A0A3Q0KJW0_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB (Q8MNY2), UniProt , Accession A0A3Q0KJW0, 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	47.9	Very low	43.5	Very low	237 Å²	237	143 Å²	143	100%	1.167	83%	0.825	S	S	*	*				0	83.3	0	-61	-177.1	-163.8	0	0	105.8
2	L	36.9	Very low	43.8	Very low	162 Å²	162	142.3 Å²	142.3	85%	0.848	81%	0.814	S	S	*	*				44.6	113.2	85	-85.2	138.3	0	0	0	109.6
3	T	42.6	Very low	43.8	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	80%	0.803	S	S	*	*			cis	-161	137.5	41	18.7	0	0	0	0	111.3
4	S	43.4	Very low	44	Very low	121 Å²	121	142.8 Å²	142.8	85%	0.846	80%	0.803	S	S	*	*			trans	-83.9	148.6	173	-60.5	0	0	0	0	112.3
5	I	44.5	Very low	43.8	Very low	152 Å²	152	143.7 Å²	143.7	78%	0.779	80%	0.804	S	S	*	*			trans	-65.9	132.5	179.9	-64.5	154.4	0	0	0	111.3
6	L	43.2	Very low	43.7	Very low	159 Å²	159	144.6 Å²	144.6	83%	0.832	80%	0.8	S	S	*	*			trans	-122.8	102.3	161.3	-115	96.4	0	0	0	109
7	C	42.9	Very low	43.6	Very low	119 Å²	119	141 Å²	141	80%	0.804	79%	0.793	S	S	*	*			trans	-82	115.7	164.1	-80.2	0	0	0	0	108.6	A9	C7-A9 PolarHBondContact O-N 2.8Å
8	I	48.4	Very low	43.4	Very low	151 Å²	151	142.6 Å²	142.6	77%	0.774	79%	0.793	S	S	*	*			trans	-85.3	104.3	171.8	-61.9	171.7	0	0	0	107.1
9	A	43.4	Very low	43.5	Very low	87 Å²	87	141.5 Å²	141.5	72%	0.719	78%	0.784	S	S	*	*			trans	-83.8	110.8	166	0	0	0	0	0	108.5	C7 L11	C7-A9 PolarHBondContact O-N 2.8Å; A9-L11 PolarHBondContact O-N 2.66Å
10	S	44.6	Very low	43.2	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	78%	0.779	S	S	*	*			trans	-76.9	108.1	172.3	43.9	0	0	0	0	110	I12	S10-I12 PolarHBondContact O-N 3.08Å
11	L	40.4	Very low	43.6	Very low	156 Å²	156	137 Å²	137	82%	0.817	77%	0.768	S	S	*	*			trans	-70.5	113.7	164.2	-93.7	98.2	0	0	0	109.2	A9 T13	A9-L11 PolarHBondContact O-N 2.66Å; L11-T13 PolarHBondContact O-N 2.78Å
12	I	47.4	Very low	43.7	Very low	134 Å²	134	133.1 Å²	133.1	69%	0.687	75%	0.745	S	S	*	*			trans	-85.4	102.5	164.8	-62.1	172.8	0	0	0	106.9	S10 F14	S10-I12 PolarHBondContact O-N 3.08Å; I12-F14 HydrophobicContact CG2-CD2 3.79Å; I12-F14 HydrophobicContact CG2-CE2 3.75Å; I12-F14 PolarHBondContact O-N 3.14Å
13	T	44.1	Very low	44.7	Very low	109 Å²	109	131.5 Å²	131.5	67%	0.669	74%	0.737	S	S	*	*			trans	-80.4	103.6	167.4	47.1	0	0	0	0	108.9	L11 L15	L11-T13 PolarHBondContact O-N 2.78Å; T13-L15 PolarHBondContact O-N 3Å
14	F	46.3	Very low	45.9	Very low	183 Å²	183	130.1 Å²	130.1	80%	0.803	72%	0.722	S	S	*	*			trans	-70.7	104.9	163.1	-88.2	-90.9	0	0	0	108.2	I12 E16	I12-F14 HydrophobicContact CG2-CD2 3.79Å; I12-F14 HydrophobicContact CG2-CE2 3.75Å; I12-F14 PolarHBondContact O-N 3.14Å; F14-E16 PolarHBondContact O-N 2.94Å
15	L	41.4	Very low	47.9	Very low	157 Å²	157	132 Å²	132	82%	0.822	72%	0.715	S	S	*	*			trans	-73.6	97.3	163.8	-118.5	88.9	0	0	0	107.4	T13 A17	T13-L15 PolarHBondContact O-N 3Å; L15-A17 PolarHBondContact O-N 3.05Å
16	E	41.5	Very low	50.2	Low	157 Å²	157	126.9 Å²	126.9	73%	0.734	69%	0.687	S	S	*	*			trans	-73.1	101.9	159.5	-73.6	-172.6	163.4	0	0	107.5	F14 H18	F14-E16 PolarHBondContact O-N 2.94Å; E16-H18 VanDerWaalsContact C-N 3.32Å; E16-H18 PolarHBondContact O-N 2.83Å
17	A	41.7	Very low	52.6	Low	84 Å²	84	126.1 Å²	126.1	69%	0.694	68%	0.679	S	S	*	*			trans	-67	94.3	168.5	0	0	0	0	0	108.5	L15 I19	L15-A17 PolarHBondContact O-N 3.05Å; A17-I19 VanDerWaalsContact C-N 3.27Å; A17-I19 PolarHBondContact O-N 2.73Å
18	H	41	Very low	55	Low	169 Å²	169	121.4 Å²	121.4	78%	0.782	65%	0.647	S	S	*	*			trans	-64.8	92	161.4	-77.5	-56	0	0	0	108.4	E16 S20	E16-H18 VanDerWaalsContact C-N 3.32Å; E16-H18 PolarHBondContact O-N 2.83Å; H18-S20 VanDerWaalsContact C-N 3.32Å; H18-S20 PolarHBondContact O-N 2.71Å
19	I	44.7	Very low	57.1	Low	123 Å²	123	115.5 Å²	115.5	63%	0.631	62%	0.617	S	S	*	*			trans	-64.4	100.1	163.8	-64.8	172.9	0	0	0	106	A17 V21	A17-I19 VanDerWaalsContact C-N 3.27Å; A17-I19 PolarHBondContact O-N 2.73Å; I19-V21 VanDerWaalsContact C-N 3.33Å; I19-V21 HydrophobicContact CG2-CG2 4.3Å; I19-V21 PolarHBondContact O-N 3.2Å
20	S	38.5	Very low	59.6	Low	98 Å²	98	112.4 Å²	112.4	69%	0.685	59%	0.59	S	S	*	*			trans	-63	96.9	164	169.9	0	0	0	0	107.2	H18 K22	H18-S20 VanDerWaalsContact C-N 3.32Å; H18-S20 PolarHBondContact O-N 2.71Å; S20-K22 PolarHBondContact O-N 3.47Å
21	V	49.8	Very low	62.1	Low	89 Å²	89	112.7 Å²	112.7	54%	0.539	58%	0.583	S	S	.	*			trans	-66.3	88.2	169.9	-175.4	0	0	0	0	106.9	I19 N23	I19-V21 VanDerWaalsContact C-N 3.33Å; I19-V21 HydrophobicContact CG2-CG2 4.3Å; I19-V21 PolarHBondContact O-N 3.2Å; V21-N23 PolarHBondContact O-N 2.95Å
22	K	50	Low	64.8	Low	157 Å²	157	110.4 Å²	110.4	68%	0.683	57%	0.572	S	S	*	*			trans	-62.2	129.2	159.4	-81.6	-177.6	174.8	179.1	0	105.5	S20 E24	S20-K22 PolarHBondContact O-N 3.47Å; K22-E24 HydrophobicContact CB-CG 4.47Å; K22-E24 PolarHBondContact O-N 3.06Å
23	N	58.2	Low	67.2	Low	128 Å²	128	104 Å²	104	68%	0.684	54%	0.539	S	S	*	.			trans	-63.8	80.9	167.1	-99.4	2.2	0	0	0	108	V21 K25	V21-N23 PolarHBondContact O-N 2.95Å; N23-K25 PolarHBondContact O-N 2.88Å
24	E	69.4	Low	69.7	Low	98 Å²	98	99.6 Å²	99.6	46%	0.458	51%	0.511	S	S	.	.			trans	-67.2	117	168.6	-71.6	-173.6	168.5	0	0	107.1	K22 F26 T280	K22-E24 HydrophobicContact CB-CG 4.47Å; K22-E24 PolarHBondContact O-N 3.06Å; E24-F26 HydrophobicContact CB-CD2 4.39Å; E24-F26 HydrophobicContact CB-CE2 3.49Å; E24-F26 VanDerWaalsContact CB-CE2 3.49Å; E24-F26 HydrophobicContact CB-CZ 3.58Å; E24-F26 VanDerWaalsContact O-CD2 3.3Å; E24-F26 WeakPolarHBondContact O-CD2 3.37Å; E24-F26 WeakPolarHBondContact O-CE2 3.37Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.21Å; E24-T280 PolarHBondContact O-OG1 2.89Å
25	K	84.6	Confident	72.1	Confident	161 Å²	161	93.4 Å²	93.4	70%	0.7	49%	0.491	S	S	*	.			trans	-88.2	120.2	178	-65.1	-168.5	174.1	-142	0	108	N23 E282	N23-K25 PolarHBondContact O-N 2.88Å; K25-E282 WeakPolarHBondContact CE-OE1 3.36Å; K25-E282 IonicContact NZ-OE1 3.78Å; K25-E282 PolarHBondContact NZ-OE1 3.26Å
26	F	92.2	Very high	74.8	Confident	43 Å²	43	87.9 Å²	87.9	19%	0.189	46%	0.459	C	S	.	.			trans	-109.3	151.6	175.9	-59.2	-83.5	0	0	0	109.5	E24 P28 D32 I33 Y36 T280	E24-F26 HydrophobicContact CB-CD2 4.39Å; E24-F26 HydrophobicContact CB-CE2 3.49Å; E24-F26 VanDerWaalsContact CB-CE2 3.49Å; E24-F26 HydrophobicContact CB-CZ 3.58Å; E24-F26 VanDerWaalsContact O-CD2 3.3Å; E24-F26 WeakPolarHBondContact O-CD2 3.37Å; E24-F26 WeakPolarHBondContact O-CE2 3.37Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.21Å; F26-P28 WeakPolarHBondContact O-CD 3.29Å; F26-D32 HydrophobicContact CD1-CB 4.05Å; F26-I33 HydrophobicContact CB-CB 3.64Å; F26-I33 HydrophobicContact CB-CD1 4.4Å; F26-I33 HydrophobicContact CB-CG1 4.02Å; F26-I33 HydrophobicContact CD2-CG1 4.47Å; F26-I33 HydrophobicContact CG-CB 4.22Å; F26-I33 HydrophobicContact CG-CG1 4.44Å; F26-Y36 HydrophobicContact CD2-CD1 4.15Å; F26-Y36 HydrophobicContact CD2-CG 4.22Å; F26-Y36 HydrophobicContact CE1-CD2 4.29Å; F26-Y36 HydrophobicContact CE1-CG 4.22Å; F26-Y36 AromaticContact CE2-CD1 3.51Å; F26-Y36 HydrophobicContact CE2-CD1 3.51Å; F26-Y36 AromaticContact CE2-CD2 3.57Å; F26-Y36 HydrophobicContact CE2-CD2 3.57Å; F26-Y36 AromaticContact CE2-CE1 3.84Å; F26-Y36 HydrophobicContact CE2-CE1 3.84Å; F26-Y36 AromaticContact CE2-CE2 3.89Å; F26-Y36 HydrophobicContact CE2-CE2 3.89Å; F26-Y36 AromaticContact CE2-CG 3.36Å; F26-Y36 HydrophobicContact CE2-CG 3.36Å; F26-Y36 HydrophobicContact CZ-CD1 4.04Å; F26-Y36 AromaticContact CZ-CD2 3.27Å; F26-Y36 HydrophobicContact CZ-CD2 3.27Å; F26-Y36 AromaticContact CZ-CE2 3.85Å; F26-Y36 HydrophobicContact CZ-CE2 3.85Å; 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 4.42Å
27	E	94	Very high	77.5	Confident	144 Å²	144	80.5 Å²	80.5	67%	0.673	43%	0.425	S	S	*	.			trans	-64	127.7	171.1	-176.7	65.7	-170.2	0	0	108.9	S30	E27-S30 WeakPolarHBondContact O-CB 3.19Å; E27-S30 PolarHBondContact O-N 3.34Å; E27-S30 PolarHBondContact O-OG 2.04Å
28	P	92.6	Very high	80.2	Confident	20 Å²	20	79 Å²	79	13%	0.13	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	144.7	-178.9	-27.8	38.5	0	0	0	112.1	F26 S30 L56 E266	F26-P28 WeakPolarHBondContact O-CD 3.29Å; P28-S30 PolarHBondContact O-N 3.21Å; P28-L56 HydrophobicContact CB-CD2 3.53Å; P28-L56 HydrophobicContact CB-CG 4.22Å; P28-L56 HydrophobicContact CG-CD1 4.14Å; P28-L56 HydrophobicContact CG-CD2 3.97Å; P28-L56 HydrophobicContact CG-CG 4.32Å; P28-E266 HydrophobicContact CB-CB 4.1Å; P28-E266 HydrophobicContact CB-CG 4.1Å; P28-E266 HydrophobicContact CG-CB 4.14Å; P28-E266 HydrophobicContact CG-CG 3.81Å; P28-E266 WeakPolarHBondContact CG-OE1 3Å
29	L	93.7	Very high	82.8	Confident	27 Å²	27	78.4 Å²	78.4	14%	0.141	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	2.6	-178.7	-55.7	165.7	0	0	0	115.7	F53 L269 N270	L29-F53 HydrophobicContact CD1-CB 3.94Å; L29-F53 WeakPolarHBondContact CD1-O 3.44Å; L29-F53 HydrophobicContact CD2-CB 4.09Å; L29-L269 HydrophobicContact CD1-CD1 4.44Å; L29-L269 HydrophobicContact CD2-CB 3.58Å; L29-L269 HydrophobicContact CD2-CD1 4.1Å; L29-L269 HydrophobicContact CG-CD1 4.28Å; L29-N270 WeakPolarHBondContact CA-OD1 3.48Å
30	S	96	Very high	85.3	Confident	21 Å²	21	74.4 Å²	74.4	15%	0.147	38%	0.381	C	S	.	.	S	Bend	trans	-71.9	162.8	178.3	68	0	0	0	0	113.4	E27 P28 D32 I33 I34	E27-S30 WeakPolarHBondContact O-CB 3.19Å; E27-S30 PolarHBondContact O-N 3.34Å; E27-S30 PolarHBondContact O-OG 2.04Å; P28-S30 PolarHBondContact O-N 3.21Å; S30-D32 PolarHBondContact O-N 3.33Å; S30-D32 PolarHBondContact OG-N 3Å; S30-I33 VanDerWaalsContact O-CG2 3.25Å; S30-I33 WeakPolarHBondContact O-CG2 3.23Å; S30-I33 PolarHBondContact OG-N 2.94Å; S30-I34 WeakPolarHBondContact O-CD1 3.22Å; S30-I34 VanDerWaalsContact O-CG1 3.27Å; S30-I34 WeakPolarHBondContact O-CG1 3.41Å; S30-I34 PolarHBondContact O-N 3.33Å
31	D	96.9	Very high	88	Confident	108 Å²	108	75 Å²	75	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-65.9	-24.4	171.5	-66	-26.4	0	0	0	111.7	S35	D31-S35 WeakPolarHBondContact O-CB 3.12Å; D31-S35 PolarHBondContact O-N 3.48Å; D31-S35 PolarHBondContact O-OG 3.31Å
32	D	97.1	Very high	90	Very high	109 Å²	109	75.4 Å²	75.4	58%	0.583	38%	0.382	S	S	*	.	H	α-helix	trans	-68.9	-48.5	178.7	-61.5	-42.2	0	0	0	111.7	F26 S30 I34 S35 Y36	F26-D32 HydrophobicContact CD1-CB 4.05Å; S30-D32 PolarHBondContact O-N 3.33Å; S30-D32 PolarHBondContact OG-N 3Å; D32-I34 VanDerWaalsContact C-N 3.3Å; D32-I34 PolarHBondContact O-N 2.02Å; D32-S35 PolarHBondContact O-N 3.05Å; D32-Y36 WeakPolarHBondContact O-CB 3.05Å; D32-Y36 PolarHBondContact O-N 3.15Å
33	I	96.7	Very high	92.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-39.4	177	-166.3	173.6	0	0	0	110.8	F26 S30 Y36 I37 D267 T280	F26-I33 HydrophobicContact CB-CB 3.64Å; F26-I33 HydrophobicContact CB-CD1 4.4Å; F26-I33 HydrophobicContact CB-CG1 4.02Å; F26-I33 HydrophobicContact CD2-CG1 4.47Å; F26-I33 HydrophobicContact CG-CB 4.22Å; F26-I33 HydrophobicContact CG-CG1 4.44Å; S30-I33 VanDerWaalsContact O-CG2 3.25Å; S30-I33 WeakPolarHBondContact O-CG2 3.23Å; S30-I33 PolarHBondContact OG-N 2.94Å; I33-Y36 PolarHBondContact O-N 3.35Å; I33-I37 HydrophobicContact CG1-CD1 3.94Å; I33-I37 VanDerWaalsContact O-CD1 3.25Å; I33-I37 WeakPolarHBondContact O-CD1 3.38Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.08Å; I33-I37 PolarHBondContact O-N 3.16Å; I33-D267 HydrophobicContact CD1-CB 4.2Å; I33-T280 HydrophobicContact CD1-CG2 3.99Å; I33-T280 HydrophobicContact CG1-CG2 3.87Å
34	I	97.5	Very high	94.1	Very high	16 Å²	16	64.4 Å²	64.4	8%	0.082	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-46.9	176.5	-67.1	164.5	0	0	0	110.7	S30 D32 I37 N38 A47 K49 N270	S30-I34 WeakPolarHBondContact O-CD1 3.22Å; S30-I34 VanDerWaalsContact O-CG1 3.27Å; S30-I34 WeakPolarHBondContact O-CG1 3.41Å; S30-I34 PolarHBondContact O-N 3.33Å; D32-I34 VanDerWaalsContact C-N 3.3Å; D32-I34 PolarHBondContact O-N 2.02Å; I34-I37 PolarHBondContact O-N 2.91Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.19Å; I34-N38 WeakPolarHBondContact O-CB 3.05Å; I34-N38 VanDerWaalsContact O-CG 3.32Å; I34-N38 PolarHBondContact O-N 3.39Å; I34-N38 PolarHBondContact O-ND2 2.91Å; I34-N38 VanDerWaalsContact O-ND2 3.11Å; I34-A47 HydrophobicContact CB-CB 4.42Å; I34-A47 HydrophobicContact CG1-CB 4.43Å; I34-A47 HydrophobicContact CG2-CB 4.14Å; I34-K49 HydrophobicContact CD1-CB 4.28Å; I34-N270 HydrophobicContact CG1-CB 4.18Å
35	S	97.7	Very high	95.5	Very high	53 Å²	53	60.2 Å²	60.2	37%	0.371	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-46.9	179.3	-58	0	0	0	0	110.8	D31 D32 I37 N38 E39	D31-S35 WeakPolarHBondContact O-CB 3.12Å; D31-S35 PolarHBondContact O-N 3.48Å; D31-S35 PolarHBondContact O-OG 3.31Å; D32-S35 PolarHBondContact O-N 3.05Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 3.18Å; S35-N38 PolarHBondContact O-N 2.67Å; S35-N38 VanDerWaalsContact O-N 3.14Å; S35-E39 WeakPolarHBondContact O-CB 3.49Å; S35-E39 WeakPolarHBondContact O-CG 3.49Å; S35-E39 PolarHBondContact O-N 3.42Å
36	Y	97.1	Very high	96.1	Very high	41 Å²	41	59.9 Å²	59.9	16%	0.161	32%	0.317	C	S	.	.	H	α-helix	trans	-53.7	-47.7	176	175	-100.8	0	0	0	112.2	F26 D32 I33 H40 I279 T280	F26-Y36 HydrophobicContact CD2-CD1 4.15Å; F26-Y36 HydrophobicContact CD2-CG 4.22Å; F26-Y36 HydrophobicContact CE1-CD2 4.29Å; F26-Y36 HydrophobicContact CE1-CG 4.22Å; F26-Y36 AromaticContact CE2-CD1 3.51Å; F26-Y36 HydrophobicContact CE2-CD1 3.51Å; F26-Y36 AromaticContact CE2-CD2 3.57Å; F26-Y36 HydrophobicContact CE2-CD2 3.57Å; F26-Y36 AromaticContact CE2-CE1 3.84Å; F26-Y36 HydrophobicContact CE2-CE1 3.84Å; F26-Y36 AromaticContact CE2-CE2 3.89Å; F26-Y36 HydrophobicContact CE2-CE2 3.89Å; F26-Y36 AromaticContact CE2-CG 3.36Å; F26-Y36 HydrophobicContact CE2-CG 3.36Å; F26-Y36 HydrophobicContact CZ-CD1 4.04Å; F26-Y36 AromaticContact CZ-CD2 3.27Å; F26-Y36 HydrophobicContact CZ-CD2 3.27Å; F26-Y36 AromaticContact CZ-CE2 3.85Å; F26-Y36 HydrophobicContact CZ-CE2 3.85Å; F26-Y36 AromaticContact CZ-CG 3.37Å; F26-Y36 HydrophobicContact CZ-CG 3.37Å; D32-Y36 WeakPolarHBondContact O-CB 3.05Å; D32-Y36 PolarHBondContact O-N 3.15Å; I33-Y36 PolarHBondContact O-N 3.35Å; Y36-H40 WeakPolarHBondContact O-CB 3.07Å; Y36-H40 PolarHBondContact O-N 2.93Å; Y36-I279 HydrophobicContact CE1-CG2 3.75Å; Y36-T280 HydrophobicContact CD1-CG2 3.78Å; Y36-T280 HydrophobicContact CE1-CG2 3.75Å
37	I	97.4	Very high	96.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-47.3	177.8	-66.7	154.5	0	0	0	111.3	I33 I34 S35 E39 H40 W45 A47 D267	I33-I37 HydrophobicContact CG1-CD1 3.94Å; I33-I37 VanDerWaalsContact O-CD1 3.25Å; I33-I37 WeakPolarHBondContact O-CD1 3.38Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.08Å; I33-I37 PolarHBondContact O-N 3.16Å; I34-I37 PolarHBondContact O-N 2.91Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 3.18Å; I37-E39 VanDerWaalsContact C-N 3.29Å; I37-E39 PolarHBondContact O-N 3.49Å; I37-H40 WeakPolarHBondContact O-CB 3.44Å; I37-H40 PolarHBondContact O-N 3.29Å; I37-W45 HydrophobicContact CB-CH2 4.47Å; I37-W45 HydrophobicContact CD1-CH2 3.46Å; I37-W45 VanDerWaalsContact CD1-CH2 3.46Å; I37-W45 HydrophobicContact CD1-CZ2 3.99Å; I37-W45 HydrophobicContact CD1-CZ3 4.18Å; I37-W45 HydrophobicContact CG1-CH2 4.02Å; I37-W45 HydrophobicContact CG1-CZ2 4.07Å; I37-W45 HydrophobicContact CG2-CD2 3.97Å; I37-W45 HydrophobicContact CG2-CE3 3.98Å; I37-W45 HydrophobicContact CG2-CH2 3.72Å; I37-W45 HydrophobicContact CG2-CZ2 3.67Å; I37-W45 HydrophobicContact CG2-CZ3 3.86Å; I37-A47 HydrophobicContact CB-CB 3.92Å; I37-A47 HydrophobicContact CD1-CB 3.81Å; I37-A47 HydrophobicContact CG2-CB 3.79Å; I37-D267 HydrophobicContact CD1-CB 3.93Å
38	N	98.2	Very high	96.5	Very high	52 Å²	52	54.6 Å²	54.6	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-25.1	-175.2	-75.8	-36.7	0	0	0	113.5	I34 S35 R46 A47	I34-N38 WeakPolarHBondContact CG2-ND2 3.19Å; I34-N38 WeakPolarHBondContact O-CB 3.05Å; I34-N38 VanDerWaalsContact O-CG 3.32Å; I34-N38 PolarHBondContact O-N 3.39Å; I34-N38 PolarHBondContact O-ND2 2.91Å; I34-N38 VanDerWaalsContact O-ND2 3.11Å; S35-N38 PolarHBondContact O-N 2.67Å; S35-N38 VanDerWaalsContact O-N 3.14Å; N38-R46 WeakPolarHBondContact OD1-CA 3.27Å; N38-A47 PolarHBondContact ND2-O 3.41Å; N38-A47 PolarHBondContact OD1-N 3.04Å; N38-A47 PolarHBondContact OD1-O 3.3Å
39	E	97.5	Very high	96.6	Very high	158 Å²	158	59.8 Å²	59.8	74%	0.738	32%	0.315	S	S	*	.	H	α-helix	trans	-90.7	-13.1	175.7	-67.4	176.1	-174.1	0	0	112.5	S35 I37	S35-E39 WeakPolarHBondContact O-CB 3.49Å; S35-E39 WeakPolarHBondContact O-CG 3.49Å; S35-E39 PolarHBondContact O-N 3.42Å; I37-E39 VanDerWaalsContact C-N 3.29Å; I37-E39 PolarHBondContact O-N 3.49Å
40	H	96.1	Very high	96.3	Very high	39 Å²	39	59 Å²	59	18%	0.181	31%	0.312	C	S	.	.			trans	-65.9	123.9	-177.5	-165	-78	0	0	0	111.3	Y36 I37 N42 A43	Y36-H40 WeakPolarHBondContact O-CB 3.07Å; Y36-H40 PolarHBondContact O-N 2.93Å; I37-H40 WeakPolarHBondContact O-CB 3.44Å; I37-H40 PolarHBondContact O-N 3.29Å; H40-N42 PolarHBondContact CE1-OD1 3.43Å; H40-N42 PolarHBondContact ND1-OD1 2.91Å; H40-N42 VanDerWaalsContact ND1-OD1 3.08Å; H40-N42 PolarHBondContact O-N 3.31Å; H40-A43 HydrophobicContact CB-CB 4.14Å; H40-A43 PolarHBondContact O-N 3.39Å
41	P	95.1	Very high	95.8	Very high	110 Å²	110	61.1 Å²	61.1	71%	0.714	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.2	-163.6	23.8	-35.7	0	0	0	114.8
42	N	93.1	Very high	95.3	Very high	97 Å²	97	56.4 Å²	56.4	52%	0.519	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	22.6	-177.6	71.9	12	0	0	0	113.5	H40 G44 K277	H40-N42 PolarHBondContact CE1-OD1 3.43Å; H40-N42 PolarHBondContact ND1-OD1 2.91Å; H40-N42 VanDerWaalsContact ND1-OD1 3.08Å; H40-N42 PolarHBondContact O-N 3.31Å; N42-G44 VanDerWaalsContact C-N 3.25Å; N42-G44 PolarHBondContact O-N 3.36Å; N42-K277 WeakPolarHBondContact O-CE 3.41Å; N42-K277 PolarHBondContact O-NZ 2.8Å; N42-K277 PolarHBondContact OD1-NZ 3.08Å
43	A	96.2	Very high	94.9	Very high	6 Å²	6	51.3 Å²	51.3	5%	0.05	27%	0.268	C	S	.	.			trans	-50.4	-47.2	-176.8	0	0	0	0	0	112.4	H40 W45 K277 I279	H40-A43 HydrophobicContact CB-CB 4.14Å; H40-A43 PolarHBondContact O-N 3.39Å; A43-W45 VanDerWaalsContact O-CD1 3.22Å; A43-W45 PolarHBondContact O-N 3.42Å; A43-K277 VanDerWaalsContact O-CE 3.25Å; A43-K277 WeakPolarHBondContact O-CE 3.3Å; A43-I279 HydrophobicContact CB-CD1 3.45Å; A43-I279 VanDerWaalsContact CB-CD1 3.45Å
44	G	97	Very high	94.5	Very high	49 Å²	49	55.9 Å²	55.9	51%	0.505	29%	0.289	S	S	.	.			trans	83.6	-6.7	-176.1	0	0	0	0	0	113.6	N42 I275	N42-G44 VanDerWaalsContact C-N 3.25Å; N42-G44 PolarHBondContact O-N 3.36Å; G44-I275 CarbonylContact C-O 3.53Å; G44-I275 PolarHBondContact O-N 3.11Å
45	W	98.6	Very high	94.1	Very high	9 Å²	9	57.1 Å²	57.1	3%	0.034	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	164.6	178.9	62.6	-81.2	0	0	0	111.2	I37 A43 A47 D267 Y271 S273 Y276 K277 I279	I37-W45 HydrophobicContact CB-CH2 4.47Å; I37-W45 HydrophobicContact CD1-CH2 3.46Å; I37-W45 VanDerWaalsContact CD1-CH2 3.46Å; I37-W45 HydrophobicContact CD1-CZ2 3.99Å; I37-W45 HydrophobicContact CD1-CZ3 4.18Å; I37-W45 HydrophobicContact CG1-CH2 4.02Å; I37-W45 HydrophobicContact CG1-CZ2 4.07Å; I37-W45 HydrophobicContact CG2-CD2 3.97Å; I37-W45 HydrophobicContact CG2-CE3 3.98Å; I37-W45 HydrophobicContact CG2-CH2 3.72Å; I37-W45 HydrophobicContact CG2-CZ2 3.67Å; I37-W45 HydrophobicContact CG2-CZ3 3.86Å; A43-W45 VanDerWaalsContact O-CD1 3.22Å; A43-W45 PolarHBondContact O-N 3.42Å; W45-A47 HydrophobicContact CE3-CB 4.49Å; W45-A47 HydrophobicContact CH2-CB 4.48Å; W45-A47 HydrophobicContact CZ3-CB 3.87Å; W45-D267 HydrophobicContact CH2-CB 3.98Å; W45-D267 WeakPolarHBondContact CH2-O 2.89Å; W45-D267 HydrophobicContact CZ2-CB 4.11Å; W45-Y271 HydrophobicContact CB-CD2 4.34Å; W45-Y271 HydrophobicContact CB-CE2 4.18Å; W45-Y271 HydrophobicContact CD2-CD2 4.39Å; W45-Y271 AromaticContact CE3-CD2 3.88Å; W45-Y271 HydrophobicContact CE3-CD2 3.88Å; W45-S273 CarbonylContact C-O 3.55Å; W45-S273 WeakPolarHBondContact CA-O 3.35Å; W45-S273 VanDerWaalsContact CB-O 3.27Å; W45-S273 WeakPolarHBondContact CB-O 3.26Å; W45-Y276 HydrophobicContact CD2-CD2 4.07Å; W45-Y276 AromaticContact CE2-CD2 3.75Å; W45-Y276 HydrophobicContact CE3-CD2 4.48Å; W45-Y276 HydrophobicContact CG-CD2 4.5Å; W45-Y276 HydrophobicContact CH2-CD2 4.28Å; W45-Y276 HydrophobicContact CH2-CE2 4.26Å; W45-Y276 AromaticContact CZ2-CD2 3.88Å; W45-Y276 HydrophobicContact CZ2-CD2 3.88Å; W45-Y276 AromaticContact CZ2-CE2 3.87Å; W45-Y276 HydrophobicContact CZ2-CE2 3.87Å; W45-Y276 AromaticContact NE1-CD2 3.98Å; W45-K277 PolarHBondContact NE1-O 3.14Å; W45-I279 HydrophobicContact CZ2-CD1 4.48Å
46	R	98.3	Very high	93.9	Very high	154 Å²	154	56.4 Å²	56.4	58%	0.581	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.8	177.9	-66.4	-176	65.7	83.7	3.5	110.5	N38 K272 S273	N38-R46 WeakPolarHBondContact OD1-CA 3.27Å; R46-K272 WeakPolarHBondContact O-CB 3.37Å; R46-K272 PolarHBondContact O-N 2.79Å; R46-S273 PolarHBondContact N-O 3.3Å; R46-S273 PolarHBondContact O-N 3.09Å
47	A	98	Very high	93.6	Very high	6 Å²	6	59.4 Å²	59.4	5%	0.05	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.6	175.3	0	0	0	0	0	111.1	I34 I37 N38 W45 N270	I34-A47 HydrophobicContact CB-CB 4.42Å; I34-A47 HydrophobicContact CG1-CB 4.43Å; I34-A47 HydrophobicContact CG2-CB 4.14Å; I37-A47 HydrophobicContact CB-CB 3.92Å; I37-A47 HydrophobicContact CD1-CB 3.81Å; I37-A47 HydrophobicContact CG2-CB 3.79Å; N38-A47 PolarHBondContact ND2-O 3.41Å; N38-A47 PolarHBondContact OD1-N 3.04Å; N38-A47 PolarHBondContact OD1-O 3.3Å; W45-A47 HydrophobicContact CE3-CB 4.49Å; W45-A47 HydrophobicContact CH2-CB 4.48Å; W45-A47 HydrophobicContact CZ3-CB 3.87Å; A47-N270 CarbonylContact C-O 3.53Å; A47-N270 WeakPolarHBondContact CA-O 3.34Å; A47-N270 HydrophobicContact CB-CB 4.02Å
48	E	96.5	Very high	93.1	Very high	70 Å²	70	60.4 Å²	60.4	33%	0.327	32%	0.315	S	S	.	.			trans	-137.9	170	167.5	80.4	-177.9	-172.5	0	0	110.8	S50 N270 K272	E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 VanDerWaalsContact O-N 3.17Å; E48-N270 PolarHBondContact N-O 2.78Å; E48-N270 WeakPolarHBondContact O-CB 3.47Å; E48-N270 PolarHBondContact O-ND2 3.2Å; E48-K272 HydrophobicContact CB-CB 4.27Å; E48-K272 VanDerWaalsContact CD-CE 3.41Å; E48-K272 HydrophobicContact CG-CB 3.89Å; E48-K272 HydrophobicContact CG-CD 4.18Å; E48-K272 HydrophobicContact CG-CG 4.11Å; E48-K272 WeakPolarHBondContact OE1-CD 3.49Å; E48-K272 WeakPolarHBondContact OE1-CE 3.32Å; E48-K272 IonicContact OE1-NZ 3.64Å; E48-K272 PolarHBondContact OE1-NZ 3.28Å; E48-K272 WeakPolarHBondContact OE2-CD 3.26Å; E48-K272 VanDerWaalsContact OE2-CE 3.23Å; E48-K272 WeakPolarHBondContact OE2-CE 3.27Å; E48-K272 WeakPolarHBondContact OE2-CG 3.48Å; E48-K272 IonicContact OE2-NZ 2.82Å
49	K	93.9	Very high	92.8	Very high	129 Å²	129	57.9 Å²	57.9	56%	0.561	30%	0.302	S	S	*	.			trans	-59.7	122.2	174.3	-173.7	168	-171.6	158.8	0	109.3	I34 N51	I34-K49 HydrophobicContact CD1-CB 4.28Å; K49-N51 PolarHBondContact O-N 2.61Å
50	S	87.9	Confident	92.6	Very high	12 Å²	12	55.4 Å²	55.4	8%	0.084	29%	0.286	C	S	.	.			trans	-64.5	123.9	179.6	-161.8	0	0	0	0	109.4	E48 R52 F53 L269	E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 VanDerWaalsContact O-N 3.17Å; S50-R52 PolarHBondContact OG-N 3.24Å; S50-R52 VanDerWaalsContact OG-N 3.15Å; S50-F53 WeakPolarHBondContact OG-CD2 3.25Å; S50-F53 PolarHBondContact OG-N 3.01Å; S50-L269 WeakPolarHBondContact CB-O 3.45Å; S50-L269 PolarHBondContact OG-O 2.71Å
51	N	84.8	Confident	92.4	Very high	65 Å²	65	55.3 Å²	55.3	35%	0.348	29%	0.286	S	S	.	.	S	Bend	trans	-71.6	-32.1	161.4	-59.7	-31.9	0	0	0	108.3	K49 H197 T199	K49-N51 PolarHBondContact O-N 2.61Å; N51-H197 CarbonylContact C-O 3.13Å; N51-H197 CarbonylContact O-C 3.5Å; N51-H197 WeakPolarHBondContact O-CB 3.43Å; N51-T199 HydrophobicContact CB-CG2 3.52Å; N51-T199 WeakPolarHBondContact OD1-CG2 3.23Å
52	R	86.5	Confident	92.3	Very high	8 Å²	8	50 Å²	50	3%	0.03	25%	0.252	C	S	.	.	S	Bend	trans	-73	-37.3	-171	-156	166.3	179.1	98.4	0.4	115.8	S50 D110 H197 W309 N310	S50-R52 PolarHBondContact OG-N 3.24Å; S50-R52 VanDerWaalsContact OG-N 3.15Å; R52-D110 IonicContact CZ-OD1 3.56Å; R52-D110 IonicContact NH1-OD1 3.54Å; R52-D110 IonicContact NH1-OD2 2.83Å; R52-D110 IonicContact NH2-OD1 3.46Å; R52-D110 PolarHBondContact NH2-OD1 2.66Å; R52-H197 HydrophobicContact CB-CB 4.27Å; R52-H197 HydrophobicContact CG-CB 4.07Å; R52-H197 PolarHBondContact NH1-CE1 2.66Å; R52-H197 VanDerWaalsContact NH1-CE1 3.25Å; R52-H197 PolarHBondContact NH1-ND1 2.97Å; R52-H197 PolarHBondContact NH2-CE1 3.38Å; R52-H197 VanDerWaalsContact NH2-CE1 3.27Å; R52-H197 VanDerWaalsContact O-CB 3.26Å; R52-H197 WeakPolarHBondContact O-CB 3.44Å; R52-H197 PolarHBondContact O-CD2 2.98Å; R52-H197 VanDerWaalsContact O-CG 3.24Å; R52-W309 VanDerWaalsContact CZ-CA 3.45Å; R52-W309 VanDerWaalsContact CZ-CB 3.49Å; R52-W309 VanDerWaalsContact NE-CB 3.34Å; R52-W309 VanDerWaalsContact NE-CG 3.26Å; R52-W309 PolarHBondContact NH1-O 3.17Å; R52-N310 PolarHBondContact NH1-ND2 2.86Å
53	F	89.8	Confident	92.2	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	23%	0.23	C	C	.	.			trans	-130.9	133.9	-167.2	-46.9	-66.3	0	0	0	110.8	L29 S50 A59 Q62 L269 W309	L29-F53 HydrophobicContact CD1-CB 3.94Å; L29-F53 WeakPolarHBondContact CD1-O 3.44Å; L29-F53 HydrophobicContact CD2-CB 4.09Å; S50-F53 WeakPolarHBondContact OG-CD2 3.25Å; S50-F53 PolarHBondContact OG-N 3.01Å; F53-A59 HydrophobicContact CB-CB 4.49Å; F53-A59 HydrophobicContact CD1-CB 3.87Å; F53-A59 HydrophobicContact CE1-CB 4.25Å; F53-A59 HydrophobicContact CG-CB 4.12Å; F53-Q62 HydrophobicContact CE1-CB 4.26Å; F53-L269 HydrophobicContact CD2-CB 3.88Å; F53-L269 HydrophobicContact CD2-CD2 3.9Å; F53-L269 HydrophobicContact CD2-CG 4.34Å; F53-L269 HydrophobicContact CE2-CB 4.44Å; F53-L269 HydrophobicContact CE2-CD2 3.9Å; F53-L269 HydrophobicContact CG-CD2 4.48Å; F53-L269 HydrophobicContact CZ-CD2 4.48Å; F53-W309 AromaticContact CE2-CE3 3.97Å; F53-W309 HydrophobicContact CE2-CE3 3.97Å; F53-W309 HydrophobicContact CE2-CH2 4.07Å; F53-W309 AromaticContact CE2-CZ3 3.67Å; F53-W309 HydrophobicContact CE2-CZ3 3.67Å; F53-W309 AromaticContact CZ-CD2 3.85Å; F53-W309 HydrophobicContact CZ-CD2 3.85Å; F53-W309 AromaticContact CZ-CE2 3.93Å; F53-W309 AromaticContact CZ-CE3 3.61Å; F53-W309 HydrophobicContact CZ-CE3 3.61Å; F53-W309 AromaticContact CZ-CH2 3.66Å; F53-W309 HydrophobicContact CZ-CH2 3.66Å; F53-W309 AromaticContact CZ-CZ2 3.86Å; F53-W309 HydrophobicContact CZ-CZ2 3.86Å; F53-W309 AromaticContact CZ-CZ3 3.53Å; F53-W309 HydrophobicContact CZ-CZ3 3.53Å
54	H	86.5	Confident	92.1	Very high	95 Å²	95	46.1 Å²	46.1	44%	0.44	23%	0.232	S	C	.	.	S	Bend	trans	-115.8	-11.4	174.9	-78.1	-100.7	0	0	0	113	H198	H54-H198 WeakPolarHBondContact CD2-CB 3.3Å; H54-H198 AromaticContact CD2-CD2 2.9Å; H54-H198 PolarHBondContact CD2-CD2 2.59Å; H54-H198 AromaticContact CD2-CE1 3.61Å; H54-H198 AromaticContact CD2-CG 2.98Å; H54-H198 AromaticContact CD2-ND1 3.44Å; H54-H198 PolarHBondContact CD2-ND1 2.76Å; H54-H198 AromaticContact CD2-NE2 3.36Å; H54-H198 PolarHBondContact CD2-NE2 2.98Å; H54-H198 AromaticContact CE1-CG 3.77Å; H54-H198 AromaticContact CE1-ND1 3.97Å; H54-H198 AromaticContact CG-CD2 3.73Å; H54-H198 AromaticContact CG-CE1 3.65Å; H54-H198 AromaticContact CG-CG 3.69Å; H54-H198 AromaticContact CG-ND1 3.64Å; H54-H198 AromaticContact CG-NE2 3.74Å; H54-H198 AromaticContact ND1-ND1 3.99Å; H54-H198 WeakPolarHBondContact NE2-CB 3.47Å; H54-H198 AromaticContact NE2-CD2 3.47Å; H54-H198 PolarHBondContact NE2-CD2 3.13Å; H54-H198 AromaticContact NE2-CG 3.06Å; H54-H198 AromaticContact NE2-ND1 3.67Å
55	S	90.6	Very high	92.2	Very high	43 Å²	43	44.3 Å²	44.3	30%	0.301	21%	0.213	S	C	.	.	S	Bend	trans	-149.5	159.4	178.1	65.8	0	0	0	0	109.1	D57 D58 A59	S55-D57 PolarHBondContact O-N 3.06Å; S55-D58 PolarHBondContact O-N 2.96Å; S55-D58 PolarHBondContact OG-N 3.08Å; S55-D58 VanDerWaalsContact OG-N 3.08Å; S55-D58 PolarHBondContact OG-OD2 3.11Å; S55-A59 PolarHBondContact O-N 3.48Å
56	L	92.2	Very high	92.1	Very high	37 Å²	37	48.5 Å²	48.5	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-31.1	171.8	-63.3	-173.4	0	0	0	112.1	P28 A59 R60 E266 L269 L284	P28-L56 HydrophobicContact CB-CD2 3.53Å; P28-L56 HydrophobicContact CB-CG 4.22Å; P28-L56 HydrophobicContact CG-CD1 4.14Å; P28-L56 HydrophobicContact CG-CD2 3.97Å; P28-L56 HydrophobicContact CG-CG 4.32Å; L56-A59 PolarHBondContact O-N 2.74Å; L56-R60 WeakPolarHBondContact O-CB 3.4Å; L56-R60 VanDerWaalsContact O-CG 3.3Å; L56-R60 WeakPolarHBondContact O-CG 3.49Å; L56-R60 PolarHBondContact O-N 3.39Å; L56-E266 HydrophobicContact CD2-CG 4.13Å; L56-L269 HydrophobicContact CD2-CD1 4.05Å; L56-L284 HydrophobicContact CB-CD2 4.41Å; L56-L284 HydrophobicContact CD1-CD2 3.98Å; L56-L284 HydrophobicContact CD2-CD1 4.03Å; L56-L284 HydrophobicContact CD2-CD2 3.71Å; L56-L284 HydrophobicContact CG-CD2 4.25Å
57	D	91	Very high	92	Very high	104 Å²	104	50.5 Å²	50.5	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-68.5	-37.7	178	-70	-14.5	0	0	0	111.7	S55 A59 R60 I61	S55-D57 PolarHBondContact O-N 3.06Å; D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 3.09Å; D57-R60 PolarHBondContact O-N 3.15Å; D57-R60 IonicContact OD1-NH1 2.61Å; D57-R60 PolarHBondContact OD1-NH1 3.32Å; D57-I61 WeakPolarHBondContact O-CG1 3.46Å; D57-I61 WeakPolarHBondContact O-CG2 3.42Å; D57-I61 PolarHBondContact O-N 2.9Å
