98Å; A59-M63 HydrophobicContact CB-CE 4.33Å; A59-M63 PolarHBondContact O-N 2.9Å; A59-L269 HydrophobicContact CB-CD1 3.58Å; A59-L269 HydrophobicContact CB-CD2 3.62Å; A59-L269 HydrophobicContact CB-CG 4.27Å
60	R	93.9	Very high	92	Very high	108 Å²	108	50.8 Å²	50.8	41%	0.408	25%	0.246	S	C	.	.	H	α-helix	trans	-57.9	-42.6	-176	-74.7	177.9	-172.1	121.3	3	113.1	L56 D57 Q62 M63	L56-R60 WeakPolarHBondContact O-CG 3.37Å; L56-R60 PolarHBondContact O-N 2.58Å; D57-R60 PolarHBondContact O-N 3.3Å; D57-R60 IonicContact OD1-NH1 3.87Å; D57-R60 PolarHBondContact OD1-NH1 3.34Å; R60-Q62 PolarHBondContact O-N 3.12Å; R60-M63 HydrophobicContact CG-CE 4.27Å; R60-M63 PolarHBondContact O-N 2.79Å
61	I	93.2	Very high	92.6	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.185	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.2	178.5	70.5	174.5	0	0	0	113.6	D57 D58 A59 R113 C114 G115 I210	D57-I61 WeakPolarHBondContact O-CG1 3.47Å; D57-I61 WeakPolarHBondContact O-CG2 3.04Å; D57-I61 PolarHBondContact O-N 3.11Å; D57-I61 VanDerWaalsContact O-N 3.17Å; D58-I61 WeakPolarHBondContact O-CG1 3.03Å; A59-I61 PolarHBondContact O-N 2.02Å; I61-R113 HydrophobicContact CD1-CB 4.06Å; I61-R113 HydrophobicContact CD1-CG 4.42Å; I61-R113 VanDerWaalsContact CD1-CZ 3.44Å; I61-R113 VanDerWaalsContact CD1-NH2 3.27Å; I61-C114 CarbonylContact O-C 3.53Å; I61-G115 WeakPolarHBondContact O-CA 3.36Å; I61-G115 PolarHBondContact O-N 3.11Å; I61-I210 HydrophobicContact CD1-CG1 4.02Å
62	Q	93.3	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.3	176.8	-62.2	-176.5	80.4	0	0	111.6	F53 D58 A59 R60 Q111 W309	F53-Q62 HydrophobicContact CE1-CB 4.17Å; D58-Q62 VanDerWaalsContact O-CG 3.27Å; D58-Q62 WeakPolarHBondContact O-CG 3.49Å; D58-Q62 PolarHBondContact O-NE2 3.15Å; A59-Q62 CarbonylContact O-C 3.45Å; A59-Q62 WeakPolarHBondContact O-CA 3.19Å; A59-Q62 PolarHBondContact O-N 2.98Å; R60-Q62 PolarHBondContact O-N 3.12Å; Q62-Q111 VanDerWaalsContact O-CD 3.28Å; Q62-Q111 PolarHBondContact O-NE2 3.43Å; Q62-Q111 PolarHBondContact O-OE1 3.12Å; Q62-W309 PolarHBondContact O-NE1 2.7Å
63	M	93.3	Very high	94.2	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.044	27%	0.267	C	S	.	.			trans	-122.5	168	167.5	-63.4	-178.2	-67.8	0	0	108.1	A59 R60 G115 V264 L284 H287 W309	A59-M63 HydrophobicContact CB-CE 4.33Å; A59-M63 PolarHBondContact O-N 2.9Å; R60-M63 HydrophobicContact CG-CE 4.27Å; R60-M63 PolarHBondContact O-N 2.79Å; M63-G115 WeakPolarHBondContact O-CA 3.38Å; M63-V264 HydrophobicContact CE-CG1 4.48Å; M63-V264 HydrophobicContact SD-CB 3.44Å; M63-V264 WeakPolarHBondContact SD-CB 3.47Å; M63-V264 HydrophobicContact SD-CG1 3.61Å; M63-V264 HydrophobicContact SD-CG2 3.57Å; M63-V264 VanDerWaalsContact SD-CG2 3.57Å; M63-L284 HydrophobicContact CE-CB 3.79Å; M63-H287 HydrophobicContact CG-CB 4.13Å; M63-H287 HydrophobicContact SD-CB 4.38Å; M63-W309 HydrophobicContact CG-CZ2 4.13Å
64	G	94.9	Very high	94.5	Very high	10 Å²	10	61.9 Å²	61.9	10%	0.103	29%	0.292	C	S	.	.			trans	173.2	27.7	-175.4	0	0	0	0	0	114.7	G115 C117 W118 G160 G161 G286	G64-G115 WeakPolarHBondContact CA-O 3.05Å; G64-C117 PolarHBondContact N-SG 2.89Å; G64-W118 VanDerWaalsContact O-CD1 3.26Å; G64-G160 CarbonylContact O-C 3.21Å; G64-G160 WeakPolarHBondContact O-CA 3.5Å; G64-G161 PolarHBondContact O-N 2.99Å; G64-G286 PolarHBondContact N-O 2.89Å
65	A	97.5	Very high	95	Very high	9 Å²	9	62.3 Å²	62.3	7%	0.074	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-94.6	128.6	171.8	0	0	0	0	0	109.2	C117 L163 G286 A288	A65-C117 PolarHBondContact N-SG 3.27Å; A65-C117 VanDerWaalsContact N-SG 3.42Å; A65-L163 HydrophobicContact CB-CD1 4.01Å; A65-G286 PolarHBondContact N-O 3.16Å; A65-G286 CarbonylContact O-C 3.5Å; A65-G286 WeakPolarHBondContact O-CA 3.42Å; A65-A288 HydrophobicContact CB-CB 3.9Å
66	R	97	Very high	95.3	Very high	123 Å²	123	65.6 Å²	65.6	46%	0.464	30%	0.297	S	S	.	.			trans	-116.2	140.4	171.4	-53.4	-175.4	-161.1	-154.2	4.7	108.2	E159 G161 I162	R66-E159 PolarHBondContact NH2-O 3.37Å; R66-G161 PolarHBondContact N-O 3.06Å; R66-I162 HydrophobicContact CB-CG1 4.49Å
67	R	95.8	Very high	95.5	Very high	164 Å²	164	64.3 Å²	64.3	62%	0.619	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-61.4	138.8	177.1	-64.9	-167.7	-178.6	127.4	-1.9	110.5	S329 E333	R67-S329 PolarHBondContact NH2-OG 2.03Å; R67-E333 WeakPolarHBondContact CA-OE1 3.07Å; R67-E333 WeakPolarHBondContact CA-OE2 3.42Å
68	E	97.5	Very high	95.8	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.019	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-72.1	140.5	169.3	-168.3	165.8	-155.6	0	0	108.8	P70 L72 R73 R76 R77 I162 G164 E333	E68-P70 WeakPolarHBondContact O-CD 3.28Å; E68-L72 HydrophobicContact CG-CB 4.47Å; E68-R73 HydrophobicContact CB-CB 4.07Å; E68-R73 HydrophobicContact CG-CB 3.91Å; E68-R76 WeakPolarHBondContact OE1-CD 3.48Å; E68-R76 IonicContact OE1-CZ 3.85Å; E68-R76 IonicContact OE1-NE 2.96Å; E68-R76 IonicContact OE1-NH1 3.68Å; E68-R76 PolarHBondContact OE1-NH1 3.2Å; E68-R77 IonicContact OE1-NH2 3.84Å; E68-R77 PolarHBondContact OE1-NH2 3.05Å; E68-R77 IonicContact OE2-CZ 3.62Å; E68-R77 IonicContact OE2-NE 3.59Å; E68-R77 IonicContact OE2-NH2 2.77Å; E68-R77 PolarHBondContact OE2-NH2 2.95Å; E68-I162 HydrophobicContact CB-CG2 3.48Å; E68-I162 VanDerWaalsContact CB-CG2 3.48Å; E68-I162 HydrophobicContact CG-CG2 3.86Å; E68-G164 WeakPolarHBondContact OE2-CA 3.3Å; E68-E333 PolarHBondContact N-OE1 2.94Å
69	E	96.9	Very high	96.3	Very high	90 Å²	90	66.2 Å²	66.2	42%	0.421	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57	126.8	174.2	-169.7	-73.1	128.8	0	0	109	D71 L72 R73	E69-D71 VanDerWaalsContact C-N 3.31Å; E69-D71 VanDerWaalsContact CD-N 3.29Å; E69-D71 PolarHBondContact O-N 3Å; E69-D71 PolarHBondContact OE1-N 2.86Å; E69-D71 WeakPolarHBondContact OE2-CA 3.43Å; E69-D71 VanDerWaalsContact OE2-CB 3.25Å; E69-D71 WeakPolarHBondContact OE2-CB 3.47Å; E69-D71 PolarHBondContact OE2-N 3.39Å; E69-L72 HydrophobicContact CB-CB 4.31Å; E69-L72 HydrophobicContact CB-CD1 4.08Å; E69-L72 HydrophobicContact CB-CG 4.22Å; E69-L72 WeakPolarHBondContact O-CB 3.45Å; E69-L72 PolarHBondContact O-N 2.89Å; E69-L72 WeakPolarHBondContact OE2-CG 3.07Å; E69-L72 PolarHBondContact OE2-N 2.8Å; E69-R73 PolarHBondContact O-N 3.13Å
70	P	96.7	Very high	96.6	Very high	92 Å²	92	67.9 Å²	67.9	60%	0.597	32%	0.318	S	S	*	.	H	α-helix	trans	-56.2	-37.5	-169	-30.5	36.1	0	0	0	115.3	E68 R74	E68-P70 WeakPolarHBondContact O-CD 3.28Å; P70-R74 WeakPolarHBondContact O-CB 3.47Å; P70-R74 PolarHBondContact O-N 3.28Å; P70-R74 VanDerWaalsContact O-N 3.08Å
71	D	97.1	Very high	96.8	Very high	66 Å²	66	65.4 Å²	65.4	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-69.4	-41	176.7	-81	-7.1	0	0	0	112.1	E69 R74 K75	E69-D71 VanDerWaalsContact C-N 3.31Å; E69-D71 VanDerWaalsContact CD-N 3.29Å; E69-D71 PolarHBondContact O-N 3Å; E69-D71 PolarHBondContact OE1-N 2.86Å; E69-D71 WeakPolarHBondContact OE2-CA 3.43Å; E69-D71 VanDerWaalsContact OE2-CB 3.25Å; E69-D71 WeakPolarHBondContact OE2-CB 3.47Å; E69-D71 PolarHBondContact OE2-N 3.39Å; D71-R74 PolarHBondContact O-N 3.28Å; D71-R74 IonicContact OD1-CZ 2.96Å; D71-R74 IonicContact OD1-NH1 3.15Å; D71-R74 PolarHBondContact OD1-NH1 3.22Å; D71-R74 IonicContact OD1-NH2 4Å; D71-R74 PolarHBondContact OD1-NH2 3.49Å; D71-R74 IonicContact OD2-NH2 2.73Å; D71-K75 WeakPolarHBondContact O-CB 3.49Å; D71-K75 WeakPolarHBondContact O-CD 3.13Å; D71-K75 WeakPolarHBondContact O-CG 3.28Å; D71-K75 PolarHBondContact O-N 2.72Å; D71-K75 IonicContact OD2-NZ 2.69Å
72	L	97.4	Very high	97	Very high	73 Å²	73	65.1 Å²	65.1	38%	0.382	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-46.7	173.3	-67.7	-177.7	0	0	0	111.1	E68 E69 R74 K75 R76	E68-L72 HydrophobicContact CG-CB 4.47Å; E69-L72 HydrophobicContact CB-CB 4.31Å; E69-L72 HydrophobicContact CB-CD1 4.08Å; E69-L72 HydrophobicContact CB-CG 4.22Å; E69-L72 WeakPolarHBondContact O-CB 3.45Å; E69-L72 PolarHBondContact O-N 2.89Å; E69-L72 WeakPolarHBondContact OE2-CG 3.07Å; E69-L72 PolarHBondContact OE2-N 2.8Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 3.45Å; L72-K75 PolarHBondContact O-N 2.81Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.4Å; L72-R76 VanDerWaalsContact O-CG 3.26Å; L72-R76 WeakPolarHBondContact O-CG 3.37Å; L72-R76 PolarHBondContact O-N 2.68Å
73	R	97.9	Very high	97.2	Very high	28 Å²	28	69 Å²	69	11%	0.106	33%	0.331	C	S	.	.	H	α-helix	trans	-55.5	-43.6	177.1	-176.7	176	170.5	82.2	2.3	111.5	E68 E69 N240 V334	E68-R73 HydrophobicContact CB-CB 4.07Å; E68-R73 HydrophobicContact CG-CB 3.91Å; E69-R73 PolarHBondContact O-N 3.13Å; R73-N240 VanDerWaalsContact CZ-OD1 3.22Å; R73-N240 PolarHBondContact NH1-OD1 3.01Å; R73-N240 PolarHBondContact O-ND2 2.87Å; R73-V334 PolarHBondContact NH2-O 3.08Å
74	R	97.1	Very high	97.4	Very high	142 Å²	142	76.5 Å²	76.5	54%	0.536	37%	0.371	S	S	.	.	H	α-helix	trans	-70.6	-37.1	179	-174	177.1	69.3	-103.8	1.8	113.1	P70 D71 L72	P70-R74 WeakPolarHBondContact O-CB 3.47Å; P70-R74 PolarHBondContact O-N 3.28Å; P70-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 PolarHBondContact O-N 3.28Å; D71-R74 IonicContact OD1-CZ 2.96Å; D71-R74 IonicContact OD1-NH1 3.15Å; D71-R74 PolarHBondContact OD1-NH1 3.22Å; D71-R74 IonicContact OD1-NH2 4Å; D71-R74 PolarHBondContact OD1-NH2 3.49Å; D71-R74 IonicContact OD2-NH2 2.73Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 3.45Å
75	K	97.3	Very high	97.5	Very high	150 Å²	150	79.5 Å²	79.5	65%	0.652	38%	0.38	S	S	*	.	H	α-helix	trans	-85.8	-30.9	-174.4	-71.5	169.6	-175.9	166	0	113.7	D71 L72	D71-K75 WeakPolarHBondContact O-CB 3.49Å; D71-K75 WeakPolarHBondContact O-CD 3.13Å; D71-K75 WeakPolarHBondContact O-CG 3.28Å; D71-K75 PolarHBondContact O-N 2.72Å; D71-K75 IonicContact OD2-NZ 2.69Å; L72-K75 PolarHBondContact O-N 2.81Å
76	R	97.6	Very high	97.4	Very high	114 Å²	114	86.1 Å²	86.1	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-72.8	-32.4	-174.1	-78.6	172.4	171.9	173.8	-4.9	113.8	E68 L72	E68-R76 WeakPolarHBondContact OE1-CD 3.48Å; E68-R76 IonicContact OE1-CZ 3.85Å; E68-R76 IonicContact OE1-NE 2.96Å; E68-R76 IonicContact OE1-NH1 3.68Å; E68-R76 PolarHBondContact OE1-NH1 3.2Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.4Å; L72-R76 VanDerWaalsContact O-CG 3.26Å; L72-R76 WeakPolarHBondContact O-CG 3.37Å; L72-R76 PolarHBondContact O-N 2.68Å
77	R	98	Very high	97.5	Very high	10 Å²	10	82.8 Å²	82.8	4%	0.038	41%	0.407	C	S	.	.	S	Bend	trans	-150.8	155.4	-174.2	70.1	-167.2	109.7	-80.4	-2.2	111.1	E68 D168 N240	E68-R77 IonicContact OE1-NH2 3.84Å; E68-R77 PolarHBondContact OE1-NH2 3.05Å; E68-R77 IonicContact OE2-CZ 3.62Å; E68-R77 IonicContact OE2-NE 3.59Å; E68-R77 IonicContact OE2-NH2 2.77Å; E68-R77 PolarHBondContact OE2-NH2 2.95Å; R77-D168 IonicContact CZ-OD1 3.95Å; R77-D168 IonicContact CZ-OD2 3.29Å; R77-D168 IonicContact NH1-OD1 2.74Å; R77-D168 PolarHBondContact NH1-OD1 2.9Å; R77-D168 IonicContact NH1-OD2 2.74Å; R77-D168 PolarHBondContact NH1-OD2 3.03Å; R77-D168 IonicContact NH2-OD2 2.87Å; R77-N240 WeakPolarHBondContact CD-OD1 3.33Å; R77-N240 WeakPolarHBondContact CG-ND2 3.49Å; R77-N240 PolarHBondContact NE-OD1 3.45Å
78	P	98.4	Very high	97.6	Very high	89 Å²	89	83.4 Å²	83.4	58%	0.578	42%	0.417	S	S	*	.			trans	-67.8	162.9	175.3	29	-33.6	0	0	0	111.5	Y239 N240	P78-Y239 WeakPolarHBondContact O-CA 3.3Å; P78-Y239 WeakPolarHBondContact O-CB 3.21Å; P78-N240 PolarHBondContact O-N 3.02Å
79	T	98.8	Very high	97.6	Very high	74 Å²	74	85 Å²	85	45%	0.454	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.2	170.8	-59.4	0	0	0	0	108.9	N240 K242	T79-N240 CarbonylContact C-O 3.56Å; T79-N240 WeakPolarHBondContact CA-O 3.35Å; T79-N240 HydrophobicContact CG2-CB 4.19Å; T79-N240 PolarHBondContact OG1-ND2 3.06Å; T79-K242 HydrophobicContact CG2-CB 4.03Å
80	V	98.7	Very high	97.7	Very high	35 Å²	35	83.1 Å²	83.1	21%	0.212	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.3	177.3	-56.6	0	0	0	0	110.8	Y239 N240 V241 K242	V80-Y239 HydrophobicContact CB-CD2 4.34Å; V80-Y239 HydrophobicContact CG1-CD2 3.81Å; V80-Y239 HydrophobicContact CG1-CE2 4.32Å; V80-Y239 HydrophobicContact CG1-CG 3.97Å; V80-Y239 HydrophobicContact CG2-CD2 3.55Å; V80-Y239 HydrophobicContact CG2-CE2 3.73Å; V80-N240 PolarHBondContact N-O 2.92Å; V80-V241 HydrophobicContact CG2-CG2 4.2Å; V80-K242 PolarHBondContact O-N 3.4Å
81	D	98.3	Very high	97.7	Very high	56 Å²	56	82.7 Å²	82.7	30%	0.299	42%	0.42	S	S	.	.			trans	-124.2	-16.8	177.7	61.3	24.4	0	0	0	113.7	N83 K242 A247	D81-N83 PolarHBondContact O-N 2.62Å; D81-N83 WeakPolarHBondContact OD1-CB 3.3Å; D81-N83 PolarHBondContact OD1-N 3.37Å; D81-N83 PolarHBondContact OD1-ND2 2.93Å; D81-N83 PolarHBondContact OD2-ND2 2.76Å; D81-K242 HydrophobicContact CB-CB 4.13Å; D81-K242 HydrophobicContact CB-CD 3.76Å; D81-A247 VanDerWaalsContact O-CB 3.31Å; D81-A247 WeakPolarHBondContact O-CB 3.36Å
82	H	98.1	Very high	97.8	Very high	30 Å²	30	83.4 Å²	83.4	14%	0.139	42%	0.424	C	S	.	.			trans	54.7	31.7	-175.3	-55.4	-64.1	0	0	0	113.9	D84 W85 K250 E251 Y255	H82-D84 PolarHBondContact O-N 2.76Å; H82-W85 HydrophobicContact CB-CE3 4.46Å; H82-W85 PolarHBondContact O-N 2.72Å; H82-K250 HydrophobicContact CB-CB 3.91Å; H82-K250 HydrophobicContact CB-CD 3.64Å; H82-K250 HydrophobicContact CB-CG 4.43Å; H82-K250 PolarHBondContact O-NZ 3.3Å; H82-E251 IonicContact CD2-OE2 3.11Å; H82-E251 IonicContact CE1-OE2 3.18Å; H82-E251 PolarHBondContact CE1-OE2 2.73Å; H82-E251 VanDerWaalsContact CE1-OE2 3.3Å; H82-E251 IonicContact NE2-OE2 3.53Å; H82-E251 PolarHBondContact NE2-OE2 3.03Å; H82-Y255 AromaticContact CE1-CE2 3.67Å
83	N	97	Very high	97.9	Very high	82 Å²	82	81.1 Å²	81.1	44%	0.439	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-39.8	-179.9	-81.6	-31.1	0	0	0	112.7	D81 W85	D81-N83 PolarHBondContact O-N 2.62Å; D81-N83 WeakPolarHBondContact OD1-CB 3.3Å; D81-N83 PolarHBondContact OD1-N 3.37Å; D81-N83 PolarHBondContact OD1-ND2 2.93Å; D81-N83 PolarHBondContact OD2-ND2 2.76Å; N83-W85 PolarHBondContact O-N 2.76Å
84	D	96.8	Very high	97.9	Very high	165 Å²	165	81 Å²	81	88%	0.882	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-11	-179.5	-61.3	-30.8	0	0	0	113.7	H82 N86	H82-D84 PolarHBondContact O-N 2.76Å; D84-N86 PolarHBondContact O-N 3.39Å
85	W	97.4	Very high	98	Very high	73 Å²	73	74.2 Å²	74.2	28%	0.277	39%	0.387	S	S	.	.			trans	-97.8	89.8	177.3	-176.5	36.5	0	0	0	110.5	H82 N83 V87 K250 M253 K254	H82-W85 HydrophobicContact CB-CE3 4.46Å; H82-W85 PolarHBondContact O-N 2.72Å; N83-W85 PolarHBondContact O-N 2.76Å; W85-V87 HydrophobicContact CD2-CB 4.24Å; W85-V87 HydrophobicContact CD2-CG1 3.7Å; W85-V87 HydrophobicContact CE3-CG1 3.92Å; W85-V87 HydrophobicContact CG-CG1 4.28Å; W85-V87 HydrophobicContact CH2-CG1 3.94Å; W85-V87 HydrophobicContact CH2-CG2 4.5Å; W85-V87 HydrophobicContact CZ2-CB 3.93Å; W85-V87 HydrophobicContact CZ2-CG1 3.73Å; W85-V87 HydrophobicContact CZ2-CG2 3.84Å; W85-V87 HydrophobicContact CZ3-CG1 4.02Å; W85-V87 PolarHBondContact O-N 2.75Å; W85-K250 HydrophobicContact CE3-CB 3.93Å; W85-K250 HydrophobicContact CE3-CD 4.17Å; W85-K250 HydrophobicContact CE3-CG 4.06Å; W85-K250 HydrophobicContact CZ3-CB 3.74Å; W85-K250 HydrophobicContact CZ3-CG 4.05Å; W85-K250 WeakPolarHBondContact CZ3-O 3.22Å; W85-K250 WeakPolarHBondContact O-CE 3.23Å; W85-K250 PolarHBondContact O-NZ 2.71Å; W85-M253 HydrophobicContact CH2-CE 3.51Å; W85-M253 HydrophobicContact CH2-CG 4.19Å; W85-M253 HydrophobicContact CZ2-CE 4.19Å; W85-M253 HydrophobicContact CZ3-CE 3.88Å; W85-K254 HydrophobicContact CD2-CD 4.24Å; W85-K254 HydrophobicContact CE3-CD 3.84Å; W85-K254 HydrophobicContact CH2-CB 3.66Å; W85-K254 HydrophobicContact CH2-CD 3.7Å; W85-K254 HydrophobicContact CH2-CG 4.03Å; W85-K254 HydrophobicContact CZ2-CD 4.09Å; W85-K254 HydrophobicContact CZ3-CB 3.66Å; W85-K254 HydrophobicContact CZ3-CD 3.57Å; W85-K254 HydrophobicContact CZ3-CG 4.16Å
86	N	96.1	Very high	98.1	Very high	149 Å²	149	70.8 Å²	70.8	80%	0.797	37%	0.37	S	S	*	.			trans	-77.7	108.1	173.6	-70.9	-40.8	0	0	0	110.1	D84	D84-N86 PolarHBondContact O-N 3.39Å
87	V	97.7	Very high	98.1	Very high	52 Å²	52	73.5 Å²	73.5	32%	0.315	39%	0.385	S	S	.	.			trans	-143.1	143.2	-176.9	59.1	0	0	0	0	109	W85 I89 K250 M253	W85-V87 HydrophobicContact CD2-CB 4.24Å; W85-V87 HydrophobicContact CD2-CG1 3.7Å; W85-V87 HydrophobicContact CE3-CG1 3.92Å; W85-V87 HydrophobicContact CG-CG1 4.28Å; W85-V87 HydrophobicContact CH2-CG1 3.94Å; W85-V87 HydrophobicContact CH2-CG2 4.5Å; W85-V87 HydrophobicContact CZ2-CB 3.93Å; W85-V87 HydrophobicContact CZ2-CG1 3.73Å; W85-V87 HydrophobicContact CZ2-CG2 3.84Å; W85-V87 HydrophobicContact CZ3-CG1 4.02Å; W85-V87 PolarHBondContact O-N 2.75Å; V87-I89 PolarHBondContact O-N 3.15Å; V87-K250 HydrophobicContact CG1-CD 4.34Å; V87-K250 HydrophobicContact CG1-CG 4.1Å; V87-M253 HydrophobicContact CB-CE 4.21Å; V87-M253 HydrophobicContact CG1-CE 3.3Å; V87-M253 HydrophobicContact CG2-CE 3.82Å
88	E	97.8	Very high	98.2	Very high	177 Å²	177	78.1 Å²	78.1	83%	0.827	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-70.9	121.6	171	-170.3	-178.1	165	0	0	109.5
89	I	98.6	Very high	98.2	Very high	37 Å²	37	75.9 Å²	75.9	19%	0.19	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-90.1	121.4	178.9	-58.2	175.4	0	0	0	107.8	V87 K246 Q249 K250 M253 W294	V87-I89 PolarHBondContact O-N 3.15Å; I89-K246 HydrophobicContact CD1-CB 3.94Å; I89-K246 HydrophobicContact CD1-CG 4.08Å; I89-Q249 HydrophobicContact CD1-CB 4.13Å; I89-Q249 HydrophobicContact CG2-CB 3.8Å; I89-Q249 HydrophobicContact CG2-CG 4.21Å; I89-K250 HydrophobicContact CD1-CG 3.98Å; I89-K250 HydrophobicContact CG1-CG 4.34Å; I89-M253 HydrophobicContact CG1-CE 4.03Å; I89-M253 HydrophobicContact CG2-SD 4.46Å; I89-W294 HydrophobicContact CG2-CH2 4.32Å; I89-W294 HydrophobicContact CG2-CZ2 3.51Å
90	P	98.5	Very high	98.2	Very high	52 Å²	52	77.4 Å²	77.4	34%	0.338	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-64.7	148.6	179.2	28.5	-35.7	0	0	0	110.8	N92 F93 W294	P90-N92 PolarHBondContact O-N 3.47Å; P90-F93 HydrophobicContact CG-CB 4.39Å; P90-F93 HydrophobicContact CG-CD2 4.34Å; P90-W294 HydrophobicContact CG-CZ2 4.12Å; P90-W294 PolarHBondContact O-NE1 2.87Å
91	S	98.1	Very high	98.1	Very high	83 Å²	83	78.3 Å²	78.3	58%	0.58	41%	0.413	S	S	*	.	S	Bend	trans	-63.6	-25.8	178.8	59.3	0	0	0	0	113.6
92	N	98.7	Very high	98.1	Very high	81 Å²	81	76.2 Å²	76.2	43%	0.433	40%	0.402	S	S	.	.			trans	-135.2	137.9	177.2	-62.5	-92.6	0	0	0	109.8	P90 W294 G295 V296	P90-N92 PolarHBondContact O-N 3.47Å; N92-W294 WeakPolarHBondContact CA-O 3.43Å; N92-G295 WeakPolarHBondContact OD1-CA 3.21Å; N92-V296 PolarHBondContact OD1-N 2.87Å; N92-V296 VanDerWaalsContact OD1-N 3.17Å
93	F	98.9	Very high	98.1	Very high	24 Å²	24	82.3 Å²	82.3	11%	0.105	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	135.6	178.1	-177.1	-89.4	0	0	0	110	P90 S95 K98 W99 I252 M253 G293 W294	P90-F93 HydrophobicContact CG-CB 4.39Å; P90-F93 HydrophobicContact CG-CD2 4.34Å; F93-S95 WeakPolarHBondContact CE1-OG 3.41Å; F93-K98 HydrophobicContact CE2-CB 4.22Å; F93-K98 HydrophobicContact CE2-CD 3.53Å; F93-K98 HydrophobicContact CE2-CG 4.49Å; F93-K98 HydrophobicContact CZ-CB 4.03Å; F93-K98 HydrophobicContact CZ-CD 3.6Å; F93-K98 HydrophobicContact CZ-CG 4.43Å; F93-W99 HydrophobicContact CE1-CZ3 4.13Å; F93-W99 AromaticContact CZ-CH2 3.92Å; F93-W99 HydrophobicContact CZ-CH2 3.92Å; F93-W99 AromaticContact CZ-CZ3 3.72Å; F93-W99 HydrophobicContact CZ-CZ3 3.72Å; F93-I252 HydrophobicContact CD1-CG2 4Å; F93-I252 HydrophobicContact CE1-CG2 3.75Å; F93-M253 HydrophobicContact CD2-CB 3.85Å; F93-M253 HydrophobicContact CE1-CB 4.32Å; F93-M253 HydrophobicContact CE2-CB 3.49Å; F93-M253 VanDerWaalsContact CE2-CB 3.49Å; F93-M253 HydrophobicContact CG-CB 4.39Å; F93-M253 VanDerWaalsContact CZ-CA 3.47Å; F93-M253 HydrophobicContact CZ-CB 3.78Å; F93-G293 CarbonylContact O-C 3.17Å; F93-G293 WeakPolarHBondContact O-CA 3.45Å; F93-W294 HydrophobicContact CB-CD2 3.65Å; F93-W294 VanDerWaalsContact CB-CE2 3.4Å; F93-W294 HydrophobicContact CB-CE3 3.78Å; F93-W294 HydrophobicContact CB-CG 4.44Å; F93-W294 HydrophobicContact CB-CH2 3.58Å; F93-W294 HydrophobicContact CB-CZ2 3.37Å; F93-W294 HydrophobicContact CB-CZ3 3.74Å; F93-W294 HydrophobicContact CD1-CE3 4.1Å; F93-W294 AromaticContact CD1-CH2 3.99Å; F93-W294 HydrophobicContact CD1-CH2 3.99Å; F93-W294 AromaticContact CD1-CZ3 3.64Å; F93-W294 HydrophobicContact CD1-CZ3 3.64Å; F93-W294 HydrophobicContact CD2-CH2 4.22Å; F93-W294 HydrophobicContact CD2-CZ2 4.48Å; F93-W294 HydrophobicContact CE1-CZ3 4.47Å; F93-W294 HydrophobicContact CG-CE3 4.25Å; F93-W294 AromaticContact CG-CH2 3.66Å; F93-W294 HydrophobicContact CG-CH2 3.66Å; F93-W294 AromaticContact CG-CZ2 3.95Å; F93-W294 HydrophobicContact CG-CZ2 3.95Å; F93-W294 AromaticContact CG-CZ3 3.78Å; F93-W294 HydrophobicContact CG-CZ3 3.78Å; F93-W294 PolarHBondContact N-O 3.4Å; F93-W294 PolarHBondContact O-N 2.98Å; F93-W294 VanDerWaalsContact O-O 3.11Å
94	D	98.9	Very high	98.2	Very high	25 Å²	25	79.1 Å²	79.1	13%	0.134	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	114.4	175.7	-175.8	-20	0	0	0	108.5	R96 K97 K98	D94-R96 PolarHBondContact O-N 3.22Å; D94-R96 VanDerWaalsContact O-N 3.13Å; D94-R96 VanDerWaalsContact OD1-CB 3.23Å; D94-R96 WeakPolarHBondContact OD1-CB 3.5Å; D94-R96 WeakPolarHBondContact OD1-CG 3.34Å; D94-R96 IonicContact OD1-CZ 3.54Å; D94-R96 PolarHBondContact OD1-N 3.38Å; D94-R96 IonicContact OD1-NE 2.62Å; D94-R96 PolarHBondContact OD1-NE 3.46Å; D94-R96 IonicContact OD1-NH2 3.59Å; D94-R96 IonicContact OD2-CZ 3.79Å; D94-R96 IonicContact OD2-NE 3.72Å; D94-R96 PolarHBondContact OD2-NE 3.45Å; D94-R96 VanDerWaalsContact OD2-NE 3.15Å; D94-R96 IonicContact OD2-NH2 3.43Å; D94-R96 PolarHBondContact OD2-NH2 3.2Å; D94-K97 HydrophobicContact CB-CB 4.38Å; D94-K97 HydrophobicContact CB-CD 4.12Å; D94-K97 HydrophobicContact CB-CG 4.06Å; D94-K97 WeakPolarHBondContact O-CB 3.13Å; D94-K97 PolarHBondContact O-N 3.23Å; D94-K98 PolarHBondContact O-N 2.8Å; D94-K98 VanDerWaalsContact O-N 3.16Å
95	S	98.9	Very high	98.3	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-55.7	-31.3	-179.4	-66.3	0	0	0	0	112.4	F93 K97 K98 W99 I292	F93-S95 WeakPolarHBondContact CE1-OG 3.41Å; S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 3.29Å; S95-K98 PolarHBondContact O-N 3.44Å; S95-W99 PolarHBondContact O-N 2.91Å; S95-I292 WeakPolarHBondContact CB-O 3.36Å; S95-I292 PolarHBondContact N-O 2.99Å; S95-I292 PolarHBondContact OG-O 3.15Å
96	R	98.8	Very high	98.3	Very high	79 Å²	79	70.4 Å²	70.4	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-33.3	178.5	-56.9	171.2	-64.2	-176	4.7	111.6	D94 I105 A106 I292 Y318	D94-R96 PolarHBondContact O-N 3.22Å; D94-R96 VanDerWaalsContact O-N 3.13Å; D94-R96 VanDerWaalsContact OD1-CB 3.23Å; D94-R96 WeakPolarHBondContact OD1-CB 3.5Å; D94-R96 WeakPolarHBondContact OD1-CG 3.34Å; D94-R96 IonicContact OD1-CZ 3.54Å; D94-R96 PolarHBondContact OD1-N 3.38Å; D94-R96 IonicContact OD1-NE 2.62Å; D94-R96 PolarHBondContact OD1-NE 3.46Å; D94-R96 IonicContact OD1-NH2 3.59Å; D94-R96 IonicContact OD2-CZ 3.79Å; D94-R96 IonicContact OD2-NE 3.72Å; D94-R96 PolarHBondContact OD2-NE 3.45Å; D94-R96 VanDerWaalsContact OD2-NE 3.15Å; D94-R96 IonicContact OD2-NH2 3.43Å; D94-R96 PolarHBondContact OD2-NH2 3.2Å; R96-I105 HydrophobicContact CB-CG2 4.45Å; R96-I105 HydrophobicContact CG-CB 4.32Å; R96-I105 HydrophobicContact CG-CG2 3.61Å; R96-A106 HydrophobicContact CG-CB 4.19Å; R96-I292 HydrophobicContact CG-CD1 4.11Å; R96-Y318 VanDerWaalsContact NH1-CZ 3.29Å
97	K	98.7	Very high	98.4	Very high	171 Å²	171	66 Å²	66	74%	0.743	36%	0.357	S	S	*	.	H	α-helix	trans	-78.4	-37.1	176.5	-64.2	-176.7	-178	177.5	0	111.9	D94 S95	D94-K97 HydrophobicContact CB-CB 4.38Å; D94-K97 HydrophobicContact CB-CD 4.12Å; D94-K97 HydrophobicContact CB-CG 4.06Å; D94-K97 WeakPolarHBondContact O-CB 3.13Å; D94-K97 PolarHBondContact O-N 3.23Å; S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 3.29Å
98	K	98.6	Very high	98.5	Very high	107 Å²	107	64.3 Å²	64.3	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-72.6	-37.8	-179.9	-176.9	165.6	177.3	170.8	0	112.8	F93 D94 S95 P100 M253	F93-K98 HydrophobicContact CE2-CB 4.22Å; F93-K98 HydrophobicContact CE2-CD 3.53Å; F93-K98 HydrophobicContact CE2-CG 4.49Å; F93-K98 HydrophobicContact CZ-CB 4.03Å; F93-K98 HydrophobicContact CZ-CD 3.6Å; F93-K98 HydrophobicContact CZ-CG 4.43Å; D94-K98 PolarHBondContact O-N 2.8Å; D94-K98 VanDerWaalsContact O-N 3.16Å; S95-K98 PolarHBondContact O-N 3.44Å; K98-P100 VanDerWaalsContact C-CD 3.45Å; K98-P100 WeakPolarHBondContact O-CD 3.32Å; K98-M253 PolarHBondContact NZ-O 2.86Å
99	W	98.7	Very high	98.5	Very high	42 Å²	42	56.9 Å²	56.9	16%	0.159	31%	0.311	C	S	.	.			trans	-126	64.7	-176.5	-58.7	-76.7	0	0	0	112.1	F93 S95 G101 C102 I105 I132 I252 M253	F93-W99 HydrophobicContact CE1-CZ3 4.13Å; F93-W99 AromaticContact CZ-CH2 3.92Å; F93-W99 HydrophobicContact CZ-CH2 3.92Å; F93-W99 AromaticContact CZ-CZ3 3.72Å; F93-W99 HydrophobicContact CZ-CZ3 3.72Å; S95-W99 PolarHBondContact O-N 2.91Å; W99-G101 PolarHBondContact O-N 3.14Å; W99-G101 VanDerWaalsContact O-N 3.12Å; W99-C102 HydrophobicContact CB-CB 4.29Å; W99-C102 PolarHBondContact O-N 3.27Å; W99-I105 HydrophobicContact CB-CD1 3.7Å; W99-I105 HydrophobicContact CE3-CD1 4.32Å; W99-I132 HydrophobicContact CB-CG1 4.07Å; W99-I132 HydrophobicContact CD2-CD1 3.76Å; W99-I132 HydrophobicContact CD2-CG1 3.75Å; W99-I132 HydrophobicContact CD2-CG2 4.11Å; W99-I132 HydrophobicContact CE3-CD1 3.62Å; W99-I132 HydrophobicContact CE3-CG1 4.15Å; W99-I132 HydrophobicContact CG-CD1 4.22Å; W99-I132 HydrophobicContact CG-CG1 3.73Å; W99-I132 HydrophobicContact CG-CG2 4.41Å; W99-I132 HydrophobicContact CH2-CD1 4.45Å; W99-I132 HydrophobicContact CZ2-CG2 3.79Å; W99-I132 HydrophobicContact CZ3-CD1 4Å; W99-I252 WeakPolarHBondContact CH2-O 3.39Å; W99-M253 WeakPolarHBondContact CH2-O 3.49Å
