A0A087XFT0_POEFO Loading...

Carbonic anhydrase-related protein

Does not have a carbonic anhydrase catalytic activity.

AlphaFold DB , UniProt , Accession A0A087XFT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 281 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	34.4	Very low	245 Å²	245	159 Å²	159	100%	1.207	85%	0.847	S	S	*	*				0	101.2	0	-70.8	175.5	-175.7	0	0	105.7
2	A	31.9	Very low	34.3	Very low	100 Å²	100	155.8 Å²	155.8	83%	0.826	84%	0.838	S	S	*	*			trans	-138.7	117.9	172.4	0	0	0	0	0	104.6
3	D	31.6	Very low	34.3	Very low	154 Å²	154	152 Å²	152	82%	0.824	83%	0.826	S	S	*	*			trans	-70	125.6	-168.3	-62.3	-52.9	0	0	0	111	V5	D3-V5 PolarHBondContact O-N 3.09Å
4	N	31.7	Very low	34.3	Very low	164 Å²	164	145.8 Å²	145.8	88%	0.877	82%	0.815	S	S	*	*			trans	-81.3	107.8	165.6	-104.3	-3.4	0	0	0	107.5	N6	N4-N6 PolarHBondContact O-N 3.43Å
5	V	34.6	Very low	34.2	Very low	127 Å²	127	148.8 Å²	148.8	77%	0.77	82%	0.816	S	S	*	*			trans	-70.8	115.6	168.8	-179.7	0	0	0	0	107.3	D3 E7	D3-V5 PolarHBondContact O-N 3.09Å; V5-E7 PolarHBondContact O-N 3.38Å
6	N	32.7	Very low	34.4	Very low	148 Å²	148	149.8 Å²	149.8	79%	0.791	82%	0.82	S	S	*	*			trans	-62.5	114.8	165.6	-88.6	-18.4	0	0	0	108	N4 E8	N4-N6 PolarHBondContact O-N 3.43Å; N6-E8 PolarHBondContact O-N 2.76Å; N6-E8 VanDerWaalsContact O-N 3.11Å
7	E	34.6	Very low	35.6	Very low	191 Å²	191	151.2 Å²	151.2	89%	0.893	82%	0.82	S	S	*	*			trans	-73.1	94.9	161.2	-76.2	179.7	165.9	0	0	107.5	V5 S9	V5-E7 PolarHBondContact O-N 3.38Å; E7-S9 PolarHBondContact O-N 2.75Å
8	E	35.6	Very low	37.7	Very low	168 Å²	168	147.4 Å²	147.4	79%	0.785	80%	0.798	S	S	*	*			trans	-59.9	116.3	158	-76.5	178.5	156.2	0	0	107.1	N6 D10	N6-E8 PolarHBondContact O-N 2.76Å; N6-E8 VanDerWaalsContact O-N 3.11Å; E8-D10 PolarHBondContact O-N 3.15Å
9	S	36.1	Very low	39.8	Very low	120 Å²	120	146.3 Å²	146.3	84%	0.839	79%	0.791	S	S	*	*			trans	-69.5	97.4	174.1	61	0	0	0	0	108.6	E7 Y11	E7-S9 PolarHBondContact O-N 2.75Å; S9-Y11 PolarHBondContact O-N 3Å; S9-Y11 VanDerWaalsContact O-N 3.15Å
10	D	33.7	Very low	42.4	Very low	143 Å²	143	141.5 Å²	141.5	77%	0.765	76%	0.761	S	S	*	*			trans	-58.3	114.3	172.8	-81.2	-35.3	0	0	0	110.1	E8 V12	E8-D10 PolarHBondContact O-N 3.15Å; D10-V12 PolarHBondContact O-N 3.2Å
11	Y	37.2	Very low	44.6	Very low	189 Å²	189	136.2 Å²	136.2	74%	0.741	74%	0.74	S	S	*	*			trans	-59.9	114.6	164.4	173.1	-96.4	0	0	0	108.3	S9 P13	S9-Y11 PolarHBondContact O-N 3Å; S9-Y11 VanDerWaalsContact O-N 3.15Å; Y11-P13 HydrophobicContact CD1-CB 4.39Å; Y11-P13 HydrophobicContact CD1-CG 4.15Å; Y11-P13 HydrophobicContact CE1-CB 3.87Å; Y11-P13 HydrophobicContact CE1-CG 4.11Å; Y11-P13 VanDerWaalsContact O-CD 3.31Å; Y11-P13 WeakPolarHBondContact O-CD 3.23Å
12	V	32.7	Very low	47	Very low	121 Å²	121	127.1 Å²	127.1	73%	0.733	69%	0.693	S	S	*	*			trans	-86	109.4	173	-178.5	0	0	0	0	107.9	D10 G14	D10-V12 PolarHBondContact O-N 3.2Å; V12-G14 PolarHBondContact O-N 2.94Å
13	P	35.5	Very low	49.5	Very low	106 Å²	106	125.3 Å²	125.3	69%	0.688	67%	0.667	S	S	*	*			trans	-76.5	106.3	173.8	5.1	13.1	0	0	0	107.3	Y11	Y11-P13 HydrophobicContact CD1-CB 4.39Å; Y11-P13 HydrophobicContact CD1-CG 4.15Å; Y11-P13 HydrophobicContact CE1-CB 3.87Å; Y11-P13 HydrophobicContact CE1-CG 4.11Å; Y11-P13 VanDerWaalsContact O-CD 3.31Å; Y11-P13 WeakPolarHBondContact O-CD 3.23Å
14	G	33.6	Very low	51.5	Low	65 Å²	65	125.8 Å²	125.8	67%	0.67	67%	0.665	S	S	*	*			trans	-150.9	45.7	-166.1	0	0	0	0	0	114.4	V12	V12-G14 PolarHBondContact O-N 2.94Å
15	K	32.8	Very low	53.3	Low	191 Å²	191	121.3 Å²	121.3	83%	0.83	66%	0.657	S	S	*	*	S	Bend	trans	-172.5	130.7	151.1	-103.3	175.1	-176.1	178.7	0	104	E17	K15-E17 PolarHBondContact O-N 3.31Å
16	D	37.7	Very low	55.4	Low	165 Å²	165	119 Å²	119	88%	0.882	64%	0.643	S	S	*	*			trans	-59.5	88.7	169	-67.5	-44.1	0	0	0	107.5	L18	D16-L18 VanDerWaalsContact C-N 3.34Å; D16-L18 PolarHBondContact O-N 2.87Å
17	E	54.6	Low	58	Low	174 Å²	174	119.2 Å²	119.2	81%	0.813	64%	0.639	S	S	*	*			trans	-63.5	105.1	165.7	-79.7	-170.5	163	0	0	105	K15 D19	K15-E17 PolarHBondContact O-N 3.31Å; E17-D19 PolarHBondContact O-N 3.07Å
18	L	73.1	Confident	60.8	Low	83 Å²	83	111.8 Å²	111.8	44%	0.435	60%	0.603	S	S	.	*			trans	-52	110.8	175.2	-78	153.2	0	0	0	107.9	D16 H31 F32	D16-L18 VanDerWaalsContact C-N 3.34Å; D16-L18 PolarHBondContact O-N 2.87Å; L18-H31 HydrophobicContact CD1-CB 4.07Å; L18-F32 HydrophobicContact CB-CZ 4.19Å
19	D	78.5	Confident	63.6	Low	125 Å²	125	104.4 Å²	104.4	67%	0.668	57%	0.572	S	S	*	*			trans	-65.1	136.3	-177.2	-161.6	26.2	0	0	0	109.3	E17 K183	E17-D19 PolarHBondContact O-N 3.07Å; D19-K183 IonicContact OD1-NZ 3.82Å
20	W	90.3	Very high	66.2	Low	50 Å²	50	104.6 Å²	104.6	19%	0.189	56%	0.563	C	S	.	*			trans	-141	154.7	-178.8	65	-89.2	0	0	0	109.7	Y22 W28 F32 H78 T215 P216	W20-Y22 HydrophobicContact CH2-CE2 4.4Å; W20-Y22 HydrophobicContact CZ3-CE1 4.45Å; W20-Y22 AromaticContact CZ3-CE2 3.82Å; W20-Y22 HydrophobicContact CZ3-CE2 3.82Å; W20-Y22 AromaticContact CZ3-CZ 3.78Å; W20-W28 AromaticContact CE3-CZ2 3.83Å; W20-W28 HydrophobicContact CE3-CZ2 3.83Å; W20-W28 HydrophobicContact CZ3-CH2 4.35Å; W20-W28 AromaticContact CZ3-CZ2 3.98Å; W20-W28 HydrophobicContact CZ3-CZ2 3.98Å; W20-F32 HydrophobicContact CB-CE2 4.11Å; W20-F32 AromaticContact CD1-CZ 3.99Å; W20-F32 HydrophobicContact CG-CE2 4.31Å; W20-H78 AromaticContact CE2-CE1 3.93Å; W20-H78 AromaticContact CE2-ND1 3.92Å; W20-H78 HydrophobicContact CH2-CB 3.57Å; W20-H78 AromaticContact CH2-CG 3.58Å; W20-H78 AromaticContact CH2-ND1 3.78Å; W20-H78 HydrophobicContact CZ2-CB 3.99Å; W20-H78 AromaticContact CZ2-CD2 3.82Å; W20-H78 AromaticContact CZ2-CG 3.57Å; W20-H78 AromaticContact CZ2-ND1 3.8Å; W20-H78 HydrophobicContact CZ3-CB 4.22Å; W20-H78 AromaticContact CZ3-ND1 3.9Å; W20-H78 PolarHBondContact O-CE1 3.15Å; W20-H78 PolarHBondContact O-ND1 2.77Å; W20-T215 HydrophobicContact CH2-CG2 3.73Å; W20-T215 HydrophobicContact CZ3-CG2 4.33Å; W20-P216 HydrophobicContact CB-CG 4.4Å; W20-P216 HydrophobicContact CD2-CB 4.39Å; W20-P216 HydrophobicContact CD2-CG 3.67Å; W20-P216 HydrophobicContact CE3-CG 4.03Å; W20-P216 HydrophobicContact CG-CB 4.4Å; W20-P216 HydrophobicContact CG-CG 3.81Å
21	G	89.5	Confident	69	Low	31 Å²	31	101.5 Å²	101.5	32%	0.32	54%	0.544	S	S	.	.			trans	-157	-172.3	-179.3	0	0	0	0	0	112.3	W28	G21-W28 PolarHBondContact O-NE1 3.18Å; G21-W28 VanDerWaalsContact O-NE1 3.07Å
22	Y	88.8	Confident	71.7	Confident	55 Å²	55	94.4 Å²	94.4	22%	0.216	52%	0.517	C	S	.	.	S	Bend	trans	-106.3	-8.1	178.9	-58.9	-85.1	0	0	0	113	W20 W28 H78 T215 N264	W20-Y22 HydrophobicContact CH2-CE2 4.4Å; W20-Y22 HydrophobicContact CZ3-CE1 4.45Å; W20-Y22 AromaticContact CZ3-CE2 3.82Å; W20-Y22 HydrophobicContact CZ3-CE2 3.82Å; W20-Y22 AromaticContact CZ3-CZ 3.78Å; Y22-W28 HydrophobicContact CD1-CH2 4.26Å; Y22-W28 HydrophobicContact CD1-CZ2 4.06Å; Y22-W28 AromaticContact CE1-CH2 3.81Å; Y22-W28 HydrophobicContact CE1-CH2 3.81Å; Y22-W28 AromaticContact CE1-CZ2 3.97Å; Y22-W28 HydrophobicContact CE1-CZ2 3.97Å; Y22-H78 HydrophobicContact CE2-CB 4.33Å; Y22-T215 WeakPolarHBondContact OH-CG2 3.4Å; Y22-N264 HydrophobicContact CD2-CB 3.7Å; Y22-N264 VanDerWaalsContact CE1-C 3.43Å; Y22-N264 WeakPolarHBondContact CE1-O 3.26Å; Y22-N264 HydrophobicContact CE2-CB 3.64Å; Y22-N264 HydrophobicContact CG-CB 4.29Å; Y22-N264 VanDerWaalsContact CZ-O 3.28Å; Y22-N264 PolarHBondContact OH-O 3.4Å
23	E	83.6	Confident	74.7	Confident	61 Å²	61	93.2 Å²	93.2	29%	0.285	51%	0.512	S	S	.	.	S	Bend	trans	-96.6	-161.5	172.7	-59.6	-167.2	160.7	0	0	109.8	G25 K112 N257	E23-G25 PolarHBondContact O-N 3.08Å; E23-K112 IonicContact OE1-NZ 3.15Å; E23-K112 PolarHBondContact OE1-NZ 2.8Å; E23-N257 VanDerWaalsContact OE2-CA 3.23Å; E23-N257 WeakPolarHBondContact OE2-CA 3.31Å; E23-N257 WeakPolarHBondContact OE2-CB 2.89Å; E23-N257 PolarHBondContact OE2-ND2 3.38Å; E23-N257 VanDerWaalsContact OE2-ND2 3.15Å; E23-N257 PolarHBondContact OE2-OD1 3.28Å; E23-N257 VanDerWaalsContact OE2-OD1 3.07Å
24	E	74.6	Confident	77.5	Confident	165 Å²	165	90.2 Å²	90.2	77%	0.771	50%	0.496	S	S	*	.	S	Bend	trans	-53.7	131.5	178.9	-71	-168.2	174.1	0	0	111.8
25	G	68.7	Low	80.6	Confident	69 Å²	69	87.5 Å²	87.5	71%	0.711	47%	0.467	S	S	*	.			trans	178.2	179.3	-175	0	0	0	0	0	111.7	E23	E23-G25 PolarHBondContact O-N 3.08Å
26	V	78.9	Confident	83.6	Confident	79 Å²	79	83.8 Å²	83.8	48%	0.479	46%	0.456	S	S	.	.			trans	-72.8	139.2	177	-174.7	0	0	0	0	109.6	W28 L30	V26-W28 PolarHBondContact O-N 3.21Å; V26-L30 HydrophobicContact CG1-CB 3.9Å; V26-L30 HydrophobicContact CG1-CD1 3.53Å; V26-L30 HydrophobicContact CG1-CG 4.29Å
27	E	88.5	Confident	86.5	Confident	153 Å²	153	77.3 Å²	77.3	72%	0.715	43%	0.429	S	S	*	.			trans	-53.5	125.3	171.1	-68.5	-174.6	171.4	0	0	110.2	G29 L30	E27-G29 PolarHBondContact O-N 3.41Å; E27-L30 HydrophobicContact CB-CD1 4.2Å; E27-L30 HydrophobicContact CB-CG 4.37Å; E27-L30 WeakPolarHBondContact O-CB 3.14Å; E27-L30 PolarHBondContact O-N 3.3Å
28	W	93.5	Very high	88.5	Confident	35 Å²	35	74.7 Å²	74.7	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-55.5	-34.6	-171.5	-61.5	-9.1	0	0	0	112.7	W20 G21 Y22 V26 L30 H31 F32 A35 T214 P216 R266	W20-W28 AromaticContact CE3-CZ2 3.83Å; W20-W28 HydrophobicContact CE3-CZ2 3.83Å; W20-W28 HydrophobicContact CZ3-CH2 4.35Å; W20-W28 AromaticContact CZ3-CZ2 3.98Å; W20-W28 HydrophobicContact CZ3-CZ2 3.98Å; G21-W28 PolarHBondContact O-NE1 3.18Å; G21-W28 VanDerWaalsContact O-NE1 3.07Å; Y22-W28 HydrophobicContact CD1-CH2 4.26Å; Y22-W28 HydrophobicContact CD1-CZ2 4.06Å; Y22-W28 AromaticContact CE1-CH2 3.81Å; Y22-W28 HydrophobicContact CE1-CH2 3.81Å; Y22-W28 AromaticContact CE1-CZ2 3.97Å; Y22-W28 HydrophobicContact CE1-CZ2 3.97Å; V26-W28 PolarHBondContact O-N 3.21Å; W28-L30 PolarHBondContact O-N 3.3Å; W28-L30 VanDerWaalsContact O-N 3.12Å; W28-H31 PolarHBondContact O-N 2.91Å; W28-H31 VanDerWaalsContact O-N 3.1Å; W28-F32 HydrophobicContact CB-CD2 4.22Å; W28-F32 WeakPolarHBondContact O-CA 3.21Å; W28-F32 WeakPolarHBondContact O-CB 3.48Å; W28-F32 WeakPolarHBondContact O-CD2 3.1Å; W28-F32 PolarHBondContact O-N 3.22Å; W28-A35 HydrophobicContact CB-CB 4.25Å; W28-T214 VanDerWaalsContact CZ3-O 3.23Å; W28-T214 WeakPolarHBondContact CZ3-O 3.49Å; W28-P216 HydrophobicContact CD2-CG 3.95Å; W28-P216 HydrophobicContact CE3-CG 4.1Å; W28-P216 HydrophobicContact CG-CG 4.16Å; W28-R266 HydrophobicContact CE3-CG 4.44Å; W28-R266 HydrophobicContact CH2-CB 4Å; W28-R266 HydrophobicContact CH2-CG 3.95Å; W28-R266 HydrophobicContact CZ3-CB 4.04Å; W28-R266 HydrophobicContact CZ3-CG 3.6Å
29	G	92.7	Very high	89.7	Confident	13 Å²	13	74.6 Å²	74.6	13%	0.134	41%	0.411	C	S	.	.	H	α-helix	trans	-59.2	-20.4	178.3	0	0	0	0	0	115.7	E27 N36	E27-G29 PolarHBondContact O-N 3.41Å; G29-N36 WeakPolarHBondContact CA-ND2 3.43Å; G29-N36 WeakPolarHBondContact CA-OD1 3.4Å; G29-N36 PolarHBondContact O-ND2 2.81Å
30	L	91.8	Very high	90.7	Very high	123 Å²	123	68.8 Å²	68.8	64%	0.644	38%	0.38	S	S	*	.	H	α-helix	trans	-76.1	-30.9	177.1	-65.6	171.8	0	0	0	112.4	V26 E27 W28	V26-L30 HydrophobicContact CG1-CB 3.9Å; V26-L30 HydrophobicContact CG1-CD1 3.53Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; E27-L30 HydrophobicContact CB-CD1 4.2Å; E27-L30 HydrophobicContact CB-CG 4.37Å; E27-L30 WeakPolarHBondContact O-CB 3.14Å; E27-L30 PolarHBondContact O-N 3.3Å; W28-L30 PolarHBondContact O-N 3.3Å; W28-L30 VanDerWaalsContact O-N 3.12Å
31	H	91.9	Very high	91.1	Very high	78 Å²	78	66.4 Å²	66.4	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-106.2	-27.2	-178.8	-71.4	-51.8	0	0	0	113.2	L18 W28 P33	L18-H31 HydrophobicContact CD1-CB 4.07Å; W28-H31 PolarHBondContact O-N 2.91Å; W28-H31 VanDerWaalsContact O-N 3.1Å; H31-P33 WeakPolarHBondContact O-CD 3.19Å
32	F	94.3	Very high	91.6	Very high	40 Å²	40	65 Å²	65	18%	0.175	36%	0.355	C	S	.	.			trans	-122.8	84.7	-179	-51.9	-75.4	0	0	0	108.3	L18 W20 W28 A34 A35 P216 P217	L18-F32 HydrophobicContact CB-CZ 4.19Å; W20-F32 HydrophobicContact CB-CE2 4.11Å; W20-F32 AromaticContact CD1-CZ 3.99Å; W20-F32 HydrophobicContact CG-CE2 4.31Å; W28-F32 HydrophobicContact CB-CD2 4.22Å; W28-F32 WeakPolarHBondContact O-CA 3.21Å; W28-F32 WeakPolarHBondContact O-CB 3.48Å; W28-F32 WeakPolarHBondContact O-CD2 3.1Å; W28-F32 PolarHBondContact O-N 3.22Å; F32-A34 PolarHBondContact O-N 3.33Å; F32-A35 WeakPolarHBondContact O-CB 3.48Å; F32-A35 PolarHBondContact O-N 3.29Å; F32-P216 HydrophobicContact CD1-CB 3.83Å; F32-P216 HydrophobicContact CD2-CB 3.65Å; F32-P216 HydrophobicContact CD2-CG 3.71Å; F32-P216 HydrophobicContact CE1-CB 3.83Å; F32-P216 HydrophobicContact CE2-CB 3.66Å; F32-P216 HydrophobicContact CE2-CG 3.74Å; F32-P216 HydrophobicContact CG-CB 3.73Å; F32-P216 HydrophobicContact CG-CG 4.24Å; F32-P216 HydrophobicContact CZ-CB 3.75Å; F32-P216 HydrophobicContact CZ-CG 4.28Å; F32-P217 HydrophobicContact CD1-CB 4.35Å
33	P	95.2	Very high	92	Very high	97 Å²	97	62.4 Å²	62.4	63%	0.63	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29.4	-171.3	-29.3	36	0	0	0	114.8	H31 A35 N36	H31-P33 WeakPolarHBondContact O-CD 3.19Å; P33-A35 PolarHBondContact O-N 2.79Å; P33-N36 WeakPolarHBondContact O-CB 3.05Å; P33-N36 PolarHBondContact O-N 3.11Å; P33-N36 VanDerWaalsContact O-N 3.08Å; P33-N36 PolarHBondContact O-ND2 3.13Å
34	A	95.7	Very high	92.8	Very high	42 Å²	42	60.9 Å²	60.9	35%	0.347	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	176	0	0	0	0	0	113.2	F32 N36 G37 Q40 P217	F32-A34 PolarHBondContact O-N 3.33Å; A34-N36 PolarHBondContact O-N 2.81Å; A34-G37 PolarHBondContact O-N 2.81Å; A34-Q40 PolarHBondContact O-NE2 3.16Å; A34-P217 WeakPolarHBondContact CB-O 3.46Å
35	A	97.2	Very high	93.9	Very high	8 Å²	8	53 Å²	53	7%	0.066	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-66.5	-16.4	172.2	0	0	0	0	0	113.4	W28 F32 P33 G37 Q40 C218 R266	W28-A35 HydrophobicContact CB-CB 4.25Å; F32-A35 WeakPolarHBondContact O-CB 3.48Å; F32-A35 PolarHBondContact O-N 3.29Å; P33-A35 PolarHBondContact O-N 2.79Å; A35-G37 VanDerWaalsContact C-N 3.31Å; A35-Q40 PolarHBondContact O-OE1 2.97Å; A35-C218 HydrophobicContact CB-CB 3.68Å; A35-R266 PolarHBondContact O-NH2 2.91Å
36	N	97.3	Very high	95.3	Very high	114 Å²	114	51.6 Å²	51.6	61%	0.61	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-91.1	11.1	173	-54.5	-49.9	0	0	0	112.9	G29 P33 A34	G29-N36 WeakPolarHBondContact CA-ND2 3.43Å; G29-N36 WeakPolarHBondContact CA-OD1 3.4Å; G29-N36 PolarHBondContact O-ND2 2.81Å; P33-N36 WeakPolarHBondContact O-CB 3.05Å; P33-N36 PolarHBondContact O-N 3.11Å; P33-N36 VanDerWaalsContact O-N 3.08Å; P33-N36 PolarHBondContact O-ND2 3.13Å; A34-N36 PolarHBondContact O-N 2.81Å
37	G	97.3	Very high	96.1	Very high	29 Å²	29	49.8 Å²	49.8	30%	0.299	27%	0.27	S	S	.	.			trans	-63.8	165.2	176.5	0	0	0	0	0	112.9	A34 A35 Q40 E220	A34-G37 PolarHBondContact O-N 2.81Å; A35-G37 VanDerWaalsContact C-N 3.31Å; G37-Q40 VanDerWaalsContact O-CG 3.25Å; G37-Q40 WeakPolarHBondContact O-CG 3.39Å; G37-E220 WeakPolarHBondContact CA-OE1 3.2Å
38	E	98.1	Very high	96.5	Very high	119 Å²	119	53.5 Å²	53.5	56%	0.556	28%	0.277	S	S	*	.	S	Bend	trans	-83.5	-23.6	-176.7	-173	170	-177.9	0	0	112.8	E220 S272	E38-E220 PolarHBondContact N-OE1 2.84Å; E38-S272 PolarHBondContact O-OG 3.03Å
39	Y	98.4	Very high	96.7	Very high	80 Å²	80	57.7 Å²	57.7	31%	0.314	30%	0.298	S	S	.	.	S	Bend	trans	-114.8	48.9	-171.4	-55.1	-48.5	0	0	0	111.6	G211 S212 E220 D273 R274	Y39-G211 CarbonylContact O-C 3.58Å; Y39-G211 VanDerWaalsContact O-C 3.23Å; Y39-G211 VanDerWaalsContact O-CA 3.25Å; Y39-G211 WeakPolarHBondContact O-CA 3.39Å; Y39-S212 PolarHBondContact O-N 3.27Å; Y39-E220 WeakPolarHBondContact CA-OE1 3.28Å; Y39-E220 PolarHBondContact N-OE1 3.11Å; Y39-D273 WeakPolarHBondContact CE1-OD1 3.46Å; Y39-D273 PolarHBondContact OH-OD1 3.46Å; Y39-R274 VanDerWaalsContact C-NH1 3.29Å; Y39-R274 HydrophobicContact CD1-CG 3.6Å; Y39-R274 HydrophobicContact CE1-CG 4Å; Y39-R274 HydrophobicContact CG-CG 4.46Å; Y39-R274 PolarHBondContact O-NH1 3.15Å
40	Q	98.8	Very high	96.9	Very high	4 Å²	4	58 Å²	58	2%	0.019	30%	0.299	C	S	.	.			trans	-79.8	157.7	-177.2	-65	-69.3	-65.2	0	0	113.1	A34 A35 G37 S212 C218 E220 R266 Q269 R274	A34-Q40 PolarHBondContact O-NE2 3.16Å; A35-Q40 PolarHBondContact O-OE1 2.97Å; G37-Q40 VanDerWaalsContact O-CG 3.25Å; G37-Q40 WeakPolarHBondContact O-CG 3.39Å; Q40-S212 WeakPolarHBondContact CA-OG 3.36Å; Q40-S212 PolarHBondContact OE1-OG 3.3Å; Q40-C218 PolarHBondContact NE2-O 3.35Å; Q40-E220 VanDerWaalsContact NE2-CG 3.34Å; Q40-E220 PolarHBondContact NE2-OE1 3.33Å; Q40-R266 VanDerWaalsContact OE1-NH2 3.09Å; Q40-Q269 HydrophobicContact CB-CB 3.87Å; Q40-Q269 HydrophobicContact CB-CG 3.71Å; Q40-R274 PolarHBondContact O-NH1 3.33Å; Q40-R274 PolarHBondContact O-NH2 2.9Å
41	S	98.9	Very high	97.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-121.5	156.4	174.9	-65.1	0	0	0	0	110.4	Y209 G211 S212 W224 R266	S41-Y209 VanDerWaalsContact CB-OH 3.28Å; S41-Y209 WeakPolarHBondContact CB-OH 3.42Å; S41-Y209 PolarHBondContact OG-OH 3.42Å; S41-G211 WeakPolarHBondContact OG-CA 3.48Å; S41-S212 VanDerWaalsContact CB-O 3.31Å; S41-S212 WeakPolarHBondContact CB-O 3.49Å; S41-S212 PolarHBondContact N-OG 3.4Å; S41-S212 PolarHBondContact OG-N 3.12Å; S41-S212 PolarHBondContact OG-O 3.08Å; S41-W224 PolarHBondContact OG-NE1 3.37Å; S41-W224 VanDerWaalsContact OG-NE1 3.1Å; S41-R266 VanDerWaalsContact O-CD 3.31Å; S41-R266 WeakPolarHBondContact O-CD 3.2Å; S41-R266 PolarHBondContact O-NH1 3.06Å
42	P	98.8	Very high	97.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.			cis	-80.3	176.1	1.1	35.9	-39.2	0	0	0	112.5	E119 T214 R266 T268 Q269	P42-E119 VanDerWaalsContact CB-C 3.43Å; P42-E119 HydrophobicContact CB-CB 3.77Å; P42-E119 WeakPolarHBondContact CB-O 3.48Å; P42-E119 HydrophobicContact CG-CB 3.78Å; P42-E119 WeakPolarHBondContact CG-O 3.46Å; P42-T214 HydrophobicContact CB-CG2 4.28Å; P42-R266 WeakPolarHBondContact CG-O 3.47Å; P42-T268 CarbonylContact O-C 3.59Å; P42-T268 WeakPolarHBondContact O-CA 3.26Å; P42-Q269 WeakPolarHBondContact O-CB 3.47Å; P42-Q269 PolarHBondContact O-N 3.19Å
43	I	98.9	Very high	97.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.292	C	S	.	.			trans	-128.9	160.6	175.5	61.6	169.1	0	0	0	111.7	H120 T121 Y209 L271 I276	I43-H120 PolarHBondContact N-CD2 3.39Å; I43-T121 PolarHBondContact O-N 3.35Å; I43-Y209 HydrophobicContact CD1-CD1 3.92Å; I43-Y209 HydrophobicContact CD1-CD2 3.9Å; I43-Y209 HydrophobicContact CD1-CE1 3.89Å; I43-Y209 HydrophobicContact CD1-CE2 3.91Å; I43-Y209 HydrophobicContact CD1-CG 3.93Å; I43-Y209 HydrophobicContact CG1-CD1 4.46Å; I43-Y209 HydrophobicContact CG1-CE1 3.93Å; I43-Y209 HydrophobicContact CG1-CE2 4.14Å; I43-Y209 HydrophobicContact CG2-CE2 4.22Å; I43-L271 HydrophobicContact CD1-CD1 3.76Å; I43-I276 HydrophobicContact CD1-CD1 3.61Å; I43-I276 HydrophobicContact CD1-CG1 4.05Å