58	D	87.5	Confident	92	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-35.7	172.2	-70.8	-46.6	0	0	0	112.3	S55 I61 Q62 R113	S55-D58 PolarHBondContact O-N 2.96Å; S55-D58 PolarHBondContact OG-N 3.08Å; S55-D58 VanDerWaalsContact OG-N 3.08Å; S55-D58 PolarHBondContact OG-OD2 3.11Å; D58-I61 WeakPolarHBondContact O-CG1 3.37Å; D58-Q62 VanDerWaalsContact O-CG 3.32Å; D58-Q62 WeakPolarHBondContact O-CG 3.34Å; D58-Q62 PolarHBondContact O-NE2 3.21Å; D58-R113 IonicContact OD1-CZ 3.6Å; D58-R113 VanDerWaalsContact OD1-CZ 3.31Å; D58-R113 IonicContact OD1-NH1 2.75Å; D58-R113 PolarHBondContact OD1-NH1 3.05Å; D58-R113 IonicContact OD1-NH2 3.48Å; D58-R113 PolarHBondContact OD1-NH2 3.11Å
59	A	92	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-48.9	174.6	0	0	0	0	0	111.3	F53 S55 L56 D57 I61 Q62 M63 L269	F53-A59 HydrophobicContact CB-CB 4.49Å; F53-A59 HydrophobicContact CD1-CB 3.87Å; F53-A59 HydrophobicContact CE1-CB 4.25Å; F53-A59 HydrophobicContact CG-CB 4.12Å; S55-A59 PolarHBondContact O-N 3.48Å; L56-A59 PolarHBondContact O-N 2.74Å; D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 3.09Å; A59-I61 VanDerWaalsContact C-N 3.35Å; A59-I61 PolarHBondContact O-N 2.93Å; A59-Q62 CarbonylContact O-C 3.34Å; A59-Q62 WeakPolarHBondContact O-CA 2.99Å; A59-Q62 PolarHBondContact O-N 3.1Å; A59-M63 HydrophobicContact CB-CE 4.36Å; A59-M63 PolarHBondContact O-N 3.07Å; A59-L269 HydrophobicContact CB-CD1 3.6Å; A59-L269 HydrophobicContact CB-CD2 3.68Å; A59-L269 HydrophobicContact CB-CG 4.31Å
60	R	93.4	Very high	92.2	Very high	106 Å²	106	48.7 Å²	48.7	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-57.4	-42.6	-176.2	-76.1	177.6	-169.6	122.1	2.9	113.1	L56 D57 Q62 M63	L56-R60 WeakPolarHBondContact O-CB 3.4Å; L56-R60 VanDerWaalsContact O-CG 3.3Å; L56-R60 WeakPolarHBondContact O-CG 3.49Å; L56-R60 PolarHBondContact O-N 3.39Å; D57-R60 PolarHBondContact O-N 3.15Å; D57-R60 IonicContact OD1-NH1 2.61Å; D57-R60 PolarHBondContact OD1-NH1 3.32Å; R60-Q62 PolarHBondContact O-N 2.76Å; R60-M63 HydrophobicContact CB-CE 4.46Å; R60-M63 HydrophobicContact CG-CE 4.16Å; R60-M63 PolarHBondContact O-N 2.86Å; R60-M63 VanDerWaalsContact O-N 3.15Å
61	I	92.2	Very high	92.6	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.185	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.4	178.7	68.4	174.7	0	0	0	113.7	D57 D58 A59 R113 C114 G115 I210	D57-I61 WeakPolarHBondContact O-CG1 3.46Å; D57-I61 WeakPolarHBondContact O-CG2 3.42Å; D57-I61 PolarHBondContact O-N 2.9Å; D58-I61 WeakPolarHBondContact O-CG1 3.37Å; A59-I61 VanDerWaalsContact C-N 3.35Å; A59-I61 PolarHBondContact O-N 2.93Å; I61-R113 HydrophobicContact CD1-CB 4.1Å; I61-R113 HydrophobicContact CD1-CG 4.42Å; I61-R113 VanDerWaalsContact CD1-CZ 3.42Å; I61-R113 VanDerWaalsContact CD1-NH2 3.27Å; I61-C114 CarbonylContact O-C 3.55Å; I61-G115 WeakPolarHBondContact O-CA 3.29Å; I61-G115 PolarHBondContact O-N 3.37Å; I61-I210 HydrophobicContact CD1-CG1 4.11Å; I61-I210 HydrophobicContact CG2-CG2 4.48Å
62	Q	91.6	Very high	93.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	9.1	176.6	-61.4	-175.7	65	0	0	112.1	F53 D58 A59 R60 Q111 H197 W309	F53-Q62 HydrophobicContact CE1-CB 4.26Å; D58-Q62 VanDerWaalsContact O-CG 3.32Å; D58-Q62 WeakPolarHBondContact O-CG 3.34Å; D58-Q62 PolarHBondContact O-NE2 3.21Å; A59-Q62 CarbonylContact O-C 3.34Å; A59-Q62 WeakPolarHBondContact O-CA 2.99Å; A59-Q62 PolarHBondContact O-N 3.1Å; R60-Q62 PolarHBondContact O-N 2.76Å; Q62-Q111 VanDerWaalsContact C-NE2 3.29Å; Q62-Q111 VanDerWaalsContact O-CD 3.27Å; Q62-Q111 PolarHBondContact O-NE2 2.89Å; Q62-Q111 PolarHBondContact O-OE1 2.87Å; Q62-H197 PolarHBondContact NE2-NE2 2.72Å; Q62-H197 VanDerWaalsContact NE2-NE2 3.11Å; Q62-H197 PolarHBondContact OE1-CE1 2.71Å; Q62-H197 PolarHBondContact OE1-NE2 3.13Å; Q62-W309 PolarHBondContact O-NE1 2.96Å; Q62-W309 VanDerWaalsContact O-NE1 3.13Å
63	M	92.2	Very high	93.8	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.049	26%	0.257	C	S	.	.			trans	-115.9	165.3	166.5	-63.6	-179.4	-67.6	0	0	108.1	A59 R60 G115 V264 L284 H287 W309	A59-M63 HydrophobicContact CB-CE 4.36Å; A59-M63 PolarHBondContact O-N 3.07Å; R60-M63 HydrophobicContact CB-CE 4.46Å; R60-M63 HydrophobicContact CG-CE 4.16Å; R60-M63 PolarHBondContact O-N 2.86Å; R60-M63 VanDerWaalsContact O-N 3.15Å; M63-G115 WeakPolarHBondContact O-CA 3.43Å; M63-V264 HydrophobicContact SD-CB 3.48Å; M63-V264 WeakPolarHBondContact SD-CB 3.48Å; M63-V264 HydrophobicContact SD-CG1 3.64Å; M63-V264 HydrophobicContact SD-CG2 3.62Å; M63-L284 HydrophobicContact CE-CB 3.7Å; M63-H287 HydrophobicContact CG-CB 4.21Å; M63-W309 HydrophobicContact CG-CZ2 4.2Å
64	G	94.4	Very high	94.2	Very high	10 Å²	10	60.1 Å²	60.1	10%	0.103	28%	0.283	C	S	.	.			trans	175.7	27.7	-172.2	0	0	0	0	0	114.6	G115 C117 G160 G161 G286	G64-G115 WeakPolarHBondContact CA-O 3.13Å; G64-C117 VanDerWaalsContact CA-SG 3.59Å; G64-C117 PolarHBondContact N-SG 2.89Å; G64-G160 CarbonylContact O-C 3.51Å; G64-G160 WeakPolarHBondContact O-CA 3.28Å; G64-G161 PolarHBondContact O-N 2.77Å; G64-G286 PolarHBondContact N-O 3.07Å
65	A	97.4	Very high	94.7	Very high	11 Å²	11	60.4 Å²	60.4	9%	0.091	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-102.6	129.8	172	0	0	0	0	0	109.5	C117 L163 G286 A288	A65-C117 PolarHBondContact N-SG 3.11Å; A65-C117 VanDerWaalsContact N-SG 3.44Å; A65-L163 HydrophobicContact CB-CD1 4.02Å; A65-G286 PolarHBondContact N-O 2.98Å; A65-G286 CarbonylContact O-C 3.52Å; A65-G286 VanDerWaalsContact O-CA 3.31Å; A65-G286 WeakPolarHBondContact O-CA 3.44Å; A65-A288 HydrophobicContact CB-CB 3.88Å
66	R	97	Very high	95.1	Very high	98 Å²	98	63.6 Å²	63.6	37%	0.37	30%	0.296	S	S	.	.			trans	-115.3	142.9	168.8	-67.3	-171.8	-68.3	-90.3	-5.3	108.5	E68 E159 G160 G161	R66-E68 PolarHBondContact O-N 2.64Å; R66-E159 PolarHBondContact NH1-O 2.97Å; R66-G160 PolarHBondContact NH2-O 3.35Å; R66-G161 PolarHBondContact N-O 2.86Å
67	R	96.3	Very high	95.3	Very high	196 Å²	196	62.3 Å²	62.3	74%	0.74	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-60.6	133.3	174.5	-67.5	-167.9	-76.9	117.1	-6.3	110.1	E333	R67-E333 WeakPolarHBondContact CA-OE2 3.38Å
68	E	97.8	Very high	95.7	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.023	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-63.1	142.5	165.8	-166.1	165.3	-159.1	0	0	109.7	R66 R73 R76 I162 E333	R66-E68 PolarHBondContact O-N 2.64Å; E68-R73 HydrophobicContact CB-CB 4.03Å; E68-R73 HydrophobicContact CG-CB 3.88Å; E68-R76 WeakPolarHBondContact OE1-CD 3.06Å; E68-R76 IonicContact OE1-CZ 3.66Å; E68-R76 IonicContact OE1-NE 3.85Å; E68-R76 IonicContact OE1-NH1 2.71Å; E68-R76 PolarHBondContact OE1-NH1 2.84Å; E68-I162 HydrophobicContact CB-CG2 3.43Å; E68-I162 VanDerWaalsContact CB-CG2 3.43Å; E68-I162 HydrophobicContact CG-CG2 3.83Å; E68-E333 PolarHBondContact N-OE1 2.92Å
69	E	97.3	Very high	96.2	Very high	86 Å²	86	64.1 Å²	64.1	40%	0.402	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-58.1	127.3	173.6	-168.3	-71.3	128	0	0	108.6	D71 L72 R73	E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 VanDerWaalsContact CD-N 3.33Å; E69-D71 PolarHBondContact O-N 3.29Å; E69-D71 PolarHBondContact OE1-N 3.37Å; E69-D71 VanDerWaalsContact OE1-N 3.08Å; E69-D71 WeakPolarHBondContact OE2-CA 3.37Å; E69-D71 VanDerWaalsContact OE2-CB 3.29Å; E69-D71 WeakPolarHBondContact OE2-CB 3.35Å; E69-D71 PolarHBondContact OE2-N 2.85Å; E69-L72 HydrophobicContact CB-CB 4.29Å; E69-L72 HydrophobicContact CB-CD1 3.96Å; E69-L72 HydrophobicContact CB-CG 4.18Å; E69-L72 PolarHBondContact O-N 3.11Å; E69-L72 VanDerWaalsContact O-N 3.14Å; E69-L72 WeakPolarHBondContact OE2-CG 3.28Å; E69-L72 PolarHBondContact OE2-N 2.8Å; E69-R73 PolarHBondContact O-N 2.03Å
70	P	97.1	Very high	96.6	Very high	76 Å²	76	65.8 Å²	65.8	49%	0.494	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-37.8	-169.5	-30.5	36.1	0	0	0	115.6	R74	P70-R74 WeakPolarHBondContact O-CB 3.47Å; P70-R74 PolarHBondContact O-N 2.77Å; P70-R74 VanDerWaalsContact O-N 3.11Å
71	D	97.3	Very high	96.8	Very high	83 Å²	83	63.4 Å²	63.4	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-68.4	-45.8	177.4	-70.6	-25.8	0	0	0	110.9	E69 R73 R74 T75	E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 VanDerWaalsContact CD-N 3.33Å; E69-D71 PolarHBondContact O-N 3.29Å; E69-D71 PolarHBondContact OE1-N 3.37Å; E69-D71 VanDerWaalsContact OE1-N 3.08Å; E69-D71 WeakPolarHBondContact OE2-CA 3.37Å; E69-D71 VanDerWaalsContact OE2-CB 3.29Å; E69-D71 WeakPolarHBondContact OE2-CB 3.35Å; E69-D71 PolarHBondContact OE2-N 2.85Å; D71-R73 PolarHBondContact O-N 2.77Å; D71-R74 PolarHBondContact O-N 2.79Å; D71-R74 IonicContact OD1-CZ 3.53Å; D71-R74 IonicContact OD1-NH1 3.15Å; D71-R74 PolarHBondContact OD1-NH1 2.93Å; D71-R74 IonicContact OD1-NH2 2.72Å; D71-R74 PolarHBondContact OD1-NH2 3.43Å; D71-T75 WeakPolarHBondContact O-CG2 3.24Å; D71-T75 PolarHBondContact O-N 2.83Å; D71-T75 PolarHBondContact O-OG1 2.82Å; D71-T75 VanDerWaalsContact O-OG1 3.06Å
72	L	98	Very high	97.1	Very high	69 Å²	69	63 Å²	63	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-59.3	-45.8	175	-65.6	179.7	0	0	0	111.7	E69 R74 T75 R76	E69-L72 HydrophobicContact CB-CB 4.29Å; E69-L72 HydrophobicContact CB-CD1 3.96Å; E69-L72 HydrophobicContact CB-CG 4.18Å; E69-L72 PolarHBondContact O-N 3.11Å; E69-L72 VanDerWaalsContact O-N 3.14Å; E69-L72 WeakPolarHBondContact OE2-CG 3.28Å; E69-L72 PolarHBondContact OE2-N 2.8Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 2.65Å; L72-T75 PolarHBondContact O-N 3.01Å; L72-R76 VanDerWaalsContact O-CB 3.23Å; L72-R76 WeakPolarHBondContact O-CB 3.41Å; L72-R76 WeakPolarHBondContact O-CD 3.36Å; L72-R76 WeakPolarHBondContact O-CG 3.18Å; L72-R76 PolarHBondContact O-N 3.43Å
73	R	98.2	Very high	97.3	Very high	30 Å²	30	66.9 Å²	66.9	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-41.9	177	-176.7	173	171.3	76.8	1.5	111.4	E68 E69 D71 N240 V334 T335	E68-R73 HydrophobicContact CB-CB 4.03Å; E68-R73 HydrophobicContact CG-CB 3.88Å; E69-R73 PolarHBondContact O-N 2.03Å; D71-R73 PolarHBondContact O-N 2.77Å; R73-N240 PolarHBondContact NH1-OD1 3.28Å; R73-N240 VanDerWaalsContact NH1-OD1 3.09Å; R73-N240 PolarHBondContact NH2-OD1 2.88Å; R73-N240 PolarHBondContact O-ND2 3.13Å; R73-V334 PolarHBondContact NH2-O 3.11Å; R73-T335 PolarHBondContact NH1-OG1 2.97Å; R73-T335 VanDerWaalsContact NH1-OG1 3.08Å
74	R	97.4	Very high	97.6	Very high	146 Å²	146	74.3 Å²	74.3	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-71	-37	-179.9	-174.7	179.6	66.7	-110.4	-0.7	112.7	P70 D71 L72	P70-R74 WeakPolarHBondContact O-CB 3.47Å; P70-R74 PolarHBondContact O-N 2.77Å; P70-R74 VanDerWaalsContact O-N 3.11Å; D71-R74 PolarHBondContact O-N 2.79Å; D71-R74 IonicContact OD1-CZ 3.53Å; D71-R74 IonicContact OD1-NH1 3.15Å; D71-R74 PolarHBondContact OD1-NH1 2.93Å; D71-R74 IonicContact OD1-NH2 2.72Å; D71-R74 PolarHBondContact OD1-NH2 3.43Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 2.65Å
75	T	97.6	Very high	97.7	Very high	101 Å²	101	77.3 Å²	77.3	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-94.3	-24.5	-172.9	59.8	0	0	0	0	114.4	D71 L72	D71-T75 WeakPolarHBondContact O-CG2 3.24Å; D71-T75 PolarHBondContact O-N 2.83Å; D71-T75 PolarHBondContact O-OG1 2.82Å; D71-T75 VanDerWaalsContact O-OG1 3.06Å; L72-T75 PolarHBondContact O-N 3.01Å
76	R	98	Very high	97.7	Very high	109 Å²	109	83.9 Å²	83.9	41%	0.411	41%	0.411	S	S	.	.	H	α-helix	trans	-71.5	-31.1	-177.9	-78.1	170.3	172.4	173	-4.6	113.3	E68 L72	E68-R76 WeakPolarHBondContact OE1-CD 3.06Å; E68-R76 IonicContact OE1-CZ 3.66Å; E68-R76 IonicContact OE1-NE 3.85Å; E68-R76 IonicContact OE1-NH1 2.71Å; E68-R76 PolarHBondContact OE1-NH1 2.84Å; L72-R76 VanDerWaalsContact O-CB 3.23Å; L72-R76 WeakPolarHBondContact O-CB 3.41Å; L72-R76 WeakPolarHBondContact O-CD 3.36Å; L72-R76 WeakPolarHBondContact O-CG 3.18Å; L72-R76 PolarHBondContact O-N 3.43Å
77	R	98.3	Very high	97.7	Very high	11 Å²	11	81.8 Å²	81.8	4%	0.042	41%	0.409	C	S	.	.	S	Bend	trans	-150.4	158.8	-176.3	72.1	-170.8	76.7	-105	-9.5	112.1	G164 D168 S238 N240	R77-G164 PolarHBondContact NH1-O 3.05Å; R77-G164 PolarHBondContact NH2-O 2.96Å; R77-D168 VanDerWaalsContact CZ-CG 3.44Å; R77-D168 IonicContact CZ-OD1 3.69Å; R77-D168 IonicContact CZ-OD2 3.28Å; R77-D168 VanDerWaalsContact NH1-CG 3.29Å; R77-D168 IonicContact NH1-OD1 3.61Å; R77-D168 PolarHBondContact NH1-OD1 2.81Å; R77-D168 IonicContact NH1-OD2 2.71Å; R77-D168 IonicContact NH2-OD1 2.56Å; R77-D168 PolarHBondContact NH2-OD1 3.21Å; R77-D168 IonicContact NH2-OD2 3.53Å; R77-D168 PolarHBondContact NH2-OD2 3.3Å; R77-S238 PolarHBondContact NH1-OG 3.03Å; R77-N240 VanDerWaalsContact CD-OD1 3.29Å; R77-N240 WeakPolarHBondContact CD-OD1 3.4Å; R77-N240 WeakPolarHBondContact CG-ND2 3.49Å
78	P	98.5	Very high	97.8	Very high	89 Å²	89	80.9 Å²	80.9	58%	0.578	41%	0.414	S	S	*	.			trans	-63.7	158.6	172.8	-19.3	32.5	0	0	0	112.7	Y239 N240	P78-Y239 WeakPolarHBondContact O-CA 3.36Å; P78-Y239 WeakPolarHBondContact O-CB 3.33Å; P78-N240 PolarHBondContact O-N 3.34Å
79	T	98.8	Very high	97.8	Very high	74 Å²	74	82.6 Å²	82.6	45%	0.454	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.2	167.2	-59.7	0	0	0	0	109	N240 K242	T79-N240 CarbonylContact C-O 3.22Å; T79-N240 WeakPolarHBondContact CA-O 3.27Å; T79-N240 HydrophobicContact CG2-CB 4.14Å; T79-N240 PolarHBondContact OG1-ND2 3.34Å; T79-K242 HydrophobicContact CG2-CB 4.05Å
80	V	98.7	Very high	97.9	Very high	35 Å²	35	81 Å²	81	21%	0.212	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	143	177.4	-56.5	0	0	0	0	110.9	Y239 N240 V241 K242	V80-Y239 HydrophobicContact CB-CD2 4.4Å; V80-Y239 HydrophobicContact CG1-CD2 3.9Å; V80-Y239 HydrophobicContact CG1-CE2 4.4Å; V80-Y239 HydrophobicContact CG1-CG 3.99Å; V80-Y239 HydrophobicContact CG2-CD2 3.58Å; V80-Y239 HydrophobicContact CG2-CE2 3.75Å; V80-Y239 HydrophobicContact CG2-CG 4.48Å; V80-N240 PolarHBondContact N-O 3.16Å; V80-V241 HydrophobicContact CG2-CG2 4.2Å; V80-K242 PolarHBondContact O-N 2.96Å
81	D	98.4	Very high	97.9	Very high	56 Å²	56	82 Å²	82	30%	0.299	43%	0.428	S	S	.	.			trans	-123.8	-17.4	177.9	61.1	22.3	0	0	0	113.7	N83 K242 A247	D81-N83 PolarHBondContact O-N 2.78Å; D81-N83 WeakPolarHBondContact OD1-CB 3.4Å; D81-N83 PolarHBondContact OD1-N 3.27Å; D81-N83 PolarHBondContact OD2-ND2 3.35Å; D81-K242 HydrophobicContact CB-CB 4.11Å; D81-K242 HydrophobicContact CB-CD 3.75Å; D81-A247 VanDerWaalsContact O-CB 3.28Å; D81-A247 WeakPolarHBondContact O-CB 3.39Å
82	H	98.2	Very high	98	Very high	28 Å²	28	81.4 Å²	81.4	13%	0.13	43%	0.431	C	S	.	.			trans	55.3	32.2	-175.1	-54.5	-64.6	0	0	0	113.9	W85 K250 E251 Y255	H82-W85 HydrophobicContact CB-CE3 4.45Å; H82-W85 PolarHBondContact O-N 2.95Å; H82-K250 HydrophobicContact CB-CB 3.91Å; H82-K250 HydrophobicContact CB-CD 3.65Å; H82-K250 HydrophobicContact CB-CG 4.44Å; H82-K250 WeakPolarHBondContact O-CD 3.04Å; H82-K250 PolarHBondContact O-NZ 3.1Å; H82-E251 IonicContact CD2-OE2 2.72Å; H82-E251 IonicContact CE1-OE2 3.86Å; H82-E251 PolarHBondContact CE1-OE2 2.81Å; H82-E251 VanDerWaalsContact CE1-OE2 3.27Å; H82-E251 IonicContact NE2-OE2 3.36Å; H82-E251 PolarHBondContact NE2-OE2 3.36Å; H82-Y255 AromaticContact CE1-CE2 3.66Å
83	N	97.2	Very high	98	Very high	82 Å²	82	79.3 Å²	79.3	44%	0.439	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-41	-180	-82.8	-30.5	0	0	0	112.8	D81 W85	D81-N83 PolarHBondContact O-N 2.78Å; D81-N83 WeakPolarHBondContact OD1-CB 3.4Å; D81-N83 PolarHBondContact OD1-N 3.27Å; D81-N83 PolarHBondContact OD2-ND2 3.35Å; N83-W85 PolarHBondContact O-N 2.84Å
84	D	96.9	Very high	98.1	Very high	165 Å²	165	79 Å²	79	88%	0.882	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.2	-179.4	-61.3	-31	0	0	0	113.7	N86	D84-N86 PolarHBondContact O-N 2.89Å
85	W	97.5	Very high	98.1	Very high	74 Å²	74	72 Å²	72	28%	0.28	39%	0.393	S	S	.	.			trans	-97.6	89.2	177.4	-175.9	35.7	0	0	0	110.5	H82 N83 V87 K250 M253 K254	H82-W85 HydrophobicContact CB-CE3 4.45Å; H82-W85 PolarHBondContact O-N 2.95Å; N83-W85 PolarHBondContact O-N 2.84Å; W85-V87 HydrophobicContact CD2-CB 4.25Å; W85-V87 HydrophobicContact CD2-CG1 3.71Å; W85-V87 HydrophobicContact CE3-CG1 3.94Å; W85-V87 HydrophobicContact CG-CG1 4.28Å; W85-V87 HydrophobicContact CH2-CG1 3.95Å; W85-V87 HydrophobicContact CZ2-CB 3.95Å; W85-V87 HydrophobicContact CZ2-CG1 3.75Å; W85-V87 HydrophobicContact CZ2-CG2 3.86Å; W85-V87 HydrophobicContact CZ3-CG1 4.03Å; W85-V87 PolarHBondContact O-N 2.74Å; W85-K250 HydrophobicContact CE3-CB 3.93Å; W85-K250 HydrophobicContact CE3-CD 4.18Å; W85-K250 HydrophobicContact CE3-CG 4.07Å; W85-K250 HydrophobicContact CZ3-CB 3.74Å; W85-K250 HydrophobicContact CZ3-CG 4.06Å; W85-K250 WeakPolarHBondContact CZ3-O 3.48Å; W85-K250 WeakPolarHBondContact O-CE 3.44Å; W85-K250 PolarHBondContact O-NZ 3.13Å; W85-M253 HydrophobicContact CH2-CE 3.54Å; W85-M253 HydrophobicContact CH2-CG 4.21Å; W85-M253 HydrophobicContact CZ2-CE 4.22Å; W85-M253 HydrophobicContact CZ3-CE 3.91Å; W85-K254 HydrophobicContact CD2-CD 4.22Å; W85-K254 HydrophobicContact CE3-CD 3.82Å; W85-K254 HydrophobicContact CH2-CB 3.63Å; W85-K254 HydrophobicContact CH2-CD 3.66Å; W85-K254 HydrophobicContact CH2-CG 3.99Å; W85-K254 HydrophobicContact CZ2-CD 4.03Å; W85-K254 HydrophobicContact CZ3-CB 3.64Å; W85-K254 HydrophobicContact CZ3-CD 3.54Å; W85-K254 HydrophobicContact CZ3-CG 4.14Å
86	N	96.4	Very high	98.2	Very high	149 Å²	149	71 Å²	71	80%	0.797	38%	0.378	S	S	*	.			trans	-76.7	107.9	173.5	-71	-40.7	0	0	0	110.1	D84	D84-N86 PolarHBondContact O-N 2.89Å
87	V	97.8	Very high	98.2	Very high	54 Å²	54	73.9 Å²	73.9	33%	0.327	39%	0.393	S	S	.	.			trans	-143.4	142.8	-177.1	59.4	0	0	0	0	109	W85 I89 K250 M253	W85-V87 HydrophobicContact CD2-CB 4.25Å; W85-V87 HydrophobicContact CD2-CG1 3.71Å; W85-V87 HydrophobicContact CE3-CG1 3.94Å; W85-V87 HydrophobicContact CG-CG1 4.28Å; W85-V87 HydrophobicContact CH2-CG1 3.95Å; W85-V87 HydrophobicContact CZ2-CB 3.95Å; W85-V87 HydrophobicContact CZ2-CG1 3.75Å; W85-V87 HydrophobicContact CZ2-CG2 3.86Å; W85-V87 HydrophobicContact CZ3-CG1 4.03Å; W85-V87 PolarHBondContact O-N 2.74Å; V87-I89 PolarHBondContact O-N 3.08Å; V87-K250 HydrophobicContact CG1-CD 4.35Å; V87-K250 HydrophobicContact CG1-CG 4.1Å; V87-M253 HydrophobicContact CB-CE 4.22Å; V87-M253 HydrophobicContact CG1-CE 3.31Å; V87-M253 HydrophobicContact CG2-CE 3.83Å
88	E	97.8	Very high	98.2	Very high	177 Å²	177	78.3 Å²	78.3	83%	0.827	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-70.5	120.9	171.1	-170.3	-177.4	163.6	0	0	109.5
89	I	98.6	Very high	98.3	Very high	40 Å²	40	76 Å²	76	21%	0.205	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-89.4	122	178.3	-58.8	173.7	0	0	0	107.6	V87 K246 Q249 K250 M253 W294	V87-I89 PolarHBondContact O-N 3.08Å; I89-K246 HydrophobicContact CD1-CB 3.92Å; I89-K246 HydrophobicContact CD1-CG 4.02Å; I89-Q249 HydrophobicContact CD1-CB 4.15Å; 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 4.32Å; I89-M253 HydrophobicContact CG1-CE 4.01Å; I89-M253 HydrophobicContact CG2-SD 4.48Å; I89-W294 HydrophobicContact CG2-CH2 4.31Å; I89-W294 HydrophobicContact CG2-CZ2 3.52Å
90	P	98.6	Very high	98.2	Very high	54 Å²	54	76.2 Å²	76.2	35%	0.351	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-64.8	148.6	179.5	29	-36.1	0	0	0	110.9	S92 F93 W294	P90-S92 WeakPolarHBondContact CB-O 3.15Å; P90-S92 PolarHBondContact O-N 3.02Å; P90-F93 HydrophobicContact CG-CB 4.39Å; P90-F93 HydrophobicContact CG-CD2 4.39Å; P90-W294 HydrophobicContact CG-CZ2 4.07Å; P90-W294 PolarHBondContact O-NE1 3.44Å
91	S	98.2	Very high	98.2	Very high	95 Å²	95	84.7 Å²	84.7	66%	0.664	42%	0.424	S	S	*	.	S	Bend	trans	-63.3	-22.3	179.3	59.8	0	0	0	0	113.8
92	S	98.8	Very high	98.2	Very high	72 Å²	72	82.5 Å²	82.5	50%	0.503	41%	0.412	S	S	.	.			trans	-141	147.5	171.6	62.8	0	0	0	0	111.2	P90 W294	P90-S92 WeakPolarHBondContact CB-O 3.15Å; P90-S92 PolarHBondContact O-N 3.02Å; S92-W294 CarbonylContact C-O 3.59Å; S92-W294 WeakPolarHBondContact CA-O 3.32Å
93	F	98.9	Very high	98.2	Very high	24 Å²	24	88 Å²	88	11%	0.105	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	137.8	179.5	-177.7	-90.6	0	0	0	110	P90 S95 K98 W99 I252 M253 G293 W294	P90-F93 HydrophobicContact CG-CB 4.39Å; P90-F93 HydrophobicContact CG-CD2 4.39Å; F93-S95 WeakPolarHBondContact CE1-OG 3.04Å; F93-K98 HydrophobicContact CE2-CB 4.17Å; F93-K98 HydrophobicContact CE2-CD 3.54Å; F93-K98 HydrophobicContact CE2-CG 4.47Å; F93-K98 HydrophobicContact CZ-CB 3.99Å; F93-K98 HydrophobicContact CZ-CD 3.61Å; F93-K98 HydrophobicContact CZ-CG 4.41Å; F93-W99 HydrophobicContact CE1-CZ3 4.1Å; F93-W99 AromaticContact CZ-CH2 3.91Å; F93-W99 HydrophobicContact CZ-CH2 3.91Å; F93-W99 AromaticContact CZ-CZ3 3.71Å; F93-W99 HydrophobicContact CZ-CZ3 3.71Å; F93-I252 HydrophobicContact CD1-CG2 4.02Å; F93-I252 HydrophobicContact CE1-CG2 3.79Å; F93-M253 HydrophobicContact CD2-CB 3.89Å; F93-M253 HydrophobicContact CE1-CB 4.34Å; F93-M253 HydrophobicContact CE2-CB 3.58Å; F93-M253 HydrophobicContact CG-CB 4.39Å; F93-M253 HydrophobicContact CZ-CB 3.84Å; F93-G293 CarbonylContact O-C 3.19Å; F93-G293 WeakPolarHBondContact O-CA 3.38Å; F93-W294 HydrophobicContact CB-CD2 3.66Å; F93-W294 VanDerWaalsContact CB-CE2 3.43Å; F93-W294 HydrophobicContact CB-CE3 3.77Å; F93-W294 HydrophobicContact CB-CG 4.47Å; F93-W294 HydrophobicContact CB-CH2 3.56Å; F93-W294 HydrophobicContact CB-CZ2 3.38Å; F93-W294 HydrophobicContact CB-CZ3 3.71Å; F93-W294 HydrophobicContact CD1-CE3 4.15Å; F93-W294 HydrophobicContact CD1-CH2 4.04Å; F93-W294 AromaticContact CD1-CZ3 3.69Å; F93-W294 HydrophobicContact CD1-CZ3 3.69Å; F93-W294 HydrophobicContact CD2-CH2 4.29Å; F93-W294 HydrophobicContact CG-CE3 4.28Å; F93-W294 AromaticContact CG-CH2 3.71Å; F93-W294 HydrophobicContact CG-CH2 3.71Å; F93-W294 HydrophobicContact CG-CZ2 4.01Å; F93-W294 AromaticContact CG-CZ3 3.81Å; F93-W294 HydrophobicContact CG-CZ3 3.81Å; F93-W294 PolarHBondContact N-O 3.17Å; F93-W294 PolarHBondContact O-N 2.87Å; F93-W294 VanDerWaalsContact O-O 3.12Å
94	D	98.9	Very high	98.2	Very high	23 Å²	23	85 Å²	85	12%	0.123	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	114.5	175.2	-176.1	-21	0	0	0	108.6	R96 K97 K98	D94-R96 PolarHBondContact O-N 2.88Å; D94-R96 VanDerWaalsContact O-N 3.13Å; D94-R96 VanDerWaalsContact OD1-CB 3.22Å; D94-R96 WeakPolarHBondContact OD1-CB 3.24Å; D94-R96 WeakPolarHBondContact OD1-CG 3.35Å; D94-R96 IonicContact OD1-CZ 3.94Å; D94-R96 PolarHBondContact OD1-N 2.8Å; D94-R96 IonicContact OD1-NE 3.86Å; D94-R96 PolarHBondContact OD1-NE 2.89Å; D94-R96 IonicContact OD1-NH2 2.75Å; D94-R96 IonicContact OD2-CZ 3.27Å; D94-R96 IonicContact OD2-NE 3.55Å; D94-R96 PolarHBondContact OD2-NE 2.72Å; D94-R96 VanDerWaalsContact OD2-NE 3.16Å; D94-R96 IonicContact OD2-NH2 2.75Å; D94-R96 PolarHBondContact OD2-NH2 3.31Å; D94-K97 HydrophobicContact CB-CB 4.39Å; D94-K97 HydrophobicContact CB-CD 4.11Å; D94-K97 HydrophobicContact CB-CG 4.05Å; D94-K97 WeakPolarHBondContact O-CB 3.49Å; D94-K97 PolarHBondContact O-N 2.93Å; D94-K98 PolarHBondContact O-N 2.87Å
95	S	98.9	Very high	98.3	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-55.4	-31.5	-179.3	-66.4	0	0	0	0	112.5	F93 K97 K98 W99 I292	F93-S95 WeakPolarHBondContact CE1-OG 3.04Å; S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 2.99Å; S95-K98 PolarHBondContact O-N 3.33Å; S95-W99 PolarHBondContact O-N 3.05Å; S95-I292 WeakPolarHBondContact CB-O 3.49Å; S95-I292 PolarHBondContact N-O 2.93Å; S95-I292 PolarHBondContact OG-O 3.05Å
96	R	98.8	Very high	98.4	Very high	79 Å²	79	76.3 Å²	76.3	30%	0.298	39%	0.388	S	S	.	.	H	α-helix	trans	-65	-33.2	178.8	-57	171.3	-63.8	-176.8	4.4	111.4	D94 P100 I105 A106 I292 Y318	D94-R96 PolarHBondContact O-N 2.88Å; D94-R96 VanDerWaalsContact O-N 3.13Å; D94-R96 VanDerWaalsContact OD1-CB 3.22Å; D94-R96 WeakPolarHBondContact OD1-CB 3.24Å; D94-R96 WeakPolarHBondContact OD1-CG 3.35Å; D94-R96 IonicContact OD1-CZ 3.94Å; D94-R96 PolarHBondContact OD1-N 2.8Å; D94-R96 IonicContact OD1-NE 3.86Å; D94-R96 PolarHBondContact OD1-NE 2.89Å; D94-R96 IonicContact OD1-NH2 2.75Å; D94-R96 IonicContact OD2-CZ 3.27Å; D94-R96 IonicContact OD2-NE 3.55Å; D94-R96 PolarHBondContact OD2-NE 2.72Å; D94-R96 VanDerWaalsContact OD2-NE 3.16Å; D94-R96 IonicContact OD2-NH2 2.75Å; D94-R96 PolarHBondContact OD2-NH2 3.31Å; R96-P100 WeakPolarHBondContact O-CA 3.27Å; R96-I105 HydrophobicContact CB-CG2 4.45Å; R96-I105 HydrophobicContact CG-CB 4.34Å; R96-I105 HydrophobicContact CG-CG2 3.62Å; R96-A106 HydrophobicContact CG-CB 4.19Å; R96-I292 HydrophobicContact CG-CD1 4.11Å; R96-Y318 VanDerWaalsContact NH1-CZ 3.34Å
97	K	98.7	Very high	98.5	Very high	170 Å²	170	72 Å²	72	74%	0.739	37%	0.367	S	S	*	.	H	α-helix	trans	-77.4	-38.9	176.3	-63.9	-176.7	-177.5	178	0	111.7	D94 S95	D94-K97 HydrophobicContact CB-CB 4.39Å; D94-K97 HydrophobicContact CB-CD 4.11Å; D94-K97 HydrophobicContact CB-CG 4.05Å; D94-K97 WeakPolarHBondContact O-CB 3.49Å; D94-K97 PolarHBondContact O-N 2.93Å; S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 2.99Å
98	K	98.6	Very high	98.5	Very high	105 Å²	105	70.1 Å²	70.1	46%	0.457	36%	0.355	S	S	.	.	H	α-helix	trans	-71.3	-38.8	-179.9	-177	166	177.2	171.5	0	112.8	F93 D94 S95 P100 M253	F93-K98 HydrophobicContact CE2-CB 4.17Å; F93-K98 HydrophobicContact CE2-CD 3.54Å; F93-K98 HydrophobicContact CE2-CG 4.47Å; F93-K98 HydrophobicContact CZ-CB 3.99Å; F93-K98 HydrophobicContact CZ-CD 3.61Å; F93-K98 HydrophobicContact CZ-CG 4.41Å; D94-K98 PolarHBondContact O-N 2.87Å; S95-K98 PolarHBondContact O-N 3.33Å; K98-P100 VanDerWaalsContact C-CD 3.43Å; K98-P100 WeakPolarHBondContact O-CD 3.41Å; K98-M253 PolarHBondContact NZ-O 3.23Å
99	W	98.7	Very high	98.5	Very high	39 Å²	39	62.6 Å²	62.6	15%	0.148	32%	0.319	C	S	.	.			trans	-124.5	63.1	-176.3	-58.3	-76.6	0	0	0	112.3	F93 S95 R101 C102 I105 I132 I252 M253	F93-W99 HydrophobicContact CE1-CZ3 4.1Å; F93-W99 AromaticContact CZ-CH2 3.91Å; F93-W99 HydrophobicContact CZ-CH2 3.91Å; F93-W99 AromaticContact CZ-CZ3 3.71Å; F93-W99 HydrophobicContact CZ-CZ3 3.71Å; S95-W99 PolarHBondContact O-N 3.05Å; W99-R101 PolarHBondContact O-N 2.91Å; W99-C102 HydrophobicContact CB-CB 4.28Å; W99-C102 PolarHBondContact O-N 3.3Å; W99-I105 HydrophobicContact CB-CD1 3.67Å; W99-I105 HydrophobicContact CE3-CD1 4.3Å; W99-I132 HydrophobicContact CB-CG1 4.08Å; W99-I132 HydrophobicContact CD2-CD1 3.74Å; W99-I132 HydrophobicContact CD2-CG1 3.73Å; W99-I132 HydrophobicContact CD2-CG2 4.1Å; W99-I132 HydrophobicContact CE3-CD1 3.6Å; W99-I132 HydrophobicContact CE3-CG1 4.12Å; W99-I132 HydrophobicContact CG-CD1 4.21Å; W99-I132 HydrophobicContact CG-CG1 3.72Å; W99-I132 HydrophobicContact CG-CG2 4.43Å; W99-I132 HydrophobicContact CH2-CD1 4.41Å; W99-I132 HydrophobicContact CH2-CG2 4.47Å; W99-I132 HydrophobicContact CZ2-CG2 3.74Å; W99-I132 HydrophobicContact CZ3-CD1 3.96Å; W99-I252 WeakPolarHBondContact CH2-O 3.39Å; W99-M253 WeakPolarHBondContact CH2-O 3.42Å
100	P	98	Very high	98.4	Very high	80 Å²	80	61 Å²	61	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.1	-171.5	29.2	-37.4	0	0	0	114.2	R96 K98 K103	R96-P100 WeakPolarHBondContact O-CA 3.27Å; K98-P100 VanDerWaalsContact C-CD 3.43Å; K98-P100 WeakPolarHBondContact O-CD 3.41Å; P100-K103 PolarHBondContact O-NZ 2.78Å
101	R	97.8	Very high	98.2	Very high	213 Å²	213	58.4 Å²	58.4	80%	0.804	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.2	174.9	-63.9	-172.3	-177.4	174.3	1.3	112.8	W99 K103	W99-R101 PolarHBondContact O-N 2.91Å; R101-K103 PolarHBondContact O-N 2.87Å
102	C	98.5	Very high	98.1	Very high	9 Å²	9	54 Å²	54	6%	0.061	26%	0.263	C	S	.	.			trans	-87.4	91.4	177.5	-64.1	0	0	0	0	109.9	W99 S104 I105 C131	W99-C102 HydrophobicContact CB-CB 4.28Å; W99-C102 PolarHBondContact O-N 3.3Å; C102-S104 VanDerWaalsContact C-N 3.3Å; C102-S104 PolarHBondContact O-N 3.31Å; C102-I105 HydrophobicContact CB-CD1 3.64Å; C102-I105 HydrophobicContact CB-CG1 4Å; C102-I105 WeakPolarHBondContact O-CG1 3.48Å; C102-I105 PolarHBondContact O-N 3.2Å; C102-C131 WeakPolarHBondContact CA-SG 3.37Å; C102-C131 HydrophobicContact CB-CB 3.67Å; C102-C131 WeakPolarHBondContact CB-SG 3.48Å; C102-C131 VanDerWaalsContact SG-C 3.51Å; C102-C131 WeakPolarHBondContact SG-CB 3.26Å; C102-C131 CovalentContact SG-SG 2.03Å; C102-C131 PolarHBondContact SG-SG 3.32Å
103	K	97.8	Very high	97.8	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.626	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-66.6	-29.8	-169.4	-58.7	-53.1	-178	-171.5	0	113.8	P100 R101 I105 A106 T107	P100-K103 PolarHBondContact O-NZ 2.78Å; R101-K103 PolarHBondContact O-N 2.87Å; K103-I105 PolarHBondContact O-N 3.47Å; K103-I105 VanDerWaalsContact O-N 3.13Å; K103-A106 PolarHBondContact O-N 2.83Å; K103-T107 PolarHBondContact O-N 2.89Å; K103-T107 PolarHBondContact O-OG1 2.9Å
104	S	98.5	Very high	97.7	Very high	19 Å²	19	50 Å²	50	13%	0.133	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-55.6	-29.8	178.4	59.6	0	0	0	0	113.2	C102 A106 T107 D128	C102-S104 VanDerWaalsContact C-N 3.3Å; C102-S104 PolarHBondContact O-N 3.31Å; S104-A106 PolarHBondContact O-N 2.96Å; S104-T107 WeakPolarHBondContact O-CB 3.32Å; S104-T107 PolarHBondContact O-N 3.4Å; S104-D128 WeakPolarHBondContact CB-OD1 3.31Å; S104-D128 WeakPolarHBondContact OG-CA 3.34Å; S104-D128 PolarHBondContact OG-OD1 2.65Å