100	P	98.1	Very high	98.4	Very high	105 Å²	105	55.4 Å²	55.4	68%	0.682	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.5	-175	27.2	-35.9	0	0	0	113.8	K98 C102	K98-P100 VanDerWaalsContact C-CD 3.45Å; K98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-C102 VanDerWaalsContact C-N 3.27Å; P100-C102 PolarHBondContact O-N 3.48Å
101	G	98	Very high	98.3	Very high	55 Å²	55	53 Å²	53	57%	0.567	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.6	174.2	0	0	0	0	0	114.3	W99 K103 N139	W99-G101 PolarHBondContact O-N 3.14Å; W99-G101 VanDerWaalsContact O-N 3.12Å; G101-K103 PolarHBondContact O-N 3.33Å; G101-N139 PolarHBondContact O-ND2 3.23Å; G101-N139 VanDerWaalsContact O-ND2 3.16Å
102	C	98.5	Very high	98.2	Very high	11 Å²	11	49 Å²	49	7%	0.074	26%	0.26	C	S	.	.			trans	-96.8	85.9	-179.6	-64.6	0	0	0	0	110.5	W99 P100 S104 I105 C131	W99-C102 HydrophobicContact CB-CB 4.29Å; W99-C102 PolarHBondContact O-N 3.27Å; P100-C102 VanDerWaalsContact C-N 3.27Å; P100-C102 PolarHBondContact O-N 3.48Å; C102-S104 PolarHBondContact O-N 2.89Å; C102-I105 HydrophobicContact CB-CD1 3.63Å; C102-I105 HydrophobicContact CB-CG1 4Å; C102-I105 WeakPolarHBondContact O-CG1 3.4Å; C102-I105 PolarHBondContact O-N 2.77Å; C102-C131 WeakPolarHBondContact CA-SG 3.26Å; C102-C131 HydrophobicContact CB-CB 3.7Å; C102-C131 WeakPolarHBondContact CB-SG 3.49Å; C102-C131 WeakPolarHBondContact SG-CB 3.2Å; C102-C131 CovalentContact SG-SG 2.04Å; C102-C131 PolarHBondContact SG-SG 2.89Å
103	K	97.7	Very high	98.1	Very high	159 Å²	159	45.8 Å²	45.8	69%	0.691	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.8	-27.3	-173.1	-62.1	-177	-180	-178.6	0	113.8	G101 I105 A106 T107	G101-K103 PolarHBondContact O-N 3.33Å; K103-I105 PolarHBondContact O-N 3.33Å; K103-A106 PolarHBondContact O-N 2.7Å; K103-T107 PolarHBondContact O-N 3.16Å; K103-T107 PolarHBondContact O-OG1 2.71Å
104	S	98.5	Very high	97.9	Very high	14 Å²	14	44.7 Å²	44.7	10%	0.098	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.2	-30.7	178.4	60.1	0	0	0	0	112.3	C102 A106 T107 D128	C102-S104 PolarHBondContact O-N 2.89Å; S104-A106 VanDerWaalsContact C-N 3.26Å; S104-A106 PolarHBondContact O-N 3.11Å; S104-T107 WeakPolarHBondContact O-CB 3.47Å; S104-T107 PolarHBondContact O-N 2.83Å; S104-D128 WeakPolarHBondContact CB-OD1 3.21Å; S104-D128 WeakPolarHBondContact OG-CA 3.43Å; S104-D128 PolarHBondContact OG-N 3.27Å; S104-D128 PolarHBondContact OG-OD1 2.64Å
105	I	98.7	Very high	97.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.1	-40.2	-177.1	-55.1	171.2	0	0	0	110.5	R96 W99 C102 K103 D128 I132 P257 R290	R96-I105 HydrophobicContact CB-CG2 4.45Å; R96-I105 HydrophobicContact CG-CB 4.32Å; R96-I105 HydrophobicContact CG-CG2 3.61Å; W99-I105 HydrophobicContact CB-CD1 3.7Å; W99-I105 HydrophobicContact CE3-CD1 4.32Å; C102-I105 HydrophobicContact CB-CD1 3.63Å; C102-I105 HydrophobicContact CB-CG1 4Å; C102-I105 WeakPolarHBondContact O-CG1 3.4Å; C102-I105 PolarHBondContact O-N 2.77Å; K103-I105 PolarHBondContact O-N 3.33Å; I105-D128 VanDerWaalsContact CA-OD1 3.28Å; I105-D128 WeakPolarHBondContact CA-OD1 3.5Å; I105-D128 HydrophobicContact CG1-CB 3.98Å; I105-D128 PolarHBondContact N-OD1 3.35Å; I105-I132 HydrophobicContact CD1-CD1 3.91Å; I105-I132 HydrophobicContact CD1-CG1 4.24Å; I105-P257 HydrophobicContact CG2-CG 4.17Å; I105-R290 PolarHBondContact O-NH1 3.37Å
106	A	98.5	Very high	97.8	Very high	54 Å²	54	43.6 Å²	43.6	45%	0.446	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-86.7	-6.2	-179.9	0	0	0	0	0	113.7	R96 K103 S104 Y318	R96-A106 HydrophobicContact CG-CB 4.19Å; K103-A106 PolarHBondContact O-N 2.7Å; S104-A106 VanDerWaalsContact C-N 3.26Å; S104-A106 PolarHBondContact O-N 3.11Å; A106-Y318 WeakPolarHBondContact CA-OH 3.31Å; A106-Y318 PolarHBondContact O-OH 3.16Å
107	T	98.4	Very high	97.8	Very high	57 Å²	57	39.8 Å²	39.8	35%	0.35	22%	0.217	S	C	.	.			trans	-80.8	124.6	-176.8	-58.9	0	0	0	0	110	K103 S104 R290	K103-T107 PolarHBondContact O-N 3.16Å; K103-T107 PolarHBondContact O-OG1 2.71Å; S104-T107 WeakPolarHBondContact O-CB 3.47Å; S104-T107 PolarHBondContact O-N 2.83Å; T107-R290 PolarHBondContact O-NH2 2.87Å; T107-R290 VanDerWaalsContact O-NH2 3.13Å
108	I	98.1	Very high	97.8	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.082	18%	0.181	C	C	.	.			trans	-99.9	129.7	171.4	-60.1	-59.6	0	0	0	109.4	A306 Y318	I108-A306 HydrophobicContact CD1-CB 3.67Å; I108-Y318 HydrophobicContact CD1-CD1 4.25Å; I108-Y318 HydrophobicContact CD1-CD2 4.14Å; I108-Y318 HydrophobicContact CD1-CE1 3.85Å; I108-Y318 HydrophobicContact CD1-CE2 3.71Å; I108-Y318 HydrophobicContact CD1-CG 4.39Å; I108-Y318 HydrophobicContact CG1-CD2 4.37Å; I108-Y318 HydrophobicContact CG1-CE2 3.77Å
109	R	98	Very high	97.8	Very high	21 Å²	21	26.6 Å²	26.6	8%	0.079	16%	0.159	C	C	.	.			trans	-104.7	174	179.5	-52.7	-167.1	-172.1	-172.8	11.9	111.4	F120 E124 S127 E141 L142 S308 W309 N310	R109-F120 HydrophobicContact CB-CD1 3.79Å; R109-F120 HydrophobicContact CB-CE1 3.74Å; R109-E124 WeakPolarHBondContact CB-OE1 3.33Å; R109-E124 HydrophobicContact CG-CG 4.18Å; R109-S127 PolarHBondContact NH2-OG 3.3Å; R109-S127 VanDerWaalsContact NH2-OG 3.15Å; R109-E141 VanDerWaalsContact CZ-CG 3.42Å; R109-E141 IonicContact CZ-OE1 3.95Å; R109-E141 IonicContact NE-OE1 2.83Å; R109-E141 PolarHBondContact NE-OE1 3.07Å; R109-E141 IonicContact NH1-OE1 3.5Å; R109-L142 PolarHBondContact NH1-O 2.96Å; R109-S308 CarbonylContact O-C 3.51Å; R109-S308 WeakPolarHBondContact O-CA 3.3Å; R109-W309 PolarHBondContact O-N 2.91Å; R109-N310 WeakPolarHBondContact O-CA 3.26Å; R109-N310 PolarHBondContact O-N 3.31Å
110	D	97.4	Very high	97.8	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.037	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-131.5	120.6	177	-162.1	-26.7	0	0	0	109.6	R52 S112 F120 K194 C195 S308 N310	R52-D110 IonicContact CZ-OD1 3.15Å; R52-D110 IonicContact NH1-OD1 3.3Å; R52-D110 IonicContact NH1-OD2 2.72Å; R52-D110 IonicContact NH2-OD1 3.95Å; R52-D110 PolarHBondContact NH2-OD1 2.86Å; D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 WeakPolarHBondContact OD1-CA 3.43Å; D110-S112 PolarHBondContact OD1-N 2.78Å; D110-F120 WeakPolarHBondContact O-CE1 3.33Å; D110-F120 WeakPolarHBondContact O-CZ 3.32Å; D110-K194 HydrophobicContact CB-CB 4.22Å; D110-K194 HydrophobicContact CB-CG 3.66Å; D110-K194 WeakPolarHBondContact OD2-CA 3.4Å; D110-C195 PolarHBondContact OD2-N 3.12Å; D110-S308 CarbonylContact C-O 3.6Å; D110-S308 VanDerWaalsContact CA-O 3.3Å; D110-S308 WeakPolarHBondContact CA-O 3.36Å; D110-N310 HydrophobicContact CB-CB 3.95Å; D110-N310 PolarHBondContact OD2-ND2 2.8Å
111	Q	97.1	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.			trans	-77.4	-7.7	174.9	71.6	-177.1	82.7	0	0	113.5	Q62 C114 C117 F120 Y190 H287 S308	Q62-Q111 VanDerWaalsContact O-CD 3.28Å; Q62-Q111 PolarHBondContact O-NE2 3.43Å; Q62-Q111 PolarHBondContact O-OE1 3.12Å; Q111-C114 PolarHBondContact NE2-O 3.43Å; Q111-C117 VanDerWaalsContact OE1-CB 3.27Å; Q111-F120 VanDerWaalsContact CA-CZ 3.44Å; Q111-F120 HydrophobicContact CB-CD1 4.37Å; Q111-F120 HydrophobicContact CB-CD2 3.8Å; Q111-F120 HydrophobicContact CB-CE1 4.25Å; Q111-F120 HydrophobicContact CB-CE2 3.66Å; Q111-F120 HydrophobicContact CB-CG 4.16Å; Q111-F120 HydrophobicContact CB-CZ 3.92Å; Q111-Y190 WeakPolarHBondContact O-CE1 3.22Å; Q111-Y190 PolarHBondContact O-OH 3.33Å; Q111-H287 PolarHBondContact OE1-CE1 2.87Å; Q111-S308 PolarHBondContact N-O 2.95Å; Q111-S308 PolarHBondContact OE1-OG 2.99Å
112	S	95.6	Very high	97.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	9%	0.094	C	C	.	.			trans	57.7	-152.3	-174.1	-159.7	0	0	0	0	111.3	D110 C114 P193 Y211	D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 WeakPolarHBondContact OD1-CA 3.43Å; D110-S112 PolarHBondContact OD1-N 2.78Å; S112-C114 PolarHBondContact O-N 3.34Å; S112-C114 VanDerWaalsContact O-N 3.13Å; S112-P193 WeakPolarHBondContact CB-O 3.24Å; S112-P193 PolarHBondContact OG-O 3.01Å; S112-Y211 WeakPolarHBondContact OG-CE2 3.48Å
113	R	95.2	Very high	97.9	Very high	13 Å²	13	16.7 Å²	16.7	5%	0.049	9%	0.09	C	C	.	.	S	Bend	trans	-85.7	49.8	176.3	-63.4	179.2	65.2	87.3	-6.7	113	D58 I61 C206 G207 K209 Y211	D58-R113 IonicContact OD1-CZ 3.74Å; D58-R113 VanDerWaalsContact OD1-CZ 3.29Å; D58-R113 IonicContact OD1-NH1 2.7Å; D58-R113 PolarHBondContact OD1-NH1 2.87Å; D58-R113 IonicContact OD1-NH2 2.64Å; D58-R113 PolarHBondContact OD1-NH2 3.36Å; I61-R113 HydrophobicContact CD1-CB 4.06Å; I61-R113 HydrophobicContact CD1-CG 4.42Å; I61-R113 VanDerWaalsContact CD1-CZ 3.44Å; I61-R113 VanDerWaalsContact CD1-NH2 3.27Å; R113-C206 WeakPolarHBondContact CD-O 3.34Å; R113-C206 HydrophobicContact CG-CB 4Å; R113-G207 VanDerWaalsContact CD-O 3.3Å; R113-G207 WeakPolarHBondContact CD-O 3.31Å; R113-G207 PolarHBondContact NE-O 3.15Å; R113-G207 PolarHBondContact NH1-O 3.48Å; R113-K209 WeakPolarHBondContact CB-O 3.16Å; R113-K209 VanDerWaalsContact CD-O 3.22Å; R113-K209 WeakPolarHBondContact CD-O 3.44Å; R113-K209 PolarHBondContact NE-O 3.25Å; R113-Y211 HydrophobicContact CB-CD2 3.88Å; R113-Y211 HydrophobicContact CB-CE2 4.12Å; R113-Y211 PolarHBondContact O-N 3.44Å
114	C	96.5	Very high	98	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.007	6%	0.058	C	C	.	.	S	Bend	trans	-133.7	132.1	176.5	167.5	0	0	0	0	108.2	I61 Q111 S112 S116 C158 F192	I61-C114 CarbonylContact O-C 3.53Å; Q111-C114 PolarHBondContact NE2-O 3.43Å; S112-C114 PolarHBondContact O-N 3.34Å; S112-C114 VanDerWaalsContact O-N 3.13Å; C114-S116 PolarHBondContact O-N 3.49Å; C114-S116 WeakPolarHBondContact SG-CB 3.27Å; C114-S116 PolarHBondContact SG-OG 2.86Å; C114-S116 VanDerWaalsContact SG-OG 3.38Å; C114-C158 HydrophobicContact CB-CB 3.94Å; C114-C158 WeakPolarHBondContact CB-SG 3.38Å; C114-C158 WeakPolarHBondContact SG-CA 3.14Å; C114-C158 WeakPolarHBondContact SG-CB 3.13Å; C114-C158 CovalentContact SG-SG 2.04Å; C114-C158 PolarHBondContact SG-SG 3.36Å; C114-F192 HydrophobicContact CB-CD2 3.77Å; C114-F192 HydrophobicContact CB-CE2 3.71Å
115	G	97.4	Very high	98	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.01	5%	0.053	C	C	.	.			trans	-76.8	48.5	-179.1	0	0	0	0	0	113.1	I61 M63 G64 C158 G160	I61-G115 WeakPolarHBondContact O-CA 3.36Å; I61-G115 PolarHBondContact O-N 3.11Å; M63-G115 WeakPolarHBondContact O-CA 3.38Å; G64-G115 WeakPolarHBondContact CA-O 3.05Å; G115-C158 WeakPolarHBondContact CA-O 3.02Å; G115-C158 PolarHBondContact N-O 3.42Å; G115-G160 WeakPolarHBondContact O-CA 3.46Å; G115-G160 PolarHBondContact O-N 3.46Å
116	S	98.2	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.			trans	-101.6	19.7	-174.5	57.3	0	0	0	0	113.4	C114 W118 S119 F120 Y190	C114-S116 PolarHBondContact O-N 3.49Å; C114-S116 WeakPolarHBondContact SG-CB 3.27Å; C114-S116 PolarHBondContact SG-OG 2.86Å; C114-S116 VanDerWaalsContact SG-OG 3.38Å; S116-W118 PolarHBondContact O-N 3.2Å; S116-W118 VanDerWaalsContact O-N 3.14Å; S116-S119 WeakPolarHBondContact O-CA 3.29Å; S116-S119 WeakPolarHBondContact O-CB 3.07Å; S116-S119 PolarHBondContact O-N 2.84Å; S116-F120 WeakPolarHBondContact O-CD2 3.36Å; S116-F120 PolarHBondContact O-N 3.1Å; S116-F120 VanDerWaalsContact O-N 3.11Å; S116-F120 WeakPolarHBondContact OG-CE2 3.01Å; S116-Y190 PolarHBondContact OG-OH 2.96Å
117	C	98.5	Very high	98	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-52.1	-38.1	-179.4	63.3	0	0	0	0	112.6	G64 A65 Q111 S119 F120 G121 H287 A288	G64-C117 PolarHBondContact N-SG 2.89Å; A65-C117 PolarHBondContact N-SG 3.27Å; A65-C117 VanDerWaalsContact N-SG 3.42Å; Q111-C117 VanDerWaalsContact OE1-CB 3.27Å; C117-S119 PolarHBondContact O-N 3.24Å; C117-F120 PolarHBondContact O-N 2.79Å; C117-G121 PolarHBondContact O-N 3.04Å; C117-H287 WeakPolarHBondContact CB-CE1 3.06Å; C117-H287 VanDerWaalsContact CB-ND1 3.25Å; C117-H287 WeakPolarHBondContact CB-ND1 3.39Å; C117-H287 PolarHBondContact SG-ND1 2.8Å; C117-A288 HydrophobicContact CB-CB 4.26Å; C117-A288 PolarHBondContact SG-N 3.26Å; C117-A288 VanDerWaalsContact SG-N 3.36Å
118	W	98.6	Very high	98.1	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.1	-26.8	176.1	69.7	-90.8	0	0	0	113.2	G64 S116 A122 L147 C154 G157 L163 A166 A288	G64-W118 VanDerWaalsContact O-CD1 3.26Å; S116-W118 PolarHBondContact O-N 3.2Å; S116-W118 VanDerWaalsContact O-N 3.14Å; W118-A122 WeakPolarHBondContact O-CB 3.45Å; W118-L147 HydrophobicContact CH2-CG 4.31Å; W118-L147 HydrophobicContact CZ3-CD1 4.22Å; W118-L147 HydrophobicContact CZ3-CD2 4.29Å; W118-L147 HydrophobicContact CZ3-CG 3.93Å; W118-C154 HydrophobicContact CE3-CB 4.06Å; W118-C154 HydrophobicContact CH2-CB 3.36Å; W118-C154 HydrophobicContact CZ2-CB 4.25Å; W118-C154 HydrophobicContact CZ3-CB 3.25Å; W118-G157 PolarHBondContact NE1-O 2.94Å; W118-L163 HydrophobicContact CB-CD1 4.36Å; W118-A166 HydrophobicContact CE3-CB 4.02Å; W118-A166 HydrophobicContact CZ3-CB 4Å; W118-A288 HydrophobicContact CB-CB 4.45Å
119	S	98.7	Very high	98.1	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-87.1	-31.3	174	177.6	0	0	0	0	111.1	S116 C117 V123 A144 L147	S116-S119 WeakPolarHBondContact O-CA 3.29Å; S116-S119 WeakPolarHBondContact O-CB 3.07Å; S116-S119 PolarHBondContact O-N 2.84Å; C117-S119 PolarHBondContact O-N 3.24Å; S119-V123 WeakPolarHBondContact O-CG1 3.15Å; S119-V123 WeakPolarHBondContact O-CG2 3.41Å; S119-V123 PolarHBondContact O-N 2.85Å; S119-V123 VanDerWaalsContact O-N 3.1Å; S119-A144 PolarHBondContact OG-O 3.49Å; S119-L147 WeakPolarHBondContact OG-CD2 3.44Å
120	F	98.8	Very high	98.1	Very high	4 Å²	4	1.5 Å²	1.5	2%	0.018	1%	0.007	C	C	.	.	H	α-helix	trans	-72	-52.4	-179.7	-87.6	-107.5	0	0	0	111.9	R109 D110 Q111 S116 C117 A122 V123 E124 A144 Y190	R109-F120 HydrophobicContact CB-CD1 3.79Å; R109-F120 HydrophobicContact CB-CE1 3.74Å; D110-F120 WeakPolarHBondContact O-CE1 3.33Å; D110-F120 WeakPolarHBondContact O-CZ 3.32Å; Q111-F120 VanDerWaalsContact CA-CZ 3.44Å; Q111-F120 HydrophobicContact CB-CD1 4.37Å; Q111-F120 HydrophobicContact CB-CD2 3.8Å; Q111-F120 HydrophobicContact CB-CE1 4.25Å; Q111-F120 HydrophobicContact CB-CE2 3.66Å; Q111-F120 HydrophobicContact CB-CG 4.16Å; Q111-F120 HydrophobicContact CB-CZ 3.92Å; S116-F120 WeakPolarHBondContact O-CD2 3.36Å; S116-F120 PolarHBondContact O-N 3.1Å; S116-F120 VanDerWaalsContact O-N 3.11Å; S116-F120 WeakPolarHBondContact OG-CE2 3.01Å; C117-F120 PolarHBondContact O-N 2.79Å; F120-A122 PolarHBondContact O-N 2.82Å; F120-V123 PolarHBondContact O-N 2.66Å; F120-E124 WeakPolarHBondContact O-CB 3.32Å; F120-E124 WeakPolarHBondContact O-CG 3.39Å; F120-E124 PolarHBondContact O-N 3.22Å; F120-A144 HydrophobicContact CD2-CB 3.84Å; F120-A144 HydrophobicContact CE1-CB 4.44Å; F120-A144 HydrophobicContact CE2-CB 3.58Å; F120-A144 HydrophobicContact CG-CB 4.37Å; F120-A144 HydrophobicContact CZ-CB 3.9Å; F120-Y190 HydrophobicContact CE2-CD2 4.21Å; F120-Y190 HydrophobicContact CE2-CE1 4.17Å; F120-Y190 AromaticContact CE2-CE2 3.55Å; F120-Y190 HydrophobicContact CE2-CE2 3.55Å; F120-Y190 AromaticContact CE2-CZ 3.51Å; F120-Y190 HydrophobicContact CZ-CD1 4.05Å; F120-Y190 AromaticContact CZ-CD2 3.98Å; F120-Y190 HydrophobicContact CZ-CD2 3.98Å; F120-Y190 AromaticContact CZ-CE1 3.72Å; F120-Y190 HydrophobicContact CZ-CE1 3.72Å; F120-Y190 AromaticContact CZ-CE2 3.69Å; F120-Y190 HydrophobicContact CZ-CE2 3.69Å; F120-Y190 HydrophobicContact CZ-CG 4.16Å; F120-Y190 AromaticContact CZ-CZ 3.54Å
121	G	98.7	Very high	98.2	Very high	1 Å²	1	1.2 Å²	1.2	1%	0.01	1%	0.006	C	C	.	.	H	α-helix	trans	-53.1	-45.2	177	0	0	0	0	0	111.7	C117 A125 E259	C117-G121 PolarHBondContact O-N 3.04Å; G121-A125 WeakPolarHBondContact O-CB 3.27Å; G121-A125 PolarHBondContact O-N 3.35Å; G121-A125 VanDerWaalsContact O-N 3.11Å; G121-E259 WeakPolarHBondContact CA-OE1 3.3Å
122	A	98.9	Very high	98.3	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-57	-63.8	174.4	0	0	0	0	0	112.6	W118 F120 E124 A125 M126 L147 A166 E259	W118-A122 WeakPolarHBondContact O-CB 3.45Å; F120-A122 PolarHBondContact O-N 2.82Å; A122-E124 VanDerWaalsContact C-N 3.27Å; A122-E124 PolarHBondContact O-N 2.93Å; A122-A125 PolarHBondContact O-N 3.26Å; A122-M126 HydrophobicContact CB-CE 3.84Å; A122-M126 HydrophobicContact CB-SD 4.37Å; A122-M126 WeakPolarHBondContact O-CB 3.44Å; A122-M126 WeakPolarHBondContact O-CG 3.45Å; A122-M126 PolarHBondContact O-N 3.45Å; A122-L147 HydrophobicContact CB-CD2 3.85Å; A122-A166 HydrophobicContact CB-CB 4.03Å; A122-E259 WeakPolarHBondContact CB-OE2 3.43Å; A122-E259 PolarHBondContact N-OE1 2.8Å
123	V	98.9	Very high	98.4	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-67.1	-28.4	-173.3	-61.3	0	0	0	0	113.2	S119 F120 S127 L142 A144 L147 I175	S119-V123 WeakPolarHBondContact O-CG1 3.15Å; S119-V123 WeakPolarHBondContact O-CG2 3.41Å; S119-V123 PolarHBondContact O-N 2.85Å; S119-V123 VanDerWaalsContact O-N 3.1Å; F120-V123 PolarHBondContact O-N 2.66Å; V123-S127 VanDerWaalsContact O-CB 3.27Å; V123-S127 WeakPolarHBondContact O-CB 3.39Å; V123-S127 PolarHBondContact O-N 2.76Å; V123-S127 PolarHBondContact O-OG 2.79Å; V123-L142 HydrophobicContact CB-CB 3.97Å; V123-L142 HydrophobicContact CG1-CB 4.33Å; V123-A144 HydrophobicContact CG2-CB 3.89Å; V123-L147 HydrophobicContact CG1-CB 4.21Å; V123-L147 HydrophobicContact CG1-CD2 3.8Å; V123-I175 HydrophobicContact CG1-CD1 4.01Å; V123-I175 HydrophobicContact CG1-CG2 4.31Å
124	E	98.9	Very high	98.6	Very high	4 Å²	4	3.5 Å²	3.5	2%	0.019	2%	0.02	C	C	.	.	H	α-helix	trans	-66.3	-50.3	173.9	-68.9	174.8	-170.6	0	0	110.9	R109 F120 A122 M126 S127 D128 R290	R109-E124 WeakPolarHBondContact CB-OE1 3.33Å; R109-E124 HydrophobicContact CG-CG 4.18Å; F120-E124 WeakPolarHBondContact O-CB 3.32Å; F120-E124 WeakPolarHBondContact O-CG 3.39Å; F120-E124 PolarHBondContact O-N 3.22Å; A122-E124 VanDerWaalsContact C-N 3.27Å; A122-E124 PolarHBondContact O-N 2.93Å; E124-M126 VanDerWaalsContact C-N 3.34Å; E124-M126 PolarHBondContact O-N 3.21Å; E124-S127 WeakPolarHBondContact O-CB 3.49Å; E124-S127 PolarHBondContact O-N 2.61Å; E124-D128 VanDerWaalsContact O-CG 3.23Å; E124-D128 PolarHBondContact O-N 3.32Å; E124-R290 IonicContact OE2-CZ 2.72Å; E124-R290 IonicContact OE2-NE 2.61Å; E124-R290 PolarHBondContact OE2-NE 3.25Å; E124-R290 IonicContact OE2-NH2 3.35Å; E124-R290 PolarHBondContact OE2-NH2 2.86Å
125	A	98.9	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.7	-36.4	179	0	0	0	0	0	111.8	G121 A122 D128 R129 W167 R290	G121-A125 WeakPolarHBondContact O-CB 3.27Å; G121-A125 PolarHBondContact O-N 3.35Å; G121-A125 VanDerWaalsContact O-N 3.11Å; A122-A125 PolarHBondContact O-N 3.26Å; A125-D128 PolarHBondContact O-N 3.11Å; A125-R129 VanDerWaalsContact O-CB 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.39Å; A125-R129 WeakPolarHBondContact O-CG 3.43Å; A125-R129 PolarHBondContact O-N 2.86Å; A125-W167 HydrophobicContact CB-CH2 3.74Å; A125-W167 HydrophobicContact CB-CZ2 3.75Å; A125-R290 HydrophobicContact CB-CG 4.24Å
126	M	98.9	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-37	174	-66.9	163.6	-175	0	0	112.4	A122 E124 S130 L142 W167 W170 I175	A122-M126 HydrophobicContact CB-CE 3.84Å; A122-M126 HydrophobicContact CB-SD 4.37Å; A122-M126 WeakPolarHBondContact O-CB 3.44Å; A122-M126 WeakPolarHBondContact O-CG 3.45Å; A122-M126 PolarHBondContact O-N 3.45Å; E124-M126 VanDerWaalsContact C-N 3.34Å; E124-M126 PolarHBondContact O-N 3.21Å; M126-S130 WeakPolarHBondContact O-CB 3.29Å; M126-S130 PolarHBondContact O-N 2.77Å; M126-S130 PolarHBondContact O-OG 3.36Å; M126-L142 HydrophobicContact CB-CD1 3.57Å; M126-W167 HydrophobicContact CE-CB 4.13Å; M126-W167 HydrophobicContact CE-CD2 3.48Å; M126-W167 VanDerWaalsContact CE-CD2 3.48Å; M126-W167 HydrophobicContact CE-CE3 3.76Å; M126-W167 HydrophobicContact CE-CG 3.63Å; M126-W167 HydrophobicContact CE-CZ3 4.38Å; M126-W167 HydrophobicContact CG-CE3 4.07Å; M126-W167 HydrophobicContact CG-CH2 4.02Å; M126-W167 HydrophobicContact CG-CZ2 4.44Å; M126-W167 HydrophobicContact CG-CZ3 3.79Å; M126-W170 HydrophobicContact CB-CD2 4.39Å; M126-W170 HydrophobicContact CB-CZ2 4.31Å; M126-W170 HydrophobicContact CE-CB 3.57Å; M126-W170 HydrophobicContact CE-CD2 4.17Å; M126-W170 HydrophobicContact CE-CE3 4.18Å; M126-W170 HydrophobicContact CE-CG 3.95Å; M126-W170 HydrophobicContact CG-CD2 3.78Å; M126-W170 HydrophobicContact CG-CE3 3.91Å; M126-W170 HydrophobicContact CG-CG 4.18Å; M126-W170 HydrophobicContact CG-CZ2 4.41Å; M126-W170 HydrophobicContact CG-CZ3 4.28Å; M126-W170 HydrophobicContact SD-CB 3.72Å; M126-W170 HydrophobicContact SD-CD2 3.83Å; M126-W170 HydrophobicContact SD-CE3 4.3Å; M126-W170 HydrophobicContact SD-CG 3.56Å; M126-W170 VanDerWaalsContact SD-CG 3.56Å; M126-I175 HydrophobicContact SD-CD1 3.68Å
127	S	98.9	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-47.3	173.8	-61	0	0	0	0	110.4	R109 V123 E124 R129 S130 C131 V140 L142	R109-S127 PolarHBondContact NH2-OG 3.3Å; R109-S127 VanDerWaalsContact NH2-OG 3.15Å; V123-S127 VanDerWaalsContact O-CB 3.27Å; V123-S127 WeakPolarHBondContact O-CB 3.39Å; V123-S127 PolarHBondContact O-N 2.76Å; V123-S127 PolarHBondContact O-OG 2.79Å; E124-S127 WeakPolarHBondContact O-CB 3.49Å; E124-S127 PolarHBondContact O-N 2.61Å; S127-R129 PolarHBondContact O-N 2.88Å; S127-S130 WeakPolarHBondContact O-CB 3.41Å; S127-S130 PolarHBondContact O-N 3.36Å; S127-C131 PolarHBondContact O-N 2.92Å; S127-V140 VanDerWaalsContact CB-O 3.29Å; S127-V140 WeakPolarHBondContact CB-O 3.32Å; S127-L142 PolarHBondContact OG-N 3.39Å
128	D	98.9	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-48.8	177.2	-65.1	-14.1	0	0	0	111.5	S104 I105 E124 A125 S130 C131 I132 P257 R290	S104-D128 WeakPolarHBondContact CB-OD1 3.21Å; S104-D128 WeakPolarHBondContact OG-CA 3.43Å; S104-D128 PolarHBondContact OG-N 3.27Å; S104-D128 PolarHBondContact OG-OD1 2.64Å; I105-D128 VanDerWaalsContact CA-OD1 3.28Å; I105-D128 WeakPolarHBondContact CA-OD1 3.5Å; I105-D128 HydrophobicContact CG1-CB 3.98Å; I105-D128 PolarHBondContact N-OD1 3.35Å; E124-D128 VanDerWaalsContact O-CG 3.23Å; E124-D128 PolarHBondContact O-N 3.32Å; A125-D128 PolarHBondContact O-N 3.11Å; D128-S130 PolarHBondContact O-N 2.9Å; D128-C131 PolarHBondContact O-N 3.15Å; D128-I132 HydrophobicContact CB-CD1 4.41Å; D128-I132 WeakPolarHBondContact O-CB 3.49Å; D128-I132 VanDerWaalsContact O-CG1 3.26Å; D128-I132 WeakPolarHBondContact O-CG1 3.34Å; D128-I132 PolarHBondContact O-N 3.23Å; D128-P257 HydrophobicContact CB-CB 4.5Å; D128-P257 HydrophobicContact CB-CG 4.14Å; D128-P257 WeakPolarHBondContact OD2-CG 3.43Å; D128-R290 IonicContact OD1-NH1 3.83Å; D128-R290 WeakPolarHBondContact OD2-CD 3.01Å; D128-R290 IonicContact OD2-CZ 3.65Å; D128-R290 IonicContact OD2-NE 3.49Å; D128-R290 IonicContact OD2-NH1 2.72Å; D128-R290 PolarHBondContact OD2-NH1 3.3Å
129	R	98.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-35.7	-178.6	-74.5	177.6	170.7	-104.1	-12.2	112.8	A125 S127 C131 I132 Q133 Y239 E251 G256 P257 G337	A125-R129 VanDerWaalsContact O-CB 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.39Å; A125-R129 WeakPolarHBondContact O-CG 3.43Å; A125-R129 PolarHBondContact O-N 2.86Å; S127-R129 PolarHBondContact O-N 2.88Å; R129-C131 VanDerWaalsContact C-N 3.27Å; R129-C131 PolarHBondContact O-N 3.22Å; R129-I132 PolarHBondContact O-N 3.05Å; R129-Q133 WeakPolarHBondContact O-CB 3.38Å; R129-Q133 VanDerWaalsContact O-CG 3.3Å; R129-Q133 WeakPolarHBondContact O-CG 3.27Å; R129-Q133 PolarHBondContact O-N 3.12Å; R129-Y239 PolarHBondContact NH1-OH 3.13Å; R129-E251 IonicContact CZ-OE1 3.08Å; R129-E251 IonicContact NH1-OE1 3.49Å; R129-E251 PolarHBondContact NH1-OE1 3.44Å; R129-E251 IonicContact NH2-OE1 3.97Å; R129-E251 PolarHBondContact NH2-OE1 2.04Å; R129-G256 PolarHBondContact NH2-O 3.1Å; R129-P257 PolarHBondContact NE-O 3.27Å; R129-P257 PolarHBondContact NH2-O 3.16Å; R129-G337 WeakPolarHBondContact CD-O 3.36Å; R129-G337 PolarHBondContact NH1-O 2.84Å
130	S	98.8	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.6	-44.3	171.9	-61.3	0	0	0	0	110.7	M126 S127 D128 S134 Q138	M126-S130 WeakPolarHBondContact O-CB 3.29Å; M126-S130 PolarHBondContact O-N 2.77Å; M126-S130 PolarHBondContact O-OG 3.36Å; S127-S130 WeakPolarHBondContact O-CB 3.41Å; S127-S130 PolarHBondContact O-N 3.36Å; D128-S130 PolarHBondContact O-N 2.9Å; S130-S134 WeakPolarHBondContact O-CB 3.43Å; S130-S134 PolarHBondContact O-N 3.4Å; S130-S134 PolarHBondContact O-OG 3.49Å; S130-Q138 CarbonylContact C-O 3.39Å
131	C	98.8	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-50.9	176	-179	0	0	0	0	113.7	C102 S127 D128 R129 Q133 S134 G135 G136 Q138	C102-C131 WeakPolarHBondContact CA-SG 3.26Å; C102-C131 HydrophobicContact CB-CB 3.7Å; C102-C131 WeakPolarHBondContact CB-SG 3.49Å; C102-C131 WeakPolarHBondContact SG-CB 3.2Å; C102-C131 CovalentContact SG-SG 2.04Å; C102-C131 PolarHBondContact SG-SG 2.89Å; S127-C131 PolarHBondContact O-N 2.92Å; D128-C131 PolarHBondContact O-N 3.15Å; R129-C131 VanDerWaalsContact C-N 3.27Å; R129-C131 PolarHBondContact O-N 3.22Å; C131-Q133 PolarHBondContact O-N 3.46Å; C131-S134 PolarHBondContact O-OG 3.24Å; C131-G135 PolarHBondContact O-N 3.48Å; C131-G136 PolarHBondContact O-N 2.95Å; C131-Q138 WeakPolarHBondContact CA-O 3.28Å; C131-Q138 VanDerWaalsContact CB-O 3.28Å; C131-Q138 WeakPolarHBondContact CB-O 2.97Å; C131-Q138 PolarHBondContact N-O 2.04Å