44	N	98.8	Very high	97.9	Very high	29 Å²	29	56.1 Å²	56.1	16%	0.155	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.9	157.4	169.1	61.3	0	0	0	109.5	T121 F124	N44-T121 WeakPolarHBondContact CA-OG1 3.44Å; N44-T121 WeakPolarHBondContact CB-OG1 3.37Å; N44-T121 PolarHBondContact OD1-OG1 3.07Å; N44-F124 HydrophobicContact CB-CD1 4.25Å; N44-F124 HydrophobicContact CB-CE1 4.13Å; N44-F124 VanDerWaalsContact ND2-CE1 3.31Å; N44-F124 WeakPolarHBondContact ND2-CE1 3.31Å; N44-F124 VanDerWaalsContact ND2-CZ 3.31Å; N44-F124 WeakPolarHBondContact ND2-CZ 3.46Å; N44-F124 WeakPolarHBondContact OD1-CA 3.32Å; N44-F124 PolarHBondContact OD1-N 2.92Å
45	L	98.6	Very high	98	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	108.8	176.4	-169.7	150.3	0	0	0	109.7	S47 T121 V122 N123 W207 L226 I276	L45-S47 PolarHBondContact O-N 2.73Å; L45-T121 PolarHBondContact N-O 3.07Å; L45-V122 HydrophobicContact CD2-CG1 4.32Å; L45-V122 CarbonylContact O-C 3.23Å; L45-V122 WeakPolarHBondContact O-CA 3.48Å; L45-N123 PolarHBondContact O-N 2.71Å; L45-W207 HydrophobicContact CD1-CB 3.57Å; L45-W207 HydrophobicContact CD1-CD2 3.57Å; L45-W207 HydrophobicContact CD1-CE3 3.77Å; L45-W207 HydrophobicContact CD1-CG 3.51Å; L45-W207 HydrophobicContact CD2-CD2 3.69Å; L45-W207 HydrophobicContact CD2-CE3 4.12Å; L45-W207 HydrophobicContact CD2-CG 4.09Å; L45-W207 HydrophobicContact CD2-CH2 4.21Å; L45-W207 HydrophobicContact CD2-CZ2 3.79Å; L45-W207 HydrophobicContact CD2-CZ3 4.35Å; L45-W207 HydrophobicContact CG-CD2 4.3Å; L45-W207 HydrophobicContact CG-CG 4.38Å; L45-L226 HydrophobicContact CD1-CD2 4.47Å; L45-I276 HydrophobicContact CB-CD1 4.38Å; L45-I276 HydrophobicContact CD1-CD1 4.47Å; L45-I276 HydrophobicContact CD1-CG2 3.94Å; L45-I276 HydrophobicContact CG-CD1 3.94Å; L45-I276 HydrophobicContact CG-CG2 4.19Å
46	N	98.1	Very high	98	Very high	39 Å²	39	56.3 Å²	56.3	21%	0.209	28%	0.282	C	S	.	.			trans	-82	104.4	167.5	-174.2	-13.7	0	0	0	109.4	R48 E49 A50	N46-R48 PolarHBondContact O-N 3.28Å; N46-R48 VanDerWaalsContact O-N 3.07Å; N46-R48 PolarHBondContact OD1-N 3.07Å; N46-R48 VanDerWaalsContact OD1-N 3.12Å; N46-E49 HydrophobicContact CB-CB 4.16Å; N46-E49 HydrophobicContact CB-CG 4.18Å; N46-E49 PolarHBondContact ND2-OE1 3.04Å; N46-E49 PolarHBondContact O-N 3.21Å; N46-A50 PolarHBondContact O-N 2.91Å
47	S	96.1	Very high	98	Very high	42 Å²	42	55.1 Å²	55.1	29%	0.294	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.4	-176.1	56.3	0	0	0	0	113.9	L45 N123	L45-S47 PolarHBondContact O-N 2.73Å; S47-N123 PolarHBondContact N-OD1 2.9Å; S47-N123 PolarHBondContact OG-ND2 2.91Å; S47-N123 PolarHBondContact OG-OD1 2.8Å
48	R	96.3	Very high	97.9	Very high	231 Å²	231	60.5 Å²	60.5	87%	0.872	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-19.4	178.7	-62.3	-178	179.2	-175.1	-0.1	113.4	N46	N46-R48 PolarHBondContact O-N 3.28Å; N46-R48 VanDerWaalsContact O-N 3.07Å; N46-R48 PolarHBondContact OD1-N 3.07Å; N46-R48 VanDerWaalsContact OD1-N 3.12Å
49	E	96.9	Very high	97.7	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-11.1	178.1	-69.2	170.3	-169.6	0	0	112	N46 Q51	N46-E49 HydrophobicContact CB-CB 4.16Å; N46-E49 HydrophobicContact CB-CG 4.18Å; N46-E49 PolarHBondContact ND2-OE1 3.04Å; N46-E49 PolarHBondContact O-N 3.21Å; E49-Q51 PolarHBondContact O-N 2.97Å
50	A	98.1	Very high	97.6	Very high	19 Å²	19	55.7 Å²	55.7	16%	0.157	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62.9	127.6	173.8	0	0	0	0	0	110.3	N46 I276 A278	N46-A50 PolarHBondContact O-N 2.91Å; A50-I276 WeakPolarHBondContact CA-O 3.47Å; A50-I276 HydrophobicContact CB-CG2 4.14Å; A50-A278 HydrophobicContact CB-CB 4.18Å
51	Q	98.5	Very high	97.5	Very high	109 Å²	109	56.8 Å²	56.8	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.2	-177.5	-61.2	-177.2	19.3	0	0	109.3	E49 D53 I275 I276 R277 A278	E49-Q51 PolarHBondContact O-N 2.97Å; Q51-D53 PolarHBondContact O-N 2.96Å; Q51-I275 HydrophobicContact CB-CG2 4.3Å; Q51-I275 HydrophobicContact CG-CG2 4.03Å; Q51-I276 PolarHBondContact N-O 3.08Å; Q51-R277 CarbonylContact O-C 3.5Å; Q51-R277 WeakPolarHBondContact O-CA 3.3Å; Q51-A278 PolarHBondContact O-N 3.27Å
52	Y	98.6	Very high	97.5	Very high	87 Å²	87	59.5 Å²	59.5	34%	0.341	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	123.9	172.8	174.3	-120.1	0	0	0	110	P54 L57 A278 F280 Q281	Y52-P54 HydrophobicContact CE1-CB 3.93Å; Y52-P54 HydrophobicContact CE1-CG 4.31Å; Y52-L57 HydrophobicContact CE2-CD1 4.43Å; Y52-A278 WeakPolarHBondContact CA-O 3.5Å; Y52-A278 WeakPolarHBondContact CD2-O 3.49Å; Y52-F280 WeakPolarHBondContact CD2-O 3.32Å; Y52-Q281 HydrophobicContact CD1-CG 3.64Å; Y52-Q281 HydrophobicContact CD2-CG 3.97Å; Y52-Q281 HydrophobicContact CE1-CG 3.73Å; Y52-Q281 VanDerWaalsContact CE1-NE2 3.27Å; Y52-Q281 HydrophobicContact CE2-CG 4.05Å; Y52-Q281 HydrophobicContact CG-CG 3.75Å
53	D	98.4	Very high	97.4	Very high	31 Å²	31	60.1 Å²	60.1	17%	0.166	33%	0.327	C	S	.	.			trans	-120.4	102.4	177.2	-178.7	-2	0	0	0	109.1	Q51 S55 L56 R277 A278	Q51-D53 PolarHBondContact O-N 2.96Å; D53-S55 PolarHBondContact O-N 2.95Å; D53-S55 WeakPolarHBondContact OD1-CB 3.32Å; D53-S55 PolarHBondContact OD1-N 3.12Å; D53-S55 PolarHBondContact OD1-OG 2.95Å; D53-S55 PolarHBondContact OD2-OG 2.98Å; D53-L56 HydrophobicContact CB-CD1 3.94Å; D53-L56 HydrophobicContact CB-CG 4Å; D53-L56 WeakPolarHBondContact O-CB 3.24Å; D53-L56 PolarHBondContact O-N 3.15Å; D53-R277 HydrophobicContact CB-CB 4.13Å; D53-R277 HydrophobicContact CB-CG 4.38Å; D53-R277 VanDerWaalsContact OD2-CD 3.31Å; D53-R277 WeakPolarHBondContact OD2-CD 3.2Å; D53-R277 IonicContact OD2-CZ 3.04Å; D53-R277 IonicContact OD2-NE 3.94Å; D53-R277 IonicContact OD2-NH1 3.91Å; D53-R277 PolarHBondContact OD2-NH1 3.49Å; D53-A278 PolarHBondContact N-O 3.08Å
54	P	97.6	Very high	97.4	Very high	72 Å²	72	64.8 Å²	64.8	47%	0.468	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.5	-178.7	26.1	-33.6	0	0	0	113	Y52 L56 L57	Y52-P54 HydrophobicContact CE1-CB 3.93Å; Y52-P54 HydrophobicContact CE1-CG 4.31Å; P54-L56 PolarHBondContact O-N 2.81Å; P54-L57 WeakPolarHBondContact O-CB 3.42Å; P54-L57 PolarHBondContact O-N 3.17Å
55	S	97.6	Very high	97.3	Very high	53 Å²	53	63.8 Å²	63.8	37%	0.371	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-65.6	-21.5	179	71.8	0	0	0	0	112.8	D53 L57 D58	D53-S55 PolarHBondContact O-N 2.95Å; D53-S55 WeakPolarHBondContact OD1-CB 3.32Å; D53-S55 PolarHBondContact OD1-N 3.12Å; D53-S55 PolarHBondContact OD1-OG 2.95Å; D53-S55 PolarHBondContact OD2-OG 2.98Å; S55-L57 PolarHBondContact O-N 2.88Å; S55-L57 VanDerWaalsContact O-N 3.08Å; S55-D58 WeakPolarHBondContact O-CB 3.46Å; S55-D58 PolarHBondContact O-N 3.14Å; S55-D58 VanDerWaalsContact O-N 3.15Å
56	L	97.9	Very high	97.2	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62.7	-12.3	171.7	-65.1	177.9	0	0	0	113.4	D53 P54 P94 Y206 V208 R277 A279	D53-L56 HydrophobicContact CB-CD1 3.94Å; D53-L56 HydrophobicContact CB-CG 4Å; D53-L56 WeakPolarHBondContact O-CB 3.24Å; D53-L56 PolarHBondContact O-N 3.15Å; P54-L56 PolarHBondContact O-N 2.81Å; L56-P94 HydrophobicContact CD2-CB 3.74Å; L56-Y206 HydrophobicContact CD1-CE2 4.37Å; L56-Y206 PolarHBondContact O-OH 3.07Å; L56-V208 HydrophobicContact CD1-CG1 3.78Å; L56-V208 HydrophobicContact CD2-CG1 4.02Å; L56-R277 HydrophobicContact CD1-CB 4.13Å; L56-A279 HydrophobicContact CB-CB 4.03Å; L56-A279 HydrophobicContact CD1-CB 4.05Å
57	L	96.7	Very high	97.2	Very high	88 Å²	88	68 Å²	68	46%	0.461	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-104.8	-10.3	179.9	-55.5	178.8	0	0	0	113.1	Y52 P54 S55 A59 G60 A279	Y52-L57 HydrophobicContact CE2-CD1 4.43Å; P54-L57 WeakPolarHBondContact O-CB 3.42Å; P54-L57 PolarHBondContact O-N 3.17Å; S55-L57 PolarHBondContact O-N 2.88Å; S55-L57 VanDerWaalsContact O-N 3.08Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.34Å; L57-G60 PolarHBondContact O-N 3.19Å; L57-A279 HydrophobicContact CD2-CB 4.22Å
58	D	96.1	Very high	97.2	Very high	142 Å²	142	66 Å²	66	76%	0.759	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-45.5	-177.6	-72.8	-16.6	0	0	0	111.4	S55	S55-D58 WeakPolarHBondContact O-CB 3.46Å; S55-D58 PolarHBondContact O-N 3.14Å; S55-D58 VanDerWaalsContact O-N 3.15Å
59	A	94.4	Very high	97.2	Very high	59 Å²	59	64.5 Å²	64.5	49%	0.488	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	83.9	164.8	0	0	0	0	0	107	L57 G92 G93	L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.34Å; A59-G92 CarbonylContact O-C 3.59Å; A59-G92 WeakPolarHBondContact O-CA 3.39Å; A59-G93 PolarHBondContact O-N 2.96Å
60	G	94.9	Very high	97.1	Very high	39 Å²	39	65 Å²	65	40%	0.402	36%	0.355	S	S	.	.			trans	-49.1	150.3	-174.2	0	0	0	0	0	114.1	L57 S62	L57-G60 PolarHBondContact O-N 3.19Å; G60-S62 PolarHBondContact O-N 3.34Å
61	L	98.1	Very high	96.9	Very high	27 Å²	27	64.1 Å²	64.1	14%	0.141	35%	0.348	C	S	.	.			trans	-55.3	122.9	-178.6	-175.6	69.2	0	0	0	111	P63 V90 Y206 I225 F227	L61-P63 HydrophobicContact CG-CG 4.47Å; L61-P63 WeakPolarHBondContact O-CD 3.28Å; L61-V90 HydrophobicContact CD1-CG1 3.56Å; L61-V90 HydrophobicContact CG-CG1 4.4Å; L61-Y206 HydrophobicContact CB-CE1 3.79Å; L61-Y206 HydrophobicContact CD2-CD1 4.13Å; L61-Y206 HydrophobicContact CD2-CE1 4.11Å; L61-I225 HydrophobicContact CD1-CD1 3.52Å; L61-I225 HydrophobicContact CD2-CD1 3.89Å; L61-I225 HydrophobicContact CD2-CG2 3.89Å; L61-I225 HydrophobicContact CG-CD1 4.35Å; L61-F227 HydrophobicContact CD2-CE1 4.27Å; L61-F227 HydrophobicContact CD2-CZ 3.93Å
62	S	97.8	Very high	96.8	Very high	58 Å²	58	61.1 Å²	61.1	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	85.3	-172.1	178.6	0	0	0	0	111.4	G60 N64 T91	G60-S62 PolarHBondContact O-N 3.34Å; S62-N64 PolarHBondContact O-N 3.29Å; S62-T91 PolarHBondContact N-O 3.07Å; S62-T91 PolarHBondContact O-N 3.33Å
63	P	97.8	Very high	96.8	Very high	13 Å²	13	57 Å²	57	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	117.9	167.4	-13.1	29.5	0	0	0	110.2	L61 Y65 V90 L198	L61-P63 HydrophobicContact CG-CG 4.47Å; L61-P63 WeakPolarHBondContact O-CD 3.28Å; P63-Y65 HydrophobicContact CB-CD1 4.39Å; P63-Y65 HydrophobicContact CB-CE1 4.11Å; P63-Y65 HydrophobicContact CB-CE2 4.24Å; P63-V90 HydrophobicContact CB-CG2 4.17Å; P63-L198 HydrophobicContact CB-CD1 3.63Å; P63-L198 HydrophobicContact CB-CD2 4.4Å; P63-L198 HydrophobicContact CG-CD1 4.08Å; P63-L198 HydrophobicContact CG-CD2 4.31Å
64	N	97.4	Very high	96.8	Very high	99 Å²	99	56.8 Å²	56.8	53%	0.529	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	85.4	172.4	-177.8	18.9	0	0	0	109.1	S62 V89	S62-N64 PolarHBondContact O-N 3.29Å; N64-V89 CarbonylContact C-O 3.36Å; N64-V89 HydrophobicContact CB-CG2 4.2Å; N64-V89 PolarHBondContact N-O 3.21Å; N64-V89 PolarHBondContact O-N 3.36Å
65	Y	97.9	Very high	96.9	Very high	8 Å²	8	53.4 Å²	53.4	3%	0.031	29%	0.294	C	S	.	.			trans	-97.1	145.5	-178.1	-68.3	-9.9	0	0	0	111.2	P63 S88 V90 L103 L133 H135 P194 N195 L198	P63-Y65 HydrophobicContact CB-CD1 4.39Å; P63-Y65 HydrophobicContact CB-CE1 4.11Å; P63-Y65 HydrophobicContact CB-CE2 4.24Å; Y65-S88 WeakPolarHBondContact CA-OG 3.45Å; Y65-V90 HydrophobicContact CE1-CG2 3.62Å; Y65-L103 HydrophobicContact CD1-CD2 4.41Å; Y65-L103 HydrophobicContact CE1-CB 4.36Å; Y65-L103 HydrophobicContact CE1-CD2 4.15Å; Y65-L103 HydrophobicContact CE2-CD2 4.43Å; Y65-L133 HydrophobicContact CE2-CD2 3.5Å; Y65-L133 WeakPolarHBondContact OH-CD2 3.36Å; Y65-H135 AromaticContact CE1-NE2 3.6Å; Y65-H135 AromaticContact CZ-NE2 3.5Å; Y65-H135 PolarHBondContact OH-CE1 3.29Å; Y65-H135 PolarHBondContact OH-NE2 2.85Å; Y65-P194 HydrophobicContact CD2-CB 3.91Å; Y65-P194 HydrophobicContact CD2-CG 4.37Å; Y65-P194 HydrophobicContact CE2-CB 4.47Å; Y65-P194 HydrophobicContact CG-CB 4.36Å; Y65-P194 HydrophobicContact CG-CG 4.34Å; Y65-N195 VanDerWaalsContact C-ND2 3.31Å; Y65-N195 WeakPolarHBondContact CB-ND2 3.26Å; Y65-N195 PolarHBondContact O-ND2 2.87Å; Y65-L198 HydrophobicContact CD2-CD1 3.69Å; Y65-L198 HydrophobicContact CD2-CG 4.07Å; Y65-L198 HydrophobicContact CE2-CD1 3.78Å; Y65-L198 HydrophobicContact CE2-CD2 3.82Å; Y65-L198 HydrophobicContact CE2-CG 3.88Å
66	V	97.1	Very high	96.9	Very high	60 Å²	60	52.5 Å²	52.5	36%	0.364	29%	0.285	S	S	.	.			trans	-123.3	159.8	176.8	-63.1	0	0	0	0	110	C68 K87 S88 P194	V66-C68 PolarHBondContact O-N 3.16Å; V66-K87 WeakPolarHBondContact CG2-O 3.44Å; V66-S88 PolarHBondContact N-OG 3.04Å; V66-S88 PolarHBondContact O-OG 3.46Å; V66-P194 WeakPolarHBondContact O-CD 3.34Å
67	V	97.3	Very high	96.9	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.406	29%	0.286	S	S	.	.			trans	-62.2	124.3	175.2	176.9	0	0	0	0	109.7	C191 N193	V67-C191 WeakPolarHBondContact CG1-SG 3.17Å; V67-N193 HydrophobicContact CG2-CB 4.08Å
68	C	96.4	Very high	96.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.4	168.3	169.5	0	0	0	0	109.2	V66 C71 L84 S86 C191 F192	V66-C68 PolarHBondContact O-N 3.16Å; C68-C71 HydrophobicContact CB-CB 4.41Å; C68-C71 WeakPolarHBondContact CB-SG 3.31Å; C68-C71 PolarHBondContact O-SG 3.37Å; C68-C71 WeakPolarHBondContact SG-CB 3.31Å; C68-C71 CovalentContact SG-SG 2.03Å; C68-C71 PolarHBondContact SG-SG 3.4Å; C68-L84 HydrophobicContact CB-CD2 4.07Å; C68-S86 WeakPolarHBondContact CA-OG 3.42Å; C68-S86 WeakPolarHBondContact CB-OG 3.48Å; C68-C191 CarbonylContact O-C 3.51Å; C68-C191 WeakPolarHBondContact O-CA 3.48Å; C68-F192 PolarHBondContact N-O 3.03Å; C68-F192 PolarHBondContact O-N 3.11Å
69	R	95.5	Very high	97	Very high	200 Å²	200	43 Å²	43	76%	0.755	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	147	170.8	-65.1	-172.5	179.2	-148.3	0.2	109.1	C71 P190	R69-C71 PolarHBondContact O-N 2.87Å; R69-P190 WeakPolarHBondContact CA-O 3.35Å
70	E	94	Very high	97.2	Very high	133 Å²	133	40.1 Å²	40.1	62%	0.621	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52.9	44.5	178.7	-56.2	-175.8	146	0	0	112.6	I188 I189 P190	E70-I188 HydrophobicContact CB-CG2 3.94Å; E70-I189 VanDerWaalsContact CA-O 3.28Å; E70-I189 WeakPolarHBondContact CA-O 3.42Å; E70-I189 PolarHBondContact N-O 2.92Å; E70-P190 PolarHBondContact N-O 3.5Å
71	C	94.6	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	143.6	177.8	-35.6	0	0	0	0	108.9	C68 R69 I82 I188 I189	C68-C71 HydrophobicContact CB-CB 4.41Å; C68-C71 WeakPolarHBondContact CB-SG 3.31Å; C68-C71 PolarHBondContact O-SG 3.37Å; C68-C71 WeakPolarHBondContact SG-CB 3.31Å; C68-C71 CovalentContact SG-SG 2.03Å; C68-C71 PolarHBondContact SG-SG 3.4Å; R69-C71 PolarHBondContact O-N 2.87Å; C71-I82 HydrophobicContact CB-CG2 4.34Å; C71-I188 WeakPolarHBondContact O-CA 3.31Å; C71-I189 HydrophobicContact CB-CG1 4.11Å; C71-I189 PolarHBondContact N-O 2.96Å; C71-I189 WeakPolarHBondContact O-CG1 3.17Å; C71-I189 PolarHBondContact O-N 3.35Å
72	E	97.5	Very high	97.4	Very high	47 Å²	47	39.8 Å²	39.8	22%	0.22	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.4	-179.3	-168.3	178.2	-176.1	0	0	109.7	I74 I82 L83 N186	E72-I74 HydrophobicContact CG-CD1 4.04Å; E72-I74 HydrophobicContact CG-CG1 3.76Å; E72-I82 CarbonylContact O-C 3.52Å; E72-I82 WeakPolarHBondContact O-CA 3.26Å; E72-L83 HydrophobicContact CB-CB 4.32Å; E72-L83 PolarHBondContact N-O 3.03Å; E72-L83 PolarHBondContact O-N 3.24Å; E72-N186 HydrophobicContact CG-CB 4.15Å; E72-N186 WeakPolarHBondContact OE1-CB 3.24Å
73	V	98.6	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.8	173.1	-170.4	0	0	0	0	108.1	V80 R81 I82 I173 V176 L180 N186 K187 I189	V73-V80 HydrophobicContact CG1-CG1 3.7Å; V73-R81 CarbonylContact C-O 3.57Å; V73-R81 VanDerWaalsContact CA-O 3.26Å; V73-R81 WeakPolarHBondContact CA-O 3.29Å; V73-I82 HydrophobicContact CG2-CG1 4.41Å; V73-I173 HydrophobicContact CG1-CG2 4.22Å; V73-I173 HydrophobicContact CG2-CD1 4.03Å; V73-V176 HydrophobicContact CG2-CG2 4.49Å; V73-L180 HydrophobicContact CB-CD1 3.82Å; V73-L180 HydrophobicContact CG1-CD1 3.48Å; V73-L180 VanDerWaalsContact CG1-CD1 3.48Å; V73-N186 CarbonylContact O-C 3.25Å; V73-N186 WeakPolarHBondContact O-CA 3.35Å; V73-K187 PolarHBondContact N-O 3.27Å; V73-K187 PolarHBondContact O-N 3.19Å; V73-I189 HydrophobicContact CG2-CD1 3.76Å; V73-I189 HydrophobicContact CG2-CG1 4.06Å; V73-I189 HydrophobicContact CG2-CG2 4.04Å
74	I	98.6	Very high	97.2	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.138	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.9	-172.1	-49	177.9	0	0	0	109.2	E72 V80 R81 L83 N186	E72-I74 HydrophobicContact CG-CD1 4.04Å; E72-I74 HydrophobicContact CG-CG1 3.76Å; I74-V80 CarbonylContact O-C 3.6Å; I74-V80 VanDerWaalsContact O-CA 3.3Å; I74-V80 WeakPolarHBondContact O-CA 3.31Å; I74-R81 HydrophobicContact CB-CB 4.46Å; I74-R81 PolarHBondContact N-O 2.83Å; I74-R81 PolarHBondContact O-N 3.43Å; I74-L83 HydrophobicContact CD1-CD1 3.56Å; I74-L83 HydrophobicContact CD1-CG 4.04Å; I74-N186 HydrophobicContact CB-CB 4.41Å; I74-N186 HydrophobicContact CG1-CB 3.87Å; I74-N186 HydrophobicContact CG2-CB 4.39Å
75	N	98.7	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.4	157	175.3	-0.9	0	0	0	107.7	G77 L180 Q181 Y182 K183 G184 K185 R245	N75-G77 VanDerWaalsContact C-N 3.3Å; N75-G77 WeakPolarHBondContact OD1-CA 3.49Å; N75-G77 PolarHBondContact OD1-N 2.81Å; N75-L180 HydrophobicContact CB-CB 4.29Å; N75-L180 WeakPolarHBondContact CB-O 3.28Å; N75-L180 PolarHBondContact ND2-O 2.67Å; N75-Q181 PolarHBondContact ND2-O 3.28Å; N75-Y182 VanDerWaalsContact ND2-C 3.34Å; N75-Y182 PolarHBondContact ND2-O 3.48Å; N75-K183 CarbonylContact O-C 3.56Å; N75-G184 PolarHBondContact O-N 3.07Å; N75-K185 PolarHBondContact N-O 2.98Å; N75-R245 PolarHBondContact ND2-O 2.88Å; N75-R245 VanDerWaalsContact ND2-O 3.07Å
76	D	97.4	Very high	96.2	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	19%	0.194	C	C	.	.			trans	-89.7	3.6	-179.6	70.2	0	0	0	0	113.3	H78 T79 R81 K183	D76-H78 VanDerWaalsContact C-N 3.33Å; D76-H78 WeakPolarHBondContact OD1-CA 3.26Å; D76-H78 IonicContact OD1-CD2 3.94Å; D76-H78 PolarHBondContact OD1-N 2.75Å; D76-T79 PolarHBondContact N-O 2.74Å; D76-T79 PolarHBondContact OD1-N 2.76Å; D76-T79 VanDerWaalsContact OD1-O 3.07Å; D76-R81 WeakPolarHBondContact OD2-CD 3.34Å; D76-K183 WeakPolarHBondContact O-CE 3.41Å; D76-K183 WeakPolarHBondContact O-CG 3.48Å
77	G	97.3	Very high	95.9	Very high	2 Å²	2	46 Å²	46	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	89.5	-10.8	-175.6	0	0	0	0	0	114.4	N75 S246 L261	N75-G77 VanDerWaalsContact C-N 3.3Å; N75-G77 WeakPolarHBondContact OD1-CA 3.49Å; N75-G77 PolarHBondContact OD1-N 2.81Å; G77-S246 WeakPolarHBondContact CA-O 3.37Å; G77-S246 VanDerWaalsContact O-CA 3.28Å; G77-S246 WeakPolarHBondContact O-CA 3.35Å; G77-S246 VanDerWaalsContact O-CB 3.24Å; G77-S246 WeakPolarHBondContact O-CB 3.49Å; G77-L261 WeakPolarHBondContact O-CD1 3.4Å