105	I	98.7	Very high	97.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.3	-38.9	-176.9	-54.8	172.6	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 4.34Å; R96-I105 HydrophobicContact CG-CG2 3.62Å; W99-I105 HydrophobicContact CB-CD1 3.67Å; W99-I105 HydrophobicContact CE3-CD1 4.3Å; C102-I105 HydrophobicContact CB-CD1 3.64Å; C102-I105 HydrophobicContact CB-CG1 4Å; C102-I105 WeakPolarHBondContact O-CG1 3.48Å; C102-I105 PolarHBondContact O-N 3.2Å; K103-I105 PolarHBondContact O-N 3.47Å; K103-I105 VanDerWaalsContact O-N 3.13Å; I105-D128 VanDerWaalsContact CA-OD1 3.26Å; I105-D128 WeakPolarHBondContact CA-OD1 3.36Å; I105-D128 HydrophobicContact CG1-CB 4Å; I105-D128 PolarHBondContact N-OD1 3.23Å; 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 3.25Å
106	A	98.5	Very high	97.6	Very high	56 Å²	56	49 Å²	49	46%	0.463	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-88.7	-7.8	-179.6	0	0	0	0	0	113.5	R96 K103 S104 Y318	R96-A106 HydrophobicContact CG-CB 4.19Å; K103-A106 PolarHBondContact O-N 2.83Å; S104-A106 PolarHBondContact O-N 2.96Å; A106-Y318 WeakPolarHBondContact CA-OH 2.99Å; A106-Y318 PolarHBondContact O-OH 2.83Å
107	T	98.4	Very high	97.5	Very high	58 Å²	58	45.2 Å²	45.2	36%	0.356	22%	0.217	S	C	.	.			trans	-77	127.2	-179.1	-58.1	0	0	0	0	110.4	K103 S104 R109 R290	K103-T107 PolarHBondContact O-N 2.89Å; K103-T107 PolarHBondContact O-OG1 2.9Å; S104-T107 WeakPolarHBondContact O-CB 3.32Å; S104-T107 PolarHBondContact O-N 3.4Å; T107-R109 HydrophobicContact CG2-CG 4.48Å; T107-R290 PolarHBondContact O-NH2 3.16Å; T107-R290 VanDerWaalsContact O-NH2 3.11Å
108	I	98.1	Very high	97.5	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.072	18%	0.182	C	C	.	.			trans	-102.5	127.5	171.1	-60.5	-64	0	0	0	109	A306 N310 Y318	I108-A306 HydrophobicContact CD1-CB 3.69Å; I108-N310 VanDerWaalsContact CG2-C 3.45Å; I108-Y318 HydrophobicContact CD1-CD1 4.24Å; I108-Y318 HydrophobicContact CD1-CD2 4.05Å; I108-Y318 HydrophobicContact CD1-CE1 3.85Å; I108-Y318 HydrophobicContact CD1-CE2 3.62Å; I108-Y318 HydrophobicContact CD1-CG 4.33Å; I108-Y318 HydrophobicContact CG1-CD2 4.33Å; I108-Y318 HydrophobicContact CG1-CE2 3.7Å
109	R	97.7	Very high	97.6	Very high	19 Å²	19	32.1 Å²	32.1	7%	0.072	16%	0.16	C	C	.	.			trans	-101	174.4	179.2	-53.1	-167.1	-173.5	-170.9	12.3	111.2	T107 F120 E124 S127 E141 L142 S308 W309 N310	T107-R109 HydrophobicContact CG2-CG 4.48Å; R109-F120 HydrophobicContact CB-CD1 3.78Å; R109-F120 HydrophobicContact CB-CE1 3.73Å; R109-E124 WeakPolarHBondContact CB-OE1 3.01Å; R109-E124 HydrophobicContact CG-CG 4.14Å; R109-S127 PolarHBondContact NH2-OG 3.26Å; R109-E141 VanDerWaalsContact CZ-CG 3.47Å; R109-E141 IonicContact CZ-OE1 2.98Å; R109-E141 IonicContact NE-OE1 2.86Å; R109-E141 PolarHBondContact NE-OE1 2.87Å; R109-E141 IonicContact NH1-OE1 3.54Å; R109-L142 PolarHBondContact NH1-O 2.76Å; R109-S308 CarbonylContact O-C 3.38Å; R109-S308 WeakPolarHBondContact O-CA 3.46Å; R109-W309 PolarHBondContact O-N 2.04Å; R109-N310 WeakPolarHBondContact O-CA 3.5Å; R109-N310 PolarHBondContact O-N 3.3Å
110	D	96.5	Very high	97.6	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-132.5	118.6	176	-164	-20.8	0	0	0	109.4	R52 S112 K194 C195 S308 N310	R52-D110 IonicContact CZ-OD1 3.56Å; R52-D110 IonicContact NH1-OD1 3.54Å; R52-D110 IonicContact NH1-OD2 2.83Å; R52-D110 IonicContact NH2-OD1 3.46Å; R52-D110 PolarHBondContact NH2-OD1 2.66Å; D110-S112 PolarHBondContact O-N 2.8Å; D110-S112 WeakPolarHBondContact OD1-CA 3.4Å; D110-S112 PolarHBondContact OD1-N 3.36Å; D110-K194 HydrophobicContact CB-CB 4.34Å; D110-K194 HydrophobicContact CB-CG 3.61Å; D110-C195 PolarHBondContact OD2-N 3.29Å; D110-S308 CarbonylContact C-O 3.4Å; D110-S308 VanDerWaalsContact CA-O 3.29Å; D110-S308 WeakPolarHBondContact CA-O 3.21Å; D110-N310 HydrophobicContact CB-CB 3.99Å; D110-N310 WeakPolarHBondContact OD2-CB 3.43Å; D110-N310 PolarHBondContact OD2-ND2 2.71Å
111	Q	96.3	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.			trans	-75.9	-8.3	175.9	71.1	-177.3	83.2	0	0	113.3	Q62 C114 C117 F120 Y190 H287 S308	Q62-Q111 VanDerWaalsContact C-NE2 3.29Å; Q62-Q111 VanDerWaalsContact O-CD 3.27Å; Q62-Q111 PolarHBondContact O-NE2 2.89Å; Q62-Q111 PolarHBondContact O-OE1 2.87Å; Q111-C114 PolarHBondContact NE2-O 3.09Å; Q111-C117 VanDerWaalsContact OE1-CB 3.26Å; Q111-F120 VanDerWaalsContact CA-CZ 3.45Å; Q111-F120 HydrophobicContact CB-CD1 4.39Å; Q111-F120 HydrophobicContact CB-CD2 3.71Å; Q111-F120 HydrophobicContact CB-CE1 4.28Å; Q111-F120 HydrophobicContact CB-CE2 3.6Å; Q111-F120 HydrophobicContact CB-CG 4.12Å; Q111-F120 HydrophobicContact CB-CZ 3.92Å; Q111-Y190 WeakPolarHBondContact O-CE1 3.43Å; Q111-Y190 PolarHBondContact O-OH 3.09Å; Q111-H287 PolarHBondContact OE1-CE1 3.02Å; Q111-S308 PolarHBondContact N-O 3.15Å; Q111-S308 PolarHBondContact OE1-OG 2.9Å
112	S	94.4	Very high	97.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	9%	0.092	C	C	.	.			trans	58.4	-154.5	-175.7	-160.2	0	0	0	0	111.4	D110 C114 P193 Y211	D110-S112 PolarHBondContact O-N 2.8Å; D110-S112 WeakPolarHBondContact OD1-CA 3.4Å; D110-S112 PolarHBondContact OD1-N 3.36Å; S112-C114 PolarHBondContact O-N 2.82Å; S112-P193 VanDerWaalsContact CB-O 3.25Å; S112-P193 WeakPolarHBondContact CB-O 3.16Å; S112-P193 PolarHBondContact OG-O 3.28Å; S112-Y211 WeakPolarHBondContact OG-CE2 3.38Å
113	R	94	Very high	97.7	Very high	12 Å²	12	16.1 Å²	16.1	5%	0.045	9%	0.089	C	C	.	.	S	Bend	trans	-83	51	177.4	-62.5	179.6	64.8	86.2	-5.6	112.9	D58 I61 C206 G207 K209 Y211	D58-R113 IonicContact OD1-CZ 3.6Å; D58-R113 VanDerWaalsContact OD1-CZ 3.31Å; D58-R113 IonicContact OD1-NH1 2.75Å; D58-R113 PolarHBondContact OD1-NH1 3.05Å; D58-R113 IonicContact OD1-NH2 3.48Å; D58-R113 PolarHBondContact OD1-NH2 3.11Å; I61-R113 HydrophobicContact CD1-CB 4.1Å; I61-R113 HydrophobicContact CD1-CG 4.42Å; I61-R113 VanDerWaalsContact CD1-CZ 3.42Å; I61-R113 VanDerWaalsContact CD1-NH2 3.27Å; R113-C206 HydrophobicContact CG-CB 4.21Å; R113-G207 WeakPolarHBondContact CD-O 3.03Å; R113-G207 PolarHBondContact NE-O 2.96Å; R113-K209 WeakPolarHBondContact CB-O 3.03Å; R113-K209 VanDerWaalsContact CD-O 3.27Å; R113-K209 WeakPolarHBondContact CD-O 3.39Å; R113-K209 PolarHBondContact NE-O 2.88Å; R113-Y211 HydrophobicContact CB-CD2 3.87Å; R113-Y211 HydrophobicContact CB-CE2 4.08Å; R113-Y211 WeakPolarHBondContact O-CD2 3.36Å; R113-Y211 PolarHBondContact O-N 3.08Å
114	C	95.5	Very high	97.7	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.014	6%	0.06	C	C	.	.	S	Bend	trans	-137.3	130.9	178	167.1	0	0	0	0	108.6	I61 Q111 S112 S116 C158 F192	I61-C114 CarbonylContact O-C 3.55Å; Q111-C114 PolarHBondContact NE2-O 3.09Å; S112-C114 PolarHBondContact O-N 2.82Å; C114-S116 PolarHBondContact O-N 3.33Å; C114-S116 WeakPolarHBondContact SG-CB 3.41Å; C114-S116 PolarHBondContact SG-OG 3.41Å; C114-C158 HydrophobicContact CB-CB 3.93Å; C114-C158 WeakPolarHBondContact CB-SG 3.47Å; C114-C158 WeakPolarHBondContact SG-CA 3.42Å; C114-C158 WeakPolarHBondContact SG-CB 3.41Å; C114-C158 CovalentContact SG-SG 2.04Å; C114-C158 PolarHBondContact SG-SG 3.18Å; C114-F192 HydrophobicContact CB-CD2 3.8Å; C114-F192 HydrophobicContact CB-CE2 3.78Å
115	G	97	Very high	97.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-77.8	54.1	-179.4	0	0	0	0	0	112.7	I61 M63 G64 C158 G160	I61-G115 WeakPolarHBondContact O-CA 3.29Å; I61-G115 PolarHBondContact O-N 3.37Å; M63-G115 WeakPolarHBondContact O-CA 3.43Å; G64-G115 WeakPolarHBondContact CA-O 3.13Å; G115-C158 WeakPolarHBondContact CA-O 3.32Å; G115-C158 PolarHBondContact N-O 3.31Å; G115-G160 WeakPolarHBondContact O-CA 3.33Å; G115-G160 PolarHBondContact O-N 3.18Å
116	S	98.2	Very high	97.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.			trans	-106.4	17	-174.1	55	0	0	0	0	113.3	C114 W118 A119 F120 Y190	C114-S116 PolarHBondContact O-N 3.33Å; C114-S116 WeakPolarHBondContact SG-CB 3.41Å; C114-S116 PolarHBondContact SG-OG 3.41Å; S116-W118 PolarHBondContact O-N 2.8Å; S116-W118 VanDerWaalsContact O-N 3.09Å; S116-A119 WeakPolarHBondContact O-CA 3.32Å; S116-A119 WeakPolarHBondContact O-CB 3.31Å; S116-A119 PolarHBondContact O-N 2.82Å; S116-F120 WeakPolarHBondContact O-CD2 3.35Å; S116-F120 PolarHBondContact O-N 3.25Å; S116-F120 VanDerWaalsContact O-N 3.11Å; S116-F120 WeakPolarHBondContact OG-CE2 3.46Å; S116-Y190 PolarHBondContact OG-OH 2.77Å
117	C	98.4	Very high	97.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-50.5	-37.5	179.9	63.6	0	0	0	0	113.2	G64 A65 Q111 A119 F120 G121 H287 A288	G64-C117 VanDerWaalsContact CA-SG 3.59Å; G64-C117 PolarHBondContact N-SG 2.89Å; A65-C117 PolarHBondContact N-SG 3.11Å; A65-C117 VanDerWaalsContact N-SG 3.44Å; Q111-C117 VanDerWaalsContact OE1-CB 3.26Å; C117-A119 PolarHBondContact O-N 3.44Å; C117-F120 PolarHBondContact O-N 3.06Å; C117-G121 PolarHBondContact O-N 2.98Å; C117-H287 WeakPolarHBondContact CB-CE1 3.24Å; C117-H287 WeakPolarHBondContact CB-ND1 3.34Å; C117-H287 PolarHBondContact SG-ND1 2.83Å; C117-H287 VanDerWaalsContact SG-ND1 3.41Å; C117-A288 HydrophobicContact CB-CB 4.34Å; C117-A288 PolarHBondContact SG-N 2.98Å; C117-A288 VanDerWaalsContact SG-N 3.4Å
118	W	98.7	Very high	97.8	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.7	-26.2	176.2	70.8	-89.9	0	0	0	113.5	S116 L147 L148 C154 G157 A166 A288	S116-W118 PolarHBondContact O-N 2.8Å; S116-W118 VanDerWaalsContact O-N 3.09Å; W118-L147 HydrophobicContact CH2-CG 4.28Å; W118-L147 HydrophobicContact CZ3-CD1 4.24Å; W118-L147 HydrophobicContact CZ3-CD2 4.29Å; W118-L147 HydrophobicContact CZ3-CG 3.98Å; W118-L148 HydrophobicContact CH2-CB 4.41Å; W118-L148 HydrophobicContact CZ2-CB 4.01Å; W118-C154 HydrophobicContact CE3-CB 4.03Å; W118-C154 HydrophobicContact CH2-CB 3.31Å; W118-C154 HydrophobicContact CZ2-CB 4.21Å; W118-C154 HydrophobicContact CZ3-CB 3.22Å; W118-G157 PolarHBondContact NE1-O 2.78Å; W118-A166 HydrophobicContact CE3-CB 3.98Å; W118-A166 HydrophobicContact CZ3-CB 3.93Å; W118-A288 HydrophobicContact CB-CB 4.48Å
119	A	98.8	Very high	97.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-88.8	-33	173.9	0	0	0	0	0	110.9	S116 C117 V123 L147 L148	S116-A119 WeakPolarHBondContact O-CA 3.32Å; S116-A119 WeakPolarHBondContact O-CB 3.31Å; S116-A119 PolarHBondContact O-N 2.82Å; C117-A119 PolarHBondContact O-N 3.44Å; A119-V123 WeakPolarHBondContact O-CG1 3.44Å; A119-V123 WeakPolarHBondContact O-CG2 3.39Å; A119-V123 PolarHBondContact O-N 3.33Å; A119-L147 HydrophobicContact CB-CB 4.49Å; A119-L147 HydrophobicContact CB-CD2 3.82Å; A119-L147 HydrophobicContact CB-CG 4.08Å; A119-L148 HydrophobicContact CB-CB 3.81Å
120	F	98.8	Very high	97.9	Very high	5 Å²	5	1.6 Å²	1.6	2%	0.022	1%	0.008	C	C	.	.	H	α-helix	trans	-68.1	-52.8	178.9	-87.4	-103.3	0	0	0	112.4	R109 Q111 S116 C117 A122 V123 E124 A144 Y190	R109-F120 HydrophobicContact CB-CD1 3.78Å; R109-F120 HydrophobicContact CB-CE1 3.73Å; Q111-F120 VanDerWaalsContact CA-CZ 3.45Å; Q111-F120 HydrophobicContact CB-CD1 4.39Å; Q111-F120 HydrophobicContact CB-CD2 3.71Å; Q111-F120 HydrophobicContact CB-CE1 4.28Å; Q111-F120 HydrophobicContact CB-CE2 3.6Å; Q111-F120 HydrophobicContact CB-CG 4.12Å; Q111-F120 HydrophobicContact CB-CZ 3.92Å; S116-F120 WeakPolarHBondContact O-CD2 3.35Å; S116-F120 PolarHBondContact O-N 3.25Å; S116-F120 VanDerWaalsContact O-N 3.11Å; S116-F120 WeakPolarHBondContact OG-CE2 3.46Å; C117-F120 PolarHBondContact O-N 3.06Å; F120-A122 PolarHBondContact O-N 3.26Å; F120-V123 PolarHBondContact O-N 2.83Å; F120-E124 VanDerWaalsContact O-CB 3.31Å; F120-E124 WeakPolarHBondContact O-CB 3.41Å; F120-E124 WeakPolarHBondContact O-CG 3.37Å; F120-E124 PolarHBondContact O-N 2.61Å; F120-A144 HydrophobicContact CD2-CB 3.96Å; F120-A144 HydrophobicContact CE1-CB 4.38Å; F120-A144 HydrophobicContact CE2-CB 3.66Å; F120-A144 HydrophobicContact CG-CB 4.44Å; F120-A144 HydrophobicContact CZ-CB 3.88Å; F120-Y190 HydrophobicContact CE2-CD2 4.2Å; F120-Y190 HydrophobicContact CE2-CE1 4.15Å; F120-Y190 AromaticContact CE2-CE2 3.52Å; F120-Y190 HydrophobicContact CE2-CE2 3.52Å; F120-Y190 AromaticContact CE2-CZ 3.48Å; F120-Y190 VanDerWaalsContact CE2-CZ 3.48Å; F120-Y190 WeakPolarHBondContact CE2-OH 3.37Å; F120-Y190 HydrophobicContact CZ-CD1 4.04Å; F120-Y190 AromaticContact CZ-CD2 3.93Å; F120-Y190 HydrophobicContact CZ-CD2 3.93Å; F120-Y190 AromaticContact CZ-CE1 3.72Å; F120-Y190 HydrophobicContact CZ-CE1 3.72Å; F120-Y190 AromaticContact CZ-CE2 3.64Å; F120-Y190 HydrophobicContact CZ-CE2 3.64Å; F120-Y190 HydrophobicContact CZ-CG 4.14Å; F120-Y190 AromaticContact CZ-CZ 3.52Å
121	G	98.7	Very high	98	Very high	1 Å²	1	1.3 Å²	1.3	1%	0.01	1%	0.006	C	C	.	.	H	α-helix	trans	-53.5	-45.1	177	0	0	0	0	0	111.6	C117 A125 E259	C117-G121 PolarHBondContact O-N 2.98Å; G121-A125 WeakPolarHBondContact O-CB 3.48Å; G121-A125 PolarHBondContact O-N 2.91Å; G121-A125 VanDerWaalsContact O-N 3.12Å; G121-E259 WeakPolarHBondContact CA-OE1 3.45Å
122	A	98.9	Very high	98.1	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-57.5	-64.1	174.4	0	0	0	0	0	112.7	F120 E124 A125 M126 L147 A166 E259	F120-A122 PolarHBondContact O-N 3.26Å; A122-E124 VanDerWaalsContact C-N 3.26Å; A122-E124 PolarHBondContact O-N 3.2Å; A122-A125 PolarHBondContact O-N 2.98Å; A122-M126 HydrophobicContact CB-CE 3.86Å; A122-M126 HydrophobicContact CB-SD 4.37Å; A122-M126 WeakPolarHBondContact O-CB 3.31Å; A122-M126 WeakPolarHBondContact O-CG 3.41Å; A122-M126 PolarHBondContact O-N 2.84Å; A122-L147 HydrophobicContact CB-CD2 3.9Å; A122-A166 HydrophobicContact CB-CB 3.96Å; A122-E259 PolarHBondContact N-OE1 3.41Å
123	V	98.9	Very high	98.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-66.7	-28.2	-173.3	-61.1	0	0	0	0	113.1	A119 F120 S127 L142 A144 L147 I175	A119-V123 WeakPolarHBondContact O-CG1 3.44Å; A119-V123 WeakPolarHBondContact O-CG2 3.39Å; A119-V123 PolarHBondContact O-N 3.33Å; F120-V123 PolarHBondContact O-N 2.83Å; V123-S127 VanDerWaalsContact O-CB 3.26Å; V123-S127 WeakPolarHBondContact O-CB 3.22Å; V123-S127 PolarHBondContact O-N 2.95Å; V123-S127 PolarHBondContact O-OG 3.36Å; V123-L142 HydrophobicContact CB-CB 4.01Å; V123-L142 HydrophobicContact CG1-CB 4.36Å; V123-A144 HydrophobicContact CG2-CB 3.87Å; V123-L147 HydrophobicContact CG1-CB 4.14Å; V123-L147 HydrophobicContact CG1-CD2 3.72Å; V123-I175 HydrophobicContact CG1-CD1 4.03Å; V123-I175 HydrophobicContact CG1-CG2 4.33Å
124	E	98.9	Very high	98.5	Very high	5 Å²	5	3.8 Å²	3.8	2%	0.023	2%	0.021	C	C	.	.	H	α-helix	trans	-65.9	-50.9	173.2	-69.6	175.5	-170.9	0	0	111	R109 F120 A122 M126 S127 D128 R290	R109-E124 WeakPolarHBondContact CB-OE1 3.01Å; R109-E124 HydrophobicContact CG-CG 4.14Å; F120-E124 VanDerWaalsContact O-CB 3.31Å; F120-E124 WeakPolarHBondContact O-CB 3.41Å; F120-E124 WeakPolarHBondContact O-CG 3.37Å; F120-E124 PolarHBondContact O-N 2.61Å; A122-E124 VanDerWaalsContact C-N 3.26Å; A122-E124 PolarHBondContact O-N 3.2Å; E124-M126 VanDerWaalsContact C-N 3.35Å; E124-M126 PolarHBondContact O-N 2.85Å; E124-S127 WeakPolarHBondContact O-CB 3.41Å; E124-S127 PolarHBondContact O-N 3.23Å; E124-D128 VanDerWaalsContact O-CG 3.26Å; E124-D128 PolarHBondContact O-N 3.49Å; E124-R290 VanDerWaalsContact CB-NE 3.27Å; E124-R290 IonicContact OE2-CZ 2.71Å; E124-R290 IonicContact OE2-NE 2.93Å; E124-R290 PolarHBondContact OE2-NE 3.3Å; E124-R290 IonicContact OE2-NH2 3.55Å; E124-R290 PolarHBondContact OE2-NH2 2.94Å
125	A	98.9	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.7	-36.8	179.6	0	0	0	0	0	111.8	G121 A122 D128 R129 W167 R290	G121-A125 WeakPolarHBondContact O-CB 3.48Å; G121-A125 PolarHBondContact O-N 2.91Å; G121-A125 VanDerWaalsContact O-N 3.12Å; A122-A125 PolarHBondContact O-N 2.98Å; A125-D128 PolarHBondContact O-N 3.43Å; A125-R129 VanDerWaalsContact O-CB 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.23Å; A125-R129 WeakPolarHBondContact O-CG 3.34Å; A125-R129 PolarHBondContact O-N 3.19Å; A125-W167 HydrophobicContact CB-CH2 3.75Å; A125-W167 HydrophobicContact CB-CZ2 3.76Å; A125-R290 HydrophobicContact CB-CG 4.23Å
126	M	98.9	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-38.6	173.9	-67.1	164.2	-175.5	0	0	112.1	A122 E124 R129 S130 L142 W167 W170 I175	A122-M126 HydrophobicContact CB-CE 3.86Å; A122-M126 HydrophobicContact CB-SD 4.37Å; A122-M126 WeakPolarHBondContact O-CB 3.31Å; A122-M126 WeakPolarHBondContact O-CG 3.41Å; A122-M126 PolarHBondContact O-N 2.84Å; E124-M126 VanDerWaalsContact C-N 3.35Å; E124-M126 PolarHBondContact O-N 2.85Å; M126-R129 PolarHBondContact O-N 3.45Å; M126-S130 WeakPolarHBondContact O-CB 3.35Å; M126-S130 PolarHBondContact O-N 3.19Å; M126-S130 PolarHBondContact O-OG 3.12Å; M126-L142 HydrophobicContact CB-CD1 3.54Å; M126-W167 HydrophobicContact CE-CB 4.12Å; M126-W167 HydrophobicContact CE-CD2 3.48Å; M126-W167 VanDerWaalsContact CE-CD2 3.48Å; M126-W167 HydrophobicContact CE-CE3 3.72Å; M126-W167 HydrophobicContact CE-CG 3.64Å; M126-W167 HydrophobicContact CE-CZ3 4.35Å; M126-W167 HydrophobicContact CG-CE3 4.04Å; M126-W167 HydrophobicContact CG-CH2 3.98Å; M126-W167 HydrophobicContact CG-CZ2 4.43Å; M126-W167 HydrophobicContact CG-CZ3 3.76Å; M126-W170 HydrophobicContact CB-CD2 4.39Å; M126-W170 HydrophobicContact CB-CZ2 4.29Å; M126-W170 HydrophobicContact CE-CB 3.56Å; M126-W170 HydrophobicContact CE-CD2 4.15Å; M126-W170 HydrophobicContact CE-CE3 4.15Å; M126-W170 HydrophobicContact CE-CG 3.94Å; M126-W170 HydrophobicContact CG-CD2 3.79Å; M126-W170 HydrophobicContact CG-CE3 3.9Å; M126-W170 HydrophobicContact CG-CG 4.2Å; M126-W170 HydrophobicContact CG-CH2 4.49Å; M126-W170 HydrophobicContact CG-CZ2 4.4Å; M126-W170 HydrophobicContact CG-CZ3 4.25Å; M126-W170 HydrophobicContact SD-CB 3.72Å; M126-W170 HydrophobicContact SD-CD2 3.81Å; M126-W170 HydrophobicContact SD-CE3 4.28Å; M126-W170 HydrophobicContact SD-CG 3.56Å; M126-W170 VanDerWaalsContact SD-CG 3.56Å; M126-I175 HydrophobicContact SD-CD1 3.67Å
127	S	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-46.8	174.1	-60.9	0	0	0	0	110.7	R109 V123 E124 R129 S130 C131 V140 L142	R109-S127 PolarHBondContact NH2-OG 3.26Å; V123-S127 VanDerWaalsContact O-CB 3.26Å; V123-S127 WeakPolarHBondContact O-CB 3.22Å; V123-S127 PolarHBondContact O-N 2.95Å; V123-S127 PolarHBondContact O-OG 3.36Å; E124-S127 WeakPolarHBondContact O-CB 3.41Å; E124-S127 PolarHBondContact O-N 3.23Å; S127-R129 PolarHBondContact O-N 3.48Å; S127-S130 PolarHBondContact O-N 2.89Å; S127-C131 PolarHBondContact O-N 2.7Å; S127-V140 VanDerWaalsContact CB-O 3.31Å; S127-V140 WeakPolarHBondContact CB-O 3.38Å; S127-L142 PolarHBondContact OG-N 3.08Å
128	D	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-50	176.9	-65.9	-15.3	0	0	0	111.6	S104 I105 E124 A125 S130 C131 I132 P257 R290	S104-D128 WeakPolarHBondContact CB-OD1 3.31Å; S104-D128 WeakPolarHBondContact OG-CA 3.34Å; S104-D128 PolarHBondContact OG-OD1 2.65Å; I105-D128 VanDerWaalsContact CA-OD1 3.26Å; I105-D128 WeakPolarHBondContact CA-OD1 3.36Å; I105-D128 HydrophobicContact CG1-CB 4Å; I105-D128 PolarHBondContact N-OD1 3.23Å; E124-D128 VanDerWaalsContact O-CG 3.26Å; E124-D128 PolarHBondContact O-N 3.49Å; A125-D128 PolarHBondContact O-N 3.43Å; D128-S130 VanDerWaalsContact C-N 3.33Å; D128-S130 PolarHBondContact O-N 2.77Å; D128-C131 PolarHBondContact O-N 2.9Å; D128-C131 VanDerWaalsContact O-N 3.15Å; D128-I132 HydrophobicContact CB-CD1 4.39Å; D128-I132 VanDerWaalsContact O-CG1 3.27Å; D128-I132 WeakPolarHBondContact O-CG1 3.45Å; D128-I132 PolarHBondContact O-N 3.2Å; D128-P257 HydrophobicContact CB-CG 4.16Å; D128-P257 WeakPolarHBondContact OD2-CG 3.22Å; D128-R290 IonicContact OD1-NH1 3.48Å; D128-R290 WeakPolarHBondContact OD2-CD 3.32Å; D128-R290 IonicContact OD2-CZ 2.59Å; D128-R290 IonicContact OD2-NE 2.71Å; D128-R290 IonicContact OD2-NH1 3.93Å; D128-R290 PolarHBondContact OD2-NH1 2.72Å
129	R	98.9	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-35.4	-178.6	-74.4	177.8	171	-104.5	-13.1	112.5	A125 M126 S127 C131 I132 Q133 Y239 E251 G256 P257 V258 G337	A125-R129 VanDerWaalsContact O-CB 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.23Å; A125-R129 WeakPolarHBondContact O-CG 3.34Å; A125-R129 PolarHBondContact O-N 3.19Å; M126-R129 PolarHBondContact O-N 3.45Å; S127-R129 PolarHBondContact O-N 3.48Å; R129-C131 VanDerWaalsContact C-N 3.27Å; R129-C131 PolarHBondContact O-N 3.41Å; R129-I132 PolarHBondContact O-N 3.29Å; R129-Q133 WeakPolarHBondContact O-CB 3.25Å; R129-Q133 VanDerWaalsContact O-CG 3.31Å; R129-Q133 WeakPolarHBondContact O-CG 3.31Å; R129-Q133 PolarHBondContact O-N 3.11Å; R129-Y239 PolarHBondContact NH1-OH 3.25Å; R129-E251 IonicContact CZ-OE1 2.67Å; R129-E251 IonicContact NH1-OE1 3.16Å; R129-E251 PolarHBondContact NH1-OE1 2.78Å; R129-E251 IonicContact NH2-OE1 3.87Å; R129-E251 PolarHBondContact NH2-OE1 2.56Å; R129-G256 PolarHBondContact NH2-O 2.84Å; R129-P257 PolarHBondContact NE-O 3.27Å; R129-P257 PolarHBondContact NH2-O 3.05Å; R129-V258 VanDerWaalsContact NH2-CG1 3.33Å; R129-G337 WeakPolarHBondContact CD-O 3.38Å; R129-G337 PolarHBondContact NH1-O 3.22Å
130	S	98.8	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-43.2	173.2	-60.8	0	0	0	0	110.6	M126 S127 D128 S134	M126-S130 WeakPolarHBondContact O-CB 3.35Å; M126-S130 PolarHBondContact O-N 3.19Å; M126-S130 PolarHBondContact O-OG 3.12Å; S127-S130 PolarHBondContact O-N 2.89Å; D128-S130 VanDerWaalsContact C-N 3.33Å; D128-S130 PolarHBondContact O-N 2.77Å; S130-S134 WeakPolarHBondContact O-CB 3.45Å; S130-S134 PolarHBondContact O-N 3.15Å; S130-S134 PolarHBondContact O-OG 3.33Å
131	C	98.8	Very high	98.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-70.9	-50.5	174.4	179.7	0	0	0	0	114	C102 S127 D128 R129 Q133 S134 G135 G136 Q138 N139	C102-C131 WeakPolarHBondContact CA-SG 3.37Å; C102-C131 HydrophobicContact CB-CB 3.67Å; C102-C131 WeakPolarHBondContact CB-SG 3.48Å; C102-C131 VanDerWaalsContact SG-C 3.51Å; C102-C131 WeakPolarHBondContact SG-CB 3.26Å; C102-C131 CovalentContact SG-SG 2.03Å; C102-C131 PolarHBondContact SG-SG 3.32Å; S127-C131 PolarHBondContact O-N 2.7Å; D128-C131 PolarHBondContact O-N 2.9Å; D128-C131 VanDerWaalsContact O-N 3.15Å; R129-C131 VanDerWaalsContact C-N 3.27Å; R129-C131 PolarHBondContact O-N 3.41Å; C131-Q133 PolarHBondContact O-N 3.45Å; C131-S134 PolarHBondContact O-OG 3.47Å; C131-G135 PolarHBondContact O-N 2.84Å; C131-G136 PolarHBondContact O-N 3.37Å; C131-Q138 WeakPolarHBondContact CA-O 3.15Å; C131-Q138 VanDerWaalsContact CB-O 3.25Å; C131-Q138 WeakPolarHBondContact CB-O 3.39Å; C131-Q138 PolarHBondContact N-O 3.25Å; C131-N139 PolarHBondContact SG-OD1 3.49Å
132	I	98.8	Very high	98.3	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.097	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-52	-175.6	-69.9	166.8	0	0	0	110.8	W99 I105 D128 R129 S134 G135	W99-I132 HydrophobicContact CB-CG1 4.08Å; W99-I132 HydrophobicContact CD2-CD1 3.74Å; W99-I132 HydrophobicContact CD2-CG1 3.73Å; W99-I132 HydrophobicContact CD2-CG2 4.1Å; W99-I132 HydrophobicContact CE3-CD1 3.6Å; W99-I132 HydrophobicContact CE3-CG1 4.12Å; W99-I132 HydrophobicContact CG-CD1 4.21Å; W99-I132 HydrophobicContact CG-CG1 3.72Å; W99-I132 HydrophobicContact CG-CG2 4.43Å; W99-I132 HydrophobicContact CH2-CD1 4.41Å; W99-I132 HydrophobicContact CH2-CG2 4.47Å; W99-I132 HydrophobicContact CZ2-CG2 3.74Å; W99-I132 HydrophobicContact CZ3-CD1 3.96Å; I105-I132 HydrophobicContact CD1-CD1 3.91Å; I105-I132 HydrophobicContact CD1-CG1 4.24Å; D128-I132 HydrophobicContact CB-CD1 4.39Å; D128-I132 VanDerWaalsContact O-CG1 3.27Å; D128-I132 WeakPolarHBondContact O-CG1 3.45Å; D128-I132 PolarHBondContact O-N 3.2Å; R129-I132 PolarHBondContact O-N 3.29Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.62Å; I132-G135 PolarHBondContact O-N 3.4Å
133	Q	98.6	Very high	98.3	Very high	25 Å²	25	28.8 Å²	28.8	12%	0.117	17%	0.166	C	C	.	.	H	α-helix	trans	-81.3	-16.3	-169	-59	174.2	14	0	0	112.6	R129 C131 G135 Y255 I339 N340	R129-Q133 WeakPolarHBondContact O-CB 3.25Å; R129-Q133 VanDerWaalsContact O-CG 3.31Å; R129-Q133 WeakPolarHBondContact O-CG 3.31Å; R129-Q133 PolarHBondContact O-N 3.11Å; C131-Q133 PolarHBondContact O-N 3.45Å; Q133-G135 VanDerWaalsContact C-N 3.35Å; Q133-Y255 PolarHBondContact NE2-O 3.25Å; Q133-Y255 VanDerWaalsContact NE2-O 3.13Å; Q133-I339 HydrophobicContact CB-CD1 3.73Å; Q133-I339 HydrophobicContact CB-CG1 3.68Å; Q133-N340 PolarHBondContact O-ND2 3.34Å
134	S	98.5	Very high	98.3	Very high	20 Å²	20	28.9 Å²	28.9	14%	0.14	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.4	171.6	71.7	0	0	0	0	113.1	S130 C131 I132 G136 K137 Q138	S130-S134 WeakPolarHBondContact O-CB 3.45Å; S130-S134 PolarHBondContact O-N 3.15Å; S130-S134 PolarHBondContact O-OG 3.33Å; C131-S134 PolarHBondContact O-OG 3.47Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.62Å; S134-G136 VanDerWaalsContact C-N 3.29Å; S134-G136 PolarHBondContact O-N 3.44Å; S134-K137 WeakPolarHBondContact O-CB 3.35Å; S134-K137 VanDerWaalsContact O-CG 3.3Å; S134-K137 WeakPolarHBondContact O-CG 3.44Å; S134-K137 PolarHBondContact O-N 3.42Å; S134-K137 PolarHBondContact OG-N 2.89Å; S134-Q138 PolarHBondContact OG-N 2.93Å
135	G	97.7	Very high	98.3	Very high	72 Å²	72	29.1 Å²	29.1	74%	0.742	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	31.3	-174.4	0	0	0	0	0	113	C131 I132 Q133	C131-G135 PolarHBondContact O-N 2.84Å; I132-G135 PolarHBondContact O-N 3.4Å; Q133-G135 VanDerWaalsContact C-N 3.35Å
136	G	96.6	Very high	98.3	Very high	29 Å²	29	29.1 Å²	29.1	30%	0.299	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	2.9	-178.4	0	0	0	0	0	115.4	C131 S134 Q138 N139	C131-G136 PolarHBondContact O-N 3.37Å; S134-G136 VanDerWaalsContact C-N 3.29Å; S134-G136 PolarHBondContact O-N 3.44Å; G136-Q138 VanDerWaalsContact C-N 3.34Å; G136-N139 PolarHBondContact O-ND2 3.42Å; G136-N139 VanDerWaalsContact O-ND2 3.07Å
137	K	97.2	Very high	98.3	Very high	193 Å²	193	29.1 Å²	29.1	84%	0.839	17%	0.169	S	C	*	.	S	Bend	trans	-66.8	-34.5	177.5	-68.5	177.2	-178.6	180	0	112.6	S134	S134-K137 WeakPolarHBondContact O-CB 3.35Å; S134-K137 VanDerWaalsContact O-CG 3.3Å; S134-K137 WeakPolarHBondContact O-CG 3.44Å; S134-K137 PolarHBondContact O-N 3.42Å; S134-K137 PolarHBondContact OG-N 2.89Å
138	Q	96.6	Very high	98.3	Very high	71 Å²	71	29.3 Å²	29.3	33%	0.332	17%	0.17	S	C	.	.			trans	-104.1	120.5	171.5	-59.7	-179.1	27.8	0	0	108.5	C131 S134 G136	C131-Q138 WeakPolarHBondContact CA-O 3.15Å; C131-Q138 VanDerWaalsContact CB-O 3.25Å; C131-Q138 WeakPolarHBondContact CB-O 3.39Å; C131-Q138 PolarHBondContact N-O 3.25Å; S134-Q138 PolarHBondContact OG-N 2.93Å; G136-Q138 VanDerWaalsContact C-N 3.34Å
139	N	96.1	Very high	98.2	Very high	90 Å²	90	30.1 Å²	30.1	48%	0.481	18%	0.176	S	C	.	.			trans	-127.7	83.5	172	-99	-73.4	0	0	0	107.2	C131 G136	C131-N139 PolarHBondContact SG-OD1 3.49Å; G136-N139 PolarHBondContact O-ND2 3.42Å; G136-N139 VanDerWaalsContact O-ND2 3.07Å
140	V	98.1	Very high	98.2	Very high	28 Å²	28	30.9 Å²	30.9	17%	0.17	18%	0.181	C	C	.	.			trans	-122	149.6	-169.9	-63.8	0	0	0	0	111	S127 L142 T177	S127-V140 VanDerWaalsContact CB-O 3.31Å; S127-V140 WeakPolarHBondContact CB-O 3.38Å; V140-L142 HydrophobicContact CG2-CD2 3.91Å; V140-L142 HydrophobicContact CG2-CG 4.27Å; V140-T177 HydrophobicContact CB-CG2 4.19Å; V140-T177 HydrophobicContact CG1-CG2 4.25Å
141	E	98.7	Very high	98.2	Very high	50 Å²	50	31 Å²	31	23%	0.234	18%	0.182	C	C	.	.			trans	-106.8	106.5	168.3	-166.5	179.2	-177.8	0	0	107.3	R109 T177 G178 S179	R109-E141 VanDerWaalsContact CZ-CG 3.47Å; R109-E141 IonicContact CZ-OE1 2.98Å; R109-E141 IonicContact NE-OE1 2.86Å; R109-E141 PolarHBondContact NE-OE1 2.87Å; R109-E141 IonicContact NH1-OE1 3.54Å; E141-T177 CarbonylContact O-C 3.56Å; E141-T177 VanDerWaalsContact O-CA 3.25Å; E141-T177 WeakPolarHBondContact O-CA 3.37Å; E141-G178 PolarHBondContact O-N 2.79Å; E141-S179 VanDerWaalsContact CD-CA 3.5Å; E141-S179 VanDerWaalsContact OE2-CA 3.3Å; E141-S179 WeakPolarHBondContact OE2-CA 3.2Å; E141-S179 WeakPolarHBondContact OE2-CB 3.17Å
142	L	98.8	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-75.8	142.2	-178.3	-61.7	-179.8	0	0	0	111.4	R109 V123 M126 S127 V140 A144 I175 H233	R109-L142 PolarHBondContact NH1-O 2.76Å; V123-L142 HydrophobicContact CB-CB 4.01Å; V123-L142 HydrophobicContact CG1-CB 4.36Å; M126-L142 HydrophobicContact CB-CD1 3.54Å; S127-L142 PolarHBondContact OG-N 3.08Å; V140-L142 HydrophobicContact CG2-CD2 3.91Å; V140-L142 HydrophobicContact CG2-CG 4.27Å; L142-A144 PolarHBondContact O-N 2.73Å; L142-I175 HydrophobicContact CB-CG2 4.08Å; L142-H233 HydrophobicContact CD2-CB 3.71Å
143	S	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.			trans	-75.2	113.8	-173.3	179.4	0	0	0	0	111.9	V145 D146 L147 I175 V176 E188	S143-V145 PolarHBondContact O-N 3.27Å; S143-V145 VanDerWaalsContact OG-CG1 3.22Å; S143-V145 WeakPolarHBondContact OG-CG1 3.25Å; S143-V145 PolarHBondContact OG-N 2.75Å; S143-D146 PolarHBondContact OG-N 2.75Å; S143-D146 VanDerWaalsContact OG-N 3.11Å; S143-L147 PolarHBondContact O-N 3.38Å; S143-I175 WeakPolarHBondContact O-CG2 3.34Å; S143-V176 VanDerWaalsContact CB-O 3.31Å; S143-V176 WeakPolarHBondContact CB-O 3.4Å; S143-V176 PolarHBondContact N-O 3.26Å; S143-E188 WeakPolarHBondContact CB-O 3.23Å; S143-E188 PolarHBondContact OG-O 2.87Å