132	I	98.8	Very high	98.3	Very high	20 Å²	20	28.6 Å²	28.6	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-51.7	-176.1	-69.7	166.6	0	0	0	110.9	W99 I105 D128 R129 S134 G135	W99-I132 HydrophobicContact CB-CG1 4.07Å; W99-I132 HydrophobicContact CD2-CD1 3.76Å; W99-I132 HydrophobicContact CD2-CG1 3.75Å; W99-I132 HydrophobicContact CD2-CG2 4.11Å; W99-I132 HydrophobicContact CE3-CD1 3.62Å; W99-I132 HydrophobicContact CE3-CG1 4.15Å; W99-I132 HydrophobicContact CG-CD1 4.22Å; W99-I132 HydrophobicContact CG-CG1 3.73Å; W99-I132 HydrophobicContact CG-CG2 4.41Å; W99-I132 HydrophobicContact CH2-CD1 4.45Å; W99-I132 HydrophobicContact CZ2-CG2 3.79Å; W99-I132 HydrophobicContact CZ3-CD1 4Å; I105-I132 HydrophobicContact CD1-CD1 3.91Å; I105-I132 HydrophobicContact CD1-CG1 4.24Å; D128-I132 HydrophobicContact CB-CD1 4.41Å; D128-I132 WeakPolarHBondContact O-CB 3.49Å; D128-I132 VanDerWaalsContact O-CG1 3.26Å; D128-I132 WeakPolarHBondContact O-CG1 3.34Å; D128-I132 PolarHBondContact O-N 3.23Å; R129-I132 PolarHBondContact O-N 3.05Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 3.18Å; I132-G135 PolarHBondContact O-N 2.8Å
133	Q	98.6	Very high	98.3	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.112	17%	0.168	C	C	.	.	H	α-helix	trans	-81.6	-15.7	-168.8	-58.9	174.8	14.6	0	0	112.6	R129 C131 G135 Y255 G337 I339 N340	R129-Q133 WeakPolarHBondContact O-CB 3.38Å; R129-Q133 VanDerWaalsContact O-CG 3.3Å; R129-Q133 WeakPolarHBondContact O-CG 3.27Å; R129-Q133 PolarHBondContact O-N 3.12Å; C131-Q133 PolarHBondContact O-N 3.46Å; Q133-G135 VanDerWaalsContact C-N 3.35Å; Q133-Y255 PolarHBondContact NE2-O 2.87Å; Q133-Y255 VanDerWaalsContact NE2-O 3.15Å; Q133-G337 PolarHBondContact NE2-O 3.01Å; Q133-I339 HydrophobicContact CB-CD1 3.73Å; Q133-I339 HydrophobicContact CB-CG1 3.68Å; Q133-N340 PolarHBondContact O-ND2 2.92Å
134	S	98.5	Very high	98.3	Very high	19 Å²	19	28.9 Å²	28.9	13%	0.133	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.8	171.6	71.2	0	0	0	0	113	S130 C131 I132 G136 K137 Q138	S130-S134 WeakPolarHBondContact O-CB 3.43Å; S130-S134 PolarHBondContact O-N 3.4Å; S130-S134 PolarHBondContact O-OG 3.49Å; C131-S134 PolarHBondContact O-OG 3.24Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 3.18Å; S134-G136 VanDerWaalsContact C-N 3.32Å; S134-K137 VanDerWaalsContact O-CG 3.32Å; S134-K137 WeakPolarHBondContact O-CG 3.4Å; S134-K137 PolarHBondContact O-N 3.48Å; S134-K137 PolarHBondContact OG-N 3.24Å; S134-Q138 PolarHBondContact OG-N 2.86Å
135	G	97.9	Very high	98.3	Very high	71 Å²	71	29.3 Å²	29.3	73%	0.732	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	35.2	-173.8	0	0	0	0	0	112.6	C131 I132 Q133	C131-G135 PolarHBondContact O-N 3.48Å; I132-G135 PolarHBondContact O-N 2.8Å; Q133-G135 VanDerWaalsContact C-N 3.35Å
136	G	97.3	Very high	98.3	Very high	40 Å²	40	29.3 Å²	29.3	41%	0.412	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	1.3	-179.4	0	0	0	0	0	115.4	C131 S134 Q138	C131-G136 PolarHBondContact O-N 2.95Å; S134-G136 VanDerWaalsContact C-N 3.32Å; G136-Q138 VanDerWaalsContact C-N 3.34Å
137	K	97.5	Very high	98.3	Very high	192 Å²	192	29.3 Å²	29.3	84%	0.835	17%	0.172	S	C	*	.	S	Bend	trans	-68.3	-31.7	178.6	-67	177.1	-177.9	179.1	0	113.1	S134	S134-K137 VanDerWaalsContact O-CG 3.32Å; S134-K137 WeakPolarHBondContact O-CG 3.4Å; S134-K137 PolarHBondContact O-N 3.48Å; S134-K137 PolarHBondContact OG-N 3.24Å
138	Q	96.7	Very high	98.2	Very high	68 Å²	68	29.5 Å²	29.5	32%	0.318	17%	0.174	S	C	.	.			trans	-110	109.7	173.8	-61.8	-178.6	32.7	0	0	109.1	S130 C131 S134 G136	S130-Q138 CarbonylContact C-O 3.39Å; C131-Q138 WeakPolarHBondContact CA-O 3.28Å; C131-Q138 VanDerWaalsContact CB-O 3.28Å; C131-Q138 WeakPolarHBondContact CB-O 2.97Å; C131-Q138 PolarHBondContact N-O 2.04Å; S134-Q138 PolarHBondContact OG-N 2.86Å; G136-Q138 VanDerWaalsContact C-N 3.34Å
139	N	95.9	Very high	98.2	Very high	86 Å²	86	30.4 Å²	30.4	46%	0.46	18%	0.179	S	C	.	.			trans	-120.4	79	176.8	-152.3	-28.3	0	0	0	108.3	G101	G101-N139 PolarHBondContact O-ND2 3.23Å; G101-N139 VanDerWaalsContact O-ND2 3.16Å
140	V	97.8	Very high	98.2	Very high	26 Å²	26	31.1 Å²	31.1	16%	0.158	18%	0.184	C	C	.	.			trans	-119.8	149.7	-167.6	-63.4	0	0	0	0	111.3	S127 L142 T177	S127-V140 VanDerWaalsContact CB-O 3.29Å; S127-V140 WeakPolarHBondContact CB-O 3.32Å; V140-L142 HydrophobicContact CG2-CD2 3.88Å; V140-L142 HydrophobicContact CG2-CG 4.29Å; V140-T177 HydrophobicContact CB-CG2 4.18Å; V140-T177 HydrophobicContact CG1-CG2 4.24Å
141	E	98.5	Very high	98.2	Very high	51 Å²	51	31.3 Å²	31.3	24%	0.238	19%	0.185	C	C	.	.			trans	-105.4	110.3	168.5	-163.9	-178.4	175.6	0	0	107.4	R109 T177 A178 S179	R109-E141 VanDerWaalsContact CZ-CG 3.42Å; R109-E141 IonicContact CZ-OE1 3.95Å; R109-E141 IonicContact NE-OE1 2.83Å; R109-E141 PolarHBondContact NE-OE1 3.07Å; R109-E141 IonicContact NH1-OE1 3.5Å; E141-T177 CarbonylContact O-C 3.53Å; E141-T177 WeakPolarHBondContact O-CA 3.46Å; E141-A178 WeakPolarHBondContact CB-O 3.34Å; E141-A178 VanDerWaalsContact CG-O 3.23Å; E141-A178 WeakPolarHBondContact CG-O 3.02Å; E141-A178 PolarHBondContact O-N 3.21Å; E141-S179 WeakPolarHBondContact OE2-CA 3.25Å
142	L	98.8	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-80.7	146	-177.8	-62.3	-176.9	0	0	0	112.1	R109 V123 M126 S127 V140 A144 I175 H233	R109-L142 PolarHBondContact NH1-O 2.96Å; V123-L142 HydrophobicContact CB-CB 3.97Å; V123-L142 HydrophobicContact CG1-CB 4.33Å; M126-L142 HydrophobicContact CB-CD1 3.57Å; S127-L142 PolarHBondContact OG-N 3.39Å; V140-L142 HydrophobicContact CG2-CD2 3.88Å; V140-L142 HydrophobicContact CG2-CG 4.29Å; L142-A144 PolarHBondContact O-N 3.48Å; L142-I175 HydrophobicContact CB-CG2 4.09Å; L142-H233 HydrophobicContact CD2-CB 3.73Å
143	S	98.8	Very high	97.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	25%	0.247	C	C	.	.			trans	-77.9	111.1	-172.4	-176	0	0	0	0	113.4	V145 D146 L147 I175 V176 A178 E188	S143-V145 VanDerWaalsContact C-N 3.25Å; S143-V145 PolarHBondContact O-N 3.39Å; S143-V145 VanDerWaalsContact OG-CG1 3.29Å; S143-V145 WeakPolarHBondContact OG-CG1 3.27Å; S143-V145 PolarHBondContact OG-N 2.87Å; S143-D146 PolarHBondContact O-N 2.93Å; S143-D146 PolarHBondContact OG-N 3.48Å; S143-D146 VanDerWaalsContact OG-N 3.11Å; S143-L147 PolarHBondContact O-N 3.38Å; S143-I175 VanDerWaalsContact O-CG2 3.32Å; S143-I175 WeakPolarHBondContact O-CG2 3.41Å; S143-V176 VanDerWaalsContact CB-O 3.27Å; S143-V176 WeakPolarHBondContact CB-O 3.23Å; S143-V176 PolarHBondContact N-O 3.21Å; S143-A178 WeakPolarHBondContact OG-CB 3.36Å; S143-E188 PolarHBondContact OG-O 2.98Å
144	A	98.6	Very high	97.9	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-39	168.7	0	0	0	0	0	110.8	S119 F120 V123 L142 L147 L148 Y190	S119-A144 PolarHBondContact OG-O 3.49Å; F120-A144 HydrophobicContact CD2-CB 3.84Å; F120-A144 HydrophobicContact CE1-CB 4.44Å; F120-A144 HydrophobicContact CE2-CB 3.58Å; F120-A144 HydrophobicContact CG-CB 4.37Å; F120-A144 HydrophobicContact CZ-CB 3.9Å; V123-A144 HydrophobicContact CG2-CB 3.89Å; L142-A144 PolarHBondContact O-N 3.48Å; A144-L147 PolarHBondContact O-N 3.06Å; A144-L148 WeakPolarHBondContact O-CB 3Å; A144-L148 PolarHBondContact O-N 3.28Å; A144-Y190 HydrophobicContact CB-CD2 4.19Å; A144-Y190 HydrophobicContact CB-CE2 4.35Å
145	V	98.5	Very high	97.7	Very high	12 Å²	12	42.2 Å²	42.2	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-34.1	-177.1	67.6	0	0	0	0	113.3	S143 L148 T149 E188 Y190 P191 P214	S143-V145 VanDerWaalsContact C-N 3.25Å; S143-V145 PolarHBondContact O-N 3.39Å; S143-V145 VanDerWaalsContact OG-CG1 3.29Å; S143-V145 WeakPolarHBondContact OG-CG1 3.27Å; S143-V145 PolarHBondContact OG-N 2.87Å; V145-L148 HydrophobicContact CB-CD2 4.41Å; V145-L148 HydrophobicContact CG2-CD2 4.14Å; V145-T149 HydrophobicContact CG2-CG2 3.66Å; V145-T149 VanDerWaalsContact O-CB 3.31Å; V145-T149 WeakPolarHBondContact O-CB 3.31Å; V145-T149 VanDerWaalsContact O-CG2 3.24Å; V145-T149 WeakPolarHBondContact O-CG2 3.26Å; V145-T149 PolarHBondContact O-N 2.66Å; V145-T149 PolarHBondContact O-OG1 3.33Å; V145-E188 HydrophobicContact CG1-CB 4.07Å; V145-E188 WeakPolarHBondContact CG1-O 3.37Å; V145-Y190 HydrophobicContact CB-CD2 4.05Å; V145-P191 HydrophobicContact CG2-CG 4Å; V145-P214 HydrophobicContact CG2-CG 4.28Å
146	D	98.7	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-47.5	174.3	-180	40.2	0	0	0	110.7	S143 C150 I175 V176 Y228 K232	S143-D146 PolarHBondContact O-N 2.93Å; S143-D146 PolarHBondContact OG-N 3.48Å; S143-D146 VanDerWaalsContact OG-N 3.11Å; D146-C150 WeakPolarHBondContact O-CB 3.32Å; D146-C150 PolarHBondContact O-N 2.87Å; D146-I175 HydrophobicContact CB-CG2 4.31Å; D146-I175 VanDerWaalsContact OD2-CA 3.3Å; D146-I175 WeakPolarHBondContact OD2-CA 3.31Å; D146-V176 HydrophobicContact CB-CG2 3.78Å; D146-V176 PolarHBondContact OD2-N 3.33Å; D146-Y228 PolarHBondContact OD1-OH 3.13Å; D146-K232 VanDerWaalsContact CG-NZ 3.33Å; D146-K232 IonicContact OD1-NZ 2.72Å; D146-K232 PolarHBondContact OD1-NZ 3.26Å; D146-K232 VanDerWaalsContact OD1-NZ 3.15Å; D146-K232 IonicContact OD2-NZ 3.18Å; D146-K232 PolarHBondContact OD2-NZ 2.69Å
147	L	98.7	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-51.8	175.7	175.4	61.1	0	0	0	112.2	W118 S119 A122 V123 S143 A144 T149 C151 A166 Y169 I175	W118-L147 HydrophobicContact CH2-CG 4.31Å; W118-L147 HydrophobicContact CZ3-CD1 4.22Å; W118-L147 HydrophobicContact CZ3-CD2 4.29Å; W118-L147 HydrophobicContact CZ3-CG 3.93Å; S119-L147 WeakPolarHBondContact OG-CD2 3.44Å; A122-L147 HydrophobicContact CB-CD2 3.85Å; V123-L147 HydrophobicContact CG1-CB 4.21Å; V123-L147 HydrophobicContact CG1-CD2 3.8Å; S143-L147 PolarHBondContact O-N 3.38Å; A144-L147 PolarHBondContact O-N 3.06Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 3.4Å; L147-C151 HydrophobicContact CD1-CB 3.92Å; L147-C151 VanDerWaalsContact O-CB 3.28Å; L147-C151 WeakPolarHBondContact O-CB 3.43Å; L147-C151 PolarHBondContact O-N 3.38Å; L147-C151 VanDerWaalsContact O-N 3.12Å; L147-A166 HydrophobicContact CD1-CB 4.22Å; L147-A166 HydrophobicContact CD2-CB 4.01Å; L147-Y169 HydrophobicContact CD1-CD1 3.67Å; L147-Y169 HydrophobicContact CD1-CE1 4.37Å; L147-Y169 HydrophobicContact CD1-CG 4.2Å; L147-I175 HydrophobicContact CB-CD1 4.01Å; L147-I175 HydrophobicContact CB-CG1 4.4Å; L147-I175 HydrophobicContact CD1-CD1 4.16Å; L147-I175 HydrophobicContact CD2-CD1 4.04Å; L147-I175 HydrophobicContact CG-CD1 4.29Å
148	L	97.9	Very high	97.6	Very high	5 Å²	5	33 Å²	33	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-50.6	-44.8	176.9	148.2	66.4	0	0	0	112.6	A144 V145 Y190 T213	A144-L148 WeakPolarHBondContact O-CB 3Å; A144-L148 PolarHBondContact O-N 3.28Å; V145-L148 HydrophobicContact CB-CD2 4.41Å; V145-L148 HydrophobicContact CG2-CD2 4.14Å; L148-Y190 HydrophobicContact CD2-CE2 4.07Å; L148-T213 HydrophobicContact CD1-CG2 3.93Å
149	T	98.3	Very high	97.6	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-94.7	-28.8	-169.7	62.1	0	0	0	0	113.9	V145 L147 T213 P214 C216	V145-T149 HydrophobicContact CG2-CG2 3.66Å; V145-T149 VanDerWaalsContact O-CB 3.31Å; V145-T149 WeakPolarHBondContact O-CB 3.31Å; V145-T149 VanDerWaalsContact O-CG2 3.24Å; V145-T149 WeakPolarHBondContact O-CG2 3.26Å; V145-T149 PolarHBondContact O-N 2.66Å; V145-T149 PolarHBondContact O-OG1 3.33Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 3.4Å; T149-T213 HydrophobicContact CG2-CG2 4.44Å; T149-P214 HydrophobicContact CG2-CB 3.87Å; T149-P214 HydrophobicContact CG2-CG 4.07Å; T149-P214 WeakPolarHBondContact CG2-O 3.42Å; T149-C216 WeakPolarHBondContact O-CB 3.45Å
150	C	98.5	Very high	97.7	Very high	15 Å²	15	32.3 Å²	32.3	10%	0.101	18%	0.18	C	C	.	.	H	α-helix	trans	-103.5	-16.5	-173.2	-58.1	0	0	0	0	113.9	D146 E152 Y169 C216	D146-C150 WeakPolarHBondContact O-CB 3.32Å; D146-C150 PolarHBondContact O-N 2.87Å; C150-E152 PolarHBondContact O-N 2.04Å; C150-Y169 WeakPolarHBondContact CB-OH 3.43Å; C150-C216 HydrophobicContact CB-CB 4Å; C150-C216 WeakPolarHBondContact CB-SG 3.17Å; C150-C216 WeakPolarHBondContact SG-CB 3.18Å; C150-C216 CovalentContact SG-SG 2.04Å; C150-C216 PolarHBondContact SG-SG 3.39Å
151	C	98.4	Very high	97.7	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.027	17%	0.172	C	C	.	.			trans	-86.2	84.6	174	-174.4	0	0	0	0	112.2	L147 S153 C154 Y169	L147-C151 HydrophobicContact CD1-CB 3.92Å; L147-C151 VanDerWaalsContact O-CB 3.28Å; L147-C151 WeakPolarHBondContact O-CB 3.43Å; L147-C151 PolarHBondContact O-N 3.38Å; L147-C151 VanDerWaalsContact O-N 3.12Å; C151-S153 PolarHBondContact O-N 2.95Å; C151-S153 PolarHBondContact SG-OG 3.19Å; C151-C154 HydrophobicContact CB-CB 3.72Å; C151-C154 WeakPolarHBondContact CB-SG 3.32Å; C151-C154 WeakPolarHBondContact O-CB 3.33Å; C151-C154 PolarHBondContact O-N 3.38Å; C151-C154 VanDerWaalsContact O-N 3.11Å; C151-C154 WeakPolarHBondContact SG-CB 3.46Å; C151-C154 PolarHBondContact SG-N 3Å; C151-C154 CovalentContact SG-SG 2.02Å; C151-C154 PolarHBondContact SG-SG 2.8Å; C151-Y169 HydrophobicContact CB-CD1 4.18Å; C151-Y169 HydrophobicContact CB-CD2 3.64Å; C151-Y169 HydrophobicContact CB-CE2 4.01Å; C151-Y169 HydrophobicContact CB-CG 3.73Å
152	E	96.8	Very high	97.7	Very high	181 Å²	181	30.5 Å²	30.5	85%	0.846	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-61.6	-31.1	177	-61.6	-177.8	173.2	0	0	113	C150 C154	C150-E152 PolarHBondContact O-N 2.04Å; E152-C154 PolarHBondContact O-N 3.39Å
153	S	96.1	Very high	97.7	Very high	81 Å²	81	30.6 Å²	30.6	57%	0.566	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-77.3	-6.8	178.2	58.5	0	0	0	0	114.2	C151 P165	C151-S153 PolarHBondContact O-N 2.95Å; C151-S153 PolarHBondContact SG-OG 3.19Å; S153-P165 WeakPolarHBondContact O-CB 3.22Å
154	C	97.5	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-88.6	-16.9	-176.6	-66.6	0	0	0	0	113.5	W118 C151 E152 G161 I162 P165 A166	W118-C154 HydrophobicContact CE3-CB 4.06Å; W118-C154 HydrophobicContact CH2-CB 3.36Å; W118-C154 HydrophobicContact CZ2-CB 4.25Å; W118-C154 HydrophobicContact CZ3-CB 3.25Å; C151-C154 HydrophobicContact CB-CB 3.72Å; C151-C154 WeakPolarHBondContact CB-SG 3.32Å; C151-C154 WeakPolarHBondContact O-CB 3.33Å; C151-C154 PolarHBondContact O-N 3.38Å; C151-C154 VanDerWaalsContact O-N 3.11Å; C151-C154 WeakPolarHBondContact SG-CB 3.46Å; C151-C154 PolarHBondContact SG-N 3Å; C151-C154 CovalentContact SG-SG 2.02Å; C151-C154 PolarHBondContact SG-SG 2.8Å; E152-C154 PolarHBondContact O-N 3.39Å; C154-G161 CarbonylContact O-C 3.38Å; C154-G161 WeakPolarHBondContact O-CA 3.41Å; C154-I162 PolarHBondContact O-N 2.85Å; C154-P165 HydrophobicContact CB-CB 4.39Å; C154-A166 WeakPolarHBondContact SG-CA 3.34Å; C154-A166 PolarHBondContact SG-N 2.95Å; C154-A166 VanDerWaalsContact SG-N 3.43Å
155	G	94.2	Very high	97.7	Very high	31 Å²	31	30.6 Å²	30.6	32%	0.32	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	139.6	-142.8	-179.4	0	0	0	0	0	112.4
156	L	96.9	Very high	97.7	Very high	94 Å²	94	30 Å²	30	49%	0.492	17%	0.167	S	C	.	.			trans	-115.4	29.2	-170	-59.3	176.6	0	0	0	111.9	C158 E159 G160 T213	L156-C158 PolarHBondContact O-N 2.92Å; L156-C158 VanDerWaalsContact O-N 3.16Å; L156-E159 HydrophobicContact CB-CB 3.82Å; L156-E159 PolarHBondContact O-N 2.8Å; L156-E159 VanDerWaalsContact O-N 3.11Å; L156-G160 PolarHBondContact N-O 3.31Å; L156-T213 PolarHBondContact O-OG1 2.91Å
157	G	97.1	Very high	97.7	Very high	4 Å²	4	30 Å²	30	4%	0.041	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	62.5	-113.3	176.8	0	0	0	0	0	113.8	W118 E159 G160 T213	W118-G157 PolarHBondContact NE1-O 2.94Å; G157-E159 PolarHBondContact O-N 3.14Å; G157-G160 PolarHBondContact O-N 2.93Å; G157-G160 VanDerWaalsContact O-N 3.15Å; G157-T213 WeakPolarHBondContact CA-OG1 3.37Å
158	C	97.4	Very high	97.7	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.074	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-70.4	-9.8	177.1	-70.7	0	0	0	0	114	C114 G115 L156 G160 Y211 T213	C114-C158 HydrophobicContact CB-CB 3.94Å; C114-C158 WeakPolarHBondContact CB-SG 3.38Å; C114-C158 WeakPolarHBondContact SG-CA 3.14Å; C114-C158 WeakPolarHBondContact SG-CB 3.13Å; C114-C158 CovalentContact SG-SG 2.04Å; C114-C158 PolarHBondContact SG-SG 3.36Å; G115-C158 WeakPolarHBondContact CA-O 3.02Å; G115-C158 PolarHBondContact N-O 3.42Å; L156-C158 PolarHBondContact O-N 2.92Å; L156-C158 VanDerWaalsContact O-N 3.16Å; C158-G160 VanDerWaalsContact C-N 3.29Å; C158-Y211 WeakPolarHBondContact CB-O 3.47Å; C158-T213 PolarHBondContact N-OG1 3.31Å
159	E	97	Very high	97.8	Very high	140 Å²	140	32.9 Å²	32.9	65%	0.654	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-92.3	6	172.1	-61.8	177.5	-106.6	0	0	111.7	R66 L156 G157	R66-E159 PolarHBondContact NH2-O 3.37Å; L156-E159 HydrophobicContact CB-CB 3.82Å; L156-E159 PolarHBondContact O-N 2.8Å; L156-E159 VanDerWaalsContact O-N 3.11Å; G157-E159 PolarHBondContact O-N 3.14Å
160	G	97.5	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.			trans	103.5	166.4	176.9	0	0	0	0	0	114.6	G64 G115 L156 G157 C158	G64-G160 CarbonylContact O-C 3.21Å; G64-G160 WeakPolarHBondContact O-CA 3.5Å; G115-G160 WeakPolarHBondContact O-CA 3.46Å; G115-G160 PolarHBondContact O-N 3.46Å; L156-G160 PolarHBondContact N-O 3.31Å; G157-G160 PolarHBondContact O-N 2.93Å; G157-G160 VanDerWaalsContact O-N 3.15Å; C158-G160 VanDerWaalsContact C-N 3.29Å
161	G	98.1	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-163	-170.7	-172.4	0	0	0	0	0	112.7	G64 R66 C154	G64-G161 PolarHBondContact O-N 2.99Å; R66-G161 PolarHBondContact N-O 3.06Å; C154-G161 CarbonylContact O-C 3.38Å; C154-G161 WeakPolarHBondContact O-CA 3.41Å
162	I	98.4	Very high	97.8	Very high	39 Å²	39	39.4 Å²	39.4	20%	0.2	21%	0.208	C	C	.	.			trans	-123.9	130.8	-166.9	-52.9	174.2	0	0	0	108.5	R66 E68 C154 P165	R66-I162 HydrophobicContact CB-CG1 4.49Å; E68-I162 HydrophobicContact CB-CG2 3.48Å; E68-I162 VanDerWaalsContact CB-CG2 3.48Å; E68-I162 HydrophobicContact CG-CG2 3.86Å; C154-I162 PolarHBondContact O-N 2.85Å; I162-P165 HydrophobicContact CB-CG 4.17Å; I162-P165 VanDerWaalsContact CG2-CD 3.48Å; I162-P165 HydrophobicContact CG2-CG 4.18Å
163	L	98.7	Very high	97.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-52.2	-176.4	-80.8	64	0	0	0	111.6	A65 W118 A166 E259 A288 I335	A65-L163 HydrophobicContact CB-CD1 4.01Å; W118-L163 HydrophobicContact CB-CD1 4.36Å; L163-A166 VanDerWaalsContact O-CB 3.28Å; L163-A166 WeakPolarHBondContact O-CB 3.37Å; L163-A166 PolarHBondContact O-N 2.91Å; L163-E259 HydrophobicContact CD2-CG 3.83Å; L163-E259 HydrophobicContact CG-CG 4.01Å; L163-A288 HydrophobicContact CD1-CB 3.87Å; L163-A288 HydrophobicContact CG-CB 4.38Å; L163-I335 HydrophobicContact CB-CG2 3.9Å; L163-I335 HydrophobicContact CD2-CG2 4.23Å; L163-I335 HydrophobicContact CG-CG2 4.47Å
164	G	98.6	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-38.4	-69.5	177.7	0	0	0	0	0	115.7	E68 A166 W167 D168	E68-G164 WeakPolarHBondContact OE2-CA 3.3Å; G164-A166 PolarHBondContact O-N 3.43Å; G164-W167 PolarHBondContact O-N 3.45Å; G164-D168 PolarHBondContact O-N 3.01Å
165	P	98.6	Very high	98.1	Very high	4 Å²	4	31 Å²	31	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-26.2	179.8	-28.5	37.5	0	0	0	115.2	S153 C154 I162 W167 D168 Y169	S153-P165 WeakPolarHBondContact O-CB 3.22Å; C154-P165 HydrophobicContact CB-CB 4.39Å; I162-P165 HydrophobicContact CB-CG 4.17Å; I162-P165 VanDerWaalsContact CG2-CD 3.48Å; I162-P165 HydrophobicContact CG2-CG 4.18Å; P165-W167 VanDerWaalsContact C-N 3.35Å; P165-D168 PolarHBondContact O-N 3.11Å; P165-Y169 WeakPolarHBondContact O-CB 3Å; P165-Y169 PolarHBondContact O-N 3.18Å
166	A	98.8	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-42.7	177.9	0	0	0	0	0	111.8	W118 A122 L147 C154 L163 G164 Y169 W170	W118-A166 HydrophobicContact CE3-CB 4.02Å; W118-A166 HydrophobicContact CZ3-CB 4Å; A122-A166 HydrophobicContact CB-CB 4.03Å; L147-A166 HydrophobicContact CD1-CB 4.22Å; L147-A166 HydrophobicContact CD2-CB 4.01Å; C154-A166 WeakPolarHBondContact SG-CA 3.34Å; C154-A166 PolarHBondContact SG-N 2.95Å; C154-A166 VanDerWaalsContact SG-N 3.43Å; L163-A166 VanDerWaalsContact O-CB 3.28Å; L163-A166 WeakPolarHBondContact O-CB 3.37Å; L163-A166 PolarHBondContact O-N 2.91Å; G164-A166 PolarHBondContact O-N 3.43Å; A166-Y169 PolarHBondContact O-N 2.92Å; A166-W170 PolarHBondContact O-N 3.08Å; A166-W170 VanDerWaalsContact O-N 3.09Å
167	W	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-71	-32.9	175.5	-68.7	76.3	0	0	0	112.4	A125 M126 G164 P165 W170 V171 E259 I335 A336	A125-W167 HydrophobicContact CB-CH2 3.74Å; A125-W167 HydrophobicContact CB-CZ2 3.75Å; M126-W167 HydrophobicContact CE-CB 4.13Å; M126-W167 HydrophobicContact CE-CD2 3.48Å; M126-W167 VanDerWaalsContact CE-CD2 3.48Å; M126-W167 HydrophobicContact CE-CE3 3.76Å; M126-W167 HydrophobicContact CE-CG 3.63Å; M126-W167 HydrophobicContact CE-CZ3 4.38Å; M126-W167 HydrophobicContact CG-CE3 4.07Å; M126-W167 HydrophobicContact CG-CH2 4.02Å; M126-W167 HydrophobicContact CG-CZ2 4.44Å; M126-W167 HydrophobicContact CG-CZ3 3.79Å; G164-W167 PolarHBondContact O-N 3.45Å; P165-W167 VanDerWaalsContact C-N 3.35Å; W167-W170 AromaticContact CE3-CE3 3.93Å; W167-W170 HydrophobicContact CE3-CE3 3.93Å; W167-W170 HydrophobicContact CE3-CZ3 4Å; W167-W170 HydrophobicContact CZ3-CE3 4.31Å; W167-W170 HydrophobicContact CZ3-CZ3 4.02Å; W167-W170 PolarHBondContact O-N 2.86Å; W167-V171 WeakPolarHBondContact O-CG2 3.49Å; W167-V171 PolarHBondContact O-N 3.2Å; W167-E259 HydrophobicContact CZ2-CB 3.89Å; W167-E259 PolarHBondContact NE1-OE2 2.79Å; W167-I335 HydrophobicContact CB-CD1 3.97Å; W167-I335 HydrophobicContact CB-CG1 4.29Å; W167-I335 HydrophobicContact CD2-CG1 4.39Å; W167-I335 HydrophobicContact CG-CD1 3.94Å; W167-I335 HydrophobicContact CG-CG1 3.89Å; W167-I335 HydrophobicContact CG-CG2 4.41Å; W167-I335 VanDerWaalsContact NE1-CG2 3.34Å; W167-A336 HydrophobicContact CH2-CB 4.43Å; W167-A336 VanDerWaalsContact CZ3-C 3.41Å
168	D	98.7	Very high	98.4	Very high	40 Å²	40	25.5 Å²	25.5	21%	0.214	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-43.8	173	-63.1	-21.7	0	0	0	112	R77 G164 P165 W170 V171 K172 S238	R77-D168 IonicContact CZ-OD1 3.95Å; R77-D168 IonicContact CZ-OD2 3.29Å; R77-D168 IonicContact NH1-OD1 2.74Å; R77-D168 PolarHBondContact NH1-OD1 2.9Å; R77-D168 IonicContact NH1-OD2 2.74Å; R77-D168 PolarHBondContact NH1-OD2 3.03Å; R77-D168 IonicContact NH2-OD2 2.87Å; G164-D168 PolarHBondContact O-N 3.01Å; P165-D168 PolarHBondContact O-N 3.11Å; D168-W170 VanDerWaalsContact C-N 3.29Å; D168-W170 PolarHBondContact O-N 2.97Å; D168-V171 PolarHBondContact O-N 2.82Å; D168-V171 VanDerWaalsContact O-N 3.12Å; D168-K172 WeakPolarHBondContact O-CB 3.34Å; D168-K172 PolarHBondContact O-N 2.89Å; D168-S238 WeakPolarHBondContact OD1-CB 3.49Å; D168-S238 PolarHBondContact OD1-OG 2.96Å
169	Y	98.8	Very high	98.4	Very high	25 Å²	25	25.2 Å²	25.2	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-41.2	177	-177.7	-90.4	0	0	0	110.9	L147 C150 C151 P165 A166 V171 K172 E173 G174 I175	L147-Y169 HydrophobicContact CD1-CD1 3.67Å; L147-Y169 HydrophobicContact CD1-CE1 4.37Å; L147-Y169 HydrophobicContact CD1-CG 4.2Å; C150-Y169 WeakPolarHBondContact CB-OH 3.43Å; C151-Y169 HydrophobicContact CB-CD1 4.18Å; C151-Y169 HydrophobicContact CB-CD2 3.64Å; C151-Y169 HydrophobicContact CB-CE2 4.01Å; C151-Y169 HydrophobicContact CB-CG 3.73Å; P165-Y169 WeakPolarHBondContact O-CB 3Å; P165-Y169 PolarHBondContact O-N 3.18Å; A166-Y169 PolarHBondContact O-N 2.92Å; Y169-V171 VanDerWaalsContact C-N 3.28Å; Y169-V171 PolarHBondContact O-N 3.01Å; Y169-K172 PolarHBondContact O-N 2.71Å; Y169-E173 HydrophobicContact CD1-CB 4.41Å; Y169-E173 HydrophobicContact CD2-CB 4.11Å; Y169-E173 HydrophobicContact CD2-CG 3.86Å; Y169-E173 HydrophobicContact CE1-CB 4.06Å; Y169-E173 HydrophobicContact CE2-CB 3.73Å; Y169-E173 HydrophobicContact CE2-CG 3.58Å; Y169-E173 HydrophobicContact CG-CB 4.44Å; Y169-E173 PolarHBondContact O-N 2.97Å; Y169-G174 WeakPolarHBondContact CE1-O 3.38Å; Y169-G174 PolarHBondContact O-N 2.94Å; Y169-G174 VanDerWaalsContact O-N 3.09Å; Y169-I175 HydrophobicContact CD1-CG1 4.3Å; Y169-I175 HydrophobicContact CE1-CG1 4.36Å
170	W	98.9	Very high	98.4	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-36.6	174.2	177.3	55	0	0	0	113.1	M126 A166 W167 D168 G174 I175 H233 R234 G235 I339	M126-W170 HydrophobicContact CB-CD2 4.39Å; M126-W170 HydrophobicContact CB-CZ2 4.31Å; M126-W170 HydrophobicContact CE-CB 3.57Å; M126-W170 HydrophobicContact CE-CD2 4.17Å; M126-W170 HydrophobicContact CE-CE3 4.18Å; M126-W170 HydrophobicContact CE-CG 3.95Å; M126-W170 HydrophobicContact CG-CD2 3.78Å; M126-W170 HydrophobicContact CG-CE3 3.91Å; M126-W170 HydrophobicContact CG-CG 4.18Å; M126-W170 HydrophobicContact CG-CZ2 4.41Å; M126-W170 HydrophobicContact CG-CZ3 4.28Å; M126-W170 HydrophobicContact SD-CB 3.72Å; M126-W170 HydrophobicContact SD-CD2 3.83Å; M126-W170 HydrophobicContact SD-CE3 4.3Å; M126-W170 HydrophobicContact SD-CG 3.56Å; M126-W170 VanDerWaalsContact SD-CG 3.56Å; A166-W170 PolarHBondContact O-N 3.08Å; A166-W170 VanDerWaalsContact O-N 3.09Å; W167-W170 AromaticContact CE3-CE3 3.93Å; W167-W170 HydrophobicContact CE3-CE3 3.93Å; W167-W170 HydrophobicContact CE3-CZ3 4Å; W167-W170 HydrophobicContact CZ3-CE3 4.31Å; W167-W170 HydrophobicContact CZ3-CZ3 4.02Å; W167-W170 PolarHBondContact O-N 2.86Å; D168-W170 VanDerWaalsContact C-N 3.29Å; D168-W170 PolarHBondContact O-N 2.97Å; W170-G174 VanDerWaalsContact O-CA 3.31Å; W170-G174 WeakPolarHBondContact O-CA 3.38Å; W170-G174 PolarHBondContact O-N 2.76Å; W170-I175 HydrophobicContact CB-CD1 3.95Å; W170-I175 HydrophobicContact CB-CG1 4.46Å; W170-I175 HydrophobicContact CG-CD1 4.25Å; W170-H233 PolarHBondContact NE1-O 3.38Å; W170-H233 VanDerWaalsContact NE1-O 3.13Å; W170-R234 WeakPolarHBondContact O-CA 2.9Å; W170-G235 VanDerWaalsContact CE2-CA 3.48Å; W170-G235 VanDerWaalsContact CZ2-CA 3.48Å; W170-G235 PolarHBondContact O-N 3.2Å; W170-I339 HydrophobicContact CH2-CG2 3.65Å; W170-I339 HydrophobicContact CZ2-CG2 3.69Å