78	H	97.6	Very high	95.9	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.111	19%	0.19	C	C	.	.	S	Bend	trans	-119.8	-27	179.6	-48.7	-73.4	0	0	0	112.2	W20 Y22 D76 N264	W20-H78 AromaticContact CE2-CE1 3.93Å; W20-H78 AromaticContact CE2-ND1 3.92Å; W20-H78 HydrophobicContact CH2-CB 3.57Å; W20-H78 AromaticContact CH2-CG 3.58Å; W20-H78 AromaticContact CH2-ND1 3.78Å; W20-H78 HydrophobicContact CZ2-CB 3.99Å; W20-H78 AromaticContact CZ2-CD2 3.82Å; W20-H78 AromaticContact CZ2-CG 3.57Å; W20-H78 AromaticContact CZ2-ND1 3.8Å; W20-H78 HydrophobicContact CZ3-CB 4.22Å; W20-H78 AromaticContact CZ3-ND1 3.9Å; W20-H78 PolarHBondContact O-CE1 3.15Å; W20-H78 PolarHBondContact O-ND1 2.77Å; Y22-H78 HydrophobicContact CE2-CB 4.33Å; D76-H78 VanDerWaalsContact C-N 3.33Å; D76-H78 WeakPolarHBondContact OD1-CA 3.26Å; D76-H78 IonicContact OD1-CD2 3.94Å; D76-H78 PolarHBondContact OD1-N 2.75Å; H78-N264 PolarHBondContact O-ND2 2.99Å
79	T	98.6	Very high	96	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.031	20%	0.196	C	C	.	.			trans	-157.9	169.9	177.4	178.2	0	0	0	0	110.5	D76 R81 R107 F108	D76-T79 PolarHBondContact N-O 2.74Å; D76-T79 PolarHBondContact OD1-N 2.76Å; D76-T79 VanDerWaalsContact OD1-O 3.07Å; T79-R81 HydrophobicContact CG2-CG 3.69Å; T79-R107 HydrophobicContact CG2-CB 4.43Å; T79-R107 HydrophobicContact CG2-CG 4.34Å; T79-F108 PolarHBondContact OG1-N 3.32Å; T79-F108 PolarHBondContact OG1-O 2.9Å
80	V	98.7	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136	154	178.1	0	0	0	0	108.4	V73 I74 F108 W110 I173 L177 F241 L244	V73-V80 HydrophobicContact CG1-CG1 3.7Å; I74-V80 CarbonylContact O-C 3.6Å; I74-V80 VanDerWaalsContact O-CA 3.3Å; I74-V80 WeakPolarHBondContact O-CA 3.31Å; V80-F108 HydrophobicContact CB-CD2 3.97Å; V80-F108 HydrophobicContact CG1-CD2 4.18Å; V80-F108 HydrophobicContact CG1-CE2 4.31Å; V80-F108 WeakPolarHBondContact O-CD2 3.47Å; V80-W110 HydrophobicContact CG2-CH2 4.11Å; V80-W110 HydrophobicContact CG2-CZ3 4.38Å; V80-I173 HydrophobicContact CG1-CG2 4.48Å; V80-L177 HydrophobicContact CG1-CD2 4.18Å; V80-L177 HydrophobicContact CG2-CD2 3.84Å; V80-F241 HydrophobicContact CB-CE1 4.05Å; V80-F241 HydrophobicContact CG2-CD1 3.99Å; V80-F241 HydrophobicContact CG2-CE1 3.81Å; V80-L244 HydrophobicContact CG2-CD1 3.26Å
81	R	98.4	Very high	96.3	Very high	58 Å²	58	29.8 Å²	29.8	22%	0.219	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.7	173.3	-59.8	177.1	56.4	-172.3	2.2	109.3	V73 I74 D76 T79 L83 E105 V106 R107	V73-R81 CarbonylContact C-O 3.57Å; V73-R81 VanDerWaalsContact CA-O 3.26Å; V73-R81 WeakPolarHBondContact CA-O 3.29Å; I74-R81 HydrophobicContact CB-CB 4.46Å; I74-R81 PolarHBondContact N-O 2.83Å; I74-R81 PolarHBondContact O-N 3.43Å; D76-R81 WeakPolarHBondContact OD2-CD 3.34Å; T79-R81 HydrophobicContact CG2-CG 3.69Å; R81-L83 HydrophobicContact CB-CD2 4.47Å; R81-E105 IonicContact CZ-OE2 3.97Å; R81-E105 IonicContact NE-OE1 2.73Å; R81-E105 IonicContact NE-OE2 3.91Å; R81-E105 PolarHBondContact NE-OE2 3.1Å; R81-E105 IonicContact NH2-OE1 3.7Å; R81-E105 IonicContact NH2-OE2 2.98Å; R81-E105 PolarHBondContact NH2-OE2 2.98Å; R81-V106 CarbonylContact C-O 3.59Å; R81-V106 WeakPolarHBondContact CA-O 3.44Å; R81-R107 HydrophobicContact CG-CG 4.35Å
82	I	98.3	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106.9	165.8	-54.4	166.4	0	0	0	106.8	C71 E72 V73 L84 E105 V106 F108 I173 F192	C71-I82 HydrophobicContact CB-CG2 4.34Å; E72-I82 CarbonylContact O-C 3.52Å; E72-I82 WeakPolarHBondContact O-CA 3.26Å; V73-I82 HydrophobicContact CG2-CG1 4.41Å; I82-L84 VanDerWaalsContact O-CD1 3.28Å; I82-L84 WeakPolarHBondContact O-CD1 3.49Å; I82-E105 CarbonylContact O-C 3.57Å; I82-E105 WeakPolarHBondContact O-CA 3.23Å; I82-E105 WeakPolarHBondContact O-CB 3.42Å; I82-V106 HydrophobicContact CB-CB 4.19Å; I82-V106 HydrophobicContact CD1-CB 4.23Å; I82-V106 PolarHBondContact N-O 3.17Å; I82-V106 PolarHBondContact O-N 2.7Å; I82-F108 HydrophobicContact CD1-CE2 3.65Å; I82-F108 HydrophobicContact CD1-CZ 3.7Å; I82-F108 HydrophobicContact CG1-CE2 3.99Å; I82-I173 HydrophobicContact CD1-CD1 3.53Å; I82-I173 HydrophobicContact CD1-CG1 3.69Å; I82-I173 HydrophobicContact CD1-CG2 4.24Å; I82-I173 HydrophobicContact CG1-CD1 4.05Å; I82-F192 HydrophobicContact CD1-CE1 4.12Å; I82-F192 HydrophobicContact CD1-CE2 4.21Å; I82-F192 HydrophobicContact CD1-CZ 3.9Å; I82-F192 HydrophobicContact CG2-CD1 4.04Å; I82-F192 HydrophobicContact CG2-CE1 4.35Å; I82-F192 HydrophobicContact CG2-CG 4.49Å
83	L	97.7	Very high	96.5	Very high	35 Å²	35	28.7 Å²	28.7	18%	0.183	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.7	175.9	-56.2	-174.1	0	0	0	109.5	E72 I74 R81 E105	E72-L83 HydrophobicContact CB-CB 4.32Å; E72-L83 PolarHBondContact N-O 3.03Å; E72-L83 PolarHBondContact O-N 3.24Å; I74-L83 HydrophobicContact CD1-CD1 3.56Å; I74-L83 HydrophobicContact CD1-CG 4.04Å; R81-L83 HydrophobicContact CB-CD2 4.47Å; L83-E105 HydrophobicContact CD2-CB 3.99Å; L83-E105 WeakPolarHBondContact CD2-OE2 3.48Å
84	L	94.3	Very high	96.5	Very high	16 Å²	16	30 Å²	30	8%	0.084	15%	0.152	C	C	.	.			trans	-99.6	137	179.6	-60.4	98.9	0	0	0	110.2	C68 I82 L103 H104 V106 F192 P194	C68-L84 HydrophobicContact CB-CD2 4.07Å; I82-L84 VanDerWaalsContact O-CD1 3.28Å; I82-L84 WeakPolarHBondContact O-CD1 3.49Å; L84-L103 HydrophobicContact CD1-CD1 4.49Å; L84-L103 HydrophobicContact CD1-CD2 4.17Å; L84-L103 HydrophobicContact CD1-CG 4.02Å; L84-L103 HydrophobicContact CD2-CD2 3.81Å; L84-L103 HydrophobicContact CD2-CG 4.38Å; L84-H104 PolarHBondContact N-O 2.76Å; L84-V106 HydrophobicContact CD1-CG2 4.03Å; L84-F192 HydrophobicContact CD2-CD1 4.23Å; L84-P194 HydrophobicContact CD2-CB 4.1Å; L84-P194 HydrophobicContact CD2-CG 3.62Å
85	K	88	Confident	96.5	Very high	138 Å²	138	29.4 Å²	29.4	60%	0.6	15%	0.149	S	C	*	.			trans	-109.9	-5.9	177.4	-63.1	176.9	-178.5	166.3	0	112.9
86	S	85.1	Confident	96.4	Very high	19 Å²	19	31.2 Å²	31.2	13%	0.133	16%	0.161	C	C	.	.	S	Bend	trans	-92.8	141.2	-179.1	60.5	0	0	0	0	110.8	C68 S88	C68-S86 WeakPolarHBondContact CA-OG 3.42Å; C68-S86 WeakPolarHBondContact CB-OG 3.48Å; S86-S88 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 2.98Å
87	K	91.2	Very high	96.2	Very high	161 Å²	161	35.4 Å²	35.4	70%	0.7	19%	0.192	S	C	*	.			trans	-68.9	83.6	175.9	-64.6	-167	173.1	-163	0	112	V66	V66-K87 WeakPolarHBondContact CG2-O 3.44Å
88	S	97.7	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.			trans	-101.5	127.8	168.8	-74.9	0	0	0	0	107.8	Y65 V66 S86 E102 L103	Y65-S88 WeakPolarHBondContact CA-OG 3.45Å; V66-S88 PolarHBondContact N-OG 3.04Å; V66-S88 PolarHBondContact O-OG 3.46Å; S86-S88 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 2.98Å; S88-E102 WeakPolarHBondContact O-CA 3.36Å; S88-L103 WeakPolarHBondContact O-CB 3.24Å; S88-L103 PolarHBondContact O-N 3.42Å
89	V	98.2	Very high	96	Very high	19 Å²	19	40.5 Å²	40.5	12%	0.115	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.1	-172.7	-62.2	0	0	0	0	112.2	N64 Y101 E102	N64-V89 CarbonylContact C-O 3.36Å; N64-V89 HydrophobicContact CB-CG2 4.2Å; N64-V89 PolarHBondContact N-O 3.21Å; N64-V89 PolarHBondContact O-N 3.36Å; V89-Y101 CarbonylContact C-O 3.5Å; V89-Y101 VanDerWaalsContact CA-O 3.27Å; V89-Y101 WeakPolarHBondContact CA-O 3.3Å; V89-E102 HydrophobicContact CG1-CB 4.39Å
90	V	98.4	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.5	171.1	-176.2	0	0	0	0	109.4	L61 P63 Y65 L95 Y101 H135 L155 I157	L61-V90 HydrophobicContact CD1-CG1 3.56Å; L61-V90 HydrophobicContact CG-CG1 4.4Å; P63-V90 HydrophobicContact CB-CG2 4.17Å; Y65-V90 HydrophobicContact CE1-CG2 3.62Å; V90-L95 HydrophobicContact CG1-CD1 4.02Å; V90-Y101 PolarHBondContact N-O 3.27Å; V90-Y101 PolarHBondContact O-N 2.8Å; V90-H135 VanDerWaalsContact CG2-NE2 3.27Å; V90-H135 WeakPolarHBondContact CG2-NE2 3.4Å; V90-L155 HydrophobicContact CB-CD2 4.03Å; V90-L155 HydrophobicContact CG1-CD2 3.93Å; V90-I157 HydrophobicContact CG1-CD1 4.4Å; V90-I157 HydrophobicContact CG2-CD1 4Å
91	T	98.6	Very high	96	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.252	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	170.4	172.3	60.1	0	0	0	0	110.5	S62 E100	S62-T91 PolarHBondContact N-O 3.07Å; S62-T91 PolarHBondContact O-N 3.33Å; T91-E100 HydrophobicContact CG2-CB 4.36Å; T91-E100 HydrophobicContact CG2-CG 3.78Å
92	G	98.2	Very high	96	Very high	10 Å²	10	43.7 Å²	43.7	10%	0.103	24%	0.237	C	C	.	.	S	Bend	trans	72.8	-164.4	175.6	0	0	0	0	0	114.5	A59 L95	A59-G92 CarbonylContact O-C 3.59Å; A59-G92 WeakPolarHBondContact O-CA 3.39Å; G92-L95 VanDerWaalsContact O-CB 3.3Å; G92-L95 WeakPolarHBondContact O-CB 3.34Å; G92-L95 WeakPolarHBondContact O-CD1 3.38Å; G92-L95 WeakPolarHBondContact O-CG 3.5Å; G92-L95 PolarHBondContact O-N 3.46Å
93	G	97.8	Very high	96	Very high	13 Å²	13	43.8 Å²	43.8	13%	0.134	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-121.6	-173.1	0	0	0	0	0	111.3	A59 L95 Y206	A59-G93 PolarHBondContact O-N 2.96Å; G93-L95 VanDerWaalsContact C-N 3.26Å; G93-L95 PolarHBondContact O-N 3.03Å; G93-Y206 WeakPolarHBondContact CA-OH 3.3Å
94	P	97.9	Very high	96	Very high	29 Å²	29	44.6 Å²	44.6	19%	0.188	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.8	178.9	35.1	-36.7	0	0	0	114.1	L56 V208 T223 I225	L56-P94 HydrophobicContact CD2-CB 3.74Å; P94-V208 HydrophobicContact CB-CB 4.42Å; P94-V208 HydrophobicContact CB-CG1 4.31Å; P94-V208 HydrophobicContact CB-CG2 3.73Å; P94-V208 HydrophobicContact CG-CB 4.38Å; P94-V208 HydrophobicContact CG-CG2 3.75Å; P94-T223 HydrophobicContact CG-CG2 4.1Å; P94-I225 HydrophobicContact CG-CD1 3.76Å; P94-I225 HydrophobicContact CG-CG1 4.04Å
95	L	98.2	Very high	96.2	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.068	24%	0.236	C	C	.	.	S	Bend	trans	-82.6	150	-171.4	-51.5	172.9	0	0	0	111.2	V90 G92 G93 S97 Y101 L155	V90-L95 HydrophobicContact CG1-CD1 4.02Å; G92-L95 VanDerWaalsContact O-CB 3.3Å; G92-L95 WeakPolarHBondContact O-CB 3.34Å; G92-L95 WeakPolarHBondContact O-CD1 3.38Å; G92-L95 WeakPolarHBondContact O-CG 3.5Å; G92-L95 PolarHBondContact O-N 3.46Å; G93-L95 VanDerWaalsContact C-N 3.26Å; G93-L95 PolarHBondContact O-N 3.03Å; L95-S97 PolarHBondContact O-N 2.97Å; L95-Y101 HydrophobicContact CB-CD2 4.5Å; L95-Y101 HydrophobicContact CB-CE2 4.06Å; L95-Y101 HydrophobicContact CD1-CD2 3.73Å; L95-Y101 HydrophobicContact CD1-CE2 4.08Å; L95-Y101 HydrophobicContact CD1-CG 4.4Å; L95-Y101 HydrophobicContact CD2-CD2 4.05Å; L95-Y101 HydrophobicContact CD2-CE1 4.47Å; L95-Y101 HydrophobicContact CD2-CE2 3.69Å; L95-Y101 HydrophobicContact CG-CD2 4.29Å; L95-Y101 HydrophobicContact CG-CE2 4.13Å; L95-L155 HydrophobicContact CD1-CD2 3.85Å; L95-L155 HydrophobicContact CD2-CB 4.44Å; L95-L155 HydrophobicContact CD2-CD1 4.27Å; L95-L155 HydrophobicContact CD2-CD2 4.07Å; L95-L155 HydrophobicContact CD2-CG 4.49Å
96	P	96.8	Very high	96.7	Very high	39 Å²	39	37.3 Å²	37.3	25%	0.253	21%	0.207	S	C	.	.			trans	-56.5	139.9	171	-23.8	35.2	0	0	0	111.5	D98 H99	P96-D98 PolarHBondContact O-N 3.27Å; P96-D98 VanDerWaalsContact O-N 3.14Å; P96-H99 HydrophobicContact CB-CB 4.22Å; P96-H99 WeakPolarHBondContact CG-ND1 3.37Å; P96-H99 PolarHBondContact O-N 2.99Å; P96-H99 VanDerWaalsContact O-N 3.08Å
97	S	92.4	Very high	97.4	Very high	121 Å²	121	38.5 Å²	38.5	85%	0.846	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.7	-166.8	51.3	0	0	0	0	115.4	L95	L95-S97 PolarHBondContact O-N 2.97Å
98	D	93.8	Very high	97.7	Very high	115 Å²	115	30.9 Å²	30.9	62%	0.615	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	7	-177.9	60.9	-32.1	0	0	0	112.9	P96	P96-D98 PolarHBondContact O-N 3.27Å; P96-D98 VanDerWaalsContact O-N 3.14Å
99	H	97.9	Very high	97.8	Very high	18 Å²	18	30.9 Å²	30.9	8%	0.083	18%	0.176	C	C	.	.			trans	-103.3	139.2	-178.8	-67.7	-170.3	0	0	0	112	P96 Y101 N137 L140	P96-H99 HydrophobicContact CB-CB 4.22Å; P96-H99 WeakPolarHBondContact CG-ND1 3.37Å; P96-H99 PolarHBondContact O-N 2.99Å; P96-H99 VanDerWaalsContact O-N 3.08Å; H99-Y101 HydrophobicContact CB-CD2 4.43Å; H99-Y101 HydrophobicContact CB-CE2 3.85Å; H99-N137 PolarHBondContact ND1-ND2 3.47Å; H99-L140 VanDerWaalsContact CE1-CD1 3.47Å; H99-L140 WeakPolarHBondContact CE1-CD1 3.13Å
100	E	98.1	Very high	97.8	Very high	93 Å²	93	30 Å²	30	44%	0.435	17%	0.171	S	C	.	.			trans	-109.5	141.8	168.2	-61.5	-169.5	164.1	0	0	109.9	T91 N137 N138 T139	T91-E100 HydrophobicContact CG2-CB 4.36Å; T91-E100 HydrophobicContact CG2-CG 3.78Å; E100-N137 WeakPolarHBondContact O-CA 3.45Å; E100-N137 PolarHBondContact O-OD1 3.08Å; E100-N138 VanDerWaalsContact C-OD1 3.28Å; E100-N138 VanDerWaalsContact CB-OD1 3.32Å; E100-N138 WeakPolarHBondContact CB-OD1 3.43Å; E100-N138 PolarHBondContact O-N 3.25Å; E100-N138 PolarHBondContact O-OD1 2.83Å; E100-T139 PolarHBondContact N-OG1 2.89Å
101	Y	98.6	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.9	176.3	-73	-107.3	0	0	0	109.2	V89 V90 L95 H99 W136 N137 N152 L155	V89-Y101 CarbonylContact C-O 3.5Å; V89-Y101 VanDerWaalsContact CA-O 3.27Å; V89-Y101 WeakPolarHBondContact CA-O 3.3Å; V90-Y101 PolarHBondContact N-O 3.27Å; V90-Y101 PolarHBondContact O-N 2.8Å; L95-Y101 HydrophobicContact CB-CD2 4.5Å; L95-Y101 HydrophobicContact CB-CE2 4.06Å; L95-Y101 HydrophobicContact CD1-CD2 3.73Å; L95-Y101 HydrophobicContact CD1-CE2 4.08Å; L95-Y101 HydrophobicContact CD1-CG 4.4Å; L95-Y101 HydrophobicContact CD2-CD2 4.05Å; L95-Y101 HydrophobicContact CD2-CE1 4.47Å; L95-Y101 HydrophobicContact CD2-CE2 3.69Å; L95-Y101 HydrophobicContact CG-CD2 4.29Å; L95-Y101 HydrophobicContact CG-CE2 4.13Å; H99-Y101 HydrophobicContact CB-CD2 4.43Å; H99-Y101 HydrophobicContact CB-CE2 3.85Å; Y101-W136 CarbonylContact C-O 3.46Å; Y101-W136 VanDerWaalsContact CA-O 3.26Å; Y101-W136 WeakPolarHBondContact CA-O 3.46Å; Y101-N137 HydrophobicContact CD1-CB 3.88Å; Y101-N137 HydrophobicContact CE1-CB 3.6Å; Y101-N137 HydrophobicContact CE2-CB 4.36Å; Y101-N137 HydrophobicContact CG-CB 4.41Å; Y101-N152 WeakPolarHBondContact OH-CA 3.48Å; Y101-N152 WeakPolarHBondContact OH-CB 3.07Å; Y101-N152 PolarHBondContact OH-O 2.89Å; Y101-N152 VanDerWaalsContact OH-O 3.08Å; Y101-L155 HydrophobicContact CD1-CB 3.58Å; Y101-L155 HydrophobicContact CE1-CB 4Å; Y101-L155 HydrophobicContact CG-CB 4.14Å; Y101-L155 HydrophobicContact CG-CD2 4.33Å
102	E	98.6	Very high	97.8	Very high	38 Å²	38	30.6 Å²	30.6	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.3	-176.7	-174.1	167.8	158.7	0	0	111	S88 V89 H104 H135 W136 N138	S88-E102 WeakPolarHBondContact O-CA 3.36Å; V89-E102 HydrophobicContact CG1-CB 4.39Å; E102-H104 PolarHBondContact O-N 3.04Å; E102-H135 CarbonylContact O-C 3.42Å; E102-H135 WeakPolarHBondContact O-CA 3.49Å; E102-H135 WeakPolarHBondContact O-CB 3.18Å; E102-W136 PolarHBondContact N-O 2.77Å; E102-W136 VanDerWaalsContact O-CD1 3.25Å; E102-W136 PolarHBondContact O-N 3.21Å; E102-N138 HydrophobicContact CB-CB 4.1Å; E102-N138 PolarHBondContact OE2-ND2 2.84Å
103	L	98.6	Very high	97.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.9	177	176.2	61.6	0	0	0	109.6	Y65 L84 S88 L133 H135 P194	Y65-L103 HydrophobicContact CD1-CD2 4.41Å; Y65-L103 HydrophobicContact CE1-CB 4.36Å; Y65-L103 HydrophobicContact CE1-CD2 4.15Å; Y65-L103 HydrophobicContact CE2-CD2 4.43Å; L84-L103 HydrophobicContact CD1-CD1 4.49Å; L84-L103 HydrophobicContact CD1-CD2 4.17Å; L84-L103 HydrophobicContact CD1-CG 4.02Å; L84-L103 HydrophobicContact CD2-CD2 3.81Å; L84-L103 HydrophobicContact CD2-CG 4.38Å; S88-L103 WeakPolarHBondContact O-CB 3.24Å; S88-L103 PolarHBondContact O-N 3.42Å; L103-L133 HydrophobicContact CD1-CB 3.84Å; L103-L133 HydrophobicContact CD1-CG 4.34Å; L103-H135 VanDerWaalsContact CA-CD2 3.44Å; L103-H135 WeakPolarHBondContact CA-CD2 3.34Å; L103-H135 PolarHBondContact N-CD2 3.24Å; L103-P194 HydrophobicContact CD2-CB 3.77Å; L103-P194 HydrophobicContact CD2-CG 3.97Å
104	H	97.9	Very high	97.8	Very high	52 Å²	52	36.5 Å²	36.5	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-49.5	179.6	-177.4	77.8	0	0	0	111.6	L84 E102 I134 L144	L84-H104 PolarHBondContact N-O 2.76Å; E102-H104 PolarHBondContact O-N 3.04Å; H104-I134 PolarHBondContact N-O 2.58Å; H104-L144 HydrophobicContact CB-CD2 4.45Å
105	E	98.1	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162.6	-174.2	68.1	-178.1	167.7	0	0	114.3	R81 I82 L83 R107 I134	R81-E105 IonicContact CZ-OE2 3.97Å; R81-E105 IonicContact NE-OE1 2.73Å; R81-E105 IonicContact NE-OE2 3.91Å; R81-E105 PolarHBondContact NE-OE2 3.1Å; R81-E105 IonicContact NH2-OE1 3.7Å; R81-E105 IonicContact NH2-OE2 2.98Å; R81-E105 PolarHBondContact NH2-OE2 2.98Å; I82-E105 CarbonylContact O-C 3.57Å; I82-E105 WeakPolarHBondContact O-CA 3.23Å; I82-E105 WeakPolarHBondContact O-CB 3.42Å; L83-E105 HydrophobicContact CD2-CB 3.99Å; L83-E105 WeakPolarHBondContact CD2-OE2 3.48Å; E105-R107 HydrophobicContact CG-CG 4.39Å; E105-R107 IonicContact OE1-CZ 3.21Å; E105-R107 IonicContact OE1-NE 3.23Å; E105-R107 PolarHBondContact OE1-NE 2.86Å; E105-R107 IonicContact OE1-NH2 3.56Å; E105-R107 PolarHBondContact OE1-NH2 2.79Å; E105-R107 IonicContact OE2-NE 4Å; E105-I134 HydrophobicContact CG-CB 3.95Å; E105-I134 HydrophobicContact CG-CD1 3.98Å; E105-I134 HydrophobicContact CG-CG1 4.26Å; E105-I134 PolarHBondContact N-O 3.06Å; E105-I134 PolarHBondContact O-N 3.25Å
106	V	98.8	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.9	166	-173.7	0	0	0	0	109.7	R81 I82 L84 F108 L131 H132 L133 F192 L197	R81-V106 CarbonylContact C-O 3.59Å; R81-V106 WeakPolarHBondContact CA-O 3.44Å; I82-V106 HydrophobicContact CB-CB 4.19Å; I82-V106 HydrophobicContact CD1-CB 4.23Å; I82-V106 PolarHBondContact N-O 3.17Å; I82-V106 PolarHBondContact O-N 2.7Å; L84-V106 HydrophobicContact CD1-CG2 4.03Å; V106-F108 HydrophobicContact CB-CE2 4.43Å; V106-F108 HydrophobicContact CG1-CD2 4.49Å; V106-F108 HydrophobicContact CG1-CE2 3.87Å; V106-F108 HydrophobicContact CG1-CZ 4.04Å; V106-L131 HydrophobicContact CG1-CB 4.31Å; V106-L131 HydrophobicContact CG1-CD2 4.32Å; V106-H132 CarbonylContact C-O 3.58Å; V106-H132 VanDerWaalsContact CA-O 3.24Å; V106-H132 WeakPolarHBondContact CA-O 3.5Å; V106-L133 HydrophobicContact CG1-CD1 4.38Å; V106-L133 HydrophobicContact CG2-CG 4.15Å; V106-F192 HydrophobicContact CG2-CE1 4.44Å; V106-L197 HydrophobicContact CG1-CD1 3.95Å; V106-L197 HydrophobicContact CG2-CD1 3.94Å