144	A	98.8	Very high	98	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-34.1	170.3	0	0	0	0	0	111.6	F120 V123 L142 L148 Y190	F120-A144 HydrophobicContact CD2-CB 3.96Å; F120-A144 HydrophobicContact CE1-CB 4.38Å; F120-A144 HydrophobicContact CE2-CB 3.66Å; F120-A144 HydrophobicContact CG-CB 4.44Å; F120-A144 HydrophobicContact CZ-CB 3.88Å; V123-A144 HydrophobicContact CG2-CB 3.87Å; L142-A144 PolarHBondContact O-N 2.73Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 WeakPolarHBondContact O-CD2 3.19Å; A144-L148 WeakPolarHBondContact O-CG 3.38Å; A144-L148 PolarHBondContact O-N 2.88Å; A144-Y190 HydrophobicContact CB-CD2 4.11Å; A144-Y190 HydrophobicContact CB-CE2 4.29Å
145	V	98.7	Very high	97.9	Very high	10 Å²	10	41.6 Å²	41.6	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-73.8	-35.8	-177	65.5	0	0	0	0	112.8	S143 L148 S149 E188 Y190 P191 P214	S143-V145 PolarHBondContact O-N 3.27Å; S143-V145 VanDerWaalsContact OG-CG1 3.22Å; S143-V145 WeakPolarHBondContact OG-CG1 3.25Å; S143-V145 PolarHBondContact OG-N 2.75Å; V145-L148 HydrophobicContact CB-CD2 4.46Å; V145-S149 WeakPolarHBondContact O-CB 3.3Å; V145-S149 PolarHBondContact O-N 2.82Å; V145-S149 PolarHBondContact O-OG 3.23Å; V145-E188 HydrophobicContact CG1-CB 3.94Å; V145-E188 VanDerWaalsContact CG1-O 3.31Å; V145-E188 WeakPolarHBondContact CG1-O 3.44Å; V145-Y190 HydrophobicContact CB-CD2 4.09Å; V145-P191 HydrophobicContact CG2-CG 3.98Å; V145-P214 HydrophobicContact CG2-CB 4.24Å; V145-P214 HydrophobicContact CG2-CG 3.95Å
146	D	98.8	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-51.5	173.1	175.6	30.4	0	0	0	110.1	S143 C150 I175 V176 Y228 K232	S143-D146 PolarHBondContact OG-N 2.75Å; S143-D146 VanDerWaalsContact OG-N 3.11Å; D146-C150 WeakPolarHBondContact O-CB 3.15Å; D146-C150 PolarHBondContact O-N 3.13Å; D146-I175 HydrophobicContact CB-CG2 4.33Å; D146-I175 VanDerWaalsContact OD2-CA 3.24Å; D146-I175 WeakPolarHBondContact OD2-CA 3Å; D146-V176 HydrophobicContact CB-CG2 3.81Å; D146-V176 PolarHBondContact OD2-N 2.95Å; D146-Y228 PolarHBondContact OD1-OH 2.82Å; D146-K232 IonicContact OD1-NZ 2.73Å; D146-K232 PolarHBondContact OD1-NZ 2.83Å; D146-K232 IonicContact OD2-NZ 3.17Å; D146-K232 PolarHBondContact OD2-NZ 3.22Å
147	L	98.8	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-53.7	177.2	177	60.2	0	0	0	112.3	W118 A119 A122 V123 S143 S149 C151 A166 Y169 I175	W118-L147 HydrophobicContact CH2-CG 4.28Å; W118-L147 HydrophobicContact CZ3-CD1 4.24Å; W118-L147 HydrophobicContact CZ3-CD2 4.29Å; W118-L147 HydrophobicContact CZ3-CG 3.98Å; A119-L147 HydrophobicContact CB-CB 4.49Å; A119-L147 HydrophobicContact CB-CD2 3.82Å; A119-L147 HydrophobicContact CB-CG 4.08Å; A122-L147 HydrophobicContact CB-CD2 3.9Å; V123-L147 HydrophobicContact CG1-CB 4.14Å; V123-L147 HydrophobicContact CG1-CD2 3.72Å; S143-L147 PolarHBondContact O-N 3.38Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.13Å; L147-C151 HydrophobicContact CD1-CB 4Å; L147-C151 VanDerWaalsContact O-CB 3.27Å; L147-C151 WeakPolarHBondContact O-CB 3.31Å; L147-C151 PolarHBondContact O-N 2.79Å; L147-A166 HydrophobicContact CD1-CB 4.29Å; L147-A166 HydrophobicContact CD2-CB 4.08Å; L147-Y169 HydrophobicContact CD1-CD1 3.65Å; L147-Y169 HydrophobicContact CD1-CE1 4.33Å; L147-Y169 HydrophobicContact CD1-CG 4.22Å; L147-I175 HydrophobicContact CB-CD1 4.06Å; L147-I175 HydrophobicContact CB-CG1 4.45Å; L147-I175 HydrophobicContact CD1-CD1 4.07Å; L147-I175 HydrophobicContact CD2-CD1 4.09Å; L147-I175 HydrophobicContact CG-CD1 4.3Å
148	L	98.2	Very high	97.9	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-26.8	-172.8	81.6	87.5	0	0	0	113.4	W118 A119 A144 V145 Y190 T213	W118-L148 HydrophobicContact CH2-CB 4.41Å; W118-L148 HydrophobicContact CZ2-CB 4.01Å; A119-L148 HydrophobicContact CB-CB 3.81Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 WeakPolarHBondContact O-CD2 3.19Å; A144-L148 WeakPolarHBondContact O-CG 3.38Å; A144-L148 PolarHBondContact O-N 2.88Å; V145-L148 HydrophobicContact CB-CD2 4.46Å; L148-Y190 HydrophobicContact CD2-CD2 4.5Å; L148-Y190 HydrophobicContact CD2-CE2 3.61Å; L148-T213 HydrophobicContact CD1-CG2 4.01Å
149	S	98.6	Very high	98	Very high	17 Å²	17	36.7 Å²	36.7	12%	0.119	20%	0.201	C	C	.	.	H	α-helix	trans	-94.6	-26.4	-177.1	69.5	0	0	0	0	113.4	V145 L147 P214 C216	V145-S149 WeakPolarHBondContact O-CB 3.3Å; V145-S149 PolarHBondContact O-N 2.82Å; V145-S149 PolarHBondContact O-OG 3.23Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.13Å; S149-P214 VanDerWaalsContact CB-O 3.24Å; S149-P214 WeakPolarHBondContact CB-O 3.48Å; S149-C216 WeakPolarHBondContact O-CB 3.31Å
150	C	98.7	Very high	98	Very high	15 Å²	15	32.4 Å²	32.4	10%	0.101	18%	0.179	C	C	.	.	H	α-helix	trans	-105.8	-20	-175.6	-60.7	0	0	0	0	114.4	D146 E152 Y169 C216	D146-C150 WeakPolarHBondContact O-CB 3.15Å; D146-C150 PolarHBondContact O-N 3.13Å; C150-E152 PolarHBondContact O-N 3.49Å; C150-E152 VanDerWaalsContact O-N 3.16Å; C150-Y169 WeakPolarHBondContact CB-OH 3.22Å; C150-C216 HydrophobicContact CB-CB 3.95Å; C150-C216 WeakPolarHBondContact CB-SG 3.24Å; C150-C216 VanDerWaalsContact SG-CA 3.57Å; C150-C216 WeakPolarHBondContact SG-CB 3.32Å; C150-C216 CovalentContact SG-SG 2.04Å; C150-C216 PolarHBondContact SG-SG 3.44Å
151	C	98.6	Very high	98	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.034	17%	0.171	C	C	.	.			trans	-84.4	85.4	175.8	-173.9	0	0	0	0	112.4	L147 S153 C154 Y169	L147-C151 HydrophobicContact CD1-CB 4Å; L147-C151 VanDerWaalsContact O-CB 3.27Å; L147-C151 WeakPolarHBondContact O-CB 3.31Å; L147-C151 PolarHBondContact O-N 2.79Å; C151-S153 VanDerWaalsContact C-N 3.27Å; C151-S153 PolarHBondContact O-N 3.43Å; C151-S153 PolarHBondContact SG-OG 3.21Å; C151-C154 HydrophobicContact CB-CB 3.73Å; C151-C154 WeakPolarHBondContact CB-SG 3.48Å; C151-C154 WeakPolarHBondContact O-CB 3.3Å; C151-C154 PolarHBondContact O-N 2.9Å; C151-C154 VanDerWaalsContact O-N 3.15Å; C151-C154 WeakPolarHBondContact SG-CB 3.25Å; C151-C154 PolarHBondContact SG-N 2.86Å; C151-C154 CovalentContact SG-SG 2.02Å; C151-C154 PolarHBondContact SG-SG 3.07Å; C151-Y169 HydrophobicContact CB-CD1 4.17Å; C151-Y169 HydrophobicContact CB-CD2 3.63Å; C151-Y169 HydrophobicContact CB-CE1 4.49Å; C151-Y169 HydrophobicContact CB-CE2 3.99Å; C151-Y169 HydrophobicContact CB-CG 3.73Å
152	E	97.4	Very high	98	Very high	181 Å²	181	30.3 Å²	30.3	85%	0.846	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-63	-32.5	177.2	-61.7	-178	175.8	0	0	112.8	C150 C154	C150-E152 PolarHBondContact O-N 3.49Å; C150-E152 VanDerWaalsContact O-N 3.16Å; E152-C154 PolarHBondContact O-N 3.41Å
153	S	96.9	Very high	98	Very high	83 Å²	83	30.3 Å²	30.3	58%	0.58	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-75.3	-7.8	177.9	58.9	0	0	0	0	114.1	C151	C151-S153 VanDerWaalsContact C-N 3.27Å; C151-S153 PolarHBondContact O-N 3.43Å; C151-S153 PolarHBondContact SG-OG 3.21Å
154	C	98	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-88.9	-14.5	-177.8	-64.4	0	0	0	0	113.4	W118 C151 E152 G161 I162 P165 A166	W118-C154 HydrophobicContact CE3-CB 4.03Å; W118-C154 HydrophobicContact CH2-CB 3.31Å; W118-C154 HydrophobicContact CZ2-CB 4.21Å; W118-C154 HydrophobicContact CZ3-CB 3.22Å; C151-C154 HydrophobicContact CB-CB 3.73Å; C151-C154 WeakPolarHBondContact CB-SG 3.48Å; C151-C154 WeakPolarHBondContact O-CB 3.3Å; C151-C154 PolarHBondContact O-N 2.9Å; C151-C154 VanDerWaalsContact O-N 3.15Å; C151-C154 WeakPolarHBondContact SG-CB 3.25Å; C151-C154 PolarHBondContact SG-N 2.86Å; C151-C154 CovalentContact SG-SG 2.02Å; C151-C154 PolarHBondContact SG-SG 3.07Å; E152-C154 PolarHBondContact O-N 3.41Å; C154-G161 CarbonylContact O-C 3.58Å; C154-G161 WeakPolarHBondContact O-CA 3.26Å; C154-I162 PolarHBondContact O-N 3.38Å; C154-P165 HydrophobicContact CB-CB 4.34Å; C154-P165 PolarHBondContact SG-O 2.94Å; C154-P165 VanDerWaalsContact SG-O 3.42Å; C154-A166 VanDerWaalsContact SG-CA 3.51Å; C154-A166 PolarHBondContact SG-N 3.49Å; C154-A166 VanDerWaalsContact SG-N 3.43Å
155	G	95.2	Very high	98	Very high	23 Å²	23	30.3 Å²	30.3	24%	0.237	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	136.5	-138.3	-179.1	0	0	0	0	0	112.5
156	L	97.5	Very high	98	Very high	98 Å²	98	29.9 Å²	29.9	51%	0.513	17%	0.165	S	C	.	.			trans	-119.7	29.1	-166.6	-57.4	175.7	0	0	0	112	C158 E159 G160 T213	L156-C158 PolarHBondContact O-N 3.33Å; L156-C158 VanDerWaalsContact O-N 3.11Å; L156-E159 HydrophobicContact CB-CB 3.8Å; L156-E159 PolarHBondContact O-N 3.05Å; L156-G160 PolarHBondContact N-O 2.94Å; L156-T213 PolarHBondContact O-OG1 3.27Å; L156-T213 VanDerWaalsContact O-OG1 3.07Å
157	G	97.6	Very high	98	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-111.4	178.2	0	0	0	0	0	113	W118 E159 G160 T213	W118-G157 PolarHBondContact NE1-O 2.78Å; G157-E159 PolarHBondContact O-N 2.86Å; G157-G160 PolarHBondContact O-N 3.32Å; G157-T213 WeakPolarHBondContact CA-OG1 3.42Å
158	C	97.4	Very high	98	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.081	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.2	177.2	-69.4	0	0	0	0	114.4	C114 G115 L156 G160 Y211 T213	C114-C158 HydrophobicContact CB-CB 3.93Å; C114-C158 WeakPolarHBondContact CB-SG 3.47Å; C114-C158 WeakPolarHBondContact SG-CA 3.42Å; C114-C158 WeakPolarHBondContact SG-CB 3.41Å; C114-C158 CovalentContact SG-SG 2.04Å; C114-C158 PolarHBondContact SG-SG 3.18Å; G115-C158 WeakPolarHBondContact CA-O 3.32Å; G115-C158 PolarHBondContact N-O 3.31Å; L156-C158 PolarHBondContact O-N 3.33Å; L156-C158 VanDerWaalsContact O-N 3.11Å; C158-G160 VanDerWaalsContact C-N 3.29Å; C158-Y211 WeakPolarHBondContact CB-O 3.34Å; C158-T213 PolarHBondContact N-OG1 3.36Å
159	E	97.1	Very high	98	Very high	147 Å²	147	33 Å²	33	69%	0.687	18%	0.181	S	C	*	.	B	Isolated β-bridge	trans	-97.9	18.6	173.9	-61.8	176.6	-110.5	0	0	111.5	R66 L156 G157	R66-E159 PolarHBondContact NH1-O 2.97Å; L156-E159 HydrophobicContact CB-CB 3.8Å; L156-E159 PolarHBondContact O-N 3.05Å; G157-E159 PolarHBondContact O-N 2.86Å
160	G	97.6	Very high	98.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	18%	0.175	C	C	.	.			trans	91.6	161.8	176.7	0	0	0	0	0	115.3	G64 R66 G115 L156 G157 C158	G64-G160 CarbonylContact O-C 3.51Å; G64-G160 WeakPolarHBondContact O-CA 3.28Å; R66-G160 PolarHBondContact NH2-O 3.35Å; G115-G160 WeakPolarHBondContact O-CA 3.33Å; G115-G160 PolarHBondContact O-N 3.18Å; L156-G160 PolarHBondContact N-O 2.94Å; G157-G160 PolarHBondContact O-N 3.32Å; C158-G160 VanDerWaalsContact C-N 3.29Å
161	G	98.2	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-157.5	-167	-173.8	0	0	0	0	0	112.8	G64 R66 C154	G64-G161 PolarHBondContact O-N 2.77Å; R66-G161 PolarHBondContact N-O 2.86Å; C154-G161 CarbonylContact O-C 3.58Å; C154-G161 WeakPolarHBondContact O-CA 3.26Å
162	I	98.5	Very high	98.1	Very high	33 Å²	33	39.7 Å²	39.7	17%	0.169	21%	0.208	C	C	.	.			trans	-128.9	134.9	-166.5	-51	175.3	0	0	0	108.9	E68 C154 P165	E68-I162 HydrophobicContact CB-CG2 3.43Å; E68-I162 VanDerWaalsContact CB-CG2 3.43Å; E68-I162 HydrophobicContact CG-CG2 3.83Å; C154-I162 PolarHBondContact O-N 3.38Å; I162-P165 HydrophobicContact CB-CG 4.05Å; I162-P165 VanDerWaalsContact CG2-CD 3.49Å; I162-P165 HydrophobicContact CG2-CG 4.02Å
163	L	98.7	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-56.7	-172.3	-77.5	63.8	0	0	0	111.8	A65 A166 E259 A288 E333	A65-L163 HydrophobicContact CB-CD1 4.02Å; L163-A166 VanDerWaalsContact O-CB 3.27Å; L163-A166 WeakPolarHBondContact O-CB 3.34Å; L163-A166 PolarHBondContact O-N 3.01Å; L163-E259 HydrophobicContact CD2-CG 3.84Å; L163-E259 HydrophobicContact CG-CG 4.04Å; L163-A288 HydrophobicContact CD1-CB 3.97Å; L163-A288 HydrophobicContact CG-CB 4.34Å; L163-E333 HydrophobicContact CD2-CG 4.44Å; L163-E333 WeakPolarHBondContact CD2-O 3.43Å
164	G	98.7	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-45.9	-59.5	-178.8	0	0	0	0	0	113.2	R77 A166 W167 D168	R77-G164 PolarHBondContact NH1-O 3.05Å; R77-G164 PolarHBondContact NH2-O 2.96Å; G164-A166 PolarHBondContact O-N 2.99Å; G164-A166 VanDerWaalsContact O-N 3.16Å; G164-W167 PolarHBondContact O-N 3.22Å; G164-D168 PolarHBondContact O-N 2.78Å; G164-D168 VanDerWaalsContact O-N 3.15Å
165	P	98.7	Very high	98.2	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-28.7	-179.4	-31	39.2	0	0	0	115	C154 I162 W167 D168 Y169	C154-P165 HydrophobicContact CB-CB 4.34Å; C154-P165 PolarHBondContact SG-O 2.94Å; C154-P165 VanDerWaalsContact SG-O 3.42Å; I162-P165 HydrophobicContact CB-CG 4.05Å; I162-P165 VanDerWaalsContact CG2-CD 3.49Å; I162-P165 HydrophobicContact CG2-CG 4.02Å; P165-W167 VanDerWaalsContact C-N 3.34Å; P165-W167 PolarHBondContact O-N 3.47Å; P165-D168 WeakPolarHBondContact O-CB 3.27Å; P165-D168 PolarHBondContact O-N 2.8Å; P165-Y169 WeakPolarHBondContact O-CB 3.4Å; P165-Y169 PolarHBondContact O-N 2.9Å
166	A	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-42.4	175.3	0	0	0	0	0	111.9	W118 A122 L147 C154 L163 G164 Y169 W170	W118-A166 HydrophobicContact CE3-CB 3.98Å; W118-A166 HydrophobicContact CZ3-CB 3.93Å; A122-A166 HydrophobicContact CB-CB 3.96Å; L147-A166 HydrophobicContact CD1-CB 4.29Å; L147-A166 HydrophobicContact CD2-CB 4.08Å; C154-A166 VanDerWaalsContact SG-CA 3.51Å; C154-A166 PolarHBondContact SG-N 3.49Å; C154-A166 VanDerWaalsContact SG-N 3.43Å; L163-A166 VanDerWaalsContact O-CB 3.27Å; L163-A166 WeakPolarHBondContact O-CB 3.34Å; L163-A166 PolarHBondContact O-N 3.01Å; G164-A166 PolarHBondContact O-N 2.99Å; G164-A166 VanDerWaalsContact O-N 3.16Å; A166-Y169 PolarHBondContact O-N 3.13Å; A166-W170 PolarHBondContact O-N 3.5Å; A166-W170 VanDerWaalsContact O-N 3.08Å
167	W	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.8	-33.8	175.8	-66.9	77.6	0	0	0	112.6	A125 M126 G164 P165 W170 V171 E259 T335 A336	A125-W167 HydrophobicContact CB-CH2 3.75Å; A125-W167 HydrophobicContact CB-CZ2 3.76Å; M126-W167 HydrophobicContact CE-CB 4.12Å; M126-W167 HydrophobicContact CE-CD2 3.48Å; M126-W167 VanDerWaalsContact CE-CD2 3.48Å; M126-W167 HydrophobicContact CE-CE3 3.72Å; M126-W167 HydrophobicContact CE-CG 3.64Å; M126-W167 HydrophobicContact CE-CZ3 4.35Å; M126-W167 HydrophobicContact CG-CE3 4.04Å; M126-W167 HydrophobicContact CG-CH2 3.98Å; M126-W167 HydrophobicContact CG-CZ2 4.43Å; M126-W167 HydrophobicContact CG-CZ3 3.76Å; G164-W167 PolarHBondContact O-N 3.22Å; P165-W167 VanDerWaalsContact C-N 3.34Å; P165-W167 PolarHBondContact O-N 3.47Å; W167-W170 AromaticContact CE3-CE3 3.9Å; W167-W170 HydrophobicContact CE3-CE3 3.9Å; W167-W170 AromaticContact CE3-CZ3 3.99Å; W167-W170 HydrophobicContact CE3-CZ3 3.99Å; W167-W170 HydrophobicContact CZ3-CE3 4.28Å; W167-W170 AromaticContact CZ3-CZ3 3.98Å; W167-W170 HydrophobicContact CZ3-CZ3 3.98Å; W167-W170 PolarHBondContact O-N 2.69Å; W167-V171 WeakPolarHBondContact O-CG2 3.48Å; W167-V171 PolarHBondContact O-N 3.23Å; W167-E259 HydrophobicContact CZ2-CB 3.94Å; W167-E259 PolarHBondContact NE1-OE2 2.95Å; W167-T335 HydrophobicContact CB-CG2 4.28Å; W167-T335 VanDerWaalsContact CD1-CG2 3.42Å; W167-T335 HydrophobicContact CD2-CG2 4.49Å; W167-T335 HydrophobicContact CG-CG2 3.82Å; W167-A336 HydrophobicContact CH2-CB 4.45Å; W167-A336 VanDerWaalsContact CZ3-C 3.44Å
168	D	98.8	Very high	98.5	Very high	47 Å²	47	25.9 Å²	25.9	25%	0.251	13%	0.125	S	C	.	.	H	α-helix	trans	-59.8	-47.5	169.7	-83.9	-15	0	0	0	111.6	R77 G164 P165 W170 V171 K172 S238	R77-D168 VanDerWaalsContact CZ-CG 3.44Å; R77-D168 IonicContact CZ-OD1 3.69Å; R77-D168 IonicContact CZ-OD2 3.28Å; R77-D168 VanDerWaalsContact NH1-CG 3.29Å; R77-D168 IonicContact NH1-OD1 3.61Å; R77-D168 PolarHBondContact NH1-OD1 2.81Å; R77-D168 IonicContact NH1-OD2 2.71Å; R77-D168 IonicContact NH2-OD1 2.56Å; R77-D168 PolarHBondContact NH2-OD1 3.21Å; R77-D168 IonicContact NH2-OD2 3.53Å; R77-D168 PolarHBondContact NH2-OD2 3.3Å; G164-D168 PolarHBondContact O-N 2.78Å; G164-D168 VanDerWaalsContact O-N 3.15Å; P165-D168 WeakPolarHBondContact O-CB 3.27Å; P165-D168 PolarHBondContact O-N 2.8Å; D168-W170 VanDerWaalsContact C-N 3.28Å; D168-W170 PolarHBondContact O-N 2.86Å; D168-V171 PolarHBondContact O-N 3.15Å; D168-V171 VanDerWaalsContact O-N 3.08Å; D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 PolarHBondContact O-N 2.85Å; D168-S238 PolarHBondContact OD1-OG 3.41Å; D168-S238 VanDerWaalsContact OD1-OG 3.13Å
169	Y	98.8	Very high	98.6	Very high	24 Å²	24	25.4 Å²	25.4	9%	0.094	12%	0.122	C	C	.	.	H	α-helix	trans	-60.9	-40.7	-179.4	-177.8	-90.6	0	0	0	111.1	L147 C150 C151 P165 A166 V171 K172 E173 G174 I175	L147-Y169 HydrophobicContact CD1-CD1 3.65Å; L147-Y169 HydrophobicContact CD1-CE1 4.33Å; L147-Y169 HydrophobicContact CD1-CG 4.22Å; C150-Y169 WeakPolarHBondContact CB-OH 3.22Å; C151-Y169 HydrophobicContact CB-CD1 4.17Å; C151-Y169 HydrophobicContact CB-CD2 3.63Å; C151-Y169 HydrophobicContact CB-CE1 4.49Å; C151-Y169 HydrophobicContact CB-CE2 3.99Å; C151-Y169 HydrophobicContact CB-CG 3.73Å; P165-Y169 WeakPolarHBondContact O-CB 3.4Å; P165-Y169 PolarHBondContact O-N 2.9Å; A166-Y169 PolarHBondContact O-N 3.13Å; Y169-V171 VanDerWaalsContact C-N 3.29Å; Y169-V171 PolarHBondContact O-N 3.39Å; Y169-K172 PolarHBondContact O-N 2.92Å; Y169-E173 HydrophobicContact CD1-CB 4.43Å; Y169-E173 HydrophobicContact CD2-CB 4.11Å; Y169-E173 HydrophobicContact CD2-CG 3.88Å; Y169-E173 HydrophobicContact CE1-CB 4.1Å; Y169-E173 HydrophobicContact CE2-CB 3.74Å; Y169-E173 HydrophobicContact CE2-CG 3.61Å; Y169-E173 HydrophobicContact CG-CB 4.44Å; Y169-E173 PolarHBondContact O-N 3.4Å; Y169-G174 PolarHBondContact O-N 3.46Å; Y169-G174 VanDerWaalsContact O-N 3.09Å; Y169-I175 HydrophobicContact CD1-CG1 4.29Å; Y169-I175 HydrophobicContact CE1-CG1 4.37Å
170	W	98.9	Very high	98.6	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-60.1	-36.6	174.1	178.3	54	0	0	0	113.3	M126 A166 W167 D168 G174 I175 H233 R234 G235 I339	M126-W170 HydrophobicContact CB-CD2 4.39Å; M126-W170 HydrophobicContact CB-CZ2 4.29Å; M126-W170 HydrophobicContact CE-CB 3.56Å; M126-W170 HydrophobicContact CE-CD2 4.15Å; M126-W170 HydrophobicContact CE-CE3 4.15Å; M126-W170 HydrophobicContact CE-CG 3.94Å; M126-W170 HydrophobicContact CG-CD2 3.79Å; M126-W170 HydrophobicContact CG-CE3 3.9Å; M126-W170 HydrophobicContact CG-CG 4.2Å; M126-W170 HydrophobicContact CG-CH2 4.49Å; M126-W170 HydrophobicContact CG-CZ2 4.4Å; M126-W170 HydrophobicContact CG-CZ3 4.25Å; M126-W170 HydrophobicContact SD-CB 3.72Å; M126-W170 HydrophobicContact SD-CD2 3.81Å; M126-W170 HydrophobicContact SD-CE3 4.28Å; M126-W170 HydrophobicContact SD-CG 3.56Å; M126-W170 VanDerWaalsContact SD-CG 3.56Å; A166-W170 PolarHBondContact O-N 3.5Å; A166-W170 VanDerWaalsContact O-N 3.08Å; W167-W170 AromaticContact CE3-CE3 3.9Å; W167-W170 HydrophobicContact CE3-CE3 3.9Å; W167-W170 AromaticContact CE3-CZ3 3.99Å; W167-W170 HydrophobicContact CE3-CZ3 3.99Å; W167-W170 HydrophobicContact CZ3-CE3 4.28Å; W167-W170 AromaticContact CZ3-CZ3 3.98Å; W167-W170 HydrophobicContact CZ3-CZ3 3.98Å; W167-W170 PolarHBondContact O-N 2.69Å; D168-W170 VanDerWaalsContact C-N 3.28Å; D168-W170 PolarHBondContact O-N 2.86Å; W170-G174 VanDerWaalsContact O-CA 3.3Å; W170-G174 WeakPolarHBondContact O-CA 3.36Å; W170-G174 PolarHBondContact O-N 3.41Å; W170-I175 HydrophobicContact CB-CD1 3.95Å; W170-I175 HydrophobicContact CB-CG1 4.45Å; W170-I175 HydrophobicContact CG-CD1 4.23Å; W170-H233 PolarHBondContact NE1-O 3.15Å; W170-H233 VanDerWaalsContact NE1-O 3.1Å; W170-R234 WeakPolarHBondContact O-CA 3.46Å; W170-G235 VanDerWaalsContact CE2-CA 3.49Å; W170-G235 PolarHBondContact O-N 3.11Å; W170-I339 HydrophobicContact CH2-CG2 3.61Å; W170-I339 HydrophobicContact CZ2-CG2 3.66Å
171	V	98.8	Very high	98.5	Very high	34 Å²	34	23.1 Å²	23.1	21%	0.206	11%	0.112	C	C	.	.	H	α-helix	trans	-73.2	-46.1	174.7	175.4	0	0	0	0	111.3	W167 D168 Y169 R234 G235 S237	W167-V171 WeakPolarHBondContact O-CG2 3.48Å; W167-V171 PolarHBondContact O-N 3.23Å; D168-V171 PolarHBondContact O-N 3.15Å; D168-V171 VanDerWaalsContact O-N 3.08Å; Y169-V171 VanDerWaalsContact C-N 3.29Å; Y169-V171 PolarHBondContact O-N 3.39Å; V171-R234 PolarHBondContact O-NE 2.96Å; V171-R234 PolarHBondContact O-NH2 2.88Å; V171-G235 WeakPolarHBondContact CA-O 3.47Å; V171-S237 VanDerWaalsContact CG2-C 3.49Å
172	K	98.6	Very high	98.2	Very high	141 Å²	141	26.5 Å²	26.5	61%	0.613	13%	0.128	S	C	*	.	H	α-helix	trans	-76.5	-42.1	-171.7	-171.8	-170.9	171.1	-166.3	0	114	D168 Y169 R234	D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 PolarHBondContact O-N 2.85Å; Y169-K172 PolarHBondContact O-N 2.92Å; K172-R234 VanDerWaalsContact C-NH2 3.3Å; K172-R234 PolarHBondContact O-NH2 2.92Å
173	E	98.6	Very high	98.1	Very high	86 Å²	86	29.7 Å²	29.7	40%	0.402	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-30	-172.8	-58.2	-58.3	154.9	0	0	111.9	Y169	Y169-E173 HydrophobicContact CD1-CB 4.43Å; Y169-E173 HydrophobicContact CD2-CB 4.11Å; Y169-E173 HydrophobicContact CD2-CG 3.88Å; Y169-E173 HydrophobicContact CE1-CB 4.1Å; Y169-E173 HydrophobicContact CE2-CB 3.74Å; Y169-E173 HydrophobicContact CE2-CG 3.61Å; Y169-E173 HydrophobicContact CG-CB 4.44Å; Y169-E173 PolarHBondContact O-N 3.4Å
174	G	98.7	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.			trans	78.7	169.7	-174.4	0	0	0	0	0	113.2	Y169 W170 K232 H233	Y169-G174 PolarHBondContact O-N 3.46Å; Y169-G174 VanDerWaalsContact O-N 3.09Å; W170-G174 VanDerWaalsContact O-CA 3.3Å; W170-G174 WeakPolarHBondContact O-CA 3.36Å; W170-G174 PolarHBondContact O-N 3.41Å; G174-K232 VanDerWaalsContact C-CD 3.45Å; G174-K232 VanDerWaalsContact O-CD 3.3Å; G174-K232 WeakPolarHBondContact O-CD 3.25Å; G174-K232 PolarHBondContact O-NZ 3.21Å; G174-H233 VanDerWaalsContact CA-O 3.25Å; G174-H233 WeakPolarHBondContact CA-O 3.42Å
175	I	98.9	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-130.2	135.1	-176.4	-58.6	168.8	0	0	0	108.7	V123 M126 L142 S143 D146 L147 Y169 W170 H233	V123-I175 HydrophobicContact CG1-CD1 4.03Å; V123-I175 HydrophobicContact CG1-CG2 4.33Å; M126-I175 HydrophobicContact SD-CD1 3.67Å; L142-I175 HydrophobicContact CB-CG2 4.08Å; S143-I175 WeakPolarHBondContact O-CG2 3.34Å; D146-I175 HydrophobicContact CB-CG2 4.33Å; D146-I175 VanDerWaalsContact OD2-CA 3.24Å; D146-I175 WeakPolarHBondContact OD2-CA 3Å; L147-I175 HydrophobicContact CB-CD1 4.06Å; L147-I175 HydrophobicContact CB-CG1 4.45Å; L147-I175 HydrophobicContact CD1-CD1 4.07Å; L147-I175 HydrophobicContact CD2-CD1 4.09Å; L147-I175 HydrophobicContact CG-CD1 4.3Å; Y169-I175 HydrophobicContact CD1-CG1 4.29Å; Y169-I175 HydrophobicContact CE1-CG1 4.37Å; W170-I175 HydrophobicContact CB-CD1 3.95Å; W170-I175 HydrophobicContact CB-CG1 4.45Å; W170-I175 HydrophobicContact CG-CD1 4.23Å; I175-H233 PolarHBondContact N-O 3.28Å; I175-H233 PolarHBondContact O-N 3.03Å
176	V	98.9	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.			trans	-78.1	168.7	177.1	-57	0	0	0	0	111.5	S143 D146 C187 E188 Y228 D231 K232	S143-V176 VanDerWaalsContact CB-O 3.31Å; S143-V176 WeakPolarHBondContact CB-O 3.4Å; S143-V176 PolarHBondContact N-O 3.26Å; D146-V176 HydrophobicContact CB-CG2 3.81Å; D146-V176 PolarHBondContact OD2-N 2.95Å; V176-C187 HydrophobicContact CB-CB 3.83Å; V176-C187 HydrophobicContact CG2-CB 3.82Å; V176-E188 HydrophobicContact CG2-CB 4.12Å; V176-E188 HydrophobicContact CG2-CG 4.11Å; V176-Y228 HydrophobicContact CG1-CD2 3.63Å; V176-Y228 HydrophobicContact CG1-CE2 3.62Å; V176-Y228 HydrophobicContact CG1-CG 4.27Å; V176-Y228 WeakPolarHBondContact CG1-O 3.3Å; V176-Y228 HydrophobicContact CG2-CD2 4.38Å; V176-Y228 HydrophobicContact CG2-CE2 4.19Å; V176-D231 WeakPolarHBondContact CA-O 3.48Å; V176-D231 HydrophobicContact CB-CB 4.27Å; V176-D231 HydrophobicContact CG1-CB 4.22Å; V176-K232 HydrophobicContact CG1-CD 3.69Å; V176-K232 HydrophobicContact CG1-CG 3.98Å
177	T	98.9	Very high	97.8	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.067	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-72.3	150.4	172.5	64	0	0	0	0	111.7	V140 E141 G186 C187 E188 Y224 D231	V140-T177 HydrophobicContact CB-CG2 4.19Å; V140-T177 HydrophobicContact CG1-CG2 4.25Å; E141-T177 CarbonylContact O-C 3.56Å; E141-T177 VanDerWaalsContact O-CA 3.25Å; E141-T177 WeakPolarHBondContact O-CA 3.37Å; T177-G186 VanDerWaalsContact OG1-CA 3.23Å; T177-G186 WeakPolarHBondContact OG1-CA 3.14Å; T177-C187 WeakPolarHBondContact O-CA 3.2Å; T177-C187 WeakPolarHBondContact O-CB 3.44Å; T177-C187 PolarHBondContact O-N 3.02Å; T177-C187 PolarHBondContact OG1-N 3.23Å; T177-E188 PolarHBondContact O-N 3.11Å; T177-Y224 PolarHBondContact OG1-OH 3.28Å; T177-D231 WeakPolarHBondContact CB-OD2 3.32Å; T177-D231 PolarHBondContact N-OD2 3.21Å; T177-D231 PolarHBondContact OG1-OD2 3.31Å
178	G	98.7	Very high	97.7	Very high	2 Å²	2	40 Å²	40	2%	0.021	20%	0.202	C	C	.	.			trans	179.9	119.7	177.2	0	0	0	0	0	112.5	E141 E188	E141-G178 PolarHBondContact O-N 2.79Å; G178-E188 VanDerWaalsContact CA-O 3.31Å; G178-E188 WeakPolarHBondContact CA-O 3.16Å
179	S	98.1	Very high	97.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	20%	0.198	C	C	.	.			trans	-88.2	-170.6	179.7	63.5	0	0	0	0	113.4	E141 N183 T185 P189 Y190	E141-S179 VanDerWaalsContact CD-CA 3.5Å; E141-S179 VanDerWaalsContact OE2-CA 3.3Å; E141-S179 WeakPolarHBondContact OE2-CA 3.2Å; E141-S179 WeakPolarHBondContact OE2-CB 3.17Å; S179-N183 WeakPolarHBondContact OG-CB 3.03Å; S179-T185 WeakPolarHBondContact CB-OG1 3.3Å; S179-T185 PolarHBondContact N-O 2.84Å; S179-T185 WeakPolarHBondContact OG-CA 3.4Å; S179-T185 PolarHBondContact OG-N 3.26Å; S179-T185 PolarHBondContact OG-O 3.09Å; S179-T185 PolarHBondContact OG-OG1 3.23Å; S179-P189 CarbonylContact O-C 3.58Å; S179-P189 VanDerWaalsContact O-CA 3.32Å; S179-P189 WeakPolarHBondContact O-CA 3.31Å; S179-Y190 PolarHBondContact O-N 2.03Å
180	S	97.1	Very high	97.7	Very high	20 Å²	20	38.4 Å²	38.4	14%	0.14	20%	0.195	C	C	.	.			trans	-61.1	164.1	170	90.6	0	0	0	0	111.9	E182 N183 H184	S180-E182 VanDerWaalsContact CB-OE2 3.3Å; S180-E182 WeakPolarHBondContact CB-OE2 3.32Å; S180-E182 PolarHBondContact O-N 3.26Å; S180-E182 PolarHBondContact OG-N 3.01Å; S180-E182 PolarHBondContact OG-OE2 2.92Å; S180-N183 PolarHBondContact O-N 2.96Å; S180-H184 PolarHBondContact O-N 2.86Å
181	K	95.7	Very high	97.6	Very high	80 Å²	80	40.2 Å²	40.2	35%	0.348	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.1	177.1	-174.9	-172.1	-179.3	63.3	0	111.8	H184 Y190 P191 F192 P193	K181-H184 PolarHBondContact O-CD2 3.21Å; K181-H184 PolarHBondContact O-CE1 3.01Å; K181-H184 PolarHBondContact O-ND1 2.97Å; K181-H184 PolarHBondContact O-NE2 3.39Å; K181-Y190 WeakPolarHBondContact CA-O 3.47Å; K181-Y190 WeakPolarHBondContact CB-O 3.47Å; K181-Y190 PolarHBondContact N-O 3.18Å; K181-P191 PolarHBondContact NZ-O 2.79Å; K181-F192 WeakPolarHBondContact CB-O 3.33Å; K181-P193 VanDerWaalsContact CD-CA 3.46Å; K181-P193 HydrophobicContact CD-CB 3.75Å; K181-P193 HydrophobicContact CD-CG 4.5Å
182	E	93.5	Very high	97.4	Very high	71 Å²	71	39.4 Å²	39.4	33%	0.332	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-32.7	-171.7	-58.6	66.5	-142.5	0	0	112.1	S180 H184 P193 K194	S180-E182 VanDerWaalsContact CB-OE2 3.3Å; S180-E182 WeakPolarHBondContact CB-OE2 3.32Å; S180-E182 PolarHBondContact O-N 3.26Å; S180-E182 PolarHBondContact OG-N 3.01Å; S180-E182 PolarHBondContact OG-OE2 2.92Å; E182-H184 PolarHBondContact O-CD2 2.56Å; E182-H184 VanDerWaalsContact O-CD2 3.24Å; E182-P193 WeakPolarHBondContact OE1-CA 3.15Å; E182-K194 PolarHBondContact OE1-N 2.76Å; E182-K194 WeakPolarHBondContact OE2-CD 3.47Å; E182-K194 WeakPolarHBondContact OE2-CG 3.47Å
183	N	95.1	Very high	97.2	Very high	100 Å²	100	34 Å²	34	54%	0.535	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-29.5	-178.4	-74.9	-13.7	0	0	0	112.4	S179 S180 T185	S179-N183 WeakPolarHBondContact OG-CB 3.03Å; S180-N183 PolarHBondContact O-N 2.96Å; N183-T185 VanDerWaalsContact C-N 3.25Å; N183-T185 WeakPolarHBondContact O-CG2 3.46Å; N183-T185 PolarHBondContact O-N 3.07Å
184	H	94.6	Very high	96.8	Very high	119 Å²	119	30.9 Å²	30.9	55%	0.551	17%	0.166	S	C	*	.			trans	55.4	34.1	178.5	-60.3	-71.4	0	0	0	114.4	S180 K181 E182 Q221	S180-H184 PolarHBondContact O-N 2.86Å; K181-H184 PolarHBondContact O-CD2 3.21Å; K181-H184 PolarHBondContact O-CE1 3.01Å; K181-H184 PolarHBondContact O-ND1 2.97Å; K181-H184 PolarHBondContact O-NE2 3.39Å; E182-H184 PolarHBondContact O-CD2 2.56Å; E182-H184 VanDerWaalsContact O-CD2 3.24Å; H184-Q221 PolarHBondContact O-NE2 3.35Å
185	T	96.8	Very high	96	Very high	78 Å²	78	31 Å²	31	48%	0.479	17%	0.166	S	C	.	.			trans	-114.8	157.7	-178.9	59.6	0	0	0	0	113.2	S179 N183 P189	S179-T185 WeakPolarHBondContact CB-OG1 3.3Å; S179-T185 PolarHBondContact N-O 2.84Å; S179-T185 WeakPolarHBondContact OG-CA 3.4Å; S179-T185 PolarHBondContact OG-N 3.26Å; S179-T185 PolarHBondContact OG-O 3.09Å; S179-T185 PolarHBondContact OG-OG1 3.23Å; N183-T185 VanDerWaalsContact C-N 3.25Å; N183-T185 WeakPolarHBondContact O-CG2 3.46Å; N183-T185 PolarHBondContact O-N 3.07Å; T185-P189 WeakPolarHBondContact O-CG 3.31Å
186	G	98	Very high	95	Very high	13 Å²	13	31.4 Å²	31.4	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	85.5	-178	-174.9	0	0	0	0	0	113.5	T177 Q221 Y224	T177-G186 VanDerWaalsContact OG1-CA 3.23Å; T177-G186 WeakPolarHBondContact OG1-CA 3.14Å; G186-Q221 PolarHBondContact O-NE2 3.46Å; G186-Y224 VanDerWaalsContact C-CD2 3.49Å; G186-Y224 WeakPolarHBondContact O-CD2 3.01Å