171	V	98.8	Very high	98.3	Very high	34 Å²	34	23.1 Å²	23.1	21%	0.206	11%	0.113	C	C	.	.	H	α-helix	trans	-72.7	-45.8	174.4	175.9	0	0	0	0	111.4	W167 D168 Y169 R234 G235	W167-V171 WeakPolarHBondContact O-CG2 3.49Å; W167-V171 PolarHBondContact O-N 3.2Å; D168-V171 PolarHBondContact O-N 2.82Å; D168-V171 VanDerWaalsContact O-N 3.12Å; Y169-V171 VanDerWaalsContact C-N 3.28Å; Y169-V171 PolarHBondContact O-N 3.01Å; V171-R234 PolarHBondContact O-NE 3.24Å; V171-R234 VanDerWaalsContact O-NE 3.09Å; V171-R234 PolarHBondContact O-NH2 2.88Å; V171-G235 WeakPolarHBondContact CA-O 3.43Å
172	K	98.5	Very high	98.1	Very high	140 Å²	140	26.4 Å²	26.4	61%	0.609	13%	0.128	S	C	*	.	H	α-helix	trans	-77.2	-41.5	-171.4	-171.4	-169.8	170.8	-163.8	0	114.1	D168 Y169 R234	D168-K172 WeakPolarHBondContact O-CB 3.34Å; D168-K172 PolarHBondContact O-N 2.89Å; Y169-K172 PolarHBondContact O-N 2.71Å; K172-R234 VanDerWaalsContact C-NH2 3.3Å; K172-R234 PolarHBondContact O-NH2 2.96Å
173	E	98.5	Very high	97.9	Very high	84 Å²	84	29.6 Å²	29.6	39%	0.393	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-30	-172.8	-57.7	-58.2	155.3	0	0	111.8	Y169	Y169-E173 HydrophobicContact CD1-CB 4.41Å; Y169-E173 HydrophobicContact CD2-CB 4.11Å; Y169-E173 HydrophobicContact CD2-CG 3.86Å; Y169-E173 HydrophobicContact CE1-CB 4.06Å; Y169-E173 HydrophobicContact CE2-CB 3.73Å; Y169-E173 HydrophobicContact CE2-CG 3.58Å; Y169-E173 HydrophobicContact CG-CB 4.44Å; Y169-E173 PolarHBondContact O-N 2.97Å
174	G	98.6	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.			trans	78	170.9	-174.6	0	0	0	0	0	113.1	Y169 W170 K232 H233	Y169-G174 WeakPolarHBondContact CE1-O 3.38Å; Y169-G174 PolarHBondContact O-N 2.94Å; Y169-G174 VanDerWaalsContact O-N 3.09Å; W170-G174 VanDerWaalsContact O-CA 3.31Å; W170-G174 WeakPolarHBondContact O-CA 3.38Å; W170-G174 PolarHBondContact O-N 2.76Å; G174-K232 VanDerWaalsContact C-CD 3.47Å; G174-K232 WeakPolarHBondContact O-CD 3.49Å; G174-K232 PolarHBondContact O-NZ 2.73Å; G174-H233 CarbonylContact C-O 3.59Å; G174-H233 WeakPolarHBondContact CA-O 3.34Å
175	I	98.9	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-130.9	136	-175.4	-59.1	168.7	0	0	0	108.8	V123 M126 L142 S143 D146 L147 Y169 W170 H233	V123-I175 HydrophobicContact CG1-CD1 4.01Å; V123-I175 HydrophobicContact CG1-CG2 4.31Å; M126-I175 HydrophobicContact SD-CD1 3.68Å; L142-I175 HydrophobicContact CB-CG2 4.09Å; S143-I175 VanDerWaalsContact O-CG2 3.32Å; S143-I175 WeakPolarHBondContact O-CG2 3.41Å; D146-I175 HydrophobicContact CB-CG2 4.31Å; D146-I175 VanDerWaalsContact OD2-CA 3.3Å; D146-I175 WeakPolarHBondContact OD2-CA 3.31Å; L147-I175 HydrophobicContact CB-CD1 4.01Å; L147-I175 HydrophobicContact CB-CG1 4.4Å; L147-I175 HydrophobicContact CD1-CD1 4.16Å; L147-I175 HydrophobicContact CD2-CD1 4.04Å; L147-I175 HydrophobicContact CG-CD1 4.29Å; Y169-I175 HydrophobicContact CD1-CG1 4.3Å; Y169-I175 HydrophobicContact CE1-CG1 4.36Å; W170-I175 HydrophobicContact CB-CD1 3.95Å; W170-I175 HydrophobicContact CB-CG1 4.46Å; W170-I175 HydrophobicContact CG-CD1 4.25Å; I175-H233 PolarHBondContact N-O 2.87Å; I175-H233 PolarHBondContact O-N 2.57Å
176	V	98.8	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.			trans	-77.9	168.7	177.4	-56.6	0	0	0	0	111.9	S143 D146 C187 E188 Y228 D231 K232	S143-V176 VanDerWaalsContact CB-O 3.27Å; S143-V176 WeakPolarHBondContact CB-O 3.23Å; S143-V176 PolarHBondContact N-O 3.21Å; D146-V176 HydrophobicContact CB-CG2 3.78Å; D146-V176 PolarHBondContact OD2-N 3.33Å; V176-C187 HydrophobicContact CB-CB 3.83Å; V176-C187 HydrophobicContact CG2-CB 3.83Å; V176-E188 HydrophobicContact CG2-CB 4.11Å; V176-E188 HydrophobicContact CG2-CG 4.08Å; V176-Y228 HydrophobicContact CG1-CD2 3.63Å; V176-Y228 HydrophobicContact CG1-CE2 3.58Å; V176-Y228 HydrophobicContact CG1-CG 4.23Å; V176-Y228 WeakPolarHBondContact CG1-O 3.42Å; V176-Y228 HydrophobicContact CG2-CD2 4.43Å; V176-Y228 HydrophobicContact CG2-CE2 4.16Å; V176-D231 WeakPolarHBondContact CA-O 3.39Å; V176-D231 HydrophobicContact CB-CB 4.31Å; V176-D231 HydrophobicContact CG1-CB 4.27Å; V176-K232 HydrophobicContact CG1-CD 3.72Å; V176-K232 HydrophobicContact CG1-CG 4.06Å
177	T	98.8	Very high	97.5	Very high	12 Å²	12	39.1 Å²	39.1	7%	0.074	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-77.7	150.7	176	65.4	0	0	0	0	112.1	V140 E141 G186 C187 E188 Y224 D231	V140-T177 HydrophobicContact CB-CG2 4.18Å; V140-T177 HydrophobicContact CG1-CG2 4.24Å; E141-T177 CarbonylContact O-C 3.53Å; E141-T177 WeakPolarHBondContact O-CA 3.46Å; T177-G186 WeakPolarHBondContact OG1-CA 3.35Å; T177-C187 WeakPolarHBondContact O-CA 3.39Å; T177-C187 WeakPolarHBondContact O-CB 3.17Å; T177-C187 PolarHBondContact O-N 3.38Å; T177-C187 PolarHBondContact OG1-N 2.57Å; T177-E188 PolarHBondContact O-N 3.23Å; T177-Y224 PolarHBondContact OG1-OH 3.2Å; T177-D231 WeakPolarHBondContact CB-OD2 3.48Å; T177-D231 WeakPolarHBondContact CG2-OD2 3.37Å; T177-D231 PolarHBondContact N-OD2 3.02Å; T177-D231 PolarHBondContact OG1-OD2 3.26Å
178	A	97.8	Very high	97.5	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-171.2	148.1	170.7	0	0	0	0	0	112.6	E141 S143 T185 E188	E141-A178 WeakPolarHBondContact CB-O 3.34Å; E141-A178 VanDerWaalsContact CG-O 3.23Å; E141-A178 WeakPolarHBondContact CG-O 3.02Å; E141-A178 PolarHBondContact O-N 3.21Å; S143-A178 WeakPolarHBondContact OG-CB 3.36Å; A178-T185 WeakPolarHBondContact CA-O 3.24Å; A178-E188 WeakPolarHBondContact CB-O 3.38Å
179	S	96.9	Very high	97.4	Very high	4 Å²	4	39 Å²	39	3%	0.028	20%	0.198	C	C	.	.			trans	-94.3	-175.5	167.3	70.9	0	0	0	0	113.7	E141 N183 H184 T185 P189 Y190	E141-S179 WeakPolarHBondContact OE2-CA 3.25Å; S179-N183 VanDerWaalsContact OG-CB 3.31Å; S179-N183 WeakPolarHBondContact OG-CB 3.23Å; S179-H184 PolarHBondContact OG-N 3.4Å; S179-T185 VanDerWaalsContact CB-OG1 3.24Å; S179-T185 WeakPolarHBondContact CB-OG1 3.48Å; S179-T185 PolarHBondContact N-O 3.28Å; S179-T185 PolarHBondContact OG-N 3.42Å; S179-T185 PolarHBondContact OG-O 3.16Å; S179-T185 PolarHBondContact OG-OG1 3.16Å; S179-P189 WeakPolarHBondContact O-CA 3.37Å; S179-Y190 PolarHBondContact O-N 3.26Å
180	S	96.8	Very high	97.4	Very high	19 Å²	19	38.4 Å²	38.4	13%	0.133	20%	0.195	C	C	.	.			trans	-57.7	166.7	161.2	86.2	0	0	0	0	112.2	E182 N183 H184	S180-E182 VanDerWaalsContact CB-OE2 3.28Å; S180-E182 WeakPolarHBondContact CB-OE2 3.36Å; S180-E182 PolarHBondContact O-N 3.23Å; S180-E182 PolarHBondContact OG-N 2.99Å; S180-E182 PolarHBondContact OG-OE2 2.79Å; S180-N183 PolarHBondContact O-N 2.77Å; S180-H184 PolarHBondContact O-N 2.92Å
181	K	95.7	Very high	97.3	Very high	78 Å²	78	40.3 Å²	40.3	34%	0.339	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-41.1	175.8	-174.5	-173.5	-179.1	64	0	112	H184 Y190 P191 F192 P193	K181-H184 PolarHBondContact O-CD2 2.64Å; K181-H184 PolarHBondContact O-CE1 3.47Å; K181-H184 PolarHBondContact O-ND1 2.99Å; K181-H184 PolarHBondContact O-NE2 3.12Å; K181-H184 VanDerWaalsContact O-NE2 3.12Å; K181-Y190 WeakPolarHBondContact CA-O 3.17Å; K181-Y190 WeakPolarHBondContact CB-O 3.33Å; K181-Y190 PolarHBondContact N-O 3.17Å; K181-P191 PolarHBondContact NZ-O 3.13Å; K181-F192 WeakPolarHBondContact CB-O 3.13Å; K181-P193 VanDerWaalsContact CD-CA 3.48Å; K181-P193 HydrophobicContact CD-CB 3.82Å
182	E	94	Very high	97.2	Very high	69 Å²	69	39.5 Å²	39.5	32%	0.322	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-32.5	-170.9	-59.6	68.4	-146	0	0	112.4	S180 H184 P193 K194	S180-E182 VanDerWaalsContact CB-OE2 3.28Å; S180-E182 WeakPolarHBondContact CB-OE2 3.36Å; S180-E182 PolarHBondContact O-N 3.23Å; S180-E182 PolarHBondContact OG-N 2.99Å; S180-E182 PolarHBondContact OG-OE2 2.79Å; E182-H184 PolarHBondContact O-CD2 3.01Å; E182-H184 VanDerWaalsContact O-CD2 3.27Å; E182-P193 WeakPolarHBondContact OE1-CA 3.22Å; E182-K194 PolarHBondContact OE1-N 2.83Å; E182-K194 WeakPolarHBondContact OE2-CG 3.34Å
183	N	94.5	Very high	97	Very high	106 Å²	106	34.3 Å²	34.3	57%	0.567	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-27.6	-177	-75.4	-11.7	0	0	0	113	S179 S180 T185	S179-N183 VanDerWaalsContact OG-CB 3.31Å; S179-N183 WeakPolarHBondContact OG-CB 3.23Å; S180-N183 PolarHBondContact O-N 2.77Å; N183-T185 VanDerWaalsContact C-N 3.29Å; N183-T185 WeakPolarHBondContact O-CG2 3.47Å; N183-T185 PolarHBondContact O-N 2.95Å
184	H	93.6	Very high	96.7	Very high	116 Å²	116	31.2 Å²	31.2	54%	0.537	17%	0.168	S	C	.	.			trans	54.2	34.6	177.9	-60	-73.1	0	0	0	115.2	S179 S180 K181 E182 Q221	S179-H184 PolarHBondContact OG-N 3.4Å; S180-H184 PolarHBondContact O-N 2.92Å; K181-H184 PolarHBondContact O-CD2 2.64Å; K181-H184 PolarHBondContact O-CE1 3.47Å; K181-H184 PolarHBondContact O-ND1 2.99Å; K181-H184 PolarHBondContact O-NE2 3.12Å; K181-H184 VanDerWaalsContact O-NE2 3.12Å; E182-H184 PolarHBondContact O-CD2 3.01Å; E182-H184 VanDerWaalsContact O-CD2 3.27Å; H184-Q221 PolarHBondContact O-NE2 2.9Å
185	T	96	Very high	96.2	Very high	80 Å²	80	31.3 Å²	31.3	49%	0.491	17%	0.168	S	C	.	.			trans	-112.5	161.9	177.9	67.6	0	0	0	0	112.9	A178 S179 N183	A178-T185 WeakPolarHBondContact CA-O 3.24Å; S179-T185 VanDerWaalsContact CB-OG1 3.24Å; S179-T185 WeakPolarHBondContact CB-OG1 3.48Å; S179-T185 PolarHBondContact N-O 3.28Å; S179-T185 PolarHBondContact OG-N 3.42Å; S179-T185 PolarHBondContact OG-O 3.16Å; S179-T185 PolarHBondContact OG-OG1 3.16Å; N183-T185 VanDerWaalsContact C-N 3.29Å; N183-T185 WeakPolarHBondContact O-CG2 3.47Å; N183-T185 PolarHBondContact O-N 2.95Å
186	G	97.6	Very high	95	Very high	11 Å²	11	32 Å²	32	11%	0.113	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	82.5	-174.3	-174.4	0	0	0	0	0	113.8	T177 Q221 Y224	T177-G186 WeakPolarHBondContact OG1-CA 3.35Å; G186-Q221 PolarHBondContact O-NE2 3.49Å; G186-Y224 VanDerWaalsContact C-CD2 3.47Å; G186-Y224 WeakPolarHBondContact O-CD2 3.38Å
187	C	98.6	Very high	93.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-70	-55.2	-179.6	177	0	0	0	0	112.6	V176 T177 C220 Q221 Y224 D231	V176-C187 HydrophobicContact CB-CB 3.83Å; V176-C187 HydrophobicContact CG2-CB 3.83Å; T177-C187 WeakPolarHBondContact O-CA 3.39Å; T177-C187 WeakPolarHBondContact O-CB 3.17Å; T177-C187 PolarHBondContact O-N 3.38Å; T177-C187 PolarHBondContact OG1-N 2.57Å; C187-C220 HydrophobicContact CB-CB 3.83Å; C187-C220 WeakPolarHBondContact CB-SG 3.46Å; C187-C220 CarbonylContact O-C 3.5Å; C187-C220 VanDerWaalsContact O-CA 3.27Å; C187-C220 WeakPolarHBondContact O-CA 3.34Å; C187-C220 WeakPolarHBondContact SG-CA 3.46Å; C187-C220 WeakPolarHBondContact SG-CB 3.42Å; C187-C220 CovalentContact SG-SG 2.03Å; C187-C220 PolarHBondContact SG-SG 2.81Å; C187-Q221 PolarHBondContact O-N 2.79Å; C187-Y224 HydrophobicContact CB-CD1 3.86Å; C187-Y224 HydrophobicContact CB-CE1 3.83Å; C187-D231 HydrophobicContact CB-CB 4.38Å; C187-D231 WeakPolarHBondContact CB-OD2 3.36Å
188	E	98.1	Very high	91.2	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.061	18%	0.177	C	C	.	.	S	Bend	trans	-129.2	74.9	-173.9	-67.4	-168.2	174.5	0	0	113.1	S143 V145 V176 T177 A178 T219 Y228	S143-E188 PolarHBondContact OG-O 2.98Å; V145-E188 HydrophobicContact CG1-CB 4.07Å; V145-E188 WeakPolarHBondContact CG1-O 3.37Å; V176-E188 HydrophobicContact CG2-CB 4.11Å; V176-E188 HydrophobicContact CG2-CG 4.08Å; T177-E188 PolarHBondContact O-N 3.23Å; A178-E188 WeakPolarHBondContact CB-O 3.38Å; E188-T219 PolarHBondContact OE1-N 2.81Å; E188-T219 VanDerWaalsContact OE1-N 3.12Å; E188-Y228 WeakPolarHBondContact OE1-CD2 3.5Å; E188-Y228 WeakPolarHBondContact OE1-CE2 3.44Å
189	P	98.1	Very high	89.3	Confident	24 Å²	24	39.1 Å²	39.1	16%	0.156	21%	0.212	C	C	.	.			trans	-48.5	145.1	177	-25.8	31.7	0	0	0	113.8	S179 Q221	S179-P189 WeakPolarHBondContact O-CA 3.37Å; P189-Q221 VanDerWaalsContact CG-NE2 3.35Å
190	Y	98.1	Very high	87.6	Confident	12 Å²	12	49.3 Å²	49.3	5%	0.047	26%	0.255	C	S	.	.			trans	-58.3	132.6	178.1	-162.1	-119	0	0	0	110.8	Q111 S116 F120 A144 V145 L148 S179 K181 F192	Q111-Y190 WeakPolarHBondContact O-CE1 3.22Å; Q111-Y190 PolarHBondContact O-OH 3.33Å; S116-Y190 PolarHBondContact OG-OH 2.96Å; F120-Y190 HydrophobicContact CE2-CD2 4.21Å; F120-Y190 HydrophobicContact CE2-CE1 4.17Å; F120-Y190 AromaticContact CE2-CE2 3.55Å; F120-Y190 HydrophobicContact CE2-CE2 3.55Å; F120-Y190 AromaticContact CE2-CZ 3.51Å; F120-Y190 HydrophobicContact CZ-CD1 4.05Å; F120-Y190 AromaticContact CZ-CD2 3.98Å; F120-Y190 HydrophobicContact CZ-CD2 3.98Å; F120-Y190 AromaticContact CZ-CE1 3.72Å; F120-Y190 HydrophobicContact CZ-CE1 3.72Å; F120-Y190 AromaticContact CZ-CE2 3.69Å; F120-Y190 HydrophobicContact CZ-CE2 3.69Å; F120-Y190 HydrophobicContact CZ-CG 4.16Å; F120-Y190 AromaticContact CZ-CZ 3.54Å; A144-Y190 HydrophobicContact CB-CD2 4.19Å; A144-Y190 HydrophobicContact CB-CE2 4.35Å; V145-Y190 HydrophobicContact CB-CD2 4.05Å; L148-Y190 HydrophobicContact CD2-CE2 4.07Å; S179-Y190 PolarHBondContact O-N 3.26Å; K181-Y190 WeakPolarHBondContact CA-O 3.17Å; K181-Y190 WeakPolarHBondContact CB-O 3.33Å; K181-Y190 PolarHBondContact N-O 3.17Å; Y190-F192 HydrophobicContact CD1-CB 4.16Å; Y190-F192 WeakPolarHBondContact CD1-O 3.45Å; Y190-F192 HydrophobicContact CE1-CB 3.75Å; Y190-F192 AromaticContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CG 4.13Å; Y190-F192 HydrophobicContact CE2-CD2 4.23Å; Y190-F192 AromaticContact CZ-CD2 3.49Å; Y190-F192 VanDerWaalsContact CZ-CD2 3.49Å; Y190-F192 WeakPolarHBondContact OH-CD2 3.13Å
191	P	96.7	Very high	86.3	Confident	41 Å²	41	50.4 Å²	50.4	27%	0.266	27%	0.27	S	S	.	.	S	Bend	trans	-82.7	-19.4	-170.2	30.2	-34.6	0	0	0	113.7	V145 K181 P214	V145-P191 HydrophobicContact CG2-CG 4Å; K181-P191 PolarHBondContact NZ-O 3.13Å; P191-P214 HydrophobicContact CG-CG 3.98Å
192	F	95.9	Very high	85.5	Confident	17 Å²	17	52.7 Å²	52.7	8%	0.075	28%	0.28	C	S	.	.	S	Bend	trans	-99.1	140	-173.8	-45.4	-44	0	0	0	111.2	C114 K181 Y190 Y211 P214	C114-F192 HydrophobicContact CB-CD2 3.77Å; C114-F192 HydrophobicContact CB-CE2 3.71Å; K181-F192 WeakPolarHBondContact CB-O 3.13Å; Y190-F192 HydrophobicContact CD1-CB 4.16Å; Y190-F192 WeakPolarHBondContact CD1-O 3.45Å; Y190-F192 HydrophobicContact CE1-CB 3.75Å; Y190-F192 AromaticContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CG 4.13Å; Y190-F192 HydrophobicContact CE2-CD2 4.23Å; Y190-F192 AromaticContact CZ-CD2 3.49Å; Y190-F192 VanDerWaalsContact CZ-CD2 3.49Å; Y190-F192 WeakPolarHBondContact OH-CD2 3.13Å; F192-Y211 HydrophobicContact CB-CD2 4.03Å; F192-Y211 HydrophobicContact CB-CE2 3.95Å; F192-Y211 HydrophobicContact CB-CG 4.4Å; F192-Y211 AromaticContact CD1-CD1 3.28Å; F192-Y211 HydrophobicContact CD1-CD1 3.28Å; F192-Y211 AromaticContact CD1-CD2 4Å; F192-Y211 HydrophobicContact CD1-CD2 4Å; F192-Y211 AromaticContact CD1-CE1 3.66Å; F192-Y211 HydrophobicContact CD1-CE1 3.66Å; F192-Y211 HydrophobicContact CD1-CE2 4.35Å; F192-Y211 AromaticContact CD1-CG 3.48Å; F192-Y211 HydrophobicContact CD1-CG 3.48Å; F192-Y211 VanDerWaalsContact CD1-CG 3.48Å; F192-Y211 HydrophobicContact CD2-CD2 4.26Å; F192-Y211 HydrophobicContact CD2-CG 4.16Å; F192-Y211 AromaticContact CE1-CD1 3.48Å; F192-Y211 HydrophobicContact CE1-CD1 3.48Å; F192-Y211 VanDerWaalsContact CE1-CD1 3.48Å; F192-Y211 HydrophobicContact CE1-CE1 4.26Å; F192-Y211 AromaticContact CE1-CG 3.68Å; F192-Y211 HydrophobicContact CE1-CG 3.68Å; F192-Y211 HydrophobicContact CE2-CG 4.35Å; F192-Y211 AromaticContact CG-CD1 4Å; F192-Y211 HydrophobicContact CG-CD1 4Å; F192-Y211 AromaticContact CG-CD2 3.83Å; F192-Y211 HydrophobicContact CG-CD2 3.83Å; F192-Y211 HydrophobicContact CG-CE1 4.32Å; F192-Y211 HydrophobicContact CG-CE2 4.2Å; F192-Y211 AromaticContact CG-CG 3.75Å; F192-Y211 HydrophobicContact CG-CG 3.75Å; F192-Y211 HydrophobicContact CZ-CD1 4.32Å; F192-Y211 HydrophobicContact CZ-CG 4.11Å; F192-P214 HydrophobicContact CE1-CG 4.23Å; F192-P214 HydrophobicContact CE2-CG 4.45Å; F192-P214 HydrophobicContact CZ-CG 3.63Å
193	P	94.2	Very high	84.9	Confident	31 Å²	31	51.5 Å²	51.5	20%	0.201	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.3	147.5	-174.6	30.9	-34.6	0	0	0	111.5	S112 K181 E182 Y211	S112-P193 WeakPolarHBondContact CB-O 3.24Å; S112-P193 PolarHBondContact OG-O 3.01Å; K181-P193 VanDerWaalsContact CD-CA 3.48Å; K181-P193 HydrophobicContact CD-CB 3.82Å; E182-P193 WeakPolarHBondContact OE1-CA 3.22Å; P193-Y211 WeakPolarHBondContact CD-OH 3.49Å
194	K	93.5	Very high	84.2	Confident	20 Å²	20	49.7 Å²	49.7	9%	0.087	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-56.1	149.7	158.9	-71.4	-175.7	163.5	-117.1	0	109.9	D110 E182 Y203 E311	D110-K194 HydrophobicContact CB-CB 4.22Å; D110-K194 HydrophobicContact CB-CG 3.66Å; D110-K194 WeakPolarHBondContact OD2-CA 3.4Å; E182-K194 PolarHBondContact OE1-N 2.83Å; E182-K194 WeakPolarHBondContact OE2-CG 3.34Å; K194-Y203 HydrophobicContact CB-CD1 3.68Å; K194-Y203 HydrophobicContact CB-CD2 4.17Å; K194-Y203 HydrophobicContact CB-CE1 3.82Å; K194-Y203 HydrophobicContact CB-CE2 4.24Å; K194-Y203 HydrophobicContact CB-CG 3.88Å; K194-Y203 HydrophobicContact CD-CD1 4.27Å; K194-Y203 HydrophobicContact CD-CE1 3.51Å; K194-Y203 HydrophobicContact CD-CE2 4.01Å; K194-Y203 WeakPolarHBondContact CD-OH 3.46Å; K194-Y203 HydrophobicContact CG-CE1 4.3Å; K194-Y203 PolarHBondContact NZ-OH 3.46Å; K194-E311 IonicContact NZ-OE2 3.15Å; K194-E311 PolarHBondContact NZ-OE2 3.11Å; K194-E311 VanDerWaalsContact NZ-OE2 3.11Å
195	C	86.6	Confident	83.6	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.007	28%	0.275	C	S	.	.			trans	-144.8	147.3	-179.4	64.5	0	0	0	0	115.5	R52 D110 H197 P204 C206 N310	R52-C195 PolarHBondContact NH1-O 2.71Å; R52-C195 PolarHBondContact NH1-SG 3.36Å; R52-C195 VanDerWaalsContact NH1-SG 3.44Å; D110-C195 PolarHBondContact OD2-N 3.12Å; C195-H197 PolarHBondContact O-CD2 2.89Å; C195-H197 VanDerWaalsContact O-CD2 3.25Å; C195-H197 PolarHBondContact O-NE2 3.06Å; C195-P204 CarbonylContact C-O 3.54Å; C195-P204 WeakPolarHBondContact CA-O 3.45Å; C195-P204 WeakPolarHBondContact CB-O 3.21Å; C195-C206 HydrophobicContact CB-CB 3.65Å; C195-C206 WeakPolarHBondContact CB-SG 3.18Å; C195-C206 VanDerWaalsContact SG-CA 3.5Å; C195-C206 WeakPolarHBondContact SG-CB 3.47Å; C195-C206 CovalentContact SG-SG 2.04Å; C195-C206 PolarHBondContact SG-SG 3.21Å; C195-N310 PolarHBondContact O-ND2 3.27Å
196	E	75.4	Confident	82.9	Confident	14 Å²	14	46.3 Å²	46.3	7%	0.065	26%	0.257	C	S	.	.			trans	-66.3	154.8	-170.2	-77.6	-61.5	146.4	0	0	116.2	G201 K202 Y203 P204	E196-G201 VanDerWaalsContact OE1-CA 3.25Å; E196-G201 WeakPolarHBondContact OE1-CA 3.34Å; E196-G201 WeakPolarHBondContact OE2-CA 3.44Å; E196-K202 PolarHBondContact OE1-N 3.26Å; E196-Y203 VanDerWaalsContact CG-C 3.48Å; E196-Y203 WeakPolarHBondContact CG-O 3.14Å; E196-Y203 WeakPolarHBondContact OE1-CA 3.33Å; E196-Y203 VanDerWaalsContact OE1-CB 3.3Å; E196-Y203 WeakPolarHBondContact OE1-CB 3.28Å; E196-Y203 PolarHBondContact OE1-N 3.45Å; E196-P204 PolarHBondContact N-O 2.74Å
197	H	64.3	Low	82.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-124.3	-27.6	-179.7	-64.5	-107.4	0	0	0	114.4	N51 R52 C195 W309 N310 D312 W313	N51-H197 CarbonylContact C-O 3.47Å; N51-H197 WeakPolarHBondContact CA-O 3.42Å; N51-H197 WeakPolarHBondContact CB-O 3.4Å; N51-H197 VanDerWaalsContact CG-O 3.26Å; N51-H197 PolarHBondContact N-O 3.21Å; N51-H197 VanDerWaalsContact N-O 3.12Å; N51-H197 PolarHBondContact ND2-O 2.74Å; R52-H197 WeakPolarHBondContact CB-ND1 3.33Å; R52-H197 WeakPolarHBondContact CD-CE1 3.1Å; R52-H197 WeakPolarHBondContact CD-ND1 3.06Å; R52-H197 WeakPolarHBondContact CG-CE1 3.43Å; R52-H197 WeakPolarHBondContact CG-ND1 3.35Å; R52-H197 VanDerWaalsContact CZ-CE1 3.45Å; R52-H197 PolarHBondContact NE-CE1 2.9Å; R52-H197 PolarHBondContact NH1-CE1 3.39Å; R52-H197 PolarHBondContact NH1-NE2 2.94Å; C195-H197 PolarHBondContact O-CD2 2.89Å; C195-H197 VanDerWaalsContact O-CD2 3.25Å; C195-H197 PolarHBondContact O-NE2 3.06Å; H197-W309 PolarHBondContact CE1-O 2.96Å; H197-W309 PolarHBondContact NE2-O 3.49Å; H197-N310 PolarHBondContact CD2-ND2 2.89Å; H197-N310 PolarHBondContact CD2-OD1 3.29Å; H197-N310 PolarHBondContact NE2-ND2 2.96Å; H197-N310 PolarHBondContact NE2-OD1 3.02Å; H197-D312 HydrophobicContact CB-CB 4.02Å; H197-W313 AromaticContact ND1-CD1 3.91Å
198	H	53.6	Low	81.5	Confident	43 Å²	43	53.3 Å²	53.3	20%	0.199	31%	0.312	C	S	.	.	S	Bend	trans	-147.6	100.3	-171.5	-61.4	-76.2	0	0	0	110	E48 N51 D312	E48-H198 IonicContact OE1-CE1 3.43Å; E48-H198 PolarHBondContact OE1-CE1 2.76Å; E48-H198 IonicContact OE1-ND1 3.09Å; E48-H198 PolarHBondContact OE1-ND1 2.86Å; E48-H198 IonicContact OE1-NE2 3.55Å; N51-H198 WeakPolarHBondContact ND2-CA 2.94Å; N51-H198 PolarHBondContact ND2-ND1 2.96Å; N51-H198 VanDerWaalsContact ND2-ND1 3.18Å; H198-D312 PolarHBondContact CD2-O 3.39Å; H198-D312 PolarHBondContact NE2-O 2.83Å
199	T	58	Low	81	Confident	122 Å²	122	58.9 Å²	58.9	75%	0.748	34%	0.336	S	S	*	.	S	Bend	trans	66.6	-170.7	175.3	75.5	0	0	0	0	115.2	G201	T199-G201 VanDerWaalsContact C-N 3.26Å; T199-G201 PolarHBondContact O-N 2.81Å
200	K	60	Low	80.7	Confident	217 Å²	217	62.9 Å²	62.9	94%	0.943	35%	0.354	S	S	*	.	S	Bend	trans	-67.5	88.4	171.5	-76.4	-176.6	178.8	178.6	0	108.4
201	G	69.1	Low	80.5	Confident	43 Å²	43	64 Å²	64	44%	0.443	36%	0.359	S	S	.	.			trans	-93.1	-155.9	171.6	0	0	0	0	0	112.8	E196 T199	E196-G201 VanDerWaalsContact OE1-CA 3.25Å; E196-G201 WeakPolarHBondContact OE1-CA 3.34Å; E196-G201 WeakPolarHBondContact OE2-CA 3.44Å; T199-G201 VanDerWaalsContact C-N 3.26Å; T199-G201 PolarHBondContact O-N 2.81Å
202	K	80.1	Confident	80.5	Confident	126 Å²	126	68.4 Å²	68.4	55%	0.548	38%	0.38	S	S	.	.	S	Bend	trans	-83.2	-15.7	-174.1	61.6	-169.4	171.5	-165.7	0	114.1	E196 E311	E196-K202 PolarHBondContact OE1-N 3.26Å; K202-E311 WeakPolarHBondContact CE-OE1 3.45Å; K202-E311 VanDerWaalsContact NZ-CD 3.29Å; K202-E311 VanDerWaalsContact NZ-CG 3.32Å; K202-E311 IonicContact NZ-OE1 3.38Å; K202-E311 PolarHBondContact NZ-OE1 3.42Å
203	Y	81.4	Confident	80.6	Confident	43 Å²	43	70.1 Å²	70.1	17%	0.169	39%	0.392	C	S	.	.	S	Bend	trans	-108.1	164.2	-178.8	-55.1	-51.4	0	0	0	110.9	K194 E196 E311	K194-Y203 HydrophobicContact CB-CD1 3.68Å; K194-Y203 HydrophobicContact CB-CD2 4.17Å; K194-Y203 HydrophobicContact CB-CE1 3.82Å; K194-Y203 HydrophobicContact CB-CE2 4.24Å; K194-Y203 HydrophobicContact CB-CG 3.88Å; K194-Y203 HydrophobicContact CD-CD1 4.27Å; K194-Y203 HydrophobicContact CD-CE1 3.51Å; K194-Y203 HydrophobicContact CD-CE2 4.01Å; K194-Y203 WeakPolarHBondContact CD-OH 3.46Å; K194-Y203 HydrophobicContact CG-CE1 4.3Å; K194-Y203 PolarHBondContact NZ-OH 3.46Å; E196-Y203 VanDerWaalsContact CG-C 3.48Å; E196-Y203 WeakPolarHBondContact CG-O 3.14Å; E196-Y203 WeakPolarHBondContact OE1-CA 3.33Å; E196-Y203 VanDerWaalsContact OE1-CB 3.3Å; E196-Y203 WeakPolarHBondContact OE1-CB 3.28Å; E196-Y203 PolarHBondContact OE1-N 3.45Å; Y203-E311 PolarHBondContact OH-OE1 2.87Å
204	P	79.6	Confident	80.7	Confident	69 Å²	69	70.3 Å²	70.3	45%	0.448	39%	0.393	S	S	.	.			trans	-74.1	159.5	168.4	29.9	-35	0	0	0	111.3	C195 E196	C195-P204 CarbonylContact C-O 3.54Å; C195-P204 WeakPolarHBondContact CA-O 3.45Å; C195-P204 WeakPolarHBondContact CB-O 3.21Å; E196-P204 PolarHBondContact N-O 2.74Å
205	P	80.5	Confident	80.9	Confident	108 Å²	108	80 Å²	80	70%	0.701	43%	0.429	S	S	*	.			trans	-53.1	148.7	164.2	-22.6	33	0	0	0	110.8	G207	P205-G207 PolarHBondContact O-N 3.34Å
206	C	82.3	Confident	81.5	Confident	17 Å²	17	82.3 Å²	82.3	12%	0.115	45%	0.445	C	S	.	.			trans	-58.6	-21.7	179.9	-62.6	0	0	0	0	113	R113 C195	R113-C206 WeakPolarHBondContact CD-O 3.34Å; R113-C206 HydrophobicContact CG-CB 4Å; C195-C206 HydrophobicContact CB-CB 3.65Å; C195-C206 WeakPolarHBondContact CB-SG 3.18Å; C195-C206 VanDerWaalsContact SG-CA 3.5Å; C195-C206 WeakPolarHBondContact SG-CB 3.47Å; C195-C206 CovalentContact SG-SG 2.04Å; C195-C206 PolarHBondContact SG-SG 3.21Å
207	G	80.5	Confident	82.5	Confident	48 Å²	48	88.6 Å²	88.6	50%	0.495	47%	0.472	S	S	.	.			trans	68.6	-170.8	-178.8	0	0	0	0	0	111.5	R113 P205	R113-G207 VanDerWaalsContact CD-O 3.3Å; R113-G207 WeakPolarHBondContact CD-O 3.31Å; R113-G207 PolarHBondContact NE-O 3.15Å; R113-G207 PolarHBondContact NH1-O 3.48Å; P205-G207 PolarHBondContact O-N 3.34Å
208	S	85	Confident	84.1	Confident	109 Å²	109	94.4 Å²	94.4	76%	0.762	50%	0.499	S	S	*	.	S	Bend	trans	-100.8	-3.2	-179.2	54.8	0	0	0	0	113.5	I210	S208-I210 PolarHBondContact O-N 3.48Å
209	K	89.1	Confident	86.2	Confident	130 Å²	130	96.7 Å²	96.7	57%	0.565	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-68.3	124.6	-175.7	-175.2	169.9	178.7	178.2	0	110.6	R113 Y211	R113-K209 WeakPolarHBondContact CB-O 3.16Å; R113-K209 VanDerWaalsContact CD-O 3.22Å; R113-K209 WeakPolarHBondContact CD-O 3.44Å; R113-K209 PolarHBondContact NE-O 3.25Å; K209-Y211 HydrophobicContact CD-CD1 3.99Å; K209-Y211 HydrophobicContact CD-CE1 3.49Å; K209-Y211 VanDerWaalsContact CD-CE1 3.49Å; K209-Y211 HydrophobicContact CG-CD1 4.19Å; K209-Y211 HydrophobicContact CG-CE1 4Å
210	I	91.3	Very high	88.1	Confident	108 Å²	108	91.8 Å²	91.8	55%	0.554	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-91.6	119.9	168.5	-59.2	169.9	0	0	0	106.8	I61 S208	I61-I210 HydrophobicContact CD1-CG1 4.02Å; S208-I210 PolarHBondContact O-N 3.48Å