107	R	98.7	Very high	97.9	Very high	45 Å²	45	43.6 Å²	43.6	17%	0.17	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	158.4	172.6	-59.8	-169.8	-176.6	-171.7	0.2	111.5	T79 R81 E105 L131 H132 I134 T215	T79-R107 HydrophobicContact CG2-CB 4.43Å; T79-R107 HydrophobicContact CG2-CG 4.34Å; R81-R107 HydrophobicContact CG-CG 4.35Å; E105-R107 HydrophobicContact CG-CG 4.39Å; E105-R107 IonicContact OE1-CZ 3.21Å; E105-R107 IonicContact OE1-NE 3.23Å; E105-R107 PolarHBondContact OE1-NE 2.86Å; E105-R107 IonicContact OE1-NH2 3.56Å; E105-R107 PolarHBondContact OE1-NH2 2.79Å; E105-R107 IonicContact OE2-NE 4Å; R107-L131 CarbonylContact O-C 3.49Å; R107-L131 VanDerWaalsContact O-CA 3.31Å; R107-L131 WeakPolarHBondContact O-CA 3.41Å; R107-H132 HydrophobicContact CB-CB 4.43Å; R107-H132 PolarHBondContact N-O 2.95Å; R107-H132 PolarHBondContact O-N 3.18Å; R107-I134 HydrophobicContact CG-CD1 3.88Å; R107-T215 PolarHBondContact NH1-OG1 3.36Å
108	F	98.9	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	-173.2	-63.7	-103	0	0	0	110.9	T79 V80 I82 V106 W110 M129 L131 L170 F241 N264	T79-F108 PolarHBondContact OG1-N 3.32Å; T79-F108 PolarHBondContact OG1-O 2.9Å; V80-F108 HydrophobicContact CB-CD2 3.97Å; V80-F108 HydrophobicContact CG1-CD2 4.18Å; V80-F108 HydrophobicContact CG1-CE2 4.31Å; V80-F108 WeakPolarHBondContact O-CD2 3.47Å; I82-F108 HydrophobicContact CD1-CE2 3.65Å; I82-F108 HydrophobicContact CD1-CZ 3.7Å; I82-F108 HydrophobicContact CG1-CE2 3.99Å; V106-F108 HydrophobicContact CB-CE2 4.43Å; V106-F108 HydrophobicContact CG1-CD2 4.49Å; V106-F108 HydrophobicContact CG1-CE2 3.87Å; V106-F108 HydrophobicContact CG1-CZ 4.04Å; F108-W110 HydrophobicContact CB-CE3 3.89Å; F108-W110 HydrophobicContact CB-CZ3 3.84Å; F108-W110 VanDerWaalsContact O-CZ3 3.24Å; F108-W110 WeakPolarHBondContact O-CZ3 3.46Å; F108-M129 HydrophobicContact CD1-SD 4.07Å; F108-L131 HydrophobicContact CD1-CD2 3.83Å; F108-L131 HydrophobicContact CD1-CG 4.04Å; F108-L131 HydrophobicContact CE1-CD2 3.3Å; F108-L131 HydrophobicContact CE1-CG 4.03Å; F108-L131 HydrophobicContact CZ-CD2 3.9Å; F108-L170 HydrophobicContact CE1-CD2 3.87Å; F108-L170 HydrophobicContact CZ-CD2 3.88Å; F108-F241 HydrophobicContact CB-CE1 3.94Å; F108-F241 AromaticContact CD1-CE1 3.7Å; F108-F241 HydrophobicContact CD1-CE1 3.7Å; F108-F241 AromaticContact CD1-CZ 3.56Å; F108-F241 HydrophobicContact CD1-CZ 3.56Å; F108-F241 HydrophobicContact CD2-CE1 4.29Å; F108-F241 HydrophobicContact CE1-CE1 4.24Å; F108-F241 AromaticContact CE1-CZ 3.7Å; F108-F241 HydrophobicContact CE1-CZ 3.7Å; F108-F241 AromaticContact CG-CE1 3.73Å; F108-F241 HydrophobicContact CG-CE1 3.73Å; F108-F241 HydrophobicContact CG-CZ 4.06Å; F108-F241 HydrophobicContact CZ-CZ 4.34Å; F108-N264 PolarHBondContact O-ND2 3.08Å
109	H	98.9	Very high	98.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.7	171.2	-59.5	-88.4	0	0	0	108.1	G117 E119 M129 E130 H132 N264 F265	H109-G117 CarbonylContact C-O 3.49Å; H109-G117 VanDerWaalsContact C-O 3.25Å; H109-E119 HydrophobicContact CB-CG 3.73Å; H109-E119 IonicContact CD2-OE2 2.74Å; H109-E119 VanDerWaalsContact CE1-CD 3.49Å; H109-E119 IonicContact CE1-OE1 2.79Å; H109-E119 IonicContact CE1-OE2 2.73Å; H109-E119 PolarHBondContact CE1-OE2 2.82Å; H109-E119 VanDerWaalsContact CG-CG 3.47Å; H109-E119 IonicContact CG-OE2 3.87Å; H109-E119 IonicContact ND1-OE1 3.15Å; H109-E119 IonicContact ND1-OE2 3.73Å; H109-E119 IonicContact NE2-OE2 2.87Å; H109-E119 PolarHBondContact NE2-OE2 3.04Å; H109-M129 CarbonylContact O-C 3.54Å; H109-M129 WeakPolarHBondContact O-CA 3.43Å; H109-M129 WeakPolarHBondContact O-CB 3.33Å; H109-M129 VanDerWaalsContact O-CG 3.27Å; H109-M129 WeakPolarHBondContact O-CG 3.46Å; H109-E130 PolarHBondContact N-O 3.28Å; H109-E130 PolarHBondContact O-N 3.1Å; H109-H132 AromaticContact CD2-CE1 3.64Å; H109-H132 AromaticContact CD2-ND1 3.78Å; H109-H132 AromaticContact NE2-CE1 3.63Å; H109-H132 AromaticContact NE2-ND1 3.53Å; H109-N264 PolarHBondContact ND1-O 2.94Å; H109-F265 HydrophobicContact CB-CB 4.47Å
110	W	98.9	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.5	-176.6	66.3	90.4	0	0	0	112.8	V80 F108 G117 P128 M129 F241 L244 L261 D263 N264	V80-W110 HydrophobicContact CG2-CH2 4.11Å; V80-W110 HydrophobicContact CG2-CZ3 4.38Å; F108-W110 HydrophobicContact CB-CE3 3.89Å; F108-W110 HydrophobicContact CB-CZ3 3.84Å; F108-W110 VanDerWaalsContact O-CZ3 3.24Å; F108-W110 WeakPolarHBondContact O-CZ3 3.46Å; W110-G117 VanDerWaalsContact C-CA 3.46Å; W110-G117 PolarHBondContact N-O 3.46Å; W110-P128 WeakPolarHBondContact CA-O 3.5Å; W110-M129 HydrophobicContact CB-CB 4.11Å; W110-M129 HydrophobicContact CB-CE 3.83Å; W110-M129 HydrophobicContact CB-CG 4.41Å; W110-M129 HydrophobicContact CG-CE 4.46Å; W110-F241 HydrophobicContact CD2-CB 3.92Å; W110-F241 HydrophobicContact CD2-CD1 4.05Å; W110-F241 HydrophobicContact CD2-CG 4.35Å; W110-F241 HydrophobicContact CE3-CB 4.5Å; W110-F241 AromaticContact CE3-CD1 3.75Å; W110-F241 HydrophobicContact CE3-CD1 3.75Å; W110-F241 HydrophobicContact CE3-CE1 4.44Å; W110-F241 HydrophobicContact CE3-CG 4.46Å; W110-F241 HydrophobicContact CG-CB 4.11Å; W110-F241 HydrophobicContact CH2-CD1 4.01Å; W110-F241 HydrophobicContact CZ2-CB 4.23Å; W110-F241 HydrophobicContact CZ2-CD1 4.26Å; W110-F241 AromaticContact CZ3-CD1 3.75Å; W110-F241 HydrophobicContact CZ3-CD1 3.75Å; W110-F241 HydrophobicContact CZ3-CE1 4.32Å; W110-L244 HydrophobicContact CH2-CD1 3.8Å; W110-L244 HydrophobicContact CZ2-CB 4.38Å; W110-L244 HydrophobicContact CZ2-CD1 3.83Å; W110-L261 HydrophobicContact CH2-CD2 3.66Å; W110-L261 HydrophobicContact CH2-CG 3.77Å; W110-L261 HydrophobicContact CZ2-CB 4.21Å; W110-L261 HydrophobicContact CZ2-CD2 3.93Å; W110-L261 HydrophobicContact CZ2-CG 3.59Å; W110-L261 VanDerWaalsContact CZ2-O 3.3Å; W110-L261 WeakPolarHBondContact CZ2-O 3.47Å; W110-L261 PolarHBondContact NE1-O 3.21Å; W110-D263 WeakPolarHBondContact O-CA 3.18Å; W110-D263 PolarHBondContact O-N 2.92Å; W110-N264 WeakPolarHBondContact CZ3-ND2 3.43Å; W110-N264 PolarHBondContact N-OD1 2.94Å; W110-N264 PolarHBondContact O-N 2.89Å; W110-N264 PolarHBondContact O-OD1 2.83Å
111	G	98.6	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.			trans	-92.5	151.4	177.9	0	0	0	0	0	112.4	E113 R116 P128 R242 D263	G111-E113 PolarHBondContact O-N 2.99Å; G111-R116 WeakPolarHBondContact CA-O 3.46Å; G111-P128 PolarHBondContact N-O 3.31Å; G111-R242 PolarHBondContact O-NE 2.81Å; G111-R242 PolarHBondContact O-NH2 3.49Å; G111-D263 WeakPolarHBondContact CA-OD1 3.47Å
112	K	98.1	Very high	98.6	Very high	54 Å²	54	29.3 Å²	29.3	24%	0.235	14%	0.135	C	C	.	.	S	Bend	trans	-63.7	-23.5	165.9	-64.5	-179.1	-177.5	-178.6	0	110.9	E23 R242 D258 D263	E23-K112 IonicContact OE1-NZ 3.15Å; E23-K112 PolarHBondContact OE1-NZ 2.8Å; K112-R242 PolarHBondContact O-NE 3.26Å; K112-R242 VanDerWaalsContact O-NE 3.16Å; K112-D258 VanDerWaalsContact NZ-CG 3.29Å; K112-D258 IonicContact NZ-OD1 2.75Å; K112-D258 PolarHBondContact NZ-OD1 3.21Å; K112-D258 VanDerWaalsContact NZ-OD1 3.15Å; K112-D258 IonicContact NZ-OD2 3.92Å; K112-D258 PolarHBondContact NZ-OD2 3.28Å; K112-D263 HydrophobicContact CG-CB 4.42Å; K112-D263 WeakPolarHBondContact CG-OD2 3.27Å; K112-D263 PolarHBondContact N-OD1 2.79Å
113	E	98	Very high	98.6	Very high	99 Å²	99	31.3 Å²	31.3	46%	0.463	15%	0.147	S	C	.	.	S	Bend	trans	-128.5	159.8	177.6	-65.3	-65.9	165.5	0	0	112.4	G111 Q115 R242	G111-E113 PolarHBondContact O-N 2.99Å; E113-Q115 PolarHBondContact O-N 2.9Å; E113-R242 PolarHBondContact O-NH2 3.36Å
114	N	98.6	Very high	98.5	Very high	48 Å²	48	39.2 Å²	39.2	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.2	-173.6	-69.8	-4.3	0	0	0	114.5	P128 I163 Q235 R242	N114-P128 VanDerWaalsContact O-CG 3.31Å; N114-P128 WeakPolarHBondContact O-CG 3.37Å; N114-I163 HydrophobicContact CB-CG1 4.48Å; N114-Q235 PolarHBondContact ND2-OE1 2.72Å; N114-R242 PolarHBondContact OD1-NH1 3.38Å; N114-R242 VanDerWaalsContact OD1-NH1 3.11Å; N114-R242 PolarHBondContact OD1-NH2 3.29Å
115	Q	98.2	Very high	98.6	Very high	140 Å²	140	43 Å²	43	65%	0.654	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.4	-177.1	-58.8	77.6	27.8	0	0	113.6	E113	E113-Q115 PolarHBondContact O-N 2.9Å
116	R	98.3	Very high	98.6	Very high	90 Å²	90	44.4 Å²	44.4	34%	0.34	21%	0.209	S	C	.	.			trans	-148	169.6	-176.6	66.5	-172.4	-175.1	-96.2	1.6	110.6	G111 F127 P128 D263 F265	G111-R116 WeakPolarHBondContact CA-O 3.46Å; R116-F127 CarbonylContact C-O 3.53Å; R116-P128 CarbonylContact O-C 3.53Å; R116-P128 VanDerWaalsContact O-CA 3.29Å; R116-P128 WeakPolarHBondContact O-CA 3.46Å; R116-D263 IonicContact CZ-OD1 3.58Å; R116-D263 IonicContact CZ-OD2 3.38Å; R116-D263 VanDerWaalsContact NE-CG 3.28Å; R116-D263 IonicContact NE-OD1 3.13Å; R116-D263 PolarHBondContact NE-OD1 2.85Å; R116-D263 IonicContact NE-OD2 2.81Å; R116-D263 PolarHBondContact NE-OD2 3.06Å; R116-D263 VanDerWaalsContact NE-OD2 3.13Å; R116-D263 IonicContact NH2-OD1 3.55Å; R116-D263 IonicContact NH2-OD2 2.76Å; R116-D263 PolarHBondContact NH2-OD2 3.29Å; R116-F265 HydrophobicContact CB-CE1 4.42Å; R116-F265 HydrophobicContact CB-CZ 4.21Å; R116-F265 HydrophobicContact CG-CE1 4.25Å; R116-F265 HydrophobicContact CG-CZ 4.19Å
117	G	98.6	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.			trans	141.2	-30.2	175.3	0	0	0	0	0	115.3	H109 W110 F127 P128 F265	H109-G117 CarbonylContact C-O 3.49Å; H109-G117 VanDerWaalsContact C-O 3.25Å; W110-G117 VanDerWaalsContact C-CA 3.46Å; W110-G117 PolarHBondContact N-O 3.46Å; G117-F127 CarbonylContact C-O 3.11Å; G117-F127 WeakPolarHBondContact CA-O 3.26Å; G117-F127 PolarHBondContact N-O 3.03Å; G117-F127 VanDerWaalsContact N-O 3.07Å; G117-P128 WeakPolarHBondContact CA-O 3.37Å; G117-F265 VanDerWaalsContact CA-CD1 3.48Å; G117-F265 WeakPolarHBondContact O-CD1 3.48Å
118	S	98.9	Very high	98.6	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	21%	0.209	C	C	.	.			trans	-71.3	147.9	170.9	64.6	0	0	0	0	111.1	H120 A126 F127 E130	S118-H120 WeakPolarHBondContact CB-O 3.38Å; S118-H120 PolarHBondContact OG-O 3.42Å; S118-A126 WeakPolarHBondContact OG-CA 3.31Å; S118-F127 PolarHBondContact N-O 3.39Å; S118-F127 PolarHBondContact OG-N 2.9Å; S118-E130 WeakPolarHBondContact CB-OE2 3.41Å
119	E	98.8	Very high	98.6	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.014	21%	0.209	C	C	.	.	S	Bend	trans	-77.9	-50.3	174.5	-62.9	-140.5	89.3	0	0	109.9	P42 H109 E130 H132 T214 F265 R266	P42-E119 VanDerWaalsContact CB-C 3.43Å; P42-E119 HydrophobicContact CB-CB 3.77Å; P42-E119 WeakPolarHBondContact CB-O 3.48Å; P42-E119 HydrophobicContact CG-CB 3.78Å; P42-E119 WeakPolarHBondContact CG-O 3.46Å; H109-E119 HydrophobicContact CB-CG 3.73Å; H109-E119 IonicContact CD2-OE2 2.74Å; H109-E119 VanDerWaalsContact CE1-CD 3.49Å; H109-E119 IonicContact CE1-OE1 2.79Å; H109-E119 IonicContact CE1-OE2 2.73Å; H109-E119 PolarHBondContact CE1-OE2 2.82Å; H109-E119 VanDerWaalsContact CG-CG 3.47Å; H109-E119 IonicContact CG-OE2 3.87Å; H109-E119 IonicContact ND1-OE1 3.15Å; H109-E119 IonicContact ND1-OE2 3.73Å; H109-E119 IonicContact NE2-OE2 2.87Å; H109-E119 PolarHBondContact NE2-OE2 3.04Å; E119-E130 PolarHBondContact N-OE2 3.49Å; E119-H132 IonicContact OE2-CE1 3.64Å; E119-H132 PolarHBondContact OE2-CE1 2.88Å; E119-H132 IonicContact OE2-ND1 3.83Å; E119-H132 IonicContact OE2-NE2 3.48Å; E119-T214 WeakPolarHBondContact OE2-CB 3.21Å; E119-T214 VanDerWaalsContact OE2-CG2 3.25Å; E119-T214 WeakPolarHBondContact OE2-CG2 3.45Å; E119-T214 PolarHBondContact OE2-OG1 2.86Å; E119-F265 HydrophobicContact CB-CB 4.47Å; E119-F265 HydrophobicContact CG-CB 3.73Å; E119-R266 WeakPolarHBondContact OE1-CB 3.43Å; E119-R266 PolarHBondContact OE1-N 2.84Å
120	H	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-77	154.8	172.5	-64.9	90.7	0	0	0	110.7	I43 S118 E130 F160 Y209 W224 L226	I43-H120 PolarHBondContact N-CD2 3.39Å; S118-H120 WeakPolarHBondContact CB-O 3.38Å; S118-H120 PolarHBondContact OG-O 3.42Å; H120-E130 WeakPolarHBondContact CB-OE2 3.46Å; H120-E130 IonicContact CE1-OE1 3.97Å; H120-E130 IonicContact CG-OE1 3.68Å; H120-E130 IonicContact CG-OE2 3.86Å; H120-E130 PolarHBondContact N-OE2 3.21Å; H120-E130 IonicContact ND1-OE1 3.95Å; H120-E130 PolarHBondContact ND1-OE1 3.36Å; H120-E130 IonicContact ND1-OE2 2.58Å; H120-F160 HydrophobicContact CB-CE1 3.77Å; H120-F160 HydrophobicContact CB-CZ 3.74Å; H120-Y209 AromaticContact NE2-CE1 3.59Å; H120-Y209 AromaticContact NE2-CZ 3.59Å; H120-Y209 PolarHBondContact NE2-OH 2.79Å; H120-W224 AromaticContact CE1-CD2 3.9Å; H120-W224 AromaticContact CE1-CE3 3.56Å; H120-W224 AromaticContact CE1-CH2 3.91Å; H120-W224 AromaticContact CE1-CZ3 3.56Å; H120-L226 HydrophobicContact CB-CD2 3.88Å
121	T	98.9	Very high	98.6	Very high	20 Å²	20	43.8 Å²	43.8	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.1	168.8	57	0	0	0	0	109.6	I43 N44 L45 K125 A126 T268	I43-T121 PolarHBondContact O-N 3.35Å; N44-T121 WeakPolarHBondContact CA-OG1 3.44Å; N44-T121 WeakPolarHBondContact CB-OG1 3.37Å; N44-T121 PolarHBondContact OD1-OG1 3.07Å; L45-T121 PolarHBondContact N-O 3.07Å; T121-K125 WeakPolarHBondContact CA-O 3.47Å; T121-K125 WeakPolarHBondContact CB-O 3.39Å; T121-A126 HydrophobicContact CG2-CB 3.99Å; T121-T268 HydrophobicContact CG2-CG2 4.4Å
122	V	98.8	Very high	98.6	Very high	19 Å²	19	44 Å²	44	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.2	175.3	-179.1	0	0	0	0	108.3	L45 F124 K125 F160 W207	L45-V122 HydrophobicContact CD2-CG1 4.32Å; L45-V122 CarbonylContact O-C 3.23Å; L45-V122 WeakPolarHBondContact O-CA 3.48Å; V122-F124 PolarHBondContact O-N 3.23Å; V122-K125 PolarHBondContact N-O 2.55Å; V122-K125 VanDerWaalsContact O-CB 3.26Å; V122-K125 WeakPolarHBondContact O-CB 3.42Å; V122-K125 PolarHBondContact O-N 3.21Å; V122-F160 HydrophobicContact CG2-CD2 4.49Å; V122-F160 HydrophobicContact CG2-CE2 3.6Å; V122-F160 HydrophobicContact CG2-CZ 3.67Å; V122-W207 HydrophobicContact CG1-CH2 4.1Å; V122-W207 HydrophobicContact CG2-CZ3 4.31Å
123	N	98.5	Very high	98.7	Very high	80 Å²	80	41.4 Å²	41.4	43%	0.428	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	45.7	-172.3	-50	-44.6	0	0	0	111.7	L45 S47 K125	L45-N123 PolarHBondContact O-N 2.71Å; S47-N123 PolarHBondContact N-OD1 2.9Å; S47-N123 PolarHBondContact OG-ND2 2.91Å; S47-N123 PolarHBondContact OG-OD1 2.8Å; N123-K125 PolarHBondContact O-N 3.04Å; N123-K125 VanDerWaalsContact O-N 3.15Å
124	F	98.3	Very high	98.7	Very high	168 Å²	168	37 Å²	37	74%	0.737	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	10.4	-176.5	-54	-76.6	0	0	0	115.6	N44 V122	N44-F124 HydrophobicContact CB-CD1 4.25Å; N44-F124 HydrophobicContact CB-CE1 4.13Å; N44-F124 VanDerWaalsContact ND2-CE1 3.31Å; N44-F124 WeakPolarHBondContact ND2-CE1 3.31Å; N44-F124 VanDerWaalsContact ND2-CZ 3.31Å; N44-F124 WeakPolarHBondContact ND2-CZ 3.46Å; N44-F124 WeakPolarHBondContact OD1-CA 3.32Å; N44-F124 PolarHBondContact OD1-N 2.92Å; V122-F124 PolarHBondContact O-N 3.23Å
125	K	98.6	Very high	98.7	Very high	132 Å²	132	34.7 Å²	34.7	57%	0.574	17%	0.165	S	C	*	.	B	Isolated β-bridge	trans	-91.5	120.9	172.9	-173.7	-177.3	174.3	-172.3	0	110.1	T121 V122 N123	T121-K125 WeakPolarHBondContact CA-O 3.47Å; T121-K125 WeakPolarHBondContact CB-O 3.39Å; V122-K125 PolarHBondContact N-O 2.55Å; V122-K125 VanDerWaalsContact O-CB 3.26Å; V122-K125 WeakPolarHBondContact O-CB 3.42Å; V122-K125 PolarHBondContact O-N 3.21Å; N123-K125 PolarHBondContact O-N 3.04Å; N123-K125 VanDerWaalsContact O-N 3.15Å
126	A	98.6	Very high	98.7	Very high	28 Å²	28	29.3 Å²	29.3	23%	0.231	14%	0.139	C	C	.	.			trans	-84.8	164	167.9	0	0	0	0	0	111.8	S118 T121	S118-A126 WeakPolarHBondContact OG-CA 3.31Å; T121-A126 HydrophobicContact CG2-CB 3.99Å
127	F	98.9	Very high	98.7	Very high	22 Å²	22	25 Å²	25	10%	0.096	12%	0.123	C	C	.	.			trans	-118.1	156.6	174	-69.1	-99.3	0	0	0	110.4	R116 G117 S118 M129 F160 P230	R116-F127 CarbonylContact C-O 3.53Å; G117-F127 CarbonylContact C-O 3.11Å; G117-F127 WeakPolarHBondContact CA-O 3.26Å; G117-F127 PolarHBondContact N-O 3.03Å; G117-F127 VanDerWaalsContact N-O 3.07Å; S118-F127 PolarHBondContact N-O 3.39Å; S118-F127 PolarHBondContact OG-N 2.9Å; F127-M129 PolarHBondContact O-N 3.43Å; F127-F160 HydrophobicContact CB-CB 4.37Å; F127-F160 HydrophobicContact CB-CD1 4.29Å; F127-F160 HydrophobicContact CD1-CB 3.94Å; F127-F160 HydrophobicContact CD2-CB 3.86Å; F127-F160 AromaticContact CD2-CD1 3.35Å; F127-F160 HydrophobicContact CD2-CD1 3.35Å; F127-F160 HydrophobicContact CD2-CD2 4.47Å; F127-F160 AromaticContact CD2-CE1 3.99Å; F127-F160 HydrophobicContact CD2-CE1 3.99Å; F127-F160 AromaticContact CD2-CG 3.64Å; F127-F160 HydrophobicContact CD2-CG 3.64Å; F127-F160 HydrophobicContact CE1-CB 4.12Å; F127-F160 HydrophobicContact CE2-CB 4.06Å; F127-F160 AromaticContact CE2-CD1 3.81Å; F127-F160 HydrophobicContact CE2-CD1 3.81Å; F127-F160 HydrophobicContact CE2-CD2 4.13Å; F127-F160 HydrophobicContact CE2-CE1 4.29Å; F127-F160 AromaticContact CE2-CG 3.72Å; F127-F160 HydrophobicContact CE2-CG 3.72Å; F127-F160 HydrophobicContact CG-CB 3.8Å; F127-F160 AromaticContact CG-CD1 3.95Å; F127-F160 HydrophobicContact CG-CD1 3.95Å; F127-F160 HydrophobicContact CG-CG 4.1Å; F127-F160 HydrophobicContact CZ-CB 4.18Å; F127-F160 HydrophobicContact CZ-CG 4.24Å; F127-P230 HydrophobicContact CD1-CB 4.43Å; F127-P230 HydrophobicContact CE1-CB 4.1Å; F127-P230 HydrophobicContact CE1-CG 4.24Å
128	P	98.9	Very high	98.7	Very high	12 Å²	12	27.1 Å²	27.1	8%	0.078	13%	0.134	C	C	.	.	S	Bend	trans	-53.8	-30.9	176.2	-23.1	22.9	0	0	0	115.2	W110 G111 N114 R116 G117 V161 I163 I238	W110-P128 WeakPolarHBondContact CA-O 3.5Å; G111-P128 PolarHBondContact N-O 3.31Å; N114-P128 VanDerWaalsContact O-CG 3.31Å; N114-P128 WeakPolarHBondContact O-CG 3.37Å; R116-P128 CarbonylContact O-C 3.53Å; R116-P128 VanDerWaalsContact O-CA 3.29Å; R116-P128 WeakPolarHBondContact O-CA 3.46Å; G117-P128 WeakPolarHBondContact CA-O 3.37Å; P128-V161 VanDerWaalsContact CD-O 3.26Å; P128-V161 WeakPolarHBondContact CD-O 3.38Å; P128-I163 HydrophobicContact CB-CD1 4.13Å; P128-I163 HydrophobicContact CB-CG1 4.28Å; P128-I163 HydrophobicContact CG-CD1 4.26Å; P128-I163 HydrophobicContact CG-CG1 3.92Å; P128-I238 HydrophobicContact CB-CD1 3.67Å
129	M	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	154	-177.6	164.7	-173.6	-68.9	0	0	110.9	F108 H109 W110 F127 V161 I233 I238 F241	F108-M129 HydrophobicContact CD1-SD 4.07Å; H109-M129 CarbonylContact O-C 3.54Å; H109-M129 WeakPolarHBondContact O-CA 3.43Å; H109-M129 WeakPolarHBondContact O-CB 3.33Å; H109-M129 VanDerWaalsContact O-CG 3.27Å; H109-M129 WeakPolarHBondContact O-CG 3.46Å; W110-M129 HydrophobicContact CB-CB 4.11Å; W110-M129 HydrophobicContact CB-CE 3.83Å; W110-M129 HydrophobicContact CB-CG 4.41Å; W110-M129 HydrophobicContact CG-CE 4.46Å; F127-M129 PolarHBondContact O-N 3.43Å; M129-V161 HydrophobicContact CB-CB 3.9Å; M129-V161 HydrophobicContact CB-CG2 4.21Å; M129-V161 HydrophobicContact CG-CB 4.06Å; M129-V161 HydrophobicContact CG-CG2 3.82Å; M129-V161 WeakPolarHBondContact O-CB 3.36Å; M129-V161 PolarHBondContact O-N 2.94Å; M129-V161 HydrophobicContact SD-CB 4.38Å; M129-V161 HydrophobicContact SD-CG1 4.4Å; M129-V161 HydrophobicContact SD-CG2 4.11Å; M129-I233 HydrophobicContact CE-CD1 4.02Å; M129-I233 HydrophobicContact SD-CD1 3.88Å; M129-I238 HydrophobicContact CE-CG1 4.34Å; M129-F241 HydrophobicContact CE-CB 4.39Å; M129-F241 HydrophobicContact CE-CD1 4.15Å; M129-F241 HydrophobicContact CE-CD2 3.59Å; M129-F241 HydrophobicContact CE-CE1 4.31Å; M129-F241 HydrophobicContact CE-CE2 3.77Å; M129-F241 HydrophobicContact CE-CG 3.79Å; M129-F241 HydrophobicContact CE-CZ 4.13Å
