A0A087XWK3_POEFO Loading...

Large ribosomal subunit protein uL3

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession A0A087XWK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 aa.

Structure Viewer

Loading PAE data...

(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	62.5	Low	92.7	Very high	249 Å²	249	138.8 Å²	138.8	100%	1.227	70%	0.703	S	S	*	*				0	127.5	0	-78.4	-149	-76.4	0	0	108.4
2	S	88	Confident	93.1	Very high	109 Å²	109	129.8 Å²	129.8	76%	0.762	67%	0.67	S	S	*	*			trans	-85.9	-128.4	-178.6	57.6	0	0	0	0	110.8
3	H	92.6	Very high	93.5	Very high	156 Å²	156	124 Å²	124	72%	0.722	65%	0.648	S	S	*	*	S	Bend	trans	-70.1	164.4	178.6	68.2	-83.9	0	0	0	112	K5	H3-K5 PolarHBondContact O-N 2.95Å
4	R	94.8	Very high	93.8	Very high	167 Å²	167	118.7 Å²	118.7	63%	0.63	62%	0.621	S	S	*	*			trans	-68.5	118.7	178.3	-173	-176.1	175.3	-175.4	-2.5	110.1	F6 A8	R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 VanDerWaalsContact CD-O 3.27Å; R4-F6 WeakPolarHBondContact CD-O 3.48Å; R4-F6 WeakPolarHBondContact CG-O 3.5Å; R4-F6 PolarHBondContact NE-O 2.85Å; R4-F6 PolarHBondContact O-N 3.39Å; R4-A8 PolarHBondContact NH1-O 2.99Å
5	K	96.6	Very high	94	Very high	177 Å²	177	115.5 Å²	115.5	77%	0.77	63%	0.628	S	S	*	*	S	Bend	trans	-53.8	-37.4	-177.9	-172.6	171.9	-177.7	172	0	115.1	H3	H3-K5 PolarHBondContact O-N 2.95Å
6	F	97.6	Very high	94.3	Very high	153 Å²	153	114.7 Å²	114.7	67%	0.671	62%	0.617	S	S	*	*	S	Bend	trans	-126.9	127.8	178.5	-61	-75.3	0	0	0	111	R4	R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 VanDerWaalsContact CD-O 3.27Å; R4-F6 WeakPolarHBondContact CD-O 3.48Å; R4-F6 WeakPolarHBondContact CG-O 3.5Å; R4-F6 PolarHBondContact NE-O 2.85Å; R4-F6 PolarHBondContact O-N 3.39Å
7	S	97.4	Very high	94.4	Very high	125 Å²	125	111.3 Å²	111.3	87%	0.874	60%	0.598	S	S	*	*			trans	-65.2	141.5	174.4	-173.3	0	0	0	0	111
8	A	97.6	Very high	94.5	Very high	45 Å²	45	110.2 Å²	110.2	37%	0.372	60%	0.598	S	S	.	*			trans	-156.1	151.2	166.6	0	0	0	0	0	110.1	R4	R4-A8 PolarHBondContact NH1-O 2.99Å
9	P	98.1	Very high	94.6	Very high	116 Å²	116	106.6 Å²	106.6	75%	0.753	58%	0.575	S	S	*	*			trans	-64.6	159.8	-179.9	28	-35.9	0	0	0	112.1
10	R	97.1	Very high	94.8	Very high	133 Å²	133	107.8 Å²	107.8	50%	0.502	57%	0.574	S	S	.	*			trans	-68	149	176	76.5	-180	-55.4	106.2	12.9	111.8	G12 S265	R10-G12 PolarHBondContact NE-O 3.45Å; R10-G12 PolarHBondContact O-N 2.99Å; R10-S265 PolarHBondContact NH2-O 2.68Å; R10-S265 VanDerWaalsContact NH2-O 3.11Å
11	H	97.9	Very high	95	Very high	97 Å²	97	110.1 Å²	110.1	45%	0.449	58%	0.575	S	S	.	*	S	Bend	trans	-81.3	110.8	170.3	-71.5	-68.5	0	0	0	111.5	W235 H236 T237	H11-W235 VanDerWaalsContact O-CE3 3.32Å; H11-H236 PolarHBondContact CE1-O 3.19Å; H11-H236 PolarHBondContact ND1-O 3.47Å; H11-T237 HydrophobicContact CB-CG2 4.36Å
12	G	96.8	Very high	96.7	Very high	30 Å²	30	99.3 Å²	99.3	31%	0.309	52%	0.524	S	S	.	.	S	Bend	trans	79.7	152.4	173.3	0	0	0	0	0	115.1	R10	R10-G12 PolarHBondContact NE-O 3.45Å; R10-G12 PolarHBondContact O-N 2.99Å
13	S	98.1	Very high	97.1	Very high	55 Å²	55	105.9 Å²	105.9	39%	0.385	53%	0.532	S	S	.	.			trans	-83.2	136.6	179.4	166.1	0	0	0	0	112.5	G15	S13-G15 PolarHBondContact OG-N 3.01Å
14	L	97.8	Very high	97.3	Very high	50 Å²	50	104.7 Å²	104.7	26%	0.262	52%	0.521	S	S	.	.	S	Bend	trans	-80.3	-21.8	174.6	-60.4	-179.3	0	0	0	112.8	F16 L17 F264	L14-F16 PolarHBondContact O-N 2.78Å; L14-L17 HydrophobicContact CB-CD1 4.37Å; L14-L17 HydrophobicContact CD2-CD1 3.61Å; L14-L17 HydrophobicContact CD2-CG 4.45Å; L14-L17 WeakPolarHBondContact O-CB 3.31Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-F264 HydrophobicContact CD1-CE2 4.2Å
15	G	98	Very high	97.4	Very high	71 Å²	71	100.5 Å²	100.5	73%	0.732	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11	176.5	0	0	0	0	0	114	S13	S13-G15 PolarHBondContact OG-N 3.01Å
16	F	97.6	Very high	97.4	Very high	102 Å²	102	94.5 Å²	94.5	45%	0.447	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	11.6	173.5	-63.2	-66.4	0	0	0	113.9	L14 P18 R19 R277	L14-F16 PolarHBondContact O-N 2.78Å; F16-P18 CarbonylContact O-C 3.56Å; F16-R19 WeakPolarHBondContact O-CG 3.5Å; F16-R277 VanDerWaalsContact CD1-CZ 3.49Å
17	L	96.3	Very high	97.4	Very high	57 Å²	57	87.2 Å²	87.2	30%	0.298	45%	0.449	S	S	.	.			trans	-76	146.7	161.9	-69.3	176.6	0	0	0	109.6	L14 R19 W235 F264	L14-L17 HydrophobicContact CB-CD1 4.37Å; L14-L17 HydrophobicContact CD2-CD1 3.61Å; L14-L17 HydrophobicContact CD2-CG 4.45Å; L14-L17 WeakPolarHBondContact O-CB 3.31Å; L14-L17 PolarHBondContact O-N 2.92Å; L17-R19 HydrophobicContact CD2-CB 4.45Å; L17-R19 HydrophobicContact CD2-CG 4.13Å; L17-W235 HydrophobicContact CD2-CH2 3.95Å; L17-W235 HydrophobicContact CD2-CZ2 4.11Å; L17-W235 HydrophobicContact CG-CH2 4.47Å; L17-F264 HydrophobicContact CD1-CD2 3.95Å; L17-F264 HydrophobicContact CD1-CE2 4.44Å
18	P	96.7	Very high	97.4	Very high	91 Å²	91	85.8 Å²	85.8	59%	0.591	43%	0.427	S	S	*	.	S	Bend	cis	-74.3	133.9	-5	29.7	-34.7	0	0	0	113	F16 K20	F16-P18 CarbonylContact O-C 3.56Å; P18-K20 HydrophobicContact CB-CD 4.32Å; P18-K20 HydrophobicContact CB-CG 4.3Å; P18-K20 HydrophobicContact CG-CD 4.17Å; P18-K20 HydrophobicContact CG-CG 4.28Å; P18-K20 PolarHBondContact O-N 3.4Å
19	R	96.9	Very high	97.3	Very high	43 Å²	43	84.2 Å²	84.2	16%	0.162	41%	0.414	C	S	.	.			trans	-81.6	63.4	174.6	-74.2	179.3	178.6	-154.4	-1.3	112.1	F16 L17 R234 W235	F16-R19 WeakPolarHBondContact O-CG 3.5Å; L17-R19 HydrophobicContact CD2-CB 4.45Å; L17-R19 HydrophobicContact CD2-CG 4.13Å; R19-R234 PolarHBondContact NH1-O 3.23Å; R19-R234 PolarHBondContact O-NH2 2.88Å; R19-R234 VanDerWaalsContact O-NH2 3.07Å; R19-W235 VanDerWaalsContact CZ-CZ3 3.43Å
20	K	97.5	Very high	97.3	Very high	130 Å²	130	86.1 Å²	86.1	57%	0.565	41%	0.41	S	S	*	.			trans	-109.7	168.8	178.4	66.5	-177.5	178.3	-173.3	0	112.6	P18 S22 H275	P18-K20 HydrophobicContact CB-CD 4.32Å; P18-K20 HydrophobicContact CB-CG 4.3Å; P18-K20 HydrophobicContact CG-CD 4.17Å; P18-K20 HydrophobicContact CG-CG 4.28Å; P18-K20 PolarHBondContact O-N 3.4Å; K20-S22 PolarHBondContact O-N 3.48Å; K20-H275 PolarHBondContact O-CE1 2.76Å; K20-H275 PolarHBondContact O-ND1 3.17Å
21	R	98.4	Very high	97.3	Very high	157 Å²	157	82.9 Å²	82.9	59%	0.592	41%	0.408	S	S	*	.			trans	-61.1	135.1	172.2	-72.3	-179.2	69.3	179.9	0.4	109.7	R23 Q271 Y274	R21-R23 PolarHBondContact O-N 3.12Å; R21-Q271 HydrophobicContact CG-CG 3.83Å; R21-Y274 CarbonylContact C-O 3.55Å; R21-Y274 HydrophobicContact CB-CD1 3.86Å; R21-Y274 HydrophobicContact CG-CD1 4.1Å
22	S	98.1	Very high	97.3	Very high	22 Å²	22	79.5 Å²	79.5	15%	0.154	39%	0.392	C	S	.	.			trans	-60.9	131.1	171	-179.8	0	0	0	0	109.6	K20 R24 Y274	K20-S22 PolarHBondContact O-N 3.48Å; S22-R24 VanDerWaalsContact C-N 3.27Å; S22-R24 WeakPolarHBondContact CB-O 3.49Å; S22-R24 PolarHBondContact O-N 2.92Å; S22-R24 PolarHBondContact OG-N 3.26Å; S22-R24 PolarHBondContact OG-O 2.94Å; S22-Y274 WeakPolarHBondContact CB-O 3.15Å; S22-Y274 PolarHBondContact N-O 3.48Å; S22-Y274 WeakPolarHBondContact O-CE1 3.3Å
23	R	97.4	Very high	97.4	Very high	246 Å²	246	78.9 Å²	78.9	93%	0.928	38%	0.383	S	S	*	.	S	Bend	trans	-67.6	-30.3	175.6	-66.7	179.8	71.1	-176.8	3.6	112	R21	R21-R23 PolarHBondContact O-N 3.12Å
24	R	96	Very high	97.3	Very high	131 Å²	131	85.8 Å²	85.8	49%	0.494	41%	0.406	S	S	.	.			trans	-99.8	140.8	177.4	-62.6	-176.8	-179.2	-159.4	-2.3	109.5	S22 R26 V222	S22-R24 VanDerWaalsContact C-N 3.27Å; S22-R24 WeakPolarHBondContact CB-O 3.49Å; S22-R24 PolarHBondContact O-N 2.92Å; S22-R24 PolarHBondContact OG-N 3.26Å; S22-R24 PolarHBondContact OG-O 2.94Å; R24-R26 WeakPolarHBondContact CB-O 3.25Å; R24-V222 WeakPolarHBondContact O-CG2 3.19Å
25	H	97	Very high	97.3	Very high	80 Å²	80	85.7 Å²	85.7	37%	0.37	41%	0.406	S	S	.	.	S	Bend	trans	-77.8	-39	171.5	-171.5	78.1	0	0	0	111.9	V222 Y274 R343	H25-V222 VanDerWaalsContact O-CG2 3.26Å; H25-V222 WeakPolarHBondContact O-CG2 3.49Å; H25-Y274 AromaticContact ND1-CZ 3.95Å; H25-Y274 PolarHBondContact ND1-OH 2.77Å; H25-R343 PolarHBondContact CE1-NH1 3.45Å
26	R	97.4	Very high	97.2	Very high	50 Å²	50	84.8 Å²	84.8	19%	0.189	38%	0.384	C	S	.	.	S	Bend	trans	-78.6	143.1	173.6	-174.4	175.7	68.3	82.1	-13.4	110.9	R24 K28 L47 L180 M181 V344	R24-R26 WeakPolarHBondContact CB-O 3.25Å; R26-K28 PolarHBondContact O-N 3.47Å; R26-L47 HydrophobicContact CG-CD2 4.38Å; R26-L180 VanDerWaalsContact CZ-O 3.26Å; R26-L180 PolarHBondContact NE-O 3.01Å; R26-L180 PolarHBondContact NH2-O 3.29Å; R26-M181 VanDerWaalsContact CZ-CB 3.41Å; R26-M181 VanDerWaalsContact NH2-CB 3.35Å; R26-V344 HydrophobicContact CB-CG1 4.11Å; R26-V344 HydrophobicContact CG-CG1 4.19Å; R26-V344 HydrophobicContact CG-CG2 4.49Å
27	G	96.4	Very high	97.2	Very high	0 Å²	0	84 Å²	84	0%	0	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.2	124.1	168.7	0	0	0	0	0	111.2	T346	G27-T346 PolarHBondContact O-OG1 2.98Å
28	K	97.8	Very high	97.3	Very high	96 Å²	96	86.1 Å²	86.1	42%	0.417	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-86.2	126.4	170.9	-170.1	-168.7	-177.5	-175.4	0	108.5	R26 K30 H276	R26-K28 PolarHBondContact O-N 3.47Å; K28-K30 PolarHBondContact O-N 3.08Å; K28-H276 PolarHBondContact N-NE2 2.79Å; K28-H276 PolarHBondContact O-NE2 3.48Å
29	A	96.9	Very high	97.3	Very high	11 Å²	11	87 Å²	87	9%	0.091	40%	0.403	C	S	.	.			trans	-66.6	107.8	160	0	0	0	0	0	108	F32 I220	A29-F32 HydrophobicContact CB-CD1 4.5Å; A29-F32 HydrophobicContact CB-CE1 3.91Å; A29-F32 HydrophobicContact CB-CE2 4.3Å; A29-F32 HydrophobicContact CB-CZ 3.8Å; A29-I220 HydrophobicContact CB-CD1 4.16Å
30	K	97.1	Very high	97.3	Very high	156 Å²	156	90 Å²	90	68%	0.678	43%	0.428	S	S	*	.	S	Bend	trans	-80.8	-27.1	-179.7	-68.5	-175.4	-179.6	179.9	0	112.4	K28	K28-K30 PolarHBondContact O-N 3.08Å
31	S	97.8	Very high	97.3	Very high	65 Å²	65	85.2 Å²	85.2	46%	0.455	41%	0.41	S	S	.	.	S	Bend	trans	-136.2	142.9	176.3	-44.1	0	0	0	0	107.5	R348	S31-R348 VanDerWaalsContact O-CD 3.23Å; S31-R348 WeakPolarHBondContact O-CD 3.28Å; S31-R348 PolarHBondContact O-NH1 3.07Å
32	F	98.1	Very high	97.3	Very high	27 Å²	27	80.3 Å²	80.3	12%	0.118	39%	0.393	C	S	.	.			trans	-104.2	162.1	169.2	-72.5	-81.1	0	0	0	109.1	A29 T44 A45 E182 Q184 L351	A29-F32 HydrophobicContact CB-CD1 4.5Å; A29-F32 HydrophobicContact CB-CE1 3.91Å; A29-F32 HydrophobicContact CB-CE2 4.3Å; A29-F32 HydrophobicContact CB-CZ 3.8Å; F32-T44 VanDerWaalsContact CD1-OG1 3.31Å; F32-T44 WeakPolarHBondContact CD1-OG1 3.26Å; F32-A45 HydrophobicContact CE1-CB 4.09Å; F32-E182 WeakPolarHBondContact CZ-O 3.45Å; F32-Q184 HydrophobicContact CB-CB 3.9Å; F32-Q184 HydrophobicContact CB-CG 4.41Å; F32-Q184 HydrophobicContact CD1-CB 3.79Å; F32-Q184 HydrophobicContact CD2-CB 3.9Å; F32-Q184 HydrophobicContact CE1-CB 4.26Å; F32-Q184 HydrophobicContact CE2-CB 4.36Å; F32-Q184 HydrophobicContact CG-CB 3.59Å; F32-L351 VanDerWaalsContact C-CD2 3.4Å; F32-L351 WeakPolarHBondContact O-CD2 3.27Å
33	P	97.9	Very high	97.3	Very high	16 Å²	16	79.8 Å²	79.8	10%	0.104	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-53	147.3	172.5	-23	33.2	0	0	0	111.2	D35 T44 N186 K349 L351	P33-D35 PolarHBondContact O-N 3.46Å; P33-T44 HydrophobicContact CG-CG2 4.12Å; P33-N186 PolarHBondContact O-ND2 2.99Å; P33-K349 HydrophobicContact CG-CB 3.9Å; P33-L351 HydrophobicContact CB-CD2 4.48Å; P33-L351 HydrophobicContact CG-CD2 4.28Å
34	K	96.9	Very high	97.4	Very high	201 Å²	201	68 Å²	68	87%	0.874	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-61.4	138.5	174.5	-168.2	179	177.8	-173.7	0	108.7	N186	K34-N186 PolarHBondContact O-ND2 3.38Å; K34-N186 VanDerWaalsContact O-ND2 3.15Å
35	D	97.3	Very high	97.5	Very high	48 Å²	48	61.9 Å²	61.9	26%	0.257	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-80.3	149.7	-179.7	-173.5	28.4	0	0	0	111.1	P33 N186 G187 K193	P33-D35 PolarHBondContact O-N 3.46Å; D35-N186 WeakPolarHBondContact OD1-CA 3.47Å; D35-N186 WeakPolarHBondContact OD1-CB 2.99Å; D35-G187 PolarHBondContact OD1-N 2.91Å; D35-K193 IonicContact OD1-NZ 2.94Å; D35-K193 PolarHBondContact OD1-NZ 2.89Å; D35-K193 VanDerWaalsContact OD1-NZ 3.17Å; D35-K193 IonicContact OD2-NZ 3.39Å; D35-K193 PolarHBondContact OD2-NZ 3.25Å
36	D	96.3	Very high	97.6	Very high	52 Å²	52	58.2 Å²	58.2	28%	0.278	31%	0.305	S	S	.	.			trans	-149	97.1	-172.7	177	0.6	0	0	0	108.4	S38 K39 G187	D36-S38 PolarHBondContact O-N 2.81Å; D36-S38 VanDerWaalsContact O-N 3.09Å; D36-S38 WeakPolarHBondContact OD1-CB 3.36Å; D36-S38 PolarHBondContact OD1-N 2.9Å; D36-S38 PolarHBondContact OD1-OG 3.4Å; D36-K39 HydrophobicContact CB-CD 4.23Å; D36-K39 PolarHBondContact O-N 3.1Å; D36-K39 WeakPolarHBondContact OD2-CD 3.37Å; D36-K39 WeakPolarHBondContact OD2-CE 3.47Å; D36-K39 IonicContact OD2-NZ 2.66Å; D36-K39 PolarHBondContact OD2-NZ 3.02Å; D36-G187 WeakPolarHBondContact O-CA 3.43Å
37	P	96.8	Very high	97.7	Very high	85 Å²	85	55.8 Å²	55.8	55%	0.552	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-18.2	-173.4	-25.4	35.1	0	0	0	114.9	K39 G188	P37-K39 PolarHBondContact O-N 3.04Å; P37-G188 WeakPolarHBondContact O-CA 3.22Å; P37-G188 PolarHBondContact O-N 3.48Å; P37-G188 VanDerWaalsContact O-N 3.09Å
38	S	97.5	Very high	97.8	Very high	102 Å²	102	55.8 Å²	55.8	71%	0.713	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-21	178.8	69.9	0	0	0	0	113.5	D36	D36-S38 PolarHBondContact O-N 2.81Å; D36-S38 VanDerWaalsContact O-N 3.09Å; D36-S38 WeakPolarHBondContact OD1-CB 3.36Å; D36-S38 PolarHBondContact OD1-N 2.9Å; D36-S38 PolarHBondContact OD1-OG 3.4Å
39	K	96.9	Very high	97.8	Very high	108 Å²	108	51.3 Å²	51.3	47%	0.47	28%	0.276	S	S	.	.	S	Bend	trans	-86.1	155.2	-179.3	-71	175.9	-179.2	140.5	0	111.1	D36 P37 G187 G188	D36-K39 HydrophobicContact CB-CD 4.23Å; D36-K39 PolarHBondContact O-N 3.1Å; D36-K39 WeakPolarHBondContact OD2-CD 3.37Å; D36-K39 WeakPolarHBondContact OD2-CE 3.47Å; D36-K39 IonicContact OD2-NZ 2.66Å; D36-K39 PolarHBondContact OD2-NZ 3.02Å; P37-K39 PolarHBondContact O-N 3.04Å; K39-G187 CarbonylContact O-C 3.6Å; K39-G187 WeakPolarHBondContact O-CA 3.36Å; K39-G188 PolarHBondContact O-N 2.68Å
40	P	97.8	Very high	97.9	Very high	106 Å²	106	51.9 Å²	51.9	69%	0.688	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-61.4	151.7	171.4	26.9	-35.2	0	0	0	111.3	H42	P40-H42 PolarHBondContact O-N 2.94Å; P40-H42 PolarHBondContact O-ND1 3.29Å
41	V	98.4	Very high	98	Very high	30 Å²	30	44.4 Å²	44.4	18%	0.182	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-60.2	125.3	176.8	-177.3	0	0	0	0	109.6	L185 N186 G187 D192 K193 W196	V41-L185 HydrophobicContact CG1-CB 4.48Å; V41-L185 HydrophobicContact CG1-CD2 4.32Å; V41-N186 CarbonylContact C-O 3.2Å; V41-N186 VanDerWaalsContact CA-O 3.32Å; V41-N186 WeakPolarHBondContact CA-O 3.01Å; V41-G187 WeakPolarHBondContact CG2-O 3.3Å; V41-D192 HydrophobicContact CG2-CB 3.91Å; V41-K193 HydrophobicContact CG1-CG 4.17Å; V41-K193 HydrophobicContact CG2-CG 4.26Å; V41-W196 HydrophobicContact CB-CB 4.4Å; V41-W196 HydrophobicContact CB-CG 4.17Å; V41-W196 HydrophobicContact CG1-CB 3.83Å; V41-W196 HydrophobicContact CG1-CD2 3.94Å; V41-W196 HydrophobicContact CG1-CG 3.6Å
42	H	98.2	Very high	98	Very high	54 Å²	54	41.4 Å²	41.4	25%	0.25	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.2	-179.5	63.7	-79.2	0	0	0	112.7	P40 N186	P40-H42 PolarHBondContact O-N 2.94Å; P40-H42 PolarHBondContact O-ND1 3.29Å; H42-N186 PolarHBondContact N-O 3.09Å; H42-N186 PolarHBondContact ND1-O 3.41Å; H42-N186 PolarHBondContact O-N 2.86Å
43	L	98.3	Very high	98	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	147.4	174	-70.6	167.6	0	0	0	111.5	V162 V183 L185 W196 V205 V210	L43-V162 HydrophobicContact CD2-CG2 3.45Å; L43-V162 VanDerWaalsContact CD2-CG2 3.45Å; L43-V183 HydrophobicContact CB-CG1 4.11Å; L43-V183 HydrophobicContact CD2-CB 3.89Å; L43-V183 HydrophobicContact CD2-CG1 3.6Å; L43-V183 HydrophobicContact CG-CG1 4.43Å; L43-L185 HydrophobicContact CD2-CD2 3.46Å; L43-L185 VanDerWaalsContact CD2-CD2 3.46Å; L43-L185 HydrophobicContact CG-CD2 4.02Å; L43-W196 HydrophobicContact CD1-CH2 3.84Å; L43-W196 HydrophobicContact CD2-CH2 4.22Å; L43-W196 HydrophobicContact CD2-CZ3 4.26Å; L43-W196 HydrophobicContact CG-CH2 3.8Å; L43-W196 HydrophobicContact CG-CZ3 4.33Å; L43-V205 HydrophobicContact CD1-CB 4.33Å; L43-V205 HydrophobicContact CD1-CG1 3.47Å; L43-V205 VanDerWaalsContact CD1-CG1 3.47Å; L43-V205 HydrophobicContact CD1-CG2 4.17Å; L43-V210 HydrophobicContact CB-CG1 4.04Å; L43-V210 HydrophobicContact CB-CG2 3.93Å; L43-V210 HydrophobicContact CD1-CG2 3.87Å
44	T	98.4	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.			trans	-108.2	-7.2	-174.3	55	0	0	0	0	114.6	F32 P33 Q184 N186 K349	F32-T44 VanDerWaalsContact CD1-OG1 3.31Å; F32-T44 WeakPolarHBondContact CD1-OG1 3.26Å; P33-T44 HydrophobicContact CG-CG2 4.12Å; T44-Q184 WeakPolarHBondContact CG2-O 3.23Å; T44-Q184 PolarHBondContact N-O 3.47Å; T44-Q184 PolarHBondContact OG1-O 2.96Å; T44-N186 HydrophobicContact CG2-CB 3.89Å; T44-K349 PolarHBondContact O-N 2.82Å
45	A	98.6	Very high	98.2	Very high	1 Å²	1	37 Å²	37	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158.2	-177	0	0	0	0	0	112.5	F32 M181 V183 L347 R348	F32-A45 HydrophobicContact CE1-CB 4.09Å; A45-M181 VanDerWaalsContact C-CE 3.41Å; A45-M181 HydrophobicContact CB-CE 3.37Å; A45-V183 HydrophobicContact CB-CG1 4.12Å; A45-V183 VanDerWaalsContact O-CG1 3.26Å; A45-V183 WeakPolarHBondContact O-CG1 3.4Å; A45-L347 CarbonylContact C-O 3.48Å; A45-L347 WeakPolarHBondContact CA-O 3.5Å; A45-L347 VanDerWaalsContact CB-O 3.23Å; A45-L347 WeakPolarHBondContact CB-O 3.48Å; A45-R348 HydrophobicContact CB-CB 4.31Å; A45-R348 HydrophobicContact CB-CG 4.29Å
46	F	98.8	Very high	98.2	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	167.2	179	-154.4	-98.4	0	0	0	111.1	T81 M84 V205 V207 V210 F211 T346 L347	F46-T81 HydrophobicContact CD1-CG2 4.03Å; F46-T81 HydrophobicContact CE1-CG2 4.15Å; F46-M84 HydrophobicContact CB-SD 4.42Å; F46-M84 HydrophobicContact CD1-CG 4.46Å; F46-M84 HydrophobicContact CD1-SD 3.92Å; F46-M84 HydrophobicContact CD2-CG 4.27Å; F46-M84 HydrophobicContact CD2-SD 3.64Å; F46-M84 HydrophobicContact CE1-CG 3.94Å; F46-M84 HydrophobicContact CE1-SD 4.01Å; F46-M84 HydrophobicContact CE2-CB 4Å; F46-M84 HydrophobicContact CE2-CG 3.76Å; F46-M84 HydrophobicContact CE2-SD 3.78Å; F46-M84 HydrophobicContact CG-SD 3.72Å; F46-M84 HydrophobicContact CZ-CB 4.1Å; F46-M84 HydrophobicContact CZ-CG 3.57Å; F46-M84 HydrophobicContact CZ-SD 3.96Å; F46-V205 HydrophobicContact CE2-CG1 4.46Å; F46-V205 WeakPolarHBondContact CE2-O 3.31Å; F46-V207 HydrophobicContact CD1-CB 4.23Å; F46-V207 HydrophobicContact CD1-CG2 4.02Å; F46-V207 HydrophobicContact CE1-CB 4.01Å; F46-V207 HydrophobicContact CE1-CG2 4.3Å; F46-V207 HydrophobicContact CE2-CB 4.45Å; F46-V207 HydrophobicContact CG-CG2 4.25Å; F46-V207 HydrophobicContact CZ-CB 4.11Å; F46-V210 HydrophobicContact CD2-CB 4.44Å; F46-V210 HydrophobicContact CD2-CG2 3.94Å; F46-V210 HydrophobicContact CE2-CG2 4.43Å; F46-F211 HydrophobicContact CB-CD2 4.39Å; F46-F211 HydrophobicContact CB-CE2 3.58Å; F46-F211 HydrophobicContact CB-CZ 4.39Å; F46-T346 WeakPolarHBondContact O-CA 3.37Å; F46-L347 PolarHBondContact N-O 2.65Å; F46-L347 PolarHBondContact O-N 2.98Å
47	L	98.8	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.7	173	-68.5	-178.8	0	0	0	110.9	R26 M84 T166 H179 M181 V344 L345 T346	R26-L47 HydrophobicContact CG-CD2 4.38Å; L47-M84 HydrophobicContact CB-CE 4.44Å; L47-M84 HydrophobicContact CB-SD 3.81Å; L47-M84 HydrophobicContact CD1-CE 4.37Å; L47-M84 HydrophobicContact CG-CE 4.23Å; L47-M84 HydrophobicContact CG-SD 4.21Å; L47-M84 PolarHBondContact N-SD 2.9Å; L47-T166 HydrophobicContact CB-CG2 3.44Å; L47-T166 VanDerWaalsContact CB-CG2 3.44Å; L47-T166 HydrophobicContact CD1-CG2 3.78Å; L47-T166 HydrophobicContact CG-CG2 4.24Å; L47-H179 HydrophobicContact CD1-CB 3.97Å; L47-M181 HydrophobicContact CD1-CB 4.12Å; L47-M181 HydrophobicContact CD1-CG 4.09Å; L47-M181 HydrophobicContact CD1-SD 4.03Å; L47-M181 HydrophobicContact CD2-CG 4.48Å; L47-M181 HydrophobicContact CD2-SD 3.38Å; L47-M181 WeakPolarHBondContact CD2-SD 3.24Å; L47-M181 HydrophobicContact CG-CE 4.37Å; L47-M181 HydrophobicContact CG-CG 4.1Å; L47-M181 HydrophobicContact CG-SD 3.45Å; L47-M181 WeakPolarHBondContact CG-SD 3.44Å; L47-V344 HydrophobicContact CD2-CG2 4.23Å; L47-L345 WeakPolarHBondContact CA-O 3.43Å; L47-T346 HydrophobicContact CD2-CG2 4.34Å; L47-T346 WeakPolarHBondContact CD2-OG1 3.45Å
48	G	98.6	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	173.7	173.9	0	0	0	0	0	112.3	E80 V344 L345	G48-E80 CarbonylContact C-O 3.6Å; G48-E80 VanDerWaalsContact CA-O 3.27Å; G48-E80 WeakPolarHBondContact CA-O 3.49Å; G48-V344 CarbonylContact O-C 3.6Å; G48-V344 WeakPolarHBondContact O-CA 3.36Å; G48-L345 PolarHBondContact N-O 2.56Å; G48-L345 PolarHBondContact O-N 2.92Å
49	Y	98.9	Very high	98.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.7	-177.9	-64.5	-93.5	0	0	0	109.9	A51 V79 E80 T166 M168 L171 L173 H179 R343 V344	Y49-A51 PolarHBondContact O-N 3.38Å; Y49-V79 CarbonylContact O-C 3.45Å; Y49-V79 WeakPolarHBondContact O-CA 3.37Å; Y49-E80 PolarHBondContact N-O 3.48Å; Y49-E80 PolarHBondContact O-N 2.54Å; Y49-T166 HydrophobicContact CE2-CG2 3.88Å; Y49-T166 WeakPolarHBondContact OH-CB 3.45Å; Y49-T166 PolarHBondContact OH-OG1 3.38Å; Y49-M168 HydrophobicContact CE1-CE 4.27Å; Y49-M168 HydrophobicContact CE1-SD 4.07Å; Y49-M168 PolarHBondContact OH-SD 3.34Å; Y49-L171 HydrophobicContact CD1-CD1 4.19Å; Y49-L171 HydrophobicContact CD2-CD1 3.37Å; Y49-L171 HydrophobicContact CD2-CD2 4.3Å; Y49-L171 HydrophobicContact CD2-CG 4.49Å; Y49-L171 HydrophobicContact CE1-CD1 4.16Å; Y49-L171 HydrophobicContact CE2-CD1 3.35Å; Y49-L171 HydrophobicContact CG-CD1 3.82Å; Y49-L173 HydrophobicContact CD1-CD1 3.89Å; Y49-L173 HydrophobicContact CE1-CD1 4.29Å; Y49-L173 HydrophobicContact CG-CD1 4.46Å; Y49-H179 AromaticContact CE1-CE1 3.94Å; Y49-H179 AromaticContact CE1-ND1 3.73Å; Y49-H179 AromaticContact CZ-ND1 3.67Å; Y49-H179 PolarHBondContact OH-ND1 2.92Å; Y49-R343 WeakPolarHBondContact CA-O 3.37Å; Y49-V344 HydrophobicContact CD1-CB 4.12Å; Y49-V344 HydrophobicContact CE1-CB 3.77Å; Y49-V344 HydrophobicContact CE1-CG2 4.08Å
50	K	98.8	Very high	98.3	Very high	22 Å²	22	23 Å²	23	10%	0.096	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	108.3	178.4	-177	176.1	179.2	175.6	0	110.1	T77 V337 G339 K341 K342 R343 L345	K50-T77 HydrophobicContact CD-CG2 4.38Å; K50-T77 HydrophobicContact CG-CG2 3.97Å; K50-V337 HydrophobicContact CD-CG2 3.9Å; K50-V337 HydrophobicContact CG-CG2 4.41Å; K50-V337 PolarHBondContact NZ-O 3.14Å; K50-G339 PolarHBondContact NZ-O 3.3Å; K50-K341 CarbonylContact O-C 3.52Å; K50-K341 WeakPolarHBondContact O-CA 3.2Å; K50-K342 PolarHBondContact O-N 3.07Å; K50-R343 PolarHBondContact N-O 3.17Å; K50-L345 HydrophobicContact CB-CD1 3.91Å; K50-L345 HydrophobicContact CB-CG 4.41Å
51	A	98.6	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-58	-179.9	0	0	0	0	0	111.1	Y49 I78 F320 Y323 V326	Y49-A51 PolarHBondContact O-N 3.38Å; A51-I78 HydrophobicContact CB-CB 4.46Å; A51-I78 HydrophobicContact CB-CG2 4.36Å; A51-I78 PolarHBondContact N-O 2.97Å; A51-F320 HydrophobicContact CB-CD2 4.35Å; A51-F320 HydrophobicContact CB-CG 4.49Å; A51-Y323 VanDerWaalsContact CA-CD2 3.49Å; A51-Y323 HydrophobicContact CB-CD1 3.7Å; A51-Y323 HydrophobicContact CB-CD2 4.17Å; A51-Y323 HydrophobicContact CB-CE1 3.64Å; A51-Y323 HydrophobicContact CB-CE2 4.11Å; A51-Y323 HydrophobicContact CB-CG 3.96Å; A51-Y323 WeakPolarHBondContact O-CB 3.46Å; A51-V326 HydrophobicContact CB-CG2 3.55Å
52	G	98.4	Very high	98	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-162.5	-177.1	0	0	0	0	0	112.4	T77 I78	G52-T77 WeakPolarHBondContact O-CG2 3.41Å; G52-I78 PolarHBondContact O-N 2.61Å
53	M	98.8	Very high	97.8	Very high	73 Å²	73	26.5 Å²	26.5	36%	0.36	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.3	176.5	-66.2	-176.5	68.1	0	0	109	A75 V76 T77 C336	M53-A75 HydrophobicContact CE-CB 4.43Å; M53-V76 WeakPolarHBondContact CA-O 3.43Å; M53-V76 WeakPolarHBondContact CB-O 3.49Å; M53-T77 HydrophobicContact CG-CG2 4.24Å; M53-C336 HydrophobicContact CE-CB 3.95Å; M53-C336 HydrophobicContact SD-CB 4.31Å
54	T	98.6	Very high	97.6	Very high	11 Å²	11	30.2 Å²	30.2	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	-171.4	168.7	-163.9	0	0	0	0	108.6	V76 I368 D369 K373	T54-V76 HydrophobicContact CG2-CG2 3.66Å; T54-V76 PolarHBondContact N-O 3.2Å; T54-V76 PolarHBondContact O-N 2.9Å; T54-V76 VanDerWaalsContact O-O 3.12Å; T54-I368 HydrophobicContact CG2-CG2 4.35Å; T54-D369 PolarHBondContact OG1-O 2.99Å; T54-K373 WeakPolarHBondContact OG1-CE 3.38Å
55	H	98.8	Very high	97.5	Very high	68 Å²	68	32.5 Å²	32.5	32%	0.315	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	159.2	169.2	64.4	-84.8	0	0	0	110.5	V73 E74 D369	H55-V73 HydrophobicContact CB-CG1 3.87Å; H55-E74 WeakPolarHBondContact CA-O 3.47Å; H55-D369 VanDerWaalsContact CE1-CB 3.44Å; H55-D369 WeakPolarHBondContact CE1-CB 3.38Å; H55-D369 IonicContact CE1-OD2 2.81Å; H55-D369 PolarHBondContact CE1-OD2 3.43Å; H55-D369 IonicContact ND1-OD2 3.58Å; H55-D369 PolarHBondContact ND1-OD2 2.74Å; H55-D369 IonicContact NE2-OD2 3.62Å; H55-D369 WeakPolarHBondContact O-CB 3.29Å; H55-D369 PolarHBondContact O-N 3.26Å; H55-D369 VanDerWaalsContact O-N 3.14Å
56	I	98.6	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	162	176.4	60.2	76	0	0	0	109.5	R58 V73 E74 V76 Y285 M332 L365 F367 I368	I56-R58 HydrophobicContact CD1-CB 3.97Å; I56-R58 HydrophobicContact CD1-CG 3.77Å; I56-V73 VanDerWaalsContact O-CA 3.31Å; I56-V73 WeakPolarHBondContact O-CA 3.43Å; I56-E74 HydrophobicContact CD1-CB 4.11Å; I56-E74 PolarHBondContact N-O 3.11Å; I56-E74 PolarHBondContact O-N 3.27Å; I56-V76 HydrophobicContact CG1-CG1 3.86Å; I56-V76 HydrophobicContact CG2-CG1 4.27Å; I56-V76 HydrophobicContact CG2-CG2 3.93Å; I56-Y285 HydrophobicContact CD1-CD2 4.22Å; I56-Y285 HydrophobicContact CD1-CE2 4.07Å; I56-Y285 HydrophobicContact CG1-CD2 4.09Å; I56-Y285 HydrophobicContact CG1-CE2 4.32Å; I56-M332 HydrophobicContact CG2-CE 4.07Å; I56-M332 HydrophobicContact CG2-SD 3.79Å; I56-L365 HydrophobicContact CB-CD2 4.3Å; I56-L365 HydrophobicContact CD1-CD2 3.85Å; I56-L365 HydrophobicContact CG1-CD2 3.96Å; I56-F367 CarbonylContact C-O 3.55Å; I56-F367 WeakPolarHBondContact CA-O 3.13Å; I56-F367 VanDerWaalsContact CB-O 3.3Å; I56-F367 WeakPolarHBondContact CB-O 2.96Å; I56-I368 HydrophobicContact CG2-CB 4.37Å; I56-I368 HydrophobicContact CG2-CG1 3.9Å; I56-I368 HydrophobicContact CG2-CG2 4.34Å
57	V	98.6	Very high	97.4	Very high	25 Å²	25	44 Å²	44	15%	0.152	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.9	161.6	-174.4	0	0	0	0	107.8	E71 V72 V73 K366 F367	V57-E71 HydrophobicContact CG1-CB 3.83Å; V57-E71 HydrophobicContact CG1-CG 4.24Å; V57-V72 WeakPolarHBondContact CA-O 3.25Å; V57-V73 HydrophobicContact CG2-CG2 4.21Å; V57-K366 PolarHBondContact O-N 2.86Å; V57-F367 HydrophobicContact CB-CB 3.87Å; V57-F367 HydrophobicContact CG2-CB 4.01Å; V57-F367 HydrophobicContact CG2-CD1 4.01Å; V57-F367 HydrophobicContact CG2-CG 4.46Å; V57-F367 PolarHBondContact N-O 3.35Å; V57-F367 PolarHBondContact O-N 2.95Å; V57-F367 VanDerWaalsContact O-N 3.17Å
58	R	97.4	Very high	97.3	Very high	1 Å²	1	46 Å²	46	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.9	169.9	65.2	172.4	-155.4	102.5	1.9	110.3	I56 R62 E71 V72 E74 E361 D364 L365	I56-R58 HydrophobicContact CD1-CB 3.97Å; I56-R58 HydrophobicContact CD1-CG 3.77Å; R58-R62 VanDerWaalsContact NH2-NH2 3.18Å; R58-E71 CarbonylContact O-C 3.55Å; R58-E71 WeakPolarHBondContact O-CA 3.35Å; R58-V72 HydrophobicContact CG-CG2 4.05Å; R58-V72 PolarHBondContact N-O 3.26Å; R58-V72 PolarHBondContact O-N 3.27Å; R58-E74 IonicContact CZ-OE2 3.29Å; R58-E74 IonicContact NE-OE2 3.18Å; R58-E74 PolarHBondContact NE-OE2 3.12Å; R58-E361 IonicContact CZ-OE1 2.64Å; R58-E361 IonicContact NH1-OE1 3.86Å; R58-E361 PolarHBondContact NH1-OE1 3.04Å; R58-E361 IonicContact NH2-OE1 3.8Å; R58-E361 PolarHBondContact NH2-OE1 3.42Å; R58-E361 IonicContact NH2-OE2 3.42Å; R58-D364 WeakPolarHBondContact CB-O 3.01Å; R58-L365 HydrophobicContact CB-CD2 4.3Å
59	E	96.7	Very high	97.2	Very high	74 Å²	74	53.2 Å²	53.2	35%	0.346	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.7	165.4	-166.9	167.6	146.1	0	0	110.7	K69 K366	E59-K69 WeakPolarHBondContact OE1-CA 3.43Å; E59-K366 WeakPolarHBondContact OE2-CE 3.37Å; E59-K366 IonicContact OE2-NZ 3.93Å; E59-K366 PolarHBondContact OE2-NZ 2.94Å
60	V	96.4	Very high	97.1	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.9	178	-177.4	0	0	0	0	110.3	R62 V67 N68 K69 K70 V72	V60-R62 HydrophobicContact CG1-CB 3.95Å; V60-R62 HydrophobicContact CG1-CG 3.6Å; V60-V67 HydrophobicContact CB-CG2 4.43Å; V60-V67 WeakPolarHBondContact CB-O 3.38Å; V60-V67 HydrophobicContact CG1-CG2 4.22Å; V60-V67 HydrophobicContact CG2-CG2 4.45Å; V60-N68 CarbonylContact O-C 3.21Å; V60-N68 WeakPolarHBondContact O-CA 3.32Å; V60-K69 PolarHBondContact O-N 2.77Å; V60-K70 PolarHBondContact N-O 3.37Å; V60-K70 VanDerWaalsContact N-O 3.1Å; V60-V72 HydrophobicContact CG2-CB 4.03Å; V60-V72 HydrophobicContact CG2-CG1 3.57Å; V60-V72 HydrophobicContact CG2-CG2 3.24Å
61	D	94.6	Very high	97	Very high	108 Å²	108	63.4 Å²	63.4	58%	0.578	34%	0.336	S	S	*	.			trans	-97.2	93.6	168.7	-177.8	21.3	0	0	0	110.3