211	Y	94.5	Very high	89.9	Confident	35 Å²	35	84.1 Å²	84.1	14%	0.137	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-85.5	125.4	-177.9	-68.1	-70.1	0	0	0	111.1	S112 R113 C158 F192 P193 K209	S112-Y211 WeakPolarHBondContact OG-CE2 3.48Å; R113-Y211 HydrophobicContact CB-CD2 3.88Å; R113-Y211 HydrophobicContact CB-CE2 4.12Å; R113-Y211 PolarHBondContact O-N 3.44Å; C158-Y211 WeakPolarHBondContact CB-O 3.47Å; F192-Y211 HydrophobicContact CB-CD2 4.03Å; F192-Y211 HydrophobicContact CB-CE2 3.95Å; F192-Y211 HydrophobicContact CB-CG 4.4Å; F192-Y211 AromaticContact CD1-CD1 3.28Å; F192-Y211 HydrophobicContact CD1-CD1 3.28Å; F192-Y211 AromaticContact CD1-CD2 4Å; F192-Y211 HydrophobicContact CD1-CD2 4Å; F192-Y211 AromaticContact CD1-CE1 3.66Å; F192-Y211 HydrophobicContact CD1-CE1 3.66Å; F192-Y211 HydrophobicContact CD1-CE2 4.35Å; F192-Y211 AromaticContact CD1-CG 3.48Å; F192-Y211 HydrophobicContact CD1-CG 3.48Å; F192-Y211 VanDerWaalsContact CD1-CG 3.48Å; F192-Y211 HydrophobicContact CD2-CD2 4.26Å; F192-Y211 HydrophobicContact CD2-CG 4.16Å; F192-Y211 AromaticContact CE1-CD1 3.48Å; F192-Y211 HydrophobicContact CE1-CD1 3.48Å; F192-Y211 VanDerWaalsContact CE1-CD1 3.48Å; F192-Y211 HydrophobicContact CE1-CE1 4.26Å; F192-Y211 AromaticContact CE1-CG 3.68Å; F192-Y211 HydrophobicContact CE1-CG 3.68Å; F192-Y211 HydrophobicContact CE2-CG 4.35Å; F192-Y211 AromaticContact CG-CD1 4Å; F192-Y211 HydrophobicContact CG-CD1 4Å; F192-Y211 AromaticContact CG-CD2 3.83Å; F192-Y211 HydrophobicContact CG-CD2 3.83Å; F192-Y211 HydrophobicContact CG-CE1 4.32Å; F192-Y211 HydrophobicContact CG-CE2 4.2Å; F192-Y211 AromaticContact CG-CG 3.75Å; F192-Y211 HydrophobicContact CG-CG 3.75Å; F192-Y211 HydrophobicContact CZ-CD1 4.32Å; F192-Y211 HydrophobicContact CZ-CG 4.11Å; P193-Y211 WeakPolarHBondContact CD-OH 3.49Å; K209-Y211 HydrophobicContact CD-CD1 3.99Å; K209-Y211 HydrophobicContact CD-CE1 3.49Å; K209-Y211 VanDerWaalsContact CD-CE1 3.49Å; K209-Y211 HydrophobicContact CG-CD1 4.19Å; K209-Y211 HydrophobicContact CG-CE1 4Å
212	N	96.1	Very high	91.2	Very high	135 Å²	135	93.5 Å²	93.5	72%	0.722	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-77.6	152.5	169.9	-63.7	-23.5	0	0	0	110.7	P214	N212-P214 WeakPolarHBondContact O-CD 3.47Å
213	T	97.5	Very high	91.9	Very high	53 Å²	53	96.2 Å²	96.2	33%	0.325	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-54.5	119.4	171.9	-54.5	0	0	0	0	110.2	L148 T149 L156 G157 C158	L148-T213 HydrophobicContact CD1-CG2 3.93Å; T149-T213 HydrophobicContact CG2-CG2 4.44Å; L156-T213 PolarHBondContact O-OG1 2.91Å; G157-T213 WeakPolarHBondContact CA-OG1 3.37Å; C158-T213 PolarHBondContact N-OG1 3.31Å
214	P	97.1	Very high	92.7	Very high	34 Å²	34	97.4 Å²	97.4	22%	0.221	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-65.5	164.2	175.7	-16	28.8	0	0	0	111.3	V145 T149 P191 F192 N212	V145-P214 HydrophobicContact CG2-CG 4.28Å; T149-P214 HydrophobicContact CG2-CB 3.87Å; T149-P214 HydrophobicContact CG2-CG 4.07Å; T149-P214 WeakPolarHBondContact CG2-O 3.42Å; P191-P214 HydrophobicContact CG-CG 3.98Å; F192-P214 HydrophobicContact CE1-CG 4.23Å; F192-P214 HydrophobicContact CE2-CG 4.45Å; F192-P214 HydrophobicContact CZ-CG 3.63Å; N212-P214 WeakPolarHBondContact O-CD 3.47Å
215	R	97.6	Very high	93.6	Very high	224 Å²	224	103.6 Å²	103.6	85%	0.845	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-70.3	141.2	171.2	-64.2	-177.1	179.1	179.1	-1.2	110.4	K217	R215-K217 PolarHBondContact O-N 2.91Å
216	C	98.2	Very high	94.4	Very high	50 Å²	50	100.9 Å²	100.9	34%	0.338	49%	0.494	S	S	.	.			trans	-59.9	115.2	165.9	178.3	0	0	0	0	109.2	T149 C150 Q218	T149-C216 WeakPolarHBondContact O-CB 3.45Å; C150-C216 HydrophobicContact CB-CB 4Å; C150-C216 WeakPolarHBondContact CB-SG 3.17Å; C150-C216 WeakPolarHBondContact SG-CB 3.18Å; C150-C216 CovalentContact SG-SG 2.04Å; C150-C216 PolarHBondContact SG-SG 3.39Å; C216-Q218 VanDerWaalsContact SG-CG 3.51Å
217	K	97.1	Very high	95.1	Very high	146 Å²	146	103.1 Å²	103.1	64%	0.635	51%	0.509	S	S	*	.			trans	-89.2	-33.4	-173.2	-69.9	-178.7	-177.7	173	0	113.3	R215 T219	R215-K217 PolarHBondContact O-N 2.91Å; K217-T219 PolarHBondContact O-N 3.24Å; K217-T219 VanDerWaalsContact O-N 3.15Å; K217-T219 PolarHBondContact O-OG1 2.86Å
218	Q	97.5	Very high	96	Very high	123 Å²	123	101.9 Å²	101.9	58%	0.575	49%	0.489	S	S	*	.			trans	49.6	36.4	-172.4	-56.6	-174.3	-31.2	0	0	112.8	C216 Y228	C216-Q218 VanDerWaalsContact SG-CG 3.51Å; Q218-Y228 VanDerWaalsContact C-CG 3.44Å; Q218-Y228 HydrophobicContact CB-CD1 4.07Å; Q218-Y228 HydrophobicContact CB-CE1 3.81Å; Q218-Y228 HydrophobicContact CG-CE1 4.03Å
219	T	98	Very high	96.6	Very high	91 Å²	91	101.9 Å²	101.9	56%	0.558	49%	0.485	S	S	*	.			trans	-154.4	124.6	-174.7	-62.1	0	0	0	0	110	E188 K217	E188-T219 PolarHBondContact OE1-N 2.81Å; E188-T219 VanDerWaalsContact OE1-N 3.12Å; K217-T219 PolarHBondContact O-N 3.24Å; K217-T219 VanDerWaalsContact O-N 3.15Å; K217-T219 PolarHBondContact O-OG1 2.86Å
220	C	98.3	Very high	97.1	Very high	19 Å²	19	102.6 Å²	102.6	13%	0.128	49%	0.49	C	S	.	.			trans	-68.2	156.7	177	-54.5	0	0	0	0	112.9	C187 Y224 T226 Y228	C187-C220 HydrophobicContact CB-CB 3.83Å; C187-C220 WeakPolarHBondContact CB-SG 3.46Å; C187-C220 CarbonylContact O-C 3.5Å; C187-C220 VanDerWaalsContact O-CA 3.27Å; C187-C220 WeakPolarHBondContact O-CA 3.34Å; C187-C220 WeakPolarHBondContact SG-CA 3.46Å; C187-C220 WeakPolarHBondContact SG-CB 3.42Å; C187-C220 CovalentContact SG-SG 2.03Å; C187-C220 PolarHBondContact SG-SG 2.81Å; C220-Y224 HydrophobicContact CB-CD1 3.97Å; C220-T226 PolarHBondContact SG-O 2.95Å; C220-T226 VanDerWaalsContact SG-O 3.37Å; C220-Y228 VanDerWaalsContact SG-CA 3.51Å
221	Q	97.8	Very high	97.4	Very high	55 Å²	55	97.9 Å²	97.9	26%	0.257	47%	0.466	S	S	.	.			trans	-57.3	143.7	170.8	62.1	171.1	-29.9	0	0	111.6	H184 G186 C187 P189 K223 Y224	H184-Q221 PolarHBondContact O-NE2 2.9Å; G186-Q221 PolarHBondContact O-NE2 3.49Å; C187-Q221 PolarHBondContact O-N 2.79Å; P189-Q221 VanDerWaalsContact CG-NE2 3.35Å; Q221-K223 PolarHBondContact O-N 3.44Å; Q221-Y224 WeakPolarHBondContact O-CB 3.2Å; Q221-Y224 PolarHBondContact O-N 2.94Å
222	R	96	Very high	97.6	Very high	241 Å²	241	98.2 Å²	98.2	91%	0.909	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.6	-170.5	-170.1	178.5	71	166.8	1.4	115.5	Y224	R222-Y224 VanDerWaalsContact C-N 3.34Å
223	K	95.5	Very high	97.7	Very high	182 Å²	182	93.8 Å²	93.8	79%	0.791	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.5	-178.5	-68.9	-176.4	178.4	179.3	0	113.4	Q221	Q221-K223 PolarHBondContact O-N 3.44Å
224	Y	97.6	Very high	97.8	Very high	68 Å²	68	98.3 Å²	98.3	27%	0.267	45%	0.454	S	S	.	.			trans	-87.1	126	-178.5	-163	-108.1	0	0	0	110.2	T177 G186 C187 C220 Q221 R222 T226 D231	T177-Y224 PolarHBondContact OG1-OH 3.2Å; G186-Y224 VanDerWaalsContact C-CD2 3.47Å; G186-Y224 WeakPolarHBondContact O-CD2 3.38Å; C187-Y224 HydrophobicContact CB-CD1 3.86Å; C187-Y224 HydrophobicContact CB-CE1 3.83Å; C220-Y224 HydrophobicContact CB-CD1 3.97Å; Q221-Y224 WeakPolarHBondContact O-CB 3.2Å; Q221-Y224 PolarHBondContact O-N 2.94Å; R222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-T226 WeakPolarHBondContact CD1-O 3.28Å; Y224-D231 HydrophobicContact CE1-CB 4.27Å; Y224-D231 PolarHBondContact OH-OD1 3.43Å
225	K	97.3	Very high	97.9	Very high	199 Å²	199	97 Å²	97	87%	0.865	45%	0.448	S	S	*	.			trans	-84.8	-29.8	-168.3	-65.4	-178.5	-179.9	179.2	0	113.8	P227	K225-P227 WeakPolarHBondContact O-CD 3.31Å
226	T	98.1	Very high	97.9	Very high	51 Å²	51	92.8 Å²	92.8	31%	0.313	44%	0.435	S	S	.	.	S	Bend	trans	-75	125.6	-178.9	-48.7	0	0	0	0	109.2	C220 Y224 Q230 D231	C220-T226 PolarHBondContact SG-O 2.95Å; C220-T226 VanDerWaalsContact SG-O 3.37Å; Y224-T226 WeakPolarHBondContact CD1-O 3.28Å; T226-Q230 HydrophobicContact CG2-CB 3.81Å; T226-D231 HydrophobicContact CG2-CB 4.01Å
227	P	98.2	Very high	97.9	Very high	64 Å²	64	92.3 Å²	92.3	42%	0.416	43%	0.433	S	S	.	.			trans	-58.3	148.4	174.9	-24.9	34.5	0	0	0	112.5	K225 T229 Q230 D231	K225-P227 WeakPolarHBondContact O-CD 3.31Å; P227-T229 VanDerWaalsContact C-N 3.3Å; P227-T229 PolarHBondContact O-N 2.82Å; P227-Q230 HydrophobicContact CB-CB 4.44Å; P227-Q230 HydrophobicContact CB-CG 4.32Å; P227-Q230 HydrophobicContact CG-CG 4.4Å; P227-Q230 WeakPolarHBondContact O-CA 3.46Å; P227-Q230 PolarHBondContact O-N 3.43Å; P227-D231 PolarHBondContact O-N 3Å
228	Y	98.6	Very high	98	Very high	22 Å²	22	86.2 Å²	86.2	9%	0.086	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-49.3	-47.3	-177.5	174	-92.6	0	0	0	113.1	D146 V176 E188 Q218 C220 Q230 D231 K232	D146-Y228 PolarHBondContact OD1-OH 3.13Å; V176-Y228 HydrophobicContact CG1-CD2 3.63Å; V176-Y228 HydrophobicContact CG1-CE2 3.58Å; V176-Y228 HydrophobicContact CG1-CG 4.23Å; V176-Y228 WeakPolarHBondContact CG1-O 3.42Å; V176-Y228 HydrophobicContact CG2-CD2 4.43Å; V176-Y228 HydrophobicContact CG2-CE2 4.16Å; E188-Y228 WeakPolarHBondContact OE1-CD2 3.5Å; E188-Y228 WeakPolarHBondContact OE1-CE2 3.44Å; Q218-Y228 VanDerWaalsContact C-CG 3.44Å; Q218-Y228 HydrophobicContact CB-CD1 4.07Å; Q218-Y228 HydrophobicContact CB-CE1 3.81Å; Q218-Y228 HydrophobicContact CG-CE1 4.03Å; C220-Y228 VanDerWaalsContact SG-CA 3.51Å; Y228-Q230 VanDerWaalsContact C-N 3.29Å; Y228-Q230 PolarHBondContact O-N 2.94Å; Y228-D231 PolarHBondContact O-N 3.27Å; Y228-K232 VanDerWaalsContact CE1-CE 3.47Å; Y228-K232 WeakPolarHBondContact OH-CE 3.3Å; Y228-K232 PolarHBondContact OH-NZ 2.97Å
229	T	98.1	Very high	98.1	Very high	110 Å²	110	80.8 Å²	80.8	68%	0.675	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-69	-25.4	-179.4	51.9	0	0	0	0	113.6	P227	P227-T229 VanDerWaalsContact C-N 3.3Å; P227-T229 PolarHBondContact O-N 2.82Å
230	Q	98.3	Very high	98.1	Very high	145 Å²	145	76.6 Å²	76.6	68%	0.678	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-85.5	-19.2	177	-66.2	-177.5	9.3	0	0	112.7	T226 P227 Y228 K232	T226-Q230 HydrophobicContact CG2-CB 3.81Å; P227-Q230 HydrophobicContact CB-CB 4.44Å; P227-Q230 HydrophobicContact CB-CG 4.32Å; P227-Q230 HydrophobicContact CG-CG 4.4Å; P227-Q230 WeakPolarHBondContact O-CA 3.46Å; P227-Q230 PolarHBondContact O-N 3.43Å; Y228-Q230 VanDerWaalsContact C-N 3.29Å; Y228-Q230 PolarHBondContact O-N 2.94Å; Q230-K232 VanDerWaalsContact C-N 3.34Å
231	D	98.6	Very high	98.2	Very high	8 Å²	8	75.8 Å²	75.8	4%	0.043	35%	0.351	C	S	.	.	S	Bend	trans	-88.5	0.2	177.8	-161.6	51	0	0	0	113.3	V176 T177 C187 Y224 T226 P227 Y228 H233	V176-D231 WeakPolarHBondContact CA-O 3.39Å; V176-D231 HydrophobicContact CB-CB 4.31Å; V176-D231 HydrophobicContact CG1-CB 4.27Å; T177-D231 WeakPolarHBondContact CB-OD2 3.48Å; T177-D231 WeakPolarHBondContact CG2-OD2 3.37Å; T177-D231 PolarHBondContact N-OD2 3.02Å; T177-D231 PolarHBondContact OG1-OD2 3.26Å; C187-D231 HydrophobicContact CB-CB 4.38Å; C187-D231 WeakPolarHBondContact CB-OD2 3.36Å; Y224-D231 HydrophobicContact CE1-CB 4.27Å; Y224-D231 PolarHBondContact OH-OD1 3.43Å; T226-D231 HydrophobicContact CG2-CB 4.01Å; P227-D231 PolarHBondContact O-N 3Å; Y228-D231 PolarHBondContact O-N 3.27Å; D231-H233 PolarHBondContact O-CE1 3.3Å; D231-H233 PolarHBondContact O-N 3.05Å; D231-H233 PolarHBondContact O-ND1 2.84Å; D231-H233 IonicContact OD1-CE1 2.88Å
232	K	98.6	Very high	98.2	Very high	43 Å²	43	77.5 Å²	77.5	19%	0.187	36%	0.358	C	S	.	.			trans	-69.1	117.1	179.2	-76.1	-71	-172.9	177.9	0	111.6	D146 G174 V176 Y228 Q230	D146-K232 VanDerWaalsContact CG-NZ 3.33Å; D146-K232 IonicContact OD1-NZ 2.72Å; D146-K232 PolarHBondContact OD1-NZ 3.26Å; D146-K232 VanDerWaalsContact OD1-NZ 3.15Å; D146-K232 IonicContact OD2-NZ 3.18Å; D146-K232 PolarHBondContact OD2-NZ 2.69Å; G174-K232 VanDerWaalsContact C-CD 3.47Å; G174-K232 WeakPolarHBondContact O-CD 3.49Å; G174-K232 PolarHBondContact O-NZ 2.73Å; V176-K232 HydrophobicContact CG1-CD 3.72Å; V176-K232 HydrophobicContact CG1-CG 4.06Å; Y228-K232 VanDerWaalsContact CE1-CE 3.47Å; Y228-K232 WeakPolarHBondContact OH-CE 3.3Å; Y228-K232 PolarHBondContact OH-NZ 2.97Å; Q230-K232 VanDerWaalsContact C-N 3.34Å
233	H	98.7	Very high	98.3	Very high	42 Å²	42	69.6 Å²	69.6	19%	0.194	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-98.7	121.3	172.7	-66.9	69.4	0	0	0	109.4	L142 W170 G174 I175 D231	L142-H233 HydrophobicContact CD2-CB 3.73Å; W170-H233 PolarHBondContact NE1-O 3.38Å; W170-H233 VanDerWaalsContact NE1-O 3.13Å; G174-H233 CarbonylContact C-O 3.59Å; G174-H233 WeakPolarHBondContact CA-O 3.34Å; I175-H233 PolarHBondContact N-O 2.87Å; I175-H233 PolarHBondContact O-N 2.57Å; D231-H233 PolarHBondContact O-CE1 3.3Å; D231-H233 PolarHBondContact O-N 3.05Å; D231-H233 PolarHBondContact O-ND1 2.84Å; D231-H233 IonicContact OD1-CE1 2.88Å
234	R	98.7	Very high	98.5	Very high	147 Å²	147	63.6 Å²	63.6	56%	0.555	31%	0.31	S	S	*	.			trans	-109.6	140.6	-174.2	-66.6	177.7	71.2	159.3	0.6	111.9	W170 V171 K172	W170-R234 WeakPolarHBondContact O-CA 2.9Å; V171-R234 PolarHBondContact O-NE 3.24Å; V171-R234 VanDerWaalsContact O-NE 3.09Å; V171-R234 PolarHBondContact O-NH2 2.88Å; K172-R234 VanDerWaalsContact C-NH2 3.3Å; K172-R234 PolarHBondContact O-NH2 2.96Å
235	G	98.6	Very high	98.5	Very high	8 Å²	8	63.1 Å²	63.1	8%	0.082	31%	0.31	C	S	.	.			trans	-73.9	161.6	162.8	0	0	0	0	0	110.9	W170 V171	W170-G235 VanDerWaalsContact CE2-CA 3.48Å; W170-G235 VanDerWaalsContact CZ2-CA 3.48Å; W170-G235 PolarHBondContact O-N 3.2Å; V171-G235 WeakPolarHBondContact CA-O 3.43Å
236	K	98.7	Very high	98.6	Very high	134 Å²	134	59.8 Å²	59.8	58%	0.583	30%	0.296	S	S	*	.	S	Bend	trans	-97.5	-32.8	171.3	-172.9	178.6	175.8	-174.4	0	112.2	R338 N340	K236-R338 WeakPolarHBondContact CA-O 3.37Å; K236-R338 WeakPolarHBondContact CB-O 3.44Å; K236-R338 PolarHBondContact N-O 3.36Å; K236-N340 VanDerWaalsContact CD-OXT 3.26Å; K236-N340 WeakPolarHBondContact CD-OXT 3.38Å; K236-N340 WeakPolarHBondContact CE-OXT 3.3Å; K236-N340 PolarHBondContact NZ-OXT 2.91Å
237	S	98.7	Very high	98.6	Very high	41 Å²	41	57.4 Å²	57.4	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	146.2	178.5	62.6	0	0	0	0	111.7	G337 R338	S237-G337 CarbonylContact O-C 3.44Å; S237-G337 WeakPolarHBondContact O-CA 3.44Å; S237-R338 PolarHBondContact N-O 3.33Å; S237-R338 PolarHBondContact O-N 3.22Å
238	S	98.8	Very high	98.7	Very high	17 Å²	17	54.3 Å²	54.3	12%	0.119	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.5	166.7	56	0	0	0	0	109.1	D168	D168-S238 WeakPolarHBondContact OD1-CB 3.49Å; D168-S238 PolarHBondContact OD1-OG 2.96Å
239	Y	98.9	Very high	98.7	Very high	10 Å²	10	53.9 Å²	53.9	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	148.5	-179.4	48.8	-99.8	0	0	0	111.9	P78 V80 R129 E251 I335 A336 R338	P78-Y239 WeakPolarHBondContact O-CA 3.3Å; P78-Y239 WeakPolarHBondContact O-CB 3.21Å; V80-Y239 HydrophobicContact CB-CD2 4.34Å; V80-Y239 HydrophobicContact CG1-CD2 3.81Å; V80-Y239 HydrophobicContact CG1-CE2 4.32Å; V80-Y239 HydrophobicContact CG1-CG 3.97Å; V80-Y239 HydrophobicContact CG2-CD2 3.55Å; V80-Y239 HydrophobicContact CG2-CE2 3.73Å; R129-Y239 PolarHBondContact NH1-OH 3.13Å; Y239-E251 PolarHBondContact OH-OE1 2.77Å; Y239-I335 WeakPolarHBondContact O-CG1 3.43Å; Y239-A336 HydrophobicContact CD2-CB 4.44Å; Y239-A336 HydrophobicContact CE2-CB 3.81Å; Y239-A336 PolarHBondContact N-O 3.15Å; Y239-A336 PolarHBondContact O-N 2.93Å; Y239-A336 VanDerWaalsContact O-N 3.08Å; Y239-R338 HydrophobicContact CE1-CG 3.98Å; Y239-R338 WeakPolarHBondContact OH-CG 3.39Å
240	N	98.8	Very high	98.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.011	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	150.5	169.7	-52.7	-50.1	0	0	0	109	R73 R77 P78 T79 V80	R73-N240 VanDerWaalsContact CZ-OD1 3.22Å; R73-N240 PolarHBondContact NH1-OD1 3.01Å; R73-N240 PolarHBondContact O-ND2 2.87Å; R77-N240 WeakPolarHBondContact CD-OD1 3.33Å; R77-N240 WeakPolarHBondContact CG-ND2 3.49Å; R77-N240 PolarHBondContact NE-OD1 3.45Å; P78-N240 PolarHBondContact O-N 3.02Å; T79-N240 CarbonylContact C-O 3.56Å; T79-N240 WeakPolarHBondContact CA-O 3.35Å; T79-N240 HydrophobicContact CG2-CB 4.19Å; T79-N240 PolarHBondContact OG1-ND2 3.06Å; V80-N240 PolarHBondContact N-O 2.92Å
241	V	98.8	Very high	98.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.2	163.6	-172.8	0	0	0	0	107.5	V80 A247 I248 E251 V334	V80-V241 HydrophobicContact CG2-CG2 4.2Å; V241-A247 HydrophobicContact CG1-CB 4.16Å; V241-I248 HydrophobicContact CG1-CG1 3.84Å; V241-E251 HydrophobicContact CG1-CB 4.35Å; V241-E251 HydrophobicContact CG2-CB 4.28Å; V241-E251 HydrophobicContact CG2-CG 3.86Å; V241-V334 HydrophobicContact CB-CB 4Å; V241-V334 HydrophobicContact CB-CG1 3.79Å; V241-V334 HydrophobicContact CG2-CB 4.49Å; V241-V334 HydrophobicContact CG2-CG1 3.8Å; V241-V334 PolarHBondContact N-O 3.42Å
242	K	98.6	Very high	98.7	Very high	91 Å²	91	42.2 Å²	42.2	40%	0.396	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-56.2	141.5	177	-174.1	177.1	177.7	-177	0	109.9	T79 V80 D81 D244 A247	T79-K242 HydrophobicContact CG2-CB 4.03Å; V80-K242 PolarHBondContact O-N 3.4Å; D81-K242 HydrophobicContact CB-CB 4.13Å; D81-K242 HydrophobicContact CB-CD 3.76Å; K242-D244 HydrophobicContact CB-CB 4.47Å; K242-D244 HydrophobicContact CD-CB 4.24Å; K242-D244 HydrophobicContact CG-CB 4.11Å; K242-D244 PolarHBondContact O-N 3.07Å; K242-A247 HydrophobicContact CB-CB 4.26Å
243	N	98.6	Very high	98.7	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	19%	0.191	S	C	.	.	S	Bend	trans	-68.1	78	168.6	-174.3	-2.2	0	0	0	108.9	D326 E331 S332	N243-D326 PolarHBondContact ND2-OD2 3.26Å; N243-E331 WeakPolarHBondContact CA-O 3.16Å; N243-E331 VanDerWaalsContact OD1-CB 3.23Å; N243-E331 WeakPolarHBondContact OD1-CB 3.32Å; N243-E331 PolarHBondContact OD1-O 2.78Å; N243-S332 PolarHBondContact ND2-OG 3.02Å
244	D	98.6	Very high	98.7	Very high	56 Å²	56	42.7 Å²	42.7	30%	0.299	20%	0.199	S	C	.	.			trans	-153.5	123.3	-179.6	173.3	78.2	0	0	0	107.6	K242 K246 A247 I248	K242-D244 HydrophobicContact CB-CB 4.47Å; K242-D244 HydrophobicContact CD-CB 4.24Å; K242-D244 HydrophobicContact CG-CB 4.11Å; K242-D244 PolarHBondContact O-N 3.07Å; D244-K246 VanDerWaalsContact C-N 3.25Å; D244-K246 PolarHBondContact O-N 3.33Å; D244-K246 WeakPolarHBondContact OD2-CB 3.48Å; D244-K246 PolarHBondContact OD2-N 2.92Å; D244-A247 HydrophobicContact CB-CB 3.91Å; D244-A247 WeakPolarHBondContact O-CB 3.25Å; D244-A247 PolarHBondContact O-N 2.96Å; D244-A247 VanDerWaalsContact O-N 3.14Å; D244-A247 PolarHBondContact OD2-N 2.96Å; D244-I248 WeakPolarHBondContact O-CG1 3.44Å; D244-I248 PolarHBondContact O-N 2.87Å; D244-I248 VanDerWaalsContact O-N 3.07Å
245	E	98.7	Very high	98.7	Very high	57 Å²	57	37.4 Å²	37.4	27%	0.266	18%	0.179	S	C	.	.	H	α-helix	trans	-52.9	-44.5	-176.5	-174.1	-167.7	151.8	0	0	112.1	I248 Q249 W303 R323 G324	E245-I248 PolarHBondContact O-N 3.39Å; E245-Q249 VanDerWaalsContact O-CG 3.32Å; E245-Q249 WeakPolarHBondContact O-CG 3.41Å; E245-Q249 PolarHBondContact O-N 2.74Å; E245-W303 HydrophobicContact CG-CH2 4.44Å; E245-W303 HydrophobicContact CG-CZ2 4.12Å; E245-R323 HydrophobicContact CG-CG 3.75Å; E245-R323 IonicContact OE1-CZ 2.81Å; E245-R323 IonicContact OE1-NH1 3.51Å; E245-R323 PolarHBondContact OE1-NH1 2.9Å; E245-G324 WeakPolarHBondContact OE2-CA 3.24Å
246	K	98.7	Very high	98.8	Very high	129 Å²	129	37 Å²	37	56%	0.561	18%	0.175	S	C	*	.	H	α-helix	trans	-69.9	-39.4	-177.8	-66.1	176.9	-178.9	164.5	0	111.4	I89 D244 I248 Q249 K250	I89-K246 HydrophobicContact CD1-CB 3.94Å; I89-K246 HydrophobicContact CD1-CG 4.08Å; D244-K246 VanDerWaalsContact C-N 3.25Å; D244-K246 PolarHBondContact O-N 3.33Å; D244-K246 WeakPolarHBondContact OD2-CB 3.48Å; D244-K246 PolarHBondContact OD2-N 2.92Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3.35Å; K246-Q249 PolarHBondContact O-N 3.29Å; K246-K250 WeakPolarHBondContact O-CB 3.48Å; K246-K250 VanDerWaalsContact O-CG 3.26Å; K246-K250 WeakPolarHBondContact O-CG 3.16Å; K246-K250 PolarHBondContact O-N 2.93Å
247	A	98.8	Very high	98.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-45	175.2	0	0	0	0	0	111.1	D81 V241 K242 D244 K250 E251	D81-A247 VanDerWaalsContact O-CB 3.31Å; D81-A247 WeakPolarHBondContact O-CB 3.36Å; V241-A247 HydrophobicContact CG1-CB 4.16Å; K242-A247 HydrophobicContact CB-CB 4.26Å; D244-A247 HydrophobicContact CB-CB 3.91Å; D244-A247 WeakPolarHBondContact O-CB 3.25Å; D244-A247 PolarHBondContact O-N 2.96Å; D244-A247 VanDerWaalsContact O-N 3.14Å; D244-A247 PolarHBondContact OD2-N 2.96Å; A247-K250 PolarHBondContact O-N 3.11Å; A247-E251 WeakPolarHBondContact O-CB 3.39Å; A247-E251 PolarHBondContact O-N 3.28Å
248	I	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-45.4	178.1	-61.6	161.5	0	0	0	110.8	V241 D244 E245 K246 K250 E251 I252 W303 E331 V334	V241-I248 HydrophobicContact CG1-CG1 3.84Å; D244-I248 WeakPolarHBondContact O-CG1 3.44Å; D244-I248 PolarHBondContact O-N 2.87Å; D244-I248 VanDerWaalsContact O-N 3.07Å; E245-I248 PolarHBondContact O-N 3.39Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3.35Å; I248-K250 PolarHBondContact O-N 3.36Å; I248-E251 PolarHBondContact O-N 3.19Å; I248-I252 HydrophobicContact CG2-CD1 3.79Å; I248-I252 WeakPolarHBondContact O-CG1 3.46Å; I248-I252 PolarHBondContact O-N 2.87Å; I248-W303 HydrophobicContact CB-CH2 3.76Å; I248-W303 HydrophobicContact CB-CZ2 4.13Å; I248-W303 HydrophobicContact CD1-CZ2 4.37Å; I248-W303 HydrophobicContact CG2-CH2 3.44Å; I248-W303 VanDerWaalsContact CG2-CH2 3.44Å; I248-W303 HydrophobicContact CG2-CZ2 3.89Å; I248-W303 HydrophobicContact CG2-CZ3 3.91Å; I248-E331 HydrophobicContact CD1-CB 3.73Å; I248-E331 HydrophobicContact CD1-CG 3.7Å; I248-V334 HydrophobicContact CD1-CG2 3.68Å; I248-V334 HydrophobicContact CG1-CB 4.33Å; I248-V334 HydrophobicContact CG1-CG1 4.37Å; I248-V334 HydrophobicContact CG1-CG2 3.97Å; I248-V334 HydrophobicContact CG2-CG1 4.45Å; I248-V334 HydrophobicContact CG2-CG2 4.5Å
249	Q	98.9	Very high	98.8	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-48.2	175.5	-73.6	175.2	-45.8	0	0	111.8	I89 E245 K246 E251 I252 M253 W294 W303	I89-Q249 HydrophobicContact CD1-CB 4.13Å; I89-Q249 HydrophobicContact CG2-CB 3.8Å; I89-Q249 HydrophobicContact CG2-CG 4.21Å; E245-Q249 VanDerWaalsContact O-CG 3.32Å; E245-Q249 WeakPolarHBondContact O-CG 3.41Å; E245-Q249 PolarHBondContact O-N 2.74Å; K246-Q249 PolarHBondContact O-N 3.29Å; Q249-E251 PolarHBondContact O-N 3.35Å; Q249-I252 PolarHBondContact O-N 3.39Å; Q249-M253 WeakPolarHBondContact O-CG 3.37Å; Q249-M253 PolarHBondContact O-N 2.88Å; Q249-W294 HydrophobicContact CB-CD2 4.49Å; Q249-W294 HydrophobicContact CB-CE3 4.34Å; Q249-W294 HydrophobicContact CB-CH2 3.7Å; Q249-W294 HydrophobicContact CB-CZ2 3.93Å; Q249-W294 HydrophobicContact CB-CZ3 3.97Å; Q249-W294 HydrophobicContact CG-CD2 3.82Å; Q249-W294 HydrophobicContact CG-CE3 3.96Å; Q249-W294 HydrophobicContact CG-CG 4.37Å; Q249-W294 HydrophobicContact CG-CH2 4.1Å; Q249-W294 HydrophobicContact CG-CZ2 4.03Å; Q249-W294 HydrophobicContact CG-CZ3 4.1Å; Q249-W294 WeakPolarHBondContact O-CH2 3.23Å; Q249-W294 WeakPolarHBondContact O-CZ3 3.44Å; Q249-W303 HydrophobicContact CG-CH2 3.65Å; Q249-W303 HydrophobicContact CG-CZ3 3.88Å
250	K	98.9	Very high	98.8	Very high	19 Å²	19	27.4 Å²	27.4	8%	0.083	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-46.5	177.2	-75.7	179.3	-172.9	-172.6	0	111.4	H82 W85 V87 I89 K246 A247 I248 I252 M253 K254	H82-K250 HydrophobicContact CB-CB 3.91Å; H82-K250 HydrophobicContact CB-CD 3.64Å; H82-K250 HydrophobicContact CB-CG 4.43Å; H82-K250 PolarHBondContact O-NZ 3.3Å; W85-K250 HydrophobicContact CE3-CB 3.93Å; W85-K250 HydrophobicContact CE3-CD 4.17Å; W85-K250 HydrophobicContact CE3-CG 4.06Å; W85-K250 HydrophobicContact CZ3-CB 3.74Å; W85-K250 HydrophobicContact CZ3-CG 4.05Å; W85-K250 WeakPolarHBondContact CZ3-O 3.22Å; W85-K250 WeakPolarHBondContact O-CE 3.23Å; W85-K250 PolarHBondContact O-NZ 2.71Å; V87-K250 HydrophobicContact CG1-CD 4.34Å; V87-K250 HydrophobicContact CG1-CG 4.1Å; I89-K250 HydrophobicContact CD1-CG 3.98Å; I89-K250 HydrophobicContact CG1-CG 4.34Å; K246-K250 WeakPolarHBondContact O-CB 3.48Å; K246-K250 VanDerWaalsContact O-CG 3.26Å; K246-K250 WeakPolarHBondContact O-CG 3.16Å; K246-K250 PolarHBondContact O-N 2.93Å; A247-K250 PolarHBondContact O-N 3.11Å; I248-K250 PolarHBondContact O-N 3.36Å; K250-I252 PolarHBondContact O-N 2.94Å; K250-M253 HydrophobicContact CG-CE 4.16Å; K250-K254 VanDerWaalsContact O-CB 3.26Å; K250-K254 WeakPolarHBondContact O-CB 3.22Å; K250-K254 PolarHBondContact O-N 3.24Å
251	E	98.9	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.5	-52	176.8	176.8	61.6	-154.8	0	0	111.2	H82 R129 Y239 V241 A247 I248 Q249 K254 Y255 V258 A336	H82-E251 IonicContact CD2-OE2 3.11Å; H82-E251 IonicContact CE1-OE2 3.18Å; H82-E251 PolarHBondContact CE1-OE2 2.73Å; H82-E251 VanDerWaalsContact CE1-OE2 3.3Å; H82-E251 IonicContact NE2-OE2 3.53Å; H82-E251 PolarHBondContact NE2-OE2 3.03Å; R129-E251 IonicContact CZ-OE1 3.08Å; R129-E251 IonicContact NH1-OE1 3.49Å; R129-E251 PolarHBondContact NH1-OE1 3.44Å; R129-E251 IonicContact NH2-OE1 3.97Å; R129-E251 PolarHBondContact NH2-OE1 2.04Å; Y239-E251 PolarHBondContact OH-OE1 2.77Å; V241-E251 HydrophobicContact CG1-CB 4.35Å; V241-E251 HydrophobicContact CG2-CB 4.28Å; V241-E251 HydrophobicContact CG2-CG 3.86Å; A247-E251 WeakPolarHBondContact O-CB 3.39Å; A247-E251 PolarHBondContact O-N 3.28Å; I248-E251 PolarHBondContact O-N 3.19Å; Q249-E251 PolarHBondContact O-N 3.35Å; E251-K254 PolarHBondContact O-N 2.81Å; E251-Y255 PolarHBondContact O-N 3.11Å; E251-Y255 WeakPolarHBondContact OE2-CD2 3.03Å; E251-V258 HydrophobicContact CB-CG1 4.49Å; E251-V258 HydrophobicContact CG-CG1 3.55Å; E251-A336 HydrophobicContact CG-CB 4.42Å
252	I	98.9	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-50.4	-176.5	-68.9	166.2	0	0	0	110.9	F93 W99 I248 Q249 K250 K254 G256 V258 I291 W294 W303	F93-I252 HydrophobicContact CD1-CG2 4Å; F93-I252 HydrophobicContact CE1-CG2 3.75Å; W99-I252 WeakPolarHBondContact CH2-O 3.39Å; I248-I252 HydrophobicContact CG2-CD1 3.79Å; I248-I252 WeakPolarHBondContact O-CG1 3.46Å; I248-I252 PolarHBondContact O-N 2.87Å; Q249-I252 PolarHBondContact O-N 3.39Å; K250-I252 PolarHBondContact O-N 2.94Å; I252-K254 PolarHBondContact O-N 3.18Å; I252-G256 WeakPolarHBondContact CA-O 3.2Å; I252-G256 VanDerWaalsContact O-CA 3.31Å; I252-G256 WeakPolarHBondContact O-CA 3.37Å; I252-G256 PolarHBondContact O-N 2.8Å; I252-V258 HydrophobicContact CD1-CG2 3.84Å; I252-V258 HydrophobicContact CG1-CB 4.42Å; I252-V258 HydrophobicContact CG1-CG1 3.85Å; I252-V258 HydrophobicContact CG1-CG2 3.77Å; I252-I291 HydrophobicContact CD1-CB 4.07Å; I252-I291 HydrophobicContact CD1-CG2 3.62Å; I252-W294 HydrophobicContact CB-CZ3 3.96Å; I252-W294 HydrophobicContact CG2-CE3 4.48Å; I252-W294 HydrophobicContact CG2-CZ3 3.89Å; I252-W303 HydrophobicContact CD1-CZ3 4.11Å