187	C	98.7	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-66.9	-55.2	179.3	175.6	0	0	0	0	112.1	V176 T177 C220 Q221 Y224 D231	V176-C187 HydrophobicContact CB-CB 3.83Å; V176-C187 HydrophobicContact CG2-CB 3.82Å; T177-C187 WeakPolarHBondContact O-CA 3.2Å; T177-C187 WeakPolarHBondContact O-CB 3.44Å; T177-C187 PolarHBondContact O-N 3.02Å; T177-C187 PolarHBondContact OG1-N 3.23Å; C187-C220 HydrophobicContact CB-CB 3.82Å; C187-C220 WeakPolarHBondContact CB-SG 3.4Å; C187-C220 CarbonylContact O-C 3.49Å; C187-C220 VanDerWaalsContact O-CA 3.27Å; C187-C220 WeakPolarHBondContact O-CA 3.44Å; C187-C220 WeakPolarHBondContact SG-CA 3.27Å; C187-C220 WeakPolarHBondContact SG-CB 3.3Å; C187-C220 CovalentContact SG-SG 2.03Å; C187-C220 PolarHBondContact SG-SG 2.87Å; C187-Q221 PolarHBondContact O-N 2.82Å; C187-Y224 HydrophobicContact CB-CD1 3.84Å; C187-Y224 HydrophobicContact CB-CE1 3.81Å; C187-D231 HydrophobicContact CB-CB 4.33Å; C187-D231 WeakPolarHBondContact CB-OD2 3.48Å
188	E	98.6	Very high	91.7	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.047	19%	0.19	C	C	.	.	S	Bend	trans	-128.1	85.1	-177.7	-66.6	-168.1	164.2	0	0	111.4	S143 V145 V176 T177 G178 T219	S143-E188 WeakPolarHBondContact CB-O 3.23Å; S143-E188 PolarHBondContact OG-O 2.87Å; V145-E188 HydrophobicContact CG1-CB 3.94Å; V145-E188 VanDerWaalsContact CG1-O 3.31Å; V145-E188 WeakPolarHBondContact CG1-O 3.44Å; V176-E188 HydrophobicContact CG2-CB 4.12Å; V176-E188 HydrophobicContact CG2-CG 4.11Å; T177-E188 PolarHBondContact O-N 3.11Å; G178-E188 VanDerWaalsContact CA-O 3.31Å; G178-E188 WeakPolarHBondContact CA-O 3.16Å; E188-T219 PolarHBondContact OE1-N 2.87Å
189	P	98.4	Very high	90.2	Very high	24 Å²	24	38.4 Å²	38.4	16%	0.156	20%	0.203	C	C	.	.			trans	-61.4	151	173.2	-14.8	25.2	0	0	0	112.2	S179 T185	S179-P189 CarbonylContact O-C 3.58Å; S179-P189 VanDerWaalsContact O-CA 3.32Å; S179-P189 WeakPolarHBondContact O-CA 3.31Å; T185-P189 WeakPolarHBondContact O-CG 3.31Å
190	Y	98.3	Very high	89	Confident	13 Å²	13	48.6 Å²	48.6	5%	0.051	25%	0.247	C	C	.	.			trans	-59.2	133.2	179.1	-161	-120	0	0	0	110.9	Q111 S116 F120 A144 V145 L148 S179 K181 F192	Q111-Y190 WeakPolarHBondContact O-CE1 3.43Å; Q111-Y190 PolarHBondContact O-OH 3.09Å; S116-Y190 PolarHBondContact OG-OH 2.77Å; F120-Y190 HydrophobicContact CE2-CD2 4.2Å; F120-Y190 HydrophobicContact CE2-CE1 4.15Å; F120-Y190 AromaticContact CE2-CE2 3.52Å; F120-Y190 HydrophobicContact CE2-CE2 3.52Å; F120-Y190 AromaticContact CE2-CZ 3.48Å; F120-Y190 VanDerWaalsContact CE2-CZ 3.48Å; F120-Y190 WeakPolarHBondContact CE2-OH 3.37Å; F120-Y190 HydrophobicContact CZ-CD1 4.04Å; F120-Y190 AromaticContact CZ-CD2 3.93Å; F120-Y190 HydrophobicContact CZ-CD2 3.93Å; F120-Y190 AromaticContact CZ-CE1 3.72Å; F120-Y190 HydrophobicContact CZ-CE1 3.72Å; F120-Y190 AromaticContact CZ-CE2 3.64Å; F120-Y190 HydrophobicContact CZ-CE2 3.64Å; F120-Y190 HydrophobicContact CZ-CG 4.14Å; F120-Y190 AromaticContact CZ-CZ 3.52Å; A144-Y190 HydrophobicContact CB-CD2 4.11Å; A144-Y190 HydrophobicContact CB-CE2 4.29Å; V145-Y190 HydrophobicContact CB-CD2 4.09Å; L148-Y190 HydrophobicContact CD2-CD2 4.5Å; L148-Y190 HydrophobicContact CD2-CE2 3.61Å; S179-Y190 PolarHBondContact O-N 2.03Å; K181-Y190 WeakPolarHBondContact CA-O 3.47Å; K181-Y190 WeakPolarHBondContact CB-O 3.47Å; K181-Y190 PolarHBondContact N-O 3.18Å; Y190-F192 HydrophobicContact CD1-CB 4.13Å; Y190-F192 WeakPolarHBondContact CD1-O 3.36Å; Y190-F192 HydrophobicContact CE1-CB 3.73Å; Y190-F192 AromaticContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CG 4.12Å; Y190-F192 HydrophobicContact CE2-CD2 4.24Å; Y190-F192 AromaticContact CZ-CD2 3.5Å; Y190-F192 VanDerWaalsContact CZ-CD2 3.5Å; Y190-F192 WeakPolarHBondContact OH-CD2 3.45Å
191	P	96.9	Very high	88	Confident	39 Å²	39	50 Å²	50	25%	0.253	27%	0.265	S	S	.	.	S	Bend	trans	-83	-19.8	-171.3	30.5	-34.9	0	0	0	113.7	V145 K181 P214	V145-P191 HydrophobicContact CG2-CG 3.98Å; K181-P191 PolarHBondContact NZ-O 2.79Å; P191-P214 HydrophobicContact CG-CG 3.89Å
192	F	95.5	Very high	87.3	Confident	17 Å²	17	51.7 Å²	51.7	8%	0.075	27%	0.272	C	S	.	.	S	Bend	trans	-98.3	138.5	-174.1	-45.2	-43.5	0	0	0	110.8	C114 K181 Y190 Y211 P214	C114-F192 HydrophobicContact CB-CD2 3.8Å; C114-F192 HydrophobicContact CB-CE2 3.78Å; K181-F192 WeakPolarHBondContact CB-O 3.33Å; Y190-F192 HydrophobicContact CD1-CB 4.13Å; Y190-F192 WeakPolarHBondContact CD1-O 3.36Å; Y190-F192 HydrophobicContact CE1-CB 3.73Å; Y190-F192 AromaticContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CD2 3.67Å; Y190-F192 HydrophobicContact CE1-CG 4.12Å; Y190-F192 HydrophobicContact CE2-CD2 4.24Å; Y190-F192 AromaticContact CZ-CD2 3.5Å; Y190-F192 VanDerWaalsContact CZ-CD2 3.5Å; Y190-F192 WeakPolarHBondContact OH-CD2 3.45Å; F192-Y211 HydrophobicContact CB-CD2 3.97Å; F192-Y211 HydrophobicContact CB-CE2 3.9Å; F192-Y211 HydrophobicContact CB-CG 4.36Å; F192-Y211 AromaticContact CD1-CD1 3.3Å; F192-Y211 HydrophobicContact CD1-CD1 3.3Å; F192-Y211 AromaticContact CD1-CD2 4Å; F192-Y211 HydrophobicContact CD1-CD2 4Å; F192-Y211 AromaticContact CD1-CE1 3.69Å; F192-Y211 HydrophobicContact CD1-CE1 3.69Å; F192-Y211 HydrophobicContact CD1-CE2 4.35Å; F192-Y211 AromaticContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD1-CG 3.49Å; F192-Y211 VanDerWaalsContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD2-CD2 4.21Å; F192-Y211 HydrophobicContact CD2-CG 4.11Å; F192-Y211 AromaticContact CE1-CD1 3.52Å; F192-Y211 HydrophobicContact CE1-CD1 3.52Å; F192-Y211 HydrophobicContact CE1-CE1 4.3Å; F192-Y211 AromaticContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE2-CG 4.32Å; F192-Y211 AromaticContact CG-CD1 3.99Å; F192-Y211 HydrophobicContact CG-CD1 3.99Å; F192-Y211 AromaticContact CG-CD2 3.79Å; F192-Y211 HydrophobicContact CG-CD2 3.79Å; F192-Y211 HydrophobicContact CG-CE1 4.33Å; F192-Y211 HydrophobicContact CG-CE2 4.18Å; F192-Y211 AromaticContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CZ-CD1 4.34Å; F192-Y211 HydrophobicContact CZ-CG 4.12Å; F192-P214 HydrophobicContact CE1-CG 4.3Å; F192-P214 HydrophobicContact CE2-CG 4.29Å; F192-P214 HydrophobicContact CZ-CG 3.59Å
193	P	92.7	Very high	86.7	Confident	29 Å²	29	50.3 Å²	50.3	19%	0.188	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71.7	144.8	-173.4	30.2	-34.6	0	0	0	111.5	S112 K181 E182 Y211	S112-P193 VanDerWaalsContact CB-O 3.25Å; S112-P193 WeakPolarHBondContact CB-O 3.16Å; S112-P193 PolarHBondContact OG-O 3.28Å; K181-P193 VanDerWaalsContact CD-CA 3.46Å; K181-P193 HydrophobicContact CD-CB 3.75Å; K181-P193 HydrophobicContact CD-CG 4.5Å; E182-P193 WeakPolarHBondContact OE1-CA 3.15Å; P193-Y211 VanDerWaalsContact CD-OH 3.25Å; P193-Y211 WeakPolarHBondContact CD-OH 3.31Å
194	K	91.6	Very high	85.8	Confident	20 Å²	20	49.3 Å²	49.3	9%	0.087	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.4	138.8	152.3	-77.9	173.7	162.6	-88.7	0	107.6	D110 E182 Y203 E311	D110-K194 HydrophobicContact CB-CB 4.34Å; D110-K194 HydrophobicContact CB-CG 3.61Å; E182-K194 PolarHBondContact OE1-N 2.76Å; E182-K194 WeakPolarHBondContact OE2-CD 3.47Å; E182-K194 WeakPolarHBondContact OE2-CG 3.47Å; K194-Y203 HydrophobicContact CB-CD1 3.76Å; K194-Y203 HydrophobicContact CB-CD2 4.28Å; K194-Y203 HydrophobicContact CB-CE1 3.89Å; K194-Y203 HydrophobicContact CB-CE2 4.33Å; K194-Y203 HydrophobicContact CB-CG 3.97Å; K194-Y203 HydrophobicContact CD-CD1 4.4Å; K194-Y203 HydrophobicContact CD-CE1 3.67Å; K194-Y203 HydrophobicContact CD-CE2 4.4Å; K194-Y203 HydrophobicContact CG-CE1 4.39Å; K194-Y203 PolarHBondContact NZ-OH 3.03Å; K194-E311 IonicContact NZ-OE2 2.67Å; K194-E311 PolarHBondContact NZ-OE2 2.89Å
195	C	81.9	Confident	85.1	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	27%	0.27	C	S	.	.			trans	-148.6	141.7	-175	65.1	0	0	0	0	113.1	D110 H197 P204 C206 N310	D110-C195 PolarHBondContact OD2-N 3.29Å; C195-H197 PolarHBondContact O-ND1 3.48Å; C195-P204 CarbonylContact C-O 3.53Å; C195-P204 WeakPolarHBondContact CA-O 3.44Å; C195-P204 VanDerWaalsContact CB-O 3.28Å; C195-P204 WeakPolarHBondContact CB-O 3.27Å; C195-C206 VanDerWaalsContact CB-CA 3.47Å; C195-C206 HydrophobicContact CB-CB 3.71Å; C195-C206 WeakPolarHBondContact CB-SG 3.3Å; C195-C206 PolarHBondContact O-SG 2.86Å; C195-C206 WeakPolarHBondContact SG-CA 3.27Å; C195-C206 WeakPolarHBondContact SG-CB 2.99Å; C195-C206 CovalentContact SG-SG 2.01Å; C195-C206 PolarHBondContact SG-SG 3.25Å; C195-N310 PolarHBondContact O-ND2 2.95Å
196	E	77.2	Confident	84	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.042	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-74.5	126.8	168.7	-62	-61	160.2	0	0	106.7	T199 G201 K202 Y203 P204 P205 C206	E196-T199 WeakPolarHBondContact CB-O 3.11Å; E196-G201 VanDerWaalsContact CD-CA 3.44Å; E196-G201 WeakPolarHBondContact OE1-CA 3.26Å; E196-K202 PolarHBondContact OE1-N 3.17Å; E196-Y203 WeakPolarHBondContact CG-O 3.15Å; E196-Y203 WeakPolarHBondContact OE1-CD2 3.4Å; E196-Y203 PolarHBondContact OE1-N 2.89Å; E196-P204 PolarHBondContact N-O 3.41Å; E196-P205 CarbonylContact O-C 3.18Å; E196-P205 VanDerWaalsContact O-CA 3.3Å; E196-P205 WeakPolarHBondContact O-CA 3.34Å; E196-C206 PolarHBondContact O-N 2.99Å; E196-C206 PolarHBondContact O-SG 3.34Å; E196-C206 VanDerWaalsContact O-SG 3.35Å
197	H	66.1	Low	83	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.028	27%	0.269	C	S	.	.	S	Bend	trans	-90.9	115.5	170.2	-69.5	78.6	0	0	0	105.2	N51 R52 Q62 C195 T199 C206	N51-H197 CarbonylContact C-O 3.13Å; N51-H197 CarbonylContact O-C 3.5Å; N51-H197 WeakPolarHBondContact O-CB 3.43Å; R52-H197 HydrophobicContact CB-CB 4.27Å; R52-H197 HydrophobicContact CG-CB 4.07Å; R52-H197 PolarHBondContact NH1-CE1 2.66Å; R52-H197 VanDerWaalsContact NH1-CE1 3.25Å; R52-H197 PolarHBondContact NH1-ND1 2.97Å; R52-H197 PolarHBondContact NH2-CE1 3.38Å; R52-H197 VanDerWaalsContact NH2-CE1 3.27Å; R52-H197 VanDerWaalsContact O-CB 3.26Å; R52-H197 WeakPolarHBondContact O-CB 3.44Å; R52-H197 PolarHBondContact O-CD2 2.98Å; R52-H197 VanDerWaalsContact O-CG 3.24Å; Q62-H197 PolarHBondContact NE2-NE2 2.72Å; Q62-H197 VanDerWaalsContact NE2-NE2 3.11Å; Q62-H197 PolarHBondContact OE1-CE1 2.71Å; Q62-H197 PolarHBondContact OE1-NE2 3.13Å; C195-H197 PolarHBondContact O-ND1 3.48Å; H197-T199 PolarHBondContact O-N 3.46Å; H197-T199 PolarHBondContact O-OG1 3.48Å; H197-C206 PolarHBondContact CD2-SG 3.23Å; H197-C206 PolarHBondContact CE1-SG 3.31Å; H197-C206 PolarHBondContact ND1-SG 2.93Å; H197-C206 PolarHBondContact NE2-SG 2.88Å
198	H	61.6	Low	82.2	Confident	107 Å²	107	52.6 Å²	52.6	50%	0.495	31%	0.306	S	S	.	.	S	Bend	trans	48.6	15.4	165.8	-54	-96.6	0	0	0	118.8	H54	H54-H198 WeakPolarHBondContact CD2-CB 3.3Å; H54-H198 AromaticContact CD2-CD2 2.9Å; H54-H198 PolarHBondContact CD2-CD2 2.59Å; H54-H198 AromaticContact CD2-CE1 3.61Å; H54-H198 AromaticContact CD2-CG 2.98Å; H54-H198 AromaticContact CD2-ND1 3.44Å; H54-H198 PolarHBondContact CD2-ND1 2.76Å; H54-H198 AromaticContact CD2-NE2 3.36Å; H54-H198 PolarHBondContact CD2-NE2 2.98Å; H54-H198 AromaticContact CE1-CG 3.77Å; H54-H198 AromaticContact CE1-ND1 3.97Å; H54-H198 AromaticContact CG-CD2 3.73Å; H54-H198 AromaticContact CG-CE1 3.65Å; H54-H198 AromaticContact CG-CG 3.69Å; H54-H198 AromaticContact CG-ND1 3.64Å; H54-H198 AromaticContact CG-NE2 3.74Å; H54-H198 AromaticContact ND1-ND1 3.99Å; H54-H198 WeakPolarHBondContact NE2-CB 3.47Å; H54-H198 AromaticContact NE2-CD2 3.47Å; H54-H198 PolarHBondContact NE2-CD2 3.13Å; H54-H198 AromaticContact NE2-CG 3.06Å; H54-H198 AromaticContact NE2-ND1 3.67Å
199	T	68.4	Low	81.7	Confident	48 Å²	48	58.4 Å²	58.4	29%	0.294	33%	0.331	S	S	.	.	S	Bend	trans	-120.2	163.1	167.4	49	0	0	0	0	110.3	N51 E196 H197	N51-T199 HydrophobicContact CB-CG2 3.52Å; N51-T199 WeakPolarHBondContact OD1-CG2 3.23Å; E196-T199 WeakPolarHBondContact CB-O 3.11Å; H197-T199 PolarHBondContact O-N 3.46Å; H197-T199 PolarHBondContact O-OG1 3.48Å
200	K	72	Confident	81.3	Confident	216 Å²	216	62.7 Å²	62.7	94%	0.939	35%	0.351	S	S	*	.			trans	-85.4	119	163.3	-64.4	-174.5	-179.5	178.9	0	107.3
201	G	76.3	Confident	81.1	Confident	50 Å²	50	63.6 Å²	63.6	52%	0.515	36%	0.355	S	S	.	.	S	Bend	trans	-144.8	-154.6	174.9	0	0	0	0	0	110.9	E196	E196-G201 VanDerWaalsContact CD-CA 3.44Å; E196-G201 WeakPolarHBondContact OE1-CA 3.26Å
202	K	81.5	Confident	81	Confident	116 Å²	116	70.5 Å²	70.5	50%	0.504	38%	0.381	S	S	.	.	S	Bend	trans	-81.6	-20.3	-176	63.5	-170.3	161.9	-156.1	0	112.8	E196 E311 D312	E196-K202 PolarHBondContact OE1-N 3.17Å; K202-E311 WeakPolarHBondContact CE-OE1 3.24Å; K202-E311 IonicContact NZ-OE1 2.71Å; K202-E311 PolarHBondContact NZ-OE1 3.43Å; K202-D312 VanDerWaalsContact CE-OD1 3.32Å; K202-D312 WeakPolarHBondContact CE-OD1 3.38Å; K202-D312 WeakPolarHBondContact CE-OD2 3.22Å; K202-D312 IonicContact NZ-OD1 3.73Å; K202-D312 PolarHBondContact NZ-OD1 3.27Å; K202-D312 IonicContact NZ-OD2 3.51Å
203	Y	79.6	Confident	81.2	Confident	42 Å²	42	72.1 Å²	72.1	17%	0.165	39%	0.392	C	S	.	.	S	Bend	trans	-99.8	163.5	179.6	-53.5	-59.3	0	0	0	113.3	K194 E196 N310 E311	K194-Y203 HydrophobicContact CB-CD1 3.76Å; K194-Y203 HydrophobicContact CB-CD2 4.28Å; K194-Y203 HydrophobicContact CB-CE1 3.89Å; K194-Y203 HydrophobicContact CB-CE2 4.33Å; K194-Y203 HydrophobicContact CB-CG 3.97Å; K194-Y203 HydrophobicContact CD-CD1 4.4Å; K194-Y203 HydrophobicContact CD-CE1 3.67Å; K194-Y203 HydrophobicContact CD-CE2 4.4Å; K194-Y203 HydrophobicContact CG-CE1 4.39Å; K194-Y203 PolarHBondContact NZ-OH 3.03Å; E196-Y203 WeakPolarHBondContact CG-O 3.15Å; E196-Y203 WeakPolarHBondContact OE1-CD2 3.4Å; E196-Y203 PolarHBondContact OE1-N 2.89Å; Y203-N310 HydrophobicContact CE2-CB 4.26Å; Y203-E311 VanDerWaalsContact OH-CD 3.31Å; Y203-E311 PolarHBondContact OH-OE1 3.24Å; Y203-E311 PolarHBondContact OH-OE2 3.31Å
204	P	77.5	Confident	81.4	Confident	78 Å²	78	72 Å²	72	51%	0.506	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-66	154.1	171.5	-19.4	33	0	0	0	111.6	C195 E196 C206	C195-P204 CarbonylContact C-O 3.53Å; C195-P204 WeakPolarHBondContact CA-O 3.44Å; C195-P204 VanDerWaalsContact CB-O 3.28Å; C195-P204 WeakPolarHBondContact CB-O 3.27Å; E196-P204 PolarHBondContact N-O 3.41Å; P204-C206 PolarHBondContact O-N 3.34Å
205	P	79.5	Confident	81.7	Confident	107 Å²	107	81.4 Å²	81.4	70%	0.695	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-55.4	138.4	169.1	-23.7	33.7	0	0	0	111.3	E196 G207	E196-P205 CarbonylContact O-C 3.18Å; E196-P205 VanDerWaalsContact O-CA 3.3Å; E196-P205 WeakPolarHBondContact O-CA 3.34Å; P205-G207 PolarHBondContact O-N 3.41Å; P205-G207 VanDerWaalsContact O-N 3.1Å
206	C	72.8	Confident	82.5	Confident	12 Å²	12	83 Å²	83	8%	0.081	44%	0.437	C	S	.	.			trans	-62.3	-20.4	-179.4	-62.6	0	0	0	0	114.9	R113 C195 E196 H197 P204	R113-C206 HydrophobicContact CG-CB 4.21Å; C195-C206 VanDerWaalsContact CB-CA 3.47Å; C195-C206 HydrophobicContact CB-CB 3.71Å; C195-C206 WeakPolarHBondContact CB-SG 3.3Å; C195-C206 PolarHBondContact O-SG 2.86Å; C195-C206 WeakPolarHBondContact SG-CA 3.27Å; C195-C206 WeakPolarHBondContact SG-CB 2.99Å; C195-C206 CovalentContact SG-SG 2.01Å; C195-C206 PolarHBondContact SG-SG 3.25Å; E196-C206 PolarHBondContact O-N 2.99Å; E196-C206 PolarHBondContact O-SG 3.34Å; E196-C206 VanDerWaalsContact O-SG 3.35Å; H197-C206 PolarHBondContact CD2-SG 3.23Å; H197-C206 PolarHBondContact CE1-SG 3.31Å; H197-C206 PolarHBondContact ND1-SG 2.93Å; H197-C206 PolarHBondContact NE2-SG 2.88Å; P204-C206 PolarHBondContact O-N 3.34Å
207	G	77.3	Confident	83.5	Confident	51 Å²	51	89.1 Å²	89.1	53%	0.526	46%	0.464	S	S	.	.			trans	62.7	-169.3	-171.5	0	0	0	0	0	112.2	R113 P205	R113-G207 WeakPolarHBondContact CD-O 3.03Å; R113-G207 PolarHBondContact NE-O 2.96Å; P205-G207 PolarHBondContact O-N 3.41Å; P205-G207 VanDerWaalsContact O-N 3.1Å
208	S	83.1	Confident	85	Confident	109 Å²	109	94.6 Å²	94.6	76%	0.762	49%	0.489	S	S	*	.	S	Bend	trans	-98.1	2.6	-179.7	54.7	0	0	0	0	113.5	I210	S208-I210 PolarHBondContact O-N 3.27Å
209	K	86.7	Confident	86.7	Confident	132 Å²	132	94 Å²	94	57%	0.574	49%	0.494	S	S	*	.			trans	-68.4	124.6	-174.2	-174.9	170.1	177.4	179.1	0	110.6	R113 Y211	R113-K209 WeakPolarHBondContact CB-O 3.03Å; R113-K209 VanDerWaalsContact CD-O 3.27Å; R113-K209 WeakPolarHBondContact CD-O 3.39Å; R113-K209 PolarHBondContact NE-O 2.88Å; K209-Y211 HydrophobicContact CD-CD1 3.98Å; K209-Y211 HydrophobicContact CD-CE1 3.52Å; K209-Y211 HydrophobicContact CG-CD1 4.15Å; K209-Y211 HydrophobicContact CG-CE1 4Å
210	I	89.9	Confident	88.2	Confident	114 Å²	114	92.7 Å²	92.7	59%	0.585	49%	0.486	S	S	*	.			trans	-92.1	115.9	168.6	-58.8	172.3	0	0	0	106.9	I61 S208	I61-I210 HydrophobicContact CD1-CG1 4.11Å; I61-I210 HydrophobicContact CG2-CG2 4.48Å; S208-I210 PolarHBondContact O-N 3.27Å
211	Y	94.1	Very high	89.4	Confident	32 Å²	32	85.1 Å²	85.1	13%	0.125	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-79.3	130.5	-176.3	-67.3	-68.8	0	0	0	111.1	S112 R113 C158 F192 P193 K209	S112-Y211 WeakPolarHBondContact OG-CE2 3.38Å; R113-Y211 HydrophobicContact CB-CD2 3.87Å; R113-Y211 HydrophobicContact CB-CE2 4.08Å; R113-Y211 WeakPolarHBondContact O-CD2 3.36Å; R113-Y211 PolarHBondContact O-N 3.08Å; C158-Y211 WeakPolarHBondContact CB-O 3.34Å; F192-Y211 HydrophobicContact CB-CD2 3.97Å; F192-Y211 HydrophobicContact CB-CE2 3.9Å; F192-Y211 HydrophobicContact CB-CG 4.36Å; F192-Y211 AromaticContact CD1-CD1 3.3Å; F192-Y211 HydrophobicContact CD1-CD1 3.3Å; F192-Y211 AromaticContact CD1-CD2 4Å; F192-Y211 HydrophobicContact CD1-CD2 4Å; F192-Y211 AromaticContact CD1-CE1 3.69Å; F192-Y211 HydrophobicContact CD1-CE1 3.69Å; F192-Y211 HydrophobicContact CD1-CE2 4.35Å; F192-Y211 AromaticContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD1-CG 3.49Å; F192-Y211 VanDerWaalsContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD2-CD2 4.21Å; F192-Y211 HydrophobicContact CD2-CG 4.11Å; F192-Y211 AromaticContact CE1-CD1 3.52Å; F192-Y211 HydrophobicContact CE1-CD1 3.52Å; F192-Y211 HydrophobicContact CE1-CE1 4.3Å; F192-Y211 AromaticContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE2-CG 4.32Å; F192-Y211 AromaticContact CG-CD1 3.99Å; F192-Y211 HydrophobicContact CG-CD1 3.99Å; F192-Y211 AromaticContact CG-CD2 3.79Å; F192-Y211 HydrophobicContact CG-CD2 3.79Å; F192-Y211 HydrophobicContact CG-CE1 4.33Å; F192-Y211 HydrophobicContact CG-CE2 4.18Å; F192-Y211 AromaticContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CZ-CD1 4.34Å; F192-Y211 HydrophobicContact CZ-CG 4.12Å; P193-Y211 VanDerWaalsContact CD-OH 3.25Å; P193-Y211 WeakPolarHBondContact CD-OH 3.31Å; K209-Y211 HydrophobicContact CD-CD1 3.98Å; K209-Y211 HydrophobicContact CD-CE1 3.52Å; K209-Y211 HydrophobicContact CG-CD1 4.15Å; K209-Y211 HydrophobicContact CG-CE1 4Å
212	K	96.7	Very high	90.4	Very high	185 Å²	185	93.1 Å²	93.1	80%	0.804	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-81	152.2	169.6	-63.7	-173.1	177.6	-173	0	110.4	P214	K212-P214 WeakPolarHBondContact O-CD 3.18Å
213	T	97.9	Very high	91.1	Very high	50 Å²	50	97 Å²	97	31%	0.307	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-51.5	120.9	170.8	-54.3	0	0	0	0	109.9	L148 L156 G157 C158	L148-T213 HydrophobicContact CD1-CG2 4.01Å; L156-T213 PolarHBondContact O-OG1 3.27Å; L156-T213 VanDerWaalsContact O-OG1 3.07Å; G157-T213 WeakPolarHBondContact CA-OG1 3.42Å; C158-T213 PolarHBondContact N-OG1 3.36Å
214	P	97.8	Very high	92	Very high	28 Å²	28	98.2 Å²	98.2	18%	0.182	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.3	154.6	173.8	-21.2	34.7	0	0	0	110.6	V145 S149 P191 F192 K212	V145-P214 HydrophobicContact CG2-CB 4.24Å; V145-P214 HydrophobicContact CG2-CG 3.95Å; S149-P214 VanDerWaalsContact CB-O 3.24Å; S149-P214 WeakPolarHBondContact CB-O 3.48Å; P191-P214 HydrophobicContact CG-CG 3.89Å; F192-P214 HydrophobicContact CE1-CG 4.3Å; F192-P214 HydrophobicContact CE2-CG 4.29Å; F192-P214 HydrophobicContact CZ-CG 3.59Å; K212-P214 WeakPolarHBondContact O-CD 3.18Å
215	R	97.9	Very high	92.9	Very high	216 Å²	216	104 Å²	104	82%	0.815	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-65.4	138.2	168	175.1	-178.3	152.9	173.5	-3.9	109.9	K217	R215-K217 PolarHBondContact O-N 3.06Å; R215-K217 VanDerWaalsContact O-N 3.13Å
216	C	98.4	Very high	93.8	Very high	35 Å²	35	101.3 Å²	101.3	24%	0.236	50%	0.495	C	S	.	.			trans	-57.4	111.9	165.7	-178.3	0	0	0	0	110.1	S149 C150 Q218	S149-C216 WeakPolarHBondContact O-CB 3.31Å; C150-C216 HydrophobicContact CB-CB 3.95Å; C150-C216 WeakPolarHBondContact CB-SG 3.24Å; C150-C216 VanDerWaalsContact SG-CA 3.57Å; C150-C216 WeakPolarHBondContact SG-CB 3.32Å; C150-C216 CovalentContact SG-SG 2.04Å; C150-C216 PolarHBondContact SG-SG 3.44Å; C216-Q218 VanDerWaalsContact SG-CG 3.52Å
217	K	97.7	Very high	95	Very high	138 Å²	138	103.7 Å²	103.7	60%	0.6	51%	0.51	S	S	*	.			trans	-87.5	-36.1	-173.2	-70.9	-179.3	-175.6	170.8	0	113	R215 T219	R215-K217 PolarHBondContact O-N 3.06Å; R215-K217 VanDerWaalsContact O-N 3.13Å; K217-T219 PolarHBondContact O-N 3.11Å; K217-T219 PolarHBondContact O-OG1 2.76Å
218	Q	98.1	Very high	96.1	Very high	121 Å²	121	102.4 Å²	102.4	57%	0.565	49%	0.49	S	S	*	.			trans	51	36.8	-172.6	-55.6	-175.4	-33.2	0	0	112.5	C216 Y228	C216-Q218 VanDerWaalsContact SG-CG 3.52Å; Q218-Y228 VanDerWaalsContact C-CG 3.47Å; Q218-Y228 HydrophobicContact CB-CD1 4.04Å; Q218-Y228 HydrophobicContact CB-CE1 3.73Å; Q218-Y228 HydrophobicContact CB-CE2 4.47Å; Q218-Y228 HydrophobicContact CG-CE1 3.99Å
219	T	98.3	Very high	96.8	Very high	95 Å²	95	102.5 Å²	102.5	58%	0.583	49%	0.486	S	S	*	.			trans	-154.4	122.5	-175.6	-61.5	0	0	0	0	109.9	E188 K217	E188-T219 PolarHBondContact OE1-N 2.87Å; K217-T219 PolarHBondContact O-N 3.11Å; K217-T219 PolarHBondContact O-OG1 2.76Å
220	C	98.5	Very high	97.3	Very high	19 Å²	19	103 Å²	103	13%	0.128	49%	0.49	C	S	.	.			trans	-66.3	156.7	177.3	-54.1	0	0	0	0	112.7	C187 Y224 T226 Y228	C187-C220 HydrophobicContact CB-CB 3.82Å; C187-C220 WeakPolarHBondContact CB-SG 3.4Å; C187-C220 CarbonylContact O-C 3.49Å; C187-C220 VanDerWaalsContact O-CA 3.27Å; C187-C220 WeakPolarHBondContact O-CA 3.44Å; C187-C220 WeakPolarHBondContact SG-CA 3.27Å; C187-C220 WeakPolarHBondContact SG-CB 3.3Å; C187-C220 CovalentContact SG-SG 2.03Å; C187-C220 PolarHBondContact SG-SG 2.87Å; C220-Y224 HydrophobicContact CB-CD1 4Å; C220-T226 PolarHBondContact SG-O 3.41Å; C220-T226 VanDerWaalsContact SG-O 3.37Å; C220-Y228 WeakPolarHBondContact SG-CA 3.39Å
221	Q	98.2	Very high	97.8	Very high	58 Å²	58	98 Å²	98	27%	0.271	47%	0.465	S	S	.	.			trans	-57.1	143.9	170.4	61.8	171.5	-31.2	0	0	111.5	H184 G186 C187 K223 Y224	H184-Q221 PolarHBondContact O-NE2 3.35Å; G186-Q221 PolarHBondContact O-NE2 3.46Å; C187-Q221 PolarHBondContact O-N 2.82Å; Q221-K223 PolarHBondContact O-N 3.25Å; Q221-Y224 WeakPolarHBondContact O-CB 3.42Å; Q221-Y224 PolarHBondContact O-N 2.72Å
222	K	96.8	Very high	98	Very high	217 Å²	217	98.4 Å²	98.4	94%	0.943	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.7	-170.1	-65.1	-175.8	178	-176.3	0	115.5
223	K	96.3	Very high	98.1	Very high	197 Å²	197	91.6 Å²	91.6	86%	0.857	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13	-178.8	-67	-176	179.1	-180	0	113.4	Q221	Q221-K223 PolarHBondContact O-N 3.25Å
224	Y	97.9	Very high	98.1	Very high	68 Å²	68	96.1 Å²	96.1	27%	0.267	45%	0.449	S	S	.	.			trans	-87.2	126.1	-178.8	-163	-107.7	0	0	0	110.2	T177 G186 C187 C220 Q221 T226 D231	T177-Y224 PolarHBondContact OG1-OH 3.28Å; G186-Y224 VanDerWaalsContact C-CD2 3.49Å; G186-Y224 WeakPolarHBondContact O-CD2 3.01Å; C187-Y224 HydrophobicContact CB-CD1 3.84Å; C187-Y224 HydrophobicContact CB-CE1 3.81Å; C220-Y224 HydrophobicContact CB-CD1 4Å; Q221-Y224 WeakPolarHBondContact O-CB 3.42Å; Q221-Y224 PolarHBondContact O-N 2.72Å; Y224-T226 WeakPolarHBondContact CD1-O 3.25Å; Y224-D231 HydrophobicContact CE1-CB 4.28Å; Y224-D231 PolarHBondContact OH-OD1 2.79Å
225	K	97.6	Very high	98.1	Very high	199 Å²	199	95.1 Å²	95.1	87%	0.865	44%	0.444	S	S	*	.			trans	-84.1	-31.1	-168.1	-65.9	-179.5	179.6	178.7	0	113.8	P227	K225-P227 WeakPolarHBondContact O-CD 3.47Å
226	T	98.3	Very high	98.2	Very high	52 Å²	52	91.3 Å²	91.3	32%	0.319	43%	0.433	S	S	.	.	S	Bend	trans	-74.8	125.8	-178.5	-48.7	0	0	0	0	109.3	C220 Y224 Q230 D231	C220-T226 PolarHBondContact SG-O 3.41Å; C220-T226 VanDerWaalsContact SG-O 3.37Å; Y224-T226 WeakPolarHBondContact CD1-O 3.25Å; T226-Q230 HydrophobicContact CG2-CB 3.81Å; T226-D231 HydrophobicContact CG2-CB 4.01Å
227	P	98.3	Very high	98.2	Very high	61 Å²	61	91.6 Å²	91.6	40%	0.396	44%	0.436	S	S	.	.			trans	-57.9	147.8	174.8	-24.8	34.3	0	0	0	112.4	K225 T229 Q230 D231	K225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-T229 VanDerWaalsContact C-N 3.3Å; P227-T229 PolarHBondContact O-N 3.48Å; P227-Q230 HydrophobicContact CB-CB 4.43Å; P227-Q230 HydrophobicContact CB-CG 4.32Å; P227-Q230 HydrophobicContact CG-CG 4.4Å; P227-Q230 WeakPolarHBondContact O-CA 3.49Å; P227-Q230 PolarHBondContact O-N 2.72Å; P227-D231 PolarHBondContact O-N 3.44Å
228	Y	98.7	Very high	98.3	Very high	24 Å²	24	85.7 Å²	85.7	9%	0.094	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-46.4	-177.2	170.9	-92.6	0	0	0	113.3	D146 V176 Q218 C220 Q230 D231 K232	D146-Y228 PolarHBondContact OD1-OH 2.82Å; V176-Y228 HydrophobicContact CG1-CD2 3.63Å; V176-Y228 HydrophobicContact CG1-CE2 3.62Å; V176-Y228 HydrophobicContact CG1-CG 4.27Å; V176-Y228 WeakPolarHBondContact CG1-O 3.3Å; V176-Y228 HydrophobicContact CG2-CD2 4.38Å; V176-Y228 HydrophobicContact CG2-CE2 4.19Å; Q218-Y228 VanDerWaalsContact C-CG 3.47Å; Q218-Y228 HydrophobicContact CB-CD1 4.04Å; Q218-Y228 HydrophobicContact CB-CE1 3.73Å; Q218-Y228 HydrophobicContact CB-CE2 4.47Å; Q218-Y228 HydrophobicContact CG-CE1 3.99Å; C220-Y228 WeakPolarHBondContact SG-CA 3.39Å; Y228-Q230 VanDerWaalsContact C-N 3.3Å; Y228-Q230 PolarHBondContact O-N 3.38Å; Y228-D231 PolarHBondContact O-N 2.88Å; Y228-K232 WeakPolarHBondContact OH-CE 3.44Å; Y228-K232 PolarHBondContact OH-NZ 2.97Å
229	T	98.3	Very high	98.3	Very high	111 Å²	111	80.5 Å²	80.5	68%	0.681	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.6	-179.8	51	0	0	0	0	113.5	P227	P227-T229 VanDerWaalsContact C-N 3.3Å; P227-T229 PolarHBondContact O-N 3.48Å
230	Q	98.4	Very high	98.3	Very high	144 Å²	144	76.1 Å²	76.1	67%	0.673	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-19.6	176.8	-66.5	-176.9	7.3	0	0	112.6	T226 P227 Y228 K232	T226-Q230 HydrophobicContact CG2-CB 3.81Å; P227-Q230 HydrophobicContact CB-CB 4.43Å; P227-Q230 HydrophobicContact CB-CG 4.32Å; P227-Q230 HydrophobicContact CG-CG 4.4Å; P227-Q230 WeakPolarHBondContact O-CA 3.49Å; P227-Q230 PolarHBondContact O-N 2.72Å; Y228-Q230 VanDerWaalsContact C-N 3.3Å; Y228-Q230 PolarHBondContact O-N 3.38Å; Q230-K232 VanDerWaalsContact C-N 3.33Å
231	D	98.7	Very high	98.3	Very high	8 Å²	8	75.3 Å²	75.3	4%	0.043	36%	0.355	C	S	.	.	S	Bend	trans	-88.1	-0.2	177.5	-161.3	52.3	0	0	0	113.3	V176 T177 C187 Y224 T226 P227 Y228 H233	V176-D231 WeakPolarHBondContact CA-O 3.48Å; V176-D231 HydrophobicContact CB-CB 4.27Å; V176-D231 HydrophobicContact CG1-CB 4.22Å; T177-D231 WeakPolarHBondContact CB-OD2 3.32Å; T177-D231 PolarHBondContact N-OD2 3.21Å; T177-D231 PolarHBondContact OG1-OD2 3.31Å; C187-D231 HydrophobicContact CB-CB 4.33Å; C187-D231 WeakPolarHBondContact CB-OD2 3.48Å; Y224-D231 HydrophobicContact CE1-CB 4.28Å; Y224-D231 PolarHBondContact OH-OD1 2.79Å; T226-D231 HydrophobicContact CG2-CB 4.01Å; P227-D231 PolarHBondContact O-N 3.44Å; Y228-D231 PolarHBondContact O-N 2.88Å; D231-H233 PolarHBondContact O-CE1 3.09Å; D231-H233 PolarHBondContact O-N 3.33Å; D231-H233 PolarHBondContact O-ND1 3.1Å; D231-H233 IonicContact OD1-CE1 3.2Å
232	K	98.7	Very high	98.4	Very high	41 Å²	41	77 Å²	77	18%	0.178	36%	0.361	C	S	.	.			trans	-68.7	117.6	179.2	-76.6	-72.1	-176.2	-178.3	0	111.4	D146 G174 V176 Y228 Q230	D146-K232 IonicContact OD1-NZ 2.73Å; D146-K232 PolarHBondContact OD1-NZ 2.83Å; D146-K232 IonicContact OD2-NZ 3.17Å; D146-K232 PolarHBondContact OD2-NZ 3.22Å; G174-K232 VanDerWaalsContact C-CD 3.45Å; G174-K232 VanDerWaalsContact O-CD 3.3Å; G174-K232 WeakPolarHBondContact O-CD 3.25Å; G174-K232 PolarHBondContact O-NZ 3.21Å; V176-K232 HydrophobicContact CG1-CD 3.69Å; V176-K232 HydrophobicContact CG1-CG 3.98Å; Y228-K232 WeakPolarHBondContact OH-CE 3.44Å; Y228-K232 PolarHBondContact OH-NZ 2.97Å; Q230-K232 VanDerWaalsContact C-N 3.33Å
233	H	98.8	Very high	98.4	Very high	41 Å²	41	70.1 Å²	70.1	19%	0.19	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-98.6	119.7	172.7	-66.2	69.1	0	0	0	109.3	L142 W170 G174 I175 D231	L142-H233 HydrophobicContact CD2-CB 3.71Å; W170-H233 PolarHBondContact NE1-O 3.15Å; W170-H233 VanDerWaalsContact NE1-O 3.1Å; G174-H233 VanDerWaalsContact CA-O 3.25Å; G174-H233 WeakPolarHBondContact CA-O 3.42Å; I175-H233 PolarHBondContact N-O 3.28Å; I175-H233 PolarHBondContact O-N 3.03Å; D231-H233 PolarHBondContact O-CE1 3.09Å; D231-H233 PolarHBondContact O-N 3.33Å; D231-H233 PolarHBondContact O-ND1 3.1Å; D231-H233 IonicContact OD1-CE1 3.2Å
234	R	98.7	Very high	98.6	Very high	145 Å²	145	63.4 Å²	63.4	55%	0.547	31%	0.308	S	S	.	.			trans	-107.4	140.1	-175.3	-66.6	178.2	71.5	159.4	0.7	111.7	W170 V171 K172	W170-R234 WeakPolarHBondContact O-CA 3.46Å; V171-R234 PolarHBondContact O-NE 2.96Å; V171-R234 PolarHBondContact O-NH2 2.88Å; K172-R234 VanDerWaalsContact C-NH2 3.3Å; K172-R234 PolarHBondContact O-NH2 2.92Å