62	R	94.6	Very high	97	Very high	62 Å²	62	64.7 Å²	64.7	23%	0.234	34%	0.344	C	S	.	.			trans	-145.4	87.3	178.1	-68.1	-174.6	-168.7	145	11.5	110	R58 V60 G64 S65 N68 E361	R58-R62 VanDerWaalsContact NH2-NH2 3.18Å; V60-R62 HydrophobicContact CG1-CB 3.95Å; V60-R62 HydrophobicContact CG1-CG 3.6Å; R62-G64 PolarHBondContact O-N 3.42Å; R62-S65 WeakPolarHBondContact O-CB 3.11Å; R62-S65 PolarHBondContact O-N 3.13Å; R62-N68 PolarHBondContact N-OD1 2.82Å; R62-N68 VanDerWaalsContact O-CB 3.3Å; R62-N68 WeakPolarHBondContact O-CB 3.4Å; R62-N68 PolarHBondContact O-OD1 2.85Å; R62-E361 IonicContact CZ-OE1 3.46Å; R62-E361 IonicContact CZ-OE2 2.65Å; R62-E361 IonicContact NE-OE1 2.81Å; R62-E361 IonicContact NE-OE2 2.87Å; R62-E361 PolarHBondContact NE-OE2 2.83Å; R62-E361 IonicContact NH2-OE1 2.96Å; R62-E361 IonicContact NH2-OE2 3.48Å; R62-E361 PolarHBondContact NH2-OE2 3.05Å
63	P	94.8	Very high	97	Very high	93 Å²	93	69.4 Å²	69.4	60%	0.604	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	132.9	177	-28.6	35.5	0	0	0	112.3
64	G	94.7	Very high	97	Very high	89 Å²	89	67.4 Å²	67.4	92%	0.918	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-8.1	-176	0	0	0	0	0	115.5	R62	R62-G64 PolarHBondContact O-N 3.42Å
65	S	96.3	Very high	97	Very high	47 Å²	47	69.4 Å²	69.4	33%	0.329	38%	0.379	S	S	.	.	S	Bend	trans	-83.3	144.2	173.7	-176.6	0	0	0	0	112	R62 V67 N68	R62-S65 WeakPolarHBondContact O-CB 3.11Å; R62-S65 PolarHBondContact O-N 3.13Å; S65-V67 PolarHBondContact O-N 3.14Å; S65-V67 VanDerWaalsContact O-N 3.13Å; S65-V67 WeakPolarHBondContact OG-CG2 3.4Å; S65-V67 PolarHBondContact OG-N 2.98Å; S65-N68 VanDerWaalsContact O-CB 3.23Å; S65-N68 WeakPolarHBondContact O-CB 3.47Å; S65-N68 PolarHBondContact O-N 2.88Å
66	K	97.3	Very high	97	Very high	191 Å²	191	66.1 Å²	66.1	83%	0.83	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.6	171.6	-67.8	-171.6	178.4	-173.4	0	113.8	K70	K66-K70 PolarHBondContact O-NZ 3.23Å; K66-K70 VanDerWaalsContact O-NZ 3.12Å
67	V	96.9	Very high	97.1	Very high	54 Å²	54	66.1 Å²	66.1	33%	0.327	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.4	177.7	-60.3	0	0	0	0	112.9	V60 S65 K69 K70 V72	V60-V67 HydrophobicContact CB-CG2 4.43Å; V60-V67 WeakPolarHBondContact CB-O 3.38Å; V60-V67 HydrophobicContact CG1-CG2 4.22Å; V60-V67 HydrophobicContact CG2-CG2 4.45Å; S65-V67 PolarHBondContact O-N 3.14Å; S65-V67 VanDerWaalsContact O-N 3.13Å; S65-V67 WeakPolarHBondContact OG-CG2 3.4Å; S65-V67 PolarHBondContact OG-N 2.98Å; V67-K69 PolarHBondContact O-N 2.77Å; V67-K70 PolarHBondContact O-N 2.66Å; V67-K70 VanDerWaalsContact O-N 3.17Å; V67-V72 HydrophobicContact CB-CG1 4.07Å; V67-V72 HydrophobicContact CG1-CG1 4.29Å; V67-V72 HydrophobicContact CG2-CG1 4.42Å
68	N	96.7	Very high	97.1	Very high	44 Å²	44	65 Å²	65	24%	0.235	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.1	174.4	-168.5	42.7	0	0	0	110.5	V60 R62 S65 K70	V60-N68 CarbonylContact O-C 3.21Å; V60-N68 WeakPolarHBondContact O-CA 3.32Å; R62-N68 PolarHBondContact N-OD1 2.82Å; R62-N68 VanDerWaalsContact O-CB 3.3Å; R62-N68 WeakPolarHBondContact O-CB 3.4Å; R62-N68 PolarHBondContact O-OD1 2.85Å; S65-N68 VanDerWaalsContact O-CB 3.23Å; S65-N68 WeakPolarHBondContact O-CB 3.47Å; S65-N68 PolarHBondContact O-N 2.88Å; N68-K70 PolarHBondContact O-N 3.2Å; N68-K70 VanDerWaalsContact O-N 3.17Å
69	K	95.9	Very high	97.1	Very high	151 Å²	151	64.9 Å²	64.9	66%	0.657	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	28.5	-175.8	-55.3	-176	177.5	-173.3	0	113.7	E59 V60 V67	E59-K69 WeakPolarHBondContact OE1-CA 3.43Å; V60-K69 PolarHBondContact O-N 2.77Å; V67-K69 PolarHBondContact O-N 2.77Å
70	K	97.4	Very high	97.2	Very high	121 Å²	121	61.4 Å²	61.4	53%	0.526	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.6	173.8	-65	-175.1	-175.7	166.8	0	109.9	V60 K66 V67 N68	V60-K70 PolarHBondContact N-O 3.37Å; V60-K70 VanDerWaalsContact N-O 3.1Å; K66-K70 PolarHBondContact O-NZ 3.23Å; K66-K70 VanDerWaalsContact O-NZ 3.12Å; V67-K70 PolarHBondContact O-N 2.66Å; V67-K70 VanDerWaalsContact O-N 3.17Å; N68-K70 PolarHBondContact O-N 3.2Å; N68-K70 VanDerWaalsContact O-N 3.17Å
71	E	98	Very high	97.3	Very high	117 Å²	117	61.3 Å²	61.3	55%	0.547	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.2	174.3	-65.1	-175.6	175.8	0	0	110.6	V57 R58 K366	V57-E71 HydrophobicContact CG1-CB 3.83Å; V57-E71 HydrophobicContact CG1-CG 4.24Å; R58-E71 CarbonylContact O-C 3.55Å; R58-E71 WeakPolarHBondContact O-CA 3.35Å; E71-K366 HydrophobicContact CG-CD 4.16Å; E71-K366 WeakPolarHBondContact OE1-CD 3.32Å; E71-K366 IonicContact OE1-NZ 2.71Å; E71-K366 PolarHBondContact OE1-NZ 3.22Å
72	V	98.2	Very high	97.5	Very high	27 Å²	27	56.2 Å²	56.2	16%	0.164	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.8	175.7	-60.5	0	0	0	0	110	V57 R58 V60 V67 E74	V57-V72 WeakPolarHBondContact CA-O 3.25Å; R58-V72 HydrophobicContact CG-CG2 4.05Å; R58-V72 PolarHBondContact N-O 3.26Å; R58-V72 PolarHBondContact O-N 3.27Å; V60-V72 HydrophobicContact CG2-CB 4.03Å; V60-V72 HydrophobicContact CG2-CG1 3.57Å; V60-V72 HydrophobicContact CG2-CG2 3.24Å; V67-V72 HydrophobicContact CB-CG1 4.07Å; V67-V72 HydrophobicContact CG1-CG1 4.29Å; V67-V72 HydrophobicContact CG2-CG1 4.42Å; V72-E74 HydrophobicContact CG2-CG 4Å
73	V	98.6	Very high	97.7	Very high	100 Å²	100	54.5 Å²	54.5	61%	0.606	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.3	170.1	-179.4	0	0	0	0	109	H55 I56 V57	H55-V73 HydrophobicContact CB-CG1 3.87Å; I56-V73 VanDerWaalsContact O-CA 3.31Å; I56-V73 WeakPolarHBondContact O-CA 3.43Å; V57-V73 HydrophobicContact CG2-CG2 4.21Å
74	E	98.6	Very high	97.8	Very high	31 Å²	31	50.2 Å²	50.2	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.2	177.1	-72	-177.9	140.9	0	0	111	H55 I56 R58 V72 Y285 K334	H55-E74 WeakPolarHBondContact CA-O 3.47Å; I56-E74 HydrophobicContact CD1-CB 4.11Å; I56-E74 PolarHBondContact N-O 3.11Å; I56-E74 PolarHBondContact O-N 3.27Å; R58-E74 IonicContact CZ-OE2 3.29Å; R58-E74 IonicContact NE-OE2 3.18Å; R58-E74 PolarHBondContact NE-OE2 3.12Å; V72-E74 HydrophobicContact CG2-CG 4Å; E74-Y285 HydrophobicContact CB-CE2 4.41Å; E74-Y285 WeakPolarHBondContact OE2-CE2 3.18Å; E74-Y285 VanDerWaalsContact OE2-CZ 3.28Å; E74-Y285 PolarHBondContact OE2-OH 3.22Å; E74-K334 WeakPolarHBondContact OE1-CE 3.25Å; E74-K334 IonicContact OE1-NZ 3.66Å; E74-K334 PolarHBondContact OE1-NZ 2.8Å; E74-K334 IonicContact OE2-NZ 3.75Å; E74-K334 PolarHBondContact OE2-NZ 2.81Å
75	A	98.8	Very high	98	Very high	53 Å²	53	46.9 Å²	46.9	44%	0.438	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.3	174	0	0	0	0	0	110.6	M53 G335	M53-A75 HydrophobicContact CE-CB 4.43Å; A75-G335 VanDerWaalsContact O-CA 3.24Å; A75-G335 WeakPolarHBondContact O-CA 3.31Å; A75-G335 PolarHBondContact O-N 3.03Å
76	V	98.8	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.3	178.3	-64.2	0	0	0	0	111.1	M53 T54 I56 I78 Y285 M332 V333	M53-V76 WeakPolarHBondContact CA-O 3.43Å; M53-V76 WeakPolarHBondContact CB-O 3.49Å; T54-V76 HydrophobicContact CG2-CG2 3.66Å; T54-V76 PolarHBondContact N-O 3.2Å; T54-V76 PolarHBondContact O-N 2.9Å; T54-V76 VanDerWaalsContact O-O 3.12Å; I56-V76 HydrophobicContact CG1-CG1 3.86Å; I56-V76 HydrophobicContact CG2-CG1 4.27Å; I56-V76 HydrophobicContact CG2-CG2 3.93Å; V76-I78 HydrophobicContact CG2-CD1 4.41Å; V76-Y285 HydrophobicContact CG1-CD2 3.77Å; V76-Y285 HydrophobicContact CG1-CE2 4.3Å; V76-M332 HydrophobicContact CB-CG 3.63Å; V76-M332 HydrophobicContact CB-SD 4.14Å; V76-M332 HydrophobicContact CG1-CG 3.9Å; V76-M332 HydrophobicContact CG1-SD 3.99Å; V76-M332 HydrophobicContact CG2-CE 4.33Å; V76-M332 HydrophobicContact CG2-CG 3.81Å; V76-M332 HydrophobicContact CG2-SD 3.91Å; V76-V333 CarbonylContact C-O 3.59Å; V76-V333 WeakPolarHBondContact CA-O 3.07Å
77	T	98.9	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.1	170.1	-57.4	0	0	0	0	109.5	K50 G52 M53 V79 V333 G335 V337	K50-T77 HydrophobicContact CD-CG2 4.38Å; K50-T77 HydrophobicContact CG-CG2 3.97Å; G52-T77 WeakPolarHBondContact O-CG2 3.41Å; M53-T77 HydrophobicContact CG-CG2 4.24Å; T77-V79 HydrophobicContact CG2-CG2 4.21Å; T77-V333 PolarHBondContact N-O 2.78Å; T77-V333 PolarHBondContact O-N 2.82Å; T77-G335 PolarHBondContact N-O 2.89Å; T77-G335 PolarHBondContact OG1-O 3.17Å; T77-V337 HydrophobicContact CG2-CG2 3.46Å; T77-V337 VanDerWaalsContact CG2-CG2 3.46Å
78	I	98.8	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.2	172.8	-52	-52.5	0	0	0	109.4	A51 G52 V76 I314 F320 V326 F330 M332	A51-I78 HydrophobicContact CB-CB 4.46Å; A51-I78 HydrophobicContact CB-CG2 4.36Å; A51-I78 PolarHBondContact N-O 2.97Å; G52-I78 PolarHBondContact O-N 2.61Å; V76-I78 HydrophobicContact CG2-CD1 4.41Å; I78-I314 HydrophobicContact CD1-CD1 3.89Å; I78-I314 HydrophobicContact CD1-CG1 3.95Å; I78-I314 HydrophobicContact CG1-CD1 4.33Å; I78-I314 HydrophobicContact CG1-CG1 4.03Å; I78-I314 HydrophobicContact CG2-CG1 4.27Å; I78-F320 HydrophobicContact CB-CZ 4.11Å; I78-F320 HydrophobicContact CG1-CE1 4.34Å; I78-F320 HydrophobicContact CG1-CZ 3.76Å; I78-F320 HydrophobicContact CG2-CZ 4.44Å; I78-V326 HydrophobicContact CG2-CG2 4.41Å; I78-F330 HydrophobicContact CD1-CD2 4.41Å; I78-F330 HydrophobicContact CD1-CE2 4.41Å; I78-F330 HydrophobicContact CG2-CB 4.03Å; I78-F330 HydrophobicContact CG2-CD2 3.88Å; I78-F330 HydrophobicContact CG2-CG 4.07Å; I78-M332 HydrophobicContact CD1-CB 3.99Å; I78-M332 HydrophobicContact CD1-CE 3.86Å; I78-M332 HydrophobicContact CD1-CG 3.82Å
79	V	98.8	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.9	176.6	-175.9	0	0	0	0	108.1	Y49 T77 T81 F330 V331 V333 L345	Y49-V79 CarbonylContact O-C 3.45Å; Y49-V79 WeakPolarHBondContact O-CA 3.37Å; T77-V79 HydrophobicContact CG2-CG2 4.21Å; V79-T81 HydrophobicContact CG1-CG2 4.24Å; V79-F330 CarbonylContact O-C 3.55Å; V79-F330 VanDerWaalsContact O-CA 3.27Å; V79-F330 WeakPolarHBondContact O-CA 3.03Å; V79-F330 WeakPolarHBondContact O-CB 3.49Å; V79-V331 PolarHBondContact N-O 3.22Å; V79-V331 PolarHBondContact O-N 2.76Å; V79-V333 HydrophobicContact CG2-CG2 4.45Å; V79-L345 HydrophobicContact CG2-CD1 4.17Å
80	E	98.8	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.2	176.7	-172.6	171.9	-158.1	0	0	110	G48 Y49 L171 Y323 V326 T327 N328	G48-E80 CarbonylContact C-O 3.6Å; G48-E80 VanDerWaalsContact CA-O 3.27Å; G48-E80 WeakPolarHBondContact CA-O 3.49Å; Y49-E80 PolarHBondContact N-O 3.48Å; Y49-E80 PolarHBondContact O-N 2.54Å; E80-L171 HydrophobicContact CB-CD2 4.45Å; E80-L171 VanDerWaalsContact CD-CD2 3.49Å; E80-L171 HydrophobicContact CG-CD2 3.85Å; E80-L171 WeakPolarHBondContact OE2-CD2 3.49Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.48Å; E80-Y323 VanDerWaalsContact OE2-CZ 3.23Å; E80-Y323 PolarHBondContact OE2-OH 2.86Å; E80-V326 HydrophobicContact CB-CG1 4.13Å; E80-V326 HydrophobicContact CB-CG2 4.41Å; E80-V326 HydrophobicContact CG-CG1 3.92Å; E80-T327 PolarHBondContact OE1-N 3.04Å; E80-T327 VanDerWaalsContact OE1-N 3.12Å; E80-N328 HydrophobicContact CG-CB 4Å; E80-N328 PolarHBondContact OE1-N 2.78Å; E80-N328 VanDerWaalsContact OE1-N 3.12Å; E80-N328 PolarHBondContact OE1-ND2 2.96Å
81	T	98.6	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.			trans	-132.3	71.2	-168.4	43.1	0	0	0	0	109.3	F46 V79 V207 D329 F330 V331 L347	F46-T81 HydrophobicContact CD1-CG2 4.03Å; F46-T81 HydrophobicContact CE1-CG2 4.15Å; V79-T81 HydrophobicContact CG1-CG2 4.24Å; T81-V207 HydrophobicContact CG2-CG2 4.21Å; T81-V207 WeakPolarHBondContact OG1-CG1 3.45Å; T81-D329 CarbonylContact C-O 3.56Å; T81-D329 WeakPolarHBondContact CA-O 3.25Å; T81-D329 PolarHBondContact N-O 2.79Å; T81-D329 PolarHBondContact OG1-O 2.83Å; T81-D329 VanDerWaalsContact OG1-O 3.05Å; T81-F330 WeakPolarHBondContact OG1-CA 3.41Å; T81-V331 HydrophobicContact CG2-CG2 4.04Å; T81-L347 HydrophobicContact CG2-CD1 4.11Å
82	P	98.2	Very high	98.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-58.8	150.9	173	28.4	-35.4	0	0	0	109.7	M84 L170 L171 N328	P82-M84 PolarHBondContact O-N 3.49Å; P82-L170 HydrophobicContact CB-CB 4.32Å; P82-L170 HydrophobicContact CB-CD1 4.09Å; P82-L171 HydrophobicContact CG-CD1 4.22Å; P82-L171 HydrophobicContact CG-CD2 3.93Å; P82-L171 HydrophobicContact CG-CG 4.1Å; P82-N328 HydrophobicContact CB-CB 4.17Å
83	P	98.2	Very high	98.5	Very high	27 Å²	27	14.3 Å²	14.3	18%	0.175	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-52.2	138.6	179.2	-26.7	34.1	0	0	0	112.2	M204 V205	P83-M204 HydrophobicContact CB-CB 4.06Å; P83-M204 HydrophobicContact CB-SD 4.35Å; P83-V205 WeakPolarHBondContact CA-O 3.13Å
84	M	98.4	Very high	98.4	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.015	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.5	175.2	-72.1	179	54.4	0	0	109.8	F46 L47 P82 A164 H165 T166 M181 V183 M204 V205	F46-M84 HydrophobicContact CB-SD 4.42Å; F46-M84 HydrophobicContact CD1-CG 4.46Å; F46-M84 HydrophobicContact CD1-SD 3.92Å; F46-M84 HydrophobicContact CD2-CG 4.27Å; F46-M84 HydrophobicContact CD2-SD 3.64Å; F46-M84 HydrophobicContact CE1-CG 3.94Å; F46-M84 HydrophobicContact CE1-SD 4.01Å; F46-M84 HydrophobicContact CE2-CB 4Å; F46-M84 HydrophobicContact CE2-CG 3.76Å; F46-M84 HydrophobicContact CE2-SD 3.78Å; F46-M84 HydrophobicContact CG-SD 3.72Å; F46-M84 HydrophobicContact CZ-CB 4.1Å; F46-M84 HydrophobicContact CZ-CG 3.57Å; F46-M84 HydrophobicContact CZ-SD 3.96Å; L47-M84 HydrophobicContact CB-CE 4.44Å; L47-M84 HydrophobicContact CB-SD 3.81Å; L47-M84 HydrophobicContact CD1-CE 4.37Å; L47-M84 HydrophobicContact CG-CE 4.23Å; L47-M84 HydrophobicContact CG-SD 4.21Å; L47-M84 PolarHBondContact N-SD 2.9Å; P82-M84 PolarHBondContact O-N 3.49Å; M84-A164 HydrophobicContact CB-CB 4.41Å; M84-A164 HydrophobicContact CE-CB 3.44Å; M84-A164 VanDerWaalsContact CE-CB 3.44Å; M84-H165 CarbonylContact C-O 3.51Å; M84-H165 VanDerWaalsContact CA-O 3.31Å; M84-H165 WeakPolarHBondContact CA-O 3.35Å; M84-T166 HydrophobicContact CG-CG2 4.36Å; M84-M181 HydrophobicContact CE-CG 4.23Å; M84-V183 HydrophobicContact CE-CG2 4.47Å; M84-M204 CarbonylContact O-C 3.55Å; M84-M204 WeakPolarHBondContact O-CA 3.47Å; M84-V205 PolarHBondContact N-O 3.3Å; M84-V205 PolarHBondContact O-N 3.12Å
85	I	98.4	Very high	98.3	Very high	19 Å²	19	14.9 Å²	14.9	10%	0.097	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127	174.6	-56.2	178.5	0	0	0	108.4	V87 A164 H165 Q167 Q203 M204	I85-V87 HydrophobicContact CB-CG1 4.37Å; I85-V87 HydrophobicContact CG2-CG1 3.75Å; I85-A164 CarbonylContact O-C 3.52Å; I85-A164 WeakPolarHBondContact O-CA 3.34Å; I85-H165 PolarHBondContact N-O 3.48Å; I85-H165 PolarHBondContact O-N 2.95Å; I85-Q167 HydrophobicContact CD1-CG 3.91Å; I85-Q167 HydrophobicContact CG1-CG 4.02Å; I85-Q167 VanDerWaalsContact CG1-NE2 3.32Å; I85-Q203 WeakPolarHBondContact CA-O 3.24Å; I85-M204 HydrophobicContact CG1-CG 4.24Å
86	V	98.3	Very high	98.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.5	172.8	173	0	0	0	0	108.4	V162 A164 K200 L201 E202 Q203 V205	V86-V162 HydrophobicContact CG1-CB 3.99Å; V86-V162 HydrophobicContact CG1-CG1 4.18Å; V86-V162 HydrophobicContact CG2-CG2 4.48Å; V86-A164 HydrophobicContact CG2-CB 4.25Å; V86-K200 VanDerWaalsContact CB-O 3.3Å; V86-K200 WeakPolarHBondContact CB-O 3.43Å; V86-L201 HydrophobicContact CG1-CD2 4.38Å; V86-E202 WeakPolarHBondContact O-CA 3.21Å; V86-E202 PolarHBondContact O-N 3Å; V86-Q203 PolarHBondContact N-O 3.14Å; V86-Q203 VanDerWaalsContact N-O 3.13Å; V86-V205 HydrophobicContact CG2-CG2 3.77Å
87	V	97.9	Very high	98.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	7.2	-171	-64	0	0	0	0	113.6	I85 F106 A107 M110 I163 H165 L180	I85-V87 HydrophobicContact CB-CG1 4.37Å; I85-V87 HydrophobicContact CG2-CG1 3.75Å; V87-F106 WeakPolarHBondContact O-CA 2.76Å; V87-F106 WeakPolarHBondContact O-CD1 3.42Å; V87-A107 PolarHBondContact O-N 3.45Å; V87-M110 HydrophobicContact CB-CE 3.66Å; V87-M110 HydrophobicContact CB-SD 3.68Å; V87-M110 HydrophobicContact CG1-CE 4.38Å; V87-M110 HydrophobicContact CG1-SD 3.79Å; V87-M110 HydrophobicContact CG2-CE 4Å; V87-M110 HydrophobicContact CG2-SD 3.93Å; V87-I163 HydrophobicContact CG2-CB 4.5Å; V87-I163 HydrophobicContact CG2-CG2 4.05Å; V87-I163 WeakPolarHBondContact CG2-O 3.44Å; V87-I163 PolarHBondContact N-O 2.8Å; V87-H165 VanDerWaalsContact CG1-CD2 3.4Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.42Å; V87-L180 HydrophobicContact CG2-CD2 4.04Å
88	G	97.9	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	174.1	174.7	0	0	0	0	0	113.1	I105 V162 I163	G88-I105 CarbonylContact C-O 3.46Å; G88-I105 WeakPolarHBondContact CA-O 3.2Å; G88-V162 CarbonylContact O-C 3.45Å; G88-V162 WeakPolarHBondContact O-CA 3.43Å; G88-I163 PolarHBondContact N-O 3.39Å; G88-I163 PolarHBondContact O-N 3.26Å
89	V	98.3	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.2	-179	-169.1	0	0	0	0	108.4	T104 I105 M153 I160 R161 A197 L201	V89-T104 CarbonylContact O-C 3.53Å; V89-T104 VanDerWaalsContact O-CA 3.32Å; V89-T104 WeakPolarHBondContact O-CA 3.42Å; V89-I105 PolarHBondContact N-O 3.2Å; V89-I105 PolarHBondContact O-N 3.05Å; V89-M153 HydrophobicContact CG1-SD 4.28Å; V89-I160 HydrophobicContact CG1-CG2 3.62Å; V89-R161 CarbonylContact C-O 3.55Å; V89-R161 WeakPolarHBondContact CA-O 3.41Å; V89-A197 HydrophobicContact CB-CB 4.4Å; V89-A197 HydrophobicContact CG1-CB 3.89Å; V89-A197 HydrophobicContact CG2-CB 3.56Å; V89-L201 HydrophobicContact CG2-CD2 4.13Å
90	I	98.5	Very high	97.8	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.4	174.4	-52.1	-176.9	0	0	0	108.3	Y92 K103 T104 R161 I163 E182	I90-Y92 HydrophobicContact CB-CE2 4.05Å; I90-Y92 HydrophobicContact CG2-CD2 3.98Å; I90-Y92 HydrophobicContact CG2-CE2 3.52Å; I90-K103 WeakPolarHBondContact CA-O 3.42Å; I90-T104 HydrophobicContact CD1-CG2 4.44Å; I90-T104 HydrophobicContact CG1-CG2 3.85Å; I90-R161 PolarHBondContact N-O 3.34Å; I90-R161 PolarHBondContact O-N 2.85Å; I90-I163 HydrophobicContact CD1-CD1 3.68Å; I90-I163 HydrophobicContact CD1-CG1 3.75Å; I90-I163 HydrophobicContact CG1-CD1 3.64Å; I90-I163 HydrophobicContact CG1-CG1 3.69Å; I90-E182 HydrophobicContact CD1-CG 3.75Å
91	G	98.4	Very high	97.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.6	169	0	0	0	0	0	111	F102 K103 C157	G91-F102 WeakPolarHBondContact O-CB 3.06Å; G91-F102 PolarHBondContact O-N 3.2Å; G91-K103 PolarHBondContact N-O 3.25Å; G91-C157 VanDerWaalsContact CA-SG 3.52Å
92	Y	98.6	Very high	97.6	Very high	29 Å²	29	49.8 Å²	49.8	11%	0.114	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.4	175.5	-75.2	-92.8	0	0	0	110.4	I90 L99 R100 C157 Q158 V159 R161 E182	I90-Y92 HydrophobicContact CB-CE2 4.05Å; I90-Y92 HydrophobicContact CG2-CD2 3.98Å; I90-Y92 HydrophobicContact CG2-CE2 3.52Å; Y92-L99 HydrophobicContact CD1-CB 4.21Å; Y92-R100 WeakPolarHBondContact CA-O 3.5Å; Y92-C157 CarbonylContact O-C 3.54Å; Y92-C157 WeakPolarHBondContact O-CA 3.26Å; Y92-C157 WeakPolarHBondContact O-CB 3.34Å; Y92-Q158 PolarHBondContact O-N 3.38Å; Y92-V159 PolarHBondContact N-O 2.85Å; Y92-V159 PolarHBondContact O-N 3.42Å; Y92-R161 HydrophobicContact CD2-CG 4.11Å; Y92-R161 HydrophobicContact CE2-CB 4.35Å; Y92-R161 HydrophobicContact CE2-CG 3.89Å; Y92-E182 PolarHBondContact OH-OE2 3.14Å
93	V	98.1	Very high	97.6	Very high	23 Å²	23	53 Å²	53	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.7	172.6	65.2	0	0	0	0	109.8	T95 L99 R100 F102 Q158	V93-T95 HydrophobicContact CG1-CG2 4.09Å; V93-L99 WeakPolarHBondContact O-CA 3.11Å; V93-R100 HydrophobicContact CG1-CB 4.25Å; V93-R100 PolarHBondContact N-O 3.08Å; V93-R100 PolarHBondContact O-N 3.39Å; V93-F102 HydrophobicContact CB-CB 4.38Å; V93-F102 HydrophobicContact CG1-CB 4.28Å; V93-F102 HydrophobicContact CG1-CD2 4.43Å; V93-Q158 VanDerWaalsContact CA-OE1 3.26Å
94	N	96.7	Very high	97.6	Very high	104 Å²	104	54.5 Å²	54.5	56%	0.556	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.1	173.2	-165.9	20.5	0	0	0	109.4	L99 Q158	N94-L99 HydrophobicContact CB-CD2 4.1Å; N94-Q158 HydrophobicContact CB-CG 4.43Å
95	T	97.1	Very high	97.5	Very high	40 Å²	40	54.4 Å²	54.4	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.5	176.8	73.6	0	0	0	0	108.7	V93 R97 G98 R100	V93-T95 HydrophobicContact CG1-CG2 4.09Å; T95-R97 PolarHBondContact O-N 2.97Å; T95-R97 PolarHBondContact OG1-N 2.87Å; T95-G98 WeakPolarHBondContact CB-O 3.32Å; T95-G98 PolarHBondContact N-O 3.27Å; T95-G98 WeakPolarHBondContact O-CA 3.46Å; T95-G98 PolarHBondContact O-N 3.37Å; T95-G98 PolarHBondContact OG1-O 3.4Å; T95-R100 HydrophobicContact CG2-CB 4.17Å
96	P	97.2	Very high	97.5	Very high	146 Å²	146	55.3 Å²	55.3	95%	0.948	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.7	175	-27	35.7	0	0	0	114.2
97	R	96	Very high	97.4	Very high	251 Å²	251	55.3 Å²	55.3	95%	0.947	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	7.8	176.7	-59.1	-177.9	-174.6	170.1	2	113.4	T95	T95-R97 PolarHBondContact O-N 2.97Å; T95-R97 PolarHBondContact OG1-N 2.87Å
98	G	95.4	Very high	97.3	Very high	30 Å²	30	57.3 Å²	57.3	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.1	-168.1	-177.2	0	0	0	0	0	114	T95 R100	T95-G98 WeakPolarHBondContact CB-O 3.32Å; T95-G98 PolarHBondContact N-O 3.27Å; T95-G98 WeakPolarHBondContact O-CA 3.46Å; T95-G98 PolarHBondContact O-N 3.37Å; T95-G98 PolarHBondContact OG1-O 3.4Å; G98-R100 PolarHBondContact O-N 3.5Å
99	L	96.5	Very high	97.2	Very high	85 Å²	85	62.6 Å²	62.6	45%	0.445	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.8	-178.8	-66.7	171.7	0	0	0	111.4	Y92 V93 N94 V159	Y92-L99 HydrophobicContact CD1-CB 4.21Å; V93-L99 WeakPolarHBondContact O-CA 3.11Å; N94-L99 HydrophobicContact CB-CD2 4.1Å; L99-V159 HydrophobicContact CD1-CG2 4.35Å; L99-V159 HydrophobicContact CD2-CG2 4.23Å
100	R	97.3	Very high	97	Very high	144 Å²	144	63.1 Å²	63.1	54%	0.543	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.7	174.2	-173.7	176.9	67.6	99.9	-3.9	109.9	Y92 V93 T95 G98 F102	Y92-R100 WeakPolarHBondContact CA-O 3.5Å; V93-R100 HydrophobicContact CG1-CB 4.25Å; V93-R100 PolarHBondContact N-O 3.08Å; V93-R100 PolarHBondContact O-N 3.39Å; T95-R100 HydrophobicContact CG2-CB 4.17Å; G98-R100 PolarHBondContact O-N 3.5Å; R100-F102 PolarHBondContact O-N 3.5Å
101	S	97.5	Very high	96.8	Very high	68 Å²	68	64.2 Å²	64.2	48%	0.476	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	121.4	171.6	55.1	0	0	0	0	109.3
102	F	97.3	Very high	96.7	Very high	62 Å²	62	68.6 Å²	68.6	27%	0.272	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-62.5	-179	179.3	-110.4	0	0	0	110.8	G91 V93 R100 A152 Y156 C157	G91-F102 WeakPolarHBondContact O-CB 3.06Å; G91-F102 PolarHBondContact O-N 3.2Å; V93-F102 HydrophobicContact CB-CB 4.38Å; V93-F102 HydrophobicContact CG1-CB 4.28Å; V93-F102 HydrophobicContact CG1-CD2 4.43Å; R100-F102 PolarHBondContact O-N 3.5Å; F102-A152 HydrophobicContact CE1-CB 3.91Å; F102-A152 HydrophobicContact CZ-CB 4.34Å; F102-Y156 HydrophobicContact CE1-CD2 4.22Å; F102-Y156 AromaticContact CZ-CD2 3.76Å; F102-Y156 HydrophobicContact CZ-CD2 3.76Å; F102-Y156 HydrophobicContact CZ-CG 4.27Å; F102-C157 VanDerWaalsContact CD1-SG 3.55Å
103	K	97.1	Very high	96.6	Very high	67 Å²	67	68.1 Å²	68.1	29%	0.291	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.3	177.2	-75.9	-179.3	-179.5	-93.3	0	110.1	I90 G91 D149 A152 M153	I90-K103 WeakPolarHBondContact CA-O 3.42Å; G91-K103 PolarHBondContact N-O 3.25Å; K103-D149 HydrophobicContact CD-CB 4.13Å; K103-D149 WeakPolarHBondContact CE-OD1 3.34Å; K103-D149 IonicContact NZ-OD1 3.95Å; K103-D149 PolarHBondContact NZ-OD1 3.02Å; K103-A152 HydrophobicContact CD-CB 4.44Å; K103-M153 VanDerWaalsContact C-CE 3.46Å; K103-M153 HydrophobicContact CB-CE 3.55Å; K103-M153 HydrophobicContact CB-CG 4.43Å; K103-M153 VanDerWaalsContact O-CE 3.25Å; K103-M153 WeakPolarHBondContact O-CE 3.49Å
104	T	97.9	Very high	96.6	Very high	59 Å²	59	67 Å²	67	36%	0.362	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.5	172.9	-59.2	0	0	0	0	108.4	V89 I90 F106 I163	V89-T104 CarbonylContact O-C 3.53Å; V89-T104 VanDerWaalsContact O-CA 3.32Å; V89-T104 WeakPolarHBondContact O-CA 3.42Å; I90-T104 HydrophobicContact CD1-CG2 4.44Å; I90-T104 HydrophobicContact CG1-CG2 3.85Å; T104-F106 HydrophobicContact CG2-CD2 3.84Å; T104-F106 HydrophobicContact CG2-CE2 3.44Å; T104-F106 VanDerWaalsContact CG2-CE2 3.44Å; T104-F106 HydrophobicContact CG2-CZ 3.99Å; T104-I163 HydrophobicContact CG2-CD1 3.81Å
105	I	98.1	Very high	96.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.8	175.1	-62.8	165.6	0	0	0	106.7	G88 V89 Y133 W137 L146 D149 F150 M153	G88-I105 CarbonylContact C-O 3.46Å; G88-I105 WeakPolarHBondContact CA-O 3.2Å; V89-I105 PolarHBondContact N-O 3.2Å; V89-I105 PolarHBondContact O-N 3.05Å; I105-Y133 WeakPolarHBondContact CA-OH 3.49Å; I105-W137 HydrophobicContact CG2-CZ2 3.91Å; I105-L146 HydrophobicContact CG2-CD2 3.95Å; I105-D149 HydrophobicContact CD1-CB 3.77Å; I105-D149 HydrophobicContact CG1-CB 4.12Å; I105-F150 HydrophobicContact CB-CE1 4.48Å; I105-F150 HydrophobicContact CB-CZ 4.38Å; I105-F150 HydrophobicContact CD1-CB 4.49Å; I105-F150 HydrophobicContact CD1-CD1 3.5Å; I105-F150 VanDerWaalsContact CD1-CD1 3.5Å; I105-F150 HydrophobicContact CD1-CD2 3.98Å; I105-F150 HydrophobicContact CD1-CE1 3.58Å; I105-F150 HydrophobicContact CD1-CE2 4.04Å; I105-F150 HydrophobicContact CD1-CG 3.71Å; I105-F150 HydrophobicContact CD1-CZ 3.86Å; I105-F150 HydrophobicContact CG2-CE1 4.26Å; I105-F150 HydrophobicContact CG2-CE2 4.09Å; I105-F150 HydrophobicContact CG2-CZ 3.68Å; I105-M153 HydrophobicContact CB-CE 4.3Å; I105-M153 HydrophobicContact CD1-CE 3.58Å; I105-M153 HydrophobicContact CD1-SD 3.87Å; I105-M153 HydrophobicContact CG1-CE 3.61Å
106	F	97.8	Very high	96.6	Very high	37 Å²	37	64.5 Å²	64.5	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	161.1	170.9	-75.1	-87.1	0	0	0	110.7	V87 T104 M110 F118 F130 Y133 W137 I163	V87-F106 WeakPolarHBondContact O-CA 2.76Å; V87-F106 WeakPolarHBondContact O-CD1 3.42Å; T104-F106 HydrophobicContact CG2-CD2 3.84Å; T104-F106 HydrophobicContact CG2-CE2 3.44Å; T104-F106 VanDerWaalsContact CG2-CE2 3.44Å; T104-F106 HydrophobicContact CG2-CZ 3.99Å; F106-M110 HydrophobicContact CD1-CE 3.79Å; F106-F118 HydrophobicContact CE1-CZ 4.46Å; F106-F130 HydrophobicContact CB-CD1 4.26Å; F106-F130 HydrophobicContact CB-CE1 3.9Å; F106-F130 AromaticContact CD1-CE1 3.8Å; F106-F130 HydrophobicContact CD1-CE1 3.8Å; F106-F130 AromaticContact CD1-CZ 3.98Å; F106-F130 HydrophobicContact CD1-CZ 3.98Å; F106-F130 AromaticContact CD2-CE1 3.52Å; F106-F130 HydrophobicContact CD2-CE1 3.52Å; F106-F130 HydrophobicContact CD2-CZ 4.15Å; F106-F130 HydrophobicContact CE1-CE1 4.16Å; F106-F130 AromaticContact CE1-CZ 3.93Å; F106-F130 HydrophobicContact CE1-CZ 3.93Å; F106-F130 AromaticContact CE2-CE1 3.89Å; F106-F130 HydrophobicContact CE2-CE1 3.89Å; F106-F130 HydrophobicContact CE2-CZ 4.09Å; F106-F130 HydrophobicContact CG-CD1 4.29Å; F106-F130 AromaticContact CG-CE1 3.45Å; F106-F130 HydrophobicContact CG-CE1 3.45Å; F106-F130 VanDerWaalsContact CG-CE1 3.45Å; F106-F130 HydrophobicContact CG-CZ 4.08Å; F106-F130 HydrophobicContact CZ-CE1 4.2Å; F106-F130 AromaticContact CZ-CZ 3.98Å; F106-F130 HydrophobicContact CZ-CZ 3.98Å; F106-Y133 HydrophobicContact CB-CD1 4.16Å; F106-Y133 HydrophobicContact CB-CE1 3.66Å; F106-Y133 PolarHBondContact N-OH 2.76Å; F106-Y133 WeakPolarHBondContact O-CE1 3.45Å; F106-Y133 PolarHBondContact O-OH 2.76Å; F106-W137 VanDerWaalsContact O-CZ2 3.28Å; F106-W137 WeakPolarHBondContact O-CZ2 3.03Å; F106-W137 PolarHBondContact O-NE1 3.15Å; F106-I163 HydrophobicContact CD1-CD1 4.32Å; F106-I163 HydrophobicContact CE1-CD1 3.6Å; F106-I163 HydrophobicContact CE1-CG2 4.49Å; F106-I163 HydrophobicContact CE2-CD1 4.45Å; F106-I163 HydrophobicContact CZ-CD1 3.68Å
107	A	96.3	Very high	96.6	Very high	2 Å²	2	61.2 Å²	61.2	2%	0.017	29%	0.29	C	S	.	.			trans	-67.8	166.3	169.8	0	0	0	0	0	112.2	V87 L201 E202	V87-A107 PolarHBondContact O-N 3.45Å; A107-L201 HydrophobicContact CB-CB 4.49Å; A107-L201 HydrophobicContact CB-CD2 4.17Å; A107-E202 HydrophobicContact CB-CG 3.52Å; A107-E202 WeakPolarHBondContact CB-OE1 3.41Å
108	E	95.6	Very high	96.7	Very high	42 Å²	42	53.6 Å²	53.6	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	-72.7	-54.7	177.8	-178.8	176.9	168.8	0	0	110.3	W137 Q138 E202	E108-W137 HydrophobicContact CB-CB 3.81Å; E108-W137 HydrophobicContact CB-CD2 4.17Å; E108-W137 HydrophobicContact CB-CG 3.72Å; E108-W137 HydrophobicContact CG-CB 3.7Å; E108-W137 HydrophobicContact CG-CG 4.15Å; E108-Q138 VanDerWaalsContact OE1-CG 3.28Å; E108-Q138 WeakPolarHBondContact OE1-CG 3.48Å; E108-Q138 PolarHBondContact OE1-NE2 3.3Å; E108-E202 WeakPolarHBondContact CA-OE1 3.32Å; E108-E202 WeakPolarHBondContact CB-OE1 3.4Å; E108-E202 PolarHBondContact N-OE1 2.63Å
109	H	95.2	Very high	96.8	Very high	111 Å²	111	54.6 Å²	54.6	51%	0.514	26%	0.259	S	S	.	.			trans	-96.6	104.9	-175.9	-56.9	-43.7	0	0	0	111.4	E202	H109-E202 IonicContact CD2-OE2 2.56Å; H109-E202 PolarHBondContact CD2-OE2 3.25Å; H109-E202 VanDerWaalsContact CD2-OE2 3.29Å; H109-E202 IonicContact CG-OE2 3.93Å; H109-E202 PolarHBondContact N-OE1 2.74Å
110	M	94.3	Very high	96.8	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.059	28%	0.281	C	S	.	.			trans	-98.9	123.8	175.1	-168.2	68.2	61.8	0	0	111.2	V87 F106 C114 K115	V87-M110 HydrophobicContact CB-CE 3.66Å; V87-M110 HydrophobicContact CB-SD 3.68Å; V87-M110 HydrophobicContact CG1-CE 4.38Å; V87-M110 HydrophobicContact CG1-SD 3.79Å; V87-M110 HydrophobicContact CG2-CE 4Å; V87-M110 HydrophobicContact CG2-SD 3.93Å; F106-M110 HydrophobicContact CD1-CE 3.79Å; M110-C114 HydrophobicContact CG-CB 3.94Å; M110-C114 HydrophobicContact SD-CB 3.62Å; M110-C114 PolarHBondContact SD-SG 3.09Å; M110-K115 HydrophobicContact CB-CG 4.26Å; M110-K115 HydrophobicContact CG-CG 3.89Å; M110-K115 WeakPolarHBondContact O-CE 3.38Å; M110-K115 PolarHBondContact O-NZ 3.18Å