253	M	98.7	Very high	98.8	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.059	12%	0.116	C	C	.	.	H	α-helix	trans	-68.8	-24.4	-177	67.5	-175.7	-169.3	0	0	113.3	W85 V87 I89 F93 K98 W99 Q249 K250 W294	W85-M253 HydrophobicContact CH2-CE 3.51Å; W85-M253 HydrophobicContact CH2-CG 4.19Å; W85-M253 HydrophobicContact CZ2-CE 4.19Å; W85-M253 HydrophobicContact CZ3-CE 3.88Å; V87-M253 HydrophobicContact CB-CE 4.21Å; V87-M253 HydrophobicContact CG1-CE 3.3Å; V87-M253 HydrophobicContact CG2-CE 3.82Å; I89-M253 HydrophobicContact CG1-CE 4.03Å; I89-M253 HydrophobicContact CG2-SD 4.46Å; F93-M253 HydrophobicContact CD2-CB 3.85Å; F93-M253 HydrophobicContact CE1-CB 4.32Å; F93-M253 HydrophobicContact CE2-CB 3.49Å; F93-M253 VanDerWaalsContact CE2-CB 3.49Å; F93-M253 HydrophobicContact CG-CB 4.39Å; F93-M253 VanDerWaalsContact CZ-CA 3.47Å; F93-M253 HydrophobicContact CZ-CB 3.78Å; K98-M253 PolarHBondContact NZ-O 2.86Å; W99-M253 WeakPolarHBondContact CH2-O 3.49Å; Q249-M253 WeakPolarHBondContact O-CG 3.37Å; Q249-M253 PolarHBondContact O-N 2.88Å; K250-M253 HydrophobicContact CG-CE 4.16Å; M253-W294 HydrophobicContact CB-CH2 3.8Å; M253-W294 HydrophobicContact CG-CH2 4.21Å; M253-W294 HydrophobicContact SD-CH2 4.19Å; M253-W294 HydrophobicContact SD-CZ2 4.47Å
254	K	98.5	Very high	98.8	Very high	83 Å²	83	20.8 Å²	20.8	36%	0.361	10%	0.097	S	C	.	.	H	α-helix	trans	-86.8	-48.6	179.2	-169	164.3	-179.8	169.5	0	112.5	W85 K250 E251 I252	W85-K254 HydrophobicContact CD2-CD 4.24Å; W85-K254 HydrophobicContact CE3-CD 3.84Å; W85-K254 HydrophobicContact CH2-CB 3.66Å; W85-K254 HydrophobicContact CH2-CD 3.7Å; W85-K254 HydrophobicContact CH2-CG 4.03Å; W85-K254 HydrophobicContact CZ2-CD 4.09Å; W85-K254 HydrophobicContact CZ3-CB 3.66Å; W85-K254 HydrophobicContact CZ3-CD 3.57Å; W85-K254 HydrophobicContact CZ3-CG 4.16Å; K250-K254 VanDerWaalsContact O-CB 3.26Å; K250-K254 WeakPolarHBondContact O-CB 3.22Å; K250-K254 PolarHBondContact O-N 3.24Å; E251-K254 PolarHBondContact O-N 2.81Å; I252-K254 PolarHBondContact O-N 3.18Å
255	Y	98.8	Very high	98.7	Very high	35 Å²	35	20.9 Å²	20.9	14%	0.137	9%	0.093	C	C	.	.	H	α-helix	trans	-114.4	-7.2	-165.4	-59.2	-67	0	0	0	114.4	H82 Q133 E251 R338	H82-Y255 AromaticContact CE1-CE2 3.67Å; Q133-Y255 PolarHBondContact NE2-O 2.87Å; Q133-Y255 VanDerWaalsContact NE2-O 3.15Å; E251-Y255 PolarHBondContact O-N 3.11Å; E251-Y255 WeakPolarHBondContact OE2-CD2 3.03Å; Y255-R338 HydrophobicContact CD1-CG 4.37Å; Y255-R338 PolarHBondContact OH-NH1 3.42Å
256	G	98.8	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.086	C	C	.	.			trans	104.6	-178.3	177.6	0	0	0	0	0	113.9	R129 I252	R129-G256 PolarHBondContact NH2-O 3.1Å; I252-G256 WeakPolarHBondContact CA-O 3.2Å; I252-G256 VanDerWaalsContact O-CA 3.31Å; I252-G256 WeakPolarHBondContact O-CA 3.37Å; I252-G256 PolarHBondContact O-N 2.8Å
257	P	98.9	Very high	98.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.			trans	-48.5	149.4	-179.1	-32.5	40.1	0	0	0	114.6	I105 D128 R129 R290 I291 I292	I105-P257 HydrophobicContact CG2-CG 4.17Å; D128-P257 HydrophobicContact CB-CB 4.5Å; D128-P257 HydrophobicContact CB-CG 4.14Å; D128-P257 WeakPolarHBondContact OD2-CG 3.43Å; R129-P257 PolarHBondContact NE-O 3.27Å; R129-P257 PolarHBondContact NH2-O 3.16Å; P257-R290 HydrophobicContact CB-CG 3.8Å; P257-I291 VanDerWaalsContact CA-O 3.27Å; P257-I291 WeakPolarHBondContact CA-O 3.48Å; P257-I291 WeakPolarHBondContact CB-O 3.01Å; P257-I292 HydrophobicContact CB-CG2 3.98Å; P257-I292 HydrophobicContact CG-CB 4.22Å; P257-I292 HydrophobicContact CG-CG2 3.9Å
258	V	99	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.9	-179.8	-62.4	0	0	0	0	110.1	E251 I252 R290 I291 V334 A336	E251-V258 HydrophobicContact CB-CG1 4.49Å; E251-V258 HydrophobicContact CG-CG1 3.55Å; I252-V258 HydrophobicContact CD1-CG2 3.84Å; I252-V258 HydrophobicContact CG1-CB 4.42Å; I252-V258 HydrophobicContact CG1-CG1 3.85Å; I252-V258 HydrophobicContact CG1-CG2 3.77Å; V258-R290 CarbonylContact O-C 3.53Å; V258-R290 WeakPolarHBondContact O-CA 3.49Å; V258-I291 HydrophobicContact CG2-CB 3.86Å; V258-I291 HydrophobicContact CG2-CD1 4.37Å; V258-I291 HydrophobicContact CG2-CG1 4.31Å; V258-I291 PolarHBondContact N-O 2.86Å; V258-I291 VanDerWaalsContact N-O 3.1Å; V258-I291 PolarHBondContact O-N 3.05Å; V258-V334 HydrophobicContact CB-CG1 3.83Å; V258-V334 HydrophobicContact CG1-CG1 4.33Å; V258-V334 HydrophobicContact CG2-CG1 3.57Å; V258-A336 HydrophobicContact CG1-CB 3.98Å
259	E	98.9	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.7	166.7	-178.9	178.9	-141.6	0	0	109.2	G121 A122 L163 W167 I289 V334 I335	G121-E259 WeakPolarHBondContact CA-OE1 3.3Å; A122-E259 WeakPolarHBondContact CB-OE2 3.43Å; A122-E259 PolarHBondContact N-OE1 2.8Å; L163-E259 HydrophobicContact CD2-CG 3.83Å; L163-E259 HydrophobicContact CG-CG 4.01Å; W167-E259 HydrophobicContact CZ2-CB 3.89Å; W167-E259 PolarHBondContact NE1-OE2 2.79Å; E259-I289 WeakPolarHBondContact CA-O 3.07Å; E259-V334 WeakPolarHBondContact O-CA 3.37Å; E259-I335 HydrophobicContact CB-CG2 3.93Å; E259-I335 HydrophobicContact CG-CG2 4.31Å; E259-I335 PolarHBondContact N-O 2.91Å; E259-I335 VanDerWaalsContact N-O 3.12Å; E259-I335 PolarHBondContact O-N 3.27Å
260	A	98.9	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	169.2	170.9	0	0	0	0	0	109.5	A288 I289 I291 V334	A260-A288 CarbonylContact O-C 3.6Å; A260-A288 WeakPolarHBondContact O-CA 3.48Å; A260-I289 HydrophobicContact CB-CD1 3.81Å; A260-I289 PolarHBondContact N-O 2.66Å; A260-I289 PolarHBondContact O-N 3.25Å; A260-I291 HydrophobicContact CB-CD1 3.66Å; A260-I291 HydrophobicContact CB-CG1 4.02Å; A260-V334 HydrophobicContact CB-CG2 3.9Å
261	S	98.5	Very high	98.3	Very high	9 Å²	9	12 Å²	12	6%	0.063	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.1	171.1	60	0	0	0	0	110.9	H287 S329 E333	S261-H287 CarbonylContact C-O 3.57Å; S261-H287 WeakPolarHBondContact CA-O 3.31Å; S261-H287 WeakPolarHBondContact CB-O 3.47Å; S261-S329 VanDerWaalsContact O-O 3.11Å; S261-E333 PolarHBondContact OG-OE2 3.15Å
262	F	98.7	Very high	98.2	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.018	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.8	174.1	73.1	-68	0	0	0	110.2	V264 F268 G286 H287 I289 F319 I321 C328 I330	F262-V264 HydrophobicContact CD2-CG2 4.45Å; F262-V264 HydrophobicContact CE1-CG2 4.25Å; F262-V264 HydrophobicContact CE2-CG2 3.72Å; F262-V264 HydrophobicContact CZ-CG2 3.6Å; F262-F268 HydrophobicContact CE2-CD1 4.34Å; F262-F268 HydrophobicContact CE2-CD2 4.25Å; F262-F268 HydrophobicContact CE2-CE1 4.22Å; F262-F268 HydrophobicContact CE2-CE2 4.11Å; F262-F268 HydrophobicContact CE2-CG 4.34Å; F262-F268 HydrophobicContact CE2-CZ 4.08Å; F262-F268 HydrophobicContact CZ-CD1 4.17Å; F262-F268 AromaticContact CZ-CE1 3.66Å; F262-F268 HydrophobicContact CZ-CE1 3.66Å; F262-F268 HydrophobicContact CZ-CE2 4.06Å; F262-F268 AromaticContact CZ-CZ 3.57Å; F262-F268 HydrophobicContact CZ-CZ 3.57Å; F262-G286 WeakPolarHBondContact O-CA 3.37Å; F262-H287 HydrophobicContact CE1-CB 4.01Å; F262-H287 AromaticContact CE1-CD2 3.85Å; F262-H287 HydrophobicContact CZ-CB 4.48Å; F262-H287 PolarHBondContact N-O 3.38Å; F262-H287 PolarHBondContact O-N 3.25Å; F262-I289 HydrophobicContact CD1-CG1 4.13Å; F262-I289 HydrophobicContact CD1-CG2 4.36Å; F262-I289 HydrophobicContact CE1-CG1 4.33Å; F262-I289 HydrophobicContact CE1-CG2 3.79Å; F262-F319 AromaticContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CZ-CE2 4.29Å; F262-F319 AromaticContact CZ-CZ 3.98Å; F262-F319 HydrophobicContact CZ-CZ 3.98Å; F262-I321 HydrophobicContact CD2-CD1 4.23Å; F262-C328 CarbonylContact C-O 3.51Å; F262-C328 WeakPolarHBondContact CA-O 3.27Å; F262-C328 HydrophobicContact CB-CB 4.21Å; F262-C328 WeakPolarHBondContact CB-O 3.34Å; F262-C328 HydrophobicContact CD2-CB 4.08Å; F262-I330 HydrophobicContact CB-CB 4.16Å; F262-I330 HydrophobicContact CB-CD1 3.78Å; F262-I330 HydrophobicContact CD1-CD1 4.2Å; F262-I330 HydrophobicContact CG-CD1 4.18Å
263	T	98.6	Very high	98.2	Very high	20 Å²	20	16.6 Å²	16.6	12%	0.123	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.1	173.6	-51.1	0	0	0	0	108.8	Y265 A283 G285 C328	T263-Y265 HydrophobicContact CG2-CD2 4.23Å; T263-Y265 HydrophobicContact CG2-CE2 3.69Å; T263-Y265 WeakPolarHBondContact O-CD2 3.41Å; T263-A283 HydrophobicContact CG2-CB 3.9Å; T263-G285 WeakPolarHBondContact CA-O 3.02Å; T263-C328 PolarHBondContact N-O 3.11Å; T263-C328 WeakPolarHBondContact O-CB 3.37Å; T263-C328 PolarHBondContact OG1-O 3.47Å
264	V	98.5	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.8	171.4	174.1	0	0	0	0	108.5	M63 F262 F268 L269 L284 G285 H287	M63-V264 HydrophobicContact CE-CG1 4.48Å; M63-V264 HydrophobicContact SD-CB 3.44Å; M63-V264 WeakPolarHBondContact SD-CB 3.47Å; M63-V264 HydrophobicContact SD-CG1 3.61Å; M63-V264 HydrophobicContact SD-CG2 3.57Å; M63-V264 VanDerWaalsContact SD-CG2 3.57Å; F262-V264 HydrophobicContact CD2-CG2 4.45Å; F262-V264 HydrophobicContact CE1-CG2 4.25Å; F262-V264 HydrophobicContact CE2-CG2 3.72Å; F262-V264 HydrophobicContact CZ-CG2 3.6Å; V264-F268 HydrophobicContact CG1-CB 4.15Å; V264-F268 HydrophobicContact CG1-CD1 3.95Å; V264-F268 HydrophobicContact CG1-CG 4.44Å; V264-F268 HydrophobicContact CG2-CD1 4.22Å; V264-L269 HydrophobicContact CG1-CD2 3.98Å; V264-L284 HydrophobicContact CG1-CD1 4.39Å; V264-L284 PolarHBondContact O-N 3.18Å; V264-G285 PolarHBondContact N-O 2.98Å; V264-H287 HydrophobicContact CG2-CB 3.46Å; V264-H287 VanDerWaalsContact CG2-CB 3.46Å
265	Y	97.9	Very high	98.2	Very high	57 Å²	57	12.9 Å²	12.9	22%	0.224	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	164.5	170.2	-67.6	-95.5	0	0	0	109.9	T263 D267 F268 H278 E282 A283 C328	T263-Y265 HydrophobicContact CG2-CD2 4.23Å; T263-Y265 HydrophobicContact CG2-CE2 3.69Å; T263-Y265 WeakPolarHBondContact O-CD2 3.41Å; Y265-D267 WeakPolarHBondContact CB-OD1 3.48Å; Y265-D267 PolarHBondContact O-N 3.17Å; Y265-F268 WeakPolarHBondContact O-CB 3.36Å; Y265-F268 PolarHBondContact O-N 3.05Å; Y265-F268 VanDerWaalsContact O-N 3.16Å; Y265-H278 WeakPolarHBondContact CB-ND1 3.42Å; Y265-H278 AromaticContact CD1-CE1 3.37Å; Y265-H278 WeakPolarHBondContact CD1-CE1 3.18Å; Y265-H278 AromaticContact CD1-ND1 3.79Å; Y265-H278 AromaticContact CD1-NE2 3.56Å; Y265-H278 HydrophobicContact CD2-CB 4.18Å; Y265-H278 AromaticContact CD2-CG 3.87Å; Y265-H278 AromaticContact CD2-ND1 3.93Å; Y265-H278 AromaticContact CE1-NE2 3.76Å; Y265-H278 AromaticContact CG-CE1 3.54Å; Y265-H278 AromaticContact CG-CG 3.82Å; Y265-H278 AromaticContact CG-ND1 3.44Å; Y265-E282 WeakPolarHBondContact CA-O 3.42Å; Y265-A283 HydrophobicContact CD1-CB 4.07Å; Y265-A283 HydrophobicContact CE1-CB 3.77Å; Y265-C328 HydrophobicContact CE2-CB 4.27Å
266	E	97.4	Very high	98.2	Very high	23 Å²	23	11.2 Å²	11.2	11%	0.107	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-56.3	-37.6	-177.6	-68.4	165.3	158.1	0	0	113.2	P28 L56 F268 L269 G281 E282 L284	P28-E266 HydrophobicContact CB-CB 4.12Å; P28-E266 HydrophobicContact CB-CG 4.1Å; P28-E266 HydrophobicContact CG-CB 4.18Å; P28-E266 HydrophobicContact CG-CG 3.82Å; P28-E266 VanDerWaalsContact CG-OE1 3.31Å; P28-E266 WeakPolarHBondContact CG-OE1 3.37Å; L56-E266 HydrophobicContact CD2-CG 4.13Å; E266-F268 VanDerWaalsContact C-N 3.32Å; E266-F268 PolarHBondContact O-N 3.3Å; E266-L269 WeakPolarHBondContact O-CB 3.48Å; E266-L269 PolarHBondContact O-N 3.08Å; E266-G281 WeakPolarHBondContact OE2-CA 3.23Å; E266-E282 VanDerWaalsContact CD-N 3.33Å; E266-E282 PolarHBondContact N-O 2.96Å; E266-E282 VanDerWaalsContact N-O 3.11Å; E266-E282 PolarHBondContact OE2-N 3.17Å; E266-L284 HydrophobicContact CG-CD1 4.06Å; E266-L284 HydrophobicContact CG-CD2 3.71Å; E266-L284 HydrophobicContact CG-CG 3.88Å
267	D	97.5	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-60.8	-36.8	178.4	61	2.1	0	0	0	113.3	I33 I37 W45 Y265 L269 N270 Y276 H278 I279 T280	I33-D267 HydrophobicContact CD1-CB 4.25Å; I37-D267 HydrophobicContact CD1-CB 3.96Å; W45-D267 HydrophobicContact CH2-CB 3.97Å; W45-D267 VanDerWaalsContact CH2-O 3.3Å; W45-D267 WeakPolarHBondContact CH2-O 3.07Å; W45-D267 HydrophobicContact CZ2-CB 4.08Å; Y265-D267 WeakPolarHBondContact CB-OD1 3.48Å; Y265-D267 PolarHBondContact O-N 3.17Å; D267-L269 PolarHBondContact O-N 3.15Å; D267-L269 VanDerWaalsContact O-N 3.15Å; D267-N270 PolarHBondContact O-N 2.98Å; D267-N270 VanDerWaalsContact O-N 3.12Å; D267-Y276 PolarHBondContact OD1-OH 2.86Å; D267-H278 IonicContact OD1-ND1 3.2Å; D267-H278 PolarHBondContact OD1-ND1 2.83Å; D267-H278 WeakPolarHBondContact OD2-CA 3.33Å; D267-H278 IonicContact OD2-CE1 3.93Å; D267-H278 IonicContact OD2-CG 2.9Å; D267-H278 IonicContact OD2-ND1 2.76Å; D267-H278 PolarHBondContact OD2-ND1 2.72Å; D267-H278 VanDerWaalsContact OD2-ND1 3.08Å; D267-I279 PolarHBondContact OD2-N 3.49Å; D267-T280 HydrophobicContact CB-CG2 4.39Å; D267-T280 VanDerWaalsContact CB-O 3.26Å; D267-T280 WeakPolarHBondContact CB-O 3.46Å; D267-T280 PolarHBondContact OD2-N 2.66Å; D267-T280 VanDerWaalsContact OD2-O 3.07Å
268	F	98	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-60.4	-28.2	-178.9	-174.4	-103.6	0	0	0	113.1	F262 V264 Y265 E266 N270 Y271 Y276 W309 W313 F319	F262-F268 HydrophobicContact CE2-CD1 4.34Å; F262-F268 HydrophobicContact CE2-CD2 4.25Å; F262-F268 HydrophobicContact CE2-CE1 4.22Å; F262-F268 HydrophobicContact CE2-CE2 4.11Å; F262-F268 HydrophobicContact CE2-CG 4.34Å; F262-F268 HydrophobicContact CE2-CZ 4.08Å; F262-F268 HydrophobicContact CZ-CD1 4.17Å; F262-F268 AromaticContact CZ-CE1 3.66Å; F262-F268 HydrophobicContact CZ-CE1 3.66Å; F262-F268 HydrophobicContact CZ-CE2 4.06Å; F262-F268 AromaticContact CZ-CZ 3.57Å; F262-F268 HydrophobicContact CZ-CZ 3.57Å; V264-F268 HydrophobicContact CG1-CB 4.15Å; V264-F268 HydrophobicContact CG1-CD1 3.95Å; V264-F268 HydrophobicContact CG1-CG 4.44Å; V264-F268 HydrophobicContact CG2-CD1 4.22Å; Y265-F268 WeakPolarHBondContact O-CB 3.36Å; Y265-F268 PolarHBondContact O-N 3.05Å; Y265-F268 VanDerWaalsContact O-N 3.16Å; E266-F268 VanDerWaalsContact C-N 3.32Å; E266-F268 PolarHBondContact O-N 3.3Å; F268-N270 PolarHBondContact O-N 3.22Å; F268-N270 VanDerWaalsContact O-N 3.11Å; F268-Y271 VanDerWaalsContact O-CB 3.26Å; F268-Y271 WeakPolarHBondContact O-CB 3.26Å; F268-Y271 PolarHBondContact O-N 2.83Å; F268-Y276 HydrophobicContact CB-CE1 4.37Å; F268-Y276 HydrophobicContact CB-CE2 3.88Å; F268-Y276 AromaticContact CD2-CD1 3.64Å; F268-Y276 HydrophobicContact CD2-CD1 3.64Å; F268-Y276 AromaticContact CD2-CD2 3.78Å; F268-Y276 HydrophobicContact CD2-CD2 3.78Å; F268-Y276 AromaticContact CD2-CE1 3.64Å; F268-Y276 HydrophobicContact CD2-CE1 3.64Å; F268-Y276 AromaticContact CD2-CE2 3.77Å; F268-Y276 HydrophobicContact CD2-CE2 3.77Å; F268-Y276 AromaticContact CD2-CG 3.73Å; F268-Y276 HydrophobicContact CD2-CG 3.73Å; F268-Y276 AromaticContact CD2-CZ 3.7Å; F268-Y276 HydrophobicContact CE2-CD1 4.03Å; F268-Y276 HydrophobicContact CE2-CE1 4.37Å; F268-Y276 HydrophobicContact CE2-CG 4.13Å; F268-Y276 HydrophobicContact CG-CE1 4.37Å; F268-Y276 HydrophobicContact CG-CE2 4.34Å; F268-W309 HydrophobicContact CD1-CH2 4.29Å; F268-W309 HydrophobicContact CD1-CZ3 4.29Å; F268-W309 AromaticContact CE1-CH2 3.96Å; F268-W309 HydrophobicContact CE1-CH2 3.96Å; F268-W309 AromaticContact CE1-CZ3 3.78Å; F268-W309 HydrophobicContact CE1-CZ3 3.78Å; F268-W313 HydrophobicContact CD1-CZ2 4.47Å; F268-W313 AromaticContact CE1-CH2 3.91Å; F268-W313 HydrophobicContact CE1-CH2 3.91Å; F268-W313 AromaticContact CE1-CZ2 3.68Å; F268-W313 HydrophobicContact CE1-CZ2 3.68Å; F268-W313 HydrophobicContact CE2-CH2 4.15Å; F268-W313 HydrophobicContact CE2-CZ2 4.36Å; F268-W313 AromaticContact CZ-CH2 3.42Å; F268-W313 HydrophobicContact CZ-CH2 3.42Å; F268-W313 VanDerWaalsContact CZ-CH2 3.42Å; F268-W313 AromaticContact CZ-CZ2 3.64Å; F268-W313 HydrophobicContact CZ-CZ2 3.64Å; F268-F319 AromaticContact CE2-CD2 3.74Å; F268-F319 HydrophobicContact CE2-CD2 3.74Å; F268-F319 AromaticContact CE2-CE2 3.84Å; F268-F319 HydrophobicContact CE2-CE2 3.84Å; F268-F319 HydrophobicContact CE2-CG 4.28Å; F268-F319 HydrophobicContact CE2-CZ 4.45Å; F268-F319 HydrophobicContact CZ-CD1 4.34Å; F268-F319 AromaticContact CZ-CD2 3.95Å; F268-F319 HydrophobicContact CZ-CD2 3.95Å; F268-F319 HydrophobicContact CZ-CE1 4.26Å; F268-F319 AromaticContact CZ-CE2 3.88Å; F268-F319 HydrophobicContact CZ-CE2 3.88Å; F268-F319 HydrophobicContact CZ-CG 4.18Å; F268-F319 HydrophobicContact CZ-CZ 4.03Å
269	L	96.4	Very high	98	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.3	-179.2	-56.4	-173.1	0	0	0	112.8	L29 F53 L56 A59 V264 E266 D267 L284	L29-L269 HydrophobicContact CD2-CB 3.57Å; L29-L269 HydrophobicContact CD2-CD1 4.06Å; L29-L269 HydrophobicContact CG-CD1 4.32Å; F53-L269 HydrophobicContact CD2-CB 3.93Å; F53-L269 HydrophobicContact CD2-CD2 4Å; F53-L269 HydrophobicContact CD2-CG 4.42Å; F53-L269 HydrophobicContact CE2-CB 4.42Å; F53-L269 HydrophobicContact CE2-CD2 3.93Å; F53-L269 HydrophobicContact CZ-CD2 4.44Å; L56-L269 HydrophobicContact CD2-CD1 4.01Å; A59-L269 HydrophobicContact CB-CD1 3.58Å; A59-L269 HydrophobicContact CB-CD2 3.62Å; A59-L269 HydrophobicContact CB-CG 4.27Å; V264-L269 HydrophobicContact CG1-CD2 3.98Å; E266-L269 WeakPolarHBondContact O-CB 3.48Å; E266-L269 PolarHBondContact O-N 3.08Å; D267-L269 PolarHBondContact O-N 3.15Å; D267-L269 VanDerWaalsContact O-N 3.15Å; L269-L284 HydrophobicContact CD1-CD1 3.56Å; L269-L284 HydrophobicContact CD2-CD1 4.1Å; L269-L284 HydrophobicContact CG-CD1 3.89Å
270	N	96.5	Very high	97.9	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.011	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-98.4	3.6	176.6	-68	105.6	0	0	0	113.6	L29 I34 A47 E48 D267 F268 K272	L29-N270 WeakPolarHBondContact CA-OD1 3.26Å; I34-N270 HydrophobicContact CG1-CB 4.2Å; A47-N270 CarbonylContact C-O 3.48Å; A47-N270 WeakPolarHBondContact CA-O 3.41Å; A47-N270 HydrophobicContact CB-CB 4.01Å; E48-N270 PolarHBondContact N-O 3.11Å; E48-N270 WeakPolarHBondContact O-CA 3.42Å; E48-N270 WeakPolarHBondContact O-CB 3.46Å; E48-N270 PolarHBondContact O-ND2 3.48Å; D267-N270 PolarHBondContact O-N 2.98Å; D267-N270 VanDerWaalsContact O-N 3.12Å; F268-N270 PolarHBondContact O-N 3.22Å; F268-N270 VanDerWaalsContact O-N 3.11Å; N270-K272 PolarHBondContact O-N 2.78Å
271	Y	97.9	Very high	97.7	Very high	5 Å²	5	18 Å²	18	2%	0.02	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129	-179.4	175.1	-91.1	0	0	0	112.3	W45 F268 G274 Y276 W313 E315 F319 R320	W45-Y271 HydrophobicContact CB-CD2 4.38Å; W45-Y271 HydrophobicContact CB-CE2 4.2Å; W45-Y271 HydrophobicContact CD2-CD2 4.4Å; W45-Y271 AromaticContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CZ3-CD2 4.5Å; F268-Y271 VanDerWaalsContact O-CB 3.26Å; F268-Y271 WeakPolarHBondContact O-CB 3.26Å; F268-Y271 PolarHBondContact O-N 2.83Å; Y271-G274 WeakPolarHBondContact CE2-O 3.16Å; Y271-G274 PolarHBondContact OH-O 3.22Å; Y271-Y276 HydrophobicContact CD2-CD2 4.41Å; Y271-W313 AromaticContact CD1-CH2 3.73Å; Y271-W313 HydrophobicContact CD1-CH2 3.73Å; Y271-W313 AromaticContact CD1-CZ2 3.91Å; Y271-W313 HydrophobicContact CD1-CZ2 3.91Å; Y271-W313 HydrophobicContact CD1-CZ3 4.37Å; Y271-W313 HydrophobicContact CE1-CH2 4.32Å; Y271-W313 HydrophobicContact CG-CH2 4.5Å; Y271-W313 HydrophobicContact CG-CZ2 4.46Å; Y271-E315 HydrophobicContact CE1-CG 4.27Å; Y271-E315 VanDerWaalsContact OH-CD 3.3Å; Y271-E315 PolarHBondContact OH-OE2 3.48Å; Y271-F319 HydrophobicContact CD1-CB 3.93Å; Y271-F319 HydrophobicContact CE1-CB 3.29Å; Y271-F319 HydrophobicContact CE2-CB 4.46Å; Y271-R320 PolarHBondContact OH-N 3.48Å
272	K	96.8	Very high	97.6	Very high	60 Å²	60	22 Å²	22	26%	0.261	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-52.3	170.8	-177.8	50.8	160.4	-159.9	0	113.3	R46 E48 N270 G314	R46-K272 WeakPolarHBondContact O-CB 3.48Å; R46-K272 PolarHBondContact O-N 2.94Å; E48-K272 HydrophobicContact CB-CB 4.33Å; E48-K272 VanDerWaalsContact CD-CE 3.43Å; E48-K272 HydrophobicContact CG-CB 3.91Å; E48-K272 HydrophobicContact CG-CD 4.18Å; E48-K272 HydrophobicContact CG-CG 4.17Å; E48-K272 WeakPolarHBondContact OE1-CD 3.2Å; E48-K272 WeakPolarHBondContact OE1-CE 3.39Å; E48-K272 IonicContact OE1-NZ 2.75Å; E48-K272 PolarHBondContact OE1-NZ 2.89Å; E48-K272 WeakPolarHBondContact OE2-CD 3.44Å; E48-K272 VanDerWaalsContact OE2-CE 3.23Å; E48-K272 WeakPolarHBondContact OE2-CE 3.49Å; E48-K272 VanDerWaalsContact OE2-CG 3.31Å; E48-K272 WeakPolarHBondContact OE2-CG 3.49Å; E48-K272 IonicContact OE2-NZ 3.77Å; N270-K272 PolarHBondContact O-N 2.78Å; K272-G314 CarbonylContact O-C 3.54Å; K272-G314 WeakPolarHBondContact O-CA 3.18Å
273	S	98	Very high	97.5	Very high	38 Å²	38	24.6 Å²	24.6	27%	0.266	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	164.2	-171.8	59.9	0	0	0	0	112.5	W45 R46 E315	W45-S273 CarbonylContact C-O 3.49Å; W45-S273 WeakPolarHBondContact CA-O 3.31Å; W45-S273 VanDerWaalsContact CB-O 3.25Å; W45-S273 WeakPolarHBondContact CB-O 3.22Å; R46-S273 PolarHBondContact N-O 2.63Å; S273-E315 WeakPolarHBondContact CA-OE1 3.34Å; S273-E315 WeakPolarHBondContact CB-OE1 3.23Å
274	G	98.4	Very high	97.4	Very high	11 Å²	11	24.6 Å²	24.6	11%	0.113	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-165.1	-178	0	0	0	0	0	112.8	Y271 E315	Y271-G274 WeakPolarHBondContact CE2-O 3.16Å; Y271-G274 PolarHBondContact OH-O 3.22Å; G274-E315 PolarHBondContact N-OE1 2.85Å
275	I	98.7	Very high	97.3	Very high	6 Å²	6	26 Å²	26	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	101.8	-177.2	-56.9	168.8	0	0	0	108.5	G44 K277 E297 T300 Y302 R320 V322	G44-I275 CarbonylContact C-O 3.57Å; G44-I275 PolarHBondContact O-N 3.46Å; I275-K277 PolarHBondContact O-N 3.16Å; I275-E297 HydrophobicContact CD1-CB 4.08Å; I275-T300 HydrophobicContact CB-CG2 4.41Å; I275-T300 HydrophobicContact CD1-CG2 3.69Å; I275-T300 HydrophobicContact CG2-CG2 4.03Å; I275-Y302 HydrophobicContact CD1-CD1 3.67Å; I275-Y302 HydrophobicContact CD1-CG 4.22Å; I275-Y302 HydrophobicContact CG1-CD1 4.09Å; I275-Y302 HydrophobicContact CG1-CG 4.24Å; I275-R320 CarbonylContact C-O 3.14Å; I275-R320 HydrophobicContact CG1-CB 4.31Å; I275-V322 HydrophobicContact CG2-CB 4.49Å; I275-V322 HydrophobicContact CG2-CG2 3.76Å
276	Y	98.8	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	134.9	176.8	177.2	-108.4	0	0	0	110.9	W45 D267 F268 Y271 R320 I321 V322	W45-Y276 HydrophobicContact CD2-CD2 4.03Å; W45-Y276 AromaticContact CE2-CD2 3.71Å; W45-Y276 HydrophobicContact CE3-CD2 4.43Å; W45-Y276 HydrophobicContact CG-CD2 4.48Å; W45-Y276 HydrophobicContact CH2-CD2 4.22Å; W45-Y276 HydrophobicContact CH2-CE2 4.16Å; W45-Y276 AromaticContact CZ2-CD2 3.84Å; W45-Y276 HydrophobicContact CZ2-CD2 3.84Å; W45-Y276 AromaticContact CZ2-CE2 3.78Å; W45-Y276 HydrophobicContact CZ2-CE2 3.78Å; W45-Y276 AromaticContact NE1-CD2 3.97Å; D267-Y276 PolarHBondContact OD1-OH 2.86Å; F268-Y276 HydrophobicContact CB-CE1 4.37Å; F268-Y276 HydrophobicContact CB-CE2 3.88Å; F268-Y276 AromaticContact CD2-CD1 3.64Å; F268-Y276 HydrophobicContact CD2-CD1 3.64Å; F268-Y276 AromaticContact CD2-CD2 3.78Å; F268-Y276 HydrophobicContact CD2-CD2 3.78Å; F268-Y276 AromaticContact CD2-CE1 3.64Å; F268-Y276 HydrophobicContact CD2-CE1 3.64Å; F268-Y276 AromaticContact CD2-CE2 3.77Å; F268-Y276 HydrophobicContact CD2-CE2 3.77Å; F268-Y276 AromaticContact CD2-CG 3.73Å; F268-Y276 HydrophobicContact CD2-CG 3.73Å; F268-Y276 AromaticContact CD2-CZ 3.7Å; F268-Y276 HydrophobicContact CE2-CD1 4.03Å; F268-Y276 HydrophobicContact CE2-CE1 4.37Å; F268-Y276 HydrophobicContact CE2-CG 4.13Å; F268-Y276 HydrophobicContact CG-CE1 4.37Å; F268-Y276 HydrophobicContact CG-CE2 4.34Å; Y271-Y276 HydrophobicContact CD2-CD2 4.41Å; Y276-R320 WeakPolarHBondContact CB-O 3.12Å; Y276-R320 PolarHBondContact N-O 2.96Å; Y276-I321 HydrophobicContact CD1-CD1 3.81Å; Y276-I321 HydrophobicContact CD1-CG1 3.89Å; Y276-I321 HydrophobicContact CE1-CD1 4.25Å; Y276-I321 WeakPolarHBondContact O-CA 3.4Å; Y276-I321 WeakPolarHBondContact O-CG1 3.38Å; Y276-V322 PolarHBondContact O-N 3.25Å
277	K	98.2	Very high	97.4	Very high	49 Å²	49	23.4 Å²	23.4	21%	0.213	15%	0.145	C	C	.	.			trans	-141.7	148.2	158.2	61.3	-177.6	-173.9	-173.4	0	107.1	N42 A43 W45 I275 I279 V322 E327	N42-K277 WeakPolarHBondContact O-CE 3.35Å; N42-K277 PolarHBondContact O-NZ 2.75Å; A43-K277 WeakPolarHBondContact O-CE 3.5Å; W45-K277 PolarHBondContact NE1-O 2.65Å; I275-K277 PolarHBondContact O-N 3.16Å; K277-I279 HydrophobicContact CG-CG1 4.31Å; K277-I279 PolarHBondContact O-N 3.06Å; K277-V322 HydrophobicContact CB-CG2 3.89Å; K277-E327 VanDerWaalsContact CA-OE1 3.3Å; K277-E327 WeakPolarHBondContact CA-OE1 3.5Å; K277-E327 WeakPolarHBondContact CB-OE1 3.48Å
278	H	98.1	Very high	97.5	Very high	56 Å²	56	23.4 Å²	23.4	26%	0.259	15%	0.145	S	C	.	.			trans	-64.8	135.1	173.9	176	52.5	0	0	0	110.4	Y265 D267 T280 G281 E327	Y265-H278 WeakPolarHBondContact CB-ND1 3.42Å; Y265-H278 AromaticContact CD1-CE1 3.37Å; Y265-H278 WeakPolarHBondContact CD1-CE1 3.18Å; Y265-H278 AromaticContact CD1-ND1 3.79Å; Y265-H278 AromaticContact CD1-NE2 3.56Å; Y265-H278 HydrophobicContact CD2-CB 4.18Å; Y265-H278 AromaticContact CD2-CG 3.87Å; Y265-H278 AromaticContact CD2-ND1 3.93Å; Y265-H278 AromaticContact CE1-NE2 3.76Å; Y265-H278 AromaticContact CG-CE1 3.54Å; Y265-H278 AromaticContact CG-CG 3.82Å; Y265-H278 AromaticContact CG-ND1 3.44Å; D267-H278 IonicContact OD1-ND1 3.2Å; D267-H278 PolarHBondContact OD1-ND1 2.83Å; D267-H278 WeakPolarHBondContact OD2-CA 3.33Å; D267-H278 IonicContact OD2-CE1 3.93Å; D267-H278 IonicContact OD2-CG 2.9Å; D267-H278 IonicContact OD2-ND1 2.76Å; D267-H278 PolarHBondContact OD2-ND1 2.72Å; D267-H278 VanDerWaalsContact OD2-ND1 3.08Å; H278-T280 PolarHBondContact CE1-O 3.12Å; H278-T280 PolarHBondContact ND1-O 2.83Å; H278-G281 PolarHBondContact CE1-O 3.2Å; H278-E327 PolarHBondContact N-OE1 2.89Å