130	E	98.9	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.9	169.6	-173.6	175.5	139.7	0	0	109.6	H109 S118 E119 H120 H132 A158 L159	H109-E130 PolarHBondContact N-O 3.28Å; H109-E130 PolarHBondContact O-N 3.1Å; S118-E130 WeakPolarHBondContact CB-OE2 3.41Å; E119-E130 PolarHBondContact N-OE2 3.49Å; H120-E130 WeakPolarHBondContact CB-OE2 3.46Å; H120-E130 IonicContact CE1-OE1 3.97Å; H120-E130 IonicContact CG-OE1 3.68Å; H120-E130 IonicContact CG-OE2 3.86Å; H120-E130 PolarHBondContact N-OE2 3.21Å; H120-E130 IonicContact ND1-OE1 3.95Å; H120-E130 PolarHBondContact ND1-OE1 3.36Å; H120-E130 IonicContact ND1-OE2 2.58Å; E130-H132 IonicContact OE1-CD2 3.56Å; E130-H132 PolarHBondContact OE1-CD2 3.01Å; E130-H132 IonicContact OE1-CE1 2.67Å; E130-H132 IonicContact OE1-NE2 2.71Å; E130-H132 PolarHBondContact OE1-NE2 3.44Å; E130-A158 HydrophobicContact CG-CB 4.48Å; E130-L159 CarbonylContact C-O 3.58Å; E130-L159 VanDerWaalsContact CA-O 3.3Å; E130-L159 WeakPolarHBondContact CA-O 3.49Å
131	L	98.7	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	144	171.1	-40.8	91.1	0	0	0	110.3	V106 R107 F108 A158 L159 V161 L170 L197 L231	V106-L131 HydrophobicContact CG1-CB 4.31Å; V106-L131 HydrophobicContact CG1-CD2 4.32Å; R107-L131 CarbonylContact O-C 3.49Å; R107-L131 VanDerWaalsContact O-CA 3.31Å; R107-L131 WeakPolarHBondContact O-CA 3.41Å; F108-L131 HydrophobicContact CD1-CD2 3.83Å; F108-L131 HydrophobicContact CD1-CG 4.04Å; F108-L131 HydrophobicContact CE1-CD2 3.3Å; F108-L131 HydrophobicContact CE1-CG 4.03Å; F108-L131 HydrophobicContact CZ-CD2 3.9Å; L131-A158 WeakPolarHBondContact O-CA 3.34Å; L131-L159 HydrophobicContact CB-CB 4.36Å; L131-L159 HydrophobicContact CD1-CB 3.64Å; L131-L159 PolarHBondContact N-O 2.92Å; L131-L159 PolarHBondContact O-N 3.48Å; L131-V161 HydrophobicContact CD1-CG2 3.09Å; L131-V161 HydrophobicContact CG-CG2 4.12Å; L131-L170 HydrophobicContact CD2-CD1 4.27Å; L131-L170 HydrophobicContact CD2-CD2 4.33Å; L131-L197 HydrophobicContact CD2-CD1 4.24Å; L131-L197 HydrophobicContact CD2-CD2 4.1Å; L131-L231 HydrophobicContact CD1-CD1 3.85Å
132	H	98.9	Very high	98.5	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.5	172.5	-65.9	169.9	0	0	0	110.2	V106 R107 H109 E119 E130 I134 I156 W224	V106-H132 CarbonylContact C-O 3.58Å; V106-H132 VanDerWaalsContact CA-O 3.24Å; V106-H132 WeakPolarHBondContact CA-O 3.5Å; R107-H132 HydrophobicContact CB-CB 4.43Å; R107-H132 PolarHBondContact N-O 2.95Å; R107-H132 PolarHBondContact O-N 3.18Å; H109-H132 AromaticContact CD2-CE1 3.64Å; H109-H132 AromaticContact CD2-ND1 3.78Å; H109-H132 AromaticContact NE2-CE1 3.63Å; H109-H132 AromaticContact NE2-ND1 3.53Å; E119-H132 IonicContact OE2-CE1 3.64Å; E119-H132 PolarHBondContact OE2-CE1 2.88Å; E119-H132 IonicContact OE2-ND1 3.83Å; E119-H132 IonicContact OE2-NE2 3.48Å; E130-H132 IonicContact OE1-CD2 3.56Å; E130-H132 PolarHBondContact OE1-CD2 3.01Å; E130-H132 IonicContact OE1-CE1 2.67Å; E130-H132 IonicContact OE1-NE2 2.71Å; E130-H132 PolarHBondContact OE1-NE2 3.44Å; H132-I134 HydrophobicContact CB-CG1 4.26Å; H132-I156 HydrophobicContact CB-CG2 3.68Å; H132-W224 AromaticContact CD2-CH2 3.92Å; H132-W224 AromaticContact CD2-CZ3 3.68Å; H132-W224 AromaticContact CE1-CH2 3.35Å; H132-W224 WeakPolarHBondContact CE1-CH2 3.44Å; H132-W224 AromaticContact CE1-CZ3 3.85Å; H132-W224 AromaticContact CG-CH2 3.98Å; H132-W224 AromaticContact ND1-CH2 3.61Å; H132-W224 AromaticContact NE2-CH2 3.54Å; H132-W224 AromaticContact NE2-CZ3 3.53Å
133	L	98.9	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	106	168.2	-74.3	68.3	0	0	0	107.1	Y65 L103 V106 H135 I156 I157 L159 L197	Y65-L133 HydrophobicContact CE2-CD2 3.5Å; Y65-L133 WeakPolarHBondContact OH-CD2 3.36Å; L103-L133 HydrophobicContact CD1-CB 3.84Å; L103-L133 HydrophobicContact CD1-CG 4.34Å; V106-L133 HydrophobicContact CG1-CD1 4.38Å; V106-L133 HydrophobicContact CG2-CG 4.15Å; L133-H135 PolarHBondContact O-CE1 2.82Å; L133-H135 PolarHBondContact O-ND1 3.36Å; L133-I156 WeakPolarHBondContact O-CA 3.17Å; L133-I157 HydrophobicContact CB-CB 4.23Å; L133-I157 PolarHBondContact N-O 2.74Å; L133-I157 PolarHBondContact O-N 2.91Å; L133-L159 HydrophobicContact CD1-CD2 4.18Å; L133-L197 HydrophobicContact CD1-CB 4.49Å; L133-L197 HydrophobicContact CD1-CD1 3.96Å; L133-L197 HydrophobicContact CD2-CD1 4.5Å; L133-L197 HydrophobicContact CG-CD1 4.34Å
134	I	98.8	Very high	98.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.9	-172.9	-56.9	-178.8	0	0	0	109.1	H104 E105 R107 H132 L144 V154 I156	H104-I134 PolarHBondContact N-O 2.58Å; E105-I134 HydrophobicContact CG-CB 3.95Å; E105-I134 HydrophobicContact CG-CD1 3.98Å; E105-I134 HydrophobicContact CG-CG1 4.26Å; E105-I134 PolarHBondContact N-O 3.06Å; E105-I134 PolarHBondContact O-N 3.25Å; R107-I134 HydrophobicContact CG-CD1 3.88Å; H132-I134 HydrophobicContact CB-CG1 4.26Å; I134-L144 HydrophobicContact CG2-CD1 4.29Å; I134-L144 HydrophobicContact CG2-CD2 4.33Å; I134-V154 HydrophobicContact CG2-CG1 4.41Å; I134-I156 HydrophobicContact CG1-CD1 4.16Å; I134-I156 HydrophobicContact CG1-CG1 4.2Å; I134-I156 HydrophobicContact CG1-CG2 4.47Å; I134-I156 HydrophobicContact CG2-CG1 4.41Å
135	H	98.8	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.8	178.5	-46.7	71.6	0	0	0	110.7	Y65 V90 E102 L103 L133 V154 L155	Y65-H135 AromaticContact CE1-NE2 3.6Å; Y65-H135 AromaticContact CZ-NE2 3.5Å; Y65-H135 PolarHBondContact OH-CE1 3.29Å; Y65-H135 PolarHBondContact OH-NE2 2.85Å; V90-H135 VanDerWaalsContact CG2-NE2 3.27Å; V90-H135 WeakPolarHBondContact CG2-NE2 3.4Å; E102-H135 CarbonylContact O-C 3.42Å; E102-H135 WeakPolarHBondContact O-CA 3.49Å; E102-H135 WeakPolarHBondContact O-CB 3.18Å; L103-H135 VanDerWaalsContact CA-CD2 3.44Å; L103-H135 WeakPolarHBondContact CA-CD2 3.34Å; L103-H135 PolarHBondContact N-CD2 3.24Å; L133-H135 PolarHBondContact O-CE1 2.82Å; L133-H135 PolarHBondContact O-ND1 3.36Å; H135-V154 WeakPolarHBondContact O-CA 3.39Å; H135-V154 WeakPolarHBondContact O-CG1 3.43Å; H135-L155 WeakPolarHBondContact CA-O 3.07Å; H135-L155 HydrophobicContact CB-CB 4.2Å; H135-L155 HydrophobicContact CB-CD2 4.47Å; H135-L155 WeakPolarHBondContact CB-O 3.41Å; H135-L155 PolarHBondContact N-O 2.73Å; H135-L155 PolarHBondContact ND1-O 3.39Å; H135-L155 PolarHBondContact O-N 2.74Å
136	W	98.4	Very high	98.1	Very high	28 Å²	28	34.8 Å²	34.8	11%	0.106	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149	173.4	65.3	-74.2	0	0	0	110.2	Y101 E102 N138 F141 N142 L144 A147 G153	Y101-W136 CarbonylContact C-O 3.46Å; Y101-W136 VanDerWaalsContact CA-O 3.26Å; Y101-W136 WeakPolarHBondContact CA-O 3.46Å; E102-W136 PolarHBondContact N-O 2.77Å; E102-W136 VanDerWaalsContact O-CD1 3.25Å; E102-W136 PolarHBondContact O-N 3.21Å; W136-N138 HydrophobicContact CD2-CB 4.41Å; W136-N138 HydrophobicContact CE3-CB 4.13Å; W136-N138 HydrophobicContact CH2-CB 3.45Å; W136-N138 VanDerWaalsContact CH2-CB 3.45Å; W136-N138 HydrophobicContact CZ2-CB 3.75Å; W136-N138 VanDerWaalsContact CZ3-CA 3.4Å; W136-N138 HydrophobicContact CZ3-CB 3.65Å; W136-N138 PolarHBondContact O-N 2.88Å; W136-N138 VanDerWaalsContact O-N 3.08Å; W136-F141 HydrophobicContact CE3-CB 4.27Å; W136-F141 HydrophobicContact CZ3-CB 4.28Å; W136-F141 VanDerWaalsContact CZ3-O 3.31Å; W136-F141 WeakPolarHBondContact CZ3-O 3.42Å; W136-N142 VanDerWaalsContact CZ3-C 3.48Å; W136-L144 HydrophobicContact CB-CB 4.13Å; W136-L144 HydrophobicContact CB-CD1 3.81Å; W136-L144 HydrophobicContact CG-CB 4.12Å; W136-A147 HydrophobicContact CB-CB 4.27Å; W136-G153 CarbonylContact C-O 3.19Å; W136-G153 WeakPolarHBondContact CA-O 3.46Å
137	N	98.6	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	99.3	-177.9	-176.5	-24.3	0	0	0	110.8	H99 E100 Y101 T139 L140 F141 N152 G153	H99-N137 PolarHBondContact ND1-ND2 3.47Å; E100-N137 WeakPolarHBondContact O-CA 3.45Å; E100-N137 PolarHBondContact O-OD1 3.08Å; Y101-N137 HydrophobicContact CD1-CB 3.88Å; Y101-N137 HydrophobicContact CE1-CB 3.6Å; Y101-N137 HydrophobicContact CE2-CB 4.36Å; Y101-N137 HydrophobicContact CG-CB 4.41Å; N137-T139 VanDerWaalsContact C-N 3.26Å; N137-T139 PolarHBondContact O-N 3.21Å; N137-T139 WeakPolarHBondContact OD1-CA 3.27Å; N137-T139 VanDerWaalsContact OD1-CB 3.26Å; N137-T139 WeakPolarHBondContact OD1-CB 3.46Å; N137-T139 PolarHBondContact OD1-N 2.92Å; N137-L140 PolarHBondContact O-N 3.15Å; N137-L140 PolarHBondContact OD1-N 2.97Å; N137-F141 HydrophobicContact CB-CD2 4Å; N137-F141 HydrophobicContact CB-CE2 4.27Å; N137-F141 WeakPolarHBondContact O-CD2 3.3Å; N137-F141 PolarHBondContact O-N 3.35Å; N137-F141 VanDerWaalsContact O-N 3.1Å; N137-N152 WeakPolarHBondContact CB-O 3.25Å; N137-N152 PolarHBondContact ND2-O 2.87Å; N137-G153 PolarHBondContact N-O 3.34Å
138	N	97.7	Very high	97.9	Very high	44 Å²	44	34.9 Å²	34.9	24%	0.235	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.8	-179.3	71.2	-23.5	0	0	0	113.2	E100 E102 W136	E100-N138 VanDerWaalsContact C-OD1 3.28Å; E100-N138 VanDerWaalsContact CB-OD1 3.32Å; E100-N138 WeakPolarHBondContact CB-OD1 3.43Å; E100-N138 PolarHBondContact O-N 3.25Å; E100-N138 PolarHBondContact O-OD1 2.83Å; E102-N138 HydrophobicContact CB-CB 4.1Å; E102-N138 PolarHBondContact OE2-ND2 2.84Å; W136-N138 HydrophobicContact CD2-CB 4.41Å; W136-N138 HydrophobicContact CE3-CB 4.13Å; W136-N138 HydrophobicContact CH2-CB 3.45Å; W136-N138 VanDerWaalsContact CH2-CB 3.45Å; W136-N138 HydrophobicContact CZ2-CB 3.75Å; W136-N138 VanDerWaalsContact CZ3-CA 3.4Å; W136-N138 HydrophobicContact CZ3-CB 3.65Å; W136-N138 PolarHBondContact O-N 2.88Å; W136-N138 VanDerWaalsContact O-N 3.08Å
139	T	98.1	Very high	97.8	Very high	67 Å²	67	35.6 Å²	35.6	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-35.9	167.4	-51.4	0	0	0	0	111.8	E100 N137	E100-T139 PolarHBondContact N-OG1 2.89Å; N137-T139 VanDerWaalsContact C-N 3.26Å; N137-T139 PolarHBondContact O-N 3.21Å; N137-T139 WeakPolarHBondContact OD1-CA 3.27Å; N137-T139 VanDerWaalsContact OD1-CB 3.26Å; N137-T139 WeakPolarHBondContact OD1-CB 3.46Å; N137-T139 PolarHBondContact OD1-N 2.92Å
140	L	98	Very high	97.7	Very high	89 Å²	89	40.6 Å²	40.6	47%	0.466	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-28.1	-172.9	-66.8	-171.2	0	0	0	115.1	H99 N137	H99-L140 VanDerWaalsContact CE1-CD1 3.47Å; H99-L140 WeakPolarHBondContact CE1-CD1 3.13Å; N137-L140 PolarHBondContact O-N 3.15Å; N137-L140 PolarHBondContact OD1-N 2.97Å
141	F	98.1	Very high	97.6	Very high	42 Å²	42	48.1 Å²	48.1	18%	0.184	25%	0.247	C	C	.	.			trans	-120.3	173.6	-173.1	-54.5	-75.7	0	0	0	110.5	W136 N137 D146 A147 K150	W136-F141 HydrophobicContact CE3-CB 4.27Å; W136-F141 HydrophobicContact CZ3-CB 4.28Å; W136-F141 VanDerWaalsContact CZ3-O 3.31Å; W136-F141 WeakPolarHBondContact CZ3-O 3.42Å; N137-F141 HydrophobicContact CB-CD2 4Å; N137-F141 HydrophobicContact CB-CE2 4.27Å; N137-F141 WeakPolarHBondContact O-CD2 3.3Å; N137-F141 PolarHBondContact O-N 3.35Å; N137-F141 VanDerWaalsContact O-N 3.1Å; F141-D146 HydrophobicContact CB-CB 4.21Å; F141-D146 HydrophobicContact CD1-CB 4.46Å; F141-A147 HydrophobicContact CB-CB 4.02Å; F141-A147 HydrophobicContact CD1-CB 4.45Å; F141-A147 HydrophobicContact CD2-CB 3.59Å; F141-A147 HydrophobicContact CE2-CB 4.23Å; F141-A147 HydrophobicContact CG-CB 3.74Å; F141-K150 HydrophobicContact CE1-CB 3.88Å; F141-K150 HydrophobicContact CE1-CG 3.79Å; F141-K150 HydrophobicContact CE2-CB 4.34Å; F141-K150 HydrophobicContact CZ-CB 3.53Å; F141-K150 HydrophobicContact CZ-CG 4Å
142	N	97.1	Very high	97.5	Very high	145 Å²	145	50.1 Å²	50.1	78%	0.775	26%	0.258	S	S	*	.	S	Bend	trans	-107.3	-12.9	176.9	-61.3	-59	0	0	0	113.2	W136	W136-N142 VanDerWaalsContact CZ3-C 3.48Å
143	S	96.2	Very high	97.5	Very high	30 Å²	30	50 Å²	50	21%	0.21	26%	0.257	C	S	.	.	S	Bend	trans	-156	166.8	-179.9	68.6	0	0	0	0	111.1	E145 D146 A147	S143-E145 VanDerWaalsContact C-N 3.29Å; S143-E145 VanDerWaalsContact CB-OE2 3.31Å; S143-E145 WeakPolarHBondContact CB-OE2 3.32Å; S143-E145 PolarHBondContact OG-N 3.11Å; S143-E145 PolarHBondContact OG-OE2 3.12Å; S143-D146 PolarHBondContact O-N 3.07Å; S143-D146 PolarHBondContact OG-N 3.35Å; S143-D146 VanDerWaalsContact OG-N 3.12Å; S143-A147 PolarHBondContact O-N 3.4Å
144	L	96.2	Very high	97.5	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-42.9	171	172.6	61.7	0	0	0	110.3	H104 I134 W136 D146 A147 L148 V154	H104-L144 HydrophobicContact CB-CD2 4.45Å; I134-L144 HydrophobicContact CG2-CD1 4.29Å; I134-L144 HydrophobicContact CG2-CD2 4.33Å; W136-L144 HydrophobicContact CB-CB 4.13Å; W136-L144 HydrophobicContact CB-CD1 3.81Å; W136-L144 HydrophobicContact CG-CB 4.12Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.3Å; L144-A147 WeakPolarHBondContact O-CB 3.4Å; L144-A147 PolarHBondContact O-N 3.27Å; L144-L148 HydrophobicContact CD1-CD2 4.15Å; L144-L148 HydrophobicContact CG-CD2 4.48Å; L144-L148 WeakPolarHBondContact O-CG 2.91Å; L144-L148 PolarHBondContact O-N 3.42Å; L144-L148 VanDerWaalsContact O-N 3.08Å; L144-V154 HydrophobicContact CD1-CG2 3.92Å
145	E	96.1	Very high	97.5	Very high	121 Å²	121	49.8 Å²	49.8	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-59.3	-40.7	-178.5	-64.6	73.1	-160.2	0	0	112.2	S143 A147 L148	S143-E145 VanDerWaalsContact C-N 3.29Å; S143-E145 VanDerWaalsContact CB-OE2 3.31Å; S143-E145 WeakPolarHBondContact CB-OE2 3.32Å; S143-E145 PolarHBondContact OG-N 3.11Å; S143-E145 PolarHBondContact OG-OE2 3.12Å; E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 3.01Å; E145-L148 PolarHBondContact O-N 3.38Å
146	D	96.9	Very high	97.5	Very high	80 Å²	80	49.9 Å²	49.9	43%	0.428	26%	0.257	S	S	.	.	H	α-helix	trans	-67.3	-31.4	176.9	-74.9	-11.3	0	0	0	112.2	F141 S143 L144 K150	F141-D146 HydrophobicContact CB-CB 4.21Å; F141-D146 HydrophobicContact CD1-CB 4.46Å; S143-D146 PolarHBondContact O-N 3.07Å; S143-D146 PolarHBondContact OG-N 3.35Å; S143-D146 VanDerWaalsContact OG-N 3.12Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.3Å; D146-K150 VanDerWaalsContact O-CG 3.31Å; D146-K150 WeakPolarHBondContact O-CG 3.44Å
147	A	97.8	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-82	-21.1	-177.3	0	0	0	0	0	113.4	W136 F141 S143 L144 E145 G149 K150 G153 V154	W136-A147 HydrophobicContact CB-CB 4.27Å; F141-A147 HydrophobicContact CB-CB 4.02Å; F141-A147 HydrophobicContact CD1-CB 4.45Å; F141-A147 HydrophobicContact CD2-CB 3.59Å; F141-A147 HydrophobicContact CE2-CB 4.23Å; F141-A147 HydrophobicContact CG-CB 3.74Å; S143-A147 PolarHBondContact O-N 3.4Å; L144-A147 WeakPolarHBondContact O-CB 3.4Å; L144-A147 PolarHBondContact O-N 3.27Å; E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 3.01Å; A147-G149 PolarHBondContact O-N 2.83Å; A147-K150 VanDerWaalsContact O-CB 3.31Å; A147-K150 WeakPolarHBondContact O-CB 3.31Å; A147-K150 WeakPolarHBondContact O-CG 3.25Å; A147-K150 PolarHBondContact O-N 3.49Å; A147-K150 VanDerWaalsContact O-N 3.11Å; A147-G153 WeakPolarHBondContact CB-O 3.3Å; A147-V154 HydrophobicContact CB-CG2 4.4Å
148	L	96.4	Very high	97.5	Very high	52 Å²	52	48.6 Å²	48.6	27%	0.272	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	130.7	-179.6	-69.6	-179.3	0	0	0	112.2	L144 E145 K150 V154 L213	L144-L148 HydrophobicContact CD1-CD2 4.15Å; L144-L148 HydrophobicContact CG-CD2 4.48Å; L144-L148 WeakPolarHBondContact O-CG 2.91Å; L144-L148 PolarHBondContact O-N 3.42Å; L144-L148 VanDerWaalsContact O-N 3.08Å; E145-L148 PolarHBondContact O-N 3.38Å; L148-K150 PolarHBondContact O-N 3.27Å; L148-V154 HydrophobicContact CD2-CG2 4.05Å; L148-L213 HydrophobicContact CD2-CD1 3.87Å
149	G	95.8	Very high	97.6	Very high	26 Å²	26	46.5 Å²	46.5	27%	0.268	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	6.1	179.4	0	0	0	0	0	114.8	A147 E220 K221	A147-G149 PolarHBondContact O-N 2.83Å; G149-E220 WeakPolarHBondContact CA-O 3.44Å; G149-K221 WeakPolarHBondContact O-CD 2.92Å; G149-K221 PolarHBondContact O-NZ 3.38Å
150	K	97.9	Very high	97.6	Very high	106 Å²	106	43.3 Å²	43.3	46%	0.461	22%	0.221	S	C	.	.	S	Bend	trans	-96.9	145.1	176.7	-50.3	-59.7	178.1	175.6	0	110.2	F141 D146 A147 L148 N152 G153	F141-K150 HydrophobicContact CE1-CB 3.88Å; F141-K150 HydrophobicContact CE1-CG 3.79Å; F141-K150 HydrophobicContact CE2-CB 4.34Å; F141-K150 HydrophobicContact CZ-CB 3.53Å; F141-K150 HydrophobicContact CZ-CG 4Å; D146-K150 VanDerWaalsContact O-CG 3.31Å; D146-K150 WeakPolarHBondContact O-CG 3.44Å; A147-K150 VanDerWaalsContact O-CB 3.31Å; A147-K150 WeakPolarHBondContact O-CB 3.31Å; A147-K150 WeakPolarHBondContact O-CG 3.25Å; A147-K150 PolarHBondContact O-N 3.49Å; A147-K150 VanDerWaalsContact O-N 3.11Å; L148-K150 PolarHBondContact O-N 3.27Å; K150-N152 PolarHBondContact O-N 3.18Å; K150-G153 PolarHBondContact O-N 2.96Å; K150-G153 VanDerWaalsContact O-N 3.11Å
151	K	96.6	Very high	97.7	Very high	158 Å²	158	39.1 Å²	39.1	69%	0.687	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	135.5	173.7	-175.9	179.4	-178.8	-179.7	0	108.8	G153 K221	K151-G153 PolarHBondContact O-N 3.1Å; K151-K221 HydrophobicContact CB-CD 4.39Å
152	N	96.8	Very high	97.7	Very high	42 Å²	42	40.9 Å²	40.9	23%	0.225	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	26.3	-176.9	-54.2	-20.7	0	0	0	112.6	Y101 N137 K150	Y101-N152 WeakPolarHBondContact OH-CA 3.48Å; Y101-N152 WeakPolarHBondContact OH-CB 3.07Å; Y101-N152 PolarHBondContact OH-O 2.89Å; Y101-N152 VanDerWaalsContact OH-O 3.08Å; N137-N152 WeakPolarHBondContact CB-O 3.25Å; N137-N152 PolarHBondContact ND2-O 2.87Å; K150-N152 PolarHBondContact O-N 3.18Å
153	G	98.2	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.			trans	-86.7	-44.8	-177.2	0	0	0	0	0	112.9	W136 N137 A147 K150 K151	W136-G153 CarbonylContact C-O 3.19Å; W136-G153 WeakPolarHBondContact CA-O 3.46Å; N137-G153 PolarHBondContact N-O 3.34Å; A147-G153 WeakPolarHBondContact CB-O 3.3Å; K150-G153 PolarHBondContact O-N 2.96Å; K150-G153 VanDerWaalsContact O-N 3.11Å; K151-G153 PolarHBondContact O-N 3.1Å