111	S	95.3	Very high	96.8	Very high	36 Å²	36	57.5 Å²	57.5	25%	0.252	28%	0.276	S	S	.	.			trans	-60.5	149	174.8	71.1	0	0	0	0	112.6	E113 C114 K115 H165	S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact O-N 2.78Å; S111-E113 WeakPolarHBondContact OG-CG 3.19Å; S111-C114 WeakPolarHBondContact O-CA 3.27Å; S111-C114 WeakPolarHBondContact O-CB 3.37Å; S111-C114 PolarHBondContact O-N 3.27Å; S111-C114 WeakPolarHBondContact OG-CB 3.23Å; S111-C114 PolarHBondContact OG-N 3.15Å; S111-K115 PolarHBondContact O-N 2.93Å; S111-H165 PolarHBondContact OG-CE1 2.73Å; S111-H165 PolarHBondContact OG-NE2 3.47Å
112	D	96.2	Very high	96.7	Very high	91 Å²	91	55.6 Å²	55.6	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-33.7	-179.8	-90.2	9.9	0	0	0	113.4	C114 K115 R116 W122	D112-C114 VanDerWaalsContact C-N 3.25Å; D112-C114 PolarHBondContact O-N 2.89Å; D112-K115 PolarHBondContact O-N 2.87Å; D112-K115 IonicContact OD1-NZ 2.76Å; D112-R116 VanDerWaalsContact O-CG 3.29Å; D112-R116 WeakPolarHBondContact O-CG 3.32Å; D112-R116 PolarHBondContact O-N 3.07Å; D112-W122 HydrophobicContact CB-CH2 4.31Å; D112-W122 HydrophobicContact CB-CZ2 4.19Å
113	E	96.1	Very high	96.7	Very high	20 Å²	20	60.1 Å²	60.1	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-31	174	59.8	174.9	-175	0	0	112.7	S111 R116 H165 Q167 M168 R169 S178	S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact O-N 2.78Å; S111-E113 WeakPolarHBondContact OG-CG 3.19Å; E113-R116 WeakPolarHBondContact O-CB 3.15Å; E113-H165 IonicContact OE1-CE1 2.63Å; E113-H165 PolarHBondContact OE1-CE1 3.41Å; E113-H165 IonicContact OE1-ND1 2.95Å; E113-Q167 VanDerWaalsContact OE1-CA 3.3Å; E113-Q167 WeakPolarHBondContact OE1-CA 3.46Å; E113-M168 PolarHBondContact OE2-N 3.43Å; E113-R169 PolarHBondContact OE2-N 3.09Å; E113-S178 WeakPolarHBondContact O-CB 3.32Å; E113-S178 PolarHBondContact O-N 3.38Å; E113-S178 PolarHBondContact O-OG 3.44Å; E113-S178 VanDerWaalsContact O-OG 3.08Å
114	C	96.9	Very high	96.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-75.3	-46	171.1	-166	0	0	0	0	112.2	M110 S111 D112 R116 R117 F118 H165 S178	M110-C114 HydrophobicContact CG-CB 3.94Å; M110-C114 HydrophobicContact SD-CB 3.62Å; M110-C114 PolarHBondContact SD-SG 3.09Å; S111-C114 WeakPolarHBondContact O-CA 3.27Å; S111-C114 WeakPolarHBondContact O-CB 3.37Å; S111-C114 PolarHBondContact O-N 3.27Å; S111-C114 WeakPolarHBondContact OG-CB 3.23Å; S111-C114 PolarHBondContact OG-N 3.15Å; D112-C114 VanDerWaalsContact C-N 3.25Å; D112-C114 PolarHBondContact O-N 2.89Å; C114-R116 PolarHBondContact O-N 2.86Å; C114-R117 WeakPolarHBondContact O-CA 3.48Å; C114-R117 WeakPolarHBondContact O-CB 3.42Å; C114-R117 PolarHBondContact O-N 3.23Å; C114-F118 VanDerWaalsContact O-CD2 3.28Å; C114-F118 WeakPolarHBondContact O-CD2 3.4Å; C114-F118 WeakPolarHBondContact O-CE2 3.23Å; C114-H165 VanDerWaalsContact SG-CD2 3.55Å; C114-S178 VanDerWaalsContact CA-OG 3.24Å; C114-S178 WeakPolarHBondContact CA-OG 3.47Å
115	K	97.3	Very high	96.6	Very high	44 Å²	44	63.8 Å²	63.8	19%	0.191	29%	0.288	C	S	.	.	H	α-helix	trans	-54.3	-38.6	173.1	-68.9	176.7	-175.1	154.1	0	111.5	M110 S111 D112 R117 F118 Y119 W122	M110-K115 HydrophobicContact CB-CG 4.26Å; M110-K115 HydrophobicContact CG-CG 3.89Å; M110-K115 WeakPolarHBondContact O-CE 3.38Å; M110-K115 PolarHBondContact O-NZ 3.18Å; S111-K115 PolarHBondContact O-N 2.93Å; D112-K115 PolarHBondContact O-N 2.87Å; D112-K115 IonicContact OD1-NZ 2.76Å; K115-R117 PolarHBondContact O-N 2.72Å; K115-R117 VanDerWaalsContact O-N 3.1Å; K115-F118 WeakPolarHBondContact O-CB 3.45Å; K115-F118 PolarHBondContact O-N 2.95Å; K115-Y119 VanDerWaalsContact O-CD2 3.32Å; K115-Y119 WeakPolarHBondContact O-CD2 3.43Å; K115-W122 HydrophobicContact CB-CH2 3.7Å; K115-W122 HydrophobicContact CB-CZ3 3.59Å
116	R	97.9	Very high	96.6	Very high	46 Å²	46	72.7 Å²	72.7	17%	0.174	33%	0.326	C	S	.	.	H	α-helix	trans	-54	-29.4	172.7	-78.4	173	-176.3	-94	2.9	113.2	D112 E113 C114 F118 Y119 W122 K176 K177	D112-R116 VanDerWaalsContact O-CG 3.29Å; D112-R116 WeakPolarHBondContact O-CG 3.32Å; D112-R116 PolarHBondContact O-N 3.07Å; E113-R116 WeakPolarHBondContact O-CB 3.15Å; C114-R116 PolarHBondContact O-N 2.86Å; R116-F118 VanDerWaalsContact C-N 3.26Å; R116-F118 PolarHBondContact O-N 2.85Å; R116-Y119 PolarHBondContact O-N 3.45Å; R116-Y119 VanDerWaalsContact O-O 3.07Å; R116-W122 HydrophobicContact CB-CD2 4.43Å; R116-W122 HydrophobicContact CB-CE3 4.1Å; R116-W122 HydrophobicContact CB-CZ3 4.46Å; R116-W122 HydrophobicContact CG-CB 4.25Å; R116-W122 HydrophobicContact CG-CD2 3.34Å; R116-W122 HydrophobicContact CG-CE3 3.43Å; R116-W122 VanDerWaalsContact CG-CE3 3.43Å; R116-W122 HydrophobicContact CG-CG 3.74Å; R116-W122 HydrophobicContact CG-CH2 4.23Å; R116-W122 HydrophobicContact CG-CZ2 4.18Å; R116-W122 HydrophobicContact CG-CZ3 3.9Å; R116-W122 VanDerWaalsContact NH1-CD1 3.27Å; R116-K176 WeakPolarHBondContact CD-O 3.48Å; R116-K177 HydrophobicContact CB-CB 4.38Å; R116-K177 HydrophobicContact CB-CG 4.2Å; R116-K177 WeakPolarHBondContact O-CE 3.3Å; R116-K177 PolarHBondContact O-NZ 2.84Å
117	R	97.1	Very high	96.5	Very high	78 Å²	78	75 Å²	75	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-39.4	176	-172.1	45.9	60.4	177.4	3.2	111.9	C114 K115 Y119 K177 S178 H179 L180	C114-R117 WeakPolarHBondContact O-CA 3.48Å; C114-R117 WeakPolarHBondContact O-CB 3.42Å; C114-R117 PolarHBondContact O-N 3.23Å; K115-R117 PolarHBondContact O-N 2.72Å; K115-R117 VanDerWaalsContact O-N 3.1Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; R117-K177 PolarHBondContact NH2-O 3.09Å; R117-K177 VanDerWaalsContact O-CE 3.3Å; R117-K177 WeakPolarHBondContact O-CE 3.18Å; R117-K177 PolarHBondContact O-NZ 3.37Å; R117-S178 PolarHBondContact NE-O 3.12Å; R117-S178 PolarHBondContact NH2-O 3.16Å; R117-H179 PolarHBondContact NH2-CD2 2.72Å; R117-H179 VanDerWaalsContact NH2-CD2 3.3Å; R117-L180 HydrophobicContact CB-CD1 3.6Å; R117-L180 HydrophobicContact CG-CB 4.35Å; R117-L180 HydrophobicContact CG-CD1 3.43Å; R117-L180 VanDerWaalsContact CG-CD1 3.43Å; R117-L180 HydrophobicContact CG-CG 4.26Å
118	F	97.4	Very high	96.5	Very high	91 Å²	91	81.6 Å²	81.6	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-79.2	-13.6	-176.6	-56.9	-84.8	0	0	0	113.7	F106 C114 K115 R116 F130 L180	F106-F118 HydrophobicContact CE1-CZ 4.46Å; C114-F118 VanDerWaalsContact O-CD2 3.28Å; C114-F118 WeakPolarHBondContact O-CD2 3.4Å; C114-F118 WeakPolarHBondContact O-CE2 3.23Å; K115-F118 WeakPolarHBondContact O-CB 3.45Å; K115-F118 PolarHBondContact O-N 2.95Å; R116-F118 VanDerWaalsContact C-N 3.26Å; R116-F118 PolarHBondContact O-N 2.85Å; F118-F130 HydrophobicContact CD1-CE2 4.15Å; F118-F130 AromaticContact CD2-CE2 3.81Å; F118-F130 HydrophobicContact CD2-CE2 3.81Å; F118-F130 AromaticContact CE1-CE2 3.85Å; F118-F130 HydrophobicContact CE1-CE2 3.85Å; F118-F130 AromaticContact CE1-CZ 3.92Å; F118-F130 HydrophobicContact CE1-CZ 3.92Å; F118-F130 HydrophobicContact CE2-CD2 4.46Å; F118-F130 AromaticContact CE2-CE2 3.49Å; F118-F130 HydrophobicContact CE2-CE2 3.49Å; F118-F130 VanDerWaalsContact CE2-CE2 3.49Å; F118-F130 HydrophobicContact CE2-CZ 4.14Å; F118-F130 HydrophobicContact CG-CE2 4.13Å; F118-F130 AromaticContact CZ-CE2 3.51Å; F118-F130 HydrophobicContact CZ-CE2 3.51Å; F118-F130 AromaticContact CZ-CZ 3.68Å; F118-F130 HydrophobicContact CZ-CZ 3.68Å; F118-L180 HydrophobicContact CE2-CD1 3.89Å; F118-L180 HydrophobicContact CZ-CD1 3.8Å
119	Y	97.6	Very high	96.6	Very high	51 Å²	51	80.4 Å²	80.4	20%	0.2	36%	0.362	C	S	.	.			trans	-104	143.3	175.5	-67.9	-77.6	0	0	0	112.5	K115 R116 R117 W122 K128 A129 K177	K115-Y119 VanDerWaalsContact O-CD2 3.32Å; K115-Y119 WeakPolarHBondContact O-CD2 3.43Å; R116-Y119 PolarHBondContact O-N 3.45Å; R116-Y119 VanDerWaalsContact O-O 3.07Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; Y119-W122 AromaticContact CD2-CE3 3.53Å; Y119-W122 HydrophobicContact CD2-CE3 3.53Å; Y119-W122 AromaticContact CD2-CZ3 3.59Å; Y119-W122 HydrophobicContact CD2-CZ3 3.59Å; Y119-W122 HydrophobicContact CE2-CE3 4.23Å; Y119-W122 AromaticContact CE2-CZ3 3.9Å; Y119-W122 HydrophobicContact CE2-CZ3 3.9Å; Y119-W122 HydrophobicContact CG-CE3 4.16Å; Y119-K128 PolarHBondContact OH-N 2.74Å; Y119-A129 HydrophobicContact CE2-CB 3.65Å; Y119-A129 PolarHBondContact OH-N 2.85Å; Y119-K177 PolarHBondContact O-NZ 3.33Å
120	K	96.3	Very high	96.6	Very high	209 Å²	209	77 Å²	77	91%	0.909	35%	0.346	S	S	*	.	S	Bend	trans	-81.6	-48.8	166.1	-69.1	-69.9	-175.3	165.5	0	110.8
121	N	96.9	Very high	96.6	Very high	81 Å²	81	79.2 Å²	79.2	43%	0.433	36%	0.36	S	S	.	.	S	Bend	trans	-114.5	98.7	174.4	-169.5	-19.7	0	0	0	109.8	Y123 K124 S125	N121-Y123 PolarHBondContact OD1-N 2.89Å; N121-K124 WeakPolarHBondContact ND2-CD 3.32Å; N121-K124 PolarHBondContact OD1-N 2.89Å; N121-S125 WeakPolarHBondContact O-CB 3.02Å; N121-S125 PolarHBondContact O-N 2.93Å
122	W	97	Very high	96.6	Very high	27 Å²	27	86.2 Å²	86.2	10%	0.102	39%	0.386	C	S	.	.	S	Bend	trans	-66.3	-46.2	-179.3	177.1	-97.3	0	0	0	112.1	D112 K115 R116 Y119 K124 S125 K127	D112-W122 HydrophobicContact CB-CH2 4.31Å; D112-W122 HydrophobicContact CB-CZ2 4.19Å; K115-W122 HydrophobicContact CB-CH2 3.7Å; K115-W122 HydrophobicContact CB-CZ3 3.59Å; R116-W122 HydrophobicContact CB-CD2 4.43Å; R116-W122 HydrophobicContact CB-CE3 4.1Å; R116-W122 HydrophobicContact CB-CZ3 4.46Å; R116-W122 HydrophobicContact CG-CB 4.25Å; R116-W122 HydrophobicContact CG-CD2 3.34Å; R116-W122 HydrophobicContact CG-CE3 3.43Å; R116-W122 VanDerWaalsContact CG-CE3 3.43Å; R116-W122 HydrophobicContact CG-CG 3.74Å; R116-W122 HydrophobicContact CG-CH2 4.23Å; R116-W122 HydrophobicContact CG-CZ2 4.18Å; R116-W122 HydrophobicContact CG-CZ3 3.9Å; R116-W122 VanDerWaalsContact NH1-CD1 3.27Å; Y119-W122 AromaticContact CD2-CE3 3.53Å; Y119-W122 HydrophobicContact CD2-CE3 3.53Å; Y119-W122 AromaticContact CD2-CZ3 3.59Å; Y119-W122 HydrophobicContact CD2-CZ3 3.59Å; Y119-W122 HydrophobicContact CE2-CE3 4.23Å; Y119-W122 AromaticContact CE2-CZ3 3.9Å; Y119-W122 HydrophobicContact CE2-CZ3 3.9Å; Y119-W122 HydrophobicContact CG-CE3 4.16Å; W122-K124 PolarHBondContact O-N 3.2Å; W122-S125 PolarHBondContact O-N 2.71Å; W122-S125 VanDerWaalsContact O-N 3.12Å; W122-S125 PolarHBondContact O-OG 2.85Å; W122-K127 HydrophobicContact CD2-CG 4.24Å; W122-K127 HydrophobicContact CE3-CG 4.28Å; W122-K127 HydrophobicContact CH2-CB 4.18Å; W122-K127 HydrophobicContact CH2-CG 3.85Å; W122-K127 HydrophobicContact CZ2-CB 4.5Å; W122-K127 HydrophobicContact CZ2-CG 3.77Å; W122-K127 HydrophobicContact CZ3-CB 4.45Å; W122-K127 HydrophobicContact CZ3-CG 4.08Å; W122-K127 WeakPolarHBondContact O-CE 3.28Å
123	Y	95.9	Very high	96.6	Very high	158 Å²	158	84.3 Å²	84.3	62%	0.62	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-43.4	-170.6	-65.9	-77.7	0	0	0	112.4	N121 S125 K127	N121-Y123 PolarHBondContact OD1-N 2.89Å; Y123-S125 VanDerWaalsContact C-N 3.32Å; Y123-S125 PolarHBondContact O-N 2.63Å; Y123-K127 PolarHBondContact O-NZ 3.18Å
124	K	97.1	Very high	96.5	Very high	184 Å²	184	84.7 Å²	84.7	80%	0.8	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.4	177.2	-62	-166.5	178.9	-170.4	0	114.6	N121 W122	N121-K124 WeakPolarHBondContact ND2-CD 3.32Å; N121-K124 PolarHBondContact OD1-N 2.89Å; W122-K124 PolarHBondContact O-N 3.2Å
125	S	97.3	Very high	96.4	Very high	19 Å²	19	91.8 Å²	91.8	13%	0.133	41%	0.407	C	S	.	.	S	Bend	trans	-81.1	159	-178.6	73.9	0	0	0	0	112.1	N121 W122 Y123 K127	N121-S125 WeakPolarHBondContact O-CB 3.02Å; N121-S125 PolarHBondContact O-N 2.93Å; W122-S125 PolarHBondContact O-N 2.71Å; W122-S125 VanDerWaalsContact O-N 3.12Å; W122-S125 PolarHBondContact O-OG 2.85Å; Y123-S125 VanDerWaalsContact C-N 3.32Å; Y123-S125 PolarHBondContact O-N 2.63Å; S125-K127 VanDerWaalsContact C-N 3.25Å; S125-K127 WeakPolarHBondContact O-CD 3.47Å; S125-K127 WeakPolarHBondContact O-CE 3.42Å; S125-K127 PolarHBondContact O-N 3.46Å; S125-K127 PolarHBondContact O-NZ 2.95Å; S125-K127 PolarHBondContact OG-N 3.36Å
126	K	97	Very high	96.3	Very high	187 Å²	187	92.2 Å²	92.2	81%	0.813	41%	0.409	S	S	*	.			trans	-82.3	3.2	169.8	-62.4	-174.3	179.2	-177.3	0	113.7	K128	K126-K128 VanDerWaalsContact C-N 3.26Å; K126-K128 HydrophobicContact CB-CG 4.09Å; K126-K128 PolarHBondContact O-N 2.75Å; K126-K128 VanDerWaalsContact O-N 3.15Å
127	K	96.6	Very high	96.1	Very high	85 Å²	85	91.9 Å²	91.9	37%	0.37	41%	0.408	S	S	.	.			trans	52.8	31.9	178.1	-54.2	96.1	-170	166.3	0	115.6	W122 Y123 S125 A129	W122-K127 HydrophobicContact CD2-CG 4.24Å; W122-K127 HydrophobicContact CE3-CG 4.28Å; W122-K127 HydrophobicContact CH2-CB 4.18Å; W122-K127 HydrophobicContact CH2-CG 3.85Å; W122-K127 HydrophobicContact CZ2-CB 4.5Å; W122-K127 HydrophobicContact CZ2-CG 3.77Å; W122-K127 HydrophobicContact CZ3-CB 4.45Å; W122-K127 HydrophobicContact CZ3-CG 4.08Å; W122-K127 WeakPolarHBondContact O-CE 3.28Å; Y123-K127 PolarHBondContact O-NZ 3.18Å; S125-K127 VanDerWaalsContact C-N 3.25Å; S125-K127 WeakPolarHBondContact O-CD 3.47Å; S125-K127 WeakPolarHBondContact O-CE 3.42Å; S125-K127 PolarHBondContact O-N 3.46Å; S125-K127 PolarHBondContact O-NZ 2.95Å; S125-K127 PolarHBondContact OG-N 3.36Å; K127-A129 VanDerWaalsContact C-N 3.32Å; K127-A129 PolarHBondContact O-N 2.96Å
128	K	96.5	Very high	96	Very high	141 Å²	141	93.4 Å²	93.4	61%	0.613	42%	0.419	S	S	*	.			trans	-80.1	8.9	-178.4	-65.1	-69.1	-174.4	177.6	0	116.3	Y119 K126 F130 T131	Y119-K128 PolarHBondContact OH-N 2.74Å; K126-K128 VanDerWaalsContact C-N 3.26Å; K126-K128 HydrophobicContact CB-CG 4.09Å; K126-K128 PolarHBondContact O-N 2.75Å; K126-K128 VanDerWaalsContact O-N 3.15Å; K128-F130 PolarHBondContact O-N 2.98Å; K128-T131 HydrophobicContact CD-CG2 4.27Å; K128-T131 PolarHBondContact O-N 2.96Å; K128-T131 PolarHBondContact O-OG1 3.4Å; K128-T131 VanDerWaalsContact O-OG1 3.12Å
129	A	95.8	Very high	95.9	Very high	17 Å²	17	93.4 Å²	93.4	14%	0.14	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	133.7	178.9	0	0	0	0	0	110.1	Y119 K127 T131	Y119-A129 HydrophobicContact CE2-CB 3.65Å; Y119-A129 PolarHBondContact OH-N 2.85Å; K127-A129 VanDerWaalsContact C-N 3.32Å; K127-A129 PolarHBondContact O-N 2.96Å; A129-T131 PolarHBondContact O-N 3.45Å; A129-T131 VanDerWaalsContact O-N 3.16Å
130	F	96.4	Very high	95.8	Very high	40 Å²	40	96.1 Å²	96.1	18%	0.175	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	4.4	-179.2	-61.4	-85.5	0	0	0	116.7	F106 F118 K128 K132 Y133 C134	F106-F130 HydrophobicContact CB-CD1 4.26Å; F106-F130 HydrophobicContact CB-CE1 3.9Å; F106-F130 AromaticContact CD1-CE1 3.8Å; F106-F130 HydrophobicContact CD1-CE1 3.8Å; F106-F130 AromaticContact CD1-CZ 3.98Å; F106-F130 HydrophobicContact CD1-CZ 3.98Å; F106-F130 AromaticContact CD2-CE1 3.52Å; F106-F130 HydrophobicContact CD2-CE1 3.52Å; F106-F130 HydrophobicContact CD2-CZ 4.15Å; F106-F130 HydrophobicContact CE1-CE1 4.16Å; F106-F130 AromaticContact CE1-CZ 3.93Å; F106-F130 HydrophobicContact CE1-CZ 3.93Å; F106-F130 AromaticContact CE2-CE1 3.89Å; F106-F130 HydrophobicContact CE2-CE1 3.89Å; F106-F130 HydrophobicContact CE2-CZ 4.09Å; F106-F130 HydrophobicContact CG-CD1 4.29Å; F106-F130 AromaticContact CG-CE1 3.45Å; F106-F130 HydrophobicContact CG-CE1 3.45Å; F106-F130 VanDerWaalsContact CG-CE1 3.45Å; F106-F130 HydrophobicContact CG-CZ 4.08Å; F106-F130 HydrophobicContact CZ-CE1 4.2Å; F106-F130 AromaticContact CZ-CZ 3.98Å; F106-F130 HydrophobicContact CZ-CZ 3.98Å; F118-F130 HydrophobicContact CD1-CE2 4.15Å; F118-F130 AromaticContact CD2-CE2 3.81Å; F118-F130 HydrophobicContact CD2-CE2 3.81Å; F118-F130 AromaticContact CE1-CE2 3.85Å; F118-F130 HydrophobicContact CE1-CE2 3.85Å; F118-F130 AromaticContact CE1-CZ 3.92Å; F118-F130 HydrophobicContact CE1-CZ 3.92Å; F118-F130 HydrophobicContact CE2-CD2 4.46Å; F118-F130 AromaticContact CE2-CE2 3.49Å; F118-F130 HydrophobicContact CE2-CE2 3.49Å; F118-F130 VanDerWaalsContact CE2-CE2 3.49Å; F118-F130 HydrophobicContact CE2-CZ 4.14Å; F118-F130 HydrophobicContact CG-CE2 4.13Å; F118-F130 AromaticContact CZ-CE2 3.51Å; F118-F130 HydrophobicContact CZ-CE2 3.51Å; F118-F130 AromaticContact CZ-CZ 3.68Å; F118-F130 HydrophobicContact CZ-CZ 3.68Å; K128-F130 PolarHBondContact O-N 2.98Å; F130-K132 PolarHBondContact O-N 2.93Å; F130-Y133 HydrophobicContact CD1-CD1 4.34Å; F130-Y133 HydrophobicContact CD1-CG 4.32Å; F130-Y133 PolarHBondContact O-N 3.13Å; F130-Y133 VanDerWaalsContact O-N 3.12Å; F130-C134 WeakPolarHBondContact O-CB 3.44Å; F130-C134 PolarHBondContact O-N 3.37Å
131	T	95.2	Very high	95.8	Very high	59 Å²	59	91.1 Å²	91.1	36%	0.362	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-40.1	-178	56.9	0	0	0	0	113	K128 A129 Y133 K135	K128-T131 HydrophobicContact CD-CG2 4.27Å; K128-T131 PolarHBondContact O-N 2.96Å; K128-T131 PolarHBondContact O-OG1 3.4Å; K128-T131 VanDerWaalsContact O-OG1 3.12Å; A129-T131 PolarHBondContact O-N 3.45Å; A129-T131 VanDerWaalsContact O-N 3.16Å; T131-Y133 VanDerWaalsContact C-N 3.35Å; T131-K135 PolarHBondContact O-N 3.15Å
132	K	94.9	Very high	95.8	Very high	183 Å²	183	87.6 Å²	87.6	80%	0.796	40%	0.403	S	S	*	.	H	α-helix	trans	-71	-33.4	174.3	-65.2	-171.7	177.7	-171.7	0	112.1	F130 K135 K136	F130-K132 PolarHBondContact O-N 2.93Å; K132-K135 PolarHBondContact O-N 3.47Å; K132-K136 PolarHBondContact O-N 3.05Å
133	Y	95.1	Very high	95.7	Very high	50 Å²	50	90.1 Å²	90.1	20%	0.196	42%	0.415	C	S	.	.	H	α-helix	trans	-72.8	-37.2	-178.1	-168.6	-84.9	0	0	0	111.6	I105 F106 F130 T131 K136 W137	I105-Y133 WeakPolarHBondContact CA-OH 3.49Å; F106-Y133 HydrophobicContact CB-CD1 4.16Å; F106-Y133 HydrophobicContact CB-CE1 3.66Å; F106-Y133 PolarHBondContact N-OH 2.76Å; F106-Y133 WeakPolarHBondContact O-CE1 3.45Å; F106-Y133 PolarHBondContact O-OH 2.76Å; F130-Y133 HydrophobicContact CD1-CD1 4.34Å; F130-Y133 HydrophobicContact CD1-CG 4.32Å; F130-Y133 PolarHBondContact O-N 3.13Å; F130-Y133 VanDerWaalsContact O-N 3.12Å; T131-Y133 VanDerWaalsContact C-N 3.35Å; Y133-K136 VanDerWaalsContact O-CB 3.28Å; Y133-K136 WeakPolarHBondContact O-CB 3.21Å; Y133-K136 PolarHBondContact O-N 2.77Å; Y133-K136 VanDerWaalsContact O-N 3.15Å; Y133-W137 AromaticContact CD1-CD1 4Å; Y133-W137 AromaticContact CE1-CD1 3.7Å; Y133-W137 AromaticContact CE1-NE1 3.29Å; Y133-W137 VanDerWaalsContact CE1-NE1 3.29Å; Y133-W137 PolarHBondContact O-N 3.07Å
134	C	94.6	Very high	95.8	Very high	28 Å²	28	88.1 Å²	88.1	19%	0.189	41%	0.409	C	S	.	.	H	α-helix	trans	-58.6	-46.2	170.1	179.5	0	0	0	0	111.1	F130 K136 W137	F130-C134 WeakPolarHBondContact O-CB 3.44Å; F130-C134 PolarHBondContact O-N 3.37Å; C134-K136 PolarHBondContact O-N 3.09Å; C134-W137 WeakPolarHBondContact O-CB 3.4Å; C134-W137 PolarHBondContact O-N 3.43Å
135	K	95.2	Very high	95.8	Very high	149 Å²	149	83.1 Å²	83.1	65%	0.648	39%	0.389	S	S	*	.	H	α-helix	trans	-58.1	-32.6	174.5	-68	-174.1	175.8	-160.2	0	113.4	T131 K132 W137 Q138 D139	T131-K135 PolarHBondContact O-N 3.15Å; K132-K135 PolarHBondContact O-N 3.47Å; K135-W137 VanDerWaalsContact C-N 3.27Å; K135-W137 PolarHBondContact O-N 3.12Å; K135-Q138 PolarHBondContact O-N 3.21Å; K135-Q138 VanDerWaalsContact O-N 3.13Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 PolarHBondContact O-N 3.4Å
136	K	94.4	Very high	95.7	Very high	53 Å²	53	82.2 Å²	82.2	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-30.8	175	-170.6	-169.4	173.3	-165.7	0	112.5	K132 Y133 C134 Q138 G142 K143 L146 D149	K132-K136 PolarHBondContact O-N 3.05Å; Y133-K136 VanDerWaalsContact O-CB 3.28Å; Y133-K136 WeakPolarHBondContact O-CB 3.21Å; Y133-K136 PolarHBondContact O-N 2.77Å; Y133-K136 VanDerWaalsContact O-N 3.15Å; C134-K136 PolarHBondContact O-N 3.09Å; K136-Q138 VanDerWaalsContact C-N 3.28Å; K136-G142 WeakPolarHBondContact CE-O 3.3Å; K136-G142 CarbonylContact O-C 3.46Å; K136-G142 WeakPolarHBondContact O-CA 3.27Å; K136-K143 PolarHBondContact O-N 2.83Å; K136-L146 HydrophobicContact CD-CG 4.48Å; K136-D149 IonicContact NZ-OD2 2.82Å; K136-D149 PolarHBondContact NZ-OD2 3.42Å
137	W	94.6	Very high	95.7	Very high	39 Å²	39	77.4 Å²	77.4	15%	0.148	36%	0.363	C	S	.	.	H	α-helix	trans	-73.2	-23.1	175.2	-82.9	95	0	0	0	112.8	I105 F106 E108 Y133 C134 K135 K143 L146 F150 L201	I105-W137 HydrophobicContact CG2-CZ2 3.91Å; F106-W137 VanDerWaalsContact O-CZ2 3.28Å; F106-W137 WeakPolarHBondContact O-CZ2 3.03Å; F106-W137 PolarHBondContact O-NE1 3.15Å; E108-W137 HydrophobicContact CB-CB 3.81Å; E108-W137 HydrophobicContact CB-CD2 4.17Å; E108-W137 HydrophobicContact CB-CG 3.72Å; E108-W137 HydrophobicContact CG-CB 3.7Å; E108-W137 HydrophobicContact CG-CG 4.15Å; Y133-W137 AromaticContact CD1-CD1 4Å; Y133-W137 AromaticContact CE1-CD1 3.7Å; Y133-W137 AromaticContact CE1-NE1 3.29Å; Y133-W137 VanDerWaalsContact CE1-NE1 3.29Å; Y133-W137 PolarHBondContact O-N 3.07Å; C134-W137 WeakPolarHBondContact O-CB 3.4Å; C134-W137 PolarHBondContact O-N 3.43Å; K135-W137 VanDerWaalsContact C-N 3.27Å; K135-W137 PolarHBondContact O-N 3.12Å; W137-K143 WeakPolarHBondContact O-CE 3.49Å; W137-K143 VanDerWaalsContact O-CG 3.27Å; W137-K143 WeakPolarHBondContact O-CG 3.28Å; W137-L146 HydrophobicContact CB-CD1 4.43Å; W137-L146 HydrophobicContact CD2-CD1 3.4Å; W137-L146 HydrophobicContact CE3-CD1 3.75Å; W137-L146 HydrophobicContact CG-CD1 3.71Å; W137-L146 HydrophobicContact CH2-CD1 4.36Å; W137-L146 HydrophobicContact CZ2-CD1 4.07Å; W137-L146 HydrophobicContact CZ2-CD2 4.29Å; W137-L146 HydrophobicContact CZ3-CD1 4.21Å; W137-F150 AromaticContact CH2-CE2 3.99Å; W137-F150 HydrophobicContact CH2-CE2 3.99Å; W137-F150 HydrophobicContact CH2-CZ 4.24Å; W137-L201 HydrophobicContact CH2-CD1 4.1Å; W137-L201 HydrophobicContact CZ2-CD1 4.27Å
138	Q	94.6	Very high	95.8	Very high	110 Å²	110	80 Å²	80	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-91.2	-34.9	-179.2	-61.9	179.6	-13.9	0	0	112.3	E108 K135 K136 K143	E108-Q138 VanDerWaalsContact OE1-CG 3.28Å; E108-Q138 WeakPolarHBondContact OE1-CG 3.48Å; E108-Q138 PolarHBondContact OE1-NE2 3.3Å; K135-Q138 PolarHBondContact O-N 3.21Å; K135-Q138 VanDerWaalsContact O-N 3.13Å; K136-Q138 VanDerWaalsContact C-N 3.28Å; Q138-K143 WeakPolarHBondContact O-CE 3.27Å; Q138-K143 PolarHBondContact O-NZ 3.19Å
139	D	95.7	Very high	95.8	Very high	91 Å²	91	74 Å²	74	49%	0.487	35%	0.349	S	S	.	.	S	Bend	trans	-71.3	138.5	178.7	-179.1	33.7	0	0	0	112.7	K135 D141 G142 K143	K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 PolarHBondContact O-N 3.4Å; D139-D141 PolarHBondContact O-N 2.95Å; D139-G142 WeakPolarHBondContact O-CA 3.24Å; D139-G142 PolarHBondContact O-N 3.41Å; D139-K143 WeakPolarHBondContact O-CG 3.42Å; D139-K143 PolarHBondContact O-N 3.29Å
140	E	95.8	Very high	95.9	Very high	108 Å²	108	73.4 Å²	73.4	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-65.5	-42.8	-174.5	-72.7	-56	126.5	0	0	112.3	G142 K143 K144	E140-G142 VanDerWaalsContact C-N 3.31Å; E140-G142 PolarHBondContact O-N 2.88Å; E140-K143 PolarHBondContact O-N 3.32Å; E140-K143 IonicContact OE1-NZ 3.2Å; E140-K143 PolarHBondContact OE1-NZ 3.48Å; E140-K144 WeakPolarHBondContact O-CG 3.16Å; E140-K144 PolarHBondContact O-N 2.88Å
141	D	96.2	Very high	96	Very high	105 Å²	105	74.1 Å²	74.1	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-71.3	-31.7	176	-71	-23.7	0	0	0	111.8	D139 K144 Q145	D139-D141 PolarHBondContact O-N 2.95Å; D141-K144 PolarHBondContact O-N 3.28Å; D141-K144 IonicContact OD1-NZ 2.68Å; D141-K144 PolarHBondContact OD1-NZ 3.36Å; D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 PolarHBondContact O-N 2.99Å
142	G	95.8	Very high	96.1	Very high	6 Å²	6	72.2 Å²	72.2	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-45.2	171	0	0	0	0	0	113.1	K136 D139 E140 Q145 L146	K136-G142 WeakPolarHBondContact CE-O 3.3Å; K136-G142 CarbonylContact O-C 3.46Å; K136-G142 WeakPolarHBondContact O-CA 3.27Å; D139-G142 WeakPolarHBondContact O-CA 3.24Å; D139-G142 PolarHBondContact O-N 3.41Å; E140-G142 VanDerWaalsContact C-N 3.31Å; E140-G142 PolarHBondContact O-N 2.88Å; G142-Q145 PolarHBondContact O-N 2.97Å; G142-L146 WeakPolarHBondContact O-CG 3.14Å; G142-L146 PolarHBondContact O-N 3.41Å
143	K	95.8	Very high	96.3	Very high	80 Å²	80	63.5 Å²	63.5	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-48.2	173.7	-70.3	173.2	-167	164.4	0	111.5	K136 W137 Q138 D139 E140 Q145 L146 E147	K136-K143 PolarHBondContact O-N 2.83Å; W137-K143 WeakPolarHBondContact O-CE 3.49Å; W137-K143 VanDerWaalsContact O-CG 3.27Å; W137-K143 WeakPolarHBondContact O-CG 3.28Å; Q138-K143 WeakPolarHBondContact O-CE 3.27Å; Q138-K143 PolarHBondContact O-NZ 3.19Å; D139-K143 WeakPolarHBondContact O-CG 3.42Å; D139-K143 PolarHBondContact O-N 3.29Å; E140-K143 PolarHBondContact O-N 3.32Å; E140-K143 IonicContact OE1-NZ 3.2Å; E140-K143 PolarHBondContact OE1-NZ 3.48Å; K143-Q145 PolarHBondContact O-N 2.65Å; K143-L146 WeakPolarHBondContact O-CA 3.45Å; K143-L146 WeakPolarHBondContact O-CB 3.49Å; K143-L146 PolarHBondContact O-N 3.44Å; K143-E147 PolarHBondContact O-N 2.9Å
144	K	97	Very high	96.4	Very high	117 Å²	117	64.5 Å²	64.5	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-55.4	-40.9	174.7	-69	172.8	-163.2	157	0	111.7	E140 D141 E147 K148	E140-K144 WeakPolarHBondContact O-CG 3.16Å; E140-K144 PolarHBondContact O-N 2.88Å; D141-K144 PolarHBondContact O-N 3.28Å; D141-K144 IonicContact OD1-NZ 2.68Å; D141-K144 PolarHBondContact OD1-NZ 3.36Å; K144-E147 PolarHBondContact O-N 3.18Å; K144-K148 WeakPolarHBondContact O-CG 3.26Å; K144-K148 PolarHBondContact O-N 3.4Å
145	Q	96.7	Very high	96.6	Very high	78 Å²	78	70.6 Å²	70.6	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-67.9	-37.4	176.4	-175.6	57.7	42.4	0	0	112.5	D141 G142 K143 K148 D149	D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 PolarHBondContact O-N 2.99Å; G142-Q145 PolarHBondContact O-N 2.97Å; K143-Q145 PolarHBondContact O-N 2.65Å; Q145-K148 PolarHBondContact O-N 3.43Å; Q145-D149 PolarHBondContact NE2-OD1 3.43Å; Q145-D149 WeakPolarHBondContact O-CB 3.38Å; Q145-D149 PolarHBondContact O-N 2.98Å
146	L	96.3	Very high	96.7	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-42.1	175.1	-71.9	165.5	0	0	0	111.6	I105 K136 W137 G142 K143 K148 D149 F150	I105-L146 HydrophobicContact CG2-CD2 3.95Å; K136-L146 HydrophobicContact CD-CG 4.48Å; W137-L146 HydrophobicContact CB-CD1 4.43Å; W137-L146 HydrophobicContact CD2-CD1 3.4Å; W137-L146 HydrophobicContact CE3-CD1 3.75Å; W137-L146 HydrophobicContact CG-CD1 3.71Å; W137-L146 HydrophobicContact CH2-CD1 4.36Å; W137-L146 HydrophobicContact CZ2-CD1 4.07Å; W137-L146 HydrophobicContact CZ2-CD2 4.29Å; W137-L146 HydrophobicContact CZ3-CD1 4.21Å; G142-L146 WeakPolarHBondContact O-CG 3.14Å; G142-L146 PolarHBondContact O-N 3.41Å; K143-L146 WeakPolarHBondContact O-CA 3.45Å; K143-L146 WeakPolarHBondContact O-CB 3.49Å; K143-L146 PolarHBondContact O-N 3.44Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.24Å; L146-D149 WeakPolarHBondContact O-CA 3.46Å; L146-D149 WeakPolarHBondContact O-CB 3.46Å; L146-D149 PolarHBondContact O-N 2.94Å; L146-D149 VanDerWaalsContact O-N 3.1Å; L146-F150 WeakPolarHBondContact O-CD2 3.23Å; L146-F150 PolarHBondContact O-N 2.98Å
147	E	97	Very high	96.8	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-45.2	173.2	-67.4	-50.8	139.1	0	0	111.6	K143 K144 D149 F150 A151 R198	K143-E147 PolarHBondContact O-N 2.9Å; K144-E147 PolarHBondContact O-N 3.18Å; E147-D149 VanDerWaalsContact C-N 3.28Å; E147-D149 PolarHBondContact O-N 3.27Å; E147-F150 PolarHBondContact O-N 3.16Å; E147-A151 WeakPolarHBondContact O-CB 3.2Å; E147-A151 PolarHBondContact O-N 2.8Å; E147-R198 VanDerWaalsContact CD-NH1 3.26Å; E147-R198 IonicContact OE1-CZ 3.76Å; E147-R198 IonicContact OE1-NH1 2.77Å; E147-R198 PolarHBondContact OE1-NH1 3.14Å; E147-R198 IonicContact OE1-NH2 3.87Å; E147-R198 PolarHBondContact OE1-NH2 3.18Å; E147-R198 IonicContact OE2-CZ 2.67Å; E147-R198 IonicContact OE2-NH1 2.81Å; E147-R198 PolarHBondContact OE2-NH1 3.38Å; E147-R198 IonicContact OE2-NH2 2.99Å
148	K	97.6	Very high	97	Very high	139 Å²	139	69 Å²	69	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-58.8	-40.3	173	-73.9	177.3	-179	178.6	0	111.8	K144 Q145 L146 A152	K144-K148 WeakPolarHBondContact O-CG 3.26Å; K144-K148 PolarHBondContact O-N 3.4Å; Q145-K148 PolarHBondContact O-N 3.43Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.24Å; K148-A152 VanDerWaalsContact O-CB 3.26Å; K148-A152 WeakPolarHBondContact O-CB 3.38Å; K148-A152 PolarHBondContact O-N 2.87Å
149	D	97.6	Very high	97.1	Very high	16 Å²	16	65 Å²	65	9%	0.086	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-42.5	178.5	-68.1	-29.2	0	0	0	111.4	K103 I105 K136 Q145 L146 E147 A152 M153	K103-D149 HydrophobicContact CD-CB 4.13Å; K103-D149 WeakPolarHBondContact CE-OD1 3.34Å; K103-D149 IonicContact NZ-OD1 3.95Å; K103-D149 PolarHBondContact NZ-OD1 3.02Å; I105-D149 HydrophobicContact CD1-CB 3.77Å; I105-D149 HydrophobicContact CG1-CB 4.12Å; K136-D149 IonicContact NZ-OD2 2.82Å; K136-D149 PolarHBondContact NZ-OD2 3.42Å; Q145-D149 PolarHBondContact NE2-OD1 3.43Å; Q145-D149 WeakPolarHBondContact O-CB 3.38Å; Q145-D149 PolarHBondContact O-N 2.98Å; L146-D149 WeakPolarHBondContact O-CA 3.46Å; L146-D149 WeakPolarHBondContact O-CB 3.46Å; L146-D149 PolarHBondContact O-N 2.94Å; L146-D149 VanDerWaalsContact O-N 3.1Å; E147-D149 VanDerWaalsContact C-N 3.28Å; E147-D149 PolarHBondContact O-N 3.27Å; D149-A152 PolarHBondContact O-N 3.36Å; D149-M153 WeakPolarHBondContact O-CG 3.19Å; D149-M153 PolarHBondContact O-N 2.75Å