235	G	98.6	Very high	98.6	Very high	7 Å²	7	62.9 Å²	62.9	7%	0.072	31%	0.308	C	S	.	.			trans	-72.1	159.4	161.9	0	0	0	0	0	110.6	W170 V171	W170-G235 VanDerWaalsContact CE2-CA 3.49Å; W170-G235 PolarHBondContact O-N 3.11Å; V171-G235 WeakPolarHBondContact CA-O 3.47Å
236	K	98.7	Very high	98.7	Very high	136 Å²	136	59.7 Å²	59.7	59%	0.591	29%	0.294	S	S	*	.	S	Bend	trans	-96.4	-31.2	170.9	-174.1	179.8	175	-172.1	0	112	R338 I339 N340	K236-R338 WeakPolarHBondContact CA-O 3.46Å; K236-R338 WeakPolarHBondContact CB-O 3.3Å; K236-R338 PolarHBondContact N-O 2.71Å; K236-I339 WeakPolarHBondContact CB-O 3.44Å; K236-N340 VanDerWaalsContact CD-OXT 3.28Å; K236-N340 WeakPolarHBondContact CD-OXT 3.4Å; K236-N340 WeakPolarHBondContact CE-OXT 3.47Å; K236-N340 PolarHBondContact NZ-OXT 3.44Å
237	S	98.7	Very high	98.7	Very high	41 Å²	41	57.2 Å²	57.2	29%	0.287	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.7	178.7	60.5	0	0	0	0	111.1	V171 G337 R338	V171-S237 VanDerWaalsContact CG2-C 3.49Å; S237-G337 CarbonylContact O-C 3.43Å; S237-G337 WeakPolarHBondContact O-CA 3.37Å; S237-R338 PolarHBondContact N-O 2.96Å; S237-R338 VanDerWaalsContact N-O 3.1Å; S237-R338 PolarHBondContact O-N 3.04Å
238	S	98.8	Very high	98.7	Very high	14 Å²	14	54.3 Å²	54.3	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.8	174.5	49.1	0	0	0	0	108.5	R77 D168 A336	R77-S238 PolarHBondContact NH1-OG 3.03Å; D168-S238 PolarHBondContact OD1-OG 3.41Å; D168-S238 VanDerWaalsContact OD1-OG 3.13Å; S238-A336 WeakPolarHBondContact CA-O 3.43Å
239	Y	98.9	Very high	98.7	Very high	13 Å²	13	53.8 Å²	53.8	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	156.4	-173	47	-99	0	0	0	111.4	P78 V80 R129 E251 A336 R338	P78-Y239 WeakPolarHBondContact O-CA 3.36Å; P78-Y239 WeakPolarHBondContact O-CB 3.33Å; V80-Y239 HydrophobicContact CB-CD2 4.4Å; V80-Y239 HydrophobicContact CG1-CD2 3.9Å; V80-Y239 HydrophobicContact CG1-CE2 4.4Å; V80-Y239 HydrophobicContact CG1-CG 3.99Å; V80-Y239 HydrophobicContact CG2-CD2 3.58Å; V80-Y239 HydrophobicContact CG2-CE2 3.75Å; V80-Y239 HydrophobicContact CG2-CG 4.48Å; R129-Y239 PolarHBondContact NH1-OH 3.25Å; Y239-E251 PolarHBondContact OH-OE1 3.18Å; Y239-A336 HydrophobicContact CD2-CB 4.31Å; Y239-A336 HydrophobicContact CE2-CB 3.73Å; Y239-A336 PolarHBondContact N-O 3.49Å; Y239-A336 PolarHBondContact O-N 3.19Å; Y239-A336 VanDerWaalsContact O-O 3.11Å; Y239-R338 HydrophobicContact CE1-CG 4.01Å; Y239-R338 WeakPolarHBondContact OH-CD 3.48Å; Y239-R338 WeakPolarHBondContact OH-CG 3.29Å
240	N	98.9	Very high	98.7	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	151.6	167	-52.3	-49.8	0	0	0	108.8	R73 R77 P78 T79 V80	R73-N240 PolarHBondContact NH1-OD1 3.28Å; R73-N240 VanDerWaalsContact NH1-OD1 3.09Å; R73-N240 PolarHBondContact NH2-OD1 2.88Å; R73-N240 PolarHBondContact O-ND2 3.13Å; R77-N240 VanDerWaalsContact CD-OD1 3.29Å; R77-N240 WeakPolarHBondContact CD-OD1 3.4Å; R77-N240 WeakPolarHBondContact CG-ND2 3.49Å; P78-N240 PolarHBondContact O-N 3.34Å; T79-N240 CarbonylContact C-O 3.22Å; T79-N240 WeakPolarHBondContact CA-O 3.27Å; T79-N240 HydrophobicContact CG2-CB 4.14Å; T79-N240 PolarHBondContact OG1-ND2 3.34Å; V80-N240 PolarHBondContact N-O 3.16Å
241	V	98.8	Very high	98.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.9	162.6	-172.9	0	0	0	0	107.6	V80 A247 I248 E251 V334 A336	V80-V241 HydrophobicContact CG2-CG2 4.2Å; V241-A247 HydrophobicContact CG1-CB 4.15Å; V241-I248 HydrophobicContact CG1-CG1 3.83Å; V241-E251 HydrophobicContact CG1-CB 4.34Å; V241-E251 HydrophobicContact CG2-CB 4.27Å; V241-E251 HydrophobicContact CG2-CG 3.85Å; V241-V334 HydrophobicContact CB-CB 4Å; V241-V334 HydrophobicContact CB-CG1 3.79Å; V241-V334 HydrophobicContact CG2-CB 4.47Å; V241-V334 HydrophobicContact CG2-CG1 3.78Å; V241-V334 PolarHBondContact N-O 3.02Å; V241-A336 HydrophobicContact CG2-CB 4.4Å
242	K	98.6	Very high	98.8	Very high	92 Å²	92	42.2 Å²	42.2	40%	0.4	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-55.5	141.2	177	-174	177.3	178.4	-177.7	0	110	T79 V80 D81 D244 A247	T79-K242 HydrophobicContact CG2-CB 4.05Å; V80-K242 PolarHBondContact O-N 2.96Å; D81-K242 HydrophobicContact CB-CB 4.11Å; D81-K242 HydrophobicContact CB-CD 3.75Å; K242-D244 HydrophobicContact CB-CB 4.48Å; K242-D244 HydrophobicContact CD-CB 4.24Å; K242-D244 HydrophobicContact CG-CB 4.12Å; K242-D244 PolarHBondContact O-N 2.91Å; K242-A247 HydrophobicContact CB-CB 4.25Å
243	N	98.6	Very high	98.8	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	19%	0.19	S	C	.	.	S	Bend	trans	-67.9	77.8	168.3	-174.4	-2.6	0	0	0	109	D326 E331 S332	N243-D326 PolarHBondContact ND2-OD2 2.84Å; N243-E331 VanDerWaalsContact OD1-CB 3.25Å; N243-E331 WeakPolarHBondContact OD1-CB 3.35Å; N243-S332 PolarHBondContact ND2-OG 3.46Å
244	D	98.7	Very high	98.8	Very high	56 Å²	56	42.7 Å²	42.7	30%	0.299	20%	0.198	S	C	.	.			trans	-152.9	123.3	179.9	172.6	75.7	0	0	0	107.6	K242 K246 A247 I248	K242-D244 HydrophobicContact CB-CB 4.48Å; K242-D244 HydrophobicContact CD-CB 4.24Å; K242-D244 HydrophobicContact CG-CB 4.12Å; K242-D244 PolarHBondContact O-N 2.91Å; D244-K246 PolarHBondContact O-N 3.39Å; D244-K246 WeakPolarHBondContact OD2-CB 3.41Å; D244-K246 PolarHBondContact OD2-N 3.03Å; D244-A247 HydrophobicContact CB-CB 3.9Å; D244-A247 WeakPolarHBondContact O-CB 3.41Å; D244-A247 PolarHBondContact O-N 3.06Å; D244-A247 VanDerWaalsContact O-N 3.13Å; D244-A247 PolarHBondContact OD2-N 3.1Å; D244-I248 WeakPolarHBondContact O-CG1 3.35Å; D244-I248 PolarHBondContact O-N 2.98Å; D244-I248 VanDerWaalsContact O-N 3.07Å
245	E	98.8	Very high	98.8	Very high	57 Å²	57	37.4 Å²	37.4	27%	0.266	18%	0.179	S	C	.	.	H	α-helix	trans	-52.7	-44.2	-176.5	-173.2	-166.7	149	0	0	112.1	I248 Q249 W303 R323 G324	E245-I248 PolarHBondContact O-N 2.65Å; E245-Q249 VanDerWaalsContact O-CG 3.31Å; E245-Q249 WeakPolarHBondContact O-CG 3.43Å; E245-Q249 PolarHBondContact O-N 3.04Å; E245-W303 HydrophobicContact CG-CH2 4.42Å; E245-W303 HydrophobicContact CG-CZ2 4.11Å; E245-R323 HydrophobicContact CG-CG 3.74Å; E245-R323 IonicContact OE1-CZ 3.2Å; E245-R323 IonicContact OE1-NH1 2.73Å; E245-R323 PolarHBondContact OE1-NH1 2.67Å; E245-G324 WeakPolarHBondContact OE2-CA 3.17Å
246	K	98.7	Very high	98.8	Very high	132 Å²	132	37.1 Å²	37.1	57%	0.574	18%	0.175	S	C	*	.	H	α-helix	trans	-70.2	-39.6	-177.9	-67.7	174.2	-179.5	155.6	0	111.4	I89 D244 I248 Q249 K250	I89-K246 HydrophobicContact CD1-CB 3.92Å; I89-K246 HydrophobicContact CD1-CG 4.02Å; D244-K246 PolarHBondContact O-N 3.39Å; D244-K246 WeakPolarHBondContact OD2-CB 3.41Å; D244-K246 PolarHBondContact OD2-N 3.03Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3Å; K246-Q249 PolarHBondContact O-N 3.41Å; K246-K250 WeakPolarHBondContact O-CB 3.4Å; K246-K250 VanDerWaalsContact O-CG 3.26Å; K246-K250 WeakPolarHBondContact O-CG 3.35Å; K246-K250 PolarHBondContact O-N 2.87Å
247	A	98.8	Very high	98.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-45.2	175.2	0	0	0	0	0	111.1	D81 V241 K242 D244 K250 E251	D81-A247 VanDerWaalsContact O-CB 3.28Å; D81-A247 WeakPolarHBondContact O-CB 3.39Å; V241-A247 HydrophobicContact CG1-CB 4.15Å; K242-A247 HydrophobicContact CB-CB 4.25Å; D244-A247 HydrophobicContact CB-CB 3.9Å; D244-A247 WeakPolarHBondContact O-CB 3.41Å; D244-A247 PolarHBondContact O-N 3.06Å; D244-A247 VanDerWaalsContact O-N 3.13Å; D244-A247 PolarHBondContact OD2-N 3.1Å; A247-K250 PolarHBondContact O-N 2.84Å; A247-E251 WeakPolarHBondContact O-CB 3.4Å; A247-E251 PolarHBondContact O-N 2.91Å
248	I	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-45.4	178	-61.7	161.7	0	0	0	110.8	V241 D244 E245 K246 K250 E251 I252 W303 E331 V334	V241-I248 HydrophobicContact CG1-CG1 3.83Å; D244-I248 WeakPolarHBondContact O-CG1 3.35Å; D244-I248 PolarHBondContact O-N 2.98Å; D244-I248 VanDerWaalsContact O-N 3.07Å; E245-I248 PolarHBondContact O-N 2.65Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3Å; I248-K250 PolarHBondContact O-N 3.29Å; I248-E251 PolarHBondContact O-N 2.92Å; I248-I252 HydrophobicContact CG2-CD1 3.79Å; I248-I252 WeakPolarHBondContact O-CG1 3.22Å; I248-I252 PolarHBondContact O-N 2.81Å; I248-W303 HydrophobicContact CB-CH2 3.77Å; I248-W303 HydrophobicContact CB-CZ2 4.16Å; I248-W303 HydrophobicContact CD1-CZ2 4.38Å; I248-W303 HydrophobicContact CG2-CH2 3.45Å; I248-W303 VanDerWaalsContact CG2-CH2 3.45Å; I248-W303 HydrophobicContact CG2-CZ2 3.92Å; I248-W303 HydrophobicContact CG2-CZ3 3.89Å; I248-E331 HydrophobicContact CD1-CB 3.7Å; I248-E331 HydrophobicContact CD1-CG 3.7Å; I248-V334 HydrophobicContact CD1-CG2 3.68Å; I248-V334 HydrophobicContact CG1-CB 4.34Å; I248-V334 HydrophobicContact CG1-CG1 4.39Å; I248-V334 HydrophobicContact CG1-CG2 3.96Å; I248-V334 HydrophobicContact CG2-CG1 4.46Å; I248-V334 HydrophobicContact CG2-CG2 4.46Å
249	Q	98.9	Very high	98.8	Very high	12 Å²	12	28 Å²	28	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-48.1	175.5	-74	174.8	-45.2	0	0	111.9	I89 E245 K246 E251 I252 M253 W294 W303	I89-Q249 HydrophobicContact CD1-CB 4.15Å; I89-Q249 HydrophobicContact CG2-CB 3.8Å; I89-Q249 HydrophobicContact CG2-CG 4.21Å; E245-Q249 VanDerWaalsContact O-CG 3.31Å; E245-Q249 WeakPolarHBondContact O-CG 3.43Å; E245-Q249 PolarHBondContact O-N 3.04Å; K246-Q249 PolarHBondContact O-N 3.41Å; Q249-E251 PolarHBondContact O-N 3.37Å; Q249-I252 PolarHBondContact O-N 3.1Å; Q249-M253 WeakPolarHBondContact O-CG 3.24Å; Q249-M253 PolarHBondContact O-N 3.17Å; Q249-W294 HydrophobicContact CB-CE3 4.35Å; Q249-W294 HydrophobicContact CB-CH2 3.71Å; Q249-W294 HydrophobicContact CB-CZ2 3.95Å; Q249-W294 HydrophobicContact CB-CZ3 3.97Å; Q249-W294 HydrophobicContact CG-CD2 3.84Å; Q249-W294 HydrophobicContact CG-CE3 3.95Å; Q249-W294 HydrophobicContact CG-CG 4.39Å; Q249-W294 HydrophobicContact CG-CH2 4.09Å; Q249-W294 HydrophobicContact CG-CZ2 4.04Å; Q249-W294 HydrophobicContact CG-CZ3 4.09Å; Q249-W294 VanDerWaalsContact O-CH2 3.24Å; Q249-W294 WeakPolarHBondContact O-CH2 3.35Å; Q249-W294 WeakPolarHBondContact O-CZ3 3.28Å; Q249-W303 HydrophobicContact CG-CH2 3.69Å; Q249-W303 HydrophobicContact CG-CZ3 3.89Å
250	K	98.9	Very high	98.8	Very high	20 Å²	20	27.4 Å²	27.4	9%	0.087	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-46.8	177.1	-75.8	179.1	-173	-172.3	0	111.3	H82 W85 V87 I89 K246 A247 I248 I252 M253 K254	H82-K250 HydrophobicContact CB-CB 3.91Å; H82-K250 HydrophobicContact CB-CD 3.65Å; H82-K250 HydrophobicContact CB-CG 4.44Å; H82-K250 WeakPolarHBondContact O-CD 3.04Å; H82-K250 PolarHBondContact O-NZ 3.1Å; W85-K250 HydrophobicContact CE3-CB 3.93Å; W85-K250 HydrophobicContact CE3-CD 4.18Å; W85-K250 HydrophobicContact CE3-CG 4.07Å; W85-K250 HydrophobicContact CZ3-CB 3.74Å; W85-K250 HydrophobicContact CZ3-CG 4.06Å; W85-K250 WeakPolarHBondContact CZ3-O 3.48Å; W85-K250 WeakPolarHBondContact O-CE 3.44Å; W85-K250 PolarHBondContact O-NZ 3.13Å; V87-K250 HydrophobicContact CG1-CD 4.35Å; V87-K250 HydrophobicContact CG1-CG 4.1Å; I89-K250 HydrophobicContact CD1-CG 3.98Å; I89-K250 HydrophobicContact CG1-CG 4.32Å; K246-K250 WeakPolarHBondContact O-CB 3.4Å; K246-K250 VanDerWaalsContact O-CG 3.26Å; K246-K250 WeakPolarHBondContact O-CG 3.35Å; K246-K250 PolarHBondContact O-N 2.87Å; A247-K250 PolarHBondContact O-N 2.84Å; I248-K250 PolarHBondContact O-N 3.29Å; K250-I252 PolarHBondContact O-N 3.46Å; K250-M253 HydrophobicContact CG-CE 4.16Å; K250-K254 VanDerWaalsContact O-CB 3.27Å; K250-K254 WeakPolarHBondContact O-CB 3.47Å; K250-K254 PolarHBondContact O-N 3.18Å
251	E	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.4	-52.1	176.8	176.8	61.8	-155.6	0	0	111.2	H82 R129 Y239 V241 A247 I248 Q249 K254 Y255 V258	H82-E251 IonicContact CD2-OE2 2.72Å; H82-E251 IonicContact CE1-OE2 3.86Å; H82-E251 PolarHBondContact CE1-OE2 2.81Å; H82-E251 VanDerWaalsContact CE1-OE2 3.27Å; H82-E251 IonicContact NE2-OE2 3.36Å; H82-E251 PolarHBondContact NE2-OE2 3.36Å; R129-E251 IonicContact CZ-OE1 2.67Å; R129-E251 IonicContact NH1-OE1 3.16Å; R129-E251 PolarHBondContact NH1-OE1 2.78Å; R129-E251 IonicContact NH2-OE1 3.87Å; R129-E251 PolarHBondContact NH2-OE1 2.56Å; Y239-E251 PolarHBondContact OH-OE1 3.18Å; V241-E251 HydrophobicContact CG1-CB 4.34Å; V241-E251 HydrophobicContact CG2-CB 4.27Å; V241-E251 HydrophobicContact CG2-CG 3.85Å; A247-E251 WeakPolarHBondContact O-CB 3.4Å; A247-E251 PolarHBondContact O-N 2.91Å; I248-E251 PolarHBondContact O-N 2.92Å; Q249-E251 PolarHBondContact O-N 3.37Å; E251-K254 PolarHBondContact O-N 2.95Å; E251-Y255 PolarHBondContact O-N 2.96Å; E251-Y255 WeakPolarHBondContact OE2-CD2 3.44Å; E251-V258 HydrophobicContact CG-CG1 3.56Å
252	I	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	-63.6	-50.4	-176.4	-68.8	166.6	0	0	0	110.9	F93 W99 I248 Q249 K250 K254 G256 V258 I291 W294 W303	F93-I252 HydrophobicContact CD1-CG2 4.02Å; F93-I252 HydrophobicContact CE1-CG2 3.79Å; W99-I252 WeakPolarHBondContact CH2-O 3.39Å; I248-I252 HydrophobicContact CG2-CD1 3.79Å; I248-I252 WeakPolarHBondContact O-CG1 3.22Å; I248-I252 PolarHBondContact O-N 2.81Å; Q249-I252 PolarHBondContact O-N 3.1Å; K250-I252 PolarHBondContact O-N 3.46Å; I252-K254 PolarHBondContact O-N 2.98Å; I252-G256 WeakPolarHBondContact CA-O 3.14Å; I252-G256 VanDerWaalsContact O-CA 3.31Å; I252-G256 WeakPolarHBondContact O-CA 3.14Å; I252-G256 PolarHBondContact O-N 2.84Å; I252-V258 HydrophobicContact CD1-CG2 3.84Å; I252-V258 HydrophobicContact CG1-CB 4.44Å; I252-V258 HydrophobicContact CG1-CG1 3.91Å; I252-V258 HydrophobicContact CG1-CG2 3.77Å; I252-I291 HydrophobicContact CD1-CB 4.07Å; I252-I291 HydrophobicContact CD1-CG2 3.63Å; I252-W294 HydrophobicContact CB-CZ3 3.99Å; I252-W294 HydrophobicContact CG2-CZ3 3.93Å; I252-W303 HydrophobicContact CD1-CZ3 4.15Å
253	M	98.7	Very high	98.8	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-68.4	-25.5	-176.9	67.7	-176.6	-170.4	0	0	113.2	W85 V87 I89 F93 K98 W99 Q249 K250 W294	W85-M253 HydrophobicContact CH2-CE 3.54Å; W85-M253 HydrophobicContact CH2-CG 4.21Å; W85-M253 HydrophobicContact CZ2-CE 4.22Å; W85-M253 HydrophobicContact CZ3-CE 3.91Å; V87-M253 HydrophobicContact CB-CE 4.22Å; V87-M253 HydrophobicContact CG1-CE 3.31Å; V87-M253 HydrophobicContact CG2-CE 3.83Å; I89-M253 HydrophobicContact CG1-CE 4.01Å; I89-M253 HydrophobicContact CG2-SD 4.48Å; F93-M253 HydrophobicContact CD2-CB 3.89Å; F93-M253 HydrophobicContact CE1-CB 4.34Å; F93-M253 HydrophobicContact CE2-CB 3.58Å; F93-M253 HydrophobicContact CG-CB 4.39Å; F93-M253 HydrophobicContact CZ-CB 3.84Å; K98-M253 PolarHBondContact NZ-O 3.23Å; W99-M253 WeakPolarHBondContact CH2-O 3.42Å; Q249-M253 WeakPolarHBondContact O-CG 3.24Å; Q249-M253 PolarHBondContact O-N 3.17Å; K250-M253 HydrophobicContact CG-CE 4.16Å; M253-W294 HydrophobicContact CB-CH2 3.81Å; M253-W294 HydrophobicContact CG-CH2 4.23Å; M253-W294 HydrophobicContact SD-CH2 4.2Å
254	K	98.6	Very high	98.8	Very high	83 Å²	83	21.3 Å²	21.3	36%	0.361	10%	0.101	S	C	.	.	H	α-helix	trans	-86.1	-49	179.3	-168.6	164.6	179.7	170.2	0	112.6	W85 K250 E251 I252	W85-K254 HydrophobicContact CD2-CD 4.22Å; W85-K254 HydrophobicContact CE3-CD 3.82Å; W85-K254 HydrophobicContact CH2-CB 3.63Å; W85-K254 HydrophobicContact CH2-CD 3.66Å; W85-K254 HydrophobicContact CH2-CG 3.99Å; W85-K254 HydrophobicContact CZ2-CD 4.03Å; W85-K254 HydrophobicContact CZ3-CB 3.64Å; W85-K254 HydrophobicContact CZ3-CD 3.54Å; W85-K254 HydrophobicContact CZ3-CG 4.14Å; K250-K254 VanDerWaalsContact O-CB 3.27Å; K250-K254 WeakPolarHBondContact O-CB 3.47Å; K250-K254 PolarHBondContact O-N 3.18Å; E251-K254 PolarHBondContact O-N 2.95Å; I252-K254 PolarHBondContact O-N 2.98Å
255	Y	98.8	Very high	98.7	Very high	34 Å²	34	21.5 Å²	21.5	13%	0.133	10%	0.098	C	C	.	.	H	α-helix	trans	-113.5	-7.8	-165.3	-59.1	-67.1	0	0	0	114.3	H82 Q133 E251 R338	H82-Y255 AromaticContact CE1-CE2 3.66Å; Q133-Y255 PolarHBondContact NE2-O 3.25Å; Q133-Y255 VanDerWaalsContact NE2-O 3.13Å; E251-Y255 PolarHBondContact O-N 2.96Å; E251-Y255 WeakPolarHBondContact OE2-CD2 3.44Å; Y255-R338 HydrophobicContact CD1-CG 4.31Å; Y255-R338 PolarHBondContact OH-NH1 3.39Å
256	G	98.8	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.09	C	C	.	.			trans	104.5	-178.5	177.8	0	0	0	0	0	114	R129 I252	R129-G256 PolarHBondContact NH2-O 2.84Å; I252-G256 WeakPolarHBondContact CA-O 3.14Å; I252-G256 VanDerWaalsContact O-CA 3.31Å; I252-G256 WeakPolarHBondContact O-CA 3.14Å; I252-G256 PolarHBondContact O-N 2.84Å
257	P	98.9	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.			trans	-48.2	150.2	-179.3	-32.3	39.8	0	0	0	114.7	I105 D128 R129 R290 I291 I292	I105-P257 HydrophobicContact CG2-CG 4.17Å; D128-P257 HydrophobicContact CB-CG 4.16Å; D128-P257 WeakPolarHBondContact OD2-CG 3.22Å; R129-P257 PolarHBondContact NE-O 3.27Å; R129-P257 PolarHBondContact NH2-O 3.05Å; P257-R290 HydrophobicContact CB-CG 3.81Å; P257-I291 VanDerWaalsContact CA-O 3.27Å; P257-I291 WeakPolarHBondContact CA-O 3.46Å; P257-I291 WeakPolarHBondContact CB-O 3.49Å; P257-I292 HydrophobicContact CB-CG2 3.99Å; P257-I292 HydrophobicContact CG-CB 4.24Å; P257-I292 HydrophobicContact CG-CG2 3.91Å
258	V	99	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.3	-179.4	-63.5	0	0	0	0	110.1	R129 E251 I252 R290 I291 V334 A336	R129-V258 VanDerWaalsContact NH2-CG1 3.33Å; E251-V258 HydrophobicContact CG-CG1 3.56Å; I252-V258 HydrophobicContact CD1-CG2 3.84Å; I252-V258 HydrophobicContact CG1-CB 4.44Å; I252-V258 HydrophobicContact CG1-CG1 3.91Å; I252-V258 HydrophobicContact CG1-CG2 3.77Å; V258-R290 CarbonylContact O-C 3.53Å; V258-R290 WeakPolarHBondContact O-CA 3.22Å; V258-I291 HydrophobicContact CG2-CB 3.88Å; V258-I291 HydrophobicContact CG2-CD1 4.4Å; V258-I291 HydrophobicContact CG2-CG1 4.32Å; V258-I291 PolarHBondContact N-O 2.85Å; V258-I291 VanDerWaalsContact N-O 3.11Å; V258-I291 PolarHBondContact O-N 2.98Å; V258-V334 HydrophobicContact CB-CG1 3.81Å; V258-V334 HydrophobicContact CG1-CG1 4.3Å; V258-V334 HydrophobicContact CG2-CG1 3.56Å; V258-A336 HydrophobicContact CB-CB 4.49Å; V258-A336 HydrophobicContact CG1-CB 3.96Å
259	E	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	143.3	167.2	-176	176.7	-142.4	0	0	109.6	G121 A122 L163 W167 I289 V334 T335	G121-E259 WeakPolarHBondContact CA-OE1 3.45Å; A122-E259 PolarHBondContact N-OE1 3.41Å; L163-E259 HydrophobicContact CD2-CG 3.84Å; L163-E259 HydrophobicContact CG-CG 4.04Å; W167-E259 HydrophobicContact CZ2-CB 3.94Å; W167-E259 PolarHBondContact NE1-OE2 2.95Å; E259-I289 WeakPolarHBondContact CA-O 3.47Å; E259-V334 CarbonylContact O-C 3.48Å; E259-V334 WeakPolarHBondContact O-CA 3.42Å; E259-T335 PolarHBondContact N-O 2.85Å; E259-T335 VanDerWaalsContact N-O 3.11Å; E259-T335 PolarHBondContact O-N 3.23Å
260	A	98.9	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156	170.9	0	0	0	0	0	111	A288 I289 I291 I330 V334	A260-A288 WeakPolarHBondContact O-CA 3.37Å; A260-I289 HydrophobicContact CB-CD1 3.77Å; A260-I289 PolarHBondContact N-O 3.02Å; A260-I289 PolarHBondContact O-N 2.96Å; A260-I291 HydrophobicContact CB-CD1 3.66Å; A260-I291 HydrophobicContact CB-CG1 4Å; A260-I330 HydrophobicContact CB-CD1 4.42Å; A260-V334 HydrophobicContact CB-CG2 3.92Å
261	G	98.6	Very high	98.4	Very high	7 Å²	7	12.4 Å²	12.4	7%	0.072	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.7	171.8	0	0	0	0	0	110.4	H287 S329	G261-H287 WeakPolarHBondContact CA-O 3.38Å; G261-S329 VanDerWaalsContact O-O 3.14Å
262	F	98.7	Very high	98.3	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.018	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.9	168.3	78	-68.9	0	0	0	110.7	V264 F268 G286 H287 I289 F319 I321 C328 I330	F262-V264 HydrophobicContact CD2-CG2 4.49Å; F262-V264 HydrophobicContact CE1-CG2 4.22Å; F262-V264 HydrophobicContact CE2-CG2 3.75Å; F262-V264 HydrophobicContact CZ-CG2 3.59Å; F262-F268 HydrophobicContact CE2-CD1 4.38Å; F262-F268 HydrophobicContact CE2-CD2 4.41Å; F262-F268 HydrophobicContact CE2-CE1 4.22Å; F262-F268 HydrophobicContact CE2-CE2 4.25Å; F262-F268 HydrophobicContact CE2-CG 4.46Å; F262-F268 HydrophobicContact CE2-CZ 4.13Å; F262-F268 HydrophobicContact CZ-CD1 4.21Å; F262-F268 AromaticContact CZ-CE1 3.68Å; F262-F268 HydrophobicContact CZ-CE1 3.68Å; F262-F268 HydrophobicContact CZ-CE2 4.24Å; F262-F268 AromaticContact CZ-CZ 3.68Å; F262-F268 HydrophobicContact CZ-CZ 3.68Å; F262-G286 WeakPolarHBondContact O-CA 3.33Å; F262-H287 HydrophobicContact CD1-CB 4.36Å; F262-H287 WeakPolarHBondContact CD1-O 3.45Å; F262-H287 HydrophobicContact CE1-CB 3.85Å; F262-H287 AromaticContact CE1-CD2 3.74Å; F262-H287 HydrophobicContact CZ-CB 4.37Å; F262-H287 PolarHBondContact N-O 3.14Å; F262-H287 PolarHBondContact O-N 2.98Å; F262-I289 HydrophobicContact CD1-CG1 4.12Å; F262-I289 HydrophobicContact CD1-CG2 4.31Å; F262-I289 HydrophobicContact CE1-CG1 4.33Å; F262-I289 HydrophobicContact CE1-CG2 3.75Å; F262-F319 HydrophobicContact CE1-CZ 4.03Å; F262-F319 HydrophobicContact CZ-CE2 4.42Å; F262-F319 HydrophobicContact CZ-CZ 4.06Å; F262-I321 HydrophobicContact CD2-CD1 4.33Å; F262-C328 CarbonylContact C-O 3.01Å; F262-C328 WeakPolarHBondContact CA-O 3.44Å; F262-C328 HydrophobicContact CB-CB 4.34Å; F262-C328 WeakPolarHBondContact CB-O 3Å; F262-C328 HydrophobicContact CD2-CB 4.06Å; F262-I330 HydrophobicContact CB-CB 4.2Å; F262-I330 HydrophobicContact CB-CD1 3.76Å; F262-I330 HydrophobicContact CD1-CD1 4.33Å; F262-I330 HydrophobicContact CG-CD1 4.2Å
263	T	98.6	Very high	98.3	Very high	33 Å²	33	17.3 Å²	17.3	20%	0.202	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.4	175.6	-55	0	0	0	0	109.6	Y265 T283 C328	T263-Y265 HydrophobicContact CG2-CD2 4.16Å; T263-Y265 HydrophobicContact CG2-CE2 3.62Å; T263-T283 WeakPolarHBondContact CG2-OG1 3.43Å; T263-C328 PolarHBondContact N-O 3.24Å; T263-C328 WeakPolarHBondContact O-CB 3.28Å
264	V	98.4	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.8	171.9	176.3	0	0	0	0	108.9	M63 F262 F268 L269 L284 G285 H287	M63-V264 HydrophobicContact SD-CB 3.48Å; M63-V264 WeakPolarHBondContact SD-CB 3.48Å; M63-V264 HydrophobicContact SD-CG1 3.64Å; M63-V264 HydrophobicContact SD-CG2 3.62Å; F262-V264 HydrophobicContact CD2-CG2 4.49Å; F262-V264 HydrophobicContact CE1-CG2 4.22Å; F262-V264 HydrophobicContact CE2-CG2 3.75Å; F262-V264 HydrophobicContact CZ-CG2 3.59Å; V264-F268 HydrophobicContact CG1-CB 4.17Å; V264-F268 HydrophobicContact CG1-CD1 3.96Å; V264-F268 HydrophobicContact CG1-CG 4.46Å; V264-F268 HydrophobicContact CG2-CD1 4.29Å; V264-L269 HydrophobicContact CG1-CD2 4.08Å; V264-L284 HydrophobicContact CG1-CD1 4.35Å; V264-L284 PolarHBondContact O-N 2.85Å; V264-G285 PolarHBondContact N-O 3.14Å; V264-H287 HydrophobicContact CG2-CB 3.48Å; V264-H287 VanDerWaalsContact CG2-CB 3.48Å
265	Y	97.8	Very high	98.3	Very high	60 Å²	60	13.7 Å²	13.7	24%	0.235	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	164.6	170.6	-67.6	-94.3	0	0	0	109.8	T263 D267 F268 H278 E282 C328	T263-Y265 HydrophobicContact CG2-CD2 4.16Å; T263-Y265 HydrophobicContact CG2-CE2 3.62Å; Y265-D267 VanDerWaalsContact C-N 3.27Å; Y265-D267 VanDerWaalsContact CB-OD1 3.28Å; Y265-D267 WeakPolarHBondContact CB-OD1 3.18Å; Y265-D267 PolarHBondContact O-N 2.92Å; Y265-F268 WeakPolarHBondContact O-CB 3.26Å; Y265-F268 PolarHBondContact O-N 3.43Å; Y265-H278 WeakPolarHBondContact CB-ND1 3.16Å; Y265-H278 AromaticContact CD1-CE1 3.35Å; Y265-H278 WeakPolarHBondContact CD1-CE1 3.5Å; Y265-H278 AromaticContact CD1-ND1 3.79Å; Y265-H278 AromaticContact CD1-NE2 3.54Å; Y265-H278 HydrophobicContact CD2-CB 4.18Å; Y265-H278 AromaticContact CD2-CG 3.84Å; Y265-H278 AromaticContact CD2-ND1 3.88Å; Y265-H278 AromaticContact CE1-NE2 3.77Å; Y265-H278 AromaticContact CG-CE1 3.47Å; Y265-H278 VanDerWaalsContact CG-CE1 3.47Å; Y265-H278 AromaticContact CG-CG 3.81Å; Y265-H278 AromaticContact CG-ND1 3.4Å; Y265-H278 AromaticContact CG-NE2 3.95Å; Y265-E282 WeakPolarHBondContact CA-O 3.24Å; Y265-C328 HydrophobicContact CE2-CB 4.41Å
266	E	97.4	Very high	98.3	Very high	22 Å²	22	12.1 Å²	12.1	10%	0.103	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-58.1	-37	-176.3	-69.7	165.5	158.4	0	0	113.4	P28 L56 F268 L269 G281 E282 L284	P28-E266 HydrophobicContact CB-CB 4.1Å; P28-E266 HydrophobicContact CB-CG 4.1Å; P28-E266 HydrophobicContact CG-CB 4.14Å; P28-E266 HydrophobicContact CG-CG 3.81Å; P28-E266 WeakPolarHBondContact CG-OE1 3Å; L56-E266 HydrophobicContact CD2-CG 4.13Å; E266-F268 VanDerWaalsContact C-N 3.34Å; E266-F268 PolarHBondContact O-N 2.92Å; E266-L269 WeakPolarHBondContact O-CB 3.48Å; E266-L269 PolarHBondContact O-N 2.01Å; E266-G281 VanDerWaalsContact OE2-CA 3.26Å; E266-G281 WeakPolarHBondContact OE2-CA 3.46Å; E266-E282 PolarHBondContact N-O 2.96Å; E266-E282 VanDerWaalsContact N-O 3.09Å; E266-E282 PolarHBondContact OE2-N 2.84Å; E266-L284 HydrophobicContact CG-CD1 4.09Å; E266-L284 HydrophobicContact CG-CD2 3.74Å; E266-L284 HydrophobicContact CG-CG 3.88Å
267	D	97.7	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-62.1	-36.9	178.2	58.8	-8.4	0	0	0	113	I33 I37 W45 Y265 L269 N270 Y276 H278 I279 T280	I33-D267 HydrophobicContact CD1-CB 4.2Å; I37-D267 HydrophobicContact CD1-CB 3.93Å; W45-D267 HydrophobicContact CH2-CB 3.98Å; W45-D267 WeakPolarHBondContact CH2-O 2.89Å; W45-D267 HydrophobicContact CZ2-CB 4.11Å; Y265-D267 VanDerWaalsContact C-N 3.27Å; Y265-D267 VanDerWaalsContact CB-OD1 3.28Å; Y265-D267 WeakPolarHBondContact CB-OD1 3.18Å; Y265-D267 PolarHBondContact O-N 2.92Å; D267-L269 PolarHBondContact O-N 3.5Å; D267-L269 VanDerWaalsContact O-N 3.11Å; D267-N270 PolarHBondContact O-N 3.33Å; D267-N270 VanDerWaalsContact O-N 3.11Å; D267-Y276 PolarHBondContact OD1-OH 2.99Å; D267-Y276 VanDerWaalsContact OD1-OH 3.1Å; D267-H278 IonicContact OD1-ND1 3.01Å; D267-H278 PolarHBondContact OD1-ND1 3.26Å; D267-H278 IonicContact OD2-ND1 3.08Å; D267-H278 PolarHBondContact OD2-ND1 3.46Å; D267-H278 VanDerWaalsContact OD2-ND1 3.15Å; D267-I279 PolarHBondContact OD2-N 3.35Å; D267-T280 HydrophobicContact CB-CG2 4.38Å; D267-T280 VanDerWaalsContact CB-O 3.26Å; D267-T280 WeakPolarHBondContact CB-O 3.34Å; D267-T280 PolarHBondContact OD2-N 2.73Å; D267-T280 VanDerWaalsContact OD2-O 3.12Å
268	F	98.2	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.5	179	-173.4	-106	0	0	0	113.6	F262 V264 Y265 E266 N270 Y271 Y276 W309 W313 F319	F262-F268 HydrophobicContact CE2-CD1 4.38Å; F262-F268 HydrophobicContact CE2-CD2 4.41Å; F262-F268 HydrophobicContact CE2-CE1 4.22Å; F262-F268 HydrophobicContact CE2-CE2 4.25Å; F262-F268 HydrophobicContact CE2-CG 4.46Å; F262-F268 HydrophobicContact CE2-CZ 4.13Å; F262-F268 HydrophobicContact CZ-CD1 4.21Å; F262-F268 AromaticContact CZ-CE1 3.68Å; F262-F268 HydrophobicContact CZ-CE1 3.68Å; F262-F268 HydrophobicContact CZ-CE2 4.24Å; F262-F268 AromaticContact CZ-CZ 3.68Å; F262-F268 HydrophobicContact CZ-CZ 3.68Å; V264-F268 HydrophobicContact CG1-CB 4.17Å; V264-F268 HydrophobicContact CG1-CD1 3.96Å; V264-F268 HydrophobicContact CG1-CG 4.46Å; V264-F268 HydrophobicContact CG2-CD1 4.29Å; Y265-F268 WeakPolarHBondContact O-CB 3.26Å; Y265-F268 PolarHBondContact O-N 3.43Å; E266-F268 VanDerWaalsContact C-N 3.34Å; E266-F268 PolarHBondContact O-N 2.92Å; F268-N270 PolarHBondContact O-N 2.98Å; F268-N270 VanDerWaalsContact O-N 3.14Å; F268-Y271 VanDerWaalsContact O-CB 3.27Å; F268-Y271 WeakPolarHBondContact O-CB 3.39Å; F268-Y271 PolarHBondContact O-N 3.2Å; F268-Y276 HydrophobicContact CB-CE1 4.45Å; F268-Y276 HydrophobicContact CB-CE2 3.87Å; F268-Y276 AromaticContact CD2-CD1 3.66Å; F268-Y276 HydrophobicContact CD2-CD1 3.66Å; F268-Y276 AromaticContact CD2-CD2 3.74Å; F268-Y276 HydrophobicContact CD2-CD2 3.74Å; F268-Y276 AromaticContact CD2-CE1 3.63Å; F268-Y276 HydrophobicContact CD2-CE1 3.63Å; F268-Y276 AromaticContact CD2-CE2 3.7Å; F268-Y276 HydrophobicContact CD2-CE2 3.7Å; F268-Y276 AromaticContact CD2-CG 3.72Å; F268-Y276 HydrophobicContact CD2-CG 3.72Å; F268-Y276 AromaticContact CD2-CZ 3.66Å; F268-Y276 AromaticContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CD2 4.5Å; F268-Y276 HydrophobicContact CE2-CE1 4.31Å; F268-Y276 HydrophobicContact CE2-CG 4.09Å; F268-Y276 HydrophobicContact CG-CE1 4.39Å; F268-Y276 HydrophobicContact CG-CE2 4.29Å; F268-W309 HydrophobicContact CD1-CH2 4.29Å; F268-W309 HydrophobicContact CD1-CZ3 4.3Å; F268-W309 AromaticContact CE1-CH2 3.95Å; F268-W309 HydrophobicContact CE1-CH2 3.95Å; F268-W309 AromaticContact CE1-CZ3 3.78Å; F268-W309 HydrophobicContact CE1-CZ3 3.78Å; F268-W313 HydrophobicContact CD1-CZ2 4.48Å; F268-W313 AromaticContact CE1-CH2 3.93Å; F268-W313 HydrophobicContact CE1-CH2 3.93Å; F268-W313 AromaticContact CE1-CZ2 3.72Å; F268-W313 HydrophobicContact CE1-CZ2 3.72Å; F268-W313 HydrophobicContact CE2-CH2 4.18Å; F268-W313 HydrophobicContact CE2-CZ2 4.38Å; F268-W313 AromaticContact CZ-CH2 3.46Å; F268-W313 HydrophobicContact CZ-CH2 3.46Å; F268-W313 VanDerWaalsContact CZ-CH2 3.46Å; F268-W313 AromaticContact CZ-CZ2 3.68Å; F268-W313 HydrophobicContact CZ-CZ2 3.68Å; F268-F319 AromaticContact CE2-CD2 3.76Å; F268-F319 HydrophobicContact CE2-CD2 3.76Å; F268-F319 AromaticContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CG 4.29Å; F268-F319 HydrophobicContact CE2-CZ 4.47Å; F268-F319 HydrophobicContact CZ-CD1 4.32Å; F268-F319 AromaticContact CZ-CD2 3.94Å; F268-F319 HydrophobicContact CZ-CD2 3.94Å; F268-F319 HydrophobicContact CZ-CE1 4.24Å; F268-F319 AromaticContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CG 4.16Å; F268-F319 HydrophobicContact CZ-CZ 4.01Å