154	V	98.8	Very high	97.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.2	-171.4	179.9	0	0	0	0	110.3	I134 H135 L144 A147 L148 I156 V222 T223	I134-V154 HydrophobicContact CG2-CG1 4.41Å; H135-V154 WeakPolarHBondContact O-CA 3.39Å; H135-V154 WeakPolarHBondContact O-CG1 3.43Å; L144-V154 HydrophobicContact CD1-CG2 3.92Å; A147-V154 HydrophobicContact CB-CG2 4.4Å; L148-V154 HydrophobicContact CD2-CG2 4.05Å; V154-I156 HydrophobicContact CG1-CD1 4.47Å; V154-I156 HydrophobicContact CG1-CG1 4.02Å; V154-V222 HydrophobicContact CB-CG2 4.23Å; V154-V222 HydrophobicContact CG1-CG1 4.15Å; V154-V222 HydrophobicContact CG1-CG2 4.19Å; V154-T223 PolarHBondContact O-N 3.01Å
155	L	98.8	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.1	169.7	162.2	69.6	0	0	0	108.1	V90 L95 Y101 H135 I157 T223 I225	V90-L155 HydrophobicContact CB-CD2 4.03Å; V90-L155 HydrophobicContact CG1-CD2 3.93Å; L95-L155 HydrophobicContact CD1-CD2 3.85Å; L95-L155 HydrophobicContact CD2-CB 4.44Å; L95-L155 HydrophobicContact CD2-CD1 4.27Å; L95-L155 HydrophobicContact CD2-CD2 4.07Å; L95-L155 HydrophobicContact CD2-CG 4.49Å; Y101-L155 HydrophobicContact CD1-CB 3.58Å; Y101-L155 HydrophobicContact CE1-CB 4Å; Y101-L155 HydrophobicContact CG-CB 4.14Å; Y101-L155 HydrophobicContact CG-CD2 4.33Å; H135-L155 WeakPolarHBondContact CA-O 3.07Å; H135-L155 HydrophobicContact CB-CB 4.2Å; H135-L155 HydrophobicContact CB-CD2 4.47Å; H135-L155 WeakPolarHBondContact CB-O 3.41Å; H135-L155 PolarHBondContact N-O 2.73Å; H135-L155 PolarHBondContact ND1-O 3.39Å; H135-L155 PolarHBondContact O-N 2.74Å; L155-I157 HydrophobicContact CD1-CG1 4.49Å; L155-I157 HydrophobicContact CG-CG1 4.48Å; L155-T223 WeakPolarHBondContact CA-O 3.1Å; L155-T223 HydrophobicContact CD1-CG2 4.15Å; L155-T223 WeakPolarHBondContact CD1-O 3.34Å; L155-I225 HydrophobicContact CD1-CB 4.33Å; L155-I225 HydrophobicContact CD1-CD1 3.61Å; L155-I225 HydrophobicContact CD1-CG1 3.7Å
156	I	98.9	Very high	98.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.8	169.7	-56.7	-177.9	0	0	0	109.5	H132 L133 I134 V154 L213 V222 T223 W224 I225	H132-I156 HydrophobicContact CB-CG2 3.68Å; L133-I156 WeakPolarHBondContact O-CA 3.17Å; I134-I156 HydrophobicContact CG1-CD1 4.16Å; I134-I156 HydrophobicContact CG1-CG1 4.2Å; I134-I156 HydrophobicContact CG1-CG2 4.47Å; I134-I156 HydrophobicContact CG2-CG1 4.41Å; V154-I156 HydrophobicContact CG1-CD1 4.47Å; V154-I156 HydrophobicContact CG1-CG1 4.02Å; I156-L213 HydrophobicContact CD1-CD2 3.95Å; I156-V222 HydrophobicContact CB-CG1 4.2Å; I156-V222 HydrophobicContact CD1-CG1 3.82Å; I156-V222 HydrophobicContact CG1-CG1 3.71Å; I156-T223 PolarHBondContact N-O 3.39Å; I156-W224 HydrophobicContact CB-CD2 4.21Å; I156-W224 HydrophobicContact CB-CE3 3.9Å; I156-W224 HydrophobicContact CB-CH2 3.97Å; I156-W224 HydrophobicContact CB-CZ2 4.28Å; I156-W224 HydrophobicContact CB-CZ3 3.79Å; I156-W224 HydrophobicContact CD1-CH2 3.87Å; I156-W224 HydrophobicContact CD1-CZ2 3.77Å; I156-W224 HydrophobicContact CG2-CE3 3.85Å; I156-W224 HydrophobicContact CG2-CH2 3.57Å; I156-W224 HydrophobicContact CG2-CZ2 4.35Å; I156-W224 HydrophobicContact CG2-CZ3 3.28Å; I156-W224 WeakPolarHBondContact O-CA 3.46Å; I156-I225 PolarHBondContact O-N 3.08Å
157	I	98.9	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.4	168.4	-63.6	176.3	0	0	0	108	V90 L133 L155 L159 I225 F227	V90-I157 HydrophobicContact CG1-CD1 4.4Å; V90-I157 HydrophobicContact CG2-CD1 4Å; L133-I157 HydrophobicContact CB-CB 4.23Å; L133-I157 PolarHBondContact N-O 2.74Å; L133-I157 PolarHBondContact O-N 2.91Å; L155-I157 HydrophobicContact CD1-CG1 4.49Å; L155-I157 HydrophobicContact CG-CG1 4.48Å; I157-L159 HydrophobicContact CG2-CD2 3.48Å; I157-L159 VanDerWaalsContact CG2-CD2 3.48Å; I157-I225 CarbonylContact C-O 3.48Å; I157-I225 VanDerWaalsContact CA-O 3.3Å; I157-I225 WeakPolarHBondContact CA-O 3.31Å; I157-I225 HydrophobicContact CG1-CB 4.09Å; I157-I225 HydrophobicContact CG1-CG2 4.31Å; I157-F227 HydrophobicContact CG2-CD2 3.71Å; I157-F227 HydrophobicContact CG2-CE2 3.58Å
158	A	98.9	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131	178.6	0	0	0	0	0	111.7	E130 L131 W224 I225 L226 F227	E130-A158 HydrophobicContact CG-CB 4.48Å; L131-A158 WeakPolarHBondContact O-CA 3.34Å; A158-W224 HydrophobicContact CB-CE3 4Å; A158-W224 HydrophobicContact CB-CZ3 3.87Å; A158-I225 PolarHBondContact N-O 3.45Å; A158-L226 HydrophobicContact CB-CG 4.12Å; A158-F227 PolarHBondContact O-N 3.37Å; A158-F227 VanDerWaalsContact O-N 3.11Å
159	L	98.9	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.4	179.9	-80.3	-78.2	0	0	0	108.6	E130 L131 L133 I157 L197 P199 F227 L231	E130-L159 CarbonylContact C-O 3.58Å; E130-L159 VanDerWaalsContact CA-O 3.3Å; E130-L159 WeakPolarHBondContact CA-O 3.49Å; L131-L159 HydrophobicContact CB-CB 4.36Å; L131-L159 HydrophobicContact CD1-CB 3.64Å; L131-L159 PolarHBondContact N-O 2.92Å; L131-L159 PolarHBondContact O-N 3.48Å; L133-L159 HydrophobicContact CD1-CD2 4.18Å; I157-L159 HydrophobicContact CG2-CD2 3.48Å; I157-L159 VanDerWaalsContact CG2-CD2 3.48Å; L159-L197 WeakPolarHBondContact CD1-O 3.42Å; L159-L197 WeakPolarHBondContact CG-O 3.37Å; L159-P199 HydrophobicContact CD1-CG 4.05Å; L159-F227 HydrophobicContact CD1-CB 4.34Å; L159-F227 HydrophobicContact CD1-CD2 3.97Å; L159-F227 HydrophobicContact CD2-CD2 3.72Å; L159-F227 HydrophobicContact CD2-CE2 4.44Å; L159-L231 HydrophobicContact CB-CD1 4.31Å; L159-L231 HydrophobicContact CD1-CD1 4.17Å; L159-L231 HydrophobicContact CD1-CD2 4.23Å; L159-L231 HydrophobicContact CD1-CG 3.98Å; L159-L231 HydrophobicContact CG-CD1 4.31Å
160	F	98.9	Very high	98.2	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147.4	168	-62.9	-64.7	0	0	0	110.7	H120 V122 F127 L226 P230 L231	H120-F160 HydrophobicContact CB-CE1 3.77Å; H120-F160 HydrophobicContact CB-CZ 3.74Å; V122-F160 HydrophobicContact CG2-CD2 4.49Å; V122-F160 HydrophobicContact CG2-CE2 3.6Å; V122-F160 HydrophobicContact CG2-CZ 3.67Å; F127-F160 HydrophobicContact CB-CB 4.37Å; F127-F160 HydrophobicContact CB-CD1 4.29Å; F127-F160 HydrophobicContact CD1-CB 3.94Å; F127-F160 HydrophobicContact CD2-CB 3.86Å; F127-F160 AromaticContact CD2-CD1 3.35Å; F127-F160 HydrophobicContact CD2-CD1 3.35Å; F127-F160 HydrophobicContact CD2-CD2 4.47Å; F127-F160 AromaticContact CD2-CE1 3.99Å; F127-F160 HydrophobicContact CD2-CE1 3.99Å; F127-F160 AromaticContact CD2-CG 3.64Å; F127-F160 HydrophobicContact CD2-CG 3.64Å; F127-F160 HydrophobicContact CE1-CB 4.12Å; F127-F160 HydrophobicContact CE2-CB 4.06Å; F127-F160 AromaticContact CE2-CD1 3.81Å; F127-F160 HydrophobicContact CE2-CD1 3.81Å; F127-F160 HydrophobicContact CE2-CD2 4.13Å; F127-F160 HydrophobicContact CE2-CE1 4.29Å; F127-F160 AromaticContact CE2-CG 3.72Å; F127-F160 HydrophobicContact CE2-CG 3.72Å; F127-F160 HydrophobicContact CG-CB 3.8Å; F127-F160 AromaticContact CG-CD1 3.95Å; F127-F160 HydrophobicContact CG-CD1 3.95Å; F127-F160 HydrophobicContact CG-CG 4.1Å; F127-F160 HydrophobicContact CZ-CB 4.18Å; F127-F160 HydrophobicContact CZ-CG 4.24Å; F160-L226 HydrophobicContact CZ-CD2 4.22Å; F160-P230 HydrophobicContact CB-CB 3.99Å; F160-P230 CarbonylContact O-C 3.58Å; F160-P230 WeakPolarHBondContact O-CA 3.39Å; F160-P230 WeakPolarHBondContact O-CB 3.41Å; F160-L231 PolarHBondContact O-N 3.36Å
161	V	98.9	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.9	178.8	-168	0	0	0	0	110.4	P128 M129 L131 L231 I233	P128-V161 VanDerWaalsContact CD-O 3.26Å; P128-V161 WeakPolarHBondContact CD-O 3.38Å; M129-V161 HydrophobicContact CB-CB 3.9Å; M129-V161 HydrophobicContact CB-CG2 4.21Å; M129-V161 HydrophobicContact CG-CB 4.06Å; M129-V161 HydrophobicContact CG-CG2 3.82Å; M129-V161 WeakPolarHBondContact O-CB 3.36Å; M129-V161 PolarHBondContact O-N 2.94Å; M129-V161 HydrophobicContact SD-CB 4.38Å; M129-V161 HydrophobicContact SD-CG1 4.4Å; M129-V161 HydrophobicContact SD-CG2 4.11Å; L131-V161 HydrophobicContact CD1-CG2 3.09Å; L131-V161 HydrophobicContact CG-CG2 4.12Å; V161-L231 WeakPolarHBondContact CA-O 3.33Å; V161-L231 HydrophobicContact CG1-CB 4.47Å; V161-L231 HydrophobicContact CG2-CB 4.46Å; V161-I233 HydrophobicContact CG1-CB 4.18Å; V161-I233 HydrophobicContact CG1-CD1 3.9Å; V161-I233 HydrophobicContact CG1-CG1 3.68Å; V161-I233 HydrophobicContact CG1-CG2 3.7Å
162	Q	98.5	Very high	98	Very high	80 Å²	80	34.8 Å²	34.8	37%	0.374	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	160.5	173.8	65.8	-175.3	1.3	0	0	112	P230 L231 T232 I233	Q162-P230 HydrophobicContact CG-CB 4.36Å; Q162-P230 HydrophobicContact CG-CG 4.24Å; Q162-L231 PolarHBondContact N-O 2.93Å; Q162-T232 HydrophobicContact CG-CG2 3.86Å; Q162-T232 WeakPolarHBondContact O-CA 3.21Å; Q162-I233 PolarHBondContact O-N 3Å
163	I	98.7	Very high	98	Very high	56 Å²	56	32.8 Å²	32.8	29%	0.287	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.8	173.3	-54.6	-52.5	0	0	0	109.6	N114 P128 I233 Q235 I238	N114-I163 HydrophobicContact CB-CG1 4.48Å; P128-I163 HydrophobicContact CB-CD1 4.13Å; P128-I163 HydrophobicContact CB-CG1 4.28Å; P128-I163 HydrophobicContact CG-CD1 4.26Å; P128-I163 HydrophobicContact CG-CG1 3.92Å; I163-I233 CarbonylContact C-O 3.49Å; I163-I233 WeakPolarHBondContact CA-O 3.12Å; I163-I233 HydrophobicContact CD1-CG1 4.2Å; I163-Q235 HydrophobicContact CG2-CB 4.33Å; I163-I238 HydrophobicContact CD1-CB 4.06Å; I163-I238 HydrophobicContact CD1-CD1 3.89Å; I163-I238 HydrophobicContact CD1-CG2 3.69Å
164	G	98.5	Very high	98	Very high	44 Å²	44	33.3 Å²	33.3	45%	0.454	18%	0.18	S	C	.	.	S	Bend	trans	-174.9	-127.8	-179.2	0	0	0	0	0	111.7	I233 S234	G164-I233 CarbonylContact C-O 3.57Å; G164-I233 PolarHBondContact N-O 3.33Å; G164-S234 WeakPolarHBondContact O-CA 3.3Å
165	K	98.2	Very high	97.9	Very high	160 Å²	160	38.8 Å²	38.8	70%	0.696	21%	0.206	S	C	*	.	S	Bend	trans	-70.9	149.2	178.2	-175.2	-180	172.1	-175.2	0	110.8	H167 T232 I233 S234	K165-H167 PolarHBondContact O-N 3.12Å; K165-T232 CarbonylContact O-C 3.42Å; K165-T232 VanDerWaalsContact O-O 3.14Å; K165-T232 PolarHBondContact O-OG1 2.78Å; K165-I233 CarbonylContact O-C 3.59Å; K165-I233 WeakPolarHBondContact O-CA 3.43Å; K165-S234 PolarHBondContact O-N 3.42Å
166	E	98.5	Very high	97.8	Very high	70 Å²	70	39.4 Å²	39.4	33%	0.327	21%	0.21	S	C	.	.			trans	-53	131.6	169.6	-174.1	-170.5	-140.6	0	0	111.4	L168 K171	E166-L168 PolarHBondContact O-N 3.15Å; E166-L168 WeakPolarHBondContact OE2-CD2 3.48Å; E166-K171 IonicContact OE1-NZ 3.1Å; E166-K171 PolarHBondContact OE1-NZ 3.46Å; E166-K171 IonicContact OE2-NZ 2.7Å
167	H	98.5	Very high	97.8	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.106	21%	0.21	C	C	.	.			trans	-88.5	102.8	173.1	-163.6	-83.8	0	0	0	110.4	K165 G169 L170 K171 T196 T232 I233 Q237	K165-H167 PolarHBondContact O-N 3.12Å; H167-G169 VanDerWaalsContact C-N 3.28Å; H167-G169 PolarHBondContact ND1-N 3.32Å; H167-G169 PolarHBondContact O-N 3.13Å; H167-L170 HydrophobicContact CB-CB 4.1Å; H167-L170 HydrophobicContact CB-CD1 4.22Å; H167-L170 HydrophobicContact CB-CG 4.48Å; H167-L170 WeakPolarHBondContact ND1-CG 3.35Å; H167-L170 PolarHBondContact ND1-N 3.26Å; H167-L170 VanDerWaalsContact ND1-N 3.12Å; H167-L170 PolarHBondContact O-N 2.94Å; H167-L170 VanDerWaalsContact O-N 3.1Å; H167-K171 PolarHBondContact O-N 3.23Å; H167-T196 PolarHBondContact CE1-O 3.02Å; H167-T196 PolarHBondContact NE2-O 2.72Å; H167-T232 VanDerWaalsContact CB-O 3.3Å; H167-T232 WeakPolarHBondContact CB-O 3.41Å; H167-I233 HydrophobicContact CB-CG2 3.8Å; H167-Q237 PolarHBondContact O-NE2 3.32Å
168	L	97.3	Very high	97.6	Very high	123 Å²	123	45.9 Å²	45.9	64%	0.644	24%	0.24	S	C	*	.	H	α-helix	trans	-60.4	-36.5	-175.2	-63.1	179.5	0	0	0	113.1	E166 L170 K171	E166-L168 PolarHBondContact O-N 3.15Å; E166-L168 WeakPolarHBondContact OE2-CD2 3.48Å; L168-L170 VanDerWaalsContact C-N 3.3Å; L168-L170 PolarHBondContact O-N 2.85Å; L168-K171 VanDerWaalsContact O-CB 3.3Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 3.1Å
169	G	95.6	Very high	97.6	Very high	18 Å²	18	49.7 Å²	49.7	19%	0.186	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-27.4	178.3	0	0	0	0	0	114.2	H167 T196	H167-G169 VanDerWaalsContact C-N 3.28Å; H167-G169 PolarHBondContact ND1-N 3.32Å; H167-G169 PolarHBondContact O-N 3.13Å; G169-T196 WeakPolarHBondContact CA-OG1 3.04Å
170	L	97.4	Very high	97.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-91.3	-9.1	179	-75.6	172.5	0	0	0	112.1	F108 L131 H167 L168 A172 I173 T174 F192 L197 I233	F108-L170 HydrophobicContact CE1-CD2 3.87Å; F108-L170 HydrophobicContact CZ-CD2 3.88Å; L131-L170 HydrophobicContact CD2-CD1 4.27Å; L131-L170 HydrophobicContact CD2-CD2 4.33Å; H167-L170 HydrophobicContact CB-CB 4.1Å; H167-L170 HydrophobicContact CB-CD1 4.22Å; H167-L170 HydrophobicContact CB-CG 4.48Å; H167-L170 WeakPolarHBondContact ND1-CG 3.35Å; H167-L170 PolarHBondContact ND1-N 3.26Å; H167-L170 VanDerWaalsContact ND1-N 3.12Å; H167-L170 PolarHBondContact O-N 2.94Å; H167-L170 VanDerWaalsContact O-N 3.1Å; L168-L170 VanDerWaalsContact C-N 3.3Å; L168-L170 PolarHBondContact O-N 2.85Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 2.72Å; L170-I173 HydrophobicContact CD2-CG1 4.18Å; L170-I173 WeakPolarHBondContact O-CA 3.37Å; L170-I173 WeakPolarHBondContact O-CB 3.45Å; L170-I173 PolarHBondContact O-N 2.96Å; L170-T174 PolarHBondContact O-N 3.39Å; L170-T174 PolarHBondContact O-OG1 2.77Å; L170-F192 HydrophobicContact CD2-CE2 4.48Å; L170-L197 HydrophobicContact CD1-CD2 4.26Å; L170-L197 HydrophobicContact CD2-CD2 3.64Å; L170-L197 HydrophobicContact CG-CD2 3.82Å; L170-I233 HydrophobicContact CD1-CG2 3.79Å
171	K	96.5	Very high	97.5	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.317	27%	0.274	S	S	.	.	H	α-helix	trans	-56.6	-42.6	178	-173.5	171.5	-171.8	140.4	0	112.3	E166 H167 L168 I173 T174 E175	E166-K171 IonicContact OE1-NZ 3.1Å; E166-K171 PolarHBondContact OE1-NZ 3.46Å; E166-K171 IonicContact OE2-NZ 2.7Å; H167-K171 PolarHBondContact O-N 3.23Å; L168-K171 VanDerWaalsContact O-CB 3.3Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 3.1Å; K171-I173 PolarHBondContact O-N 2.95Å; K171-I173 VanDerWaalsContact O-N 3.13Å; K171-T174 WeakPolarHBondContact CA-OG1 2.86Å; K171-T174 PolarHBondContact O-N 2.89Å; K171-T174 PolarHBondContact O-OG1 3.45Å; K171-E175 WeakPolarHBondContact CE-OE1 3.07Å; K171-E175 HydrophobicContact CG-CG 4.07Å; K171-E175 WeakPolarHBondContact CG-OE1 3.4Å; K171-E175 WeakPolarHBondContact O-CB 3.39Å; K171-E175 VanDerWaalsContact O-CG 3.32Å; K171-E175 WeakPolarHBondContact O-CG 3.11Å; K171-E175 PolarHBondContact O-N 2.91Å
172	A	94.2	Very high	97.4	Very high	36 Å²	36	55 Å²	55	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-24.8	175.9	0	0	0	0	0	113.4	L170	L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 2.72Å
173	I	97.2	Very high	97.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-86.7	-51.1	176.3	-48.2	-54.9	0	0	0	109.6	V73 V80 I82 L170 K171 E175 V176 L177 I189 F192	V73-I173 HydrophobicContact CG1-CG2 4.22Å; V73-I173 HydrophobicContact CG2-CD1 4.03Å; V80-I173 HydrophobicContact CG1-CG2 4.48Å; I82-I173 HydrophobicContact CD1-CD1 3.53Å; I82-I173 HydrophobicContact CD1-CG1 3.69Å; I82-I173 HydrophobicContact CD1-CG2 4.24Å; I82-I173 HydrophobicContact CG1-CD1 4.05Å; L170-I173 HydrophobicContact CD2-CG1 4.18Å; L170-I173 WeakPolarHBondContact O-CA 3.37Å; L170-I173 WeakPolarHBondContact O-CB 3.45Å; L170-I173 PolarHBondContact O-N 2.96Å; K171-I173 PolarHBondContact O-N 2.95Å; K171-I173 VanDerWaalsContact O-N 3.13Å; I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 PolarHBondContact O-N 2.96Å; I173-V176 WeakPolarHBondContact O-CG2 3.3Å; I173-V176 PolarHBondContact O-N 2.85Å; I173-V176 VanDerWaalsContact O-N 3.1Å; I173-L177 HydrophobicContact CG2-CD2 4.44Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 2.79Å; I173-I189 HydrophobicContact CD1-CD1 3.4Å; I173-I189 VanDerWaalsContact CD1-CD1 3.4Å; I173-F192 HydrophobicContact CD1-CD2 3.73Å; I173-F192 HydrophobicContact CD1-CE2 4Å; I173-F192 HydrophobicContact CD1-CG 4.38Å; I173-F192 HydrophobicContact CG1-CD2 4.09Å; I173-F192 HydrophobicContact CG1-CE2 3.9Å
174	T	97.5	Very high	97.3	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-32.3	-176	54.3	0	0	0	0	113.1	L170 K171 V176 L177 Q237 F241	L170-T174 PolarHBondContact O-N 3.39Å; L170-T174 PolarHBondContact O-OG1 2.77Å; K171-T174 WeakPolarHBondContact CA-OG1 2.86Å; K171-T174 PolarHBondContact O-N 2.89Å; K171-T174 PolarHBondContact O-OG1 3.45Å; T174-V176 PolarHBondContact O-N 2.92Å; T174-L177 HydrophobicContact CG2-CD1 4.4Å; T174-L177 PolarHBondContact O-N 2.9Å; T174-Q237 HydrophobicContact CG2-CB 3.94Å; T174-Q237 HydrophobicContact CG2-CG 3.94Å; T174-F241 HydrophobicContact CG2-CD2 4.41Å; T174-F241 HydrophobicContact CG2-CE2 3.8Å
175	E	96.4	Very high	97.3	Very high	116 Å²	116	57.3 Å²	57.3	54%	0.542	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.9	177.4	-74.8	178.4	170.5	0	0	113.7	K171 I173	K171-E175 WeakPolarHBondContact CE-OE1 3.07Å; K171-E175 HydrophobicContact CG-CG 4.07Å; K171-E175 WeakPolarHBondContact CG-OE1 3.4Å; K171-E175 WeakPolarHBondContact O-CB 3.39Å; K171-E175 VanDerWaalsContact O-CG 3.32Å; K171-E175 WeakPolarHBondContact O-CG 3.11Å; K171-E175 PolarHBondContact O-N 2.91Å; I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 PolarHBondContact O-N 2.96Å
176	V	97.4	Very high	97.3	Very high	14 Å²	14	54 Å²	54	9%	0.085	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-9.7	179.2	-61.2	0	0	0	0	113.8	V73 I173 T174 Q178 D179 L180 K187 I189	V73-V176 HydrophobicContact CG2-CG2 4.49Å; I173-V176 WeakPolarHBondContact O-CG2 3.3Å; I173-V176 PolarHBondContact O-N 2.85Å; I173-V176 VanDerWaalsContact O-N 3.1Å; T174-V176 PolarHBondContact O-N 2.92Å; V176-Q178 PolarHBondContact O-N 2.89Å; V176-D179 WeakPolarHBondContact O-CB 3.36Å; V176-D179 PolarHBondContact O-N 2.9Å; V176-L180 HydrophobicContact CG2-CD1 4.33Å; V176-K187 HydrophobicContact CB-CD 4Å; V176-K187 HydrophobicContact CG1-CD 3.96Å; V176-I189 HydrophobicContact CG1-CG2 3.95Å; V176-I189 HydrophobicContact CG2-CG2 4.07Å
177	L	98.1	Very high	97.3	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.6	-30.6	-174.8	-67.9	-176.6	0	0	0	113.6	V80 I173 T174 D179 L180 Q181 E240 F241 L244	V80-L177 HydrophobicContact CG1-CD2 4.18Å; V80-L177 HydrophobicContact CG2-CD2 3.84Å; I173-L177 HydrophobicContact CG2-CD2 4.44Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 2.79Å; T174-L177 HydrophobicContact CG2-CD1 4.4Å; T174-L177 PolarHBondContact O-N 2.9Å; L177-D179 PolarHBondContact O-N 2.7Å; L177-L180 CarbonylContact O-C 3.37Å; L177-L180 WeakPolarHBondContact O-CA 3.25Å; L177-L180 PolarHBondContact O-N 2.71Å; L177-Q181 PolarHBondContact O-N 2.84Å; L177-E240 HydrophobicContact CB-CB 4.32Å; L177-E240 HydrophobicContact CD1-CB 3.9Å; L177-F241 HydrophobicContact CD1-CD1 3.98Å; L177-F241 HydrophobicContact CD1-CD2 3.72Å; L177-F241 HydrophobicContact CD1-CE1 4.08Å; L177-F241 HydrophobicContact CD1-CE2 3.83Å; L177-F241 HydrophobicContact CD1-CG 3.8Å; L177-F241 HydrophobicContact CD1-CZ 4.01Å; L177-L244 HydrophobicContact CB-CD2 4.38Å; L177-L244 HydrophobicContact CD2-CD1 4.4Å