150	F	98	Very high	97.3	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-46.5	174.3	-78.5	-63.7	0	0	0	111.9	I105 W137 L146 E147 A152 M153 K154 V194 R198 L201	I105-F150 HydrophobicContact CB-CE1 4.48Å; I105-F150 HydrophobicContact CB-CZ 4.38Å; I105-F150 HydrophobicContact CD1-CB 4.49Å; I105-F150 HydrophobicContact CD1-CD1 3.5Å; I105-F150 VanDerWaalsContact CD1-CD1 3.5Å; I105-F150 HydrophobicContact CD1-CD2 3.98Å; I105-F150 HydrophobicContact CD1-CE1 3.58Å; I105-F150 HydrophobicContact CD1-CE2 4.04Å; I105-F150 HydrophobicContact CD1-CG 3.71Å; I105-F150 HydrophobicContact CD1-CZ 3.86Å; I105-F150 HydrophobicContact CG2-CE1 4.26Å; I105-F150 HydrophobicContact CG2-CE2 4.09Å; I105-F150 HydrophobicContact CG2-CZ 3.68Å; W137-F150 AromaticContact CH2-CE2 3.99Å; W137-F150 HydrophobicContact CH2-CE2 3.99Å; W137-F150 HydrophobicContact CH2-CZ 4.24Å; L146-F150 WeakPolarHBondContact O-CD2 3.23Å; L146-F150 PolarHBondContact O-N 2.98Å; E147-F150 PolarHBondContact O-N 3.16Å; F150-A152 VanDerWaalsContact C-N 3.3Å; F150-A152 PolarHBondContact O-N 2.8Å; F150-M153 WeakPolarHBondContact O-CB 3.45Å; F150-M153 PolarHBondContact O-N 3.39Å; F150-M153 VanDerWaalsContact O-N 3.08Å; F150-K154 WeakPolarHBondContact O-CG 3.36Å; F150-K154 PolarHBondContact O-N 2.76Å; F150-V194 HydrophobicContact CB-CG1 4.48Å; F150-V194 HydrophobicContact CD1-CG1 3.72Å; F150-V194 HydrophobicContact CE1-CG1 4.48Å; F150-R198 HydrophobicContact CE1-CB 4.23Å; F150-R198 HydrophobicContact CE1-CG 4.44Å; F150-R198 HydrophobicContact CE2-CG 4.5Å; F150-R198 HydrophobicContact CZ-CB 4.36Å; F150-R198 HydrophobicContact CZ-CG 4.12Å; F150-L201 HydrophobicContact CZ-CD1 4.17Å
151	A	98.1	Very high	97.4	Very high	56 Å²	56	57.4 Å²	57.4	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-41.4	176.2	0	0	0	0	0	111.7	E147 M153 K154 K155	E147-A151 WeakPolarHBondContact O-CB 3.2Å; E147-A151 PolarHBondContact O-N 2.8Å; A151-M153 VanDerWaalsContact C-N 3.34Å; A151-M153 PolarHBondContact O-N 2.81Å; A151-K154 PolarHBondContact O-N 3.04Å; A151-K155 WeakPolarHBondContact O-CB 3.41Å; A151-K155 PolarHBondContact O-N 3.46Å
152	A	97.8	Very high	97.5	Very high	18 Å²	18	52.4 Å²	52.4	15%	0.149	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-35.9	174.9	0	0	0	0	0	112.3	F102 K103 K148 D149 F150 K155 Y156	F102-A152 HydrophobicContact CE1-CB 3.91Å; F102-A152 HydrophobicContact CZ-CB 4.34Å; K103-A152 HydrophobicContact CD-CB 4.44Å; K148-A152 VanDerWaalsContact O-CB 3.26Å; K148-A152 WeakPolarHBondContact O-CB 3.38Å; K148-A152 PolarHBondContact O-N 2.87Å; D149-A152 PolarHBondContact O-N 3.36Å; F150-A152 VanDerWaalsContact C-N 3.3Å; F150-A152 PolarHBondContact O-N 2.8Å; A152-K155 PolarHBondContact O-N 2.91Å; A152-Y156 HydrophobicContact CB-CD2 4.21Å; A152-Y156 HydrophobicContact CB-CE2 4.47Å; A152-Y156 WeakPolarHBondContact O-CB 3.49Å; A152-Y156 VanDerWaalsContact O-CD2 3.31Å; A152-Y156 WeakPolarHBondContact O-CD2 3.33Å; A152-Y156 PolarHBondContact O-N 2.87Å
153	M	97.9	Very high	97.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-46.8	172.7	-74.2	-174	-177.6	0	0	111.5	V89 K103 I105 D149 F150 A151 K155 C157 V194	V89-M153 HydrophobicContact CG1-SD 4.28Å; K103-M153 VanDerWaalsContact C-CE 3.46Å; K103-M153 HydrophobicContact CB-CE 3.55Å; K103-M153 HydrophobicContact CB-CG 4.43Å; K103-M153 VanDerWaalsContact O-CE 3.25Å; K103-M153 WeakPolarHBondContact O-CE 3.49Å; I105-M153 HydrophobicContact CB-CE 4.3Å; I105-M153 HydrophobicContact CD1-CE 3.58Å; I105-M153 HydrophobicContact CD1-SD 3.87Å; I105-M153 HydrophobicContact CG1-CE 3.61Å; D149-M153 WeakPolarHBondContact O-CG 3.19Å; D149-M153 PolarHBondContact O-N 2.75Å; F150-M153 WeakPolarHBondContact O-CB 3.45Å; F150-M153 PolarHBondContact O-N 3.39Å; F150-M153 VanDerWaalsContact O-N 3.08Å; A151-M153 VanDerWaalsContact C-N 3.34Å; A151-M153 PolarHBondContact O-N 2.81Å; M153-K155 VanDerWaalsContact C-N 3.31Å; M153-K155 PolarHBondContact O-N 3.06Å; M153-C157 WeakPolarHBondContact O-CB 3.45Å; M153-C157 PolarHBondContact O-N 2.83Å; M153-C157 VanDerWaalsContact O-N 3.12Å; M153-V194 HydrophobicContact CB-CG2 4.14Å
154	K	98.1	Very high	97.8	Very high	72 Å²	72	49.1 Å²	49.1	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-42.1	177.9	-66.8	-175.1	174.2	-165.5	0	112.2	F150 A151 S191 V194 D195	F150-K154 WeakPolarHBondContact O-CG 3.36Å; F150-K154 PolarHBondContact O-N 2.76Å; A151-K154 PolarHBondContact O-N 3.04Å; K154-S191 WeakPolarHBondContact CD-OG 3.38Å; K154-S191 WeakPolarHBondContact CE-OG 3.21Å; K154-S191 PolarHBondContact NZ-OG 3.38Å; K154-S191 VanDerWaalsContact NZ-OG 3.13Å; K154-V194 HydrophobicContact CG-CB 3.84Å; K154-V194 HydrophobicContact CG-CG1 3.91Å; K154-V194 HydrophobicContact CG-CG2 3.96Å; K154-D195 WeakPolarHBondContact CE-OD1 3.44Å; K154-D195 IonicContact NZ-OD1 3.17Å; K154-D195 PolarHBondContact NZ-OD1 3.02Å; K154-D195 IonicContact NZ-OD2 2.54Å; K154-D195 PolarHBondContact NZ-OD2 2.9Å
155	K	97.8	Very high	97.9	Very high	156 Å²	156	43.6 Å²	43.6	68%	0.678	21%	0.208	S	C	*	.	H	α-helix	trans	-75.3	-43.8	-176.1	-173.3	174.1	-179.6	179.3	0	113.9	A151 A152 M153	A151-K155 WeakPolarHBondContact O-CB 3.41Å; A151-K155 PolarHBondContact O-N 3.46Å; A152-K155 PolarHBondContact O-N 2.91Å; M153-K155 VanDerWaalsContact C-N 3.31Å; M153-K155 PolarHBondContact O-N 3.06Å
156	Y	97.5	Very high	97.9	Very high	112 Å²	112	39.9 Å²	39.9	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-107.1	-21.4	-166.1	-62.2	-63.3	0	0	0	115.1	F102 A152 Q158	F102-Y156 HydrophobicContact CE1-CD2 4.22Å; F102-Y156 AromaticContact CZ-CD2 3.76Å; F102-Y156 HydrophobicContact CZ-CD2 3.76Å; F102-Y156 HydrophobicContact CZ-CG 4.27Å; A152-Y156 HydrophobicContact CB-CD2 4.21Å; A152-Y156 HydrophobicContact CB-CE2 4.47Å; A152-Y156 WeakPolarHBondContact O-CB 3.49Å; A152-Y156 VanDerWaalsContact O-CD2 3.31Å; A152-Y156 WeakPolarHBondContact O-CD2 3.33Å; A152-Y156 PolarHBondContact O-N 2.87Å; Y156-Q158 PolarHBondContact O-NE2 3.31Å; Y156-Q158 PolarHBondContact O-OE1 2.89Å
157	C	97.8	Very high	98	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.034	19%	0.191	C	C	.	.			trans	-87.7	143.5	-173.5	-61.6	0	0	0	0	111.7	G91 Y92 F102 M153 I160 I190	G91-C157 VanDerWaalsContact CA-SG 3.52Å; Y92-C157 CarbonylContact O-C 3.54Å; Y92-C157 WeakPolarHBondContact O-CA 3.26Å; Y92-C157 WeakPolarHBondContact O-CB 3.34Å; F102-C157 VanDerWaalsContact CD1-SG 3.55Å; M153-C157 WeakPolarHBondContact O-CB 3.45Å; M153-C157 PolarHBondContact O-N 2.83Å; M153-C157 VanDerWaalsContact O-N 3.12Å; C157-I160 HydrophobicContact CB-CD1 3.87Å; C157-I190 WeakPolarHBondContact O-CG2 3.43Å
158	Q	97.4	Very high	98.1	Very high	91 Å²	91	36 Å²	36	43%	0.425	17%	0.173	S	C	.	.	S	Bend	trans	-103.5	-16.1	173.8	-65.4	73.7	30.9	0	0	111.9	Y92 V93 N94 Y156 I190	Y92-Q158 PolarHBondContact O-N 3.38Å; V93-Q158 VanDerWaalsContact CA-OE1 3.26Å; N94-Q158 HydrophobicContact CB-CG 4.43Å; Y156-Q158 PolarHBondContact O-NE2 3.31Å; Y156-Q158 PolarHBondContact O-OE1 2.89Å; Q158-I190 VanDerWaalsContact O-CD1 3.28Å; Q158-I190 WeakPolarHBondContact O-CD1 3.49Å
159	V	98.3	Very high	98	Very high	24 Å²	24	37.9 Å²	37.9	15%	0.145	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.6	177.9	177.7	0	0	0	0	109.7	Y92 L99 R161 Q184	Y92-V159 PolarHBondContact N-O 2.85Å; Y92-V159 PolarHBondContact O-N 3.42Å; L99-V159 HydrophobicContact CD1-CG2 4.35Å; L99-V159 HydrophobicContact CD2-CG2 4.23Å; V159-R161 HydrophobicContact CG1-CG 4.26Å; V159-Q184 HydrophobicContact CG1-CG 3.87Å
160	I	98.6	Very high	98	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.3	174.8	-56.4	-58.6	0	0	0	109.2	V89 C157 L185 I190 K193 V194	V89-I160 HydrophobicContact CG1-CG2 3.62Å; C157-I160 HydrophobicContact CB-CD1 3.87Å; I160-L185 HydrophobicContact CG2-CD1 4.17Å; I160-L185 PolarHBondContact O-N 2.87Å; I160-L185 VanDerWaalsContact O-N 3.09Å; I160-I190 HydrophobicContact CD1-CG2 4.13Å; I160-I190 HydrophobicContact CG1-CG2 4.01Å; I160-K193 HydrophobicContact CB-CB 4.13Å; I160-K193 HydrophobicContact CG1-CB 4.17Å; I160-K193 HydrophobicContact CG2-CB 4.45Å; I160-V194 HydrophobicContact CD1-CG2 3.67Å; I160-V194 HydrophobicContact CG1-CG2 3.86Å
161	R	98.7	Very high	98	Very high	39 Å²	39	40.4 Å²	40.4	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.2	172.8	-55.5	-160.7	175.5	143.3	4.1	110.5	V89 I90 Y92 V159 E182 V183 Q184	V89-R161 CarbonylContact C-O 3.55Å; V89-R161 WeakPolarHBondContact CA-O 3.41Å; I90-R161 PolarHBondContact N-O 3.34Å; I90-R161 PolarHBondContact O-N 2.85Å; Y92-R161 HydrophobicContact CD2-CG 4.11Å; Y92-R161 HydrophobicContact CE2-CB 4.35Å; Y92-R161 HydrophobicContact CE2-CG 3.89Å; V159-R161 HydrophobicContact CG1-CG 4.26Å; R161-E182 HydrophobicContact CB-CB 4.26Å; R161-E182 WeakPolarHBondContact CD-OE2 3.28Å; R161-E182 IonicContact NH1-OE2 2.77Å; R161-E182 PolarHBondContact NH1-OE2 3.49Å; R161-V183 CarbonylContact C-O 3.22Å; R161-V183 WeakPolarHBondContact CA-O 3.45Å; R161-V183 WeakPolarHBondContact CB-O 2.93Å; R161-Q184 HydrophobicContact CG-CB 4.17Å; R161-Q184 HydrophobicContact CG-CG 4.3Å
162	V	98.6	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	144.9	168.2	-63.8	0	0	0	0	110.4	L43 V86 G88 E182 V183 L185 W196 A197	L43-V162 HydrophobicContact CD2-CG2 3.45Å; L43-V162 VanDerWaalsContact CD2-CG2 3.45Å; V86-V162 HydrophobicContact CG1-CB 3.99Å; V86-V162 HydrophobicContact CG1-CG1 4.18Å; V86-V162 HydrophobicContact CG2-CG2 4.48Å; G88-V162 CarbonylContact O-C 3.45Å; G88-V162 WeakPolarHBondContact O-CA 3.43Å; V162-E182 CarbonylContact O-C 3.55Å; V162-E182 VanDerWaalsContact O-CA 3.23Å; V162-E182 WeakPolarHBondContact O-CA 3.46Å; V162-V183 HydrophobicContact CG2-CB 3.87Å; V162-V183 HydrophobicContact CG2-CG2 4.4Å; V162-V183 PolarHBondContact N-O 3.2Å; V162-V183 PolarHBondContact O-N 3.16Å; V162-L185 HydrophobicContact CG1-CD1 3.81Å; V162-L185 HydrophobicContact CG1-CD2 4.43Å; V162-L185 HydrophobicContact CG1-CG 4.12Å; V162-W196 HydrophobicContact CG1-CZ3 4.37Å; V162-A197 HydrophobicContact CG1-CB 3.74Å
163	I	98.5	Very high	98	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118	168.6	-55.4	176.7	0	0	0	106.7	V87 G88 I90 T104 F106 L180	V87-I163 HydrophobicContact CG2-CB 4.5Å; V87-I163 HydrophobicContact CG2-CG2 4.05Å; V87-I163 WeakPolarHBondContact CG2-O 3.44Å; V87-I163 PolarHBondContact N-O 2.8Å; G88-I163 PolarHBondContact N-O 3.39Å; G88-I163 PolarHBondContact O-N 3.26Å; I90-I163 HydrophobicContact CD1-CD1 3.68Å; I90-I163 HydrophobicContact CD1-CG1 3.75Å; I90-I163 HydrophobicContact CG1-CD1 3.64Å; I90-I163 HydrophobicContact CG1-CG1 3.69Å; T104-I163 HydrophobicContact CG2-CD1 3.81Å; F106-I163 HydrophobicContact CD1-CD1 4.32Å; F106-I163 HydrophobicContact CE1-CD1 3.6Å; F106-I163 HydrophobicContact CE1-CG2 4.49Å; F106-I163 HydrophobicContact CE2-CD1 4.45Å; F106-I163 HydrophobicContact CZ-CD1 3.68Å; I163-L180 HydrophobicContact CG2-CD2 3.43Å; I163-L180 VanDerWaalsContact CG2-CD2 3.43Å
164	A	98.4	Very high	98	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.2	178.7	0	0	0	0	0	111.5	M84 I85 V86 L180 M181 V183	M84-A164 HydrophobicContact CB-CB 4.41Å; M84-A164 HydrophobicContact CE-CB 3.44Å; M84-A164 VanDerWaalsContact CE-CB 3.44Å; I85-A164 CarbonylContact O-C 3.52Å; I85-A164 WeakPolarHBondContact O-CA 3.34Å; V86-A164 HydrophobicContact CG2-CB 4.25Å; A164-L180 WeakPolarHBondContact O-CA 3.5Å; A164-M181 PolarHBondContact N-O 2.85Å; A164-M181 PolarHBondContact O-N 2.77Å; A164-V183 HydrophobicContact CB-CG2 4.47Å
165	H	98.4	Very high	97.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150	175.6	77.5	81.5	0	0	0	112.8	M84 I85 V87 S111 E113 C114 H179 L180	M84-H165 CarbonylContact C-O 3.51Å; M84-H165 VanDerWaalsContact CA-O 3.31Å; M84-H165 WeakPolarHBondContact CA-O 3.35Å; I85-H165 PolarHBondContact N-O 3.48Å; I85-H165 PolarHBondContact O-N 2.95Å; V87-H165 VanDerWaalsContact CG1-CD2 3.4Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.42Å; S111-H165 PolarHBondContact OG-CE1 2.73Å; S111-H165 PolarHBondContact OG-NE2 3.47Å; E113-H165 IonicContact OE1-CE1 2.63Å; E113-H165 PolarHBondContact OE1-CE1 3.41Å; E113-H165 IonicContact OE1-ND1 2.95Å; C114-H165 VanDerWaalsContact SG-CD2 3.55Å; H165-H179 VanDerWaalsContact CA-O 3.26Å; H165-H179 WeakPolarHBondContact CA-O 3.44Å; H165-L180 HydrophobicContact CB-CD2 3.77Å; H165-L180 HydrophobicContact CB-CG 3.93Å
166	T	98.4	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	155.8	172.6	59	0	0	0	0	111.6	L47 Y49 M84 S178 H179	L47-T166 HydrophobicContact CB-CG2 3.44Å; L47-T166 VanDerWaalsContact CB-CG2 3.44Å; L47-T166 HydrophobicContact CD1-CG2 3.78Å; L47-T166 HydrophobicContact CG-CG2 4.24Å; Y49-T166 HydrophobicContact CE2-CG2 3.88Å; Y49-T166 WeakPolarHBondContact OH-CB 3.45Å; Y49-T166 PolarHBondContact OH-OG1 3.38Å; M84-T166 HydrophobicContact CG-CG2 4.36Å; T166-S178 WeakPolarHBondContact O-CB 3.28Å; T166-H179 HydrophobicContact CG2-CB 4.49Å; T166-H179 PolarHBondContact N-O 3.25Å; T166-H179 VanDerWaalsContact N-O 3.14Å; T166-H179 PolarHBondContact OG1-N 3.42Å
167	Q	97.9	Very high	97.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	22%	0.215	C	C	.	.			trans	-94	107.7	170.8	-60.1	-174.7	34.5	0	0	111.3	I85 E113 L170 M204	I85-Q167 HydrophobicContact CD1-CG 3.91Å; I85-Q167 HydrophobicContact CG1-CG 4.02Å; I85-Q167 VanDerWaalsContact CG1-NE2 3.32Å; E113-Q167 VanDerWaalsContact OE1-CA 3.3Å; E113-Q167 WeakPolarHBondContact OE1-CA 3.46Å; Q167-L170 HydrophobicContact CB-CD1 3.9Å; Q167-L170 HydrophobicContact CB-CG 4.03Å; Q167-M204 PolarHBondContact NE2-SD 2.86Å
168	M	97.7	Very high	97.9	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	21%	0.214	C	C	.	.	S	Bend	trans	-80	-27.9	-177.2	-65.8	-61.4	-52.9	0	0	112.6	Y49 E113 L170 L171 L173 Q175	Y49-M168 HydrophobicContact CE1-CE 4.27Å; Y49-M168 HydrophobicContact CE1-SD 4.07Å; Y49-M168 PolarHBondContact OH-SD 3.34Å; E113-M168 PolarHBondContact OE2-N 3.43Å; M168-L170 PolarHBondContact O-N 2.83Å; M168-L171 HydrophobicContact CE-CD1 4.16Å; M168-L171 PolarHBondContact O-N 2.94Å; M168-L171 VanDerWaalsContact O-N 3.09Å; M168-L171 HydrophobicContact SD-CD1 4.14Å; M168-L173 HydrophobicContact CE-CB 4.22Å; M168-L173 HydrophobicContact CE-CD1 3.92Å; M168-Q175 WeakPolarHBondContact CB-O 3.42Å; M168-Q175 HydrophobicContact CE-CB 3.93Å; M168-Q175 HydrophobicContact CE-CG 4Å; M168-Q175 WeakPolarHBondContact CE-O 3.4Å
169	R	97.1	Very high	98	Very high	179 Å²	179	44.8 Å²	44.8	68%	0.675	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.1	178.4	64.7	178.1	178.3	176.7	-0.7	113.3	E113 L171	E113-R169 PolarHBondContact OE2-N 3.09Å; R169-L171 VanDerWaalsContact C-N 3.32Å
170	L	97.5	Very high	98	Very high	60 Å²	60	45 Å²	45	31%	0.314	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.8	-179.6	-58.4	-176.3	0	0	0	112.8	P82 Q167 M168 N328	P82-L170 HydrophobicContact CB-CB 4.32Å; P82-L170 HydrophobicContact CB-CD1 4.09Å; Q167-L170 HydrophobicContact CB-CD1 3.9Å; Q167-L170 HydrophobicContact CB-CG 4.03Å; M168-L170 PolarHBondContact O-N 2.83Å; L170-N328 WeakPolarHBondContact CB-OD1 3.43Å; L170-N328 PolarHBondContact O-ND2 2.51Å
171	L	98	Very high	97.9	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.063	20%	0.197	C	C	.	.	S	Bend	trans	-102.1	148.5	-175	-63.1	169.6	0	0	0	111	Y49 E80 P82 M168 R169 L173	Y49-L171 HydrophobicContact CD1-CD1 4.19Å; Y49-L171 HydrophobicContact CD2-CD1 3.37Å; Y49-L171 HydrophobicContact CD2-CD2 4.3Å; Y49-L171 HydrophobicContact CD2-CG 4.49Å; Y49-L171 HydrophobicContact CE1-CD1 4.16Å; Y49-L171 HydrophobicContact CE2-CD1 3.35Å; Y49-L171 HydrophobicContact CG-CD1 3.82Å; E80-L171 HydrophobicContact CB-CD2 4.45Å; E80-L171 VanDerWaalsContact CD-CD2 3.49Å; E80-L171 HydrophobicContact CG-CD2 3.85Å; E80-L171 WeakPolarHBondContact OE2-CD2 3.49Å; P82-L171 HydrophobicContact CG-CD1 4.22Å; P82-L171 HydrophobicContact CG-CD2 3.93Å; P82-L171 HydrophobicContact CG-CG 4.1Å; M168-L171 HydrophobicContact CE-CD1 4.16Å; M168-L171 PolarHBondContact O-N 2.94Å; M168-L171 VanDerWaalsContact O-N 3.09Å; M168-L171 HydrophobicContact SD-CD1 4.14Å; R169-L171 VanDerWaalsContact C-N 3.32Å; L171-L173 HydrophobicContact CB-CB 4.42Å; L171-L173 HydrophobicContact CB-CD1 4.23Å; L171-L173 HydrophobicContact CB-CG 3.97Å; L171-L173 HydrophobicContact CD1-CD1 4.11Å; L171-L173 PolarHBondContact O-N 3.23Å
172	P	97.3	Very high	97.9	Very high	55 Å²	55	46.5 Å²	46.5	36%	0.357	21%	0.205	S	C	.	.	S	Bend	trans	-76.9	39.9	176.9	36	-40.6	0	0	0	112.4	Y323 E325	P172-Y323 HydrophobicContact CG-CD1 4.23Å; P172-Y323 HydrophobicContact CG-CE1 3.89Å; P172-E325 WeakPolarHBondContact CG-O 3.48Å
173	L	97.7	Very high	97.9	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.136	21%	0.206	C	C	.	.			trans	-111.5	139.7	-174.3	-56.1	-176.4	0	0	0	110.9	Y49 M168 L171 Q175 Y323 K342	Y49-L173 HydrophobicContact CD1-CD1 3.89Å; Y49-L173 HydrophobicContact CE1-CD1 4.29Å; Y49-L173 HydrophobicContact CG-CD1 4.46Å; M168-L173 HydrophobicContact CE-CB 4.22Å; M168-L173 HydrophobicContact CE-CD1 3.92Å; L171-L173 HydrophobicContact CB-CB 4.42Å; L171-L173 HydrophobicContact CB-CD1 4.23Å; L171-L173 HydrophobicContact CB-CG 3.97Å; L171-L173 HydrophobicContact CD1-CD1 4.11Å; L171-L173 PolarHBondContact O-N 3.23Å; L173-Q175 PolarHBondContact O-N 3.31Å; L173-Q175 VanDerWaalsContact O-N 3.12Å; L173-Y323 HydrophobicContact CD2-CD2 4.42Å; L173-Y323 HydrophobicContact CD2-CE2 4.13Å; L173-K342 HydrophobicContact CD2-CB 3.79Å; L173-K342 HydrophobicContact CD2-CD 3.69Å; L173-K342 VanDerWaalsContact CD2-CE 3.45Å; L173-K342 HydrophobicContact CD2-CG 3.48Å; L173-K342 VanDerWaalsContact CD2-CG 3.48Å
174	R	97.6	Very high	97.9	Very high	251 Å²	251	46.8 Å²	46.8	95%	0.947	21%	0.206	S	C	*	.	S	Bend	trans	-57.7	-28.4	174.1	-177.4	179.9	173.8	-164.9	0.4	113.2	K176	R174-K176 PolarHBondContact O-N 2.99Å
175	Q	97.6	Very high	97.9	Very high	77 Å²	77	46.7 Å²	46.7	36%	0.36	21%	0.205	S	C	.	.			trans	-73.6	120.8	-175.8	175.6	177.1	-21.8	0	0	111	M168 L173 K177 H179	M168-Q175 WeakPolarHBondContact CB-O 3.42Å; M168-Q175 HydrophobicContact CE-CB 3.93Å; M168-Q175 HydrophobicContact CE-CG 4Å; M168-Q175 WeakPolarHBondContact CE-O 3.4Å; L173-Q175 PolarHBondContact O-N 3.31Å; L173-Q175 VanDerWaalsContact O-N 3.12Å; Q175-K177 HydrophobicContact CG-CB 4.15Å; Q175-K177 PolarHBondContact NE2-O 3.39Å; Q175-H179 PolarHBondContact NE2-CE1 3.15Å; Q175-H179 PolarHBondContact NE2-NE2 3.04Å
176	K	97.5	Very high	97.9	Very high	129 Å²	129	46.8 Å²	46.8	56%	0.561	21%	0.206	S	C	*	.			trans	-94.9	-1.6	174	-55.8	-173.4	179.1	-170.6	0	114.4	R116 R174	R116-K176 WeakPolarHBondContact CD-O 3.48Å; R174-K176 PolarHBondContact O-N 2.99Å
177	K	98	Very high	97.9	Very high	52 Å²	52	46.8 Å²	46.8	23%	0.226	21%	0.206	C	C	.	.	S	Bend	trans	-92	110.7	-173.4	-175.1	175.1	-175	157.6	0	110.1	R116 R117 Y119 Q175	R116-K177 HydrophobicContact CB-CB 4.38Å; R116-K177 HydrophobicContact CB-CG 4.2Å; R116-K177 WeakPolarHBondContact O-CE 3.3Å; R116-K177 PolarHBondContact O-NZ 2.84Å; R117-K177 PolarHBondContact NH2-O 3.09Å; R117-K177 VanDerWaalsContact O-CE 3.3Å; R117-K177 WeakPolarHBondContact O-CE 3.18Å; R117-K177 PolarHBondContact O-NZ 3.37Å; Y119-K177 PolarHBondContact O-NZ 3.33Å; Q175-K177 HydrophobicContact CG-CB 4.15Å; Q175-K177 PolarHBondContact NE2-O 3.39Å
178	S	97.8	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.8	150.2	-176.2	73.8	0	0	0	0	113	E113 C114 R117 T166	E113-S178 WeakPolarHBondContact O-CB 3.32Å; E113-S178 PolarHBondContact O-N 3.38Å; E113-S178 PolarHBondContact O-OG 3.44Å; E113-S178 VanDerWaalsContact O-OG 3.08Å; C114-S178 VanDerWaalsContact CA-OG 3.24Å; C114-S178 WeakPolarHBondContact CA-OG 3.47Å; R117-S178 PolarHBondContact NE-O 3.12Å; R117-S178 PolarHBondContact NH2-O 3.16Å; T166-S178 WeakPolarHBondContact O-CB 3.28Å
179	H	98.6	Very high	97.9	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.06	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-92.1	121.8	172.8	-67.9	98.4	0	0	0	109.8	L47 Y49 R117 H165 T166 Q175 V344	L47-H179 HydrophobicContact CD1-CB 3.97Å; Y49-H179 AromaticContact CE1-CE1 3.94Å; Y49-H179 AromaticContact CE1-ND1 3.73Å; Y49-H179 AromaticContact CZ-ND1 3.67Å; Y49-H179 PolarHBondContact OH-ND1 2.92Å; R117-H179 PolarHBondContact NH2-CD2 2.72Å; R117-H179 VanDerWaalsContact NH2-CD2 3.3Å; H165-H179 VanDerWaalsContact CA-O 3.26Å; H165-H179 WeakPolarHBondContact CA-O 3.44Å; T166-H179 HydrophobicContact CG2-CB 4.49Å; T166-H179 PolarHBondContact N-O 3.25Å; T166-H179 VanDerWaalsContact N-O 3.14Å; T166-H179 PolarHBondContact OG1-N 3.42Å; Q175-H179 PolarHBondContact NE2-CE1 3.15Å; Q175-H179 PolarHBondContact NE2-NE2 3.04Å; H179-V344 HydrophobicContact CB-CG2 4.39Å
180	L	97.6	Very high	97.9	Very high	28 Å²	28	43.7 Å²	43.7	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138.8	175.9	-86.5	156.7	0	0	0	111.3	R26 V87 R117 F118 I163 A164 H165	R26-L180 VanDerWaalsContact CZ-O 3.26Å; R26-L180 PolarHBondContact NE-O 3.01Å; R26-L180 PolarHBondContact NH2-O 3.29Å; V87-L180 HydrophobicContact CG2-CD2 4.04Å; R117-L180 HydrophobicContact CB-CD1 3.6Å; R117-L180 HydrophobicContact CG-CB 4.35Å; R117-L180 HydrophobicContact CG-CD1 3.43Å; R117-L180 VanDerWaalsContact CG-CD1 3.43Å; R117-L180 HydrophobicContact CG-CG 4.26Å; F118-L180 HydrophobicContact CE2-CD1 3.89Å; F118-L180 HydrophobicContact CZ-CD1 3.8Å; I163-L180 HydrophobicContact CG2-CD2 3.43Å; I163-L180 VanDerWaalsContact CG2-CD2 3.43Å; A164-L180 WeakPolarHBondContact O-CA 3.5Å; H165-L180 HydrophobicContact CB-CD2 3.77Å; H165-L180 HydrophobicContact CB-CG 3.93Å
181	M	97.6	Very high	97.9	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.9	165.8	89.2	176.7	-162.3	0	0	113.5	R26 A45 L47 M84 A164 V183 T346	R26-M181 VanDerWaalsContact CZ-CB 3.41Å; R26-M181 VanDerWaalsContact NH2-CB 3.35Å; A45-M181 VanDerWaalsContact C-CE 3.41Å; A45-M181 HydrophobicContact CB-CE 3.37Å; L47-M181 HydrophobicContact CD1-CB 4.12Å; L47-M181 HydrophobicContact CD1-CG 4.09Å; L47-M181 HydrophobicContact CD1-SD 4.03Å; L47-M181 HydrophobicContact CD2-CG 4.48Å; L47-M181 HydrophobicContact CD2-SD 3.38Å; L47-M181 WeakPolarHBondContact CD2-SD 3.24Å; L47-M181 HydrophobicContact CG-CE 4.37Å; L47-M181 HydrophobicContact CG-CG 4.1Å; L47-M181 HydrophobicContact CG-SD 3.45Å; L47-M181 WeakPolarHBondContact CG-SD 3.44Å; M84-M181 HydrophobicContact CE-CG 4.23Å; A164-M181 PolarHBondContact N-O 2.85Å; A164-M181 PolarHBondContact O-N 2.77Å; M181-V183 HydrophobicContact CE-CB 4.42Å; M181-V183 HydrophobicContact CE-CG1 4.48Å; M181-V183 HydrophobicContact CE-CG2 3.44Å; M181-V183 VanDerWaalsContact CE-CG2 3.44Å; M181-V183 HydrophobicContact CG-CG2 3.81Å; M181-V183 HydrophobicContact SD-CG2 4.46Å; M181-T346 HydrophobicContact CE-CG2 4.25Å; M181-T346 HydrophobicContact SD-CG2 3.97Å
182	E	98.3	Very high	98	Very high	66 Å²	66	45.7 Å²	45.7	31%	0.308	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.6	160	-68.1	165	-130.7	0	0	109.5	F32 I90 Y92 R161 V162	F32-E182 WeakPolarHBondContact CZ-O 3.45Å; I90-E182 HydrophobicContact CD1-CG 3.75Å; Y92-E182 PolarHBondContact OH-OE2 3.14Å; R161-E182 HydrophobicContact CB-CB 4.26Å; R161-E182 WeakPolarHBondContact CD-OE2 3.28Å; R161-E182 IonicContact NH1-OE2 2.77Å; R161-E182 PolarHBondContact NH1-OE2 3.49Å; V162-E182 CarbonylContact O-C 3.55Å; V162-E182 VanDerWaalsContact O-CA 3.23Å; V162-E182 WeakPolarHBondContact O-CA 3.46Å
183	V	98.4	Very high	98	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.2	171.4	-168	0	0	0	0	107.5	L43 A45 M84 R161 V162 A164 M181	L43-V183 HydrophobicContact CB-CG1 4.11Å; L43-V183 HydrophobicContact CD2-CB 3.89Å; L43-V183 HydrophobicContact CD2-CG1 3.6Å; L43-V183 HydrophobicContact CG-CG1 4.43Å; A45-V183 HydrophobicContact CB-CG1 4.12Å; A45-V183 VanDerWaalsContact O-CG1 3.26Å; A45-V183 WeakPolarHBondContact O-CG1 3.4Å; M84-V183 HydrophobicContact CE-CG2 4.47Å; R161-V183 CarbonylContact C-O 3.22Å; R161-V183 WeakPolarHBondContact CA-O 3.45Å; R161-V183 WeakPolarHBondContact CB-O 2.93Å; V162-V183 HydrophobicContact CG2-CB 3.87Å; V162-V183 HydrophobicContact CG2-CG2 4.4Å; V162-V183 PolarHBondContact N-O 3.2Å; V162-V183 PolarHBondContact O-N 3.16Å; A164-V183 HydrophobicContact CB-CG2 4.47Å; M181-V183 HydrophobicContact CE-CB 4.42Å; M181-V183 HydrophobicContact CE-CG1 4.48Å; M181-V183 HydrophobicContact CE-CG2 3.44Å; M181-V183 VanDerWaalsContact CE-CG2 3.44Å; M181-V183 HydrophobicContact CG-CG2 3.81Å; M181-V183 HydrophobicContact SD-CG2 4.46Å
184	Q	98.6	Very high	98	Very high	18 Å²	18	42 Å²	42	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134	176.9	-169	173	-61.7	0	0	110.3	F32 T44 V159 R161 N186	F32-Q184 HydrophobicContact CB-CB 3.9Å; F32-Q184 HydrophobicContact CB-CG 4.41Å; F32-Q184 HydrophobicContact CD1-CB 3.79Å; F32-Q184 HydrophobicContact CD2-CB 3.9Å; F32-Q184 HydrophobicContact CE1-CB 4.26Å; F32-Q184 HydrophobicContact CE2-CB 4.36Å; F32-Q184 HydrophobicContact CG-CB 3.59Å; T44-Q184 WeakPolarHBondContact CG2-O 3.23Å; T44-Q184 PolarHBondContact N-O 3.47Å; T44-Q184 PolarHBondContact OG1-O 2.96Å; V159-Q184 HydrophobicContact CG1-CG 3.87Å; R161-Q184 HydrophobicContact CG-CB 4.17Å; R161-Q184 HydrophobicContact CG-CG 4.3Å; Q184-N186 WeakPolarHBondContact CG-OD1 3.49Å; Q184-N186 PolarHBondContact NE2-OD1 2.83Å
185	L	98.4	Very high	98.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.2	167.7	-67.4	177	0	0	0	108.8	V41 L43 I160 V162 K193 W196 A197	V41-L185 HydrophobicContact CG1-CB 4.48Å; V41-L185 HydrophobicContact CG1-CD2 4.32Å; L43-L185 HydrophobicContact CD2-CD2 3.46Å; L43-L185 VanDerWaalsContact CD2-CD2 3.46Å; L43-L185 HydrophobicContact CG-CD2 4.02Å; I160-L185 HydrophobicContact CG2-CD1 4.17Å; I160-L185 PolarHBondContact O-N 2.87Å; I160-L185 VanDerWaalsContact O-N 3.09Å; V162-L185 HydrophobicContact CG1-CD1 3.81Å; V162-L185 HydrophobicContact CG1-CD2 4.43Å; V162-L185 HydrophobicContact CG1-CG 4.12Å; L185-K193 HydrophobicContact CB-CB 4.34Å; L185-K193 HydrophobicContact CB-CD 4.38Å; L185-K193 HydrophobicContact CB-CG 4.14Å; L185-K193 HydrophobicContact CD1-CB 4.27Å; L185-K193 VanDerWaalsContact CD1-O 3.32Å; L185-K193 WeakPolarHBondContact CD1-O 3.47Å; L185-W196 HydrophobicContact CD1-CE3 3.72Å; L185-W196 HydrophobicContact CD1-CZ3 4.23Å; L185-W196 HydrophobicContact CD2-CD2 4.37Å; L185-W196 HydrophobicContact CD2-CE3 3.57Å; L185-W196 HydrophobicContact CD2-CH2 4.14Å; L185-W196 HydrophobicContact CD2-CZ3 3.46Å; L185-W196 VanDerWaalsContact CD2-CZ3 3.46Å; L185-W196 HydrophobicContact CG-CE3 4.33Å; L185-W196 HydrophobicContact CG-CZ3 4.47Å; L185-A197 HydrophobicContact CD1-CB 3.8Å
186	N	98.3	Very high	98.1	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160.3	174.1	-76.3	16	0	0	0	109.5	P33 K34 D35 V41 H42 T44 Q184	P33-N186 PolarHBondContact O-ND2 2.99Å; K34-N186 PolarHBondContact O-ND2 3.38Å; K34-N186 VanDerWaalsContact O-ND2 3.15Å; D35-N186 WeakPolarHBondContact OD1-CA 3.47Å; D35-N186 WeakPolarHBondContact OD1-CB 2.99Å; V41-N186 CarbonylContact C-O 3.2Å; V41-N186 VanDerWaalsContact CA-O 3.32Å; V41-N186 WeakPolarHBondContact CA-O 3.01Å; H42-N186 PolarHBondContact N-O 3.09Å; H42-N186 PolarHBondContact ND1-O 3.41Å; H42-N186 PolarHBondContact O-N 2.86Å; T44-N186 HydrophobicContact CG2-CB 3.89Å; Q184-N186 WeakPolarHBondContact CG-OD1 3.49Å; Q184-N186 PolarHBondContact NE2-OD1 2.83Å
187	G	97.8	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	84.3	147.7	-177.6	0	0	0	0	0	113.2	D35 D36 K39 V41 K193	D35-G187 PolarHBondContact OD1-N 2.91Å; D36-G187 WeakPolarHBondContact O-CA 3.43Å; K39-G187 CarbonylContact O-C 3.6Å; K39-G187 WeakPolarHBondContact O-CA 3.36Å; V41-G187 WeakPolarHBondContact CG2-O 3.3Å; G187-K193 WeakPolarHBondContact O-CE 3.42Å; G187-K193 WeakPolarHBondContact O-CG 3.49Å
188	G	97.6	Very high	98.1	Very high	9 Å²	9	27.9 Å²	27.9	9%	0.093	14%	0.142	C	C	.	.	S	Bend	trans	69.9	176.7	-176	0	0	0	0	0	113.9	P37 K39 K193	P37-G188 WeakPolarHBondContact O-CA 3.22Å; P37-G188 PolarHBondContact O-N 3.48Å; P37-G188 VanDerWaalsContact O-N 3.09Å; K39-G188 PolarHBondContact O-N 2.68Å; G188-K193 VanDerWaalsContact O-CE 3.31Å; G188-K193 WeakPolarHBondContact O-CE 3.08Å; G188-K193 PolarHBondContact O-NZ 3.13Å
189	T	98.2	Very high	98.1	Very high	74 Å²	74	33.1 Å²	33.1	45%	0.454	17%	0.167	S	C	.	.			trans	-72.1	170	173.8	72.8	0	0	0	0	111.1	S191 D192 K193	T189-S191 VanDerWaalsContact C-N 3.25Å; T189-S191 PolarHBondContact O-N 2.81Å; T189-S191 PolarHBondContact OG1-N 2.81Å; T189-D192 WeakPolarHBondContact CB-OD2 3.45Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.47Å; T189-D192 PolarHBondContact N-OD2 3.34Å; T189-D192 PolarHBondContact O-N 2.86Å; T189-D192 PolarHBondContact OG1-N 2.98Å; T189-D192 PolarHBondContact OG1-OD1 2.81Å; T189-D192 PolarHBondContact OG1-OD2 2.88Å; T189-K193 WeakPolarHBondContact O-CG 3.31Å; T189-K193 PolarHBondContact O-N 2.87Å; T189-K193 VanDerWaalsContact O-N 3.12Å
190	I	98.2	Very high	98	Very high	36 Å²	36	34.8 Å²	34.8	19%	0.185	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-35.3	174.8	-60.3	-60.6	0	0	0	111.2	C157 Q158 I160 K193 V194	C157-I190 WeakPolarHBondContact O-CG2 3.43Å; Q158-I190 VanDerWaalsContact O-CD1 3.28Å; Q158-I190 WeakPolarHBondContact O-CD1 3.49Å; I160-I190 HydrophobicContact CD1-CG2 4.13Å; I160-I190 HydrophobicContact CG1-CG2 4.01Å; I190-K193 HydrophobicContact CD1-CD 4.37Å; I190-K193 PolarHBondContact O-N 2.79Å; I190-V194 HydrophobicContact CG2-CG2 4.47Å; I190-V194 WeakPolarHBondContact O-CG2 3.47Å; I190-V194 PolarHBondContact O-N 2.88Å
191	S	97.9	Very high	98	Very high	41 Å²	41	34.4 Å²	34.4	29%	0.287	17%	0.172	S	C	.	.	H	α-helix	trans	-61.4	-51.1	175.8	-170.8	0	0	0	0	110.7	K154 T189 K193 V194 D195	K154-S191 WeakPolarHBondContact CD-OG 3.38Å; K154-S191 WeakPolarHBondContact CE-OG 3.21Å; K154-S191 PolarHBondContact NZ-OG 3.38Å; K154-S191 VanDerWaalsContact NZ-OG 3.13Å; T189-S191 VanDerWaalsContact C-N 3.25Å; T189-S191 PolarHBondContact O-N 2.81Å; T189-S191 PolarHBondContact OG1-N 2.81Å; S191-K193 PolarHBondContact O-N 2.81Å; S191-V194 PolarHBondContact O-N 2.87Å; S191-D195 PolarHBondContact O-N 3.15Å; S191-D195 VanDerWaalsContact O-OD2 3.13Å; S191-D195 PolarHBondContact OG-OD2 2.97Å