269	L	96.7	Very high	98.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.3	-21.7	-178.9	-56.6	-172.3	0	0	0	113.2	L29 S50 F53 L56 A59 V264 E266 D267 L284	L29-L269 HydrophobicContact CD1-CD1 4.44Å; L29-L269 HydrophobicContact CD2-CB 3.58Å; L29-L269 HydrophobicContact CD2-CD1 4.1Å; L29-L269 HydrophobicContact CG-CD1 4.28Å; S50-L269 WeakPolarHBondContact CB-O 3.45Å; S50-L269 PolarHBondContact OG-O 2.71Å; F53-L269 HydrophobicContact CD2-CB 3.88Å; F53-L269 HydrophobicContact CD2-CD2 3.9Å; F53-L269 HydrophobicContact CD2-CG 4.34Å; F53-L269 HydrophobicContact CE2-CB 4.44Å; F53-L269 HydrophobicContact CE2-CD2 3.9Å; F53-L269 HydrophobicContact CG-CD2 4.48Å; F53-L269 HydrophobicContact CZ-CD2 4.48Å; L56-L269 HydrophobicContact CD2-CD1 4.05Å; A59-L269 HydrophobicContact CB-CD1 3.6Å; A59-L269 HydrophobicContact CB-CD2 3.68Å; A59-L269 HydrophobicContact CB-CG 4.31Å; V264-L269 HydrophobicContact CG1-CD2 4.08Å; E266-L269 WeakPolarHBondContact O-CB 3.48Å; E266-L269 PolarHBondContact O-N 2.01Å; D267-L269 PolarHBondContact O-N 3.5Å; D267-L269 VanDerWaalsContact O-N 3.11Å; L269-L284 HydrophobicContact CD1-CD1 3.54Å; L269-L284 HydrophobicContact CD2-CD1 4.02Å; L269-L284 HydrophobicContact CG-CD1 3.84Å
270	N	97.1	Very high	98	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-97.5	2.8	176.6	-68.4	105.3	0	0	0	113.5	L29 I34 A47 E48 D267 F268 K272	L29-N270 WeakPolarHBondContact CA-OD1 3.48Å; I34-N270 HydrophobicContact CG1-CB 4.18Å; A47-N270 CarbonylContact C-O 3.53Å; A47-N270 WeakPolarHBondContact CA-O 3.34Å; A47-N270 HydrophobicContact CB-CB 4.02Å; E48-N270 PolarHBondContact N-O 2.78Å; E48-N270 WeakPolarHBondContact O-CB 3.47Å; E48-N270 PolarHBondContact O-ND2 3.2Å; D267-N270 PolarHBondContact O-N 3.33Å; D267-N270 VanDerWaalsContact O-N 3.11Å; F268-N270 PolarHBondContact O-N 2.98Å; F268-N270 VanDerWaalsContact O-N 3.14Å; N270-K272 PolarHBondContact O-N 3.21Å
271	Y	98.3	Very high	97.8	Very high	6 Å²	6	19.2 Å²	19.2	2%	0.024	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	128.6	-180	174.7	-91	0	0	0	112.2	W45 F268 G274 Y276 W313 E315 F319 R320	W45-Y271 HydrophobicContact CB-CD2 4.34Å; W45-Y271 HydrophobicContact CB-CE2 4.18Å; W45-Y271 HydrophobicContact CD2-CD2 4.39Å; W45-Y271 AromaticContact CE3-CD2 3.88Å; W45-Y271 HydrophobicContact CE3-CD2 3.88Å; F268-Y271 VanDerWaalsContact O-CB 3.27Å; F268-Y271 WeakPolarHBondContact O-CB 3.39Å; F268-Y271 PolarHBondContact O-N 3.2Å; Y271-G274 WeakPolarHBondContact CE2-O 3.44Å; Y271-G274 PolarHBondContact OH-O 3.42Å; Y271-Y276 HydrophobicContact CD2-CD2 4.44Å; Y271-W313 AromaticContact CD1-CH2 3.77Å; Y271-W313 HydrophobicContact CD1-CH2 3.77Å; Y271-W313 AromaticContact CD1-CZ2 3.96Å; Y271-W313 HydrophobicContact CD1-CZ2 3.96Å; Y271-W313 HydrophobicContact CD1-CZ3 4.4Å; Y271-W313 HydrophobicContact CE1-CH2 4.37Å; Y271-E315 HydrophobicContact CE1-CG 4.27Å; Y271-E315 VanDerWaalsContact OH-CD 3.31Å; Y271-E315 PolarHBondContact OH-OE2 3.3Å; Y271-F319 HydrophobicContact CD1-CB 3.91Å; Y271-F319 HydrophobicContact CE1-CB 3.29Å; Y271-F319 HydrophobicContact CE2-CB 4.47Å; Y271-R320 PolarHBondContact OH-N 3.46Å
272	K	97.7	Very high	97.7	Very high	64 Å²	64	23.2 Å²	23.2	28%	0.278	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-52.2	171.3	-178	49.8	160.7	-158.3	0	113.2	R46 E48 N270 G314	R46-K272 WeakPolarHBondContact O-CB 3.37Å; R46-K272 PolarHBondContact O-N 2.79Å; E48-K272 HydrophobicContact CB-CB 4.27Å; E48-K272 VanDerWaalsContact CD-CE 3.41Å; E48-K272 HydrophobicContact CG-CB 3.89Å; E48-K272 HydrophobicContact CG-CD 4.18Å; E48-K272 HydrophobicContact CG-CG 4.11Å; E48-K272 WeakPolarHBondContact OE1-CD 3.49Å; E48-K272 WeakPolarHBondContact OE1-CE 3.32Å; E48-K272 IonicContact OE1-NZ 3.64Å; E48-K272 PolarHBondContact OE1-NZ 3.28Å; E48-K272 WeakPolarHBondContact OE2-CD 3.26Å; E48-K272 VanDerWaalsContact OE2-CE 3.23Å; E48-K272 WeakPolarHBondContact OE2-CE 3.27Å; E48-K272 WeakPolarHBondContact OE2-CG 3.48Å; E48-K272 IonicContact OE2-NZ 2.82Å; N270-K272 PolarHBondContact O-N 3.21Å; K272-G314 CarbonylContact O-C 3.55Å; K272-G314 WeakPolarHBondContact O-CA 3.43Å
273	S	98.3	Very high	97.6	Very high	39 Å²	39	26.9 Å²	26.9	27%	0.273	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	164.5	-172.3	60.4	0	0	0	0	112.7	W45 R46 E315	W45-S273 CarbonylContact C-O 3.55Å; W45-S273 WeakPolarHBondContact CA-O 3.35Å; W45-S273 VanDerWaalsContact CB-O 3.27Å; W45-S273 WeakPolarHBondContact CB-O 3.26Å; R46-S273 PolarHBondContact N-O 3.3Å; R46-S273 PolarHBondContact O-N 3.09Å; S273-E315 WeakPolarHBondContact CA-OE1 3.23Å; S273-E315 WeakPolarHBondContact CB-OE1 3.24Å
274	G	98.5	Very high	97.5	Very high	11 Å²	11	26.1 Å²	26.1	11%	0.113	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.5	-164.3	-178.1	0	0	0	0	0	112.9	Y271 E315	Y271-G274 WeakPolarHBondContact CE2-O 3.44Å; Y271-G274 PolarHBondContact OH-O 3.42Å; G274-E315 PolarHBondContact N-OE1 3.5Å
275	I	98.7	Very high	97.4	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	102.7	-177.3	-55.7	168.2	0	0	0	108.5	G44 E297 T300 Y302 R320 V322	G44-I275 CarbonylContact C-O 3.53Å; G44-I275 PolarHBondContact O-N 3.11Å; I275-E297 HydrophobicContact CD1-CB 4.1Å; I275-T300 HydrophobicContact CB-CG2 4.41Å; I275-T300 HydrophobicContact CD1-CG2 3.66Å; I275-T300 HydrophobicContact CG2-CG2 4.05Å; I275-Y302 HydrophobicContact CD1-CD1 3.68Å; I275-Y302 HydrophobicContact CD1-CG 4.26Å; I275-Y302 HydrophobicContact CG1-CD1 4.05Å; I275-Y302 HydrophobicContact CG1-CG 4.26Å; I275-R320 HydrophobicContact CG1-CB 4.37Å; I275-V322 HydrophobicContact CG2-CG2 3.87Å
276	Y	98.8	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	136.3	176.5	176.1	-107.1	0	0	0	111.1	W45 D267 F268 Y271 R320 I321 V322	W45-Y276 HydrophobicContact CD2-CD2 4.07Å; W45-Y276 AromaticContact CE2-CD2 3.75Å; W45-Y276 HydrophobicContact CE3-CD2 4.48Å; W45-Y276 HydrophobicContact CG-CD2 4.5Å; W45-Y276 HydrophobicContact CH2-CD2 4.28Å; W45-Y276 HydrophobicContact CH2-CE2 4.26Å; W45-Y276 AromaticContact CZ2-CD2 3.88Å; W45-Y276 HydrophobicContact CZ2-CD2 3.88Å; W45-Y276 AromaticContact CZ2-CE2 3.87Å; W45-Y276 HydrophobicContact CZ2-CE2 3.87Å; W45-Y276 AromaticContact NE1-CD2 3.98Å; D267-Y276 PolarHBondContact OD1-OH 2.99Å; D267-Y276 VanDerWaalsContact OD1-OH 3.1Å; F268-Y276 HydrophobicContact CB-CE1 4.45Å; F268-Y276 HydrophobicContact CB-CE2 3.87Å; F268-Y276 AromaticContact CD2-CD1 3.66Å; F268-Y276 HydrophobicContact CD2-CD1 3.66Å; F268-Y276 AromaticContact CD2-CD2 3.74Å; F268-Y276 HydrophobicContact CD2-CD2 3.74Å; F268-Y276 AromaticContact CD2-CE1 3.63Å; F268-Y276 HydrophobicContact CD2-CE1 3.63Å; F268-Y276 AromaticContact CD2-CE2 3.7Å; F268-Y276 HydrophobicContact CD2-CE2 3.7Å; F268-Y276 AromaticContact CD2-CG 3.72Å; F268-Y276 HydrophobicContact CD2-CG 3.72Å; F268-Y276 AromaticContact CD2-CZ 3.66Å; F268-Y276 AromaticContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CD2 4.5Å; F268-Y276 HydrophobicContact CE2-CE1 4.31Å; F268-Y276 HydrophobicContact CE2-CG 4.09Å; F268-Y276 HydrophobicContact CG-CE1 4.39Å; F268-Y276 HydrophobicContact CG-CE2 4.29Å; Y271-Y276 HydrophobicContact CD2-CD2 4.44Å; Y276-R320 WeakPolarHBondContact CB-O 3.33Å; Y276-R320 PolarHBondContact N-O 3.11Å; Y276-I321 HydrophobicContact CD1-CB 4.46Å; Y276-I321 HydrophobicContact CD1-CD1 3.76Å; Y276-I321 HydrophobicContact CD1-CG1 3.84Å; Y276-I321 HydrophobicContact CE1-CD1 4.14Å; Y276-I321 WeakPolarHBondContact O-CA 3.27Å; Y276-I321 WeakPolarHBondContact O-CG1 3.4Å; Y276-V322 PolarHBondContact O-N 3.31Å
277	K	98.2	Very high	97.5	Very high	52 Å²	52	24.8 Å²	24.8	23%	0.226	15%	0.147	C	C	.	.			trans	-144.1	145.9	161.4	71.3	-174.3	-169.4	-178.1	0	105.7	N42 A43 W45 I279 V322 E327	N42-K277 WeakPolarHBondContact O-CE 3.41Å; N42-K277 PolarHBondContact O-NZ 2.8Å; N42-K277 PolarHBondContact OD1-NZ 3.08Å; A43-K277 VanDerWaalsContact O-CE 3.25Å; A43-K277 WeakPolarHBondContact O-CE 3.3Å; W45-K277 PolarHBondContact NE1-O 3.14Å; K277-I279 HydrophobicContact CG-CG1 4.26Å; K277-V322 HydrophobicContact CB-CG2 3.8Å; K277-E327 HydrophobicContact CB-CG 4.49Å
278	H	98.1	Very high	97.5	Very high	58 Å²	58	24.8 Å²	24.8	27%	0.269	15%	0.147	S	C	.	.			trans	-65.8	136.7	176.6	175	55.3	0	0	0	110.7	Y265 D267 T280 G281 E327	Y265-H278 WeakPolarHBondContact CB-ND1 3.16Å; Y265-H278 AromaticContact CD1-CE1 3.35Å; Y265-H278 WeakPolarHBondContact CD1-CE1 3.5Å; Y265-H278 AromaticContact CD1-ND1 3.79Å; Y265-H278 AromaticContact CD1-NE2 3.54Å; Y265-H278 HydrophobicContact CD2-CB 4.18Å; Y265-H278 AromaticContact CD2-CG 3.84Å; Y265-H278 AromaticContact CD2-ND1 3.88Å; Y265-H278 AromaticContact CE1-NE2 3.77Å; Y265-H278 AromaticContact CG-CE1 3.47Å; Y265-H278 VanDerWaalsContact CG-CE1 3.47Å; Y265-H278 AromaticContact CG-CG 3.81Å; Y265-H278 AromaticContact CG-ND1 3.4Å; Y265-H278 AromaticContact CG-NE2 3.95Å; D267-H278 IonicContact OD1-ND1 3.01Å; D267-H278 PolarHBondContact OD1-ND1 3.26Å; D267-H278 IonicContact OD2-ND1 3.08Å; D267-H278 PolarHBondContact OD2-ND1 3.46Å; D267-H278 VanDerWaalsContact OD2-ND1 3.15Å; H278-T280 PolarHBondContact CE1-O 3.42Å; H278-T280 PolarHBondContact ND1-O 3.45Å; H278-G281 PolarHBondContact CE1-O 3.24Å; H278-E327 PolarHBondContact N-OE1 3.19Å
279	I	96.8	Very high	97.6	Very high	19 Å²	19	24.9 Å²	24.9	10%	0.097	15%	0.147	C	C	.	.			trans	-125.6	-41.9	179.1	-55.5	177.5	0	0	0	110.9	Y36 A43 W45 D267 K277	Y36-I279 HydrophobicContact CE1-CG2 3.75Å; A43-I279 HydrophobicContact CB-CD1 3.45Å; A43-I279 VanDerWaalsContact CB-CD1 3.45Å; W45-I279 HydrophobicContact CZ2-CD1 4.48Å; D267-I279 PolarHBondContact OD2-N 3.35Å; K277-I279 HydrophobicContact CG-CG1 4.26Å
280	T	96.5	Very high	97.7	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.025	15%	0.147	C	C	.	.	S	Bend	trans	-155	167.8	-177.1	-170.2	0	0	0	0	111.7	E24 F26 I33 Y36 D267 H278	E24-T280 PolarHBondContact O-OG1 2.89Å; F26-T280 HydrophobicContact CD2-CG2 4.01Å; F26-T280 HydrophobicContact CE2-CG2 4.42Å; I33-T280 HydrophobicContact CD1-CG2 3.99Å; I33-T280 HydrophobicContact CG1-CG2 3.87Å; Y36-T280 HydrophobicContact CD1-CG2 3.78Å; Y36-T280 HydrophobicContact CE1-CG2 3.75Å; D267-T280 HydrophobicContact CB-CG2 4.38Å; D267-T280 VanDerWaalsContact CB-O 3.26Å; D267-T280 WeakPolarHBondContact CB-O 3.34Å; D267-T280 PolarHBondContact OD2-N 2.73Å; D267-T280 VanDerWaalsContact OD2-O 3.12Å; H278-T280 PolarHBondContact CE1-O 3.42Å; H278-T280 PolarHBondContact ND1-O 3.45Å
281	G	95.7	Very high	97.8	Very high	17 Å²	17	24.8 Å²	24.8	18%	0.175	15%	0.147	C	C	.	.	S	Bend	trans	94.5	158.1	-179.5	0	0	0	0	0	113.5	E266 H278	E266-G281 VanDerWaalsContact OE2-CA 3.26Å; E266-G281 WeakPolarHBondContact OE2-CA 3.46Å; H278-G281 PolarHBondContact CE1-O 3.24Å
282	E	95.7	Very high	97.8	Very high	91 Å²	91	24.5 Å²	24.5	43%	0.425	15%	0.146	S	C	.	.			trans	-84.3	165.8	-179.6	-59	-69.9	161.8	0	0	111.4	K25 Y265 E266	K25-E282 WeakPolarHBondContact CE-OE1 3.36Å; K25-E282 IonicContact NZ-OE1 3.78Å; K25-E282 PolarHBondContact NZ-OE1 3.26Å; Y265-E282 WeakPolarHBondContact CA-O 3.24Å; E266-E282 PolarHBondContact N-O 2.96Å; E266-E282 VanDerWaalsContact N-O 3.09Å; E266-E282 PolarHBondContact OE2-N 2.84Å
283	T	96.8	Very high	97.8	Very high	81 Å²	81	21.5 Å²	21.5	50%	0.497	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.1	175.7	-175.8	0	0	0	0	111.3	T263	T263-T283 WeakPolarHBondContact CG2-OG1 3.43Å
284	L	96.3	Very high	97.9	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.089	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-22.9	176.2	-62.8	178.7	0	0	0	113.7	L56 M63 V264 E266 L269	L56-L284 HydrophobicContact CB-CD2 4.41Å; L56-L284 HydrophobicContact CD1-CD2 3.98Å; L56-L284 HydrophobicContact CD2-CD1 4.03Å; L56-L284 HydrophobicContact CD2-CD2 3.71Å; L56-L284 HydrophobicContact CG-CD2 4.25Å; M63-L284 HydrophobicContact CE-CB 3.7Å; V264-L284 HydrophobicContact CG1-CD1 4.35Å; V264-L284 PolarHBondContact O-N 2.85Å; E266-L284 HydrophobicContact CG-CD1 4.09Å; E266-L284 HydrophobicContact CG-CD2 3.74Å; E266-L284 HydrophobicContact CG-CG 3.88Å; L269-L284 HydrophobicContact CD1-CD1 3.54Å; L269-L284 HydrophobicContact CD2-CD1 4.02Å; L269-L284 HydrophobicContact CG-CD1 3.84Å
285	G	96.4	Very high	97.9	Very high	28 Å²	28	19.2 Å²	19.2	29%	0.289	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143	-170.8	179.5	0	0	0	0	0	113.2	V264	V264-G285 PolarHBondContact N-O 3.14Å
286	G	97.9	Very high	97.9	Very high	25 Å²	25	22.6 Å²	22.6	26%	0.258	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.3	176.8	0	0	0	0	0	112.6	G64 A65 F262	G64-G286 PolarHBondContact N-O 3.07Å; A65-G286 PolarHBondContact N-O 2.98Å; A65-G286 CarbonylContact O-C 3.52Å; A65-G286 VanDerWaalsContact O-CA 3.31Å; A65-G286 WeakPolarHBondContact O-CA 3.44Å; F262-G286 WeakPolarHBondContact O-CA 3.33Å
287	H	98.7	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.9	173.8	-171.6	47.9	0	0	0	110.4	M63 Q111 C117 G261 F262 V264 N307 W309	M63-H287 HydrophobicContact CG-CB 4.21Å; Q111-H287 PolarHBondContact OE1-CE1 3.02Å; C117-H287 WeakPolarHBondContact CB-CE1 3.24Å; C117-H287 WeakPolarHBondContact CB-ND1 3.34Å; C117-H287 PolarHBondContact SG-ND1 2.83Å; C117-H287 VanDerWaalsContact SG-ND1 3.41Å; G261-H287 WeakPolarHBondContact CA-O 3.38Å; F262-H287 HydrophobicContact CD1-CB 4.36Å; F262-H287 WeakPolarHBondContact CD1-O 3.45Å; F262-H287 HydrophobicContact CE1-CB 3.85Å; F262-H287 AromaticContact CE1-CD2 3.74Å; F262-H287 HydrophobicContact CZ-CB 4.37Å; F262-H287 PolarHBondContact N-O 3.14Å; F262-H287 PolarHBondContact O-N 2.98Å; V264-H287 HydrophobicContact CG2-CB 3.48Å; V264-H287 VanDerWaalsContact CG2-CB 3.48Å; H287-N307 PolarHBondContact NE2-OD1 3.04Å; H287-W309 AromaticContact CD2-CZ2 3.91Å; H287-W309 AromaticContact CE1-CE2 3.85Å; H287-W309 AromaticContact CE1-CZ2 3.82Å; H287-W309 AromaticContact CE1-NE1 3.67Å; H287-W309 AromaticContact NE2-CE2 3.7Å; H287-W309 AromaticContact NE2-CZ2 3.6Å; H287-W309 AromaticContact NE2-NE1 3.89Å
288	A	98.7	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.9	179	0	0	0	0	0	110.2	A65 C117 W118 L163 A260	A65-A288 HydrophobicContact CB-CB 3.88Å; C117-A288 HydrophobicContact CB-CB 4.34Å; C117-A288 PolarHBondContact SG-N 2.98Å; C117-A288 VanDerWaalsContact SG-N 3.4Å; W118-A288 HydrophobicContact CB-CB 4.48Å; L163-A288 HydrophobicContact CD1-CB 3.97Å; L163-A288 HydrophobicContact CG-CB 4.34Å; A260-A288 WeakPolarHBondContact O-CA 3.37Å
289	I	98.8	Very high	97.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	176.4	-172.3	56.3	64.4	0	0	0	110.7	E259 A260 F262 I291 I305 F319 I330	E259-I289 WeakPolarHBondContact CA-O 3.47Å; A260-I289 HydrophobicContact CB-CD1 3.77Å; A260-I289 PolarHBondContact N-O 3.02Å; A260-I289 PolarHBondContact O-N 2.96Å; F262-I289 HydrophobicContact CD1-CG1 4.12Å; F262-I289 HydrophobicContact CD1-CG2 4.31Å; F262-I289 HydrophobicContact CE1-CG1 4.33Å; F262-I289 HydrophobicContact CE1-CG2 3.75Å; I289-I291 HydrophobicContact CD1-CD1 4.38Å; I289-I291 HydrophobicContact CD1-CG1 3.54Å; I289-I305 HydrophobicContact CB-CG2 3.53Å; I289-I305 HydrophobicContact CD1-CD1 4.06Å; I289-I305 HydrophobicContact CD1-CG1 4.41Å; I289-I305 HydrophobicContact CD1-CG2 3.6Å; I289-I305 HydrophobicContact CG1-CD1 4.38Å; I289-I305 HydrophobicContact CG1-CG2 3.6Å; I289-I305 HydrophobicContact CG2-CG2 4.2Å; I289-F319 HydrophobicContact CG1-CZ 4.43Å; I289-F319 HydrophobicContact CG2-CE1 4.03Å; I289-F319 HydrophobicContact CG2-CZ 4.15Å; I289-I330 HydrophobicContact CD1-CD1 4Å; I289-I330 HydrophobicContact CG1-CD1 4.2Å
290	R	98.9	Very high	97.7	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.2	174.4	178.2	172	53.1	102.8	1.1	111.6	I105 T107 E124 A125 D128 P257 V258 I292 I305 A306	I105-R290 PolarHBondContact O-NH1 3.25Å; T107-R290 PolarHBondContact O-NH2 3.16Å; T107-R290 VanDerWaalsContact O-NH2 3.11Å; E124-R290 VanDerWaalsContact CB-NE 3.27Å; E124-R290 IonicContact OE2-CZ 2.71Å; E124-R290 IonicContact OE2-NE 2.93Å; E124-R290 PolarHBondContact OE2-NE 3.3Å; E124-R290 IonicContact OE2-NH2 3.55Å; E124-R290 PolarHBondContact OE2-NH2 2.94Å; A125-R290 HydrophobicContact CB-CG 4.23Å; D128-R290 IonicContact OD1-NH1 3.48Å; D128-R290 WeakPolarHBondContact OD2-CD 3.32Å; D128-R290 IonicContact OD2-CZ 2.59Å; D128-R290 IonicContact OD2-NE 2.71Å; D128-R290 IonicContact OD2-NH1 3.93Å; D128-R290 PolarHBondContact OD2-NH1 2.72Å; P257-R290 HydrophobicContact CB-CG 3.81Å; V258-R290 CarbonylContact O-C 3.53Å; V258-R290 WeakPolarHBondContact O-CA 3.22Å; R290-I292 HydrophobicContact CG-CG2 4.02Å; R290-I305 WeakPolarHBondContact O-CA 3.19Å; R290-A306 HydrophobicContact CB-CB 4.5Å; R290-A306 PolarHBondContact N-O 2.75Å; R290-A306 PolarHBondContact O-N 3.27Å
291	I	99	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.9	175.3	-47.8	-178.2	0	0	0	108.7	I252 P257 V258 A260 I289 W303 I305 I330	I252-I291 HydrophobicContact CD1-CB 4.07Å; I252-I291 HydrophobicContact CD1-CG2 3.63Å; P257-I291 VanDerWaalsContact CA-O 3.27Å; P257-I291 WeakPolarHBondContact CA-O 3.46Å; P257-I291 WeakPolarHBondContact CB-O 3.49Å; V258-I291 HydrophobicContact CG2-CB 3.88Å; V258-I291 HydrophobicContact CG2-CD1 4.4Å; V258-I291 HydrophobicContact CG2-CG1 4.32Å; V258-I291 PolarHBondContact N-O 2.85Å; V258-I291 VanDerWaalsContact N-O 3.11Å; V258-I291 PolarHBondContact O-N 2.98Å; A260-I291 HydrophobicContact CB-CD1 3.66Å; A260-I291 HydrophobicContact CB-CG1 4Å; I289-I291 HydrophobicContact CD1-CD1 4.38Å; I289-I291 HydrophobicContact CD1-CG1 3.54Å; I291-W303 HydrophobicContact CG2-CB 4.19Å; I291-W303 HydrophobicContact CG2-CD2 4.23Å; I291-W303 HydrophobicContact CG2-CE3 3.78Å; I291-W303 HydrophobicContact CG2-CG 4.44Å; I291-I305 HydrophobicContact CG1-CD1 4.35Å; I291-I305 HydrophobicContact CG1-CG1 4.18Å; I291-I305 HydrophobicContact CG2-CG1 4.45Å; I291-I330 HydrophobicContact CD1-CD1 4.49Å; I291-I330 HydrophobicContact CD1-CG1 4.4Å
292	I	98.9	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-7.6	-176.3	65.7	154.5	0	0	0	113.6	S95 R96 P257 R290 L304 A306 Y318	S95-I292 WeakPolarHBondContact CB-O 3.49Å; S95-I292 PolarHBondContact N-O 2.93Å; S95-I292 PolarHBondContact OG-O 3.05Å; R96-I292 HydrophobicContact CG-CD1 4.11Å; P257-I292 HydrophobicContact CB-CG2 3.99Å; P257-I292 HydrophobicContact CG-CB 4.24Å; P257-I292 HydrophobicContact CG-CG2 3.91Å; R290-I292 HydrophobicContact CG-CG2 4.02Å; I292-L304 HydrophobicContact CD1-CD2 3.66Å; I292-L304 HydrophobicContact CD1-CG 3.93Å; I292-L304 HydrophobicContact CG1-CB 4.34Å; I292-L304 HydrophobicContact CG1-CD2 3.83Å; I292-L304 HydrophobicContact CG1-CG 3.71Å; I292-L304 WeakPolarHBondContact CG1-O 3.37Å; I292-L304 PolarHBondContact N-O 3.45Å; I292-A306 HydrophobicContact CG2-CB 4.42Å; I292-Y318 HydrophobicContact CD1-CD1 4.09Å; I292-Y318 HydrophobicContact CD1-CE1 3.61Å
293	G	98.9	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-167	-176.6	0	0	0	0	0	114	F93 L304	F93-G293 CarbonylContact O-C 3.19Å; F93-G293 WeakPolarHBondContact O-CA 3.38Å; G293-L304 PolarHBondContact N-O 3.26Å; G293-L304 PolarHBondContact O-N 2.6Å
294	W	98.9	Very high	98.2	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167	179.5	63.4	90.5	0	0	0	111.2	I89 P90 S92 F93 Q249 I252 M253 Y302 W303	I89-W294 HydrophobicContact CG2-CH2 4.31Å; I89-W294 HydrophobicContact CG2-CZ2 3.52Å; P90-W294 HydrophobicContact CG-CZ2 4.07Å; P90-W294 PolarHBondContact O-NE1 3.44Å; S92-W294 CarbonylContact C-O 3.59Å; S92-W294 WeakPolarHBondContact CA-O 3.32Å; F93-W294 HydrophobicContact CB-CD2 3.66Å; F93-W294 VanDerWaalsContact CB-CE2 3.43Å; F93-W294 HydrophobicContact CB-CE3 3.77Å; F93-W294 HydrophobicContact CB-CG 4.47Å; F93-W294 HydrophobicContact CB-CH2 3.56Å; F93-W294 HydrophobicContact CB-CZ2 3.38Å; F93-W294 HydrophobicContact CB-CZ3 3.71Å; F93-W294 HydrophobicContact CD1-CE3 4.15Å; F93-W294 HydrophobicContact CD1-CH2 4.04Å; F93-W294 AromaticContact CD1-CZ3 3.69Å; F93-W294 HydrophobicContact CD1-CZ3 3.69Å; F93-W294 HydrophobicContact CD2-CH2 4.29Å; F93-W294 HydrophobicContact CG-CE3 4.28Å; F93-W294 AromaticContact CG-CH2 3.71Å; F93-W294 HydrophobicContact CG-CH2 3.71Å; F93-W294 HydrophobicContact CG-CZ2 4.01Å; F93-W294 AromaticContact CG-CZ3 3.81Å; F93-W294 HydrophobicContact CG-CZ3 3.81Å; F93-W294 PolarHBondContact N-O 3.17Å; F93-W294 PolarHBondContact O-N 2.87Å; F93-W294 VanDerWaalsContact O-O 3.12Å; Q249-W294 HydrophobicContact CB-CE3 4.35Å; Q249-W294 HydrophobicContact CB-CH2 3.71Å; Q249-W294 HydrophobicContact CB-CZ2 3.95Å; Q249-W294 HydrophobicContact CB-CZ3 3.97Å; Q249-W294 HydrophobicContact CG-CD2 3.84Å; Q249-W294 HydrophobicContact CG-CE3 3.95Å; Q249-W294 HydrophobicContact CG-CG 4.39Å; Q249-W294 HydrophobicContact CG-CH2 4.09Å; Q249-W294 HydrophobicContact CG-CZ2 4.04Å; Q249-W294 HydrophobicContact CG-CZ3 4.09Å; Q249-W294 VanDerWaalsContact O-CH2 3.24Å; Q249-W294 WeakPolarHBondContact O-CH2 3.35Å; Q249-W294 WeakPolarHBondContact O-CZ3 3.28Å; I252-W294 HydrophobicContact CB-CZ3 3.99Å; I252-W294 HydrophobicContact CG2-CZ3 3.93Å; M253-W294 HydrophobicContact CB-CH2 3.81Å; M253-W294 HydrophobicContact CG-CH2 4.23Å; M253-W294 HydrophobicContact SD-CH2 4.2Å; W294-Y302 VanDerWaalsContact CA-O 3.24Å; W294-Y302 WeakPolarHBondContact CA-O 2.83Å; W294-Y302 VanDerWaalsContact CB-O 3.22Å; W294-Y302 WeakPolarHBondContact CB-O 3.39Å; W294-W303 HydrophobicContact CB-CE3 3.89Å; W294-W303 HydrophobicContact CB-CZ3 4.08Å; W294-W303 HydrophobicContact CD2-CZ3 4.48Å; W294-W303 HydrophobicContact CE3-CZ3 4.07Å
295	G	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-168.7	171.2	0	0	0	0	0	112.2	P301 Y302 R323	G295-P301 WeakPolarHBondContact O-CA 3.09Å; G295-Y302 VanDerWaalsContact CA-CZ 3.49Å; G295-Y302 PolarHBondContact N-O 2.95Å; G295-Y302 VanDerWaalsContact N-O 3.1Å; G295-Y302 WeakPolarHBondContact O-CD1 3.48Å; G295-Y302 PolarHBondContact O-N 3.17Å; G295-R323 PolarHBondContact O-NH2 2.94Å
296	V	98.6	Very high	98.4	Very high	77 Å²	77	32.7 Å²	32.7	47%	0.467	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.8	172.5	-178.2	0	0	0	0	107.3	T300	V296-T300 WeakPolarHBondContact CA-O 3.47Å
297	E	98	Very high	98.5	Very high	75 Å²	75	31.5 Å²	31.5	35%	0.35	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.4	171.2	172.4	179.7	-112.7	0	0	108.1	I275 K299 T300 Y302 R320	I275-E297 HydrophobicContact CD1-CB 4.1Å; E297-K299 VanDerWaalsContact C-N 3.26Å; E297-K299 PolarHBondContact O-N 3.35Å; E297-T300 PolarHBondContact N-O 2.69Å; E297-T300 WeakPolarHBondContact O-CA 3.49Å; E297-T300 WeakPolarHBondContact O-CB 3.3Å; E297-T300 PolarHBondContact O-N 3.47Å; E297-Y302 HydrophobicContact CB-CD1 4.39Å; E297-Y302 HydrophobicContact CB-CE1 3.99Å; E297-R320 VanDerWaalsContact CD-NH1 3.27Å; E297-R320 IonicContact OE1-NH1 2.99Å; E297-R320 IonicContact OE2-CZ 2.92Å; E297-R320 IonicContact OE2-NH1 2.76Å; E297-R320 PolarHBondContact OE2-NH1 2.87Å; E297-R320 IonicContact OE2-NH2 3.21Å; E297-R320 PolarHBondContact OE2-NH2 2.67Å
298	N	95.4	Very high	98.4	Very high	147 Å²	147	31.6 Å²	31.6	79%	0.786	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.1	-177.9	-59.4	-30.9	0	0	0	113.3	T300	N298-T300 PolarHBondContact O-N 2.9Å; N298-T300 VanDerWaalsContact O-N 3.14Å
299	K	96.5	Very high	98.3	Very high	200 Å²	200	31.6 Å²	31.6	87%	0.87	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	3.8	-175.7	-53.3	176.6	179.9	176.2	0	115.6	E297	E297-K299 VanDerWaalsContact C-N 3.26Å; E297-K299 PolarHBondContact O-N 3.35Å
300	T	98	Very high	98	Very high	53 Å²	53	31.8 Å²	31.8	33%	0.325	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.3	178.7	-55.7	0	0	0	0	110	I275 V296 E297 N298 V322	I275-T300 HydrophobicContact CB-CG2 4.41Å; I275-T300 HydrophobicContact CD1-CG2 3.66Å; I275-T300 HydrophobicContact CG2-CG2 4.05Å; V296-T300 WeakPolarHBondContact CA-O 3.47Å; E297-T300 PolarHBondContact N-O 2.69Å; E297-T300 WeakPolarHBondContact O-CA 3.49Å; E297-T300 WeakPolarHBondContact O-CB 3.3Å; E297-T300 PolarHBondContact O-N 3.47Å; N298-T300 PolarHBondContact O-N 2.9Å; N298-T300 VanDerWaalsContact O-N 3.14Å; T300-V322 HydrophobicContact CG2-CG2 4.4Å
301	P	98.7	Very high	97.8	Very high	44 Å²	44	33.8 Å²	33.8	29%	0.286	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.6	175	29.9	-33.9	0	0	0	110.9	G295 R323	G295-P301 WeakPolarHBondContact O-CA 3.09Å; P301-R323 HydrophobicContact CB-CB 4.33Å; P301-R323 WeakPolarHBondContact CG-O 3.41Å; P301-R323 PolarHBondContact O-N 3.07Å
302	Y	98.9	Very high	97.4	Very high	41 Å²	41	36.6 Å²	36.6	16%	0.161	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.3	178.8	65.6	-98.3	0	0	0	113.4	I275 W294 G295 E297 L304 R320 I321 R323	I275-Y302 HydrophobicContact CD1-CD1 3.68Å; I275-Y302 HydrophobicContact CD1-CG 4.26Å; I275-Y302 HydrophobicContact CG1-CD1 4.05Å; I275-Y302 HydrophobicContact CG1-CG 4.26Å; W294-Y302 VanDerWaalsContact CA-O 3.24Å; W294-Y302 WeakPolarHBondContact CA-O 2.83Å; W294-Y302 VanDerWaalsContact CB-O 3.22Å; W294-Y302 WeakPolarHBondContact CB-O 3.39Å; G295-Y302 VanDerWaalsContact CA-CZ 3.49Å; G295-Y302 PolarHBondContact N-O 2.95Å; G295-Y302 VanDerWaalsContact N-O 3.1Å; G295-Y302 WeakPolarHBondContact O-CD1 3.48Å; G295-Y302 PolarHBondContact O-N 3.17Å; E297-Y302 HydrophobicContact CB-CD1 4.39Å; E297-Y302 HydrophobicContact CB-CE1 3.99Å; Y302-L304 HydrophobicContact CE2-CB 4.31Å; Y302-R320 HydrophobicContact CD2-CB 3.96Å; Y302-R320 HydrophobicContact CD2-CG 3.7Å; Y302-R320 HydrophobicContact CE2-CG 3.97Å; Y302-R320 HydrophobicContact CG-CB 4.16Å; Y302-R320 HydrophobicContact CG-CG 4.33Å; Y302-I321 CarbonylContact C-O 3.49Å; Y302-I321 WeakPolarHBondContact CA-O 3.25Å; Y302-I321 WeakPolarHBondContact CB-O 3.37Å; Y302-R323 PolarHBondContact O-NE 2.83Å
303	W	98.9	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140.1	159.2	-65.6	116	0	0	0	110	E245 I248 Q249 I252 I291 W294 I305 R320 I321 R323 E331	E245-W303 HydrophobicContact CG-CH2 4.42Å; E245-W303 HydrophobicContact CG-CZ2 4.11Å; I248-W303 HydrophobicContact CB-CH2 3.77Å; I248-W303 HydrophobicContact CB-CZ2 4.16Å; I248-W303 HydrophobicContact CD1-CZ2 4.38Å; I248-W303 HydrophobicContact CG2-CH2 3.45Å; I248-W303 VanDerWaalsContact CG2-CH2 3.45Å; I248-W303 HydrophobicContact CG2-CZ2 3.92Å; I248-W303 HydrophobicContact CG2-CZ3 3.89Å; Q249-W303 HydrophobicContact CG-CH2 3.69Å; Q249-W303 HydrophobicContact CG-CZ3 3.89Å; I252-W303 HydrophobicContact CD1-CZ3 4.15Å; I291-W303 HydrophobicContact CG2-CB 4.19Å; I291-W303 HydrophobicContact CG2-CD2 4.23Å; I291-W303 HydrophobicContact CG2-CE3 3.78Å; I291-W303 HydrophobicContact CG2-CG 4.44Å; W294-W303 HydrophobicContact CB-CE3 3.89Å; W294-W303 HydrophobicContact CB-CZ3 4.08Å; W294-W303 HydrophobicContact CD2-CZ3 4.48Å; W294-W303 HydrophobicContact CE3-CZ3 4.07Å; W303-I305 HydrophobicContact CB-CD1 4.13Å; W303-I305 HydrophobicContact CB-CG1 4.07Å; W303-R320 VanDerWaalsContact O-CA 3.24Å; W303-R320 WeakPolarHBondContact O-CA 3.32Å; W303-I321 HydrophobicContact CB-CG2 3.98Å; W303-I321 PolarHBondContact N-O 2.92Å; W303-I321 PolarHBondContact O-N 2.95Å; W303-R323 HydrophobicContact CD2-CB 4.1Å; W303-R323 HydrophobicContact CD2-CG 3.97Å; W303-R323 VanDerWaalsContact CE2-CG 3.43Å; W303-R323 HydrophobicContact CG-CB 4Å; W303-R323 HydrophobicContact CG-CG 4.39Å; W303-R323 HydrophobicContact CH2-CG 4.28Å; W303-R323 HydrophobicContact CZ2-CG 3.62Å; W303-E331 HydrophobicContact CZ2-CG 4.21Å; W303-E331 PolarHBondContact NE1-OE1 2.71Å
304	L	98.9	Very high	97	Very high	18 Å²	18	37.7 Å²	37.7	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.3	171.4	175.2	64.6	0	0	0	108.8	I292 G293 Y302 Y318 R320	I292-L304 HydrophobicContact CD1-CD2 3.66Å; I292-L304 HydrophobicContact CD1-CG 3.93Å; I292-L304 HydrophobicContact CG1-CB 4.34Å; I292-L304 HydrophobicContact CG1-CD2 3.83Å; I292-L304 HydrophobicContact CG1-CG 3.71Å; I292-L304 WeakPolarHBondContact CG1-O 3.37Å; I292-L304 PolarHBondContact N-O 3.45Å; G293-L304 PolarHBondContact N-O 3.26Å; G293-L304 PolarHBondContact O-N 2.6Å; Y302-L304 HydrophobicContact CE2-CB 4.31Å; L304-Y318 HydrophobicContact CD1-CD1 4.41Å; L304-R320 HydrophobicContact CD1-CG 4.07Å
305	I	98.9	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134	-167.4	-59.1	-178.7	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 4.06Å; I289-I305 HydrophobicContact CD1-CG1 4.41Å; I289-I305 HydrophobicContact CD1-CG2 3.6Å; I289-I305 HydrophobicContact CG1-CD1 4.38Å; I289-I305 HydrophobicContact CG1-CG2 3.6Å; I289-I305 HydrophobicContact CG2-CG2 4.2Å; R290-I305 WeakPolarHBondContact O-CA 3.19Å; I291-I305 HydrophobicContact CG1-CD1 4.35Å; I291-I305 HydrophobicContact CG1-CG1 4.18Å; I291-I305 HydrophobicContact CG2-CG1 4.45Å; W303-I305 HydrophobicContact CB-CD1 4.13Å; W303-I305 HydrophobicContact CB-CG1 4.07Å; I305-Y318 CarbonylContact O-C 3.49Å; I305-Y318 WeakPolarHBondContact O-CA 3.37Å; I305-Y318 WeakPolarHBondContact O-CB 3.42Å; I305-Y318 WeakPolarHBondContact O-CD1 3.43Å; I305-F319 HydrophobicContact CB-CD1 3.96Å; I305-F319 HydrophobicContact CB-CE1 3.66Å; I305-F319 HydrophobicContact CB-CE2 4.25Å; I305-F319 HydrophobicContact CB-CG 4.41Å; I305-F319 HydrophobicContact CB-CZ 3.81Å; I305-F319 HydrophobicContact CD1-CE1 4.46Å; I305-F319 HydrophobicContact CD1-CE2 3.78Å; I305-F319 HydrophobicContact CD1-CZ 3.72Å; I305-F319 HydrophobicContact CG1-CZ 4.36Å; I305-F319 HydrophobicContact CG2-CD1 3.93Å; I305-F319 HydrophobicContact CG2-CE1 3.2Å; 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 3.05Å; I305-F319 PolarHBondContact O-N 2.75Å; I305-I321 HydrophobicContact CD1-CG2 3.38Å; I305-I321 HydrophobicContact CG1-CG2 4.44Å; I305-I330 HydrophobicContact CD1-CD1 3.73Å; I305-I330 HydrophobicContact CD1-CG1 4.15Å