279	I	96.9	Very high	97.5	Very high	18 Å²	18	23.5 Å²	23.5	9%	0.092	15%	0.145	C	C	.	.			trans	-125.4	-43.5	178.2	-55.2	177.6	0	0	0	110.3	Y36 A43 W45 D267 K277	Y36-I279 HydrophobicContact CE1-CG2 3.74Å; A43-I279 HydrophobicContact CB-CD1 3.53Å; W45-I279 HydrophobicContact CZ2-CD1 4.47Å; D267-I279 PolarHBondContact OD2-N 3.49Å; K277-I279 HydrophobicContact CG-CG1 4.31Å; K277-I279 PolarHBondContact O-N 3.06Å
280	T	96.4	Very high	97.6	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.018	15%	0.145	C	C	.	.	S	Bend	trans	-153.1	167.2	-176.5	-171.3	0	0	0	0	111.7	E24 F26 I33 Y36 D267 H278	E24-T280 PolarHBondContact O-OG1 3.28Å; F26-T280 HydrophobicContact CD2-CG2 4.01Å; F26-T280 HydrophobicContact CE2-CG2 4.41Å; I33-T280 HydrophobicContact CD1-CG2 3.99Å; I33-T280 HydrophobicContact CG1-CG2 3.87Å; Y36-T280 HydrophobicContact CD1-CG2 3.82Å; Y36-T280 HydrophobicContact CE1-CG2 3.82Å; D267-T280 HydrophobicContact CB-CG2 4.39Å; D267-T280 VanDerWaalsContact CB-O 3.26Å; D267-T280 WeakPolarHBondContact CB-O 3.46Å; D267-T280 PolarHBondContact OD2-N 2.66Å; D267-T280 VanDerWaalsContact OD2-O 3.07Å; H278-T280 PolarHBondContact CE1-O 3.12Å; H278-T280 PolarHBondContact ND1-O 2.83Å
281	G	95.8	Very high	97.7	Very high	15 Å²	15	23.3 Å²	23.3	16%	0.155	14%	0.144	C	C	.	.	S	Bend	trans	93	159.1	179.9	0	0	0	0	0	113.8	E266 H278	E266-G281 WeakPolarHBondContact OE2-CA 3.23Å; H278-G281 PolarHBondContact CE1-O 3.2Å
282	E	95.8	Very high	97.8	Very high	94 Å²	94	23.1 Å²	23.1	44%	0.439	14%	0.143	S	C	.	.			trans	-85	161.5	-178.1	-58.4	-70	165	0	0	111.5	K25 Y265 E266	K25-E282 WeakPolarHBondContact CE-OE1 3.21Å; K25-E282 IonicContact NZ-OE1 2.74Å; K25-E282 PolarHBondContact NZ-OE1 3.25Å; Y265-E282 WeakPolarHBondContact CA-O 3.42Å; E266-E282 VanDerWaalsContact CD-N 3.33Å; E266-E282 PolarHBondContact N-O 2.96Å; E266-E282 VanDerWaalsContact N-O 3.11Å; E266-E282 PolarHBondContact OE2-N 3.17Å
283	A	97.1	Very high	97.9	Very high	59 Å²	59	20.2 Å²	20.2	49%	0.488	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.6	176.2	0	0	0	0	0	110.9	T263 Y265	T263-A283 HydrophobicContact CG2-CB 3.9Å; Y265-A283 HydrophobicContact CD1-CB 4.07Å; Y265-A283 HydrophobicContact CE1-CB 3.77Å
284	L	96.8	Very high	97.9	Very high	19 Å²	19	18.6 Å²	18.6	10%	0.099	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-29.8	-179.9	-63.4	179.2	0	0	0	113.8	L56 M63 V264 E266 L269	L56-L284 HydrophobicContact CD1-CD2 3.97Å; L56-L284 HydrophobicContact CD2-CD1 3.96Å; L56-L284 HydrophobicContact CD2-CD2 3.75Å; L56-L284 HydrophobicContact CG-CD2 4.31Å; M63-L284 HydrophobicContact CE-CB 3.79Å; V264-L284 HydrophobicContact CG1-CD1 4.39Å; V264-L284 PolarHBondContact O-N 3.18Å; E266-L284 HydrophobicContact CG-CD1 4.06Å; E266-L284 HydrophobicContact CG-CD2 3.71Å; E266-L284 HydrophobicContact CG-CG 3.88Å; L269-L284 HydrophobicContact CD1-CD1 3.56Å; L269-L284 HydrophobicContact CD2-CD1 4.1Å; L269-L284 HydrophobicContact CG-CD1 3.89Å
285	G	96.8	Very high	97.9	Very high	31 Å²	31	18 Å²	18	32%	0.32	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-176.7	-179.7	0	0	0	0	0	113.4	T263 V264	T263-G285 WeakPolarHBondContact CA-O 3.02Å; V264-G285 PolarHBondContact N-O 2.98Å
286	G	98	Very high	97.9	Very high	24 Å²	24	20.8 Å²	20.8	25%	0.247	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.2	175.4	0	0	0	0	0	112.2	G64 A65 F262	G64-G286 PolarHBondContact N-O 2.89Å; A65-G286 PolarHBondContact N-O 3.16Å; A65-G286 CarbonylContact O-C 3.5Å; A65-G286 WeakPolarHBondContact O-CA 3.42Å; F262-G286 WeakPolarHBondContact O-CA 3.37Å
287	H	98.7	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.2	174.5	-172.3	49	0	0	0	110.5	M63 Q111 C117 S261 F262 V264 N307 W309	M63-H287 HydrophobicContact CG-CB 4.13Å; M63-H287 HydrophobicContact SD-CB 4.38Å; Q111-H287 PolarHBondContact OE1-CE1 2.87Å; C117-H287 WeakPolarHBondContact CB-CE1 3.06Å; C117-H287 VanDerWaalsContact CB-ND1 3.25Å; C117-H287 WeakPolarHBondContact CB-ND1 3.39Å; C117-H287 PolarHBondContact SG-ND1 2.8Å; S261-H287 CarbonylContact C-O 3.57Å; S261-H287 WeakPolarHBondContact CA-O 3.31Å; S261-H287 WeakPolarHBondContact CB-O 3.47Å; F262-H287 HydrophobicContact CE1-CB 4.01Å; F262-H287 AromaticContact CE1-CD2 3.85Å; F262-H287 HydrophobicContact CZ-CB 4.48Å; F262-H287 PolarHBondContact N-O 3.38Å; F262-H287 PolarHBondContact O-N 3.25Å; V264-H287 HydrophobicContact CG2-CB 3.46Å; V264-H287 VanDerWaalsContact CG2-CB 3.46Å; H287-N307 PolarHBondContact NE2-OD1 2.72Å; H287-W309 AromaticContact CE1-CE2 3.88Å; H287-W309 AromaticContact CE1-CZ2 3.87Å; H287-W309 AromaticContact CE1-NE1 3.72Å; H287-W309 AromaticContact NE2-CE2 3.77Å; H287-W309 AromaticContact NE2-CZ2 3.7Å; H287-W309 AromaticContact NE2-NE1 3.97Å
288	A	98.7	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.1	-178.8	0	0	0	0	0	109.8	A65 C117 W118 L163 A260	A65-A288 HydrophobicContact CB-CB 3.9Å; C117-A288 HydrophobicContact CB-CB 4.26Å; C117-A288 PolarHBondContact SG-N 3.26Å; C117-A288 VanDerWaalsContact SG-N 3.36Å; W118-A288 HydrophobicContact CB-CB 4.45Å; L163-A288 HydrophobicContact CD1-CB 3.87Å; L163-A288 HydrophobicContact CG-CB 4.38Å; A260-A288 CarbonylContact O-C 3.6Å; A260-A288 WeakPolarHBondContact O-CA 3.48Å
289	I	98.8	Very high	97.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	175.2	-171.5	56.4	64.7	0	0	0	110.5	E259 A260 F262 I291 I305 F319 I330	E259-I289 WeakPolarHBondContact CA-O 3.07Å; A260-I289 HydrophobicContact CB-CD1 3.81Å; A260-I289 PolarHBondContact N-O 2.66Å; A260-I289 PolarHBondContact O-N 3.25Å; F262-I289 HydrophobicContact CD1-CG1 4.13Å; F262-I289 HydrophobicContact CD1-CG2 4.36Å; F262-I289 HydrophobicContact CE1-CG1 4.33Å; F262-I289 HydrophobicContact CE1-CG2 3.79Å; I289-I291 HydrophobicContact CD1-CD1 4.37Å; I289-I291 HydrophobicContact CD1-CG1 3.54Å; I289-I305 HydrophobicContact CB-CG2 3.53Å; I289-I305 HydrophobicContact CD1-CD1 4.08Å; I289-I305 HydrophobicContact CD1-CG1 4.44Å; I289-I305 HydrophobicContact CD1-CG2 3.6Å; I289-I305 HydrophobicContact CG1-CD1 4.41Å; I289-I305 HydrophobicContact CG1-CG2 3.61Å; I289-I305 HydrophobicContact CG2-CG2 4.2Å; I289-F319 HydrophobicContact CG1-CZ 4.44Å; I289-F319 HydrophobicContact CG2-CE1 4.03Å; I289-F319 HydrophobicContact CG2-CZ 4.14Å; I289-I330 HydrophobicContact CD1-CD1 3.98Å; I289-I330 HydrophobicContact CG1-CD1 4.18Å
290	R	98.9	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.3	175	177.9	171.4	52.9	103	0.2	111.5	I105 T107 E124 A125 D128 P257 V258 I292 I305 A306	I105-R290 PolarHBondContact O-NH1 3.37Å; T107-R290 PolarHBondContact O-NH2 2.87Å; T107-R290 VanDerWaalsContact O-NH2 3.13Å; E124-R290 IonicContact OE2-CZ 2.72Å; E124-R290 IonicContact OE2-NE 2.61Å; E124-R290 PolarHBondContact OE2-NE 3.25Å; E124-R290 IonicContact OE2-NH2 3.35Å; E124-R290 PolarHBondContact OE2-NH2 2.86Å; A125-R290 HydrophobicContact CB-CG 4.24Å; D128-R290 IonicContact OD1-NH1 3.83Å; D128-R290 WeakPolarHBondContact OD2-CD 3.01Å; D128-R290 IonicContact OD2-CZ 3.65Å; D128-R290 IonicContact OD2-NE 3.49Å; D128-R290 IonicContact OD2-NH1 2.72Å; D128-R290 PolarHBondContact OD2-NH1 3.3Å; P257-R290 HydrophobicContact CB-CG 3.8Å; V258-R290 CarbonylContact O-C 3.53Å; V258-R290 WeakPolarHBondContact O-CA 3.49Å; R290-I292 HydrophobicContact CG-CG2 4Å; R290-I305 WeakPolarHBondContact O-CA 3.36Å; R290-A306 HydrophobicContact CB-CB 4.48Å; R290-A306 PolarHBondContact N-O 3.49Å; R290-A306 PolarHBondContact O-N 3.3Å
291	I	99	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.6	175.5	-47.8	-178.8	0	0	0	108.6	I252 P257 V258 A260 I289 W303 I305 I330	I252-I291 HydrophobicContact CD1-CB 4.07Å; I252-I291 HydrophobicContact CD1-CG2 3.62Å; P257-I291 VanDerWaalsContact CA-O 3.27Å; P257-I291 WeakPolarHBondContact CA-O 3.48Å; P257-I291 WeakPolarHBondContact CB-O 3.01Å; V258-I291 HydrophobicContact CG2-CB 3.86Å; V258-I291 HydrophobicContact CG2-CD1 4.37Å; V258-I291 HydrophobicContact CG2-CG1 4.31Å; V258-I291 PolarHBondContact N-O 2.86Å; V258-I291 VanDerWaalsContact N-O 3.1Å; V258-I291 PolarHBondContact O-N 3.05Å; A260-I291 HydrophobicContact CB-CD1 3.66Å; A260-I291 HydrophobicContact CB-CG1 4.02Å; I289-I291 HydrophobicContact CD1-CD1 4.37Å; I289-I291 HydrophobicContact CD1-CG1 3.54Å; I291-W303 HydrophobicContact CG2-CB 4.17Å; I291-W303 HydrophobicContact CG2-CD2 4.2Å; I291-W303 HydrophobicContact CG2-CE3 3.76Å; I291-W303 HydrophobicContact CG2-CG 4.41Å; I291-I305 HydrophobicContact CG1-CD1 4.35Å; I291-I305 HydrophobicContact CG1-CG1 4.19Å; I291-I305 HydrophobicContact CG2-CG1 4.46Å; I291-I330 HydrophobicContact CD1-CG1 4.41Å
292	I	98.9	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-7.4	-176.1	65.7	154.5	0	0	0	113.4	S95 R96 P257 R290 L304 A306 Y318	S95-I292 WeakPolarHBondContact CB-O 3.36Å; S95-I292 PolarHBondContact N-O 2.99Å; S95-I292 PolarHBondContact OG-O 3.15Å; R96-I292 HydrophobicContact CG-CD1 4.11Å; P257-I292 HydrophobicContact CB-CG2 3.98Å; P257-I292 HydrophobicContact CG-CB 4.22Å; P257-I292 HydrophobicContact CG-CG2 3.9Å; R290-I292 HydrophobicContact CG-CG2 4Å; I292-L304 HydrophobicContact CD1-CD2 3.65Å; I292-L304 HydrophobicContact CD1-CG 3.91Å; I292-L304 HydrophobicContact CG1-CB 4.33Å; I292-L304 HydrophobicContact CG1-CD2 3.83Å; I292-L304 HydrophobicContact CG1-CG 3.71Å; I292-L304 WeakPolarHBondContact CG1-O 3.25Å; I292-L304 PolarHBondContact N-O 2.85Å; I292-A306 HydrophobicContact CG2-CB 4.44Å; I292-Y318 HydrophobicContact CD1-CD1 4.07Å; I292-Y318 HydrophobicContact CD1-CE1 3.59Å
293	G	98.9	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-166.6	-176.8	0	0	0	0	0	113.7	F93 L304	F93-G293 CarbonylContact O-C 3.17Å; F93-G293 WeakPolarHBondContact O-CA 3.45Å; G293-L304 PolarHBondContact N-O 2.89Å; G293-L304 PolarHBondContact O-N 2.66Å
294	W	98.9	Very high	98.2	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	166.4	-180	62.8	90	0	0	0	110.9	I89 P90 N92 F93 Q249 I252 M253 Y302 W303	I89-W294 HydrophobicContact CG2-CH2 4.32Å; I89-W294 HydrophobicContact CG2-CZ2 3.51Å; P90-W294 HydrophobicContact CG-CZ2 4.12Å; P90-W294 PolarHBondContact O-NE1 2.87Å; N92-W294 WeakPolarHBondContact CA-O 3.43Å; F93-W294 HydrophobicContact CB-CD2 3.65Å; F93-W294 VanDerWaalsContact CB-CE2 3.4Å; F93-W294 HydrophobicContact CB-CE3 3.78Å; F93-W294 HydrophobicContact CB-CG 4.44Å; F93-W294 HydrophobicContact CB-CH2 3.58Å; F93-W294 HydrophobicContact CB-CZ2 3.37Å; F93-W294 HydrophobicContact CB-CZ3 3.74Å; F93-W294 HydrophobicContact CD1-CE3 4.1Å; F93-W294 AromaticContact CD1-CH2 3.99Å; F93-W294 HydrophobicContact CD1-CH2 3.99Å; F93-W294 AromaticContact CD1-CZ3 3.64Å; F93-W294 HydrophobicContact CD1-CZ3 3.64Å; F93-W294 HydrophobicContact CD2-CH2 4.22Å; F93-W294 HydrophobicContact CD2-CZ2 4.48Å; F93-W294 HydrophobicContact CE1-CZ3 4.47Å; F93-W294 HydrophobicContact CG-CE3 4.25Å; F93-W294 AromaticContact CG-CH2 3.66Å; F93-W294 HydrophobicContact CG-CH2 3.66Å; F93-W294 AromaticContact CG-CZ2 3.95Å; F93-W294 HydrophobicContact CG-CZ2 3.95Å; F93-W294 AromaticContact CG-CZ3 3.78Å; F93-W294 HydrophobicContact CG-CZ3 3.78Å; F93-W294 PolarHBondContact N-O 3.4Å; F93-W294 PolarHBondContact O-N 2.98Å; F93-W294 VanDerWaalsContact O-O 3.11Å; Q249-W294 HydrophobicContact CB-CD2 4.49Å; Q249-W294 HydrophobicContact CB-CE3 4.34Å; Q249-W294 HydrophobicContact CB-CH2 3.7Å; Q249-W294 HydrophobicContact CB-CZ2 3.93Å; Q249-W294 HydrophobicContact CB-CZ3 3.97Å; Q249-W294 HydrophobicContact CG-CD2 3.82Å; Q249-W294 HydrophobicContact CG-CE3 3.96Å; Q249-W294 HydrophobicContact CG-CG 4.37Å; Q249-W294 HydrophobicContact CG-CH2 4.1Å; Q249-W294 HydrophobicContact CG-CZ2 4.03Å; Q249-W294 HydrophobicContact CG-CZ3 4.1Å; Q249-W294 WeakPolarHBondContact O-CH2 3.23Å; Q249-W294 WeakPolarHBondContact O-CZ3 3.44Å; I252-W294 HydrophobicContact CB-CZ3 3.96Å; I252-W294 HydrophobicContact CG2-CE3 4.48Å; I252-W294 HydrophobicContact CG2-CZ3 3.89Å; M253-W294 HydrophobicContact CB-CH2 3.8Å; M253-W294 HydrophobicContact CG-CH2 4.21Å; M253-W294 HydrophobicContact SD-CH2 4.19Å; M253-W294 HydrophobicContact SD-CZ2 4.47Å; W294-Y302 VanDerWaalsContact CA-O 3.23Å; W294-Y302 WeakPolarHBondContact CA-O 3.2Å; W294-Y302 VanDerWaalsContact CB-O 3.22Å; W294-Y302 WeakPolarHBondContact CB-O 3.34Å; W294-W303 HydrophobicContact CB-CE3 3.84Å; W294-W303 HydrophobicContact CB-CZ3 4.03Å; W294-W303 HydrophobicContact CD2-CZ3 4.42Å; W294-W303 HydrophobicContact CE3-CZ3 4Å; W294-W303 HydrophobicContact CG-CZ3 4.48Å
295	G	98.8	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-170.7	171.4	0	0	0	0	0	112.7	N92 P301 Y302 R323	N92-G295 WeakPolarHBondContact OD1-CA 3.21Å; G295-P301 WeakPolarHBondContact O-CA 3.36Å; G295-Y302 VanDerWaalsContact CA-CZ 3.47Å; G295-Y302 PolarHBondContact N-O 2.81Å; G295-Y302 VanDerWaalsContact N-O 3.07Å; G295-Y302 WeakPolarHBondContact O-CD1 3.3Å; G295-Y302 PolarHBondContact O-N 2.61Å; G295-R323 PolarHBondContact O-NH2 2.75Å
296	V	98.6	Very high	98.4	Very high	63 Å²	63	31.9 Å²	31.9	38%	0.382	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.1	172.4	-178.1	0	0	0	0	108	N92 T300	N92-V296 PolarHBondContact OD1-N 2.87Å; N92-V296 VanDerWaalsContact OD1-N 3.17Å; V296-T300 WeakPolarHBondContact CA-O 3.47Å
297	E	97.9	Very high	98.4	Very high	78 Å²	78	30.8 Å²	30.8	36%	0.364	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.6	172.4	176.7	178.3	-98.5	0	0	108.3	I275 K299 T300 Y302 R320	I275-E297 HydrophobicContact CD1-CB 4.08Å; E297-K299 VanDerWaalsContact C-N 3.27Å; E297-K299 PolarHBondContact O-N 3.32Å; E297-T300 PolarHBondContact N-O 3.49Å; E297-T300 WeakPolarHBondContact O-CA 3.4Å; E297-T300 WeakPolarHBondContact O-CB 3.47Å; E297-T300 PolarHBondContact O-N 3.12Å; E297-Y302 HydrophobicContact CB-CD1 4.4Å; E297-Y302 HydrophobicContact CB-CE1 4.02Å; E297-R320 IonicContact OE1-NH1 2.57Å; E297-R320 PolarHBondContact OE1-NH1 2.89Å; E297-R320 VanDerWaalsContact OE1-NH1 3.15Å; E297-R320 IonicContact OE2-CZ 3.51Å; E297-R320 IonicContact OE2-NH1 3.78Å; E297-R320 PolarHBondContact OE2-NH1 2.77Å; E297-R320 IonicContact OE2-NH2 2.71Å
298	N	95.3	Very high	98.4	Very high	147 Å²	147	30.9 Å²	30.9	79%	0.786	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	46.7	-178.1	-59.8	-30.8	0	0	0	113.4	T300	N298-T300 PolarHBondContact O-N 3.43Å; N298-T300 VanDerWaalsContact O-N 3.12Å
299	K	96.3	Very high	98.3	Very high	201 Å²	201	31 Å²	31	87%	0.874	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	3.5	-175.6	-53.6	175.9	179.4	176.1	0	115.5	E297 P301	E297-K299 VanDerWaalsContact C-N 3.27Å; E297-K299 PolarHBondContact O-N 3.32Å; K299-P301 WeakPolarHBondContact O-CD 3.48Å
300	T	97.9	Very high	98.1	Very high	54 Å²	54	30.9 Å²	30.9	33%	0.331	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116	178.5	-55.5	0	0	0	0	110	I275 V296 E297 N298 V322	I275-T300 HydrophobicContact CB-CG2 4.41Å; I275-T300 HydrophobicContact CD1-CG2 3.69Å; I275-T300 HydrophobicContact CG2-CG2 4.03Å; V296-T300 WeakPolarHBondContact CA-O 3.47Å; E297-T300 PolarHBondContact N-O 3.49Å; E297-T300 WeakPolarHBondContact O-CA 3.4Å; E297-T300 WeakPolarHBondContact O-CB 3.47Å; E297-T300 PolarHBondContact O-N 3.12Å; N298-T300 PolarHBondContact O-N 3.43Å; N298-T300 VanDerWaalsContact O-N 3.12Å; T300-V322 HydrophobicContact CG2-CG2 4.37Å
301	P	98.7	Very high	97.8	Very high	43 Å²	43	32.7 Å²	32.7	28%	0.279	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.5	174.6	29.9	-33.9	0	0	0	111	G295 K299 R323	G295-P301 WeakPolarHBondContact O-CA 3.36Å; K299-P301 WeakPolarHBondContact O-CD 3.48Å; P301-R323 HydrophobicContact CB-CB 4.33Å; P301-R323 WeakPolarHBondContact CG-O 3.4Å; P301-R323 PolarHBondContact O-N 3.38Å
302	Y	98.9	Very high	97.4	Very high	36 Å²	36	34.9 Å²	34.9	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157	178.6	65.9	-95.9	0	0	0	113.2	I275 W294 G295 E297 L304 R320 I321 R323	I275-Y302 HydrophobicContact CD1-CD1 3.67Å; I275-Y302 HydrophobicContact CD1-CG 4.22Å; I275-Y302 HydrophobicContact CG1-CD1 4.09Å; I275-Y302 HydrophobicContact CG1-CG 4.24Å; W294-Y302 VanDerWaalsContact CA-O 3.23Å; W294-Y302 WeakPolarHBondContact CA-O 3.2Å; W294-Y302 VanDerWaalsContact CB-O 3.22Å; W294-Y302 WeakPolarHBondContact CB-O 3.34Å; G295-Y302 VanDerWaalsContact CA-CZ 3.47Å; G295-Y302 PolarHBondContact N-O 2.81Å; G295-Y302 VanDerWaalsContact N-O 3.07Å; G295-Y302 WeakPolarHBondContact O-CD1 3.3Å; G295-Y302 PolarHBondContact O-N 2.61Å; E297-Y302 HydrophobicContact CB-CD1 4.4Å; E297-Y302 HydrophobicContact CB-CE1 4.02Å; Y302-L304 HydrophobicContact CE2-CB 4.28Å; Y302-R320 HydrophobicContact CD2-CB 3.9Å; Y302-R320 HydrophobicContact CD2-CG 3.63Å; Y302-R320 VanDerWaalsContact CE2-CD 3.48Å; Y302-R320 HydrophobicContact CE2-CG 3.89Å; Y302-R320 HydrophobicContact CG-CB 4.13Å; Y302-R320 HydrophobicContact CG-CG 4.28Å; Y302-I321 CarbonylContact C-O 3.58Å; Y302-I321 WeakPolarHBondContact CA-O 3.43Å; Y302-I321 WeakPolarHBondContact CB-O 3.38Å; Y302-R323 PolarHBondContact O-NE 3.4Å
303	W	98.9	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.3	159.4	-66.2	116.3	0	0	0	109.8	E245 I248 Q249 I252 I291 W294 I305 R320 I321 R323 E331	E245-W303 HydrophobicContact CG-CH2 4.44Å; E245-W303 HydrophobicContact CG-CZ2 4.12Å; I248-W303 HydrophobicContact CB-CH2 3.76Å; I248-W303 HydrophobicContact CB-CZ2 4.13Å; I248-W303 HydrophobicContact CD1-CZ2 4.37Å; I248-W303 HydrophobicContact CG2-CH2 3.44Å; I248-W303 VanDerWaalsContact CG2-CH2 3.44Å; I248-W303 HydrophobicContact CG2-CZ2 3.89Å; I248-W303 HydrophobicContact CG2-CZ3 3.91Å; Q249-W303 HydrophobicContact CG-CH2 3.65Å; Q249-W303 HydrophobicContact CG-CZ3 3.88Å; I252-W303 HydrophobicContact CD1-CZ3 4.11Å; I291-W303 HydrophobicContact CG2-CB 4.17Å; I291-W303 HydrophobicContact CG2-CD2 4.2Å; I291-W303 HydrophobicContact CG2-CE3 3.76Å; I291-W303 HydrophobicContact CG2-CG 4.41Å; W294-W303 HydrophobicContact CB-CE3 3.84Å; W294-W303 HydrophobicContact CB-CZ3 4.03Å; W294-W303 HydrophobicContact CD2-CZ3 4.42Å; W294-W303 HydrophobicContact CE3-CZ3 4Å; W294-W303 HydrophobicContact CG-CZ3 4.48Å; W303-I305 HydrophobicContact CB-CD1 4.1Å; W303-I305 HydrophobicContact CB-CG1 4.04Å; W303-R320 VanDerWaalsContact O-CA 3.25Å; W303-R320 WeakPolarHBondContact O-CA 3.29Å; W303-I321 HydrophobicContact CB-CG2 4Å; W303-I321 PolarHBondContact N-O 2.61Å; W303-I321 PolarHBondContact O-N 2.97Å; W303-R323 HydrophobicContact CD2-CB 4.1Å; W303-R323 HydrophobicContact CD2-CG 3.97Å; W303-R323 VanDerWaalsContact CE2-CD 3.5Å; W303-R323 VanDerWaalsContact CE2-CG 3.43Å; W303-R323 HydrophobicContact CG-CB 3.98Å; W303-R323 HydrophobicContact CG-CG 4.38Å; W303-R323 HydrophobicContact CH2-CG 4.3Å; W303-R323 HydrophobicContact CZ2-CG 3.63Å; W303-E331 HydrophobicContact CZ2-CG 4.27Å; W303-E331 PolarHBondContact NE1-OE1 3Å
304	L	98.9	Very high	97	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.099	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.4	171.4	175.5	64.4	0	0	0	108.8	I292 G293 Y302 Y318 R320	I292-L304 HydrophobicContact CD1-CD2 3.65Å; I292-L304 HydrophobicContact CD1-CG 3.91Å; I292-L304 HydrophobicContact CG1-CB 4.33Å; I292-L304 HydrophobicContact CG1-CD2 3.83Å; I292-L304 HydrophobicContact CG1-CG 3.71Å; I292-L304 WeakPolarHBondContact CG1-O 3.25Å; I292-L304 PolarHBondContact N-O 2.85Å; G293-L304 PolarHBondContact N-O 2.89Å; G293-L304 PolarHBondContact O-N 2.66Å; Y302-L304 HydrophobicContact CE2-CB 4.28Å; L304-Y318 HydrophobicContact CD1-CD1 4.4Å; L304-R320 HydrophobicContact CD1-CG 4.13Å
305	I	98.9	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.6	-167.2	-58.4	-178.1	0	0	0	110.7	I289 R290 I291 W303 Y318 F319 I321 I330	I289-I305 HydrophobicContact CB-CG2 3.53Å; I289-I305 HydrophobicContact CD1-CD1 4.08Å; I289-I305 HydrophobicContact CD1-CG1 4.44Å; I289-I305 HydrophobicContact CD1-CG2 3.6Å; I289-I305 HydrophobicContact CG1-CD1 4.41Å; I289-I305 HydrophobicContact CG1-CG2 3.61Å; I289-I305 HydrophobicContact CG2-CG2 4.2Å; R290-I305 WeakPolarHBondContact O-CA 3.36Å; I291-I305 HydrophobicContact CG1-CD1 4.35Å; I291-I305 HydrophobicContact CG1-CG1 4.19Å; I291-I305 HydrophobicContact CG2-CG1 4.46Å; W303-I305 HydrophobicContact CB-CD1 4.1Å; W303-I305 HydrophobicContact CB-CG1 4.04Å; I305-Y318 CarbonylContact O-C 3.55Å; I305-Y318 WeakPolarHBondContact O-CA 3.2Å; I305-Y318 WeakPolarHBondContact O-CB 3.37Å; I305-F319 HydrophobicContact CB-CD1 3.94Å; I305-F319 HydrophobicContact CB-CE1 3.64Å; I305-F319 HydrophobicContact CB-CE2 4.25Å; I305-F319 HydrophobicContact CB-CG 4.4Å; I305-F319 HydrophobicContact CB-CZ 3.8Å; I305-F319 HydrophobicContact CD1-CE1 4.46Å; I305-F319 HydrophobicContact CD1-CE2 3.79Å; I305-F319 HydrophobicContact CD1-CZ 3.73Å; I305-F319 HydrophobicContact CG1-CZ 4.35Å; I305-F319 HydrophobicContact CG2-CD1 3.93Å; I305-F319 HydrophobicContact CG2-CE1 3.19Å; I305-F319 HydrophobicContact CG2-CE2 4.39Å; I305-F319 HydrophobicContact CG2-CZ 3.48Å; I305-F319 VanDerWaalsContact CG2-CZ 3.48Å; I305-F319 PolarHBondContact N-O 3.49Å; I305-F319 PolarHBondContact O-N 3.25Å; I305-I321 HydrophobicContact CD1-CB 4.49Å; I305-I321 HydrophobicContact CD1-CG2 3.37Å; I305-I321 HydrophobicContact CG1-CG2 4.44Å; I305-I330 HydrophobicContact CD1-CD1 3.75Å; I305-I330 HydrophobicContact CD1-CG1 4.16Å
306	A	98.9	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.9	167	0	0	0	0	0	109.6	I108 R290 I292 Y318	I108-A306 HydrophobicContact CD1-CB 3.67Å; R290-A306 HydrophobicContact CB-CB 4.48Å; R290-A306 PolarHBondContact N-O 3.49Å; R290-A306 PolarHBondContact O-N 3.3Å; I292-A306 HydrophobicContact CG2-CB 4.44Å; A306-Y318 HydrophobicContact CB-CD1 4.05Å; A306-Y318 HydrophobicContact CB-CE1 3.92Å
307	N	98.3	Very high	96.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.201	C	C	.	.			trans	-92.8	169.1	173.5	-157.6	-4.2	0	0	0	110.5	H287 W309 W313 G317 F319	H287-N307 PolarHBondContact NE2-OD1 2.72Å; N307-W309 WeakPolarHBondContact ND2-CZ3 3.37Å; N307-W313 HydrophobicContact CB-CE3 3.84Å; N307-W313 HydrophobicContact CB-CZ3 3.67Å; N307-W313 VanDerWaalsContact ND2-CE3 3.34Å; N307-W313 VanDerWaalsContact ND2-CH2 3.34Å; N307-W313 WeakPolarHBondContact ND2-CH2 3.18Å; N307-W313 WeakPolarHBondContact ND2-CZ3 2.89Å; N307-G317 WeakPolarHBondContact CB-O 3.47Å; N307-G317 PolarHBondContact N-O 3.3Å; N307-F319 HydrophobicContact CB-CD1 4.17Å; N307-F319 HydrophobicContact CB-CE1 4.2Å
308	S	97.9	Very high	96.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	19%	0.185	C	C	.	.	S	Bend	trans	-112.3	32.6	-179.6	48.1	0	0	0	0	112.2	R109 D110 Q111	R109-S308 CarbonylContact O-C 3.51Å; R109-S308 WeakPolarHBondContact O-CA 3.3Å; D110-S308 CarbonylContact C-O 3.6Å; D110-S308 VanDerWaalsContact CA-O 3.3Å; D110-S308 WeakPolarHBondContact CA-O 3.36Å; Q111-S308 PolarHBondContact N-O 2.95Å; Q111-S308 PolarHBondContact OE1-OG 2.99Å
309	W	96.1	Very high	96.9	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-119.2	37.7	-178.2	-70.1	-9.8	0	0	0	110.4	F53 Q62 M63 R109 H197 F268 H287 N307 W313	F53-W309 HydrophobicContact CE2-CE3 4.04Å; F53-W309 HydrophobicContact CE2-CH2 4.07Å; F53-W309 AromaticContact CE2-CZ3 3.71Å; F53-W309 HydrophobicContact CE2-CZ3 3.71Å; F53-W309 AromaticContact CZ-CD2 3.9Å; F53-W309 HydrophobicContact CZ-CD2 3.9Å; F53-W309 AromaticContact CZ-CE2 3.92Å; F53-W309 AromaticContact CZ-CE3 3.68Å; F53-W309 HydrophobicContact CZ-CE3 3.68Å; F53-W309 AromaticContact CZ-CH2 3.62Å; F53-W309 HydrophobicContact CZ-CH2 3.62Å; F53-W309 AromaticContact CZ-CZ2 3.81Å; F53-W309 HydrophobicContact CZ-CZ2 3.81Å; F53-W309 AromaticContact CZ-CZ3 3.55Å; F53-W309 HydrophobicContact CZ-CZ3 3.55Å; Q62-W309 PolarHBondContact O-NE1 2.7Å; M63-W309 HydrophobicContact CG-CZ2 4.13Å; R109-W309 PolarHBondContact O-N 2.91Å; H197-W309 PolarHBondContact CE1-O 2.96Å; H197-W309 PolarHBondContact NE2-O 3.49Å; F268-W309 HydrophobicContact CD1-CH2 4.29Å; F268-W309 HydrophobicContact CD1-CZ3 4.29Å; F268-W309 AromaticContact CE1-CH2 3.96Å; F268-W309 HydrophobicContact CE1-CH2 3.96Å; F268-W309 AromaticContact CE1-CZ3 3.78Å; F268-W309 HydrophobicContact CE1-CZ3 3.78Å; H287-W309 AromaticContact CE1-CE2 3.88Å; H287-W309 AromaticContact CE1-CZ2 3.87Å; H287-W309 AromaticContact CE1-NE1 3.72Å; H287-W309 AromaticContact NE2-CE2 3.77Å; H287-W309 AromaticContact NE2-CZ2 3.7Å; H287-W309 AromaticContact NE2-NE1 3.97Å; N307-W309 WeakPolarHBondContact ND2-CZ3 3.37Å; W309-W313 HydrophobicContact CB-CB 4.24Å; W309-W313 HydrophobicContact CB-CG 4.26Å; W309-W313 AromaticContact CE3-CD1 3.92Å; W309-W313 AromaticContact CE3-CD2 3.84Å; W309-W313 HydrophobicContact CE3-CD2 3.84Å; W309-W313 AromaticContact CE3-CE2 3.53Å; W309-W313 HydrophobicContact CE3-CG 4.08Å; W309-W313 AromaticContact CE3-CZ2 3.99Å; W309-W313 HydrophobicContact CE3-CZ2 3.99Å; W309-W313 AromaticContact CE3-NE1 3.56Å; W309-W313 HydrophobicContact CZ3-CD2 4.49Å; W309-W313 AromaticContact CZ3-CE2 3.74Å; W309-W313 AromaticContact CZ3-CZ2 3.81Å; W309-W313 HydrophobicContact CZ3-CZ2 3.81Å; W309-W313 AromaticContact CZ3-NE1 3.79Å; W309-W313 WeakPolarHBondContact O-CB 3.11Å