192	D	98.1	Very high	97.9	Very high	72 Å²	72	37.7 Å²	37.7	39%	0.385	19%	0.187	S	C	.	.	H	α-helix	trans	-57.7	-39.7	-178.9	-49.4	-30.6	0	0	0	111.3	V41 T189 D195 W196	V41-D192 HydrophobicContact CG2-CB 3.91Å; T189-D192 WeakPolarHBondContact CB-OD2 3.45Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.47Å; T189-D192 PolarHBondContact N-OD2 3.34Å; T189-D192 PolarHBondContact O-N 2.86Å; T189-D192 PolarHBondContact OG1-N 2.98Å; T189-D192 PolarHBondContact OG1-OD1 2.81Å; T189-D192 PolarHBondContact OG1-OD2 2.88Å; D192-D195 PolarHBondContact O-N 3.18Å; D192-W196 WeakPolarHBondContact O-CB 3.32Å; D192-W196 PolarHBondContact O-N 2.88Å
193	K	98.6	Very high	97.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175.9	-69.2	168.9	-168.4	161.9	0	112.7	D35 V41 I160 L185 G187 G188 T189 I190 S191 A197	D35-K193 IonicContact OD1-NZ 2.94Å; D35-K193 PolarHBondContact OD1-NZ 2.89Å; D35-K193 VanDerWaalsContact OD1-NZ 3.17Å; D35-K193 IonicContact OD2-NZ 3.39Å; D35-K193 PolarHBondContact OD2-NZ 3.25Å; V41-K193 HydrophobicContact CG1-CG 4.17Å; V41-K193 HydrophobicContact CG2-CG 4.26Å; I160-K193 HydrophobicContact CB-CB 4.13Å; I160-K193 HydrophobicContact CG1-CB 4.17Å; I160-K193 HydrophobicContact CG2-CB 4.45Å; L185-K193 HydrophobicContact CB-CB 4.34Å; L185-K193 HydrophobicContact CB-CD 4.38Å; L185-K193 HydrophobicContact CB-CG 4.14Å; L185-K193 HydrophobicContact CD1-CB 4.27Å; L185-K193 VanDerWaalsContact CD1-O 3.32Å; L185-K193 WeakPolarHBondContact CD1-O 3.47Å; G187-K193 WeakPolarHBondContact O-CE 3.42Å; G187-K193 WeakPolarHBondContact O-CG 3.49Å; G188-K193 VanDerWaalsContact O-CE 3.31Å; G188-K193 WeakPolarHBondContact O-CE 3.08Å; G188-K193 PolarHBondContact O-NZ 3.13Å; T189-K193 WeakPolarHBondContact O-CG 3.31Å; T189-K193 PolarHBondContact O-N 2.87Å; T189-K193 VanDerWaalsContact O-N 3.12Å; I190-K193 HydrophobicContact CD1-CD 4.37Å; I190-K193 PolarHBondContact O-N 2.79Å; S191-K193 PolarHBondContact O-N 2.81Å; K193-A197 WeakPolarHBondContact O-CB 3.34Å; K193-A197 PolarHBondContact O-N 2.88Å
194	V	98.4	Very high	97.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-42.4	177.5	172.7	0	0	0	0	110.3	F150 M153 K154 I160 I190 S191 A197 R198	F150-V194 HydrophobicContact CB-CG1 4.48Å; F150-V194 HydrophobicContact CD1-CG1 3.72Å; F150-V194 HydrophobicContact CE1-CG1 4.48Å; M153-V194 HydrophobicContact CB-CG2 4.14Å; K154-V194 HydrophobicContact CG-CB 3.84Å; K154-V194 HydrophobicContact CG-CG1 3.91Å; K154-V194 HydrophobicContact CG-CG2 3.96Å; I160-V194 HydrophobicContact CD1-CG2 3.67Å; I160-V194 HydrophobicContact CG1-CG2 3.86Å; I190-V194 HydrophobicContact CG2-CG2 4.47Å; I190-V194 WeakPolarHBondContact O-CG2 3.47Å; I190-V194 PolarHBondContact O-N 2.88Å; S191-V194 PolarHBondContact O-N 2.87Å; V194-A197 PolarHBondContact O-N 3.16Å; V194-R198 WeakPolarHBondContact O-CB 3.45Å; V194-R198 PolarHBondContact O-N 2.78Å
195	D	98.2	Very high	97.7	Very high	65 Å²	65	43.1 Å²	43.1	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-65.5	-47	178.9	-67.6	-35.5	0	0	0	111.3	K154 S191 D192 A197 R198 E199	K154-D195 WeakPolarHBondContact CE-OD1 3.44Å; K154-D195 IonicContact NZ-OD1 3.17Å; K154-D195 PolarHBondContact NZ-OD1 3.02Å; K154-D195 IonicContact NZ-OD2 2.54Å; K154-D195 PolarHBondContact NZ-OD2 2.9Å; S191-D195 PolarHBondContact O-N 3.15Å; S191-D195 VanDerWaalsContact O-OD2 3.13Å; S191-D195 PolarHBondContact OG-OD2 2.97Å; D192-D195 PolarHBondContact O-N 3.18Å; D195-A197 VanDerWaalsContact C-N 3.3Å; D195-A197 PolarHBondContact O-N 3.41Å; D195-R198 WeakPolarHBondContact O-CB 3.26Å; D195-R198 PolarHBondContact O-N 3.02Å; D195-E199 PolarHBondContact O-N 3.25Å
196	W	98.3	Very high	97.7	Very high	55 Å²	55	44.2 Å²	44.2	21%	0.208	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-44.4	172.2	-172	97.8	0	0	0	111.7	V41 L43 V162 L185 D192 R198 E199 K200	V41-W196 HydrophobicContact CB-CB 4.4Å; V41-W196 HydrophobicContact CB-CG 4.17Å; V41-W196 HydrophobicContact CG1-CB 3.83Å; V41-W196 HydrophobicContact CG1-CD2 3.94Å; V41-W196 HydrophobicContact CG1-CG 3.6Å; L43-W196 HydrophobicContact CD1-CH2 3.84Å; L43-W196 HydrophobicContact CD2-CH2 4.22Å; L43-W196 HydrophobicContact CD2-CZ3 4.26Å; L43-W196 HydrophobicContact CG-CH2 3.8Å; L43-W196 HydrophobicContact CG-CZ3 4.33Å; V162-W196 HydrophobicContact CG1-CZ3 4.37Å; L185-W196 HydrophobicContact CD1-CE3 3.72Å; L185-W196 HydrophobicContact CD1-CZ3 4.23Å; L185-W196 HydrophobicContact CD2-CD2 4.37Å; L185-W196 HydrophobicContact CD2-CE3 3.57Å; L185-W196 HydrophobicContact CD2-CH2 4.14Å; L185-W196 HydrophobicContact CD2-CZ3 3.46Å; L185-W196 VanDerWaalsContact CD2-CZ3 3.46Å; L185-W196 HydrophobicContact CG-CE3 4.33Å; L185-W196 HydrophobicContact CG-CZ3 4.47Å; D192-W196 WeakPolarHBondContact O-CB 3.32Å; D192-W196 PolarHBondContact O-N 2.88Å; W196-R198 VanDerWaalsContact C-N 3.32Å; W196-R198 PolarHBondContact O-N 3.29Å; W196-E199 PolarHBondContact O-N 2.72Å; W196-K200 HydrophobicContact CD2-CG 4Å; W196-K200 HydrophobicContact CE3-CB 4.32Å; W196-K200 HydrophobicContact CE3-CG 3.95Å; W196-K200 HydrophobicContact CH2-CB 4.22Å; W196-K200 HydrophobicContact CH2-CG 3.63Å; W196-K200 HydrophobicContact CZ2-CG 3.7Å; W196-K200 HydrophobicContact CZ3-CB 3.99Å; W196-K200 HydrophobicContact CZ3-CG 3.74Å; W196-K200 WeakPolarHBondContact O-CG 3.4Å; W196-K200 PolarHBondContact O-N 3.17Å
197	A	97.9	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-37.8	179.9	0	0	0	0	0	112.2	V89 V162 L185 K193 V194 D195 L201	V89-A197 HydrophobicContact CB-CB 4.4Å; V89-A197 HydrophobicContact CG1-CB 3.89Å; V89-A197 HydrophobicContact CG2-CB 3.56Å; V162-A197 HydrophobicContact CG1-CB 3.74Å; L185-A197 HydrophobicContact CD1-CB 3.8Å; K193-A197 WeakPolarHBondContact O-CB 3.34Å; K193-A197 PolarHBondContact O-N 2.88Å; V194-A197 PolarHBondContact O-N 3.16Å; D195-A197 VanDerWaalsContact C-N 3.3Å; D195-A197 PolarHBondContact O-N 3.41Å; A197-L201 WeakPolarHBondContact O-CG 3.35Å; A197-L201 PolarHBondContact O-N 3.41Å
198	R	97.2	Very high	97.7	Very high	93 Å²	93	47.3 Å²	47.3	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-67.4	-46.3	176.5	-179.3	-179.5	176.4	155.5	6	111.2	E147 F150 V194 D195 W196 K200 L201	E147-R198 VanDerWaalsContact CD-NH1 3.26Å; E147-R198 IonicContact OE1-CZ 3.76Å; E147-R198 IonicContact OE1-NH1 2.77Å; E147-R198 PolarHBondContact OE1-NH1 3.14Å; E147-R198 IonicContact OE1-NH2 3.87Å; E147-R198 PolarHBondContact OE1-NH2 3.18Å; E147-R198 IonicContact OE2-CZ 2.67Å; E147-R198 IonicContact OE2-NH1 2.81Å; E147-R198 PolarHBondContact OE2-NH1 3.38Å; E147-R198 IonicContact OE2-NH2 2.99Å; F150-R198 HydrophobicContact CE1-CB 4.23Å; F150-R198 HydrophobicContact CE1-CG 4.44Å; F150-R198 HydrophobicContact CE2-CG 4.5Å; F150-R198 HydrophobicContact CZ-CB 4.36Å; F150-R198 HydrophobicContact CZ-CG 4.12Å; V194-R198 WeakPolarHBondContact O-CB 3.45Å; V194-R198 PolarHBondContact O-N 2.78Å; D195-R198 WeakPolarHBondContact O-CB 3.26Å; D195-R198 PolarHBondContact O-N 3.02Å; W196-R198 VanDerWaalsContact C-N 3.32Å; W196-R198 PolarHBondContact O-N 3.29Å; R198-K200 VanDerWaalsContact C-N 3.28Å; R198-K200 PolarHBondContact O-N 3.42Å; R198-L201 WeakPolarHBondContact O-CB 3.41Å; R198-L201 PolarHBondContact O-N 3.29Å; R198-L201 VanDerWaalsContact O-N 3.16Å
199	E	97.6	Very high	97.7	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-41.7	176.1	-170.2	-153.4	129.9	0	0	111.2	D195 W196 L201 Q203	D195-E199 PolarHBondContact O-N 3.25Å; W196-E199 PolarHBondContact O-N 2.72Å; E199-L201 VanDerWaalsContact C-N 3.29Å; E199-L201 PolarHBondContact O-N 3.29Å; E199-Q203 VanDerWaalsContact O-CD 3.26Å; E199-Q203 PolarHBondContact O-NE2 2.87Å
200	K	97.4	Very high	97.7	Very high	48 Å²	48	48.4 Å²	48.4	21%	0.209	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.5	179.5	-63.9	-42.8	-176.1	-157.3	0	114.8	V86 W196 R198 E202 Q203	V86-K200 VanDerWaalsContact CB-O 3.3Å; V86-K200 WeakPolarHBondContact CB-O 3.43Å; W196-K200 HydrophobicContact CD2-CG 4Å; W196-K200 HydrophobicContact CE3-CB 4.32Å; W196-K200 HydrophobicContact CE3-CG 3.95Å; W196-K200 HydrophobicContact CH2-CB 4.22Å; W196-K200 HydrophobicContact CH2-CG 3.63Å; W196-K200 HydrophobicContact CZ2-CG 3.7Å; W196-K200 HydrophobicContact CZ3-CB 3.99Å; W196-K200 HydrophobicContact CZ3-CG 3.74Å; W196-K200 WeakPolarHBondContact O-CG 3.4Å; W196-K200 PolarHBondContact O-N 3.17Å; R198-K200 VanDerWaalsContact C-N 3.28Å; R198-K200 PolarHBondContact O-N 3.42Å; K200-E202 PolarHBondContact O-N 3.1Å; K200-Q203 WeakPolarHBondContact O-CB 3.2Å; K200-Q203 PolarHBondContact O-N 3.05Å; K200-Q203 VanDerWaalsContact O-N 3.15Å
201	L	96.3	Very high	97.7	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.105	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	135	174.1	-74.1	173.2	0	0	0	110.3	V86 V89 A107 W137 F150 A197 R198 E199 Q203	V86-L201 HydrophobicContact CG1-CD2 4.38Å; V89-L201 HydrophobicContact CG2-CD2 4.13Å; A107-L201 HydrophobicContact CB-CB 4.49Å; A107-L201 HydrophobicContact CB-CD2 4.17Å; W137-L201 HydrophobicContact CH2-CD1 4.1Å; W137-L201 HydrophobicContact CZ2-CD1 4.27Å; F150-L201 HydrophobicContact CZ-CD1 4.17Å; A197-L201 WeakPolarHBondContact O-CG 3.35Å; A197-L201 PolarHBondContact O-N 3.41Å; R198-L201 WeakPolarHBondContact O-CB 3.41Å; R198-L201 PolarHBondContact O-N 3.29Å; R198-L201 VanDerWaalsContact O-N 3.16Å; E199-L201 VanDerWaalsContact C-N 3.29Å; E199-L201 PolarHBondContact O-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.64Å
202	E	95.3	Very high	97.7	Very high	74 Å²	74	49 Å²	49	35%	0.346	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-5.1	-178.2	-50.9	-175.9	-177	0	0	115.3	V86 A107 E108 H109 K200	V86-E202 WeakPolarHBondContact O-CA 3.21Å; V86-E202 PolarHBondContact O-N 3Å; A107-E202 HydrophobicContact CB-CG 3.52Å; A107-E202 WeakPolarHBondContact CB-OE1 3.41Å; E108-E202 WeakPolarHBondContact CA-OE1 3.32Å; E108-E202 WeakPolarHBondContact CB-OE1 3.4Å; E108-E202 PolarHBondContact N-OE1 2.63Å; H109-E202 IonicContact CD2-OE2 2.56Å; H109-E202 PolarHBondContact CD2-OE2 3.25Å; H109-E202 VanDerWaalsContact CD2-OE2 3.29Å; H109-E202 IonicContact CG-OE2 3.93Å; H109-E202 PolarHBondContact N-OE1 2.74Å; K200-E202 PolarHBondContact O-N 3.1Å
203	Q	97.4	Very high	97.6	Very high	79 Å²	79	49 Å²	49	37%	0.369	25%	0.252	S	S	.	.			trans	-85.1	156.6	178.8	-60.2	-171.9	5.8	0	0	112.3	I85 V86 E199 K200 L201	I85-Q203 WeakPolarHBondContact CA-O 3.24Å; V86-Q203 PolarHBondContact N-O 3.14Å; V86-Q203 VanDerWaalsContact N-O 3.13Å; E199-Q203 VanDerWaalsContact O-CD 3.26Å; E199-Q203 PolarHBondContact O-NE2 2.87Å; K200-Q203 WeakPolarHBondContact O-CB 3.2Å; K200-Q203 PolarHBondContact O-N 3.05Å; K200-Q203 VanDerWaalsContact O-N 3.15Å; L201-Q203 PolarHBondContact O-N 2.64Å
204	M	97.4	Very high	97.6	Very high	110 Å²	110	50.5 Å²	50.5	54%	0.542	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.2	173.8	-59.6	-168.5	-166.9	0	0	110.7	P83 M84 I85 Q167	P83-M204 HydrophobicContact CB-CB 4.06Å; P83-M204 HydrophobicContact CB-SD 4.35Å; M84-M204 CarbonylContact O-C 3.55Å; M84-M204 WeakPolarHBondContact O-CA 3.47Å; I85-M204 HydrophobicContact CG1-CG 4.24Å; Q167-M204 PolarHBondContact NE2-SD 2.86Å
205	V	97.7	Very high	97.5	Very high	10 Å²	10	52.2 Å²	52.2	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.7	173	179.3	0	0	0	0	107.9	L43 F46 P83 M84 V86 T209 V210	L43-V205 HydrophobicContact CD1-CB 4.33Å; L43-V205 HydrophobicContact CD1-CG1 3.47Å; L43-V205 VanDerWaalsContact CD1-CG1 3.47Å; L43-V205 HydrophobicContact CD1-CG2 4.17Å; F46-V205 HydrophobicContact CE2-CG1 4.46Å; F46-V205 WeakPolarHBondContact CE2-O 3.31Å; P83-V205 WeakPolarHBondContact CA-O 3.13Å; M84-V205 PolarHBondContact N-O 3.3Å; M84-V205 PolarHBondContact O-N 3.12Å; V86-V205 HydrophobicContact CG2-CG2 3.77Å; V205-T209 WeakPolarHBondContact CG1-OG1 3.38Å; V205-V210 HydrophobicContact CG1-CG2 3.79Å
206	A	98.1	Very high	97.6	Very high	25 Å²	25	50 Å²	50	21%	0.207	26%	0.256	C	S	.	.			trans	-76.5	158.6	173.8	0	0	0	0	0	111.5	S208 T209	A206-S208 VanDerWaalsContact C-N 3.28Å; A206-S208 PolarHBondContact O-N 2.91Å; A206-T209 PolarHBondContact O-N 3.48Å; A206-T209 PolarHBondContact O-OG1 3.05Å
207	V	98.4	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.6	-30.4	179.5	68.6	0	0	0	0	112.5	F46 T81 T209 V210 F211 I287 D329 V331	F46-V207 HydrophobicContact CD1-CB 4.23Å; F46-V207 HydrophobicContact CD1-CG2 4.02Å; F46-V207 HydrophobicContact CE1-CB 4.01Å; F46-V207 HydrophobicContact CE1-CG2 4.3Å; F46-V207 HydrophobicContact CE2-CB 4.45Å; F46-V207 HydrophobicContact CG-CG2 4.25Å; F46-V207 HydrophobicContact CZ-CB 4.11Å; T81-V207 HydrophobicContact CG2-CG2 4.21Å; T81-V207 WeakPolarHBondContact OG1-CG1 3.45Å; V207-T209 VanDerWaalsContact C-N 3.25Å; V207-T209 PolarHBondContact O-N 2.87Å; V207-V210 PolarHBondContact O-N 2.94Å; V207-F211 HydrophobicContact CG2-CD2 3.85Å; V207-F211 PolarHBondContact O-N 3.39Å; V207-I287 HydrophobicContact CG1-CG2 3.84Å; V207-D329 HydrophobicContact CG1-CB 4.13Å; V207-V331 HydrophobicContact CG1-CG2 4.34Å; V207-V331 HydrophobicContact CG2-CG2 3.62Å
208	S	97.6	Very high	97.6	Very high	69 Å²	69	47.5 Å²	47.5	48%	0.483	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-66.3	-23.2	179.8	51.7	0	0	0	0	113.6	A206 V210	A206-S208 VanDerWaalsContact C-N 3.28Å; A206-S208 PolarHBondContact O-N 2.91Å; S208-V210 VanDerWaalsContact C-N 3.33Å
209	T	97.1	Very high	97.7	Very high	101 Å²	101	43.1 Å²	43.1	62%	0.62	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-83.4	-13.4	174.3	67.2	0	0	0	0	112.4	V205 A206 V207	V205-T209 WeakPolarHBondContact CG1-OG1 3.38Å; A206-T209 PolarHBondContact O-N 3.48Å; A206-T209 PolarHBondContact O-OG1 3.05Å; V207-T209 VanDerWaalsContact C-N 3.25Å; V207-T209 PolarHBondContact O-N 2.87Å
210	V	98.1	Very high	97.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-43.6	-178.6	-176.9	0	0	0	0	111.6	L43 F46 V205 V207 S208 K349	L43-V210 HydrophobicContact CB-CG1 4.04Å; L43-V210 HydrophobicContact CB-CG2 3.93Å; L43-V210 HydrophobicContact CD1-CG2 3.87Å; F46-V210 HydrophobicContact CD2-CB 4.44Å; F46-V210 HydrophobicContact CD2-CG2 3.94Å; F46-V210 HydrophobicContact CE2-CG2 4.43Å; V205-V210 HydrophobicContact CG1-CG2 3.79Å; V207-V210 PolarHBondContact O-N 2.94Å; S208-V210 VanDerWaalsContact C-N 3.33Å; V210-K349 WeakPolarHBondContact O-CE 3.43Å; V210-K349 PolarHBondContact O-NZ 3.29Å
211	F	98.4	Very high	97.8	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.195	C	C	.	.			trans	-118.3	148.7	-179.1	-63.1	-65.9	0	0	0	110.8	F46 V207 E215 I217 I284 I287 L347 K349	F46-F211 HydrophobicContact CB-CD2 4.39Å; F46-F211 HydrophobicContact CB-CE2 3.58Å; F46-F211 HydrophobicContact CB-CZ 4.39Å; V207-F211 HydrophobicContact CG2-CD2 3.85Å; V207-F211 PolarHBondContact O-N 3.39Å; F211-E215 WeakPolarHBondContact CA-OE2 2.94Å; F211-I217 HydrophobicContact CD1-CG2 3.47Å; F211-I217 VanDerWaalsContact CD1-CG2 3.47Å; F211-I217 HydrophobicContact CE1-CB 4.4Å; F211-I217 HydrophobicContact CE1-CG2 3.58Å; F211-I217 HydrophobicContact CG-CG2 4.25Å; F211-I217 HydrophobicContact CZ-CG2 4.44Å; F211-I284 HydrophobicContact CB-CD1 3.71Å; F211-I284 HydrophobicContact CG-CD1 4.14Å; F211-I287 HydrophobicContact CB-CD1 4.15Å; F211-I287 WeakPolarHBondContact O-CD1 3.4Å; F211-L347 HydrophobicContact CE2-CB 3.65Å; F211-L347 HydrophobicContact CE2-CD1 4.33Å; F211-L347 HydrophobicContact CZ-CB 3.75Å; F211-K349 HydrophobicContact CD1-CG 4.07Å; F211-K349 HydrophobicContact CE1-CB 4.48Å; F211-K349 HydrophobicContact CE1-CG 3.67Å
212	T	97.5	Very high	97.9	Very high	88 Å²	88	34.6 Å²	34.6	54%	0.54	19%	0.19	S	C	.	.			trans	-105.2	160.3	174.8	62.5	0	0	0	0	111	E215	T212-E215 PolarHBondContact N-OE2 2.71Å; T212-E215 VanDerWaalsContact N-OE2 3.09Å; T212-E215 WeakPolarHBondContact O-CB 3.46Å; T212-E215 PolarHBondContact O-N 2.7Å
213	Q	97.4	Very high	98.1	Very high	73 Å²	73	32.4 Å²	32.4	34%	0.341	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	146.8	169.1	-175.9	57.4	35	0	0	110.3	E215 Y285 I287	Q213-E215 PolarHBondContact O-N 3.06Å; Q213-Y285 PolarHBondContact NE2-O 3.3Å; Q213-I287 VanDerWaalsContact OE1-N 3.13Å
214	D	97.5	Very high	98.1	Very high	33 Å²	33	34.4 Å²	34.4	18%	0.176	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	0	179.5	-52.6	-30.8	0	0	0	116.6	K283 I284 K362 I363	D214-K283 PolarHBondContact O-NZ 3.34Å; D214-I284 WeakPolarHBondContact CA-O 3.49Å; D214-I284 PolarHBondContact N-O 3.3Å; D214-K362 WeakPolarHBondContact OD2-CA 3.44Å; D214-I363 VanDerWaalsContact CG-N 3.35Å; D214-I363 WeakPolarHBondContact OD1-CB 3.46Å; D214-I363 WeakPolarHBondContact OD1-CG1 3.35Å; D214-I363 PolarHBondContact OD1-N 2.91Å; D214-I363 VanDerWaalsContact OD1-N 3.1Å; D214-I363 PolarHBondContact OD2-N 3.46Å
215	E	97.6	Very high	98.2	Very high	37 Å²	37	30.9 Å²	30.9	17%	0.173	18%	0.182	C	C	.	.			trans	-66.8	144	177.5	-170.8	-178.9	174.2	0	0	111.7	F211 T212 Q213 I217 I284 K349	F211-E215 WeakPolarHBondContact CA-OE2 2.94Å; T212-E215 PolarHBondContact N-OE2 2.71Å; T212-E215 VanDerWaalsContact N-OE2 3.09Å; T212-E215 WeakPolarHBondContact O-CB 3.46Å; T212-E215 PolarHBondContact O-N 2.7Å; Q213-E215 PolarHBondContact O-N 3.06Å; E215-I217 HydrophobicContact CG-CG2 4.33Å; E215-I284 PolarHBondContact O-N 3Å; E215-K349 VanDerWaalsContact CD-NZ 3.31Å; E215-K349 WeakPolarHBondContact OE1-CG 3.14Å; E215-K349 IonicContact OE1-NZ 3.18Å; E215-K349 PolarHBondContact OE1-NZ 3.3Å; E215-K349 IonicContact OE2-NZ 2.76Å; E215-K349 PolarHBondContact OE2-NZ 2.79Å
216	M	98.4	Very high	98.2	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.094	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120	167.1	-74.9	-71.1	-175.3	0	0	110.3	N281 K283 Q354 A359	M216-N281 HydrophobicContact SD-CB 4.2Å; M216-K283 HydrophobicContact CE-CB 3.77Å; M216-K283 HydrophobicContact CE-CD 4Å; M216-K283 HydrophobicContact CE-CG 4.05Å; M216-K283 HydrophobicContact SD-CB 3.64Å; M216-K283 HydrophobicContact SD-CG 4.14Å; M216-K283 PolarHBondContact SD-N 3.29Å; M216-Q354 HydrophobicContact CB-CG 4.01Å; M216-Q354 HydrophobicContact CG-CG 4.44Å; M216-A359 HydrophobicContact CE-CB 4.08Å; M216-A359 HydrophobicContact CG-CB 3.95Å
217	I	98.6	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	165	177.5	63.2	163.5	0	0	0	111.9	F211 E215 V219 N281 K282 I284 V333 L347	F211-I217 HydrophobicContact CD1-CG2 3.47Å; F211-I217 VanDerWaalsContact CD1-CG2 3.47Å; F211-I217 HydrophobicContact CE1-CB 4.4Å; F211-I217 HydrophobicContact CE1-CG2 3.58Å; F211-I217 HydrophobicContact CG-CG2 4.25Å; F211-I217 HydrophobicContact CZ-CG2 4.44Å; E215-I217 HydrophobicContact CG-CG2 4.33Å; I217-V219 HydrophobicContact CD1-CG2 4.36Å; I217-N281 PolarHBondContact O-N 3.04Å; I217-K282 HydrophobicContact CG1-CB 4.37Å; I217-K282 VanDerWaalsContact CG1-O 3.23Å; I217-K282 WeakPolarHBondContact CG1-O 3.29Å; I217-K282 PolarHBondContact N-O 3.08Å; I217-K282 WeakPolarHBondContact O-CB 3.09Å; I217-K282 PolarHBondContact O-N 3.36Å; I217-I284 HydrophobicContact CD1-CD1 4.12Å; I217-I284 HydrophobicContact CD1-CG1 4.01Å; I217-I284 HydrophobicContact CG1-CD1 4.35Å; I217-I284 HydrophobicContact CG1-CG1 4.05Å; I217-I284 HydrophobicContact CG2-CD1 3.72Å; I217-I284 HydrophobicContact CG2-CG1 4.19Å; I217-V333 HydrophobicContact CD1-CG2 4.39Å; I217-L347 HydrophobicContact CD1-CB 4.2Å; I217-L347 HydrophobicContact CD1-CD1 4.34Å; I217-L347 HydrophobicContact CD1-CD2 4.02Å; I217-L347 HydrophobicContact CD1-CG 4.4Å
218	D	98.8	Very high	98.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.5	172	-57.6	-26.2	0	0	0	109.8	T278 E279 I280 N281 R348	D218-T278 HydrophobicContact CB-CG2 4.35Å; D218-E279 CarbonylContact C-O 3.59Å; D218-E279 WeakPolarHBondContact CA-O 3.16Å; D218-I280 HydrophobicContact CB-CG2 4.43Å; D218-I280 WeakPolarHBondContact OD1-CA 3.41Å; D218-I280 VanDerWaalsContact OD1-CB 3.27Å; D218-I280 WeakPolarHBondContact OD1-CB 3.32Å; D218-I280 WeakPolarHBondContact OD1-CG2 3.24Å; D218-N281 PolarHBondContact OD1-N 3.19Å; D218-R348 HydrophobicContact CB-CB 4.47Å; D218-R348 PolarHBondContact N-O 3.23Å; D218-R348 PolarHBondContact O-N 2.81Å; D218-R348 IonicContact OD2-CZ 3.81Å; D218-R348 IonicContact OD2-NE 2.92Å; D218-R348 PolarHBondContact OD2-NE 3.41Å; D218-R348 IonicContact OD2-NH2 3.39Å; D218-R348 PolarHBondContact OD2-NH2 2.76Å
219	V	98.8	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.2	178.4	-176.6	0	0	0	0	109.6	I217 E279 K282 V337 L345 L347	I217-V219 HydrophobicContact CD1-CG2 4.36Å; V219-E279 PolarHBondContact N-O 3.39Å; V219-E279 PolarHBondContact O-N 3.46Å; V219-K282 HydrophobicContact CG2-CB 4.1Å; V219-K282 HydrophobicContact CG2-CG 3.97Å; V219-V337 HydrophobicContact CB-CG1 4.42Å; V219-V337 HydrophobicContact CG1-CB 4.08Å; V219-V337 HydrophobicContact CG1-CG1 4.24Å; V219-V337 HydrophobicContact CG2-CG1 4.13Å; V219-L345 HydrophobicContact CG1-CB 4.26Å; V219-L345 HydrophobicContact CG1-CD1 3.93Å; V219-L345 HydrophobicContact CG1-CD2 4.38Å; V219-L345 HydrophobicContact CG1-CG 4.42Å; V219-L347 HydrophobicContact CG1-CD2 4.24Å; V219-L347 HydrophobicContact CG2-CD2 3.91Å
220	I	98.9	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.7	-177	-49.1	178.7	0	0	0	109.3	A29 H276 R277 T278 T346 R348	A29-I220 HydrophobicContact CB-CD1 4.16Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.37Å; I220-R277 WeakPolarHBondContact CA-O 3.43Å; I220-T278 HydrophobicContact CD1-CG2 4.38Å; I220-T278 HydrophobicContact CG1-CG2 3.87Å; I220-T346 PolarHBondContact N-O 2.75Å; I220-T346 PolarHBondContact O-N 2.81Å; I220-R348 HydrophobicContact CD1-CB 4.27Å
221	G	98.5	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	-176.9	-178.2	0	0	0	0	0	113.7	H276 R277	G221-H276 WeakPolarHBondContact O-CA 3.22Å; G221-R277 PolarHBondContact N-O 2.8Å; G221-R277 PolarHBondContact O-N 3.09Å
222	V	98.6	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.6	172.4	176.8	0	0	0	0	108.4	R24 H25 Y274 H275 G339	R24-V222 WeakPolarHBondContact O-CG2 3.19Å; H25-V222 VanDerWaalsContact O-CG2 3.26Å; H25-V222 WeakPolarHBondContact O-CG2 3.49Å; V222-Y274 HydrophobicContact CG1-CD1 4.1Å; V222-Y274 HydrophobicContact CG1-CD2 3.66Å; V222-Y274 HydrophobicContact CG1-CE1 4.3Å; V222-Y274 HydrophobicContact CG1-CE2 3.87Å; V222-Y274 HydrophobicContact CG1-CG 3.78Å; V222-H275 CarbonylContact C-O 3.37Å; V222-H275 WeakPolarHBondContact CA-O 3.43Å; V222-G339 WeakPolarHBondContact O-CA 3.02Å
223	T	98.7	Very high	98.4	Very high	28 Å²	28	40 Å²	40	17%	0.172	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-64.1	164.5	-176.1	62.3	0	0	0	0	112.6	G225 Y274 H275 R277 V338	T223-G225 PolarHBondContact O-N 3.39Å; T223-Y274 WeakPolarHBondContact O-CA 2.92Å; T223-Y274 PolarHBondContact O-N 3.06Å; T223-Y274 PolarHBondContact OG1-N 3.02Å; T223-Y274 VanDerWaalsContact OG1-N 3.16Å; T223-H275 PolarHBondContact N-O 3.43Å; T223-H275 PolarHBondContact OG1-N 2.75Å; T223-H275 PolarHBondContact OG1-O 3.28Å; T223-R277 HydrophobicContact CG2-CB 4.13Å; T223-R277 HydrophobicContact CG2-CG 3.61Å; T223-V338 HydrophobicContact CG2-CB 4.17Å; T223-V338 HydrophobicContact CG2-CG1 3.9Å
224	K	98.6	Very high	98.4	Very high	121 Å²	121	38 Å²	38	53%	0.526	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-57.2	134.8	171.8	-175	169.5	-177.7	-179.4	0	109.4	G273 Y274 T340	K224-G273 CarbonylContact O-C 3.51Å; K224-G273 WeakPolarHBondContact O-CA 3.23Å; K224-Y274 PolarHBondContact O-N 2.76Å; K224-T340 HydrophobicContact CB-CG2 4.13Å; K224-T340 HydrophobicContact CD-CG2 4.08Å; K224-T340 HydrophobicContact CG-CG2 3.71Å
225	G	98.3	Very high	98.5	Very high	37 Å²	37	36.9 Å²	36.9	38%	0.381	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.4	176.2	0	0	0	0	0	110.7	T223	T223-G225 PolarHBondContact O-N 3.39Å
226	H	98.4	Very high	98.5	Very high	88 Å²	88	41.2 Å²	41.2	41%	0.407	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	4.5	175	-58.7	-72.8	0	0	0	112.9	K229 K272	H226-K229 HydrophobicContact CB-CG 4.45Å; H226-K229 WeakPolarHBondContact O-CE 3.38Å; H226-K272 WeakPolarHBondContact CA-O 3.43Å; H226-K272 HydrophobicContact CB-CB 4.25Å; H226-K272 HydrophobicContact CB-CD 4.44Å; H226-K272 HydrophobicContact CB-CG 4.32Å; H226-K272 WeakPolarHBondContact CB-O 3.4Å; H226-K272 PolarHBondContact N-O 2.96Å
227	G	98.3	Very high	98.5	Very high	32 Å²	32	41 Å²	41	33%	0.33	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.6	-155.6	179.6	0	0	0	0	0	113.7	Q271 K272	G227-Q271 WeakPolarHBondContact O-CA 3.43Å; G227-K272 PolarHBondContact N-O 3.45Å; G227-K272 PolarHBondContact O-N 3.43Å
228	Y	98.6	Very high	98.5	Very high	175 Å²	175	49.7 Å²	49.7	69%	0.686	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.4	175.7	-162.2	-77	0	0	0	110.3	A269	Y228-A269 HydrophobicContact CE1-CB 3.87Å
229	K	98.7	Very high	98.4	Very high	85 Å²	85	55 Å²	55	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145	-179.4	-66.7	-66	169.7	-172.7	0	111.7	H226 R234 A269 G270 K272	H226-K229 HydrophobicContact CB-CG 4.45Å; H226-K229 WeakPolarHBondContact O-CE 3.38Å; K229-R234 HydrophobicContact CB-CB 4.44Å; K229-A269 WeakPolarHBondContact O-CA 3.17Å; K229-G270 PolarHBondContact N-O 3.07Å; K229-G270 PolarHBondContact O-N 2.95Å; K229-K272 HydrophobicContact CB-CB 3.91Å; K229-K272 HydrophobicContact CB-CD 4.34Å; K229-K272 HydrophobicContact CG-CB 3.79Å; K229-K272 HydrophobicContact CG-CD 4.11Å
230	G	98.4	Very high	98.4	Very high	37 Å²	37	57.1 Å²	57.1	38%	0.381	29%	0.29	S	S	.	.			trans	-67.3	166.5	173	0	0	0	0	0	113.3	T232 S233 R234	G230-T232 VanDerWaalsContact C-N 3.32Å; G230-T232 PolarHBondContact O-N 3.25Å; G230-S233 PolarHBondContact O-N 3.41Å; G230-S233 VanDerWaalsContact O-N 3.12Å; G230-R234 WeakPolarHBondContact O-CB 3.34Å; G230-R234 PolarHBondContact O-N 2.91Å
231	V	98.4	Very high	98.4	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.067	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-38.7	-175.7	-67.2	0	0	0	0	113.6	S233 R234 W235 H236 T237 V251 A267 R268	V231-S233 VanDerWaalsContact C-N 3.3Å; V231-S233 PolarHBondContact O-N 3.33Å; V231-R234 PolarHBondContact O-N 3.35Å; V231-W235 WeakPolarHBondContact O-CA 3.14Å; V231-W235 WeakPolarHBondContact O-CB 3.5Å; V231-W235 PolarHBondContact O-N 3.12Å; V231-H236 PolarHBondContact O-N 2.71Å; V231-T237 HydrophobicContact CB-CG2 4.41Å; V231-V251 HydrophobicContact CB-CG2 4.14Å; V231-V251 HydrophobicContact CG1-CG2 4.23Å; V231-V251 HydrophobicContact CG2-CG2 4.05Å; V231-A267 HydrophobicContact CG1-CB 4.49Å; V231-A267 VanDerWaalsContact CG1-O 3.3Å; V231-A267 WeakPolarHBondContact CG1-O 3.3Å; V231-R268 VanDerWaalsContact CG1-C 3.4Å
232	T	98.4	Very high	98.4	Very high	19 Å²	19	71.2 Å²	71.2	12%	0.117	36%	0.356	C	S	.	.	H	α-helix	trans	-60.7	-37.9	177.6	-50.6	0	0	0	0	112.2	G230 H236 K239	G230-T232 VanDerWaalsContact C-N 3.32Å; G230-T232 PolarHBondContact O-N 3.25Å; T232-H236 WeakPolarHBondContact O-CA 3.38Å; T232-H236 PolarHBondContact O-N 3.49Å; T232-K239 HydrophobicContact CG2-CG 3.89Å
233	S	98.3	Very high	98.3	Very high	42 Å²	42	79.7 Å²	79.7	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-86.9	-39.8	177.9	-173.8	0	0	0	0	111.8	G230 V231 K272	G230-S233 PolarHBondContact O-N 3.41Å; G230-S233 VanDerWaalsContact O-N 3.12Å; V231-S233 VanDerWaalsContact C-N 3.3Å; V231-S233 PolarHBondContact O-N 3.33Å; S233-K272 VanDerWaalsContact O-CE 3.32Å; S233-K272 WeakPolarHBondContact O-CE 3.18Å; S233-K272 PolarHBondContact O-NZ 2.73Å; S233-K272 PolarHBondContact OG-NZ 2.93Å; S233-K272 VanDerWaalsContact OG-NZ 3.17Å
234	R	98.3	Very high	98.2	Very high	33 Å²	33	80.6 Å²	80.6	13%	0.125	40%	0.399	C	S	.	.	H	α-helix	trans	-74.4	-37.7	-174.8	-171	-179	-175.6	-143.9	4.4	112.7	R19 K229 G230 V231 R268 A269 Q271 K272	R19-R234 PolarHBondContact NH1-O 3.23Å; R19-R234 PolarHBondContact O-NH2 2.88Å; R19-R234 VanDerWaalsContact O-NH2 3.07Å; K229-R234 HydrophobicContact CB-CB 4.44Å; G230-R234 WeakPolarHBondContact O-CB 3.34Å; G230-R234 PolarHBondContact O-N 2.91Å; V231-R234 PolarHBondContact O-N 3.35Å; R234-R268 WeakPolarHBondContact CD-O 3.14Å; R234-R268 PolarHBondContact NH1-O 3.38Å; R234-A269 PolarHBondContact NH1-O 3.1Å; R234-A269 VanDerWaalsContact NH1-O 3.09Å; R234-Q271 PolarHBondContact NE-O 2.73Å; R234-K272 HydrophobicContact CG-CB 4.35Å
235	W	98.3	Very high	98.1	Very high	8 Å²	8	82.1 Å²	82.1	3%	0.03	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-5.6	-173.9	-68.1	100.3	0	0	0	113.8	H11 L17 R19 V231 T237 A267 R268	H11-W235 VanDerWaalsContact O-CE3 3.32Å; L17-W235 HydrophobicContact CD2-CH2 3.95Å; L17-W235 HydrophobicContact CD2-CZ2 4.11Å; L17-W235 HydrophobicContact CG-CH2 4.47Å; R19-W235 VanDerWaalsContact CZ-CZ3 3.43Å; V231-W235 WeakPolarHBondContact O-CA 3.14Å; V231-W235 WeakPolarHBondContact O-CB 3.5Å; V231-W235 PolarHBondContact O-N 3.12Å; W235-T237 VanDerWaalsContact C-N 3.26Å; W235-T237 HydrophobicContact CB-CG2 4.04Å; W235-T237 PolarHBondContact O-N 3.47Å; W235-A267 HydrophobicContact CB-CB 3.69Å; W235-A267 HydrophobicContact CD2-CB 4.01Å; W235-A267 HydrophobicContact CG-CB 3.53Å; W235-R268 VanDerWaalsContact CD1-O 3.31Å; W235-R268 PolarHBondContact NE1-O 3.42Å
236	H	98.3	Very high	98	Very high	129 Å²	129	89.9 Å²	89.9	60%	0.597	43%	0.425	S	S	*	.			trans	60.7	35.3	-179.8	-52.6	-83.8	0	0	0	112.8	H11 V231 T232	H11-H236 PolarHBondContact CE1-O 3.19Å; H11-H236 PolarHBondContact ND1-O 3.47Å; V231-H236 PolarHBondContact O-N 2.71Å; T232-H236 WeakPolarHBondContact O-CA 3.38Å; T232-H236 PolarHBondContact O-N 3.49Å
237	T	98.1	Very high	97.9	Very high	14 Å²	14	87.6 Å²	87.6	9%	0.086	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-68.3	146.7	172.4	64	0	0	0	0	110.1	H11 V231 W235 V251 A267	H11-T237 HydrophobicContact CB-CG2 4.36Å; V231-T237 HydrophobicContact CB-CG2 4.41Å; W235-T237 VanDerWaalsContact C-N 3.26Å; W235-T237 HydrophobicContact CB-CG2 4.04Å; W235-T237 PolarHBondContact O-N 3.47Å; T237-V251 HydrophobicContact CG2-CG2 3.94Å; T237-A267 HydrophobicContact CG2-CB 3.86Å