306	A	98.9	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.9	166.8	0	0	0	0	0	109.5	I108 R290 I292 Y318	I108-A306 HydrophobicContact CD1-CB 3.69Å; R290-A306 HydrophobicContact CB-CB 4.5Å; R290-A306 PolarHBondContact N-O 2.75Å; R290-A306 PolarHBondContact O-N 3.27Å; I292-A306 HydrophobicContact CG2-CB 4.42Å; A306-Y318 HydrophobicContact CB-CD1 4.04Å; A306-Y318 HydrophobicContact CB-CE1 3.9Å
307	N	98.4	Very high	96.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.209	C	C	.	.			trans	-92.6	169.4	173.3	-156.9	-5.3	0	0	0	110.4	H287 W309 W313 G317 F319	H287-N307 PolarHBondContact NE2-OD1 3.04Å; N307-W309 WeakPolarHBondContact ND2-CZ3 3.37Å; N307-W313 HydrophobicContact CB-CE3 3.94Å; N307-W313 HydrophobicContact CB-CZ3 3.73Å; N307-W313 WeakPolarHBondContact ND2-CH2 3.12Å; N307-W313 WeakPolarHBondContact ND2-CZ3 3.32Å; N307-G317 WeakPolarHBondContact CB-O 3.35Å; N307-G317 PolarHBondContact N-O 2.91Å; N307-F319 HydrophobicContact CB-CD1 4.15Å; N307-F319 HydrophobicContact CB-CE1 4.18Å
308	S	97.6	Very high	96.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	19%	0.194	C	C	.	.	S	Bend	trans	-112.5	33.4	-178.6	48.9	0	0	0	0	112	R109 D110 Q111	R109-S308 CarbonylContact O-C 3.38Å; R109-S308 WeakPolarHBondContact O-CA 3.46Å; D110-S308 CarbonylContact C-O 3.4Å; D110-S308 VanDerWaalsContact CA-O 3.29Å; D110-S308 WeakPolarHBondContact CA-O 3.21Å; Q111-S308 PolarHBondContact N-O 3.15Å; Q111-S308 PolarHBondContact OE1-OG 2.9Å
309	W	95.5	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-118.1	32.1	-174.7	-72.1	-9.1	0	0	0	112.8	R52 F53 Q62 M63 R109 F268 H287 N307 W313	R52-W309 VanDerWaalsContact CZ-CA 3.45Å; R52-W309 VanDerWaalsContact CZ-CB 3.49Å; R52-W309 VanDerWaalsContact NE-CB 3.34Å; R52-W309 VanDerWaalsContact NE-CG 3.26Å; R52-W309 PolarHBondContact NH1-O 3.17Å; F53-W309 AromaticContact CE2-CE3 3.97Å; F53-W309 HydrophobicContact CE2-CE3 3.97Å; F53-W309 HydrophobicContact CE2-CH2 4.07Å; F53-W309 AromaticContact CE2-CZ3 3.67Å; F53-W309 HydrophobicContact CE2-CZ3 3.67Å; F53-W309 AromaticContact CZ-CD2 3.85Å; F53-W309 HydrophobicContact CZ-CD2 3.85Å; F53-W309 AromaticContact CZ-CE2 3.93Å; F53-W309 AromaticContact CZ-CE3 3.61Å; F53-W309 HydrophobicContact CZ-CE3 3.61Å; F53-W309 AromaticContact CZ-CH2 3.66Å; F53-W309 HydrophobicContact CZ-CH2 3.66Å; F53-W309 AromaticContact CZ-CZ2 3.86Å; F53-W309 HydrophobicContact CZ-CZ2 3.86Å; F53-W309 AromaticContact CZ-CZ3 3.53Å; F53-W309 HydrophobicContact CZ-CZ3 3.53Å; Q62-W309 PolarHBondContact O-NE1 2.96Å; Q62-W309 VanDerWaalsContact O-NE1 3.13Å; M63-W309 HydrophobicContact CG-CZ2 4.2Å; R109-W309 PolarHBondContact O-N 2.04Å; F268-W309 HydrophobicContact CD1-CH2 4.29Å; F268-W309 HydrophobicContact CD1-CZ3 4.3Å; F268-W309 AromaticContact CE1-CH2 3.95Å; F268-W309 HydrophobicContact CE1-CH2 3.95Å; F268-W309 AromaticContact CE1-CZ3 3.78Å; F268-W309 HydrophobicContact CE1-CZ3 3.78Å; H287-W309 AromaticContact CD2-CZ2 3.91Å; H287-W309 AromaticContact CE1-CE2 3.85Å; H287-W309 AromaticContact CE1-CZ2 3.82Å; H287-W309 AromaticContact CE1-NE1 3.67Å; H287-W309 AromaticContact NE2-CE2 3.7Å; H287-W309 AromaticContact NE2-CZ2 3.6Å; H287-W309 AromaticContact NE2-NE1 3.89Å; N307-W309 WeakPolarHBondContact ND2-CZ3 3.37Å; W309-W313 HydrophobicContact CB-CB 4.23Å; W309-W313 HydrophobicContact CB-CG 4.27Å; W309-W313 AromaticContact CE3-CD1 3.9Å; W309-W313 AromaticContact CE3-CD2 3.78Å; W309-W313 HydrophobicContact CE3-CD2 3.78Å; W309-W313 AromaticContact CE3-CE2 3.5Å; W309-W313 VanDerWaalsContact CE3-CE2 3.5Å; W309-W313 HydrophobicContact CE3-CE3 4.44Å; W309-W313 HydrophobicContact CE3-CG 4.04Å; W309-W313 AromaticContact CE3-CZ2 3.95Å; W309-W313 HydrophobicContact CE3-CZ2 3.95Å; W309-W313 AromaticContact CE3-NE1 3.57Å; W309-W313 HydrophobicContact CZ3-CD2 4.42Å; W309-W313 AromaticContact CZ3-CE2 3.7Å; W309-W313 AromaticContact CZ3-CZ2 3.76Å; W309-W313 HydrophobicContact CZ3-CZ2 3.76Å; W309-W313 AromaticContact CZ3-NE1 3.78Å
310	N	93.4	Very high	97.1	Very high	5 Å²	5	23 Å²	23	3%	0.027	12%	0.12	C	C	.	.			trans	58.5	171.6	-172.5	76.6	47.4	0	0	0	114.9	R52 I108 R109 D110 C195 Y203 D312 G317	R52-N310 PolarHBondContact NH1-ND2 2.86Å; I108-N310 VanDerWaalsContact CG2-C 3.45Å; R109-N310 WeakPolarHBondContact O-CA 3.5Å; R109-N310 PolarHBondContact O-N 3.3Å; D110-N310 HydrophobicContact CB-CB 3.99Å; D110-N310 WeakPolarHBondContact OD2-CB 3.43Å; D110-N310 PolarHBondContact OD2-ND2 2.71Å; C195-N310 PolarHBondContact O-ND2 2.95Å; Y203-N310 HydrophobicContact CE2-CB 4.26Å; N310-D312 VanDerWaalsContact C-N 3.3Å; N310-D312 PolarHBondContact O-N 3.21Å; N310-D312 WeakPolarHBondContact OD1-CB 3.3Å; N310-D312 PolarHBondContact OD1-N 3Å; N310-G317 VanDerWaalsContact O-CA 3.23Å; N310-G317 WeakPolarHBondContact O-CA 3.13Å
311	E	93.8	Very high	97.1	Very high	43 Å²	43	20.5 Å²	20.5	20%	0.201	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.8	-173.9	64.6	-94.7	-144.7	0	0	114.5	K194 K202 Y203 N316 G317	K194-E311 IonicContact NZ-OE2 2.67Å; K194-E311 PolarHBondContact NZ-OE2 2.89Å; K202-E311 WeakPolarHBondContact CE-OE1 3.24Å; K202-E311 IonicContact NZ-OE1 2.71Å; K202-E311 PolarHBondContact NZ-OE1 3.43Å; Y203-E311 VanDerWaalsContact OH-CD 3.31Å; Y203-E311 PolarHBondContact OH-OE1 3.24Å; Y203-E311 PolarHBondContact OH-OE2 3.31Å; E311-N316 CarbonylContact O-C 3.52Å; E311-N316 WeakPolarHBondContact O-CA 3.25Å; E311-G317 PolarHBondContact O-N 2.98Å
312	D	91.5	Very high	97.1	Very high	59 Å²	59	19.2 Å²	19.2	32%	0.316	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.1	-179.1	-52	-47.4	0	0	0	111.7	K202 N310	K202-D312 VanDerWaalsContact CE-OD1 3.32Å; K202-D312 WeakPolarHBondContact CE-OD1 3.38Å; K202-D312 WeakPolarHBondContact CE-OD2 3.22Å; K202-D312 IonicContact NZ-OD1 3.73Å; K202-D312 PolarHBondContact NZ-OD1 3.27Å; K202-D312 IonicContact NZ-OD2 3.51Å; N310-D312 VanDerWaalsContact C-N 3.3Å; N310-D312 PolarHBondContact O-N 3.21Å; N310-D312 WeakPolarHBondContact OD1-CB 3.3Å; N310-D312 PolarHBondContact OD1-N 3Å
313	W	94.3	Very high	97.1	Very high	15 Å²	15	18 Å²	18	6%	0.057	9%	0.091	C	C	.	.	S	Bend	trans	-83.5	141.5	173.8	-178.5	88	0	0	0	112.2	F268 Y271 N307 W309 G317 F319	F268-W313 HydrophobicContact CD1-CZ2 4.48Å; F268-W313 AromaticContact CE1-CH2 3.93Å; F268-W313 HydrophobicContact CE1-CH2 3.93Å; F268-W313 AromaticContact CE1-CZ2 3.72Å; F268-W313 HydrophobicContact CE1-CZ2 3.72Å; F268-W313 HydrophobicContact CE2-CH2 4.18Å; F268-W313 HydrophobicContact CE2-CZ2 4.38Å; F268-W313 AromaticContact CZ-CH2 3.46Å; F268-W313 HydrophobicContact CZ-CH2 3.46Å; F268-W313 VanDerWaalsContact CZ-CH2 3.46Å; F268-W313 AromaticContact CZ-CZ2 3.68Å; F268-W313 HydrophobicContact CZ-CZ2 3.68Å; Y271-W313 AromaticContact CD1-CH2 3.77Å; Y271-W313 HydrophobicContact CD1-CH2 3.77Å; Y271-W313 AromaticContact CD1-CZ2 3.96Å; Y271-W313 HydrophobicContact CD1-CZ2 3.96Å; Y271-W313 HydrophobicContact CD1-CZ3 4.4Å; Y271-W313 HydrophobicContact CE1-CH2 4.37Å; N307-W313 HydrophobicContact CB-CE3 3.94Å; N307-W313 HydrophobicContact CB-CZ3 3.73Å; N307-W313 WeakPolarHBondContact ND2-CH2 3.12Å; N307-W313 WeakPolarHBondContact ND2-CZ3 3.32Å; W309-W313 HydrophobicContact CB-CB 4.23Å; W309-W313 HydrophobicContact CB-CG 4.27Å; W309-W313 AromaticContact CE3-CD1 3.9Å; W309-W313 AromaticContact CE3-CD2 3.78Å; W309-W313 HydrophobicContact CE3-CD2 3.78Å; W309-W313 AromaticContact CE3-CE2 3.5Å; W309-W313 VanDerWaalsContact CE3-CE2 3.5Å; W309-W313 HydrophobicContact CE3-CE3 4.44Å; W309-W313 HydrophobicContact CE3-CG 4.04Å; W309-W313 AromaticContact CE3-CZ2 3.95Å; W309-W313 HydrophobicContact CE3-CZ2 3.95Å; W309-W313 AromaticContact CE3-NE1 3.57Å; W309-W313 HydrophobicContact CZ3-CD2 4.42Å; W309-W313 AromaticContact CZ3-CE2 3.7Å; W309-W313 AromaticContact CZ3-CZ2 3.76Å; W309-W313 HydrophobicContact CZ3-CZ2 3.76Å; W309-W313 AromaticContact CZ3-NE1 3.78Å; W313-G317 VanDerWaalsContact O-CA 3.24Å; W313-G317 WeakPolarHBondContact O-CA 3.46Å; W313-G317 PolarHBondContact O-N 3.08Å; W313-F319 HydrophobicContact CH2-CB 3.8Å; W313-F319 AromaticContact CH2-CD1 3.82Å; W313-F319 HydrophobicContact CH2-CD1 3.82Å; W313-F319 AromaticContact CH2-CG 3.93Å; W313-F319 HydrophobicContact CH2-CG 3.93Å; W313-F319 HydrophobicContact CZ3-CB 3.86Å; W313-F319 AromaticContact CZ3-CD1 3.74Å; W313-F319 HydrophobicContact CZ3-CD1 3.74Å; W313-F319 HydrophobicContact CZ3-CG 4.12Å
314	G	96	Very high	97.1	Very high	9 Å²	9	19.6 Å²	19.6	9%	0.093	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-135.1	174	0	0	0	0	0	114	K272 N316	K272-G314 CarbonylContact O-C 3.55Å; K272-G314 WeakPolarHBondContact O-CA 3.43Å; G314-N316 PolarHBondContact O-N 2.99Å
315	E	97.7	Very high	97.1	Very high	48 Å²	48	28.8 Å²	28.8	22%	0.224	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-91.7	71.5	-179.7	-59	-174.9	145.6	0	0	110.3	Y271 S273 G274 G317 Y318 R320	Y271-E315 HydrophobicContact CE1-CG 4.27Å; Y271-E315 VanDerWaalsContact OH-CD 3.31Å; Y271-E315 PolarHBondContact OH-OE2 3.3Å; S273-E315 WeakPolarHBondContact CA-OE1 3.23Å; S273-E315 WeakPolarHBondContact CB-OE1 3.24Å; G274-E315 PolarHBondContact N-OE1 3.5Å; E315-G317 VanDerWaalsContact C-N 3.34Å; E315-G317 PolarHBondContact O-N 3.23Å; E315-Y318 PolarHBondContact N-O 3.27Å; E315-Y318 WeakPolarHBondContact O-CB 3.25Å; E315-Y318 WeakPolarHBondContact O-CD2 3.27Å; E315-Y318 PolarHBondContact O-N 3.49Å; E315-Y318 VanDerWaalsContact O-N 3.14Å; E315-R320 IonicContact OE1-CZ 3.5Å; E315-R320 IonicContact OE1-NE 2.88Å; E315-R320 IonicContact OE1-NH2 3.53Å; E315-R320 PolarHBondContact OE1-NH2 3.49Å; E315-R320 IonicContact OE2-CZ 3.78Å; E315-R320 IonicContact OE2-NE 3.31Å; E315-R320 PolarHBondContact OE2-NE 2.83Å; E315-R320 IonicContact OE2-NH2 3.97Å
316	N	96.2	Very high	97	Very high	108 Å²	108	30.6 Å²	30.6	58%	0.578	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	40.9	-176.4	-169.5	53.6	0	0	0	113.1	E311 G314 Y318	E311-N316 CarbonylContact O-C 3.52Å; E311-N316 WeakPolarHBondContact O-CA 3.25Å; G314-N316 PolarHBondContact O-N 2.99Å; N316-Y318 VanDerWaalsContact C-N 3.31Å; N316-Y318 VanDerWaalsContact O-CD2 3.24Å; N316-Y318 WeakPolarHBondContact O-CD2 3.2Å; N316-Y318 WeakPolarHBondContact O-CE2 3.38Å
317	G	96.7	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-4.5	-175.1	0	0	0	0	0	115.1	N307 N310 E311 W313 E315	N307-G317 WeakPolarHBondContact CB-O 3.35Å; N307-G317 PolarHBondContact N-O 2.91Å; N310-G317 VanDerWaalsContact O-CA 3.23Å; N310-G317 WeakPolarHBondContact O-CA 3.13Å; E311-G317 PolarHBondContact O-N 2.98Å; W313-G317 VanDerWaalsContact O-CA 3.24Å; W313-G317 WeakPolarHBondContact O-CA 3.46Å; W313-G317 PolarHBondContact O-N 3.08Å; E315-G317 VanDerWaalsContact C-N 3.34Å; E315-G317 PolarHBondContact O-N 3.23Å
318	Y	98.7	Very high	97	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	164.6	175.7	-58.1	-97.7	0	0	0	110.7	R96 A106 I108 I292 L304 I305 A306 E315 N316	R96-Y318 VanDerWaalsContact NH1-CZ 3.34Å; A106-Y318 WeakPolarHBondContact CA-OH 2.99Å; A106-Y318 PolarHBondContact O-OH 2.83Å; I108-Y318 HydrophobicContact CD1-CD1 4.24Å; I108-Y318 HydrophobicContact CD1-CD2 4.05Å; I108-Y318 HydrophobicContact CD1-CE1 3.85Å; I108-Y318 HydrophobicContact CD1-CE2 3.62Å; I108-Y318 HydrophobicContact CD1-CG 4.33Å; I108-Y318 HydrophobicContact CG1-CD2 4.33Å; I108-Y318 HydrophobicContact CG1-CE2 3.7Å; I292-Y318 HydrophobicContact CD1-CD1 4.09Å; I292-Y318 HydrophobicContact CD1-CE1 3.61Å; L304-Y318 HydrophobicContact CD1-CD1 4.41Å; I305-Y318 CarbonylContact O-C 3.49Å; I305-Y318 WeakPolarHBondContact O-CA 3.37Å; I305-Y318 WeakPolarHBondContact O-CB 3.42Å; I305-Y318 WeakPolarHBondContact O-CD1 3.43Å; A306-Y318 HydrophobicContact CB-CD1 4.04Å; A306-Y318 HydrophobicContact CB-CE1 3.9Å; E315-Y318 PolarHBondContact N-O 3.27Å; E315-Y318 WeakPolarHBondContact O-CB 3.25Å; E315-Y318 WeakPolarHBondContact O-CD2 3.27Å; E315-Y318 PolarHBondContact O-N 3.49Å; E315-Y318 VanDerWaalsContact O-N 3.14Å; N316-Y318 VanDerWaalsContact C-N 3.31Å; N316-Y318 VanDerWaalsContact O-CD2 3.24Å; N316-Y318 WeakPolarHBondContact O-CD2 3.2Å; N316-Y318 WeakPolarHBondContact O-CE2 3.38Å
319	F	98.8	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	167.8	162.9	67.9	-76.4	0	0	0	109.7	F262 F268 Y271 I289 I305 N307 W313 I321	F262-F319 HydrophobicContact CE1-CZ 4.03Å; F262-F319 HydrophobicContact CZ-CE2 4.42Å; F262-F319 HydrophobicContact CZ-CZ 4.06Å; F268-F319 AromaticContact CE2-CD2 3.76Å; F268-F319 HydrophobicContact CE2-CD2 3.76Å; F268-F319 AromaticContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CG 4.29Å; F268-F319 HydrophobicContact CE2-CZ 4.47Å; F268-F319 HydrophobicContact CZ-CD1 4.32Å; F268-F319 AromaticContact CZ-CD2 3.94Å; F268-F319 HydrophobicContact CZ-CD2 3.94Å; F268-F319 HydrophobicContact CZ-CE1 4.24Å; F268-F319 AromaticContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CG 4.16Å; F268-F319 HydrophobicContact CZ-CZ 4.01Å; Y271-F319 HydrophobicContact CD1-CB 3.91Å; Y271-F319 HydrophobicContact CE1-CB 3.29Å; Y271-F319 HydrophobicContact CE2-CB 4.47Å; I289-F319 HydrophobicContact CG1-CZ 4.43Å; I289-F319 HydrophobicContact CG2-CE1 4.03Å; I289-F319 HydrophobicContact CG2-CZ 4.15Å; I305-F319 HydrophobicContact CB-CD1 3.96Å; I305-F319 HydrophobicContact CB-CE1 3.66Å; I305-F319 HydrophobicContact CB-CE2 4.25Å; I305-F319 HydrophobicContact CB-CG 4.41Å; I305-F319 HydrophobicContact CB-CZ 3.81Å; I305-F319 HydrophobicContact CD1-CE1 4.46Å; I305-F319 HydrophobicContact CD1-CE2 3.78Å; I305-F319 HydrophobicContact CD1-CZ 3.72Å; I305-F319 HydrophobicContact CG1-CZ 4.36Å; I305-F319 HydrophobicContact CG2-CD1 3.93Å; I305-F319 HydrophobicContact CG2-CE1 3.2Å; 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 3.05Å; I305-F319 PolarHBondContact O-N 2.75Å; N307-F319 HydrophobicContact CB-CD1 4.15Å; N307-F319 HydrophobicContact CB-CE1 4.18Å; W313-F319 HydrophobicContact CH2-CB 3.8Å; W313-F319 AromaticContact CH2-CD1 3.82Å; W313-F319 HydrophobicContact CH2-CD1 3.82Å; W313-F319 AromaticContact CH2-CG 3.93Å; W313-F319 HydrophobicContact CH2-CG 3.93Å; W313-F319 HydrophobicContact CZ3-CB 3.86Å; W313-F319 AromaticContact CZ3-CD1 3.74Å; W313-F319 HydrophobicContact CZ3-CD1 3.74Å; W313-F319 HydrophobicContact CZ3-CG 4.12Å; F319-I321 HydrophobicContact CD2-CB 4.41Å; F319-I321 HydrophobicContact CE2-CB 4.19Å; F319-I321 HydrophobicContact CE2-CG2 4.35Å
320	R	98.9	Very high	97.2	Very high	27 Å²	27	35.3 Å²	35.3	10%	0.102	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.1	173.8	-65.5	173.1	-72.2	148.1	-0.1	109	Y271 I275 Y276 E297 Y302 W303 L304 E315	Y271-R320 PolarHBondContact OH-N 3.46Å; I275-R320 HydrophobicContact CG1-CB 4.37Å; Y276-R320 WeakPolarHBondContact CB-O 3.33Å; Y276-R320 PolarHBondContact N-O 3.11Å; E297-R320 VanDerWaalsContact CD-NH1 3.27Å; E297-R320 IonicContact OE1-NH1 2.99Å; E297-R320 IonicContact OE2-CZ 2.92Å; E297-R320 IonicContact OE2-NH1 2.76Å; E297-R320 PolarHBondContact OE2-NH1 2.87Å; E297-R320 IonicContact OE2-NH2 3.21Å; E297-R320 PolarHBondContact OE2-NH2 2.67Å; Y302-R320 HydrophobicContact CD2-CB 3.96Å; Y302-R320 HydrophobicContact CD2-CG 3.7Å; Y302-R320 HydrophobicContact CE2-CG 3.97Å; Y302-R320 HydrophobicContact CG-CB 4.16Å; Y302-R320 HydrophobicContact CG-CG 4.33Å; W303-R320 VanDerWaalsContact O-CA 3.24Å; W303-R320 WeakPolarHBondContact O-CA 3.32Å; L304-R320 HydrophobicContact CD1-CG 4.07Å; E315-R320 IonicContact OE1-CZ 3.5Å; E315-R320 IonicContact OE1-NE 2.88Å; E315-R320 IonicContact OE1-NH2 3.53Å; E315-R320 PolarHBondContact OE1-NH2 3.49Å; E315-R320 IonicContact OE2-CZ 3.78Å; E315-R320 IonicContact OE2-NE 3.31Å; E315-R320 PolarHBondContact OE2-NE 2.83Å; E315-R320 IonicContact OE2-NH2 3.97Å
321	I	98.9	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.9	-180	-172.6	169.2	0	0	0	109.5	F262 Y276 Y302 W303 I305 F319 R323 E327 C328 I330	F262-I321 HydrophobicContact CD2-CD1 4.33Å; Y276-I321 HydrophobicContact CD1-CB 4.46Å; Y276-I321 HydrophobicContact CD1-CD1 3.76Å; Y276-I321 HydrophobicContact CD1-CG1 3.84Å; Y276-I321 HydrophobicContact CE1-CD1 4.14Å; Y276-I321 WeakPolarHBondContact O-CA 3.27Å; Y276-I321 WeakPolarHBondContact O-CG1 3.4Å; Y302-I321 CarbonylContact C-O 3.49Å; Y302-I321 WeakPolarHBondContact CA-O 3.25Å; Y302-I321 WeakPolarHBondContact CB-O 3.37Å; W303-I321 HydrophobicContact CB-CG2 3.98Å; W303-I321 PolarHBondContact N-O 2.92Å; W303-I321 PolarHBondContact O-N 2.95Å; I305-I321 HydrophobicContact CD1-CG2 3.38Å; I305-I321 HydrophobicContact CG1-CG2 4.44Å; F319-I321 HydrophobicContact CD2-CB 4.41Å; F319-I321 HydrophobicContact CE2-CB 4.19Å; F319-I321 HydrophobicContact CE2-CG2 4.35Å; I321-R323 PolarHBondContact O-N 2.67Å; I321-E327 HydrophobicContact CD1-CB 4.38Å; I321-E327 HydrophobicContact CD1-CG 3.97Å; I321-E327 HydrophobicContact CG1-CB 4.18Å; I321-E327 HydrophobicContact CG1-CG 3.77Å; I321-C328 HydrophobicContact CD1-CB 4.38Å; I321-I330 HydrophobicContact CD1-CB 4.35Å; I321-I330 HydrophobicContact CG2-CG1 3.99Å
322	V	98.8	Very high	97.7	Very high	16 Å²	16	35.8 Å²	35.8	10%	0.097	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	133.9	177.9	171.6	0	0	0	0	111.1	I275 Y276 K277 T300 R325 E327	I275-V322 HydrophobicContact CG2-CG2 3.87Å; Y276-V322 PolarHBondContact O-N 3.31Å; K277-V322 HydrophobicContact CB-CG2 3.8Å; T300-V322 HydrophobicContact CG2-CG2 4.4Å; V322-R325 HydrophobicContact CG1-CB 4.45Å; V322-E327 HydrophobicContact CB-CB 3.97Å; V322-E327 HydrophobicContact CB-CG 4.08Å; V322-E327 HydrophobicContact CG1-CB 4.41Å
323	R	98.8	Very high	98	Very high	17 Å²	17	33.8 Å²	33.8	6%	0.064	18%	0.175	C	C	.	.			trans	-109.1	147.8	177.7	166.6	172.5	55.7	84.2	0.4	111.4	E245 G295 P301 Y302 W303 I321	E245-R323 HydrophobicContact CG-CG 3.74Å; E245-R323 IonicContact OE1-CZ 3.2Å; E245-R323 IonicContact OE1-NH1 2.73Å; E245-R323 PolarHBondContact OE1-NH1 2.67Å; G295-R323 PolarHBondContact O-NH2 2.94Å; P301-R323 HydrophobicContact CB-CB 4.33Å; P301-R323 WeakPolarHBondContact CG-O 3.41Å; P301-R323 PolarHBondContact O-N 3.07Å; Y302-R323 PolarHBondContact O-NE 2.83Å; W303-R323 HydrophobicContact CD2-CB 4.1Å; W303-R323 HydrophobicContact CD2-CG 3.97Å; W303-R323 VanDerWaalsContact CE2-CG 3.43Å; W303-R323 HydrophobicContact CG-CB 4Å; W303-R323 HydrophobicContact CG-CG 4.39Å; W303-R323 HydrophobicContact CH2-CG 4.28Å; W303-R323 HydrophobicContact CZ2-CG 3.62Å; I321-R323 PolarHBondContact O-N 2.67Å
324	G	98.4	Very high	98.3	Very high	32 Å²	32	33 Å²	33	33%	0.33	17%	0.172	S	C	.	.	S	Bend	trans	86.8	13.9	171.9	0	0	0	0	0	114.1	E245 E331	E245-G324 WeakPolarHBondContact OE2-CA 3.17Å; G324-E331 PolarHBondContact N-OE1 2.9Å
325	R	98.1	Very high	98.4	Very high	211 Å²	211	32.6 Å²	32.6	80%	0.796	17%	0.168	S	C	*	.	S	Bend	trans	-138	11.6	179.3	-64.1	-171.8	178.6	-174.9	-1.1	112.5	V322 E327	V322-R325 HydrophobicContact CG1-CB 4.45Å; R325-E327 PolarHBondContact O-N 3.14Å
326	D	98.6	Very high	98.5	Very high	39 Å²	39	30.3 Å²	30.3	21%	0.209	16%	0.157	C	C	.	.			trans	47.8	42.2	-174.8	-158.8	14	0	0	0	112.7	N243 C328 S329 I330 E331 S332	N243-D326 PolarHBondContact ND2-OD2 2.84Å; D326-C328 PolarHBondContact O-N 3.35Å; D326-S329 WeakPolarHBondContact O-CA 3.23Å; D326-S329 PolarHBondContact O-N 3.37Å; D326-S329 WeakPolarHBondContact OD1-CA 3.05Å; D326-I330 PolarHBondContact OD1-N 2.89Å; D326-E331 HydrophobicContact CB-CB 4.3Å; D326-E331 PolarHBondContact N-OE2 3.4Å; D326-E331 VanDerWaalsContact N-OE2 3.09Å; D326-E331 WeakPolarHBondContact OD1-CA 3.37Å; D326-E331 WeakPolarHBondContact OD1-CB 3.39Å; D326-E331 PolarHBondContact OD1-N 2.87Å; D326-S332 PolarHBondContact OD1-N 3.32Å; D326-S332 VanDerWaalsContact OD1-N 3.08Å; D326-S332 PolarHBondContact OD2-OG 3.07Å
327	E	98.6	Very high	98.6	Very high	40 Å²	40	25.2 Å²	25.2	19%	0.187	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-53.8	124.2	-177.3	178.8	61.7	-146.4	0	0	109.9	K277 H278 I321 V322 R325 S329 I330	K277-E327 HydrophobicContact CB-CG 4.49Å; H278-E327 PolarHBondContact N-OE1 3.19Å; I321-E327 HydrophobicContact CD1-CB 4.38Å; I321-E327 HydrophobicContact CD1-CG 3.97Å; I321-E327 HydrophobicContact CG1-CB 4.18Å; I321-E327 HydrophobicContact CG1-CG 3.77Å; V322-E327 HydrophobicContact CB-CB 3.97Å; V322-E327 HydrophobicContact CB-CG 4.08Å; V322-E327 HydrophobicContact CG1-CB 4.41Å; R325-E327 PolarHBondContact O-N 3.14Å; E327-S329 PolarHBondContact O-N 3.28Å; E327-S329 VanDerWaalsContact O-N 3.09Å; E327-I330 HydrophobicContact CB-CG2 4.42Å; E327-I330 VanDerWaalsContact O-CB 3.23Å; E327-I330 WeakPolarHBondContact O-CB 3.45Å; E327-I330 WeakPolarHBondContact O-CG2 3.14Å; E327-I330 PolarHBondContact O-N 2.76Å
328	C	98.5	Very high	98.7	Very high	13 Å²	13	28.5 Å²	28.5	9%	0.088	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	54	26.4	-175.3	-57.5	0	0	0	0	114.2	F262 T263 Y265 I321 D326 I330	F262-C328 CarbonylContact C-O 3.01Å; F262-C328 WeakPolarHBondContact CA-O 3.44Å; F262-C328 HydrophobicContact CB-CB 4.34Å; F262-C328 WeakPolarHBondContact CB-O 3Å; F262-C328 HydrophobicContact CD2-CB 4.06Å; T263-C328 PolarHBondContact N-O 3.24Å; T263-C328 WeakPolarHBondContact O-CB 3.28Å; Y265-C328 HydrophobicContact CE2-CB 4.41Å; I321-C328 HydrophobicContact CD1-CB 4.38Å; D326-C328 PolarHBondContact O-N 3.35Å; C328-I330 VanDerWaalsContact C-N 3.3Å; C328-I330 PolarHBondContact O-N 3.39Å
329	S	98.5	Very high	98.7	Very high	49 Å²	49	29.3 Å²	29.3	34%	0.343	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	64.9	24.3	-174.7	-50.5	0	0	0	0	115.2	G261 D326 E327 E331 S332	G261-S329 VanDerWaalsContact O-O 3.14Å; D326-S329 WeakPolarHBondContact O-CA 3.23Å; D326-S329 PolarHBondContact O-N 3.37Å; D326-S329 WeakPolarHBondContact OD1-CA 3.05Å; E327-S329 PolarHBondContact O-N 3.28Å; E327-S329 VanDerWaalsContact O-N 3.09Å; S329-E331 PolarHBondContact O-N 2.92Å; S329-S332 WeakPolarHBondContact O-CB 3.35Å; S329-S332 PolarHBondContact O-N 3.42Å
330	I	98.8	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.5	-176.8	-171	63.2	0	0	0	114.7	A260 F262 I289 I291 I305 I321 D326 E327 C328	A260-I330 HydrophobicContact CB-CD1 4.42Å; F262-I330 HydrophobicContact CB-CB 4.2Å; F262-I330 HydrophobicContact CB-CD1 3.76Å; F262-I330 HydrophobicContact CD1-CD1 4.33Å; F262-I330 HydrophobicContact CG-CD1 4.2Å; I289-I330 HydrophobicContact CD1-CD1 4Å; I289-I330 HydrophobicContact CG1-CD1 4.2Å; I291-I330 HydrophobicContact CD1-CD1 4.49Å; I291-I330 HydrophobicContact CD1-CG1 4.4Å; I305-I330 HydrophobicContact CD1-CD1 3.73Å; I305-I330 HydrophobicContact CD1-CG1 4.15Å; I321-I330 HydrophobicContact CD1-CB 4.35Å; I321-I330 HydrophobicContact CG2-CG1 3.99Å; D326-I330 PolarHBondContact OD1-N 2.89Å; E327-I330 HydrophobicContact CB-CG2 4.42Å; E327-I330 VanDerWaalsContact O-CB 3.23Å; E327-I330 WeakPolarHBondContact O-CB 3.45Å; E327-I330 WeakPolarHBondContact O-CG2 3.14Å; E327-I330 PolarHBondContact O-N 2.76Å; C328-I330 VanDerWaalsContact C-N 3.3Å; C328-I330 PolarHBondContact O-N 3.39Å
331	E	98.9	Very high	98.4	Very high	7 Å²	7	34 Å²	34	3%	0.033	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-13	-179.3	-69.2	155.2	-166.1	0	0	112.1	N243 I248 W303 G324 D326 S329	N243-E331 VanDerWaalsContact OD1-CB 3.25Å; N243-E331 WeakPolarHBondContact OD1-CB 3.35Å; I248-E331 HydrophobicContact CD1-CB 3.7Å; I248-E331 HydrophobicContact CD1-CG 3.7Å; W303-E331 HydrophobicContact CZ2-CG 4.21Å; W303-E331 PolarHBondContact NE1-OE1 2.71Å; G324-E331 PolarHBondContact N-OE1 2.9Å; D326-E331 HydrophobicContact CB-CB 4.3Å; D326-E331 PolarHBondContact N-OE2 3.4Å; D326-E331 VanDerWaalsContact N-OE2 3.09Å; D326-E331 WeakPolarHBondContact OD1-CA 3.37Å; D326-E331 WeakPolarHBondContact OD1-CB 3.39Å; D326-E331 PolarHBondContact OD1-N 2.87Å; S329-E331 PolarHBondContact O-N 2.92Å
332	S	98.6	Very high	98.4	Very high	50 Å²	50	35.8 Å²	35.8	35%	0.35	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-35.7	-175.7	-84.6	0	0	0	0	115.2	N243 D326 S329	N243-S332 PolarHBondContact ND2-OG 3.46Å; D326-S332 PolarHBondContact OD1-N 3.32Å; D326-S332 VanDerWaalsContact OD1-N 3.08Å; D326-S332 PolarHBondContact OD2-OG 3.07Å; S329-S332 WeakPolarHBondContact O-CB 3.35Å; S329-S332 PolarHBondContact O-N 3.42Å
333	E	98.2	Very high	98.4	Very high	17 Å²	17	36.9 Å²	36.9	8%	0.079	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	31.1	-172	-148.8	168.7	179.6	0	0	114.3	R67 E68 L163 T335	R67-E333 WeakPolarHBondContact CA-OE2 3.38Å; E68-E333 PolarHBondContact N-OE1 2.92Å; L163-E333 HydrophobicContact CD2-CG 4.44Å; L163-E333 WeakPolarHBondContact CD2-O 3.43Å; E333-T335 PolarHBondContact O-N 3.14Å; E333-T335 PolarHBondContact O-OG1 3.19Å
334	V	98.9	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.			trans	-62.9	126.3	175.8	-175.4	0	0	0	0	110.6	R73 V241 I248 V258 E259 A260	R73-V334 PolarHBondContact NH2-O 3.11Å; V241-V334 HydrophobicContact CB-CB 4Å; V241-V334 HydrophobicContact CB-CG1 3.79Å; V241-V334 HydrophobicContact CG2-CB 4.47Å; V241-V334 HydrophobicContact CG2-CG1 3.78Å; V241-V334 PolarHBondContact N-O 3.02Å; I248-V334 HydrophobicContact CD1-CG2 3.68Å; I248-V334 HydrophobicContact CG1-CB 4.34Å; I248-V334 HydrophobicContact CG1-CG1 4.39Å; I248-V334 HydrophobicContact CG1-CG2 3.96Å; I248-V334 HydrophobicContact CG2-CG1 4.46Å; I248-V334 HydrophobicContact CG2-CG2 4.46Å; V258-V334 HydrophobicContact CB-CG1 3.81Å; V258-V334 HydrophobicContact CG1-CG1 4.3Å; V258-V334 HydrophobicContact CG2-CG1 3.56Å; E259-V334 CarbonylContact O-C 3.48Å; E259-V334 WeakPolarHBondContact O-CA 3.42Å; A260-V334 HydrophobicContact CB-CG2 3.92Å
335	T	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.9	-172.6	-52.7	0	0	0	0	109.9	R73 W167 E259 E333	R73-T335 PolarHBondContact NH1-OG1 2.97Å; R73-T335 VanDerWaalsContact NH1-OG1 3.08Å; W167-T335 HydrophobicContact CB-CG2 4.28Å; W167-T335 VanDerWaalsContact CD1-CG2 3.42Å; W167-T335 HydrophobicContact CD2-CG2 4.49Å; W167-T335 HydrophobicContact CG-CG2 3.82Å; E259-T335 PolarHBondContact N-O 2.85Å; E259-T335 VanDerWaalsContact N-O 3.11Å; E259-T335 PolarHBondContact O-N 3.23Å; E333-T335 PolarHBondContact O-N 3.14Å; E333-T335 PolarHBondContact O-OG1 3.19Å
336	A	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-175.6	-175.7	0	0	0	0	0	112.3	W167 S238 Y239 V241 V258	W167-A336 HydrophobicContact CH2-CB 4.45Å; W167-A336 VanDerWaalsContact CZ3-C 3.44Å; S238-A336 WeakPolarHBondContact CA-O 3.43Å; Y239-A336 HydrophobicContact CD2-CB 4.31Å; Y239-A336 HydrophobicContact CE2-CB 3.73Å; Y239-A336 PolarHBondContact N-O 3.49Å; Y239-A336 PolarHBondContact O-N 3.19Å; Y239-A336 VanDerWaalsContact O-O 3.11Å; V241-A336 HydrophobicContact CG2-CB 4.4Å; V258-A336 HydrophobicContact CB-CB 4.49Å; V258-A336 HydrophobicContact CG1-CB 3.96Å
337	G	98.8	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	172	-179.7	0	0	0	0	0	112	R129 S237	R129-G337 WeakPolarHBondContact CD-O 3.38Å; R129-G337 PolarHBondContact NH1-O 3.22Å; S237-G337 CarbonylContact O-C 3.43Å; S237-G337 WeakPolarHBondContact O-CA 3.37Å
338	R	98.8	Very high	98.3	Very high	70 Å²	70	25 Å²	25	26%	0.264	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.3	-179.2	-72.8	165.1	56.3	176.9	0.4	111.8	K236 S237 Y239 Y255 N340	K236-R338 WeakPolarHBondContact CA-O 3.46Å; K236-R338 WeakPolarHBondContact CB-O 3.3Å; K236-R338 PolarHBondContact N-O 2.71Å; S237-R338 PolarHBondContact N-O 2.96Å; S237-R338 VanDerWaalsContact N-O 3.1Å; S237-R338 PolarHBondContact O-N 3.04Å; Y239-R338 HydrophobicContact CE1-CG 4.01Å; Y239-R338 WeakPolarHBondContact OH-CD 3.48Å; Y239-R338 WeakPolarHBondContact OH-CG 3.29Å; Y255-R338 HydrophobicContact CD1-CG 4.31Å; Y255-R338 PolarHBondContact OH-NH1 3.39Å; R338-N340 PolarHBondContact NE-O 3.48Å; R338-N340 PolarHBondContact NH2-O 3.38Å
339	I	98.3	Very high	98.3	Very high	28 Å²	28	26 Å²	26	14%	0.144	14%	0.142	C	C	.	.			trans	-86.6	-15.1	172.2	73.7	-179.2	0	0	0	112.8	Q133 W170 K236	Q133-I339 HydrophobicContact CB-CD1 3.73Å; Q133-I339 HydrophobicContact CB-CG1 3.68Å; W170-I339 HydrophobicContact CH2-CG2 3.61Å; W170-I339 HydrophobicContact CZ2-CG2 3.66Å; K236-I339 WeakPolarHBondContact CB-O 3.44Å
340	N	94.4	Very high	98.3	Very high	91 Å²	91	23.9 Å²	23.9	49%	0.487	12%	0.123	S	C	.	.			trans	-144.9	0	-178	50.5	51.4	0	0	0	114.6	Q133 K236 R338	Q133-N340 PolarHBondContact O-ND2 3.34Å; K236-N340 VanDerWaalsContact CD-OXT 3.28Å; K236-N340 WeakPolarHBondContact CD-OXT 3.4Å; K236-N340 WeakPolarHBondContact CE-OXT 3.47Å; K236-N340 PolarHBondContact NZ-OXT 3.44Å; R338-N340 PolarHBondContact NE-O 3.48Å; R338-N340 PolarHBondContact NH2-O 3.38Å

Retrieved 340 of 340 residues in 90.5 ms (Link to these results)

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