310	N	93.9	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	175.7	-177.2	82.2	44.3	0	0	0	116.5	R109 D110 C195 H197 D312 G317	R109-N310 WeakPolarHBondContact O-CA 3.26Å; R109-N310 PolarHBondContact O-N 3.31Å; D110-N310 HydrophobicContact CB-CB 3.95Å; D110-N310 PolarHBondContact OD2-ND2 2.8Å; C195-N310 PolarHBondContact O-ND2 3.27Å; H197-N310 PolarHBondContact CD2-ND2 2.89Å; H197-N310 PolarHBondContact CD2-OD1 3.29Å; H197-N310 PolarHBondContact NE2-ND2 2.96Å; H197-N310 PolarHBondContact NE2-OD1 3.02Å; N310-D312 VanDerWaalsContact C-N 3.33Å; N310-D312 PolarHBondContact O-N 3.47Å; N310-D312 WeakPolarHBondContact OD1-CB 3.25Å; N310-D312 PolarHBondContact OD1-N 3.41Å; N310-G317 WeakPolarHBondContact O-CA 2.96Å
311	E	94	Very high	97.1	Very high	38 Å²	38	18.6 Å²	18.6	18%	0.178	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.6	-172.8	59.7	-95.4	-135	0	0	114.7	K194 K202 Y203 W313 N316 G317	K194-E311 IonicContact NZ-OE2 3.15Å; K194-E311 PolarHBondContact NZ-OE2 3.11Å; K194-E311 VanDerWaalsContact NZ-OE2 3.11Å; K202-E311 WeakPolarHBondContact CE-OE1 3.45Å; K202-E311 VanDerWaalsContact NZ-CD 3.29Å; K202-E311 VanDerWaalsContact NZ-CG 3.32Å; K202-E311 IonicContact NZ-OE1 3.38Å; K202-E311 PolarHBondContact NZ-OE1 3.42Å; Y203-E311 PolarHBondContact OH-OE1 2.87Å; E311-W313 VanDerWaalsContact C-N 3.34Å; E311-N316 CarbonylContact O-C 3.11Å; E311-N316 WeakPolarHBondContact O-CA 3.41Å; E311-G317 PolarHBondContact O-N 2.93Å
312	D	90.9	Very high	97.1	Very high	47 Å²	47	17.1 Å²	17.1	25%	0.251	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.2	-178.5	-59.1	-43.1	0	0	0	111.2	H197 H198 N310	H197-D312 HydrophobicContact CB-CB 4.02Å; H198-D312 PolarHBondContact CD2-O 3.39Å; H198-D312 PolarHBondContact NE2-O 2.83Å; N310-D312 VanDerWaalsContact C-N 3.33Å; N310-D312 PolarHBondContact O-N 3.47Å; N310-D312 WeakPolarHBondContact OD1-CB 3.25Å; N310-D312 PolarHBondContact OD1-N 3.41Å
313	W	93.7	Very high	97.1	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.015	8%	0.081	C	C	.	.	S	Bend	trans	-76.8	140.7	176.6	-174.9	80.5	0	0	0	113	H197 F268 Y271 N307 W309 E311 E315 G317 F319	H197-W313 AromaticContact ND1-CD1 3.91Å; F268-W313 HydrophobicContact CD1-CZ2 4.47Å; F268-W313 AromaticContact CE1-CH2 3.91Å; F268-W313 HydrophobicContact CE1-CH2 3.91Å; F268-W313 AromaticContact CE1-CZ2 3.68Å; F268-W313 HydrophobicContact CE1-CZ2 3.68Å; F268-W313 HydrophobicContact CE2-CH2 4.15Å; F268-W313 HydrophobicContact CE2-CZ2 4.36Å; F268-W313 AromaticContact CZ-CH2 3.42Å; F268-W313 HydrophobicContact CZ-CH2 3.42Å; F268-W313 VanDerWaalsContact CZ-CH2 3.42Å; F268-W313 AromaticContact CZ-CZ2 3.64Å; F268-W313 HydrophobicContact CZ-CZ2 3.64Å; Y271-W313 AromaticContact CD1-CH2 3.73Å; Y271-W313 HydrophobicContact CD1-CH2 3.73Å; Y271-W313 AromaticContact CD1-CZ2 3.91Å; Y271-W313 HydrophobicContact CD1-CZ2 3.91Å; Y271-W313 HydrophobicContact CD1-CZ3 4.37Å; Y271-W313 HydrophobicContact CE1-CH2 4.32Å; Y271-W313 HydrophobicContact CG-CH2 4.5Å; Y271-W313 HydrophobicContact CG-CZ2 4.46Å; N307-W313 HydrophobicContact CB-CE3 3.84Å; N307-W313 HydrophobicContact CB-CZ3 3.67Å; N307-W313 VanDerWaalsContact ND2-CE3 3.34Å; N307-W313 VanDerWaalsContact ND2-CH2 3.34Å; N307-W313 WeakPolarHBondContact ND2-CH2 3.18Å; N307-W313 WeakPolarHBondContact ND2-CZ3 2.89Å; W309-W313 HydrophobicContact CB-CB 4.24Å; W309-W313 HydrophobicContact CB-CG 4.26Å; W309-W313 AromaticContact CE3-CD1 3.92Å; W309-W313 AromaticContact CE3-CD2 3.84Å; W309-W313 HydrophobicContact CE3-CD2 3.84Å; W309-W313 AromaticContact CE3-CE2 3.53Å; W309-W313 HydrophobicContact CE3-CG 4.08Å; W309-W313 AromaticContact CE3-CZ2 3.99Å; W309-W313 HydrophobicContact CE3-CZ2 3.99Å; W309-W313 AromaticContact CE3-NE1 3.56Å; W309-W313 HydrophobicContact CZ3-CD2 4.49Å; W309-W313 AromaticContact CZ3-CE2 3.74Å; W309-W313 AromaticContact CZ3-CZ2 3.81Å; W309-W313 HydrophobicContact CZ3-CZ2 3.81Å; W309-W313 AromaticContact CZ3-NE1 3.79Å; W309-W313 WeakPolarHBondContact O-CB 3.11Å; E311-W313 VanDerWaalsContact C-N 3.34Å; W313-E315 PolarHBondContact O-N 2.74Å; W313-G317 VanDerWaalsContact O-CA 3.23Å; W313-G317 WeakPolarHBondContact O-CA 3.25Å; W313-G317 PolarHBondContact O-N 2.74Å; W313-F319 HydrophobicContact CH2-CB 3.75Å; W313-F319 AromaticContact CH2-CD1 3.79Å; W313-F319 HydrophobicContact CH2-CD1 3.79Å; W313-F319 AromaticContact CH2-CG 3.87Å; W313-F319 HydrophobicContact CH2-CG 3.87Å; W313-F319 HydrophobicContact CZ3-CB 3.79Å; W313-F319 AromaticContact CZ3-CD1 3.68Å; W313-F319 HydrophobicContact CZ3-CD1 3.68Å; W313-F319 HydrophobicContact CZ3-CG 4.05Å
314	G	95.5	Very high	97	Very high	6 Å²	6	18 Å²	18	6%	0.062	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-132	171.7	0	0	0	0	0	113.5	K272 N316	K272-G314 CarbonylContact O-C 3.54Å; K272-G314 WeakPolarHBondContact O-CA 3.18Å; G314-N316 PolarHBondContact O-N 2.91Å
315	E	97.1	Very high	97	Very high	48 Å²	48	23.2 Å²	23.2	22%	0.224	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-93.6	70.1	-179.2	-58.2	-174.5	145.2	0	0	110.4	Y271 S273 G274 W313 G317 Y318 R320	Y271-E315 HydrophobicContact CE1-CG 4.27Å; Y271-E315 VanDerWaalsContact OH-CD 3.3Å; Y271-E315 PolarHBondContact OH-OE2 3.48Å; S273-E315 WeakPolarHBondContact CA-OE1 3.34Å; S273-E315 WeakPolarHBondContact CB-OE1 3.23Å; G274-E315 PolarHBondContact N-OE1 2.85Å; W313-E315 PolarHBondContact O-N 2.74Å; E315-G317 PolarHBondContact O-N 3.15Å; E315-Y318 WeakPolarHBondContact CB-O 3.26Å; E315-Y318 PolarHBondContact N-O 3.22Å; E315-Y318 WeakPolarHBondContact O-CB 3.19Å; E315-Y318 WeakPolarHBondContact O-CD2 3.26Å; E315-Y318 PolarHBondContact O-N 3.15Å; E315-Y318 VanDerWaalsContact O-N 3.16Å; E315-R320 IonicContact OE1-CZ 3.18Å; E315-R320 IonicContact OE1-NE 2.75Å; E315-R320 IonicContact OE1-NH2 3.53Å; E315-R320 PolarHBondContact OE1-NH2 3.25Å; E315-R320 IonicContact OE2-CZ 2.92Å; E315-R320 IonicContact OE2-NE 3.51Å; E315-R320 PolarHBondContact OE2-NE 3.04Å; E315-R320 IonicContact OE2-NH2 3.94Å
316	N	95.8	Very high	97	Very high	110 Å²	110	25 Å²	25	59%	0.588	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	41.6	-176.3	-169.5	51.9	0	0	0	113	E311 G314 Y318	E311-N316 CarbonylContact O-C 3.11Å; E311-N316 WeakPolarHBondContact O-CA 3.41Å; G314-N316 PolarHBondContact O-N 2.91Å; N316-Y318 VanDerWaalsContact C-N 3.3Å; N316-Y318 VanDerWaalsContact O-CD2 3.23Å; N316-Y318 WeakPolarHBondContact O-CD2 3.31Å; N316-Y318 WeakPolarHBondContact O-CE2 3.41Å
317	G	96.5	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-1.8	-175.1	0	0	0	0	0	115.3	N307 N310 E311 W313 E315	N307-G317 WeakPolarHBondContact CB-O 3.47Å; N307-G317 PolarHBondContact N-O 3.3Å; N310-G317 WeakPolarHBondContact O-CA 2.96Å; E311-G317 PolarHBondContact O-N 2.93Å; W313-G317 VanDerWaalsContact O-CA 3.23Å; W313-G317 WeakPolarHBondContact O-CA 3.25Å; W313-G317 PolarHBondContact O-N 2.74Å; E315-G317 PolarHBondContact O-N 3.15Å
318	Y	98.7	Very high	97	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.039	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	164.5	174.2	-57.7	-96.2	0	0	0	110.9	R96 A106 I108 I292 L304 I305 A306 E315 N316	R96-Y318 VanDerWaalsContact NH1-CZ 3.29Å; A106-Y318 WeakPolarHBondContact CA-OH 3.31Å; A106-Y318 PolarHBondContact O-OH 3.16Å; I108-Y318 HydrophobicContact CD1-CD1 4.25Å; I108-Y318 HydrophobicContact CD1-CD2 4.14Å; I108-Y318 HydrophobicContact CD1-CE1 3.85Å; I108-Y318 HydrophobicContact CD1-CE2 3.71Å; I108-Y318 HydrophobicContact CD1-CG 4.39Å; I108-Y318 HydrophobicContact CG1-CD2 4.37Å; I108-Y318 HydrophobicContact CG1-CE2 3.77Å; I292-Y318 HydrophobicContact CD1-CD1 4.07Å; I292-Y318 HydrophobicContact CD1-CE1 3.59Å; L304-Y318 HydrophobicContact CD1-CD1 4.4Å; I305-Y318 CarbonylContact O-C 3.55Å; I305-Y318 WeakPolarHBondContact O-CA 3.2Å; I305-Y318 WeakPolarHBondContact O-CB 3.37Å; A306-Y318 HydrophobicContact CB-CD1 4.05Å; A306-Y318 HydrophobicContact CB-CE1 3.92Å; E315-Y318 WeakPolarHBondContact CB-O 3.26Å; E315-Y318 PolarHBondContact N-O 3.22Å; E315-Y318 WeakPolarHBondContact O-CB 3.19Å; E315-Y318 WeakPolarHBondContact O-CD2 3.26Å; E315-Y318 PolarHBondContact O-N 3.15Å; E315-Y318 VanDerWaalsContact O-N 3.16Å; N316-Y318 VanDerWaalsContact C-N 3.3Å; N316-Y318 VanDerWaalsContact O-CD2 3.23Å; N316-Y318 WeakPolarHBondContact O-CD2 3.31Å; N316-Y318 WeakPolarHBondContact O-CE2 3.41Å
319	F	98.8	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	167.3	162.7	67.8	-75.4	0	0	0	109.9	F262 F268 Y271 I289 I305 N307 W313 I321	F262-F319 AromaticContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CZ-CE2 4.29Å; F262-F319 AromaticContact CZ-CZ 3.98Å; F262-F319 HydrophobicContact CZ-CZ 3.98Å; F268-F319 AromaticContact CE2-CD2 3.74Å; F268-F319 HydrophobicContact CE2-CD2 3.74Å; F268-F319 AromaticContact CE2-CE2 3.84Å; F268-F319 HydrophobicContact CE2-CE2 3.84Å; F268-F319 HydrophobicContact CE2-CG 4.28Å; F268-F319 HydrophobicContact CE2-CZ 4.45Å; F268-F319 HydrophobicContact CZ-CD1 4.34Å; F268-F319 AromaticContact CZ-CD2 3.95Å; F268-F319 HydrophobicContact CZ-CD2 3.95Å; F268-F319 HydrophobicContact CZ-CE1 4.26Å; F268-F319 AromaticContact CZ-CE2 3.88Å; F268-F319 HydrophobicContact CZ-CE2 3.88Å; F268-F319 HydrophobicContact CZ-CG 4.18Å; F268-F319 HydrophobicContact CZ-CZ 4.03Å; Y271-F319 HydrophobicContact CD1-CB 3.93Å; Y271-F319 HydrophobicContact CE1-CB 3.29Å; Y271-F319 HydrophobicContact CE2-CB 4.46Å; I289-F319 HydrophobicContact CG1-CZ 4.44Å; I289-F319 HydrophobicContact CG2-CE1 4.03Å; I289-F319 HydrophobicContact CG2-CZ 4.14Å; I305-F319 HydrophobicContact CB-CD1 3.94Å; I305-F319 HydrophobicContact CB-CE1 3.64Å; I305-F319 HydrophobicContact CB-CE2 4.25Å; I305-F319 HydrophobicContact CB-CG 4.4Å; I305-F319 HydrophobicContact CB-CZ 3.8Å; I305-F319 HydrophobicContact CD1-CE1 4.46Å; I305-F319 HydrophobicContact CD1-CE2 3.79Å; I305-F319 HydrophobicContact CD1-CZ 3.73Å; I305-F319 HydrophobicContact CG1-CZ 4.35Å; I305-F319 HydrophobicContact CG2-CD1 3.93Å; I305-F319 HydrophobicContact CG2-CE1 3.19Å; I305-F319 HydrophobicContact CG2-CE2 4.39Å; I305-F319 HydrophobicContact CG2-CZ 3.48Å; I305-F319 VanDerWaalsContact CG2-CZ 3.48Å; I305-F319 PolarHBondContact N-O 3.49Å; I305-F319 PolarHBondContact O-N 3.25Å; N307-F319 HydrophobicContact CB-CD1 4.17Å; N307-F319 HydrophobicContact CB-CE1 4.2Å; W313-F319 HydrophobicContact CH2-CB 3.75Å; W313-F319 AromaticContact CH2-CD1 3.79Å; W313-F319 HydrophobicContact CH2-CD1 3.79Å; W313-F319 AromaticContact CH2-CG 3.87Å; W313-F319 HydrophobicContact CH2-CG 3.87Å; W313-F319 HydrophobicContact CZ3-CB 3.79Å; W313-F319 AromaticContact CZ3-CD1 3.68Å; W313-F319 HydrophobicContact CZ3-CD1 3.68Å; W313-F319 HydrophobicContact CZ3-CG 4.05Å; F319-I321 HydrophobicContact CD2-CB 4.4Å; F319-I321 HydrophobicContact CE2-CB 4.17Å; F319-I321 HydrophobicContact CE2-CG2 4.36Å
320	R	98.9	Very high	97.1	Very high	26 Å²	26	28.1 Å²	28.1	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.3	173.6	-64.9	173.4	-73	149.9	-0	109	Y271 I275 Y276 E297 Y302 W303 L304 E315	Y271-R320 PolarHBondContact OH-N 3.48Å; I275-R320 CarbonylContact C-O 3.14Å; I275-R320 HydrophobicContact CG1-CB 4.31Å; Y276-R320 WeakPolarHBondContact CB-O 3.12Å; Y276-R320 PolarHBondContact N-O 2.96Å; E297-R320 IonicContact OE1-NH1 2.57Å; E297-R320 PolarHBondContact OE1-NH1 2.89Å; E297-R320 VanDerWaalsContact OE1-NH1 3.15Å; E297-R320 IonicContact OE2-CZ 3.51Å; E297-R320 IonicContact OE2-NH1 3.78Å; E297-R320 PolarHBondContact OE2-NH1 2.77Å; E297-R320 IonicContact OE2-NH2 2.71Å; Y302-R320 HydrophobicContact CD2-CB 3.9Å; Y302-R320 HydrophobicContact CD2-CG 3.63Å; Y302-R320 VanDerWaalsContact CE2-CD 3.48Å; Y302-R320 HydrophobicContact CE2-CG 3.89Å; Y302-R320 HydrophobicContact CG-CB 4.13Å; Y302-R320 HydrophobicContact CG-CG 4.28Å; W303-R320 VanDerWaalsContact O-CA 3.25Å; W303-R320 WeakPolarHBondContact O-CA 3.29Å; L304-R320 HydrophobicContact CD1-CG 4.13Å; E315-R320 IonicContact OE1-CZ 3.18Å; E315-R320 IonicContact OE1-NE 2.75Å; E315-R320 IonicContact OE1-NH2 3.53Å; E315-R320 PolarHBondContact OE1-NH2 3.25Å; E315-R320 IonicContact OE2-CZ 2.92Å; E315-R320 IonicContact OE2-NE 3.51Å; E315-R320 PolarHBondContact OE2-NE 3.04Å; E315-R320 IonicContact OE2-NH2 3.94Å
321	I	98.9	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.4	178.8	-171.8	169.3	0	0	0	109.4	F262 Y276 Y302 W303 I305 F319 R323 E327 C328 I330	F262-I321 HydrophobicContact CD2-CD1 4.23Å; Y276-I321 HydrophobicContact CD1-CD1 3.81Å; Y276-I321 HydrophobicContact CD1-CG1 3.89Å; Y276-I321 HydrophobicContact CE1-CD1 4.25Å; Y276-I321 WeakPolarHBondContact O-CA 3.4Å; Y276-I321 WeakPolarHBondContact O-CG1 3.38Å; Y302-I321 CarbonylContact C-O 3.58Å; Y302-I321 WeakPolarHBondContact CA-O 3.43Å; Y302-I321 WeakPolarHBondContact CB-O 3.38Å; W303-I321 HydrophobicContact CB-CG2 4Å; W303-I321 PolarHBondContact N-O 2.61Å; W303-I321 PolarHBondContact O-N 2.97Å; I305-I321 HydrophobicContact CD1-CB 4.49Å; I305-I321 HydrophobicContact CD1-CG2 3.37Å; I305-I321 HydrophobicContact CG1-CG2 4.44Å; F319-I321 HydrophobicContact CD2-CB 4.4Å; F319-I321 HydrophobicContact CE2-CB 4.17Å; F319-I321 HydrophobicContact CE2-CG2 4.36Å; I321-R323 PolarHBondContact O-N 3.44Å; I321-E327 HydrophobicContact CD1-CB 4.31Å; I321-E327 HydrophobicContact CD1-CG 3.92Å; I321-E327 HydrophobicContact CG1-CB 4.12Å; I321-E327 HydrophobicContact CG1-CG 3.74Å; I321-C328 HydrophobicContact CD1-CB 4.49Å; I321-I330 HydrophobicContact CD1-CB 4.37Å; I321-I330 HydrophobicContact CG2-CD1 4.48Å; I321-I330 HydrophobicContact CG2-CG1 3.98Å
322	V	98.8	Very high	97.6	Very high	11 Å²	11	28.5 Å²	28.5	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	133.9	179.8	-179.2	0	0	0	0	111.2	I275 Y276 K277 T300 R325 E327	I275-V322 HydrophobicContact CG2-CB 4.49Å; I275-V322 HydrophobicContact CG2-CG2 3.76Å; Y276-V322 PolarHBondContact O-N 3.25Å; K277-V322 HydrophobicContact CB-CG2 3.89Å; T300-V322 HydrophobicContact CG2-CG2 4.37Å; V322-R325 HydrophobicContact CG1-CG 3.86Å; V322-R325 VanDerWaalsContact CG1-NE 3.33Å; V322-E327 HydrophobicContact CB-CB 4.18Å; V322-E327 HydrophobicContact CB-CG 4.31Å; V322-E327 WeakPolarHBondContact O-CB 3.2Å
323	R	98.8	Very high	97.9	Very high	17 Å²	17	26.9 Å²	26.9	6%	0.064	15%	0.145	C	C	.	.			trans	-106.4	149.1	178.4	166	172.4	55.2	84.8	-0.4	111.5	E245 G295 P301 Y302 W303 I321	E245-R323 HydrophobicContact CG-CG 3.75Å; E245-R323 IonicContact OE1-CZ 2.81Å; E245-R323 IonicContact OE1-NH1 3.51Å; E245-R323 PolarHBondContact OE1-NH1 2.9Å; G295-R323 PolarHBondContact O-NH2 2.75Å; P301-R323 HydrophobicContact CB-CB 4.33Å; P301-R323 WeakPolarHBondContact CG-O 3.4Å; P301-R323 PolarHBondContact O-N 3.38Å; Y302-R323 PolarHBondContact O-NE 3.4Å; W303-R323 HydrophobicContact CD2-CB 4.1Å; W303-R323 HydrophobicContact CD2-CG 3.97Å; W303-R323 VanDerWaalsContact CE2-CD 3.5Å; W303-R323 VanDerWaalsContact CE2-CG 3.43Å; W303-R323 HydrophobicContact CG-CB 3.98Å; W303-R323 HydrophobicContact CG-CG 4.38Å; W303-R323 HydrophobicContact CH2-CG 4.3Å; W303-R323 HydrophobicContact CZ2-CG 3.63Å; I321-R323 PolarHBondContact O-N 3.44Å
324	G	98.4	Very high	98.1	Very high	39 Å²	39	26.7 Å²	26.7	40%	0.402	14%	0.144	S	C	.	.	S	Bend	trans	89.1	12.4	170.3	0	0	0	0	0	114.4	E245 E331	E245-G324 WeakPolarHBondContact OE2-CA 3.24Å; G324-E331 PolarHBondContact N-OE1 2.89Å
325	R	98	Very high	98.3	Very high	127 Å²	127	26.4 Å²	26.4	48%	0.479	14%	0.141	S	C	.	.	S	Bend	trans	-140.4	14.8	178.6	73.3	-176.9	-164.8	177.4	7.1	113.2	V322 E327	V322-R325 HydrophobicContact CG1-CG 3.86Å; V322-R325 VanDerWaalsContact CG1-NE 3.33Å; R325-E327 HydrophobicContact CG-CB 4.24Å; R325-E327 IonicContact CZ-OE2 3.56Å; R325-E327 IonicContact NE-OE2 2.74Å; R325-E327 PolarHBondContact NE-OE2 3.28Å; R325-E327 VanDerWaalsContact NH2-CD 3.25Å; R325-E327 IonicContact NH2-OE1 3.52Å; R325-E327 PolarHBondContact NH2-OE1 3.45Å; R325-E327 IonicContact NH2-OE2 3.62Å; R325-E327 PolarHBondContact NH2-OE2 3.4Å; R325-E327 PolarHBondContact O-N 3.38Å
326	D	98.6	Very high	98.4	Very high	39 Å²	39	24.1 Å²	24.1	21%	0.209	13%	0.131	C	C	.	.			trans	49.2	43.8	-175.9	-158.5	12.4	0	0	0	113.1	N243 C328 S329 I330 E331 S332	N243-D326 PolarHBondContact ND2-OD2 3.26Å; D326-C328 PolarHBondContact O-N 3.18Å; D326-S329 WeakPolarHBondContact O-CA 3.47Å; D326-S329 PolarHBondContact O-N 3.04Å; D326-S329 WeakPolarHBondContact OD1-CA 3.41Å; D326-I330 PolarHBondContact OD1-N 2.79Å; D326-E331 WeakPolarHBondContact CA-OE2 3.39Å; D326-E331 HydrophobicContact CB-CB 4.29Å; D326-E331 PolarHBondContact N-OE2 2.9Å; D326-E331 WeakPolarHBondContact OD1-CA 3.31Å; D326-E331 WeakPolarHBondContact OD1-CB 3.23Å; D326-E331 PolarHBondContact OD1-N 3.12Å; D326-S332 PolarHBondContact OD1-N 3.41Å; D326-S332 PolarHBondContact OD2-OG 3.49Å
327	E	98.6	Very high	98.5	Very high	22 Å²	22	18.9 Å²	18.9	10%	0.103	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-53.1	123.1	-177.5	-178.9	64.6	-172	0	0	110.5	K277 H278 I321 V322 R325 S329 I330	K277-E327 VanDerWaalsContact CA-OE1 3.3Å; K277-E327 WeakPolarHBondContact CA-OE1 3.5Å; K277-E327 WeakPolarHBondContact CB-OE1 3.48Å; H278-E327 PolarHBondContact N-OE1 2.89Å; I321-E327 HydrophobicContact CD1-CB 4.31Å; I321-E327 HydrophobicContact CD1-CG 3.92Å; I321-E327 HydrophobicContact CG1-CB 4.12Å; I321-E327 HydrophobicContact CG1-CG 3.74Å; V322-E327 HydrophobicContact CB-CB 4.18Å; V322-E327 HydrophobicContact CB-CG 4.31Å; V322-E327 WeakPolarHBondContact O-CB 3.2Å; R325-E327 HydrophobicContact CG-CB 4.24Å; R325-E327 IonicContact CZ-OE2 3.56Å; R325-E327 IonicContact NE-OE2 2.74Å; R325-E327 PolarHBondContact NE-OE2 3.28Å; R325-E327 VanDerWaalsContact NH2-CD 3.25Å; R325-E327 IonicContact NH2-OE1 3.52Å; R325-E327 PolarHBondContact NH2-OE1 3.45Å; R325-E327 IonicContact NH2-OE2 3.62Å; R325-E327 PolarHBondContact NH2-OE2 3.4Å; R325-E327 PolarHBondContact O-N 3.38Å; E327-S329 PolarHBondContact O-N 3.45Å; E327-S329 VanDerWaalsContact O-N 3.08Å; E327-I330 HydrophobicContact CB-CG2 4.34Å; E327-I330 WeakPolarHBondContact O-CB 3.09Å; E327-I330 WeakPolarHBondContact O-CG2 3.3Å; E327-I330 PolarHBondContact O-N 3.11Å
328	C	98.5	Very high	98.6	Very high	14 Å²	14	22.3 Å²	22.3	10%	0.095	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	53.8	26.7	-176.3	-57.5	0	0	0	0	114.1	F262 T263 Y265 I321 D326 I330	F262-C328 CarbonylContact C-O 3.51Å; F262-C328 WeakPolarHBondContact CA-O 3.27Å; F262-C328 HydrophobicContact CB-CB 4.21Å; F262-C328 WeakPolarHBondContact CB-O 3.34Å; F262-C328 HydrophobicContact CD2-CB 4.08Å; T263-C328 PolarHBondContact N-O 3.11Å; T263-C328 WeakPolarHBondContact O-CB 3.37Å; T263-C328 PolarHBondContact OG1-O 3.47Å; Y265-C328 HydrophobicContact CE2-CB 4.27Å; I321-C328 HydrophobicContact CD1-CB 4.49Å; D326-C328 PolarHBondContact O-N 3.18Å; C328-I330 VanDerWaalsContact C-N 3.33Å
329	S	98.4	Very high	98.6	Very high	32 Å²	32	23.2 Å²	23.2	22%	0.224	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	66.3	23.8	-174	-46.7	0	0	0	0	115.2	R67 S261 D326 E327 E331 S332	R67-S329 PolarHBondContact NH2-OG 2.03Å; S261-S329 VanDerWaalsContact O-O 3.11Å; D326-S329 WeakPolarHBondContact O-CA 3.47Å; D326-S329 PolarHBondContact O-N 3.04Å; D326-S329 WeakPolarHBondContact OD1-CA 3.41Å; E327-S329 PolarHBondContact O-N 3.45Å; E327-S329 VanDerWaalsContact O-N 3.08Å; S329-E331 PolarHBondContact O-N 3.1Å; S329-S332 WeakPolarHBondContact O-CB 3.48Å; S329-S332 PolarHBondContact O-N 2.75Å
330	I	98.8	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25	-176.9	-170.8	64.3	0	0	0	114.6	F262 I289 I291 I305 I321 D326 E327 C328	F262-I330 HydrophobicContact CB-CB 4.16Å; F262-I330 HydrophobicContact CB-CD1 3.78Å; F262-I330 HydrophobicContact CD1-CD1 4.2Å; F262-I330 HydrophobicContact CG-CD1 4.18Å; I289-I330 HydrophobicContact CD1-CD1 3.98Å; I289-I330 HydrophobicContact CG1-CD1 4.18Å; I291-I330 HydrophobicContact CD1-CG1 4.41Å; I305-I330 HydrophobicContact CD1-CD1 3.75Å; I305-I330 HydrophobicContact CD1-CG1 4.16Å; I321-I330 HydrophobicContact CD1-CB 4.37Å; I321-I330 HydrophobicContact CG2-CD1 4.48Å; I321-I330 HydrophobicContact CG2-CG1 3.98Å; D326-I330 PolarHBondContact OD1-N 2.79Å; E327-I330 HydrophobicContact CB-CG2 4.34Å; E327-I330 WeakPolarHBondContact O-CB 3.09Å; E327-I330 WeakPolarHBondContact O-CG2 3.3Å; E327-I330 PolarHBondContact O-N 3.11Å; C328-I330 VanDerWaalsContact C-N 3.33Å
331	E	98.8	Very high	98.4	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-13.4	-179.2	-69.2	154.1	-167	0	0	112.1	N243 I248 W303 G324 D326 S329	N243-E331 WeakPolarHBondContact CA-O 3.16Å; N243-E331 VanDerWaalsContact OD1-CB 3.23Å; N243-E331 WeakPolarHBondContact OD1-CB 3.32Å; N243-E331 PolarHBondContact OD1-O 2.78Å; I248-E331 HydrophobicContact CD1-CB 3.73Å; I248-E331 HydrophobicContact CD1-CG 3.7Å; W303-E331 HydrophobicContact CZ2-CG 4.27Å; W303-E331 PolarHBondContact NE1-OE1 3Å; G324-E331 PolarHBondContact N-OE1 2.89Å; D326-E331 WeakPolarHBondContact CA-OE2 3.39Å; D326-E331 HydrophobicContact CB-CB 4.29Å; D326-E331 PolarHBondContact N-OE2 2.9Å; D326-E331 WeakPolarHBondContact OD1-CA 3.31Å; D326-E331 WeakPolarHBondContact OD1-CB 3.23Å; D326-E331 PolarHBondContact OD1-N 3.12Å; S329-E331 PolarHBondContact O-N 3.1Å
332	S	98.5	Very high	98.4	Very high	40 Å²	40	29.1 Å²	29.1	28%	0.28	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-40.4	-176.7	-82.4	0	0	0	0	115.1	N243 D326 S329	N243-S332 PolarHBondContact ND2-OG 3.02Å; D326-S332 PolarHBondContact OD1-N 3.41Å; D326-S332 PolarHBondContact OD2-OG 3.49Å; S329-S332 WeakPolarHBondContact O-CB 3.48Å; S329-S332 PolarHBondContact O-N 2.75Å
333	E	97.9	Very high	98.4	Very high	13 Å²	13	30.1 Å²	30.1	6%	0.061	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	38.5	-173	-73.4	-159.3	133.8	0	0	114	R67 E68 S261 I335	R67-E333 WeakPolarHBondContact CA-OE1 3.07Å; R67-E333 WeakPolarHBondContact CA-OE2 3.42Å; E68-E333 PolarHBondContact N-OE1 2.94Å; S261-E333 PolarHBondContact OG-OE2 3.15Å; E333-I335 PolarHBondContact O-N 3.34Å
334	V	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.			trans	-67.8	131.7	173.2	-174.7	0	0	0	0	110.8	R73 V241 I248 V258 E259 A260	R73-V334 PolarHBondContact NH2-O 3.08Å; V241-V334 HydrophobicContact CB-CB 4Å; V241-V334 HydrophobicContact CB-CG1 3.79Å; V241-V334 HydrophobicContact CG2-CB 4.49Å; V241-V334 HydrophobicContact CG2-CG1 3.8Å; V241-V334 PolarHBondContact N-O 3.42Å; I248-V334 HydrophobicContact CD1-CG2 3.68Å; I248-V334 HydrophobicContact CG1-CB 4.33Å; I248-V334 HydrophobicContact CG1-CG1 4.37Å; I248-V334 HydrophobicContact CG1-CG2 3.97Å; I248-V334 HydrophobicContact CG2-CG1 4.45Å; I248-V334 HydrophobicContact CG2-CG2 4.5Å; V258-V334 HydrophobicContact CB-CG1 3.83Å; V258-V334 HydrophobicContact CG1-CG1 4.33Å; V258-V334 HydrophobicContact CG2-CG1 3.57Å; E259-V334 WeakPolarHBondContact O-CA 3.37Å; A260-V334 HydrophobicContact CB-CG2 3.9Å
335	I	98.9	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.7	178.5	-172	161.6	0	0	0	111.4	L163 W167 Y239 E259 E333	L163-I335 HydrophobicContact CB-CG2 3.9Å; L163-I335 HydrophobicContact CD2-CG2 4.23Å; L163-I335 HydrophobicContact CG-CG2 4.47Å; W167-I335 HydrophobicContact CB-CD1 3.97Å; W167-I335 HydrophobicContact CB-CG1 4.29Å; W167-I335 HydrophobicContact CD2-CG1 4.39Å; W167-I335 HydrophobicContact CG-CD1 3.94Å; W167-I335 HydrophobicContact CG-CG1 3.89Å; W167-I335 HydrophobicContact CG-CG2 4.41Å; W167-I335 VanDerWaalsContact NE1-CG2 3.34Å; Y239-I335 WeakPolarHBondContact O-CG1 3.43Å; E259-I335 HydrophobicContact CB-CG2 3.93Å; E259-I335 HydrophobicContact CG-CG2 4.31Å; E259-I335 PolarHBondContact N-O 2.91Å; E259-I335 VanDerWaalsContact N-O 3.12Å; E259-I335 PolarHBondContact O-N 3.27Å; E333-I335 PolarHBondContact O-N 3.34Å
336	A	98.9	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-172.4	175.7	0	0	0	0	0	111.9	W167 Y239 E251 V258	W167-A336 HydrophobicContact CH2-CB 4.43Å; W167-A336 VanDerWaalsContact CZ3-C 3.41Å; Y239-A336 HydrophobicContact CD2-CB 4.44Å; Y239-A336 HydrophobicContact CE2-CB 3.81Å; Y239-A336 PolarHBondContact N-O 3.15Å; Y239-A336 PolarHBondContact O-N 2.93Å; Y239-A336 VanDerWaalsContact O-N 3.08Å; E251-A336 HydrophobicContact CG-CB 4.42Å; V258-A336 HydrophobicContact CG1-CB 3.98Å
337	G	98.8	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	174.2	177.5	0	0	0	0	0	111.6	R129 Q133 S237	R129-G337 WeakPolarHBondContact CD-O 3.36Å; R129-G337 PolarHBondContact NH1-O 2.84Å; Q133-G337 PolarHBondContact NE2-O 3.01Å; S237-G337 CarbonylContact O-C 3.44Å; S237-G337 WeakPolarHBondContact O-CA 3.44Å
338	R	98.8	Very high	98.3	Very high	71 Å²	71	22.9 Å²	22.9	27%	0.268	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.6	-178.5	-73.4	167	56.3	175.6	0.2	111.2	K236 S237 Y239 Y255 N340	K236-R338 WeakPolarHBondContact CA-O 3.37Å; K236-R338 WeakPolarHBondContact CB-O 3.44Å; K236-R338 PolarHBondContact N-O 3.36Å; S237-R338 PolarHBondContact N-O 3.33Å; S237-R338 PolarHBondContact O-N 3.22Å; Y239-R338 HydrophobicContact CE1-CG 3.98Å; Y239-R338 WeakPolarHBondContact OH-CG 3.39Å; Y255-R338 HydrophobicContact CD1-CG 4.37Å; Y255-R338 PolarHBondContact OH-NH1 3.42Å; R338-N340 PolarHBondContact NE-O 3.42Å; R338-N340 PolarHBondContact NH2-O 2.77Å
339	I	98.2	Very high	98.3	Very high	29 Å²	29	23.7 Å²	23.7	15%	0.149	13%	0.125	C	C	.	.			trans	-89.8	-14	172	73.6	-179.5	0	0	0	112.6	Q133 W170	Q133-I339 HydrophobicContact CB-CD1 3.73Å; Q133-I339 HydrophobicContact CB-CG1 3.68Å; W170-I339 HydrophobicContact CH2-CG2 3.65Å; W170-I339 HydrophobicContact CZ2-CG2 3.69Å
340	N	94.8	Very high	98.3	Very high	92 Å²	92	22.9 Å²	22.9	49%	0.492	12%	0.117	S	C	.	.			trans	-145.3	0	-177.3	50.3	48.6	0	0	0	114.7	Q133 K236 R338	Q133-N340 PolarHBondContact O-ND2 2.92Å; K236-N340 VanDerWaalsContact CD-OXT 3.26Å; K236-N340 WeakPolarHBondContact CD-OXT 3.38Å; K236-N340 WeakPolarHBondContact CE-OXT 3.3Å; K236-N340 PolarHBondContact NZ-OXT 2.91Å; R338-N340 PolarHBondContact NE-O 3.42Å; R338-N340 PolarHBondContact NH2-O 2.77Å

Retrieved 340 of 340 residues in 243.1 ms (Link to these results)

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