238	K	98.1	Very high	97.8	Very high	183 Å²	183	88.3 Å²	88.3	80%	0.796	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-56.4	141.8	172.9	-167	173.9	178.8	176.3	0	110.4
239	K	98.3	Very high	97.8	Very high	113 Å²	113	87 Å²	87	49%	0.491	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-70.4	145.8	170.2	-69.2	171.3	62.6	-170.5	0	109.2	T232 L248	T232-K239 HydrophobicContact CG2-CG 3.89Å; K239-L248 HydrophobicContact CB-CD1 4.15Å; K239-L248 HydrophobicContact CD-CD1 4.29Å; K239-L248 HydrophobicContact CG-CD1 4.26Å
240	L	98.4	Very high	97.8	Very high	45 Å²	45	88.2 Å²	88.2	24%	0.236	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-72.7	163.5	171.7	-54.8	178.5	0	0	0	110.5	T244 L248 A252	L240-T244 HydrophobicContact CB-CG2 4.19Å; L240-T244 WeakPolarHBondContact CB-OG1 3.37Å; L240-T244 HydrophobicContact CD1-CG2 3.91Å; L240-L248 HydrophobicContact CB-CB 4.22Å; L240-L248 PolarHBondContact N-O 3.36Å; L240-A252 HydrophobicContact CD1-CB 4.39Å; L240-A252 HydrophobicContact CD2-CB 3.87Å
241	P	98.5	Very high	97.8	Very high	99 Å²	99	88.6 Å²	88.6	64%	0.643	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-53.8	153.9	177.5	-27.4	36.2	0	0	0	113.4	K243 T244	P241-K243 VanDerWaalsContact C-N 3.3Å; P241-K243 PolarHBondContact O-N 3.48Å; P241-T244 WeakPolarHBondContact O-CB 3.42Å; P241-T244 PolarHBondContact O-N 3.46Å; P241-T244 VanDerWaalsContact O-N 3.14Å; P241-T244 PolarHBondContact O-OG1 3.31Å
242	R	98	Very high	97.7	Very high	196 Å²	196	92 Å²	92	74%	0.74	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-42.7	-175.9	-173.1	-176.1	65.5	78.2	-8.5	113	T244	R242-T244 PolarHBondContact O-N 2.73Å
243	K	97.3	Very high	97.6	Very high	179 Å²	179	95.5 Å²	95.5	78%	0.778	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	22.2	-177.4	-61.4	-174.4	177.7	-176.9	0	113.8	P241 H245	P241-K243 VanDerWaalsContact C-N 3.3Å; P241-K243 PolarHBondContact O-N 3.48Å; K243-H245 PolarHBondContact O-N 2.96Å
244	T	97.4	Very high	97.6	Very high	47 Å²	47	96.9 Å²	96.9	29%	0.288	47%	0.472	S	S	.	.			trans	-75.9	121.1	178.9	-53.7	0	0	0	0	110.7	L240 P241 R242	L240-T244 HydrophobicContact CB-CG2 4.19Å; L240-T244 WeakPolarHBondContact CB-OG1 3.37Å; L240-T244 HydrophobicContact CD1-CG2 3.91Å; P241-T244 WeakPolarHBondContact O-CB 3.42Å; P241-T244 PolarHBondContact O-N 3.46Å; P241-T244 VanDerWaalsContact O-N 3.14Å; P241-T244 PolarHBondContact O-OG1 3.31Å; R242-T244 PolarHBondContact O-N 2.73Å
245	H	95.9	Very high	97.5	Very high	153 Å²	153	97.3 Å²	97.3	71%	0.708	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	145.7	173.8	-175	-126.2	0	0	0	111.6	K243 G247	K243-H245 PolarHBondContact O-N 2.96Å; H245-G247 PolarHBondContact O-N 3.34Å
246	R	95.1	Very high	97.4	Very high	200 Å²	200	100.5 Å²	100.5	76%	0.755	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	28.9	-179.1	-62.2	173.4	-178.5	179.8	1.6	115.2	K250	R246-K250 WeakPolarHBondContact O-CE 3.46Å; R246-K250 PolarHBondContact O-NZ 3.38Å
247	G	96.3	Very high	97.2	Very high	39 Å²	39	104.6 Å²	104.6	40%	0.402	53%	0.525	S	S	.	.			trans	96.5	137.1	160.9	0	0	0	0	0	115.3	H245	H245-G247 PolarHBondContact O-N 3.34Å
248	L	97.7	Very high	97.1	Very high	48 Å²	48	110.7 Å²	110.7	25%	0.251	55%	0.552	S	S	.	*	S	Bend	trans	-93.8	-7.3	-167.5	63	87.2	0	0	0	115.8	K239 L240 K250	K239-L248 HydrophobicContact CB-CD1 4.15Å; K239-L248 HydrophobicContact CD-CD1 4.29Å; K239-L248 HydrophobicContact CG-CD1 4.26Å; L240-L248 HydrophobicContact CB-CB 4.22Å; L240-L248 PolarHBondContact N-O 3.36Å; L248-K250 PolarHBondContact O-N 2.73Å
249	R	98.1	Very high	97	Very high	146 Å²	146	106.1 Å²	106.1	55%	0.551	54%	0.541	S	S	*	.	S	Bend	trans	-99.6	50.5	-175	-57.5	-171.6	78.8	126.7	2.7	112.3
250	K	98.1	Very high	96.9	Very high	112 Å²	112	105 Å²	105	49%	0.487	55%	0.553	S	S	.	*	S	Bend	trans	-134.8	168.4	-172.6	-63.5	179.2	178.7	177.8	0	110.6	R246 L248	R246-K250 WeakPolarHBondContact O-CE 3.46Å; R246-K250 PolarHBondContact O-NZ 3.38Å; L248-K250 PolarHBondContact O-N 2.73Å
251	V	98.1	Very high	96.9	Very high	45 Å²	45	112.4 Å²	112.4	27%	0.273	58%	0.578	S	S	.	*			trans	-88.6	129.1	163.6	177.6	0	0	0	0	106.1	V231 T237 C253 I254 A267	V231-V251 HydrophobicContact CB-CG2 4.14Å; V231-V251 HydrophobicContact CG1-CG2 4.23Å; V231-V251 HydrophobicContact CG2-CG2 4.05Å; T237-V251 HydrophobicContact CG2-CG2 3.94Å; V251-C253 VanDerWaalsContact CG1-O 3.24Å; V251-C253 WeakPolarHBondContact CG1-O 3.37Å; V251-I254 HydrophobicContact CB-CG2 4.45Å; V251-I254 HydrophobicContact CG1-CG2 4.43Å; V251-A267 HydrophobicContact CG2-CB 4.11Å
252	A	97.4	Very high	96.8	Very high	83 Å²	83	110.9 Å²	110.9	69%	0.686	57%	0.566	S	S	*	*	S	Bend	trans	-67.2	-55.5	-176.3	0	0	0	0	0	112.1	L240	L240-A252 HydrophobicContact CD1-CB 4.39Å; L240-A252 HydrophobicContact CD2-CB 3.87Å
253	C	96.6	Very high	96.8	Very high	92 Å²	92	103.5 Å²	103.5	62%	0.622	55%	0.547	S	S	*	.			trans	-112.3	124.7	177.8	179.5	0	0	0	0	110.4	V251 G255	V251-C253 VanDerWaalsContact CG1-O 3.24Å; V251-C253 WeakPolarHBondContact CG1-O 3.37Å; C253-G255 PolarHBondContact SG-O 2.64Å
254	I	97.6	Very high	96.8	Very high	71 Å²	71	102.8 Å²	102.8	36%	0.364	55%	0.545	S	S	.	.			trans	-100.2	4.7	-177	62.1	173.6	0	0	0	114	V251 V262 V266	V251-I254 HydrophobicContact CB-CG2 4.45Å; V251-I254 HydrophobicContact CG1-CG2 4.43Å; I254-V262 HydrophobicContact CD1-CG2 3.77Å; I254-V262 HydrophobicContact CG1-CG2 4.25Å; I254-V266 HydrophobicContact CB-CG1 4.13Å; I254-V266 HydrophobicContact CG2-CG1 4.33Å; I254-V266 WeakPolarHBondContact O-CG2 3.27Å
255	G	96	Very high	96.8	Very high	42 Å²	42	102.4 Å²	102.4	43%	0.433	54%	0.544	S	S	.	.			trans	159.9	158.8	-178.6	0	0	0	0	0	111.1	C253	C253-G255 PolarHBondContact SG-O 2.64Å
256	A	96	Very high	96.9	Very high	74 Å²	74	96.5 Å²	96.5	61%	0.612	52%	0.518	S	S	*	.			trans	-74	172.6	167.6	0	0	0	0	0	110.5
257	W	95.5	Very high	97	Very high	216 Å²	216	87.7 Å²	87.7	82%	0.818	49%	0.488	S	S	*	.	S	Bend	trans	-62	-50.8	172.7	-174.6	-7.1	0	0	0	110.9	P259 A260	W257-P259 CarbonylContact O-C 3.18Å; W257-A260 VanDerWaalsContact O-CA 3.25Å; W257-A260 WeakPolarHBondContact O-CA 3.03Å; W257-A260 PolarHBondContact O-N 2.75Å
258	H	95.2	Very high	97.2	Very high	141 Å²	141	91.7 Å²	91.7	65%	0.653	49%	0.491	S	S	*	.	S	Bend	trans	-109	122.6	174.5	-64.2	91.6	0	0	0	108.9
259	P	95.9	Very high	97.2	Very high	87 Å²	87	91.2 Å²	91.2	57%	0.565	49%	0.494	S	S	*	.	S	Bend	cis	-74.1	142.4	4.5	30.8	-35.7	0	0	0	113.5	W257 R261	W257-P259 CarbonylContact O-C 3.18Å; P259-R261 HydrophobicContact CB-CG 4.41Å; P259-R261 PolarHBondContact O-N 2.98Å
260	A	96.7	Very high	97.2	Very high	91 Å²	91	84.6 Å²	84.6	75%	0.752	47%	0.471	S	S	*	.	S	Bend	trans	-74.8	44.9	-177	0	0	0	0	0	113.8	W257	W257-A260 VanDerWaalsContact O-CA 3.25Å; W257-A260 WeakPolarHBondContact O-CA 3.03Å; W257-A260 PolarHBondContact O-N 2.75Å
261	R	97.4	Very high	97.2	Very high	200 Å²	200	81.2 Å²	81.2	76%	0.755	46%	0.457	S	S	*	.	S	Bend	trans	-151.4	144.3	177	65.8	-174.7	-174.4	-174.2	-0.5	110.8	P259 A263	P259-R261 HydrophobicContact CB-CG 4.41Å; P259-R261 PolarHBondContact O-N 2.98Å; R261-A263 PolarHBondContact O-N 2.93Å
262	V	97.8	Very high	97.3	Very high	66 Å²	66	81.3 Å²	81.3	40%	0.4	45%	0.454	S	S	.	.			trans	-73	120	173	-177	0	0	0	0	109.5	I254 V266	I254-V262 HydrophobicContact CD1-CG2 3.77Å; I254-V262 HydrophobicContact CG1-CG2 4.25Å; V262-V266 HydrophobicContact CG1-CB 4.26Å; V262-V266 HydrophobicContact CG1-CG1 4.47Å; V262-V266 HydrophobicContact CG1-CG2 4.41Å
263	A	97.5	Very high	97.3	Very high	41 Å²	41	77.7 Å²	77.7	34%	0.339	42%	0.424	S	S	.	.			trans	-67.8	145.2	-179.3	0	0	0	0	0	112.2	R261 S265 V266	R261-A263 PolarHBondContact O-N 2.93Å; A263-S265 PolarHBondContact O-N 3.46Å; A263-S265 VanDerWaalsContact O-N 3.08Å; A263-V266 HydrophobicContact CB-CG2 4.17Å; A263-V266 WeakPolarHBondContact O-CB 3.44Å; A263-V266 PolarHBondContact O-N 3.39Å; A263-V266 VanDerWaalsContact O-N 3.14Å
264	F	97.5	Very high	97.4	Very high	165 Å²	165	75.2 Å²	75.2	72%	0.724	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.8	176.1	73.9	-88.4	0	0	0	113.3	L14 L17 V266	L14-F264 HydrophobicContact CD1-CE2 4.2Å; L17-F264 HydrophobicContact CD1-CD2 3.95Å; L17-F264 HydrophobicContact CD1-CE2 4.44Å; F264-V266 VanDerWaalsContact C-N 3.29Å
265	S	97.2	Very high	97.5	Very high	38 Å²	38	72.8 Å²	72.8	27%	0.266	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12	-177.3	67.5	0	0	0	0	113.2	R10 A263	R10-S265 PolarHBondContact NH2-O 2.68Å; R10-S265 VanDerWaalsContact NH2-O 3.11Å; A263-S265 PolarHBondContact O-N 3.46Å; A263-S265 VanDerWaalsContact O-N 3.08Å
266	V	97.6	Very high	97.6	Very high	30 Å²	30	72.5 Å²	72.5	18%	0.182	38%	0.377	C	S	.	.	S	Bend	trans	-77.3	137	-179	177.3	0	0	0	0	110.6	I254 V262 A263 F264 R268	I254-V266 HydrophobicContact CB-CG1 4.13Å; I254-V266 HydrophobicContact CG2-CG1 4.33Å; I254-V266 WeakPolarHBondContact O-CG2 3.27Å; V262-V266 HydrophobicContact CG1-CB 4.26Å; V262-V266 HydrophobicContact CG1-CG1 4.47Å; V262-V266 HydrophobicContact CG1-CG2 4.41Å; A263-V266 HydrophobicContact CB-CG2 4.17Å; A263-V266 WeakPolarHBondContact O-CB 3.44Å; A263-V266 PolarHBondContact O-N 3.39Å; A263-V266 VanDerWaalsContact O-N 3.14Å; F264-V266 VanDerWaalsContact C-N 3.29Å; V266-R268 PolarHBondContact O-N 2.91Å; V266-R268 VanDerWaalsContact O-N 3.15Å
267	A	98.1	Very high	97.7	Very high	14 Å²	14	71.8 Å²	71.8	12%	0.116	36%	0.358	C	S	.	.			trans	-66.3	114.7	176.8	0	0	0	0	0	111	V231 W235 T237 V251	V231-A267 HydrophobicContact CG1-CB 4.49Å; V231-A267 VanDerWaalsContact CG1-O 3.3Å; V231-A267 WeakPolarHBondContact CG1-O 3.3Å; W235-A267 HydrophobicContact CB-CB 3.69Å; W235-A267 HydrophobicContact CD2-CB 4.01Å; W235-A267 HydrophobicContact CG-CB 3.53Å; T237-A267 HydrophobicContact CG2-CB 3.86Å; V251-A267 HydrophobicContact CG2-CB 4.11Å
268	R	98.4	Very high	97.8	Very high	124 Å²	124	64.2 Å²	64.2	47%	0.468	34%	0.336	S	S	.	.			trans	-117.2	153.9	173.8	-57.4	-60.7	-67.8	-88.2	2.2	111.7	V231 R234 W235 V266	V231-R268 VanDerWaalsContact CG1-C 3.4Å; R234-R268 WeakPolarHBondContact CD-O 3.14Å; R234-R268 PolarHBondContact NH1-O 3.38Å; W235-R268 VanDerWaalsContact CD1-O 3.31Å; W235-R268 PolarHBondContact NE1-O 3.42Å; V266-R268 PolarHBondContact O-N 2.91Å; V266-R268 VanDerWaalsContact O-N 3.15Å
269	A	98.5	Very high	98	Very high	37 Å²	37	60 Å²	60	31%	0.306	32%	0.316	S	S	.	.			trans	-63.8	160.1	171.4	0	0	0	0	0	110.8	Y228 K229 R234	Y228-A269 HydrophobicContact CE1-CB 3.87Å; K229-A269 WeakPolarHBondContact O-CA 3.17Å; R234-A269 PolarHBondContact NH1-O 3.1Å; R234-A269 VanDerWaalsContact NH1-O 3.09Å
270	G	98.6	Very high	98.1	Very high	7 Å²	7	60 Å²	60	7%	0.072	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-162.9	178.7	0	0	0	0	0	113	K229 K272	K229-G270 PolarHBondContact N-O 3.07Å; K229-G270 PolarHBondContact O-N 2.95Å; G270-K272 PolarHBondContact O-N 3.35Å
271	Q	98.5	Very high	98.2	Very high	42 Å²	42	58.8 Å²	58.8	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	129.9	179.7	178.6	65.7	25.4	0	0	112.2	R21 G227 R234 G273	R21-Q271 HydrophobicContact CG-CG 3.83Å; G227-Q271 WeakPolarHBondContact O-CA 3.43Å; R234-Q271 PolarHBondContact NE-O 2.73Å; Q271-G273 PolarHBondContact NE2-O 2.77Å
272	K	98.6	Very high	98.2	Very high	47 Å²	47	50.9 Å²	50.9	20%	0.204	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.2	167.6	-175.2	-176.7	179.7	175.1	0	110.1	H226 G227 K229 S233 R234 G270	H226-K272 WeakPolarHBondContact CA-O 3.43Å; H226-K272 HydrophobicContact CB-CB 4.25Å; H226-K272 HydrophobicContact CB-CD 4.44Å; H226-K272 HydrophobicContact CB-CG 4.32Å; H226-K272 WeakPolarHBondContact CB-O 3.4Å; H226-K272 PolarHBondContact N-O 2.96Å; G227-K272 PolarHBondContact N-O 3.45Å; G227-K272 PolarHBondContact O-N 3.43Å; K229-K272 HydrophobicContact CB-CB 3.91Å; K229-K272 HydrophobicContact CB-CD 4.34Å; K229-K272 HydrophobicContact CG-CB 3.79Å; K229-K272 HydrophobicContact CG-CD 4.11Å; S233-K272 VanDerWaalsContact O-CE 3.32Å; S233-K272 WeakPolarHBondContact O-CE 3.18Å; S233-K272 PolarHBondContact O-NZ 2.73Å; S233-K272 PolarHBondContact OG-NZ 2.93Å; S233-K272 VanDerWaalsContact OG-NZ 3.17Å; R234-K272 HydrophobicContact CG-CB 4.35Å; G270-K272 PolarHBondContact O-N 3.35Å
273	G	98.3	Very high	98.3	Very high	6 Å²	6	48 Å²	48	6%	0.062	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.9	-179.7	178.8	0	0	0	0	0	113.3	K224 Q271 H275	K224-G273 CarbonylContact O-C 3.51Å; K224-G273 WeakPolarHBondContact O-CA 3.23Å; Q271-G273 PolarHBondContact NE2-O 2.77Å; G273-H275 VanDerWaalsContact C-N 3.28Å; G273-H275 PolarHBondContact N-NE2 3.07Å; G273-H275 PolarHBondContact O-CE1 2.8Å; G273-H275 VanDerWaalsContact O-CE1 3.26Å; G273-H275 PolarHBondContact O-ND1 3.33Å
274	Y	98.6	Very high	98.3	Very high	41 Å²	41	46 Å²	46	16%	0.161	23%	0.229	C	C	.	.			trans	59.5	39.7	-166.6	-155.4	-101.5	0	0	0	112.2	R21 S22 H25 V222 T223 K224	R21-Y274 CarbonylContact C-O 3.55Å; R21-Y274 HydrophobicContact CB-CD1 3.86Å; R21-Y274 HydrophobicContact CG-CD1 4.1Å; S22-Y274 WeakPolarHBondContact CB-O 3.15Å; S22-Y274 PolarHBondContact N-O 3.48Å; S22-Y274 WeakPolarHBondContact O-CE1 3.3Å; H25-Y274 AromaticContact ND1-CZ 3.95Å; H25-Y274 PolarHBondContact ND1-OH 2.77Å; V222-Y274 HydrophobicContact CG1-CD1 4.1Å; V222-Y274 HydrophobicContact CG1-CD2 3.66Å; V222-Y274 HydrophobicContact CG1-CE1 4.3Å; V222-Y274 HydrophobicContact CG1-CE2 3.87Å; V222-Y274 HydrophobicContact CG1-CG 3.78Å; T223-Y274 WeakPolarHBondContact O-CA 2.92Å; T223-Y274 PolarHBondContact O-N 3.06Å; T223-Y274 PolarHBondContact OG1-N 3.02Å; T223-Y274 VanDerWaalsContact OG1-N 3.16Å; K224-Y274 PolarHBondContact O-N 2.76Å
275	H	98.7	Very high	98.4	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.088	19%	0.194	C	C	.	.			trans	-102.9	148.7	177.9	-51.5	-44.1	0	0	0	110	K20 V222 T223 G273	K20-H275 PolarHBondContact O-CE1 2.76Å; K20-H275 PolarHBondContact O-ND1 3.17Å; V222-H275 CarbonylContact C-O 3.37Å; V222-H275 WeakPolarHBondContact CA-O 3.43Å; T223-H275 PolarHBondContact N-O 3.43Å; T223-H275 PolarHBondContact OG1-N 2.75Å; T223-H275 PolarHBondContact OG1-O 3.28Å; G273-H275 VanDerWaalsContact C-N 3.28Å; G273-H275 PolarHBondContact N-NE2 3.07Å; G273-H275 PolarHBondContact O-CE1 2.8Å; G273-H275 VanDerWaalsContact O-CE1 3.26Å; G273-H275 PolarHBondContact O-ND1 3.33Å
276	H	98.7	Very high	98.4	Very high	37 Å²	37	39 Å²	39	17%	0.171	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.4	169.6	175.3	-84.9	0	0	0	109.7	K28 I220 G221	K28-H276 PolarHBondContact N-NE2 2.79Å; K28-H276 PolarHBondContact O-NE2 3.48Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.37Å; G221-H276 WeakPolarHBondContact O-CA 3.22Å
277	R	98.4	Very high	98.5	Very high	59 Å²	59	39.4 Å²	39.4	22%	0.223	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.3	178	-69.5	-63.9	179.3	-93.7	1	110.3	F16 I220 G221 T223 V338	F16-R277 VanDerWaalsContact CD1-CZ 3.49Å; I220-R277 WeakPolarHBondContact CA-O 3.43Å; G221-R277 PolarHBondContact N-O 2.8Å; G221-R277 PolarHBondContact O-N 3.09Å; T223-R277 HydrophobicContact CG2-CB 4.13Å; T223-R277 HydrophobicContact CG2-CG 3.61Å; R277-V338 HydrophobicContact CB-CG1 4.1Å
278	T	98.6	Very high	98.4	Very high	57 Å²	57	38.9 Å²	38.9	35%	0.35	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.9	171.3	-63.7	0	0	0	0	106.3	D218 I220 I280	D218-T278 HydrophobicContact CB-CG2 4.35Å; I220-T278 HydrophobicContact CD1-CG2 4.38Å; I220-T278 HydrophobicContact CG1-CG2 3.87Å; T278-I280 HydrophobicContact CG2-CG2 4.03Å
279	E	98.6	Very high	98.3	Very high	52 Å²	52	38.2 Å²	38.2	24%	0.243	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.9	170.5	-64.6	-176	-176.4	0	0	107.7	D218 V219 K282 V338	D218-E279 CarbonylContact C-O 3.59Å; D218-E279 WeakPolarHBondContact CA-O 3.16Å; V219-E279 PolarHBondContact N-O 3.39Å; V219-E279 PolarHBondContact O-N 3.46Å; E279-K282 WeakPolarHBondContact OE2-CE 3.19Å; E279-K282 IonicContact OE2-NZ 3.26Å; E279-K282 PolarHBondContact OE2-NZ 3.37Å; E279-V338 HydrophobicContact CG-CG1 3.97Å; E279-V338 WeakPolarHBondContact OE1-CG1 3.3Å
280	I	98.3	Very high	98.1	Very high	87 Å²	87	36.7 Å²	36.7	45%	0.446	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	166.4	-178.7	64.9	173.4	0	0	0	111.6	D218 T278 K282 L352	D218-I280 HydrophobicContact CB-CG2 4.43Å; D218-I280 WeakPolarHBondContact OD1-CA 3.41Å; D218-I280 VanDerWaalsContact OD1-CB 3.27Å; D218-I280 WeakPolarHBondContact OD1-CB 3.32Å; D218-I280 WeakPolarHBondContact OD1-CG2 3.24Å; T278-I280 HydrophobicContact CG2-CG2 4.03Å; I280-K282 PolarHBondContact O-N 2.8Å; I280-L352 HydrophobicContact CD1-CD1 4.43Å
281	N	97.9	Very high	97.9	Very high	66 Å²	66	39 Å²	39	35%	0.353	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	46.7	170.4	-58.4	-18.1	0	0	0	113.2	M216 I217 D218 Q354	M216-N281 HydrophobicContact SD-CB 4.2Å; I217-N281 PolarHBondContact O-N 3.04Å; D218-N281 PolarHBondContact OD1-N 3.19Å; N281-Q354 PolarHBondContact OD1-NE2 3Å
282	K	98.6	Very high	97.6	Very high	34 Å²	34	39.5 Å²	39.5	15%	0.148	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.4	171.8	-63.5	-65.4	179.9	165	0	108.5	I217 V219 E279 I280 V333 C336	I217-K282 HydrophobicContact CG1-CB 4.37Å; I217-K282 VanDerWaalsContact CG1-O 3.23Å; I217-K282 WeakPolarHBondContact CG1-O 3.29Å; I217-K282 PolarHBondContact N-O 3.08Å; I217-K282 WeakPolarHBondContact O-CB 3.09Å; I217-K282 PolarHBondContact O-N 3.36Å; V219-K282 HydrophobicContact CG2-CB 4.1Å; V219-K282 HydrophobicContact CG2-CG 3.97Å; E279-K282 WeakPolarHBondContact OE2-CE 3.19Å; E279-K282 IonicContact OE2-NZ 3.26Å; E279-K282 PolarHBondContact OE2-NZ 3.37Å; I280-K282 PolarHBondContact O-N 2.8Å; K282-V333 HydrophobicContact CB-CG1 3.52Å; K282-V333 HydrophobicContact CD-CG1 4.46Å; K282-V333 HydrophobicContact CG-CG1 4.28Å; K282-C336 PolarHBondContact NZ-O 2.89Å
283	K	98.6	Very high	97.2	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.022	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.9	-178.6	-158.6	172.4	173.3	78.8	0	110.7	D214 M216 Y285 K334 A359 E361 I363	D214-K283 PolarHBondContact O-NZ 3.34Å; M216-K283 HydrophobicContact CE-CB 3.77Å; M216-K283 HydrophobicContact CE-CD 4Å; M216-K283 HydrophobicContact CE-CG 4.05Å; M216-K283 HydrophobicContact SD-CB 3.64Å; M216-K283 HydrophobicContact SD-CG 4.14Å; M216-K283 PolarHBondContact SD-N 3.29Å; K283-Y285 HydrophobicContact CB-CD1 4.23Å; K283-Y285 HydrophobicContact CB-CE1 3.98Å; K283-Y285 HydrophobicContact CD-CE1 4.05Å; K283-Y285 HydrophobicContact CG-CD1 4.3Å; K283-Y285 HydrophobicContact CG-CE1 4.18Å; K283-K334 HydrophobicContact CB-CB 4.32Å; K283-K334 PolarHBondContact O-N 3.23Å; K283-A359 PolarHBondContact NZ-O 3.46Å; K283-E361 WeakPolarHBondContact CE-O 3.35Å; K283-E361 PolarHBondContact NZ-O 3.3Å; K283-I363 HydrophobicContact CD-CD1 4.04Å; K283-I363 HydrophobicContact CD-CG1 3.99Å
284	I	98.8	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.7	168	-62.7	178.6	0	0	0	108	F211 D214 E215 I217 I287 V331	F211-I284 HydrophobicContact CB-CD1 3.71Å; F211-I284 HydrophobicContact CG-CD1 4.14Å; D214-I284 WeakPolarHBondContact CA-O 3.49Å; D214-I284 PolarHBondContact N-O 3.3Å; E215-I284 PolarHBondContact O-N 3Å; I217-I284 HydrophobicContact CD1-CD1 4.12Å; I217-I284 HydrophobicContact CD1-CG1 4.01Å; I217-I284 HydrophobicContact CG1-CD1 4.35Å; I217-I284 HydrophobicContact CG1-CG1 4.05Å; I217-I284 HydrophobicContact CG2-CD1 3.72Å; I217-I284 HydrophobicContact CG2-CG1 4.19Å; I284-I287 HydrophobicContact CG2-CD1 4.42Å; I284-I287 HydrophobicContact CG2-CG1 3.72Å; I284-V331 HydrophobicContact CB-CG1 4.39Å; I284-V331 HydrophobicContact CD1-CG1 3.99Å; I284-V331 HydrophobicContact CG1-CG1 3.78Å; I284-V331 HydrophobicContact CG2-CG1 3.92Å
285	Y	98.4	Very high	96	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-25.9	178.6	-84.5	20.7	0	0	0	112.6	I56 E74 V76 Q213 K283 M332 K334 I363 L365	I56-Y285 HydrophobicContact CD1-CD2 4.22Å; I56-Y285 HydrophobicContact CD1-CE2 4.07Å; I56-Y285 HydrophobicContact CG1-CD2 4.09Å; I56-Y285 HydrophobicContact CG1-CE2 4.32Å; E74-Y285 HydrophobicContact CB-CE2 4.41Å; E74-Y285 WeakPolarHBondContact OE2-CE2 3.18Å; E74-Y285 VanDerWaalsContact OE2-CZ 3.28Å; E74-Y285 PolarHBondContact OE2-OH 3.22Å; V76-Y285 HydrophobicContact CG1-CD2 3.77Å; V76-Y285 HydrophobicContact CG1-CE2 4.3Å; Q213-Y285 PolarHBondContact NE2-O 3.3Å; K283-Y285 HydrophobicContact CB-CD1 4.23Å; K283-Y285 HydrophobicContact CB-CE1 3.98Å; K283-Y285 HydrophobicContact CD-CE1 4.05Å; K283-Y285 HydrophobicContact CG-CD1 4.3Å; K283-Y285 HydrophobicContact CG-CE1 4.18Å; Y285-M332 PolarHBondContact N-O 3.13Å; Y285-K334 HydrophobicContact CD1-CB 4.07Å; Y285-K334 HydrophobicContact CE1-CB 3.64Å; Y285-K334 HydrophobicContact CE1-CD 3.96Å; Y285-K334 HydrophobicContact CE1-CG 3.96Å; Y285-K334 HydrophobicContact CE2-CB 4.39Å; Y285-K334 HydrophobicContact CE2-CG 4.25Å; Y285-K334 WeakPolarHBondContact OH-CD 3.43Å; Y285-K334 VanDerWaalsContact OH-CE 3.3Å; Y285-K334 WeakPolarHBondContact OH-CE 3.28Å; Y285-K334 PolarHBondContact OH-NZ 2.82Å; Y285-I363 HydrophobicContact CD1-CB 4.48Å; Y285-I363 HydrophobicContact CD1-CD1 4.35Å; Y285-I363 HydrophobicContact CD1-CG1 3.89Å; Y285-I363 HydrophobicContact CD1-CG2 4.1Å; Y285-I363 HydrophobicContact CD2-CG2 4.18Å; Y285-I363 HydrophobicContact CE1-CD1 3.85Å; Y285-I363 HydrophobicContact CE1-CG1 3.89Å; Y285-I363 HydrophobicContact CE1-CG2 4.42Å; Y285-I363 HydrophobicContact CE2-CG2 4.5Å; Y285-I363 HydrophobicContact CG-CG2 3.95Å; Y285-L365 HydrophobicContact CD2-CD2 4.16Å
286	K	98.3	Very high	95.4	Very high	53 Å²	53	55.7 Å²	55.7	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	134.5	173.7	-160.2	176.7	177.9	89.5	0	108.7	N302 M332 L365 I368	K286-N302 WeakPolarHBondContact CE-O 3.41Å; K286-M332 HydrophobicContact CB-CB 3.93Å; K286-M332 HydrophobicContact CB-SD 4.3Å; K286-M332 PolarHBondContact O-N 3.04Å; K286-L365 HydrophobicContact CB-CD1 4.11Å; K286-L365 HydrophobicContact CD-CD1 4.3Å; K286-I368 HydrophobicContact CD-CD1 4.25Å
287	I	98.3	Very high	94.9	Very high	39 Å²	39	61.7 Å²	61.7	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	99.7	157.3	-56.9	-178.1	0	0	0	106	V207 F211 Q213 I284	V207-I287 HydrophobicContact CG1-CG2 3.84Å; F211-I287 HydrophobicContact CB-CD1 4.15Å; F211-I287 WeakPolarHBondContact O-CD1 3.4Å; Q213-I287 VanDerWaalsContact OE1-N 3.13Å; I284-I287 HydrophobicContact CG2-CD1 4.42Å; I284-I287 HydrophobicContact CG2-CG1 3.72Å
288	G	96.3	Very high	94.4	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.4	-177	0	0	0	0	0	111	D329 F330	G288-D329 CarbonylContact O-C 3.52Å; G288-D329 VanDerWaalsContact O-CA 3.25Å; G288-D329 WeakPolarHBondContact O-CA 3.27Å; G288-F330 PolarHBondContact N-O 3.12Å; G288-F330 PolarHBondContact O-N 3Å
289	Q	96	Very high	94	Very high	110 Å²	110	62.3 Å²	62.3	51%	0.514	33%	0.326	S	S	.	.			trans	-74.3	143.6	174.5	-164	173.7	4.7	0	0	110.5	H292 N302 D329	Q289-H292 PolarHBondContact OE1-CE1 2.81Å; Q289-H292 VanDerWaalsContact OE1-CE1 3.32Å; Q289-N302 VanDerWaalsContact O-CB 3.22Å; Q289-N302 WeakPolarHBondContact O-CB 3.23Å; Q289-N302 PolarHBondContact O-ND2 2.71Å; Q289-D329 WeakPolarHBondContact CA-OD1 3.44Å
290	G	94.5	Very high	93.6	Very high	6 Å²	6	64.5 Å²	64.5	6%	0.062	34%	0.335	C	S	.	.			trans	-64.7	177.7	169.7	0	0	0	0	0	112.7	H292 T327 D329	G290-H292 PolarHBondContact O-N 2.71Å; G290-H292 PolarHBondContact O-ND1 3.1Å; G290-T327 CarbonylContact C-O 3.41Å; G290-T327 VanDerWaalsContact CA-O 3.27Å; G290-T327 WeakPolarHBondContact CA-O 3.46Å; G290-D329 PolarHBondContact N-OD1 3.12Å
291	Y	95.1	Very high	93.2	Very high	54 Å²	54	63.6 Å²	63.6	21%	0.212	33%	0.331	C	S	.	.	S	Bend	trans	-62.1	126	170.8	-64.5	-8.4	0	0	0	108.9	V299 K300 S313 N315 T327	Y291-V299 WeakPolarHBondContact CA-O 3.37Å; Y291-K300 HydrophobicContact CD1-CB 3.86Å; Y291-K300 HydrophobicContact CD1-CG 3.82Å; Y291-K300 HydrophobicContact CD2-CD 4.35Å; Y291-K300 HydrophobicContact CD2-CG 4.14Å; Y291-K300 HydrophobicContact CE1-CB 3.65Å; Y291-K300 HydrophobicContact CE1-CD 4.38Å; Y291-K300 HydrophobicContact CE1-CG 3.87Å; Y291-K300 HydrophobicContact CE2-CD 4.04Å; Y291-K300 HydrophobicContact CE2-CG 4.18Å; Y291-K300 HydrophobicContact CG-CG 3.97Å; Y291-S313 PolarHBondContact OH-OG 3.09Å; Y291-N315 PolarHBondContact OH-ND2 3.43Å; Y291-T327 HydrophobicContact CD2-CG2 3.84Å; Y291-T327 HydrophobicContact CE2-CG2 3.67Å; Y291-T327 PolarHBondContact N-O 2.8Å
292	H	91.4	Very high	92.9	Very high	54 Å²	54	61.1 Å²	61.1	25%	0.25	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.8	-178.4	61	-82.4	0	0	0	109.8	Q289 G290 V299	Q289-H292 PolarHBondContact OE1-CE1 2.81Å; Q289-H292 VanDerWaalsContact OE1-CE1 3.32Å; G290-H292 PolarHBondContact O-N 2.71Å; G290-H292 PolarHBondContact O-ND1 3.1Å; H292-V299 PolarHBondContact N-O 2.75Å; H292-V299 WeakPolarHBondContact O-CB 3.45Å; H292-V299 PolarHBondContact O-N 3.26Å
293	T	90.9	Very high	92.7	Very high	101 Å²	101	59.5 Å²	59.5	62%	0.62	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.3	176.9	-52.6	0	0	0	0	108.7	K297	T293-K297 WeakPolarHBondContact CA-O 3.47Å
294	K	86.5	Confident	92.5	Very high	130 Å²	130	60.2 Å²	60.2	57%	0.565	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.5	170.7	-167.8	-176.2	174.2	-178.1	0	107.4	G296 K297 V299	K294-G296 PolarHBondContact O-N 2.67Å; K294-K297 PolarHBondContact N-O 3.39Å; K294-K297 PolarHBondContact O-N 2.82Å; K294-K297 VanDerWaalsContact O-O 3.14Å; K294-V299 HydrophobicContact CB-CG2 3.83Å
295	D	85.7	Confident	92.3	Very high	148 Å²	148	61 Å²	61	79%	0.791	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	40.4	-180	-46.4	-41.1	0	0	0	113.1	K297	D295-K297 PolarHBondContact O-N 2.46Å; D295-K297 VanDerWaalsContact O-N 3.12Å
296	G	85.5	Confident	92	Very high	73 Å²	73	68.7 Å²	68.7	75%	0.753	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-5.3	-177.6	0	0	0	0	0	115.4	K294	K294-G296 PolarHBondContact O-N 2.67Å
297	K	87.8	Confident	91.8	Very high	163 Å²	163	72.4 Å²	72.4	71%	0.709	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.4	179.8	-66	179.5	-177.7	175.4	0	111.3	T293 K294 D295 V299	T293-K297 WeakPolarHBondContact CA-O 3.47Å; K294-K297 PolarHBondContact N-O 3.39Å; K294-K297 PolarHBondContact O-N 2.82Å; K294-K297 VanDerWaalsContact O-O 3.14Å; D295-K297 PolarHBondContact O-N 2.46Å; D295-K297 VanDerWaalsContact O-N 3.12Å; K297-V299 PolarHBondContact O-N 2.82Å
298	L	89.4	Confident	91.6	Very high	96 Å²	96	71.6 Å²	71.6	50%	0.503	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.3	177.2	-175.8	59.9	0	0	0	110.2	K300	L298-K300 HydrophobicContact CD2-CD 4.45Å; L298-K300 HydrophobicContact CD2-CG 4.49Å; L298-K300 HydrophobicContact CG-CG 4.1Å
299	V	89.9	Confident	91.4	Very high	34 Å²	34	78.6 Å²	78.6	21%	0.206	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117	178.5	-178	0	0	0	0	109.2	Y291 H292 K294 K297 N301	Y291-V299 WeakPolarHBondContact CA-O 3.37Å; H292-V299 PolarHBondContact N-O 2.75Å; H292-V299 WeakPolarHBondContact O-CB 3.45Å; H292-V299 PolarHBondContact O-N 3.26Å; K294-V299 HydrophobicContact CB-CG2 3.83Å; K297-V299 PolarHBondContact O-N 2.82Å; V299-N301 WeakPolarHBondContact CG1-OD1 3.44Å
300	K	90.3	Very high	91.2	Very high	97 Å²	97	76.1 Å²	76.1	42%	0.422	40%	0.395	S	S	.	.			trans	-117.1	1.9	-179.6	-59.1	-177.3	-176.3	173.9	0	113.5	Y291 L298 N302 S313	Y291-K300 HydrophobicContact CD1-CB 3.86Å; Y291-K300 HydrophobicContact CD1-CG 3.82Å; Y291-K300 HydrophobicContact CD2-CD 4.35Å; Y291-K300 HydrophobicContact CD2-CG 4.14Å; Y291-K300 HydrophobicContact CE1-CB 3.65Å; Y291-K300 HydrophobicContact CE1-CD 4.38Å; Y291-K300 HydrophobicContact CE1-CG 3.87Å; Y291-K300 HydrophobicContact CE2-CD 4.04Å; Y291-K300 HydrophobicContact CE2-CG 4.18Å; Y291-K300 HydrophobicContact CG-CG 3.97Å; L298-K300 HydrophobicContact CD2-CD 4.45Å; L298-K300 HydrophobicContact CD2-CG 4.49Å; L298-K300 HydrophobicContact CG-CG 4.1Å; K300-N302 PolarHBondContact O-N 2.83Å; K300-S313 WeakPolarHBondContact O-CA 3.46Å; K300-S313 WeakPolarHBondContact O-CB 3.25Å
301	N	89.1	Confident	91.1	Very high	69 Å²	69	81.6 Å²	81.6	37%	0.369	42%	0.423	S	S	.	.			trans	-80	36.5	-163.6	75.2	-27.2	0	0	0	113.8	V299 A303 S304 N311 K312	V299-N301 WeakPolarHBondContact CG1-OD1 3.44Å; N301-A303 PolarHBondContact O-N 2.83Å; N301-S304 WeakPolarHBondContact CB-OG 3.47Å; N301-S304 WeakPolarHBondContact O-CB 3.47Å; N301-S304 PolarHBondContact O-N 2.76Å; N301-S304 VanDerWaalsContact O-N 3.13Å; N301-S304 PolarHBondContact O-OG 3.36Å; N301-N311 WeakPolarHBondContact CB-OD1 3.34Å; N301-K312 CarbonylContact C-O 3.53Å; N301-K312 VanDerWaalsContact CA-O 3.31Å; N301-K312 WeakPolarHBondContact CA-O 3.41Å
302	N	92.3	Very high	91.1	Very high	14 Å²	14	79.5 Å²	79.5	8%	0.075	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.2	-170.8	62	13	0	0	0	115.3	K286 Q289 K300 K312 S313 I314 F330	K286-N302 WeakPolarHBondContact CE-O 3.41Å; Q289-N302 VanDerWaalsContact O-CB 3.22Å; Q289-N302 WeakPolarHBondContact O-CB 3.23Å; Q289-N302 PolarHBondContact O-ND2 2.71Å; K300-N302 PolarHBondContact O-N 2.83Å; N302-K312 PolarHBondContact N-O 2.89Å; N302-S313 VanDerWaalsContact OD1-CA 3.27Å; N302-S313 WeakPolarHBondContact OD1-CA 3.5Å; N302-I314 PolarHBondContact OD1-N 3.12Å; N302-F330 HydrophobicContact CB-CE1 4.05Å
303	A	94.4	Very high	91.3	Very high	0 Å²	0	78 Å²	78	0%	0	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	8.5	168.7	0	0	0	0	0	114	N301 K312 S313 I314 I368 T370	N301-A303 PolarHBondContact O-N 2.83Å; A303-K312 HydrophobicContact CB-CG 4.28Å; A303-K312 PolarHBondContact N-O 2.86Å; A303-K312 VanDerWaalsContact N-O 3.07Å; A303-S313 VanDerWaalsContact CB-C 3.45Å; A303-I314 HydrophobicContact CB-CB 4.25Å; A303-I314 HydrophobicContact CB-CD1 4.15Å; A303-I368 HydrophobicContact CB-CB 4.3Å; A303-I368 HydrophobicContact CB-CD1 4.19Å; A303-I368 HydrophobicContact CB-CG2 4.12Å; A303-T370 HydrophobicContact CB-CG2 4.21Å