178	Q	96.4	Very high	97.2	Very high	135 Å²	135	58 Å²	58	63%	0.631	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.5	-31.7	174.5	64.6	-180	-4.6	0	0	113.1	V176 L180	V176-Q178 PolarHBondContact O-N 2.89Å; Q178-L180 VanDerWaalsContact C-N 3.28Å
179	D	97.2	Very high	97.2	Very high	80 Å²	80	52.4 Å²	52.4	43%	0.428	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-80.1	-16.7	177.5	-58.8	-34.2	0	0	0	111.7	V176 L177 K187	V176-D179 WeakPolarHBondContact O-CB 3.36Å; V176-D179 PolarHBondContact O-N 2.9Å; L177-D179 PolarHBondContact O-N 2.7Å; D179-K187 HydrophobicContact CB-CD 4.21Å; D179-K187 IonicContact OD2-NZ 3.86Å; D179-K187 PolarHBondContact OD2-NZ 2.87Å
180	L	97.8	Very high	97.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-105.8	19.6	-176	-53.4	-176.8	0	0	0	112.6	V73 N75 V176 L177 Q178 Y182 K185 K187 L244	V73-L180 HydrophobicContact CB-CD1 3.82Å; V73-L180 HydrophobicContact CG1-CD1 3.48Å; V73-L180 VanDerWaalsContact CG1-CD1 3.48Å; N75-L180 HydrophobicContact CB-CB 4.29Å; N75-L180 WeakPolarHBondContact CB-O 3.28Å; N75-L180 PolarHBondContact ND2-O 2.67Å; V176-L180 HydrophobicContact CG2-CD1 4.33Å; L177-L180 CarbonylContact O-C 3.37Å; L177-L180 WeakPolarHBondContact O-CA 3.25Å; L177-L180 PolarHBondContact O-N 2.71Å; Q178-L180 VanDerWaalsContact C-N 3.28Å; L180-Y182 PolarHBondContact O-N 2.84Å; L180-K185 HydrophobicContact CD2-CB 4.1Å; L180-K187 HydrophobicContact CD2-CB 3.78Å; L180-K187 HydrophobicContact CG-CB 4.47Å; L180-L244 WeakPolarHBondContact O-CD2 3.13Å
181	Q	98.1	Very high	97	Very high	63 Å²	63	59.8 Å²	59.8	29%	0.294	32%	0.319	S	S	.	.			trans	-54.7	-33.8	-168.8	-172.3	178.3	22.6	0	0	114.1	N75 L177 R243 L244 R245	N75-Q181 PolarHBondContact ND2-O 3.28Å; L177-Q181 PolarHBondContact O-N 2.84Å; Q181-R243 WeakPolarHBondContact CG-O 3.45Å; Q181-R243 PolarHBondContact NE2-O 3.26Å; Q181-L244 CarbonylContact O-C 3.45Å; Q181-R245 HydrophobicContact CG-CG 4.24Å; Q181-R245 WeakPolarHBondContact O-CA 3.44Å; Q181-R245 WeakPolarHBondContact O-CB 3.49Å; Q181-R245 PolarHBondContact O-N 3.11Å
182	Y	98.4	Very high	97.1	Very high	50 Å²	50	56.5 Å²	56.5	20%	0.196	30%	0.304	C	S	.	.	S	Bend	trans	-113.5	154.9	-173.5	-61.6	-89.8	0	0	0	112.4	N75 L180 K185 R245 H247 K249	N75-Y182 VanDerWaalsContact ND2-C 3.34Å; N75-Y182 PolarHBondContact ND2-O 3.48Å; L180-Y182 PolarHBondContact O-N 2.84Å; Y182-K185 WeakPolarHBondContact O-CB 3.48Å; Y182-K185 VanDerWaalsContact O-CG 3.31Å; Y182-K185 WeakPolarHBondContact O-CG 3.31Å; Y182-K185 PolarHBondContact O-N 3.35Å; Y182-R245 HydrophobicContact CD1-CB 3.84Å; Y182-R245 HydrophobicContact CD1-CG 3.93Å; Y182-R245 HydrophobicContact CE1-CB 4.25Å; Y182-R245 HydrophobicContact CE1-CG 3.82Å; Y182-R245 HydrophobicContact CG-CB 4.48Å; Y182-H247 WeakPolarHBondContact CB-O 3.35Å; Y182-K249 HydrophobicContact CD1-CB 3.9Å; Y182-K249 HydrophobicContact CD1-CG 4.41Å; Y182-K249 HydrophobicContact CD2-CB 3.97Å; Y182-K249 HydrophobicContact CD2-CD 4.36Å; Y182-K249 HydrophobicContact CD2-CG 4.27Å; Y182-K249 HydrophobicContact CE1-CB 4.17Å; Y182-K249 HydrophobicContact CE1-CG 4.18Å; Y182-K249 HydrophobicContact CE2-CB 4.28Å; Y182-K249 HydrophobicContact CE2-CD 4.11Å; Y182-K249 HydrophobicContact CE2-CG 4.07Å; Y182-K249 HydrophobicContact CG-CB 3.79Å; Y182-K249 HydrophobicContact CG-CG 4.45Å
183	K	97.9	Very high	97.2	Very high	64 Å²	64	57.2 Å²	57.2	28%	0.278	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	138.7	175.3	176.6	171.4	-174.6	168.8	0	111.4	D19 N75 D76 K185 S246 H247 I248	D19-K183 IonicContact OD1-NZ 3.82Å; N75-K183 CarbonylContact O-C 3.56Å; D76-K183 WeakPolarHBondContact O-CE 3.41Å; D76-K183 WeakPolarHBondContact O-CG 3.48Å; K183-K185 VanDerWaalsContact C-N 3.27Å; K183-K185 PolarHBondContact O-N 3.44Å; K183-S246 WeakPolarHBondContact CD-O 3.4Å; K183-H247 VanDerWaalsContact CB-C 3.42Å; K183-H247 PolarHBondContact N-O 2.85Å; K183-I248 HydrophobicContact CB-CG2 4.31Å; K183-I248 HydrophobicContact CG-CG2 4.45Å
184	G	97.2	Very high	97.2	Very high	54 Å²	54	57.2 Å²	57.2	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-2.7	178.3	0	0	0	0	0	114.6	N75	N75-G184 PolarHBondContact O-N 3.07Å
185	K	98.3	Very high	97.2	Very high	110 Å²	110	59.4 Å²	59.4	48%	0.478	32%	0.315	S	S	.	.			trans	-77.6	136.7	173.1	-65.8	-63.5	-177.8	-173.8	0	110.4	N75 L180 Y182 K183	N75-K185 PolarHBondContact N-O 2.98Å; L180-K185 HydrophobicContact CD2-CB 4.1Å; Y182-K185 WeakPolarHBondContact O-CB 3.48Å; Y182-K185 VanDerWaalsContact O-CG 3.31Å; Y182-K185 WeakPolarHBondContact O-CG 3.31Å; Y182-K185 PolarHBondContact O-N 3.35Å; K183-K185 VanDerWaalsContact C-N 3.27Å; K183-K185 PolarHBondContact O-N 3.44Å
186	N	97.9	Very high	97.3	Very high	90 Å²	90	56.2 Å²	56.2	48%	0.481	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	161.4	174.2	68.2	61.6	0	0	0	111.4	E72 V73 I74	E72-N186 HydrophobicContact CG-CB 4.15Å; E72-N186 WeakPolarHBondContact OE1-CB 3.24Å; V73-N186 CarbonylContact O-C 3.25Å; V73-N186 WeakPolarHBondContact O-CA 3.35Å; I74-N186 HydrophobicContact CB-CB 4.41Å; I74-N186 HydrophobicContact CG1-CB 3.87Å; I74-N186 HydrophobicContact CG2-CB 4.39Å
187	K	98	Very high	97.3	Very high	75 Å²	75	55.5 Å²	55.5	33%	0.326	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	135.8	172.7	-174.9	160	175.7	-172.4	0	110.4	V73 V176 D179 L180	V73-K187 PolarHBondContact N-O 3.27Å; V73-K187 PolarHBondContact O-N 3.19Å; V176-K187 HydrophobicContact CB-CD 4Å; V176-K187 HydrophobicContact CG1-CD 3.96Å; D179-K187 HydrophobicContact CB-CD 4.21Å; D179-K187 IonicContact OD2-NZ 3.86Å; D179-K187 PolarHBondContact OD2-NZ 2.87Å; L180-K187 HydrophobicContact CD2-CB 3.78Å; L180-K187 HydrophobicContact CG-CB 4.47Å
188	I	97.4	Very high	97.3	Very high	101 Å²	101	56 Å²	56	52%	0.518	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.1	171.8	-60.4	173.9	0	0	0	108.5	E70 C71	E70-I188 HydrophobicContact CB-CG2 3.94Å; C71-I188 WeakPolarHBondContact O-CA 3.31Å
189	I	96.3	Very high	97.2	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.6	172.1	60.9	175.2	0	0	0	110.5	E70 C71 V73 I173 V176 C191 F192	E70-I189 VanDerWaalsContact CA-O 3.28Å; E70-I189 WeakPolarHBondContact CA-O 3.42Å; E70-I189 PolarHBondContact N-O 2.92Å; C71-I189 HydrophobicContact CB-CG1 4.11Å; C71-I189 PolarHBondContact N-O 2.96Å; C71-I189 WeakPolarHBondContact O-CG1 3.17Å; C71-I189 PolarHBondContact O-N 3.35Å; V73-I189 HydrophobicContact CG2-CD1 3.76Å; V73-I189 HydrophobicContact CG2-CG1 4.06Å; V73-I189 HydrophobicContact CG2-CG2 4.04Å; I173-I189 HydrophobicContact CD1-CD1 3.4Å; I173-I189 VanDerWaalsContact CD1-CD1 3.4Å; V176-I189 HydrophobicContact CG1-CG2 3.95Å; V176-I189 HydrophobicContact CG2-CG2 4.07Å; I189-C191 VanDerWaalsContact C-N 3.27Å; I189-C191 PolarHBondContact O-N 2.86Å; I189-F192 HydrophobicContact CD1-CB 3.91Å
190	P	95.1	Very high	97.1	Very high	109 Å²	109	50.6 Å²	50.6	71%	0.708	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	-32.7	-175.1	-24.5	33.9	0	0	0	113.9	R69 E70	R69-P190 WeakPolarHBondContact CA-O 3.35Å; E70-P190 PolarHBondContact N-O 3.5Å
191	C	94.6	Very high	96.9	Very high	66 Å²	66	54.8 Å²	54.8	45%	0.446	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	135.6	-170	-178.3	0	0	0	0	111.3	V67 C68 I189	V67-C191 WeakPolarHBondContact CG1-SG 3.17Å; C68-C191 CarbonylContact O-C 3.51Å; C68-C191 WeakPolarHBondContact O-CA 3.48Å; I189-C191 VanDerWaalsContact C-N 3.27Å; I189-C191 PolarHBondContact O-N 2.86Å
192	F	97.2	Very high	96.7	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.013	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.3	167.6	-179.8	-111.4	0	0	0	109.9	C68 I82 L84 V106 L170 I173 I189 P194 L197	C68-F192 PolarHBondContact N-O 3.03Å; C68-F192 PolarHBondContact O-N 3.11Å; I82-F192 HydrophobicContact CD1-CE1 4.12Å; I82-F192 HydrophobicContact CD1-CE2 4.21Å; I82-F192 HydrophobicContact CD1-CZ 3.9Å; I82-F192 HydrophobicContact CG2-CD1 4.04Å; I82-F192 HydrophobicContact CG2-CE1 4.35Å; I82-F192 HydrophobicContact CG2-CG 4.49Å; L84-F192 HydrophobicContact CD2-CD1 4.23Å; V106-F192 HydrophobicContact CG2-CE1 4.44Å; L170-F192 HydrophobicContact CD2-CE2 4.48Å; I173-F192 HydrophobicContact CD1-CD2 3.73Å; I173-F192 HydrophobicContact CD1-CE2 4Å; I173-F192 HydrophobicContact CD1-CG 4.38Å; I173-F192 HydrophobicContact CG1-CD2 4.09Å; I173-F192 HydrophobicContact CG1-CE2 3.9Å; I189-F192 HydrophobicContact CD1-CB 3.91Å; F192-P194 HydrophobicContact CE1-CB 4.09Å; F192-P194 WeakPolarHBondContact O-CD 3.36Å; F192-L197 HydrophobicContact CE1-CD1 4.32Å; F192-L197 HydrophobicContact CZ-CD1 3.86Å; F192-L197 HydrophobicContact CZ-CD2 4.18Å; F192-L197 HydrophobicContact CZ-CG 4.02Å
193	N	97.3	Very high	96.5	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.273	34%	0.338	S	S	.	.			trans	-109.9	102	177.7	-173.7	-0	0	0	0	110.4	V67 N195 T196	V67-N193 HydrophobicContact CG2-CB 4.08Å; N193-N195 PolarHBondContact O-N 3.05Å; N193-N195 VanDerWaalsContact O-N 3.17Å; N193-N195 VanDerWaalsContact OD1-CB 3.31Å; N193-N195 WeakPolarHBondContact OD1-CB 3.42Å; N193-N195 PolarHBondContact OD1-N 3.2Å; N193-N195 VanDerWaalsContact OD1-N 3.11Å; N193-N195 PolarHBondContact OD1-ND2 2.85Å; N193-T196 HydrophobicContact CB-CG2 4.06Å; N193-T196 WeakPolarHBondContact O-CB 3.38Å; N193-T196 WeakPolarHBondContact O-CG2 3.42Å; N193-T196 PolarHBondContact O-N 2.77Å; N193-T196 PolarHBondContact O-OG1 2.82Å
194	P	97.5	Very high	96.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.5	-17.5	-180	19.6	-25.4	0	0	0	113.6	Y65 V66 L84 L103 F192 T196 L197	Y65-P194 HydrophobicContact CD2-CB 3.91Å; Y65-P194 HydrophobicContact CD2-CG 4.37Å; Y65-P194 HydrophobicContact CE2-CB 4.47Å; Y65-P194 HydrophobicContact CG-CB 4.36Å; Y65-P194 HydrophobicContact CG-CG 4.34Å; V66-P194 WeakPolarHBondContact O-CD 3.34Å; L84-P194 HydrophobicContact CD2-CB 4.1Å; L84-P194 HydrophobicContact CD2-CG 3.62Å; L103-P194 HydrophobicContact CD2-CB 3.77Å; L103-P194 HydrophobicContact CD2-CG 3.97Å; F192-P194 HydrophobicContact CE1-CB 4.09Å; F192-P194 WeakPolarHBondContact O-CD 3.36Å; P194-T196 PolarHBondContact O-N 3.22Å; P194-T196 VanDerWaalsContact O-N 3.17Å; P194-L197 WeakPolarHBondContact O-CB 3.37Å; P194-L197 PolarHBondContact O-N 2.86Å
195	N	96.8	Very high	96.5	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-57.9	-28.9	169.9	-76.2	-73.3	0	0	0	112.6	Y65 N193 L197 L198	Y65-N195 VanDerWaalsContact C-ND2 3.31Å; Y65-N195 WeakPolarHBondContact CB-ND2 3.26Å; Y65-N195 PolarHBondContact O-ND2 2.87Å; N193-N195 PolarHBondContact O-N 3.05Å; N193-N195 VanDerWaalsContact O-N 3.17Å; N193-N195 VanDerWaalsContact OD1-CB 3.31Å; N193-N195 WeakPolarHBondContact OD1-CB 3.42Å; N193-N195 PolarHBondContact OD1-N 3.2Å; N193-N195 VanDerWaalsContact OD1-N 3.11Å; N193-N195 PolarHBondContact OD1-ND2 2.85Å; N195-L197 PolarHBondContact O-N 3.43Å; N195-L198 PolarHBondContact O-N 2.92Å; N195-L198 VanDerWaalsContact O-N 3.11Å
196	T	97.6	Very high	96.5	Very high	48 Å²	48	54.9 Å²	54.9	29%	0.294	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.7	179.2	65.5	0	0	0	0	112.4	H167 G169 N193 P194	H167-T196 PolarHBondContact CE1-O 3.02Å; H167-T196 PolarHBondContact NE2-O 2.72Å; G169-T196 WeakPolarHBondContact CA-OG1 3.04Å; N193-T196 HydrophobicContact CB-CG2 4.06Å; N193-T196 WeakPolarHBondContact O-CB 3.38Å; N193-T196 WeakPolarHBondContact O-CG2 3.42Å; N193-T196 PolarHBondContact O-N 2.77Å; N193-T196 PolarHBondContact O-OG1 2.82Å; P194-T196 PolarHBondContact O-N 3.22Å; P194-T196 VanDerWaalsContact O-N 3.17Å
197	L	98.3	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-86	-11.3	176.5	-54	-174	0	0	0	113.1	V106 L131 L133 L159 L170 F192 P194 N195 L231	V106-L197 HydrophobicContact CG1-CD1 3.95Å; V106-L197 HydrophobicContact CG2-CD1 3.94Å; L131-L197 HydrophobicContact CD2-CD1 4.24Å; L131-L197 HydrophobicContact CD2-CD2 4.1Å; L133-L197 HydrophobicContact CD1-CB 4.49Å; L133-L197 HydrophobicContact CD1-CD1 3.96Å; L133-L197 HydrophobicContact CD2-CD1 4.5Å; L133-L197 HydrophobicContact CG-CD1 4.34Å; L159-L197 WeakPolarHBondContact CD1-O 3.42Å; L159-L197 WeakPolarHBondContact CG-O 3.37Å; L170-L197 HydrophobicContact CD1-CD2 4.26Å; L170-L197 HydrophobicContact CD2-CD2 3.64Å; L170-L197 HydrophobicContact CG-CD2 3.82Å; F192-L197 HydrophobicContact CE1-CD1 4.32Å; F192-L197 HydrophobicContact CZ-CD1 3.86Å; F192-L197 HydrophobicContact CZ-CD2 4.18Å; F192-L197 HydrophobicContact CZ-CG 4.02Å; P194-L197 WeakPolarHBondContact O-CB 3.37Å; P194-L197 PolarHBondContact O-N 2.86Å; N195-L197 PolarHBondContact O-N 3.43Å; L197-L231 HydrophobicContact CB-CD1 4.4Å; L197-L231 HydrophobicContact CD2-CD1 4.48Å; L197-L231 WeakPolarHBondContact O-CD1 3.48Å
198	L	97.8	Very high	96.6	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-82.8	144.1	178.4	-63.9	174.5	0	0	0	109.6	P63 Y65 N195 F227	P63-L198 HydrophobicContact CB-CD1 3.63Å; P63-L198 HydrophobicContact CB-CD2 4.4Å; P63-L198 HydrophobicContact CG-CD1 4.08Å; P63-L198 HydrophobicContact CG-CD2 4.31Å; Y65-L198 HydrophobicContact CD2-CD1 3.69Å; Y65-L198 HydrophobicContact CD2-CG 4.07Å; Y65-L198 HydrophobicContact CE2-CD1 3.78Å; Y65-L198 HydrophobicContact CE2-CD2 3.82Å; Y65-L198 HydrophobicContact CE2-CG 3.88Å; N195-L198 PolarHBondContact O-N 2.92Å; N195-L198 VanDerWaalsContact O-N 3.11Å; L198-F227 HydrophobicContact CD2-CE2 3.83Å; L198-F227 HydrophobicContact CD2-CZ 4.48Å
199	P	95.6	Very high	96.7	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.071	24%	0.239	C	C	.	.			trans	-60.7	161.3	168.8	-17.9	33.1	0	0	0	110.2	L159 L203 R204 F227	L159-P199 HydrophobicContact CD1-CG 4.05Å; P199-L203 HydrophobicContact CB-CB 4.34Å; P199-L203 WeakPolarHBondContact CB-O 3.38Å; P199-R204 HydrophobicContact CB-CG 4.48Å; P199-R204 PolarHBondContact O-NE 2.86Å; P199-F227 HydrophobicContact CG-CB 3.98Å; P199-F227 HydrophobicContact CG-CD1 4.22Å; P199-F227 HydrophobicContact CG-CD2 4.01Å; P199-F227 HydrophobicContact CG-CG 3.82Å
200	D	93.9	Very high	96.8	Very high	90 Å²	90	46.4 Å²	46.4	48%	0.481	26%	0.255	S	S	.	.			trans	-45.9	137.4	168.7	-174.3	-77.4	0	0	0	109.7	L202 L203 R204	D200-L202 PolarHBondContact O-N 3Å; D200-L202 WeakPolarHBondContact OD1-CB 3.23Å; D200-L202 PolarHBondContact OD1-N 2.95Å; D200-L203 HydrophobicContact CB-CB 4.3Å; D200-L203 HydrophobicContact CB-CD1 4.15Å; D200-L203 HydrophobicContact CB-CG 4.18Å; D200-L203 CarbonylContact O-C 3.58Å; D200-L203 WeakPolarHBondContact O-CA 3.18Å; D200-L203 PolarHBondContact O-N 3.22Å; D200-R204 WeakPolarHBondContact O-CG 3.21Å
201	P	93.1	Very high	97	Very high	90 Å²	90	41.3 Å²	41.3	58%	0.584	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-49.4	-30.6	-179.4	-30.1	36.7	0	0	0	115.2	L203	P201-L203 VanDerWaalsContact C-N 3.3Å
202	L	93.6	Very high	97.2	Very high	156 Å²	156	38.1 Å²	38.1	82%	0.817	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-79.6	-10.5	177.5	-59.1	177.1	0	0	0	113.8	D200	D200-L202 PolarHBondContact O-N 3Å; D200-L202 WeakPolarHBondContact OD1-CB 3.23Å; D200-L202 PolarHBondContact OD1-N 2.95Å
203	L	96	Very high	97.3	Very high	70 Å²	70	38.9 Å²	38.9	37%	0.366	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-116.3	33.2	-176.6	-59	-179.2	0	0	0	111.5	P199 D200 P201 Y229	P199-L203 HydrophobicContact CB-CB 4.34Å; P199-L203 WeakPolarHBondContact CB-O 3.38Å; D200-L203 HydrophobicContact CB-CB 4.3Å; D200-L203 HydrophobicContact CB-CD1 4.15Å; D200-L203 HydrophobicContact CB-CG 4.18Å; D200-L203 CarbonylContact O-C 3.58Å; D200-L203 WeakPolarHBondContact O-CA 3.18Å; D200-L203 PolarHBondContact O-N 3.22Å; P201-L203 VanDerWaalsContact C-N 3.3Å; L203-Y229 HydrophobicContact CB-CD1 4.29Å; L203-Y229 HydrophobicContact CB-CD2 3.8Å; L203-Y229 HydrophobicContact CB-CE2 4.18Å; L203-Y229 HydrophobicContact CB-CG 3.84Å; L203-Y229 HydrophobicContact CD1-CD1 4.4Å; L203-Y229 HydrophobicContact CD2-CD1 4.16Å; L203-Y229 HydrophobicContact CD2-CE1 3.82Å; L203-Y229 HydrophobicContact CD2-CE2 4.18Å; L203-Y229 HydrophobicContact CD2-CG 4.49Å; L203-Y229 WeakPolarHBondContact O-CD2 3.15Å
204	R	96.3	Very high	97.3	Very high	68 Å²	68	36.7 Å²	36.7	26%	0.257	19%	0.194	S	C	.	.			trans	-97.6	28.7	-178.1	-70.6	-174.8	-176.7	-177.5	0.2	113.7	P199 D200 Y206 F227	P199-R204 HydrophobicContact CB-CG 4.48Å; P199-R204 PolarHBondContact O-NE 2.86Å; D200-R204 WeakPolarHBondContact O-CG 3.21Å; R204-Y206 WeakPolarHBondContact O-CD1 3.28Å; R204-Y206 PolarHBondContact O-N 2.89Å; R204-F227 HydrophobicContact CB-CD1 4.36Å; R204-F227 HydrophobicContact CB-CE1 3.71Å; R204-F227 HydrophobicContact CB-CZ 4.46Å; R204-F227 HydrophobicContact CG-CE1 3.96Å; R204-F227 HydrophobicContact CG-CZ 4.32Å
205	D	98.4	Very high	97.3	Very high	40 Å²	40	37.1 Å²	37.1	21%	0.214	20%	0.196	C	C	.	.			trans	-56.5	132.5	166.1	-74.2	-3.2	0	0	0	109.5	R228 Y229 F280	D205-R228 HydrophobicContact CB-CB 3.85Å; D205-R228 HydrophobicContact CB-CG 4.49Å; D205-R228 WeakPolarHBondContact O-CB 3.5Å; D205-R228 PolarHBondContact O-N 3.49Å; D205-R228 IonicContact OD2-CZ 3.51Å; D205-R228 IonicContact OD2-NH1 3.74Å; D205-R228 PolarHBondContact OD2-NH1 3.04Å; D205-Y229 HydrophobicContact CB-CD2 4.3Å; D205-Y229 HydrophobicContact CB-CE2 3.86Å; D205-F280 HydrophobicContact CB-CB 4.43Å; D205-F280 HydrophobicContact CB-CD1 3.61Å; D205-F280 HydrophobicContact CB-CE1 4Å; D205-F280 HydrophobicContact CB-CG 4.01Å
206	Y	98.8	Very high	97.2	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.9	179.1	68.5	-90.4	0	0	0	112.9	L56 L61 G93 R204 V208 I225 L226 F227 A279	L56-Y206 HydrophobicContact CD1-CE2 4.37Å; L56-Y206 PolarHBondContact O-OH 3.07Å; L61-Y206 HydrophobicContact CB-CE1 3.79Å; L61-Y206 HydrophobicContact CD2-CD1 4.13Å; L61-Y206 HydrophobicContact CD2-CE1 4.11Å; G93-Y206 WeakPolarHBondContact CA-OH 3.3Å; R204-Y206 WeakPolarHBondContact O-CD1 3.28Å; R204-Y206 PolarHBondContact O-N 2.89Å; Y206-V208 HydrophobicContact CE2-CB 4.44Å; Y206-I225 HydrophobicContact CD2-CG1 4.49Å; Y206-I225 HydrophobicContact CD2-CG2 3.77Å; Y206-I225 HydrophobicContact CG-CG2 3.88Å; Y206-L226 CarbonylContact C-O 3.59Å; Y206-L226 WeakPolarHBondContact CA-O 3.41Å; Y206-L226 WeakPolarHBondContact CB-O 3.31Å; Y206-F227 HydrophobicContact CD1-CE1 4.49Å; Y206-A279 HydrophobicContact CD1-CB 3.81Å; Y206-A279 HydrophobicContact CD2-CB 4.22Å; Y206-A279 HydrophobicContact CE1-CB 3.42Å; Y206-A279 VanDerWaalsContact CE1-CB 3.42Å; Y206-A279 HydrophobicContact CE2-CB 3.88Å; Y206-A279 HydrophobicContact CG-CB 4.19Å; Y206-A279 VanDerWaalsContact CZ-CB 3.47Å; Y206-A279 PolarHBondContact O-N 3.14Å