304	S	93.4	Very high	91.6	Very high	20 Å²	20	73.3 Å²	73.3	14%	0.14	38%	0.382	C	S	.	.			trans	-71.5	151.6	167.5	-30.1	0	0	0	0	109.5	N301 T310	N301-S304 WeakPolarHBondContact CB-OG 3.47Å; N301-S304 WeakPolarHBondContact O-CB 3.47Å; N301-S304 PolarHBondContact O-N 2.76Å; N301-S304 VanDerWaalsContact O-N 3.13Å; N301-S304 PolarHBondContact O-OG 3.36Å; S304-T310 PolarHBondContact OG-O 2.86Å; S304-T310 VanDerWaalsContact OG-O 3.12Å
305	T	94.1	Very high	92.2	Very high	17 Å²	17	67.9 Å²	67.9	10%	0.104	36%	0.359	C	S	.	.			trans	-130.3	174.9	177.2	69.7	0	0	0	0	109.6	Y307 D308 L365 K366 I368	T305-Y307 PolarHBondContact O-N 2.67Å; T305-Y307 PolarHBondContact OG1-N 3.33Å; T305-D308 PolarHBondContact N-O 3.05Å; T305-D308 CarbonylContact O-C 3.5Å; T305-D308 PolarHBondContact O-N 2.95Å; T305-D308 WeakPolarHBondContact OG1-CB 3.34Å; T305-D308 PolarHBondContact OG1-N 2.83Å; T305-L365 VanDerWaalsContact CB-O 3.25Å; T305-L365 WeakPolarHBondContact CB-O 3.43Å; T305-L365 HydrophobicContact CG2-CB 4.2Å; T305-L365 WeakPolarHBondContact CG2-O 3.31Å; T305-K366 PolarHBondContact OG1-O 3.12Å; T305-I368 HydrophobicContact CG2-CD1 4.13Å; T305-I368 HydrophobicContact CG2-CG1 4.21Å
306	E	92.9	Very high	92.8	Very high	163 Å²	163	61.1 Å²	61.1	76%	0.762	32%	0.323	S	S	*	.	S	Bend	trans	-65.7	-28.1	177.3	-64.6	-179.6	-174.3	0	0	112.2
307	Y	94.8	Very high	93.3	Very high	131 Å²	131	59 Å²	59	51%	0.514	30%	0.295	S	S	.	.	S	Bend	trans	-93.6	-23.2	-179.9	-57.1	-94.6	0	0	0	113.1	T305 D364 K366	T305-Y307 PolarHBondContact O-N 2.67Å; T305-Y307 PolarHBondContact OG1-N 3.33Å; Y307-D364 VanDerWaalsContact CE2-OD2 3.28Å; Y307-D364 WeakPolarHBondContact CE2-OD2 3.43Å; Y307-D364 PolarHBondContact OH-OD2 2.94Å; Y307-D364 VanDerWaalsContact OH-OD2 3.09Å; Y307-K366 HydrophobicContact CD1-CG 4.41Å; Y307-K366 HydrophobicContact CD2-CB 4.17Å; Y307-K366 HydrophobicContact CD2-CG 3.77Å; Y307-K366 HydrophobicContact CE2-CG 3.93Å; Y307-K366 HydrophobicContact CG-CB 4.28Å; Y307-K366 HydrophobicContact CG-CG 4.02Å
308	D	92.6	Very high	93.7	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.112	30%	0.304	C	S	.	.			trans	-120.2	94.1	179.1	-178.8	4.8	0	0	0	109.6	T305 T310 K312 F367	T305-D308 PolarHBondContact N-O 3.05Å; T305-D308 CarbonylContact O-C 3.5Å; T305-D308 PolarHBondContact O-N 2.95Å; T305-D308 WeakPolarHBondContact OG1-CB 3.34Å; T305-D308 PolarHBondContact OG1-N 2.83Å; D308-T310 PolarHBondContact O-N 2.74Å; D308-T310 WeakPolarHBondContact OD1-CB 3.11Å; D308-T310 PolarHBondContact OD1-N 2.94Å; D308-T310 VanDerWaalsContact OD1-N 3.11Å; D308-T310 PolarHBondContact OD1-OG1 2.92Å; D308-K312 WeakPolarHBondContact OD2-CE 3.47Å; D308-K312 IonicContact OD2-NZ 2.97Å; D308-K312 PolarHBondContact OD2-NZ 3.01Å; D308-F367 WeakPolarHBondContact OD2-CD2 3.48Å
309	L	92.2	Very high	94.1	Very high	150 Å²	150	51.2 Å²	51.2	79%	0.785	28%	0.283	S	S	*	.			trans	-76.6	0.6	-178.7	-56.8	178.6	0	0	0	113.2	N311	L309-N311 PolarHBondContact O-N 2.94Å
310	T	92.3	Very high	94.5	Very high	57 Å²	57	50 Å²	50	35%	0.35	28%	0.275	S	S	.	.			trans	-58.3	124.2	178.4	-53	0	0	0	0	109.8	S304 D308 K312 T381	S304-T310 PolarHBondContact OG-O 2.86Å; S304-T310 VanDerWaalsContact OG-O 3.12Å; D308-T310 PolarHBondContact O-N 2.74Å; D308-T310 WeakPolarHBondContact OD1-CB 3.11Å; D308-T310 PolarHBondContact OD1-N 2.94Å; D308-T310 VanDerWaalsContact OD1-N 3.11Å; D308-T310 PolarHBondContact OD1-OG1 2.92Å; T310-K312 VanDerWaalsContact C-N 3.34Å; T310-K312 HydrophobicContact CG2-CB 4.4Å; T310-K312 HydrophobicContact CG2-CD 4.25Å; T310-K312 HydrophobicContact CG2-CG 4.42Å; T310-K312 PolarHBondContact O-N 2.79Å; T310-T381 HydrophobicContact CG2-CG2 3.56Å
311	N	91.9	Very high	94.9	Very high	122 Å²	122	46.5 Å²	46.5	65%	0.652	26%	0.262	S	S	*	.			trans	-72	87.7	177.1	-175.7	-2.4	0	0	0	110.6	N301 L309	N301-N311 WeakPolarHBondContact CB-OD1 3.34Å; L309-N311 PolarHBondContact O-N 2.94Å
312	K	94.7	Very high	95.3	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.039	28%	0.278	C	S	.	.			trans	-133.9	145.7	-178.2	63.5	-176.5	172.7	178.1	0	113	N301 N302 A303 D308 T310 I368 T370 T381	N301-K312 CarbonylContact C-O 3.53Å; N301-K312 VanDerWaalsContact CA-O 3.31Å; N301-K312 WeakPolarHBondContact CA-O 3.41Å; N302-K312 PolarHBondContact N-O 2.89Å; A303-K312 HydrophobicContact CB-CG 4.28Å; A303-K312 PolarHBondContact N-O 2.86Å; A303-K312 VanDerWaalsContact N-O 3.07Å; D308-K312 WeakPolarHBondContact OD2-CE 3.47Å; D308-K312 IonicContact OD2-NZ 2.97Å; D308-K312 PolarHBondContact OD2-NZ 3.01Å; T310-K312 VanDerWaalsContact C-N 3.34Å; T310-K312 HydrophobicContact CG2-CB 4.4Å; T310-K312 HydrophobicContact CG2-CD 4.25Å; T310-K312 HydrophobicContact CG2-CG 4.42Å; T310-K312 PolarHBondContact O-N 2.79Å; K312-I368 PolarHBondContact NZ-O 3.21Å; K312-T370 HydrophobicContact CD-CG2 3.97Å; K312-T370 HydrophobicContact CG-CG2 4.44Å; K312-T381 HydrophobicContact CB-CG2 4.04Å
313	S	96.6	Very high	95.6	Very high	23 Å²	23	49.9 Å²	49.9	16%	0.161	28%	0.275	C	S	.	.			trans	-85.9	163.7	171.6	80.2	0	0	0	0	111.4	Y291 K300 N302 A303 N315 T370	Y291-S313 PolarHBondContact OH-OG 3.09Å; K300-S313 WeakPolarHBondContact O-CA 3.46Å; K300-S313 WeakPolarHBondContact O-CB 3.25Å; N302-S313 VanDerWaalsContact OD1-CA 3.27Å; N302-S313 WeakPolarHBondContact OD1-CA 3.5Å; A303-S313 VanDerWaalsContact CB-C 3.45Å; S313-N315 PolarHBondContact O-N 3.17Å; S313-N315 VanDerWaalsContact O-N 3.07Å; S313-N315 WeakPolarHBondContact OG-CB 3.33Å; S313-N315 PolarHBondContact OG-N 3.17Å; S313-N315 PolarHBondContact OG-ND2 3.22Å; S313-T370 VanDerWaalsContact O-CG2 3.28Å; S313-T370 WeakPolarHBondContact O-CG2 3.36Å
314	I	97.9	Very high	95.7	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	29%	0.289	C	S	.	.	S	Bend	trans	-62.9	-13.3	174.1	-164.6	57.5	0	0	0	113.3	I78 N302 A303 P316 F320 V326 F330 M332 I368	I78-I314 HydrophobicContact CD1-CD1 3.89Å; I78-I314 HydrophobicContact CD1-CG1 3.95Å; I78-I314 HydrophobicContact CG1-CD1 4.33Å; I78-I314 HydrophobicContact CG1-CG1 4.03Å; I78-I314 HydrophobicContact CG2-CG1 4.27Å; N302-I314 PolarHBondContact OD1-N 3.12Å; A303-I314 HydrophobicContact CB-CB 4.25Å; A303-I314 HydrophobicContact CB-CD1 4.15Å; I314-P316 WeakPolarHBondContact O-CD 3.19Å; I314-F320 WeakPolarHBondContact O-CE2 3.27Å; I314-F320 WeakPolarHBondContact O-CZ 3.18Å; I314-V326 HydrophobicContact CG2-CB 4.07Å; I314-V326 HydrophobicContact CG2-CG1 4.07Å; I314-F330 HydrophobicContact CB-CE1 3.9Å; I314-F330 HydrophobicContact CB-CE2 4.4Å; I314-F330 HydrophobicContact CB-CZ 3.77Å; I314-F330 HydrophobicContact CD1-CE2 4.23Å; I314-F330 HydrophobicContact CD1-CZ 4.19Å; I314-F330 HydrophobicContact CG1-CD2 4.46Å; I314-F330 HydrophobicContact CG1-CE1 4.25Å; I314-F330 HydrophobicContact CG1-CE2 3.87Å; I314-F330 HydrophobicContact CG1-CZ 3.74Å; I314-F330 HydrophobicContact CG2-CD1 4.01Å; I314-F330 HydrophobicContact CG2-CE1 3.68Å; I314-F330 HydrophobicContact CG2-CZ 4.05Å; I314-M332 HydrophobicContact CD1-CE 3.85Å; I314-I368 HydrophobicContact CD1-CG2 3.69Å
315	N	98.1	Very high	95.9	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.08	31%	0.306	C	S	.	.	S	Bend	trans	-73.8	122.5	178	-63.8	-60.8	0	0	0	110.3	Y291 S313 E325 V326	Y291-N315 PolarHBondContact OH-ND2 3.43Å; S313-N315 PolarHBondContact O-N 3.17Å; S313-N315 VanDerWaalsContact O-N 3.07Å; S313-N315 WeakPolarHBondContact OG-CB 3.33Å; S313-N315 PolarHBondContact OG-N 3.17Å; S313-N315 PolarHBondContact OG-ND2 3.22Å; N315-E325 WeakPolarHBondContact OD1-CA 3.33Å; N315-V326 PolarHBondContact ND2-O 3.32Å; N315-V326 PolarHBondContact OD1-N 2.91Å
316	P	97.9	Very high	96.1	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.039	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.5	163	173	27.8	-32.7	0	0	0	110.9	I314 G318 G319 F320 T370 T371 K373	I314-P316 WeakPolarHBondContact O-CD 3.19Å; P316-G318 PolarHBondContact O-N 3.12Å; P316-G318 VanDerWaalsContact O-N 3.13Å; P316-G319 WeakPolarHBondContact O-CA 3.39Å; P316-G319 PolarHBondContact O-N 2.77Å; P316-F320 HydrophobicContact CG-CD1 4.12Å; P316-F320 HydrophobicContact CG-CE1 4.23Å; P316-F320 HydrophobicContact CG-CG 4.31Å; P316-T370 CarbonylContact C-O 3.55Å; P316-T370 WeakPolarHBondContact CA-O 3.38Å; P316-T371 WeakPolarHBondContact CB-O 3.47Å; P316-K373 HydrophobicContact CB-CG 4.09Å; P316-K373 HydrophobicContact CG-CG 4.13Å
317	L	97.6	Very high	96.4	Very high	30 Å²	30	49.1 Å²	49.1	16%	0.157	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	120.4	175.2	-67.4	-174.7	0	0	0	112	T370 S372 F379 L382	L317-T370 PolarHBondContact N-O 3.45Å; L317-S372 WeakPolarHBondContact O-CA 3.16Å; L317-S372 VanDerWaalsContact O-CB 3.28Å; L317-S372 WeakPolarHBondContact O-CB 3.28Å; L317-S372 PolarHBondContact O-OG 3.1Å; L317-F379 HydrophobicContact CD1-CB 4.17Å; L317-F379 VanDerWaalsContact CD1-O 3.26Å; L317-F379 WeakPolarHBondContact CD1-O 3.24Å; L317-L382 HydrophobicContact CD2-CD2 3.83Å; L317-L382 HydrophobicContact CD2-CG 3.73Å
318	G	96.1	Very high	96.5	Very high	87 Å²	87	43.9 Å²	43.9	90%	0.897	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	7.6	-173.8	0	0	0	0	0	114.9	P316	P316-G318 PolarHBondContact O-N 3.12Å; P316-G318 VanDerWaalsContact O-N 3.13Å
319	G	97.6	Very high	96.8	Very high	7 Å²	7	44.3 Å²	44.3	7%	0.072	26%	0.262	C	S	.	.			trans	76.9	174.2	-179.8	0	0	0	0	0	113.9	P316 V321	P316-G319 WeakPolarHBondContact O-CA 3.39Å; P316-G319 PolarHBondContact O-N 2.77Å; G319-V321 PolarHBondContact O-N 2.99Å
320	F	98.3	Very high	97.1	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-69.9	117.3	176	-80.2	-76.6	0	0	0	110.5	A51 I78 I314 P316 H322 Y323 G324 V326	A51-F320 HydrophobicContact CB-CD2 4.35Å; A51-F320 HydrophobicContact CB-CG 4.49Å; I78-F320 HydrophobicContact CB-CZ 4.11Å; I78-F320 HydrophobicContact CG1-CE1 4.34Å; I78-F320 HydrophobicContact CG1-CZ 3.76Å; I78-F320 HydrophobicContact CG2-CZ 4.44Å; I314-F320 WeakPolarHBondContact O-CE2 3.27Å; I314-F320 WeakPolarHBondContact O-CZ 3.18Å; P316-F320 HydrophobicContact CG-CD1 4.12Å; P316-F320 HydrophobicContact CG-CE1 4.23Å; P316-F320 HydrophobicContact CG-CG 4.31Å; F320-H322 PolarHBondContact O-N 2.88Å; F320-Y323 HydrophobicContact CB-CD1 4.35Å; F320-Y323 HydrophobicContact CB-CG 4.44Å; F320-Y323 WeakPolarHBondContact O-CA 3.41Å; F320-Y323 WeakPolarHBondContact O-CB 3.44Å; F320-Y323 PolarHBondContact O-N 3.19Å; F320-G324 WeakPolarHBondContact CB-O 2.96Å; F320-G324 PolarHBondContact N-O 2.86Å; F320-G324 PolarHBondContact O-N 2.97Å; F320-V326 HydrophobicContact CD2-CG2 3.78Å; F320-V326 HydrophobicContact CE2-CG2 3.86Å
321	V	98.1	Very high	97.4	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.145	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	125.6	-177.7	179.8	0	0	0	0	111.9	G319 Y323 K341 K373 F374	G319-V321 PolarHBondContact O-N 2.99Å; V321-Y323 PolarHBondContact O-N 3.06Å; V321-K341 WeakPolarHBondContact O-CD 3.3Å; V321-K341 WeakPolarHBondContact O-CE 3.46Å; V321-K341 PolarHBondContact O-NZ 3.19Å; V321-K373 HydrophobicContact CG2-CB 4.22Å; V321-K373 WeakPolarHBondContact CG2-O 3.43Å; V321-F374 HydrophobicContact CG1-CD2 4.07Å; V321-F374 HydrophobicContact CG2-CB 3.78Å; V321-F374 HydrophobicContact CG2-CD2 4.15Å; V321-F374 HydrophobicContact CG2-CG 4.45Å
322	H	97.8	Very high	97.7	Very high	150 Å²	150	28.7 Å²	28.7	69%	0.694	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	10.7	-175	-53.1	-55	0	0	0	115.9	F320 K341 K342	F320-H322 PolarHBondContact O-N 2.88Å; H322-K341 HydrophobicContact CB-CD 4.39Å; H322-K342 VanDerWaalsContact O-CD 3.23Å; H322-K342 WeakPolarHBondContact O-CD 3.44Å; H322-K342 WeakPolarHBondContact O-CE 3.22Å; H322-K342 PolarHBondContact O-NZ 2.77Å
323	Y	98.3	Very high	97.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.016	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-63.6	172.2	-172.9	-99.9	0	0	0	111	A51 E80 P172 L173 F320 V321 V326 K342	A51-Y323 VanDerWaalsContact CA-CD2 3.49Å; A51-Y323 HydrophobicContact CB-CD1 3.7Å; A51-Y323 HydrophobicContact CB-CD2 4.17Å; A51-Y323 HydrophobicContact CB-CE1 3.64Å; A51-Y323 HydrophobicContact CB-CE2 4.11Å; A51-Y323 HydrophobicContact CB-CG 3.96Å; A51-Y323 WeakPolarHBondContact O-CB 3.46Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.48Å; E80-Y323 VanDerWaalsContact OE2-CZ 3.23Å; E80-Y323 PolarHBondContact OE2-OH 2.86Å; P172-Y323 HydrophobicContact CG-CD1 4.23Å; P172-Y323 HydrophobicContact CG-CE1 3.89Å; L173-Y323 HydrophobicContact CD2-CD2 4.42Å; L173-Y323 HydrophobicContact CD2-CE2 4.13Å; F320-Y323 HydrophobicContact CB-CD1 4.35Å; F320-Y323 HydrophobicContact CB-CG 4.44Å; F320-Y323 WeakPolarHBondContact O-CA 3.41Å; F320-Y323 WeakPolarHBondContact O-CB 3.44Å; F320-Y323 PolarHBondContact O-N 3.19Å; V321-Y323 PolarHBondContact O-N 3.06Å; Y323-V326 HydrophobicContact CD1-CG2 4.3Å; Y323-V326 HydrophobicContact CE1-CG2 3.91Å; Y323-K342 HydrophobicContact CD2-CB 4.33Å; Y323-K342 HydrophobicContact CD2-CG 3.58Å; Y323-K342 HydrophobicContact CE2-CG 4.19Å; Y323-K342 VanDerWaalsContact O-CE 3.25Å; Y323-K342 WeakPolarHBondContact O-CE 3.35Å
324	G	97.3	Very high	98	Very high	28 Å²	28	29 Å²	29	29%	0.289	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	124.7	-156.1	-167.2	0	0	0	0	0	110.3	F320	F320-G324 WeakPolarHBondContact CB-O 2.96Å; F320-G324 PolarHBondContact N-O 2.86Å; F320-G324 PolarHBondContact O-N 2.97Å
325	E	97.6	Very high	98	Very high	109 Å²	109	29.8 Å²	29.8	51%	0.509	19%	0.185	S	C	.	.			trans	-94.1	141	175	-61.1	-173.9	163.7	0	0	111.1	P172 N315 T327	P172-E325 WeakPolarHBondContact CG-O 3.48Å; N315-E325 WeakPolarHBondContact OD1-CA 3.33Å; E325-T327 HydrophobicContact CB-CG2 4.23Å
326	V	98.3	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.206	C	C	.	.			trans	-89.6	110.5	169	175.9	0	0	0	0	107	A51 I78 E80 I314 N315 F320 Y323 F330	A51-V326 HydrophobicContact CB-CG2 3.55Å; I78-V326 HydrophobicContact CG2-CG2 4.41Å; E80-V326 HydrophobicContact CB-CG1 4.13Å; E80-V326 HydrophobicContact CB-CG2 4.41Å; E80-V326 HydrophobicContact CG-CG1 3.92Å; I314-V326 HydrophobicContact CG2-CB 4.07Å; I314-V326 HydrophobicContact CG2-CG1 4.07Å; N315-V326 PolarHBondContact ND2-O 3.32Å; N315-V326 PolarHBondContact OD1-N 2.91Å; F320-V326 HydrophobicContact CD2-CG2 3.78Å; F320-V326 HydrophobicContact CE2-CG2 3.86Å; Y323-V326 HydrophobicContact CD1-CG2 4.3Å; Y323-V326 HydrophobicContact CE1-CG2 3.91Å; V326-F330 HydrophobicContact CG1-CB 4.07Å; V326-F330 HydrophobicContact CG1-CD1 4.13Å; V326-F330 HydrophobicContact CG1-CG 4.38Å
327	T	97.4	Very high	98.1	Very high	47 Å²	47	32.8 Å²	32.8	29%	0.288	21%	0.206	S	C	.	.			trans	-114.8	-14.4	-178.6	60.1	0	0	0	0	112.2	E80 G290 Y291 E325	E80-T327 PolarHBondContact OE1-N 3.04Å; E80-T327 VanDerWaalsContact OE1-N 3.12Å; G290-T327 CarbonylContact C-O 3.41Å; G290-T327 VanDerWaalsContact CA-O 3.27Å; G290-T327 WeakPolarHBondContact CA-O 3.46Å; Y291-T327 HydrophobicContact CD2-CG2 3.84Å; Y291-T327 HydrophobicContact CE2-CG2 3.67Å; Y291-T327 PolarHBondContact N-O 2.8Å; E325-T327 HydrophobicContact CB-CG2 4.23Å
328	N	97.9	Very high	98.1	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.112	20%	0.202	C	C	.	.	S	Bend	trans	-96.1	175.9	176.8	-55	-82.5	0	0	0	111.5	E80 P82 L170	E80-N328 HydrophobicContact CG-CB 4Å; E80-N328 PolarHBondContact OE1-N 2.78Å; E80-N328 VanDerWaalsContact OE1-N 3.12Å; E80-N328 PolarHBondContact OE1-ND2 2.96Å; P82-N328 HydrophobicContact CB-CB 4.17Å; L170-N328 WeakPolarHBondContact CB-OD1 3.43Å; L170-N328 PolarHBondContact O-ND2 2.51Å
329	D	98.3	Very high	98.2	Very high	31 Å²	31	28.3 Å²	28.3	17%	0.166	16%	0.164	C	C	.	.			trans	-51.7	145.5	169.9	-61.7	-15	0	0	0	110.7	T81 V207 G288 Q289 G290	T81-D329 CarbonylContact C-O 3.56Å; T81-D329 WeakPolarHBondContact CA-O 3.25Å; T81-D329 PolarHBondContact N-O 2.79Å; T81-D329 PolarHBondContact OG1-O 2.83Å; T81-D329 VanDerWaalsContact OG1-O 3.05Å; V207-D329 HydrophobicContact CG1-CB 4.13Å; G288-D329 CarbonylContact O-C 3.52Å; G288-D329 VanDerWaalsContact O-CA 3.25Å; G288-D329 WeakPolarHBondContact O-CA 3.27Å; Q289-D329 WeakPolarHBondContact CA-OD1 3.44Å; G290-D329 PolarHBondContact N-OD1 3.12Å
330	F	98.7	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.6	178.7	66.9	-89.7	0	0	0	111.9	I78 V79 T81 G288 N302 I314 V326 M332	I78-F330 HydrophobicContact CD1-CD2 4.41Å; I78-F330 HydrophobicContact CD1-CE2 4.41Å; I78-F330 HydrophobicContact CG2-CB 4.03Å; I78-F330 HydrophobicContact CG2-CD2 3.88Å; I78-F330 HydrophobicContact CG2-CG 4.07Å; V79-F330 CarbonylContact O-C 3.55Å; V79-F330 VanDerWaalsContact O-CA 3.27Å; V79-F330 WeakPolarHBondContact O-CA 3.03Å; V79-F330 WeakPolarHBondContact O-CB 3.49Å; T81-F330 WeakPolarHBondContact OG1-CA 3.41Å; G288-F330 PolarHBondContact N-O 3.12Å; G288-F330 PolarHBondContact O-N 3Å; N302-F330 HydrophobicContact CB-CE1 4.05Å; I314-F330 HydrophobicContact CB-CE1 3.9Å; I314-F330 HydrophobicContact CB-CE2 4.4Å; I314-F330 HydrophobicContact CB-CZ 3.77Å; I314-F330 HydrophobicContact CD1-CE2 4.23Å; I314-F330 HydrophobicContact CD1-CZ 4.19Å; I314-F330 HydrophobicContact CG1-CD2 4.46Å; I314-F330 HydrophobicContact CG1-CE1 4.25Å; I314-F330 HydrophobicContact CG1-CE2 3.87Å; I314-F330 HydrophobicContact CG1-CZ 3.74Å; I314-F330 HydrophobicContact CG2-CD1 4.01Å; I314-F330 HydrophobicContact CG2-CE1 3.68Å; I314-F330 HydrophobicContact CG2-CZ 4.05Å; V326-F330 HydrophobicContact CG1-CB 4.07Å; V326-F330 HydrophobicContact CG1-CD1 4.13Å; V326-F330 HydrophobicContact CG1-CG 4.38Å; F330-M332 HydrophobicContact CE2-CB 4.34Å
331	V	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.9	170	-175.1	0	0	0	0	108.4	V79 T81 V207 I284 V333 L347	V79-V331 PolarHBondContact N-O 3.22Å; V79-V331 PolarHBondContact O-N 2.76Å; T81-V331 HydrophobicContact CG2-CG2 4.04Å; V207-V331 HydrophobicContact CG1-CG2 4.34Å; V207-V331 HydrophobicContact CG2-CG2 3.62Å; I284-V331 HydrophobicContact CB-CG1 4.39Å; I284-V331 HydrophobicContact CD1-CG1 3.99Å; I284-V331 HydrophobicContact CG1-CG1 3.78Å; I284-V331 HydrophobicContact CG2-CG1 3.92Å; V331-V333 HydrophobicContact CB-CG2 4.45Å; V331-V333 HydrophobicContact CG1-CG2 3.7Å; V331-L347 HydrophobicContact CB-CD1 4.48Å; V331-L347 HydrophobicContact CG2-CD1 4.22Å
332	M	98.8	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.9	169.1	-177.7	-174.7	-70.6	0	0	108.7	I56 V76 I78 Y285 K286 I314 F330 L365 I368	I56-M332 HydrophobicContact CG2-CE 4.07Å; I56-M332 HydrophobicContact CG2-SD 3.79Å; V76-M332 HydrophobicContact CB-CG 3.63Å; V76-M332 HydrophobicContact CB-SD 4.14Å; V76-M332 HydrophobicContact CG1-CG 3.9Å; V76-M332 HydrophobicContact CG1-SD 3.99Å; V76-M332 HydrophobicContact CG2-CE 4.33Å; V76-M332 HydrophobicContact CG2-CG 3.81Å; V76-M332 HydrophobicContact CG2-SD 3.91Å; I78-M332 HydrophobicContact CD1-CB 3.99Å; I78-M332 HydrophobicContact CD1-CE 3.86Å; I78-M332 HydrophobicContact CD1-CG 3.82Å; Y285-M332 PolarHBondContact N-O 3.13Å; K286-M332 HydrophobicContact CB-CB 3.93Å; K286-M332 HydrophobicContact CB-SD 4.3Å; K286-M332 PolarHBondContact O-N 3.04Å; I314-M332 HydrophobicContact CD1-CE 3.85Å; F330-M332 HydrophobicContact CE2-CB 4.34Å; M332-L365 HydrophobicContact SD-CD1 3.94Å; M332-I368 HydrophobicContact CE-CD1 3.85Å; M332-I368 HydrophobicContact CE-CG1 4.19Å; M332-I368 HydrophobicContact CE-CG2 4.2Å
333	V	98.6	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.2	-175.9	-178.2	0	0	0	0	110.1	V76 T77 V79 I217 K282 V331 G335 V337	V76-V333 CarbonylContact C-O 3.59Å; V76-V333 WeakPolarHBondContact CA-O 3.07Å; T77-V333 PolarHBondContact N-O 2.78Å; T77-V333 PolarHBondContact O-N 2.82Å; V79-V333 HydrophobicContact CG2-CG2 4.45Å; I217-V333 HydrophobicContact CD1-CG2 4.39Å; K282-V333 HydrophobicContact CB-CG1 3.52Å; K282-V333 HydrophobicContact CD-CG1 4.46Å; K282-V333 HydrophobicContact CG-CG1 4.28Å; V331-V333 HydrophobicContact CB-CG2 4.45Å; V331-V333 HydrophobicContact CG1-CG2 3.7Å; V333-G335 PolarHBondContact O-N 3.09Å; V333-V337 HydrophobicContact CG1-CG1 4.11Å
334	K	98.6	Very high	98.3	Very high	38 Å²	38	30.7 Å²	30.7	17%	0.165	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	129.6	175.9	-172.7	-173.7	-173.9	130.5	0	112.1	E74 K283 Y285	E74-K334 WeakPolarHBondContact OE1-CE 3.25Å; E74-K334 IonicContact OE1-NZ 3.66Å; E74-K334 PolarHBondContact OE1-NZ 2.8Å; E74-K334 IonicContact OE2-NZ 3.75Å; E74-K334 PolarHBondContact OE2-NZ 2.81Å; K283-K334 HydrophobicContact CB-CB 4.32Å; K283-K334 PolarHBondContact O-N 3.23Å; Y285-K334 HydrophobicContact CD1-CB 4.07Å; Y285-K334 HydrophobicContact CE1-CB 3.64Å; Y285-K334 HydrophobicContact CE1-CD 3.96Å; Y285-K334 HydrophobicContact CE1-CG 3.96Å; Y285-K334 HydrophobicContact CE2-CB 4.39Å; Y285-K334 HydrophobicContact CE2-CG 4.25Å; Y285-K334 WeakPolarHBondContact OH-CD 3.43Å; Y285-K334 VanDerWaalsContact OH-CE 3.3Å; Y285-K334 WeakPolarHBondContact OH-CE 3.28Å; Y285-K334 PolarHBondContact OH-NZ 2.82Å
335	G	98.4	Very high	98.3	Very high	21 Å²	21	29.3 Å²	29.3	22%	0.216	16%	0.159	C	C	.	.	S	Bend	trans	73.8	-161.5	172.4	0	0	0	0	0	113.8	A75 T77 V333	A75-G335 VanDerWaalsContact O-CA 3.24Å; A75-G335 WeakPolarHBondContact O-CA 3.31Å; A75-G335 PolarHBondContact O-N 3.03Å; T77-G335 PolarHBondContact N-O 2.89Å; T77-G335 PolarHBondContact OG1-O 3.17Å; V333-G335 PolarHBondContact O-N 3.09Å
336	C	98.5	Very high	98.4	Very high	77 Å²	77	24.1 Å²	24.1	52%	0.52	14%	0.135	S	C	.	.			trans	-82.1	153.8	177.4	65.4	0	0	0	0	111.7	M53 K282	M53-C336 HydrophobicContact CE-CB 3.95Å; M53-C336 HydrophobicContact SD-CB 4.31Å; K282-C336 PolarHBondContact NZ-O 2.89Å
337	V	98.6	Very high	98.4	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.042	14%	0.135	C	C	.	.			trans	-129.7	158.8	168.8	-57	0	0	0	0	110.9	K50 T77 V219 V333 L345	K50-V337 HydrophobicContact CD-CG2 3.9Å; K50-V337 HydrophobicContact CG-CG2 4.41Å; K50-V337 PolarHBondContact NZ-O 3.14Å; T77-V337 HydrophobicContact CG2-CG2 3.46Å; T77-V337 VanDerWaalsContact CG2-CG2 3.46Å; V219-V337 HydrophobicContact CB-CG1 4.42Å; V219-V337 HydrophobicContact CG1-CB 4.08Å; V219-V337 HydrophobicContact CG1-CG1 4.24Å; V219-V337 HydrophobicContact CG2-CG1 4.13Å; V333-V337 HydrophobicContact CG1-CG1 4.11Å; V337-L345 HydrophobicContact CB-CD1 4.44Å; V337-L345 HydrophobicContact CG2-CD1 3.66Å
338	V	98.1	Very high	98.5	Very high	11 Å²	11	22.4 Å²	22.4	7%	0.067	12%	0.123	C	C	.	.	S	Bend	trans	-57.6	157.2	-179.6	-62.4	0	0	0	0	114.2	T223 R277 E279 L345	T223-V338 HydrophobicContact CG2-CB 4.17Å; T223-V338 HydrophobicContact CG2-CG1 3.9Å; R277-V338 HydrophobicContact CB-CG1 4.1Å; E279-V338 HydrophobicContact CG-CG1 3.97Å; E279-V338 WeakPolarHBondContact OE1-CG1 3.3Å; V338-L345 HydrophobicContact CG2-CD2 4.01Å
339	G	98	Very high	98.5	Very high	11 Å²	11	23 Å²	23	11%	0.113	13%	0.125	C	C	.	.	S	Bend	trans	91.7	167.8	168.8	0	0	0	0	0	114.6	K50 V222	K50-G339 PolarHBondContact NZ-O 3.3Å; V222-G339 WeakPolarHBondContact O-CA 3.02Å
340	T	98.3	Very high	98.5	Very high	50 Å²	50	22.5 Å²	22.5	31%	0.307	12%	0.123	S	C	.	.			trans	-76.6	168.2	173.9	52.2	0	0	0	0	110.8	K224 R343	K224-T340 HydrophobicContact CB-CG2 4.13Å; K224-T340 HydrophobicContact CD-CG2 4.08Å; K224-T340 HydrophobicContact CG-CG2 3.71Å; T340-R343 WeakPolarHBondContact O-CB 3.49Å; T340-R343 PolarHBondContact O-N 3.13Å; T340-R343 PolarHBondContact OG1-NH2 3.01Å
341	K	98	Very high	98.4	Very high	81 Å²	81	26 Å²	26	35%	0.352	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	154.4	161.4	-55.1	179.8	-177.8	174.7	0	109.7	K50 V321 H322 R343	K50-K341 CarbonylContact O-C 3.52Å; K50-K341 WeakPolarHBondContact O-CA 3.2Å; V321-K341 WeakPolarHBondContact O-CD 3.3Å; V321-K341 WeakPolarHBondContact O-CE 3.46Å; V321-K341 PolarHBondContact O-NZ 3.19Å; H322-K341 HydrophobicContact CB-CD 4.39Å; K341-R343 PolarHBondContact O-N 2.88Å; K341-R343 VanDerWaalsContact O-N 3.17Å
342	K	98.5	Very high	98.3	Very high	94 Å²	94	30.8 Å²	30.8	41%	0.409	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	7.8	-174.9	-52.9	177.5	145.2	141.8	0	114.7	K50 L173 H322 Y323	K50-K342 PolarHBondContact O-N 3.07Å; L173-K342 HydrophobicContact CD2-CB 3.79Å; L173-K342 HydrophobicContact CD2-CD 3.69Å; L173-K342 VanDerWaalsContact CD2-CE 3.45Å; L173-K342 HydrophobicContact CD2-CG 3.48Å; L173-K342 VanDerWaalsContact CD2-CG 3.48Å; H322-K342 VanDerWaalsContact O-CD 3.23Å; H322-K342 WeakPolarHBondContact O-CD 3.44Å; H322-K342 WeakPolarHBondContact O-CE 3.22Å; H322-K342 PolarHBondContact O-NZ 2.77Å; Y323-K342 HydrophobicContact CD2-CB 4.33Å; Y323-K342 HydrophobicContact CD2-CG 3.58Å; Y323-K342 HydrophobicContact CE2-CG 4.19Å; Y323-K342 VanDerWaalsContact O-CE 3.25Å; Y323-K342 WeakPolarHBondContact O-CE 3.35Å
343	R	98.6	Very high	98.1	Very high	17 Å²	17	37.1 Å²	37.1	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131	-179	-178.1	60.5	59.5	117.9	10.8	110.2	H25 Y49 K50 T340 K341 L345	H25-R343 PolarHBondContact CE1-NH1 3.45Å; Y49-R343 WeakPolarHBondContact CA-O 3.37Å; K50-R343 PolarHBondContact N-O 3.17Å; T340-R343 WeakPolarHBondContact O-CB 3.49Å; T340-R343 PolarHBondContact O-N 3.13Å; T340-R343 PolarHBondContact OG1-NH2 3.01Å; K341-R343 PolarHBondContact O-N 2.88Å; K341-R343 VanDerWaalsContact O-N 3.17Å; R343-L345 HydrophobicContact CG-CD2 4.22Å; R343-L345 PolarHBondContact O-N 3.26Å
344	V	98.7	Very high	98	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.4	167	65.5	0	0	0	0	110.7	R26 L47 G48 Y49 H179	R26-V344 HydrophobicContact CB-CG1 4.11Å; R26-V344 HydrophobicContact CG-CG1 4.19Å; R26-V344 HydrophobicContact CG-CG2 4.49Å; L47-V344 HydrophobicContact CD2-CG2 4.23Å; G48-V344 CarbonylContact O-C 3.6Å; G48-V344 WeakPolarHBondContact O-CA 3.36Å; Y49-V344 HydrophobicContact CD1-CB 4.12Å; Y49-V344 HydrophobicContact CE1-CB 3.77Å; Y49-V344 HydrophobicContact CE1-CG2 4.08Å; H179-V344 HydrophobicContact CB-CG2 4.39Å
345	L	98.9	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.2	176.2	-61.1	179.8	0	0	0	108.9	L47 G48 K50 V79 V219 V337 V338 R343	L47-L345 WeakPolarHBondContact CA-O 3.43Å; G48-L345 PolarHBondContact N-O 2.56Å; G48-L345 PolarHBondContact O-N 2.92Å; K50-L345 HydrophobicContact CB-CD1 3.91Å; K50-L345 HydrophobicContact CB-CG 4.41Å; V79-L345 HydrophobicContact CG2-CD1 4.17Å; V219-L345 HydrophobicContact CG1-CB 4.26Å; V219-L345 HydrophobicContact CG1-CD1 3.93Å; V219-L345 HydrophobicContact CG1-CD2 4.38Å; V219-L345 HydrophobicContact CG1-CG 4.42Å; V337-L345 HydrophobicContact CB-CD1 4.44Å; V337-L345 HydrophobicContact CG2-CD1 3.66Å; V338-L345 HydrophobicContact CG2-CD2 4.01Å; R343-L345 HydrophobicContact CG-CD2 4.22Å; R343-L345 PolarHBondContact O-N 3.26Å
346	T	98.9	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.4	169.8	-63.3	0	0	0	0	107.7	G27 F46 L47 M181 I220	G27-T346 PolarHBondContact O-OG1 2.98Å; F46-T346 WeakPolarHBondContact O-CA 3.37Å; L47-T346 HydrophobicContact CD2-CG2 4.34Å; L47-T346 WeakPolarHBondContact CD2-OG1 3.45Å; M181-T346 HydrophobicContact CE-CG2 4.25Å; M181-T346 HydrophobicContact SD-CG2 3.97Å; I220-T346 PolarHBondContact N-O 2.75Å; I220-T346 PolarHBondContact O-N 2.81Å
347	L	98.8	Very high	97.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.5	172.8	-51.6	-178.2	0	0	0	106.9	A45 F46 T81 F211 I217 V219 V331	A45-L347 CarbonylContact C-O 3.48Å; A45-L347 WeakPolarHBondContact CA-O 3.5Å; A45-L347 VanDerWaalsContact CB-O 3.23Å; A45-L347 WeakPolarHBondContact CB-O 3.48Å; F46-L347 PolarHBondContact N-O 2.65Å; F46-L347 PolarHBondContact O-N 2.98Å; T81-L347 HydrophobicContact CG2-CD1 4.11Å; F211-L347 HydrophobicContact CE2-CB 3.65Å; F211-L347 HydrophobicContact CE2-CD1 4.33Å; F211-L347 HydrophobicContact CZ-CB 3.75Å; I217-L347 HydrophobicContact CD1-CB 4.2Å; I217-L347 HydrophobicContact CD1-CD1 4.34Å; I217-L347 HydrophobicContact CD1-CD2 4.02Å; I217-L347 HydrophobicContact CD1-CG 4.4Å; V219-L347 HydrophobicContact CG1-CD2 4.24Å; V219-L347 HydrophobicContact CG2-CD2 3.91Å; V331-L347 HydrophobicContact CB-CD1 4.48Å; V331-L347 HydrophobicContact CG2-CD1 4.22Å
348	R	98.7	Very high	97.3	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.038	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.5	179.3	-172.3	-166.5	60.6	-166.4	-4.7	108.5	S31 A45 D218 I220 L351	S31-R348 VanDerWaalsContact O-CD 3.23Å; S31-R348 WeakPolarHBondContact O-CD 3.28Å; S31-R348 PolarHBondContact O-NH1 3.07Å; A45-R348 HydrophobicContact CB-CB 4.31Å; A45-R348 HydrophobicContact CB-CG 4.29Å; D218-R348 HydrophobicContact CB-CB 4.47Å; D218-R348 PolarHBondContact N-O 3.23Å; D218-R348 PolarHBondContact O-N 2.81Å; D218-R348 IonicContact OD2-CZ 3.81Å; D218-R348 IonicContact OD2-NE 2.92Å; D218-R348 PolarHBondContact OD2-NE 3.41Å; D218-R348 IonicContact OD2-NH2 3.39Å; D218-R348 PolarHBondContact OD2-NH2 2.76Å; I220-R348 HydrophobicContact CD1-CB 4.27Å; R348-L351 VanDerWaalsContact NH2-CG 3.35Å
349	K	98.5	Very high	97.2	Very high	35 Å²	35	58 Å²	58	15%	0.152	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	149.7	166	-71	-167.3	172.7	-74.6	0	110.1	P33 T44 V210 F211 E215	P33-K349 HydrophobicContact CG-CB 3.9Å; T44-K349 PolarHBondContact O-N 2.82Å; V210-K349 WeakPolarHBondContact O-CE 3.43Å; V210-K349 PolarHBondContact O-NZ 3.29Å; F211-K349 HydrophobicContact CD1-CG 4.07Å; F211-K349 HydrophobicContact CE1-CB 4.48Å; F211-K349 HydrophobicContact CE1-CG 3.67Å; E215-K349 VanDerWaalsContact CD-NZ 3.31Å; E215-K349 WeakPolarHBondContact OE1-CG 3.14Å; E215-K349 IonicContact OE1-NZ 3.18Å; E215-K349 PolarHBondContact OE1-NZ 3.3Å; E215-K349 IonicContact OE2-NZ 2.76Å; E215-K349 PolarHBondContact OE2-NZ 2.79Å
350	S	97.6	Very high	97.1	Very high	19 Å²	19	62.9 Å²	62.9	13%	0.133	31%	0.311	C	S	.	.			trans	-60.8	147.8	-178.5	-164.4	0	0	0	0	111.3	L352 Q354	S350-L352 VanDerWaalsContact C-N 3.29Å; S350-L352 PolarHBondContact OG-N 2.89Å; S350-Q354 PolarHBondContact OG-NE2 3.19Å
351	L	97.6	Very high	96.9	Very high	75 Å²	75	61.1 Å²	61.1	39%	0.393	30%	0.3	S	S	.	.	S	Bend	trans	-83.6	-11.6	169	-57.2	-178.1	0	0	0	112.5	F32 P33 R348	F32-L351 VanDerWaalsContact C-CD2 3.4Å; F32-L351 WeakPolarHBondContact O-CD2 3.27Å; P33-L351 HydrophobicContact CB-CD2 4.48Å; P33-L351 HydrophobicContact CG-CD2 4.28Å; R348-L351 VanDerWaalsContact NH2-CG 3.35Å
352	L	95.2	Very high	96.9	Very high	100 Å²	100	65.8 Å²	65.8	52%	0.524	32%	0.32	S	S	.	.	S	Bend	trans	-106.2	142.8	-174.6	-57	176.3	0	0	0	109.3	I280 S350 Q354	I280-L352 HydrophobicContact CD1-CD1 4.43Å; S350-L352 VanDerWaalsContact C-N 3.29Å; S350-L352 PolarHBondContact OG-N 2.89Å; L352-Q354 PolarHBondContact O-N 2.74Å
353	V	94.3	Very high	96.8	Very high	132 Å²	132	62 Å²	62	80%	0.8	30%	0.304	S	S	*	.			trans	-70.4	123.7	166.1	-176.3	0	0	0	0	107.7	T355	V353-T355 HydrophobicContact CG1-CG2 4.06Å
354	Q	96.6	Very high	96.7	Very high	46 Å²	46	64.4 Å²	64.4	22%	0.215	32%	0.318	C	S	.	.			trans	-95	106.3	-174.9	-61.3	-69.6	-22.3	0	0	109.4	M216 N281 S350 L352 A359	M216-Q354 HydrophobicContact CB-CG 4.01Å; M216-Q354 HydrophobicContact CG-CG 4.44Å; N281-Q354 PolarHBondContact OD1-NE2 3Å; S350-Q354 PolarHBondContact OG-NE2 3.19Å; L352-Q354 PolarHBondContact O-N 2.74Å; Q354-A359 HydrophobicContact CB-CB 3.96Å
355	T	96.3	Very high	96.6	Very high	114 Å²	114	64.9 Å²	64.9	70%	0.699	32%	0.32	S	S	*	.			trans	-115.4	-13.5	-178.4	55.2	0	0	0	0	113.3	V353	V353-T355 HydrophobicContact CG1-CG2 4.06Å
356	S	96.1	Very high	96.6	Very high	61 Å²	61	66.4 Å²	66.4	43%	0.427	33%	0.327	S	S	.	.	S	Bend	trans	-67.5	142.8	-176.8	74.6	0	0	0	0	111.6	R358 A359 L360	S356-R358 PolarHBondContact O-N 2.95Å; S356-R358 VanDerWaalsContact O-N 3.16Å; S356-A359 WeakPolarHBondContact O-CA 3.47Å; S356-A359 WeakPolarHBondContact O-CB 3.38Å; S356-A359 PolarHBondContact O-N 3.26Å; S356-A359 VanDerWaalsContact OG-CB 3.24Å; S356-A359 WeakPolarHBondContact OG-CB 3.13Å; S356-A359 PolarHBondContact OG-N 3.02Å; S356-L360 PolarHBondContact O-N 3.46Å
357	R	93.5	Very high	96.5	Very high	216 Å²	216	68.9 Å²	68.9	82%	0.815	34%	0.338	S	S	*	.	H	α-helix	trans	-51.4	-40.8	175.8	-65.8	-176.7	-178.1	175.8	0	112.3	A359 L360 E361	R357-A359 VanDerWaalsContact C-N 3.3Å; R357-A359 PolarHBondContact O-N 3.37Å; R357-L360 PolarHBondContact O-N 3.01Å; R357-E361 PolarHBondContact O-N 2.64Å
358	R	93.6	Very high	96.5	Very high	151 Å²	151	68.9 Å²	68.9	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-31.8	176.4	-176.4	177.3	176.8	171	1.7	113.4	S356	S356-R358 PolarHBondContact O-N 2.95Å; S356-R358 VanDerWaalsContact O-N 3.16Å
359	A	96	Very high	96.5	Very high	5 Å²	5	68.8 Å²	68.8	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-78.2	-36.8	177.8	0	0	0	0	0	111.9	M216 K283 Q354 S356 R357	M216-A359 HydrophobicContact CE-CB 4.08Å; M216-A359 HydrophobicContact CG-CB 3.95Å; K283-A359 PolarHBondContact NZ-O 3.46Å; Q354-A359 HydrophobicContact CB-CB 3.96Å; S356-A359 WeakPolarHBondContact O-CA 3.47Å; S356-A359 WeakPolarHBondContact O-CB 3.38Å; S356-A359 PolarHBondContact O-N 3.26Å; S356-A359 VanDerWaalsContact OG-CB 3.24Å; S356-A359 WeakPolarHBondContact OG-CB 3.13Å; S356-A359 PolarHBondContact OG-N 3.02Å; R357-A359 VanDerWaalsContact C-N 3.3Å; R357-A359 PolarHBondContact O-N 3.37Å
360	L	96.1	Very high	96.5	Very high	113 Å²	113	67.2 Å²	67.2	59%	0.592	33%	0.331	S	S	*	.	H	α-helix	trans	-87.8	-7.7	-178	-61.4	176.1	0	0	0	114.3	S356 R357 K362	S356-L360 PolarHBondContact O-N 3.46Å; R357-L360 PolarHBondContact O-N 3.01Å; L360-K362 PolarHBondContact O-N 3.01Å
361	E	95.5	Very high	96.5	Very high	14 Å²	14	67.1 Å²	67.1	7%	0.065	33%	0.33	C	S	.	.			trans	-51.6	127.4	176.5	-176.3	179.5	178.6	0	0	111.7	R58 R62 K283 R357 I363	R58-E361 IonicContact CZ-OE1 2.64Å; R58-E361 IonicContact NH1-OE1 3.86Å; R58-E361 PolarHBondContact NH1-OE1 3.04Å; R58-E361 IonicContact NH2-OE1 3.8Å; R58-E361 PolarHBondContact NH2-OE1 3.42Å; R58-E361 IonicContact NH2-OE2 3.42Å; R62-E361 IonicContact CZ-OE1 3.46Å; R62-E361 IonicContact CZ-OE2 2.65Å; R62-E361 IonicContact NE-OE1 2.81Å; R62-E361 IonicContact NE-OE2 2.87Å; R62-E361 PolarHBondContact NE-OE2 2.83Å; R62-E361 IonicContact NH2-OE1 2.96Å; R62-E361 IonicContact NH2-OE2 3.48Å; R62-E361 PolarHBondContact NH2-OE2 3.05Å; K283-E361 WeakPolarHBondContact CE-O 3.35Å; K283-E361 PolarHBondContact NZ-O 3.3Å; R357-E361 PolarHBondContact O-N 2.64Å; E361-I363 HydrophobicContact CG-CD1 4.32Å
362	K	96.8	Very high	96.5	Very high	179 Å²	179	64.8 Å²	64.8	78%	0.778	32%	0.32	S	S	*	.			trans	-75.6	140.6	172.1	-65.6	-177.4	-179.8	-179.8	0	109.8	D214 L360	D214-K362 WeakPolarHBondContact OD2-CA 3.44Å; L360-K362 PolarHBondContact O-N 3.01Å
363	I	96.8	Very high	96.7	Very high	15 Å²	15	63.2 Å²	63.2	8%	0.077	31%	0.309	C	S	.	.			trans	-108.1	112.7	-178.6	-54.7	-62	0	0	0	109.5	D214 K283 Y285 E361 L365	D214-I363 VanDerWaalsContact CG-N 3.35Å; D214-I363 WeakPolarHBondContact OD1-CB 3.46Å; D214-I363 WeakPolarHBondContact OD1-CG1 3.35Å; D214-I363 PolarHBondContact OD1-N 2.91Å; D214-I363 VanDerWaalsContact OD1-N 3.1Å; D214-I363 PolarHBondContact OD2-N 3.46Å; K283-I363 HydrophobicContact CD-CD1 4.04Å; K283-I363 HydrophobicContact CD-CG1 3.99Å; Y285-I363 HydrophobicContact CD1-CB 4.48Å; Y285-I363 HydrophobicContact CD1-CD1 4.35Å; Y285-I363 HydrophobicContact CD1-CG1 3.89Å; Y285-I363 HydrophobicContact CD1-CG2 4.1Å; Y285-I363 HydrophobicContact CD2-CG2 4.18Å; Y285-I363 HydrophobicContact CE1-CD1 3.85Å; Y285-I363 HydrophobicContact CE1-CG1 3.89Å; Y285-I363 HydrophobicContact CE1-CG2 4.42Å; Y285-I363 HydrophobicContact CE2-CG2 4.5Å; Y285-I363 HydrophobicContact CG-CG2 3.95Å; E361-I363 HydrophobicContact CG-CD1 4.32Å; I363-L365 HydrophobicContact CG2-CD2 3.68Å; I363-L365 HydrophobicContact CG2-CG 4.25Å
364	D	95.8	Very high	96.8	Very high	66 Å²	66	64.7 Å²	64.7	35%	0.353	31%	0.305	S	S	.	.			trans	-104.6	127.5	167.4	-177.4	19.9	0	0	0	109.3	R58 Y307	R58-D364 WeakPolarHBondContact CB-O 3.01Å; Y307-D364 VanDerWaalsContact CE2-OD2 3.28Å; Y307-D364 WeakPolarHBondContact CE2-OD2 3.43Å; Y307-D364 PolarHBondContact OH-OD2 2.94Å; Y307-D364 VanDerWaalsContact OH-OD2 3.09Å
365	L	97.4	Very high	96.8	Very high	11 Å²	11	65.3 Å²	65.3	6%	0.058	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.8	-175.8	-61.8	-179.2	0	0	0	109.3	I56 R58 Y285 K286 T305 M332 I363 I368	I56-L365 HydrophobicContact CB-CD2 4.3Å; I56-L365 HydrophobicContact CD1-CD2 3.85Å; I56-L365 HydrophobicContact CG1-CD2 3.96Å; R58-L365 HydrophobicContact CB-CD2 4.3Å; Y285-L365 HydrophobicContact CD2-CD2 4.16Å; K286-L365 HydrophobicContact CB-CD1 4.11Å; K286-L365 HydrophobicContact CD-CD1 4.3Å; T305-L365 VanDerWaalsContact CB-O 3.25Å; T305-L365 WeakPolarHBondContact CB-O 3.43Å; T305-L365 HydrophobicContact CG2-CB 4.2Å; T305-L365 WeakPolarHBondContact CG2-O 3.31Å; M332-L365 HydrophobicContact SD-CD1 3.94Å; I363-L365 HydrophobicContact CG2-CD2 3.68Å; I363-L365 HydrophobicContact CG2-CG 4.25Å; L365-I368 HydrophobicContact CD1-CD1 4.19Å; L365-I368 HydrophobicContact CD1-CG1 4.42Å
366	K	97.9	Very high	96.9	Very high	32 Å²	32	69 Å²	69	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-31.7	176.5	-66.3	-167	173.7	179.6	0	113.3	V57 E59 E71 T305 Y307	V57-K366 PolarHBondContact O-N 2.86Å; E59-K366 WeakPolarHBondContact OE2-CE 3.37Å; E59-K366 IonicContact OE2-NZ 3.93Å; E59-K366 PolarHBondContact OE2-NZ 2.94Å; E71-K366 HydrophobicContact CG-CD 4.16Å; E71-K366 WeakPolarHBondContact OE1-CD 3.32Å; E71-K366 IonicContact OE1-NZ 2.71Å; E71-K366 PolarHBondContact OE1-NZ 3.22Å; T305-K366 PolarHBondContact OG1-O 3.12Å; Y307-K366 HydrophobicContact CD1-CG 4.41Å; Y307-K366 HydrophobicContact CD2-CB 4.17Å; Y307-K366 HydrophobicContact CD2-CG 3.77Å; Y307-K366 HydrophobicContact CE2-CG 3.93Å; Y307-K366 HydrophobicContact CG-CB 4.28Å; Y307-K366 HydrophobicContact CG-CG 4.02Å
367	F	98.1	Very high	96.9	Very high	53 Å²	53	67.3 Å²	67.3	23%	0.232	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	143.4	-176.9	178.7	-105	0	0	0	111.7	I56 V57 D308 D369 Q380	I56-F367 CarbonylContact C-O 3.55Å; I56-F367 WeakPolarHBondContact CA-O 3.13Å; I56-F367 VanDerWaalsContact CB-O 3.3Å; I56-F367 WeakPolarHBondContact CB-O 2.96Å; V57-F367 HydrophobicContact CB-CB 3.87Å; V57-F367 HydrophobicContact CG2-CB 4.01Å; V57-F367 HydrophobicContact CG2-CD1 4.01Å; V57-F367 HydrophobicContact CG2-CG 4.46Å; V57-F367 PolarHBondContact N-O 3.35Å; V57-F367 PolarHBondContact O-N 2.95Å; V57-F367 VanDerWaalsContact O-N 3.17Å; D308-F367 WeakPolarHBondContact OD2-CD2 3.48Å; F367-D369 HydrophobicContact CE1-CB 3.77Å; F367-D369 HydrophobicContact CZ-CB 4.48Å; F367-Q380 HydrophobicContact CE2-CG 4.32Å; F367-Q380 VanDerWaalsContact CZ-CD 3.47Å; F367-Q380 HydrophobicContact CZ-CG 4.09Å
368	I	98.5	Very high	97.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.2	171.5	-59.3	169.5	0	0	0	108.1	T54 I56 K286 A303 T305 K312 I314 M332 L365 T370	T54-I368 HydrophobicContact CG2-CG2 4.35Å; I56-I368 HydrophobicContact CG2-CB 4.37Å; I56-I368 HydrophobicContact CG2-CG1 3.9Å; I56-I368 HydrophobicContact CG2-CG2 4.34Å; K286-I368 HydrophobicContact CD-CD1 4.25Å; A303-I368 HydrophobicContact CB-CB 4.3Å; A303-I368 HydrophobicContact CB-CD1 4.19Å; A303-I368 HydrophobicContact CB-CG2 4.12Å; T305-I368 HydrophobicContact CG2-CD1 4.13Å; T305-I368 HydrophobicContact CG2-CG1 4.21Å; K312-I368 PolarHBondContact NZ-O 3.21Å; I314-I368 HydrophobicContact CD1-CG2 3.69Å; M332-I368 HydrophobicContact CE-CD1 3.85Å; M332-I368 HydrophobicContact CE-CG1 4.19Å; M332-I368 HydrophobicContact CE-CG2 4.2Å; L365-I368 HydrophobicContact CD1-CD1 4.19Å; L365-I368 HydrophobicContact CD1-CG1 4.42Å; I368-T370 PolarHBondContact O-N 2.7Å
369	D	98.4	Very high	97.3	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.043	31%	0.305	C	S	.	.			trans	-78.2	121.3	-179.7	174.7	51.5	0	0	0	111.3	T54 H55 F367 T371 K373 Q380	T54-D369 PolarHBondContact OG1-O 2.99Å; H55-D369 VanDerWaalsContact CE1-CB 3.44Å; H55-D369 WeakPolarHBondContact CE1-CB 3.38Å; H55-D369 IonicContact CE1-OD2 2.81Å; H55-D369 PolarHBondContact CE1-OD2 3.43Å; H55-D369 IonicContact ND1-OD2 3.58Å; H55-D369 PolarHBondContact ND1-OD2 2.74Å; H55-D369 IonicContact NE2-OD2 3.62Å; H55-D369 WeakPolarHBondContact O-CB 3.29Å; H55-D369 PolarHBondContact O-N 3.26Å; H55-D369 VanDerWaalsContact O-N 3.14Å; F367-D369 HydrophobicContact CE1-CB 3.77Å; F367-D369 HydrophobicContact CZ-CB 4.48Å; D369-T371 VanDerWaalsContact CG-OG1 3.22Å; D369-T371 WeakPolarHBondContact OD1-CB 3.28Å; D369-T371 VanDerWaalsContact OD1-CG2 3.29Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.4Å; D369-T371 PolarHBondContact OD1-N 3.26Å; D369-T371 PolarHBondContact OD1-OG1 3.25Å; D369-T371 PolarHBondContact OD2-OG1 2.8Å; D369-K373 IonicContact OD1-NZ 2.71Å; D369-K373 WeakPolarHBondContact OD2-CE 3.1Å; D369-K373 IonicContact OD2-NZ 3.69Å; D369-K373 PolarHBondContact OD2-NZ 2.82Å; D369-Q380 PolarHBondContact OD1-NE2 3.11Å; D369-Q380 PolarHBondContact OD1-OE1 3.21Å
370	T	98	Very high	97.4	Very high	1 Å²	1	63 Å²	63	1%	0.006	31%	0.31	C	S	.	.			trans	-117.6	15.3	178.3	59.7	0	0	0	0	111.9	A303 K312 S313 P316 L317 I368 Q380	A303-T370 HydrophobicContact CB-CG2 4.21Å; K312-T370 HydrophobicContact CD-CG2 3.97Å; K312-T370 HydrophobicContact CG-CG2 4.44Å; S313-T370 VanDerWaalsContact O-CG2 3.28Å; S313-T370 WeakPolarHBondContact O-CG2 3.36Å; P316-T370 CarbonylContact C-O 3.55Å; P316-T370 WeakPolarHBondContact CA-O 3.38Å; L317-T370 PolarHBondContact N-O 3.45Å; I368-T370 PolarHBondContact O-N 2.7Å; T370-Q380 PolarHBondContact OG1-O 3.42Å; T370-Q380 PolarHBondContact OG1-OE1 3.12Å
371	T	98.3	Very high	97.4	Very high	17 Å²	17	58.6 Å²	58.6	10%	0.104	29%	0.288	C	S	.	.	S	Bend	trans	-55.9	151.5	170.1	52.5	0	0	0	0	112.1	P316 D369 K373 F379	P316-T371 WeakPolarHBondContact CB-O 3.47Å; D369-T371 VanDerWaalsContact CG-OG1 3.22Å; D369-T371 WeakPolarHBondContact OD1-CB 3.28Å; D369-T371 VanDerWaalsContact OD1-CG2 3.29Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.4Å; D369-T371 PolarHBondContact OD1-N 3.26Å; D369-T371 PolarHBondContact OD1-OG1 3.25Å; D369-T371 PolarHBondContact OD2-OG1 2.8Å; T371-K373 PolarHBondContact O-N 3.26Å; T371-K373 PolarHBondContact O-NZ 2.78Å; T371-K373 PolarHBondContact OG1-NZ 3.13Å; T371-F379 WeakPolarHBondContact CA-O 3.12Å; T371-F379 WeakPolarHBondContact CG2-O 3.13Å
372	S	98.1	Very high	97.4	Very high	27 Å²	27	63.2 Å²	63.2	19%	0.189	31%	0.312	C	S	.	.			trans	-56.6	130.1	176.8	-166.8	0	0	0	0	111.4	L317 F374 G377	L317-S372 WeakPolarHBondContact O-CA 3.16Å; L317-S372 VanDerWaalsContact O-CB 3.28Å; L317-S372 WeakPolarHBondContact O-CB 3.28Å; L317-S372 PolarHBondContact O-OG 3.1Å; S372-F374 VanDerWaalsContact C-N 3.33Å; S372-F374 PolarHBondContact OG-N 3.35Å; S372-G377 PolarHBondContact O-N 2.62Å
373	K	97.9	Very high	97.3	Very high	66 Å²	66	61.5 Å²	61.5	29%	0.287	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	6.2	174.6	-56.7	-63.4	176.6	-88.1	0	112.5	T54 P316 V321 D369 T371	T54-K373 WeakPolarHBondContact OG1-CE 3.38Å; P316-K373 HydrophobicContact CB-CG 4.09Å; P316-K373 HydrophobicContact CG-CG 4.13Å; V321-K373 HydrophobicContact CG2-CB 4.22Å; V321-K373 WeakPolarHBondContact CG2-O 3.43Å; D369-K373 IonicContact OD1-NZ 2.71Å; D369-K373 WeakPolarHBondContact OD2-CE 3.1Å; D369-K373 IonicContact OD2-NZ 3.69Å; D369-K373 PolarHBondContact OD2-NZ 2.82Å; T371-K373 PolarHBondContact O-N 3.26Å; T371-K373 PolarHBondContact O-NZ 2.78Å; T371-K373 PolarHBondContact OG1-NZ 3.13Å
374	F	97.3	Very high	97.3	Very high	164 Å²	164	64.4 Å²	64.4	72%	0.719	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	81.7	172.4	-167.1	-110.8	0	0	0	109.2	V321 S372	V321-F374 HydrophobicContact CG1-CD2 4.07Å; V321-F374 HydrophobicContact CG2-CB 3.78Å; V321-F374 HydrophobicContact CG2-CD2 4.15Å; V321-F374 HydrophobicContact CG2-CG 4.45Å; S372-F374 VanDerWaalsContact C-N 3.33Å; S372-F374 PolarHBondContact OG-N 3.35Å
375	G	96.4	Very high	97.4	Very high	59 Å²	59	65.4 Å²	65.4	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-150.1	-168.7	0	0	0	0	0	111.6
376	H	97.5	Very high	97.4	Very high	191 Å²	191	71.3 Å²	71.3	88%	0.884	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	87.9	179.6	-58	151	0	0	0	109.9
377	G	96.8	Very high	97.3	Very high	26 Å²	26	76.2 Å²	76.2	27%	0.268	37%	0.374	S	S	.	.			trans	-67.1	136.9	176.4	0	0	0	0	0	112.1	S372	S372-G377 PolarHBondContact O-N 2.62Å
378	R	97.7	Very high	97.3	Very high	217 Å²	217	81.2 Å²	81.2	82%	0.819	40%	0.396	S	S	*	.			trans	-108.9	-15.8	-179.4	-64	-176.6	-178.8	178.3	-1	114.7
379	F	98.1	Very high	97.2	Very high	32 Å²	32	85.5 Å²	85.5	14%	0.14	42%	0.418	C	S	.	.			trans	-121.3	145.4	-174.8	-51.9	-74.7	0	0	0	109.8	L317 T371 E384 K385 F388	L317-F379 HydrophobicContact CD1-CB 4.17Å; L317-F379 VanDerWaalsContact CD1-O 3.26Å; L317-F379 WeakPolarHBondContact CD1-O 3.24Å; T371-F379 WeakPolarHBondContact CA-O 3.12Å; T371-F379 WeakPolarHBondContact CG2-O 3.13Å; F379-E384 HydrophobicContact CD1-CG 4.17Å; F379-K385 HydrophobicContact CB-CB 3.89Å; F379-K385 HydrophobicContact CD1-CB 4.34Å; F379-K385 HydrophobicContact CD2-CB 3.68Å; F379-K385 HydrophobicContact CD2-CD 3.92Å; F379-K385 HydrophobicContact CD2-CG 3.57Å; F379-K385 HydrophobicContact CE2-CB 4.3Å; F379-K385 HydrophobicContact CE2-CD 4.34Å; F379-K385 HydrophobicContact CE2-CG 3.83Å; F379-K385 HydrophobicContact CG-CB 3.7Å; F379-K385 HydrophobicContact CG-CG 4.13Å; F379-F388 HydrophobicContact CD1-CB 4.4Å; F379-F388 HydrophobicContact CE1-CB 3.59Å; F379-F388 AromaticContact CE1-CD1 3.62Å; F379-F388 HydrophobicContact CE1-CD1 3.62Å; F379-F388 HydrophobicContact CE1-CD2 4.12Å; F379-F388 HydrophobicContact CE1-CE1 4.33Å; F379-F388 AromaticContact CE1-CG 3.49Å; F379-F388 HydrophobicContact CE1-CG 3.49Å; F379-F388 VanDerWaalsContact CE1-CG 3.49Å; F379-F388 HydrophobicContact CZ-CB 4.11Å; F379-F388 AromaticContact CZ-CD1 3.41Å; F379-F388 HydrophobicContact CZ-CD1 3.41Å; F379-F388 VanDerWaalsContact CZ-CD1 3.41Å; F379-F388 AromaticContact CZ-CE1 3.98Å; F379-F388 HydrophobicContact CZ-CE1 3.98Å; F379-F388 AromaticContact CZ-CG 3.82Å; F379-F388 HydrophobicContact CZ-CG 3.82Å
380	Q	97.1	Very high	97.1	Very high	33 Å²	33	86.5 Å²	86.5	15%	0.154	43%	0.43	C	S	.	.	S	Bend	trans	-81.7	-37.6	178.4	-58.6	-60.4	-34.3	0	0	111.9	F367 D369 T370 E384	F367-Q380 HydrophobicContact CE2-CG 4.32Å; F367-Q380 VanDerWaalsContact CZ-CD 3.47Å; F367-Q380 HydrophobicContact CZ-CG 4.09Å; D369-Q380 PolarHBondContact OD1-NE2 3.11Å; D369-Q380 PolarHBondContact OD1-OE1 3.21Å; T370-Q380 PolarHBondContact OG1-O 3.42Å; T370-Q380 PolarHBondContact OG1-OE1 3.12Å; Q380-E384 WeakPolarHBondContact CA-OE2 3.44Å; Q380-E384 VanDerWaalsContact CB-OE2 3.24Å; Q380-E384 WeakPolarHBondContact CB-OE2 3.3Å; Q380-E384 PolarHBondContact N-OE2 3.45Å
381	T	97	Very high	97	Very high	20 Å²	20	92 Å²	92	12%	0.123	47%	0.466	C	S	.	.	S	Bend	trans	-126.9	163.4	-179.2	70.6	0	0	0	0	112.7	T310 K312 E383 E384 K385	T310-T381 HydrophobicContact CG2-CG2 3.56Å; K312-T381 HydrophobicContact CB-CG2 4.04Å; T381-E383 VanDerWaalsContact C-N 3.29Å; T381-E384 PolarHBondContact N-OE2 3.43Å; T381-E384 VanDerWaalsContact OG1-CB 3.28Å; T381-E384 WeakPolarHBondContact OG1-CB 3.4Å; T381-E384 PolarHBondContact OG1-N 3.37Å; T381-K385 PolarHBondContact O-N 2.73Å
382	L	95.6	Very high	96.9	Very high	110 Å²	110	94 Å²	94	58%	0.576	48%	0.476	S	S	*	.	H	α-helix	trans	-69.3	-32.8	174.2	-72.4	177.3	0	0	0	111.3	L317 K385 K386	L317-L382 HydrophobicContact CD2-CD2 3.83Å; L317-L382 HydrophobicContact CD2-CG 3.73Å; L382-K385 PolarHBondContact O-N 2.87Å; L382-K386 WeakPolarHBondContact O-CB 3.26Å; L382-K386 VanDerWaalsContact O-CG 3.3Å; L382-K386 WeakPolarHBondContact O-CG 3.28Å; L382-K386 PolarHBondContact O-N 2.91Å
383	E	95.3	Very high	96.8	Very high	143 Å²	143	100.3 Å²	100.3	67%	0.668	50%	0.499	S	S	*	.	H	α-helix	trans	-65.8	-49.4	176.9	-68.9	169.2	-169	0	0	110.7	T381 K385 K386 N387	T381-E383 VanDerWaalsContact C-N 3.29Å; E383-K385 VanDerWaalsContact C-N 3.28Å; E383-K385 PolarHBondContact O-N 3.13Å; E383-K386 PolarHBondContact O-N 3.04Å; E383-K386 VanDerWaalsContact O-N 3.13Å; E383-N387 WeakPolarHBondContact O-CB 3.37Å; E383-N387 PolarHBondContact O-N 3.2Å; E383-N387 PolarHBondContact O-OD1 2.96Å
384	E	96.8	Very high	96.7	Very high	77 Å²	77	104 Å²	104	36%	0.36	52%	0.516	S	S	.	.	H	α-helix	trans	-54.8	-45.4	173.8	-176	-163.3	156.4	0	0	111.3	F379 Q380 T381 N387 F388	F379-E384 HydrophobicContact CD1-CG 4.17Å; Q380-E384 WeakPolarHBondContact CA-OE2 3.44Å; Q380-E384 VanDerWaalsContact CB-OE2 3.24Å; Q380-E384 WeakPolarHBondContact CB-OE2 3.3Å; Q380-E384 PolarHBondContact N-OE2 3.45Å; T381-E384 PolarHBondContact N-OE2 3.43Å; T381-E384 VanDerWaalsContact OG1-CB 3.28Å; T381-E384 WeakPolarHBondContact OG1-CB 3.4Å; T381-E384 PolarHBondContact OG1-N 3.37Å; E384-N387 PolarHBondContact O-N 3.46Å; E384-F388 WeakPolarHBondContact O-CB 3.44Å; E384-F388 PolarHBondContact O-N 3.31Å
385	K	97.2	Very high	96.6	Very high	86 Å²	86	98.9 Å²	98.9	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-45.4	176.6	180	175.1	178.9	-179.4	0	112.6	F379 T381 L382 E383 F388 M389	F379-K385 HydrophobicContact CB-CB 3.89Å; F379-K385 HydrophobicContact CD1-CB 4.34Å; F379-K385 HydrophobicContact CD2-CB 3.68Å; F379-K385 HydrophobicContact CD2-CD 3.92Å; F379-K385 HydrophobicContact CD2-CG 3.57Å; F379-K385 HydrophobicContact CE2-CB 4.3Å; F379-K385 HydrophobicContact CE2-CD 4.34Å; F379-K385 HydrophobicContact CE2-CG 3.83Å; F379-K385 HydrophobicContact CG-CB 3.7Å; F379-K385 HydrophobicContact CG-CG 4.13Å; T381-K385 PolarHBondContact O-N 2.73Å; L382-K385 PolarHBondContact O-N 2.87Å; E383-K385 VanDerWaalsContact C-N 3.28Å; E383-K385 PolarHBondContact O-N 3.13Å; K385-F388 PolarHBondContact O-N 3.48Å; K385-M389 HydrophobicContact CD-SD 4.39Å; K385-M389 WeakPolarHBondContact CE-SD 3.46Å; K385-M389 HydrophobicContact CG-CG 4.32Å; K385-M389 HydrophobicContact CG-SD 3.96Å; K385-M389 WeakPolarHBondContact O-CB 3.3Å; K385-M389 VanDerWaalsContact O-CG 3.3Å; K385-M389 WeakPolarHBondContact O-CG 3.37Å; K385-M389 PolarHBondContact O-N 3.38Å
386	K	96.7	Very high	96.4	Very high	136 Å²	136	103.1 Å²	103.1	59%	0.591	49%	0.493	S	S	*	.	H	α-helix	trans	-64.4	-43.9	179.8	-77.8	177.1	177.8	-173.5	0	110.9	L382 E383 F388 M389 G390	L382-K386 WeakPolarHBondContact O-CB 3.26Å; L382-K386 VanDerWaalsContact O-CG 3.3Å; L382-K386 WeakPolarHBondContact O-CG 3.28Å; L382-K386 PolarHBondContact O-N 2.91Å; E383-K386 PolarHBondContact O-N 3.04Å; E383-K386 VanDerWaalsContact O-N 3.13Å; K386-F388 VanDerWaalsContact C-N 3.34Å; K386-F388 PolarHBondContact O-N 2.96Å; K386-M389 PolarHBondContact O-N 2.92Å; K386-G390 PolarHBondContact O-N 3.48Å
387	N	96.9	Very high	96.3	Very high	134 Å²	134	96.8 Å²	96.8	72%	0.717	47%	0.465	S	S	*	.	H	α-helix	trans	-63.1	-42	178.4	-66.8	-7.6	0	0	0	111.4	E383 E384	E383-N387 WeakPolarHBondContact O-CB 3.37Å; E383-N387 PolarHBondContact O-N 3.2Å; E383-N387 PolarHBondContact O-OD1 2.96Å; E384-N387 PolarHBondContact O-N 3.46Å
388	F	97.7	Very high	96.2	Very high	158 Å²	158	97.8 Å²	97.8	69%	0.693	47%	0.471	S	S	*	.	H	α-helix	trans	-68.1	-42.1	176.9	-176.7	-88	0	0	0	113.1	F379 E384 K385 K386	F379-F388 HydrophobicContact CD1-CB 4.4Å; F379-F388 HydrophobicContact CE1-CB 3.59Å; F379-F388 AromaticContact CE1-CD1 3.62Å; F379-F388 HydrophobicContact CE1-CD1 3.62Å; F379-F388 HydrophobicContact CE1-CD2 4.12Å; F379-F388 HydrophobicContact CE1-CE1 4.33Å; F379-F388 AromaticContact CE1-CG 3.49Å; F379-F388 HydrophobicContact CE1-CG 3.49Å; F379-F388 VanDerWaalsContact CE1-CG 3.49Å; F379-F388 HydrophobicContact CZ-CB 4.11Å; F379-F388 AromaticContact CZ-CD1 3.41Å; F379-F388 HydrophobicContact CZ-CD1 3.41Å; F379-F388 VanDerWaalsContact CZ-CD1 3.41Å; F379-F388 AromaticContact CZ-CE1 3.98Å; F379-F388 HydrophobicContact CZ-CE1 3.98Å; F379-F388 AromaticContact CZ-CG 3.82Å; F379-F388 HydrophobicContact CZ-CG 3.82Å; E384-F388 WeakPolarHBondContact O-CB 3.44Å; E384-F388 PolarHBondContact O-N 3.31Å; K385-F388 PolarHBondContact O-N 3.48Å; K386-F388 VanDerWaalsContact C-N 3.34Å; K386-F388 PolarHBondContact O-N 2.96Å
389	M	97.3	Very high	96	Very high	91 Å²	91	94.3 Å²	94.3	45%	0.448	46%	0.462	S	S	.	.	H	α-helix	trans	-80.9	-21.4	-175.9	-68.9	-168.8	77.4	0	0	113.9	K385 K386 L392	K385-M389 HydrophobicContact CD-SD 4.39Å; K385-M389 WeakPolarHBondContact CE-SD 3.46Å; K385-M389 HydrophobicContact CG-CG 4.32Å; K385-M389 HydrophobicContact CG-SD 3.96Å; K385-M389 WeakPolarHBondContact O-CB 3.3Å; K385-M389 VanDerWaalsContact O-CG 3.3Å; K385-M389 WeakPolarHBondContact O-CG 3.37Å; K385-M389 PolarHBondContact O-N 3.38Å; K386-M389 PolarHBondContact O-N 2.92Å; M389-L392 HydrophobicContact CB-CD2 4.4Å; M389-L392 HydrophobicContact CE-CD1 4.09Å; M389-L392 HydrophobicContact CE-CD2 4.09Å; M389-L392 HydrophobicContact SD-CD1 4.41Å
390	G	96.4	Very high	95.8	Very high	29 Å²	29	97.8 Å²	97.8	30%	0.299	48%	0.479	S	S	.	.			trans	69.1	-172.1	-171.7	0	0	0	0	0	113.4	K386 L392	K386-G390 PolarHBondContact O-N 3.48Å; G390-L392 PolarHBondContact O-N 3.28Å
391	P	95.1	Very high	95.6	Very high	117 Å²	117	103.5 Å²	103.5	76%	0.76	51%	0.505	S	S	*	.	S	Bend	trans	-67.3	122.8	179.7	27.5	-33	0	0	0	110.9
392	L	96.6	Very high	95	Very high	59 Å²	59	108.3 Å²	108.3	31%	0.309	54%	0.535	S	S	.	.			trans	-94.2	161.6	175.9	-57.9	177	0	0	0	111	M389 G390 K394 D395 R396	M389-L392 HydrophobicContact CB-CD2 4.4Å; M389-L392 HydrophobicContact CE-CD1 4.09Å; M389-L392 HydrophobicContact CE-CD2 4.09Å; M389-L392 HydrophobicContact SD-CD1 4.41Å; G390-L392 PolarHBondContact O-N 3.28Å; L392-K394 VanDerWaalsContact C-N 3.26Å; L392-K394 HydrophobicContact CB-CG 4.24Å; L392-K394 PolarHBondContact O-N 3.34Å; L392-K394 VanDerWaalsContact O-N 3.17Å; L392-D395 WeakPolarHBondContact CB-OD2 3.45Å; L392-D395 PolarHBondContact N-OD2 3.22Å; L392-D395 PolarHBondContact O-N 3.05Å; L392-R396 PolarHBondContact O-N 3.4Å
393	K	96.5	Very high	93.4	Very high	159 Å²	159	111.5 Å²	111.5	69%	0.691	56%	0.558	S	S	*	*	H	α-helix	trans	-48.8	-45.6	177.9	-177.7	176	178.9	177.6	0	113.1	D395 R396 I397	K393-D395 VanDerWaalsContact C-N 3.3Å; K393-D395 PolarHBondContact O-N 2.92Å; K393-R396 PolarHBondContact O-N 2.98Å; K393-I397 HydrophobicContact CG-CD1 3.88Å; K393-I397 WeakPolarHBondContact O-CG1 3.49Å; K393-I397 PolarHBondContact O-N 3.29Å
394	K	95.9	Very high	93.3	Very high	144 Å²	144	110 Å²	110	63%	0.626	55%	0.553	S	S	*	*	H	α-helix	trans	-63.3	-33.5	178.7	63.8	174.7	-173.2	168	0	113.4	L392 A398	L392-K394 VanDerWaalsContact C-N 3.26Å; L392-K394 HydrophobicContact CB-CG 4.24Å; L392-K394 PolarHBondContact O-N 3.34Å; L392-K394 VanDerWaalsContact O-N 3.17Å; K394-A398 WeakPolarHBondContact O-CB 3.44Å; K394-A398 PolarHBondContact O-N 3.43Å
395	D	93.3	Very high	93.1	Very high	56 Å²	56	111.7 Å²	111.7	30%	0.299	56%	0.563	S	S	.	*	H	α-helix	trans	-78.1	-31.5	-178.4	-52.8	-43.1	0	0	0	109.4	L392 K393 K399	L392-D395 WeakPolarHBondContact CB-OD2 3.45Å; L392-D395 PolarHBondContact N-OD2 3.22Å; L392-D395 PolarHBondContact O-N 3.05Å; K393-D395 VanDerWaalsContact C-N 3.3Å; K393-D395 PolarHBondContact O-N 2.92Å; D395-K399 WeakPolarHBondContact O-CG 3.36Å; D395-K399 PolarHBondContact O-N 3.17Å
396	R	93.3	Very high	92.8	Very high	147 Å²	147	113.1 Å²	113.1	56%	0.555	57%	0.574	S	S	*	*	H	α-helix	trans	-67.1	-50	171.9	-160.2	-172.7	73.6	-166.4	-1.8	111.6	L392 K393 A398 K399 E400	L392-R396 PolarHBondContact O-N 3.4Å; K393-R396 PolarHBondContact O-N 2.98Å; R396-A398 VanDerWaalsContact C-N 3.34Å; R396-A398 PolarHBondContact O-N 3.11Å; R396-K399 WeakPolarHBondContact O-CB 3.45Å; R396-K399 PolarHBondContact O-N 2.92Å; R396-K399 VanDerWaalsContact O-N 3.1Å; R396-E400 WeakPolarHBondContact CD-OE1 3.45Å; R396-E400 WeakPolarHBondContact CG-OE1 3.33Å; R396-E400 IonicContact CZ-OE1 3.2Å; R396-E400 IonicContact NE-OE1 2.8Å; R396-E400 PolarHBondContact NE-OE1 3.24Å; R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 2.86Å
397	I	96.1	Very high	92.6	Very high	59 Å²	59	111.8 Å²	111.8	30%	0.303	57%	0.573	S	S	.	*	H	α-helix	trans	-58.3	-46.4	176.8	-66.9	167.6	0	0	0	110.7	K393 K399 E400 E401	K393-I397 HydrophobicContact CG-CD1 3.88Å; K393-I397 WeakPolarHBondContact O-CG1 3.49Å; K393-I397 PolarHBondContact O-N 3.29Å; I397-K399 PolarHBondContact O-N 3.15Å; I397-E400 WeakPolarHBondContact O-CB 3.35Å; I397-E400 PolarHBondContact O-N 3.1Å; I397-E400 VanDerWaalsContact O-N 3.11Å; I397-E401 HydrophobicContact CG2-CG 4.34Å; I397-E401 WeakPolarHBondContact O-CG 3.32Å; I397-E401 PolarHBondContact O-N 3.03Å
398	A	94.2	Very high	92.4	Very high	47 Å²	47	110.4 Å²	110.4	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-62.2	-29.6	178.5	0	0	0	0	0	113.3	K394 R396 T402	K394-A398 WeakPolarHBondContact O-CB 3.44Å; K394-A398 PolarHBondContact O-N 3.43Å; R396-A398 VanDerWaalsContact C-N 3.34Å; R396-A398 PolarHBondContact O-N 3.11Å; A398-T402 WeakPolarHBondContact O-CG2 3.34Å; A398-T402 PolarHBondContact O-N 3.18Å; A398-T402 PolarHBondContact O-OG1 2.96Å
399	K	93.6	Very high	92	Very high	143 Å²	143	107.2 Å²	107.2	62%	0.622	56%	0.555	S	S	*	*	H	α-helix	trans	-73.2	-43.7	172.7	-75.1	176.4	179.8	-171.7	0	111.5	D395 R396 I397 E401 T402 V403	D395-K399 WeakPolarHBondContact O-CG 3.36Å; D395-K399 PolarHBondContact O-N 3.17Å; R396-K399 WeakPolarHBondContact O-CB 3.45Å; R396-K399 PolarHBondContact O-N 2.92Å; R396-K399 VanDerWaalsContact O-N 3.1Å; I397-K399 PolarHBondContact O-N 3.15Å; K399-E401 PolarHBondContact O-N 3.46Å; K399-T402 WeakPolarHBondContact CA-OG1 3.39Å; K399-T402 PolarHBondContact O-N 2.97Å; K399-T402 PolarHBondContact O-OG1 3.3Å; K399-V403 WeakPolarHBondContact O-CG2 3.46Å; K399-V403 PolarHBondContact O-N 3.38Å
400	E	94	Very high	91.6	Very high	106 Å²	106	108.4 Å²	108.4	50%	0.495	56%	0.563	S	S	.	*	H	α-helix	trans	-60.8	-31.6	176.1	-69	163.6	-167.3	0	0	111.9	R396 I397	R396-E400 WeakPolarHBondContact CD-OE1 3.45Å; R396-E400 WeakPolarHBondContact CG-OE1 3.33Å; R396-E400 IonicContact CZ-OE1 3.2Å; R396-E400 IonicContact NE-OE1 2.8Å; R396-E400 PolarHBondContact NE-OE1 3.24Å; R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 2.86Å; I397-E400 WeakPolarHBondContact O-CB 3.35Å; I397-E400 PolarHBondContact O-N 3.1Å; I397-E400 VanDerWaalsContact O-N 3.11Å
401	E	92.3	Very high	91.2	Very high	153 Å²	153	114.5 Å²	114.5	72%	0.715	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-19.2	176.3	-72.3	174.1	176.2	0	0	114.3	I397 K399	I397-E401 HydrophobicContact CG2-CG 4.34Å; I397-E401 WeakPolarHBondContact O-CG 3.32Å; I397-E401 PolarHBondContact O-N 3.03Å; K399-E401 PolarHBondContact O-N 3.46Å
402	T	83.8	Confident	90.9	Very high	120 Å²	120	114.3 Å²	114.3	74%	0.736	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-10.2	179.4	50.6	0	0	0	0	114	A398 K399	A398-T402 WeakPolarHBondContact O-CG2 3.34Å; A398-T402 PolarHBondContact O-N 3.18Å; A398-T402 PolarHBondContact O-OG1 2.96Å; K399-T402 WeakPolarHBondContact CA-OG1 3.39Å; K399-T402 PolarHBondContact O-N 2.97Å; K399-T402 PolarHBondContact O-OG1 3.3Å
403	V	61.6	Low	90.4	Very high	178 Å²	178	119.3 Å²	119.3	100%	1.079	59%	0.592	S	S	*	*			trans	-92.5	0	169.2	177	0	0	0	0	107.5	K399	K399-V403 WeakPolarHBondContact O-CG2 3.46Å; K399-V403 PolarHBondContact O-N 3.38Å

Retrieved 403 of 403 residues in 409.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).