207	W	98.9	Very high	97.1	Very high	9 Å²	9	35.5 Å²	35.5	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	155.6	164	-61.8	-79.1	0	0	0	110.7	L45 V122 I225 L226 R228 I276 R277 F280	L45-W207 HydrophobicContact CD1-CB 3.57Å; L45-W207 HydrophobicContact CD1-CD2 3.57Å; L45-W207 HydrophobicContact CD1-CE3 3.77Å; L45-W207 HydrophobicContact CD1-CG 3.51Å; L45-W207 HydrophobicContact CD2-CD2 3.69Å; L45-W207 HydrophobicContact CD2-CE3 4.12Å; L45-W207 HydrophobicContact CD2-CG 4.09Å; L45-W207 HydrophobicContact CD2-CH2 4.21Å; L45-W207 HydrophobicContact CD2-CZ2 3.79Å; L45-W207 HydrophobicContact CD2-CZ3 4.35Å; L45-W207 HydrophobicContact CG-CD2 4.3Å; L45-W207 HydrophobicContact CG-CG 4.38Å; V122-W207 HydrophobicContact CG1-CH2 4.1Å; V122-W207 HydrophobicContact CG2-CZ3 4.31Å; W207-I225 CarbonylContact O-C 3.47Å; W207-I225 WeakPolarHBondContact O-CA 3.47Å; W207-L226 HydrophobicContact CE3-CB 4.41Å; W207-L226 PolarHBondContact N-O 3.12Å; W207-L226 PolarHBondContact O-N 3.36Å; W207-R228 HydrophobicContact CH2-CB 4.06Å; W207-R228 HydrophobicContact CH2-CG 3.81Å; W207-R228 HydrophobicContact CZ3-CB 3.89Å; W207-R228 HydrophobicContact CZ3-CG 4.14Å; W207-I276 HydrophobicContact CB-CG2 4.03Å; W207-I276 HydrophobicContact CG-CG2 4.33Å; W207-R277 CarbonylContact C-O 3.45Å; W207-R277 VanDerWaalsContact CA-O 3.23Å; W207-R277 WeakPolarHBondContact CA-O 3.08Å; W207-F280 HydrophobicContact CD2-CE1 4.24Å; W207-F280 HydrophobicContact CD2-CZ 4.3Å; W207-F280 AromaticContact CE2-CE1 3.87Å; W207-F280 AromaticContact CE2-CZ 3.49Å; W207-F280 VanDerWaalsContact CE2-CZ 3.49Å; W207-F280 HydrophobicContact CG-CE1 4.45Å; W207-F280 HydrophobicContact CH2-CZ 4.43Å; W207-F280 HydrophobicContact CZ2-CE1 4.3Å; W207-F280 AromaticContact CZ2-CZ 3.58Å; W207-F280 HydrophobicContact CZ2-CZ 3.58Å; W207-F280 AromaticContact NE1-CE1 3.79Å; W207-F280 AromaticContact NE1-CZ 3.46Å
208	V	98.9	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.3	174	60.1	0	0	0	0	111.9	L56 P94 Y206 T223 W224 I225 R277	L56-V208 HydrophobicContact CD1-CG1 3.78Å; L56-V208 HydrophobicContact CD2-CG1 4.02Å; P94-V208 HydrophobicContact CB-CB 4.42Å; P94-V208 HydrophobicContact CB-CG1 4.31Å; P94-V208 HydrophobicContact CB-CG2 3.73Å; P94-V208 HydrophobicContact CG-CB 4.38Å; P94-V208 HydrophobicContact CG-CG2 3.75Å; Y206-V208 HydrophobicContact CE2-CB 4.44Å; V208-T223 HydrophobicContact CG2-CG2 3.93Å; V208-W224 WeakPolarHBondContact CA-O 3.45Å; V208-W224 VanDerWaalsContact CG2-O 3.28Å; V208-W224 WeakPolarHBondContact CG2-O 3.28Å; V208-I225 HydrophobicContact CG2-CG1 4.48Å; V208-R277 HydrophobicContact CG1-CB 3.77Å; V208-R277 PolarHBondContact N-O 3.37Å; V208-R277 PolarHBondContact O-N 3.47Å
209	Y	98.9	Very high	97.1	Very high	3 Å²	3	36 Å²	36	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163	169.6	81.3	-80.7	0	0	0	111.1	S41 I43 H120 W224 L226	S41-Y209 VanDerWaalsContact CB-OH 3.28Å; S41-Y209 WeakPolarHBondContact CB-OH 3.42Å; S41-Y209 PolarHBondContact OG-OH 3.42Å; I43-Y209 HydrophobicContact CD1-CD1 3.92Å; I43-Y209 HydrophobicContact CD1-CD2 3.9Å; I43-Y209 HydrophobicContact CD1-CE1 3.89Å; I43-Y209 HydrophobicContact CD1-CE2 3.91Å; I43-Y209 HydrophobicContact CD1-CG 3.93Å; I43-Y209 HydrophobicContact CG1-CD1 4.46Å; I43-Y209 HydrophobicContact CG1-CE1 3.93Å; I43-Y209 HydrophobicContact CG1-CE2 4.14Å; I43-Y209 HydrophobicContact CG2-CE2 4.22Å; H120-Y209 AromaticContact NE2-CE1 3.59Å; H120-Y209 AromaticContact NE2-CZ 3.59Å; H120-Y209 PolarHBondContact NE2-OH 2.79Å; Y209-W224 HydrophobicContact CD1-CB 3.65Å; Y209-W224 HydrophobicContact CD1-CG 4.32Å; Y209-W224 HydrophobicContact CE1-CB 3.42Å; Y209-W224 VanDerWaalsContact CE1-CB 3.42Å; Y209-W224 HydrophobicContact CE1-CD2 4.42Å; Y209-W224 AromaticContact CE1-CG 3.65Å; Y209-W224 HydrophobicContact CE1-CG 3.65Å; Y209-W224 HydrophobicContact CG-CB 4.4Å; Y209-W224 AromaticContact CZ-CD1 3.63Å; Y209-W224 AromaticContact CZ-CG 3.74Å; Y209-W224 PolarHBondContact N-O 2.99Å; Y209-W224 PolarHBondContact O-N 2.79Å; Y209-L226 HydrophobicContact CD1-CD1 3.69Å; Y209-L226 HydrophobicContact CE1-CD1 3.71Å
210	E	98.7	Very high	97.2	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.383	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.8	173.6	-68.4	-66.3	132.8	0	0	110.5	T223 R274	E210-T223 WeakPolarHBondContact OE1-CB 3.45Å; E210-T223 PolarHBondContact OE1-OG1 2.85Å; E210-R274 WeakPolarHBondContact O-CD 3.37Å; E210-R274 PolarHBondContact O-NH1 2.99Å; E210-R274 VanDerWaalsContact O-NH1 3.15Å
211	G	98.7	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-147.3	-173.3	0	0	0	0	0	113.4	Y39 S41 E220 K221 V222	Y39-G211 CarbonylContact O-C 3.58Å; Y39-G211 VanDerWaalsContact O-C 3.23Å; Y39-G211 VanDerWaalsContact O-CA 3.25Å; Y39-G211 WeakPolarHBondContact O-CA 3.39Å; S41-G211 WeakPolarHBondContact OG-CA 3.48Å; G211-E220 CarbonylContact O-C 3.6Å; G211-E220 WeakPolarHBondContact O-CA 3.47Å; G211-K221 PolarHBondContact O-N 2.99Å; G211-V222 PolarHBondContact N-O 2.87Å; G211-V222 PolarHBondContact O-N 2.03Å
212	S	98.8	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	173.8	-179.2	74.6	0	0	0	0	112.3	Y39 Q40 S41 C218 S219 W224	Y39-S212 PolarHBondContact O-N 3.27Å; Q40-S212 WeakPolarHBondContact CA-OG 3.36Å; Q40-S212 PolarHBondContact OE1-OG 3.3Å; S41-S212 VanDerWaalsContact CB-O 3.31Å; S41-S212 WeakPolarHBondContact CB-O 3.49Å; S41-S212 PolarHBondContact N-OG 3.4Å; S41-S212 PolarHBondContact OG-N 3.12Å; S41-S212 PolarHBondContact OG-O 3.08Å; S212-C218 WeakPolarHBondContact CB-O 3.45Å; S212-S219 CarbonylContact C-O 3.58Å; S212-S219 WeakPolarHBondContact CA-O 3.37Å; S212-S219 WeakPolarHBondContact CB-O 3.46Å; S212-W224 WeakPolarHBondContact O-CZ2 3.45Å; S212-W224 PolarHBondContact O-NE1 3.49Å
213	L	98.6	Very high	97.9	Very high	18 Å²	18	27.1 Å²	27.1	9%	0.094	14%	0.135	C	C	.	.			trans	-60.3	144.3	155.2	-63.8	-179	0	0	0	109.6	L148 I156 S219 V222	L148-L213 HydrophobicContact CD2-CD1 3.87Å; I156-L213 HydrophobicContact CD1-CD2 3.95Å; L213-S219 PolarHBondContact N-O 3.25Å; L213-V222 HydrophobicContact CD2-CG2 4.13Å; L213-V222 HydrophobicContact CG-CG2 4.3Å
214	T	98.3	Very high	98	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.037	12%	0.118	C	C	.	.	S	Bend	trans	-88.8	-6.2	176.7	54.3	0	0	0	0	113.2	W28 P42 E119 W224	W28-T214 VanDerWaalsContact CZ3-O 3.23Å; W28-T214 WeakPolarHBondContact CZ3-O 3.49Å; P42-T214 HydrophobicContact CB-CG2 4.28Å; E119-T214 WeakPolarHBondContact OE2-CB 3.21Å; E119-T214 VanDerWaalsContact OE2-CG2 3.25Å; E119-T214 WeakPolarHBondContact OE2-CG2 3.45Å; E119-T214 PolarHBondContact OE2-OG1 2.86Å; T214-W224 HydrophobicContact CG2-CH2 4.06Å; T214-W224 HydrophobicContact CG2-CZ2 3.78Å
215	T	96.9	Very high	98.2	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.049	11%	0.106	C	C	.	.	S	Bend	trans	-118.6	158.5	172	64.9	0	0	0	0	110.2	W20 Y22 R107 C218	W20-T215 HydrophobicContact CH2-CG2 3.73Å; W20-T215 HydrophobicContact CZ3-CG2 4.33Å; Y22-T215 WeakPolarHBondContact OH-CG2 3.4Å; R107-T215 PolarHBondContact NH1-OG1 3.36Å; T215-C218 VanDerWaalsContact C-SG 3.56Å; T215-C218 WeakPolarHBondContact O-CA 3.46Å; T215-C218 PolarHBondContact O-N 3.04Å
216	P	95.8	Very high	98.2	Very high	16 Å²	16	18.6 Å²	18.6	10%	0.104	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	139.4	168.5	-33.6	40.7	0	0	0	112.8	W20 W28 F32 C218	W20-P216 HydrophobicContact CB-CG 4.4Å; W20-P216 HydrophobicContact CD2-CB 4.39Å; W20-P216 HydrophobicContact CD2-CG 3.67Å; W20-P216 HydrophobicContact CE3-CG 4.03Å; W20-P216 HydrophobicContact CG-CB 4.4Å; W20-P216 HydrophobicContact CG-CG 3.81Å; W28-P216 HydrophobicContact CD2-CG 3.95Å; W28-P216 HydrophobicContact CE3-CG 4.1Å; W28-P216 HydrophobicContact CG-CG 4.16Å; F32-P216 HydrophobicContact CD1-CB 3.83Å; F32-P216 HydrophobicContact CD2-CB 3.65Å; F32-P216 HydrophobicContact CD2-CG 3.71Å; F32-P216 HydrophobicContact CE1-CB 3.83Å; F32-P216 HydrophobicContact CE2-CB 3.66Å; F32-P216 HydrophobicContact CE2-CG 3.74Å; F32-P216 HydrophobicContact CG-CB 3.73Å; F32-P216 HydrophobicContact CG-CG 4.24Å; F32-P216 HydrophobicContact CZ-CB 3.75Å; F32-P216 HydrophobicContact CZ-CG 4.28Å; P216-C218 VanDerWaalsContact C-N 3.32Å
217	P	95.5	Very high	98.2	Very high	56 Å²	56	18.2 Å²	18.2	36%	0.364	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.7	10.1	8	34.9	-37.6	0	0	0	115.1	F32 A34 S219	F32-P217 HydrophobicContact CD1-CB 4.35Å; A34-P217 WeakPolarHBondContact CB-O 3.46Å; P217-S219 VanDerWaalsContact C-N 3.25Å; P217-S219 PolarHBondContact O-N 3.24Å
218	C	97.4	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.			trans	60.9	29.9	178.8	-55.3	0	0	0	0	114.4	A35 Q40 S212 T215 P216 E220	A35-C218 HydrophobicContact CB-CB 3.68Å; Q40-C218 PolarHBondContact NE2-O 3.35Å; S212-C218 WeakPolarHBondContact CB-O 3.45Å; T215-C218 VanDerWaalsContact C-SG 3.56Å; T215-C218 WeakPolarHBondContact O-CA 3.46Å; T215-C218 PolarHBondContact O-N 3.04Å; P216-C218 VanDerWaalsContact C-N 3.32Å; C218-E220 PolarHBondContact O-N 3.2Å
219	S	97.6	Very high	98.1	Very high	22 Å²	22	26.7 Å²	26.7	15%	0.154	13%	0.126	C	C	.	.			trans	-57.2	130.3	178	-62.1	0	0	0	0	111.8	S212 L213 P217	S212-S219 CarbonylContact C-O 3.58Å; S212-S219 WeakPolarHBondContact CA-O 3.37Å; S212-S219 WeakPolarHBondContact CB-O 3.46Å; L213-S219 PolarHBondContact N-O 3.25Å; P217-S219 VanDerWaalsContact C-N 3.25Å; P217-S219 PolarHBondContact O-N 3.24Å
220	E	98.3	Very high	98.1	Very high	46 Å²	46	28.5 Å²	28.5	22%	0.215	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-179.2	175.2	-62.6	-174.9	158.9	0	0	113	G37 E38 Y39 Q40 G149 G211 C218	G37-E220 WeakPolarHBondContact CA-OE1 3.2Å; E38-E220 PolarHBondContact N-OE1 2.84Å; Y39-E220 WeakPolarHBondContact CA-OE1 3.28Å; Y39-E220 PolarHBondContact N-OE1 3.11Å; Q40-E220 VanDerWaalsContact NE2-CG 3.34Å; Q40-E220 PolarHBondContact NE2-OE1 3.33Å; G149-E220 WeakPolarHBondContact CA-O 3.44Å; G211-E220 CarbonylContact O-C 3.6Å; G211-E220 WeakPolarHBondContact O-CA 3.47Å; C218-E220 PolarHBondContact O-N 3.2Å
221	K	97.7	Very high	98.1	Very high	108 Å²	108	25.3 Å²	25.3	47%	0.47	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.3	33.7	-177.2	-47.6	177.4	-164.4	150.4	0	113.3	G149 K151 G211	G149-K221 WeakPolarHBondContact O-CD 2.92Å; G149-K221 PolarHBondContact O-NZ 3.38Å; K151-K221 HydrophobicContact CB-CD 4.39Å; G211-K221 PolarHBondContact O-N 2.99Å
222	V	98.8	Very high	98.1	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.2	167.2	177.4	0	0	0	0	108.4	V154 I156 G211 L213 W224	V154-V222 HydrophobicContact CB-CG2 4.23Å; V154-V222 HydrophobicContact CG1-CG1 4.15Å; V154-V222 HydrophobicContact CG1-CG2 4.19Å; I156-V222 HydrophobicContact CB-CG1 4.2Å; I156-V222 HydrophobicContact CD1-CG1 3.82Å; I156-V222 HydrophobicContact CG1-CG1 3.71Å; G211-V222 PolarHBondContact N-O 2.87Å; G211-V222 PolarHBondContact O-N 2.03Å; L213-V222 HydrophobicContact CD2-CG2 4.13Å; L213-V222 HydrophobicContact CG-CG2 4.3Å; V222-W224 HydrophobicContact CG1-CG 4.41Å; V222-W224 PolarHBondContact O-N 3.3Å
223	T	98.9	Very high	98.1	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.025	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.3	166.6	-58.9	0	0	0	0	108	P94 V154 L155 I156 V208 E210	P94-T223 HydrophobicContact CG-CG2 4.1Å; V154-T223 PolarHBondContact O-N 3.01Å; L155-T223 WeakPolarHBondContact CA-O 3.1Å; L155-T223 HydrophobicContact CD1-CG2 4.15Å; L155-T223 WeakPolarHBondContact CD1-O 3.34Å; I156-T223 PolarHBondContact N-O 3.39Å; V208-T223 HydrophobicContact CG2-CG2 3.93Å; E210-T223 WeakPolarHBondContact OE1-CB 3.45Å; E210-T223 PolarHBondContact OE1-OG1 2.85Å
224	W	98.9	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.4	175.5	-80.1	90.4	0	0	0	111.1	S41 H120 H132 I156 A158 V208 Y209 S212 T214 V222 L226	S41-W224 PolarHBondContact OG-NE1 3.37Å; S41-W224 VanDerWaalsContact OG-NE1 3.1Å; H120-W224 AromaticContact CE1-CD2 3.9Å; H120-W224 AromaticContact CE1-CE3 3.56Å; H120-W224 AromaticContact CE1-CH2 3.91Å; H120-W224 AromaticContact CE1-CZ3 3.56Å; H132-W224 AromaticContact CD2-CH2 3.92Å; H132-W224 AromaticContact CD2-CZ3 3.68Å; H132-W224 AromaticContact CE1-CH2 3.35Å; H132-W224 WeakPolarHBondContact CE1-CH2 3.44Å; H132-W224 AromaticContact CE1-CZ3 3.85Å; H132-W224 AromaticContact CG-CH2 3.98Å; H132-W224 AromaticContact ND1-CH2 3.61Å; H132-W224 AromaticContact NE2-CH2 3.54Å; H132-W224 AromaticContact NE2-CZ3 3.53Å; I156-W224 HydrophobicContact CB-CD2 4.21Å; I156-W224 HydrophobicContact CB-CE3 3.9Å; I156-W224 HydrophobicContact CB-CH2 3.97Å; I156-W224 HydrophobicContact CB-CZ2 4.28Å; I156-W224 HydrophobicContact CB-CZ3 3.79Å; I156-W224 HydrophobicContact CD1-CH2 3.87Å; I156-W224 HydrophobicContact CD1-CZ2 3.77Å; I156-W224 HydrophobicContact CG2-CE3 3.85Å; I156-W224 HydrophobicContact CG2-CH2 3.57Å; I156-W224 HydrophobicContact CG2-CZ2 4.35Å; I156-W224 HydrophobicContact CG2-CZ3 3.28Å; I156-W224 WeakPolarHBondContact O-CA 3.46Å; A158-W224 HydrophobicContact CB-CE3 4Å; A158-W224 HydrophobicContact CB-CZ3 3.87Å; V208-W224 WeakPolarHBondContact CA-O 3.45Å; V208-W224 VanDerWaalsContact CG2-O 3.28Å; V208-W224 WeakPolarHBondContact CG2-O 3.28Å; Y209-W224 HydrophobicContact CD1-CB 3.65Å; Y209-W224 HydrophobicContact CD1-CG 4.32Å; Y209-W224 HydrophobicContact CE1-CB 3.42Å; Y209-W224 VanDerWaalsContact CE1-CB 3.42Å; Y209-W224 HydrophobicContact CE1-CD2 4.42Å; Y209-W224 AromaticContact CE1-CG 3.65Å; Y209-W224 HydrophobicContact CE1-CG 3.65Å; Y209-W224 HydrophobicContact CG-CB 4.4Å; Y209-W224 AromaticContact CZ-CD1 3.63Å; Y209-W224 AromaticContact CZ-CG 3.74Å; Y209-W224 PolarHBondContact N-O 2.99Å; Y209-W224 PolarHBondContact O-N 2.79Å; S212-W224 WeakPolarHBondContact O-CZ2 3.45Å; S212-W224 PolarHBondContact O-NE1 3.49Å; T214-W224 HydrophobicContact CG2-CH2 4.06Å; T214-W224 HydrophobicContact CG2-CZ2 3.78Å; V222-W224 HydrophobicContact CG1-CG 4.41Å; V222-W224 PolarHBondContact O-N 3.3Å; W224-L226 HydrophobicContact CB-CD1 4.02Å
225	I	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.1	167.8	-68	-179.1	0	0	0	108.1	L61 P94 L155 I156 I157 A158 Y206 W207 V208	L61-I225 HydrophobicContact CD1-CD1 3.52Å; L61-I225 HydrophobicContact CD2-CD1 3.89Å; L61-I225 HydrophobicContact CD2-CG2 3.89Å; L61-I225 HydrophobicContact CG-CD1 4.35Å; P94-I225 HydrophobicContact CG-CD1 3.76Å; P94-I225 HydrophobicContact CG-CG1 4.04Å; L155-I225 HydrophobicContact CD1-CB 4.33Å; L155-I225 HydrophobicContact CD1-CD1 3.61Å; L155-I225 HydrophobicContact CD1-CG1 3.7Å; I156-I225 PolarHBondContact O-N 3.08Å; I157-I225 CarbonylContact C-O 3.48Å; I157-I225 VanDerWaalsContact CA-O 3.3Å; I157-I225 WeakPolarHBondContact CA-O 3.31Å; I157-I225 HydrophobicContact CG1-CB 4.09Å; I157-I225 HydrophobicContact CG1-CG2 4.31Å; A158-I225 PolarHBondContact N-O 3.45Å; Y206-I225 HydrophobicContact CD2-CG1 4.49Å; Y206-I225 HydrophobicContact CD2-CG2 3.77Å; Y206-I225 HydrophobicContact CG-CG2 3.88Å; W207-I225 CarbonylContact O-C 3.47Å; W207-I225 WeakPolarHBondContact O-CA 3.47Å; V208-I225 HydrophobicContact CG2-CG1 4.48Å
226	L	98.9	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.9	-178.7	-58.2	89.7	0	0	0	108.9	L45 H120 A158 F160 Y206 W207 Y209 W224 R228	L45-L226 HydrophobicContact CD1-CD2 4.47Å; H120-L226 HydrophobicContact CB-CD2 3.88Å; A158-L226 HydrophobicContact CB-CG 4.12Å; F160-L226 HydrophobicContact CZ-CD2 4.22Å; Y206-L226 CarbonylContact C-O 3.59Å; Y206-L226 WeakPolarHBondContact CA-O 3.41Å; Y206-L226 WeakPolarHBondContact CB-O 3.31Å; W207-L226 HydrophobicContact CE3-CB 4.41Å; W207-L226 PolarHBondContact N-O 3.12Å; W207-L226 PolarHBondContact O-N 3.36Å; Y209-L226 HydrophobicContact CD1-CD1 3.69Å; Y209-L226 HydrophobicContact CE1-CD1 3.71Å; W224-L226 HydrophobicContact CB-CD1 4.02Å; L226-R228 PolarHBondContact O-N 3.49Å
227	F	98.8	Very high	98.3	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.9	174.6	-81.2	-56.6	0	0	0	110.6	L61 I157 A158 L159 L198 P199 R204 Y206	L61-F227 HydrophobicContact CD2-CE1 4.27Å; L61-F227 HydrophobicContact CD2-CZ 3.93Å; I157-F227 HydrophobicContact CG2-CD2 3.71Å; I157-F227 HydrophobicContact CG2-CE2 3.58Å; A158-F227 PolarHBondContact O-N 3.37Å; A158-F227 VanDerWaalsContact O-N 3.11Å; L159-F227 HydrophobicContact CD1-CB 4.34Å; L159-F227 HydrophobicContact CD1-CD2 3.97Å; L159-F227 HydrophobicContact CD2-CD2 3.72Å; L159-F227 HydrophobicContact CD2-CE2 4.44Å; L198-F227 HydrophobicContact CD2-CE2 3.83Å; L198-F227 HydrophobicContact CD2-CZ 4.48Å; P199-F227 HydrophobicContact CG-CB 3.98Å; P199-F227 HydrophobicContact CG-CD1 4.22Å; P199-F227 HydrophobicContact CG-CD2 4.01Å; P199-F227 HydrophobicContact CG-CG 3.82Å; R204-F227 HydrophobicContact CB-CD1 4.36Å; R204-F227 HydrophobicContact CB-CE1 3.71Å; R204-F227 HydrophobicContact CB-CZ 4.46Å; R204-F227 HydrophobicContact CG-CE1 3.96Å; R204-F227 HydrophobicContact CG-CZ 4.32Å; Y206-F227 HydrophobicContact CD1-CE1 4.49Å
228	R	98.3	Very high	98.5	Very high	107 Å²	107	32.7 Å²	32.7	40%	0.404	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-36.4	-179.7	178.1	-177.3	-180	179.2	6.6	112.7	D205 W207 L226	D205-R228 HydrophobicContact CB-CB 3.85Å; D205-R228 HydrophobicContact CB-CG 4.49Å; D205-R228 WeakPolarHBondContact O-CB 3.5Å; D205-R228 PolarHBondContact O-N 3.49Å; D205-R228 IonicContact OD2-CZ 3.51Å; D205-R228 IonicContact OD2-NH1 3.74Å; D205-R228 PolarHBondContact OD2-NH1 3.04Å; W207-R228 HydrophobicContact CH2-CB 4.06Å; W207-R228 HydrophobicContact CH2-CG 3.81Å; W207-R228 HydrophobicContact CZ3-CB 3.89Å; W207-R228 HydrophobicContact CZ3-CG 4.14Å; L226-R228 PolarHBondContact O-N 3.49Å
229	Y	98.3	Very high	98.5	Very high	80 Å²	80	35.9 Å²	35.9	31%	0.314	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.9	-173.1	-67.2	-89.1	0	0	0	110.5	L203 D205	L203-Y229 HydrophobicContact CB-CD1 4.29Å; L203-Y229 HydrophobicContact CB-CD2 3.8Å; L203-Y229 HydrophobicContact CB-CE2 4.18Å; L203-Y229 HydrophobicContact CB-CG 3.84Å; L203-Y229 HydrophobicContact CD1-CD1 4.4Å; L203-Y229 HydrophobicContact CD2-CD1 4.16Å; L203-Y229 HydrophobicContact CD2-CE1 3.82Å; L203-Y229 HydrophobicContact CD2-CE2 4.18Å; L203-Y229 HydrophobicContact CD2-CG 4.49Å; L203-Y229 WeakPolarHBondContact O-CD2 3.15Å; D205-Y229 HydrophobicContact CB-CD2 4.3Å; D205-Y229 HydrophobicContact CB-CE2 3.86Å
230	P	98.1	Very high	98.6	Very high	40 Å²	40	36.2 Å²	36.2	26%	0.26	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	150.9	-177.3	32	-35.8	0	0	0	111.9	F127 F160 Q162	F127-P230 HydrophobicContact CD1-CB 4.43Å; F127-P230 HydrophobicContact CE1-CB 4.1Å; F127-P230 HydrophobicContact CE1-CG 4.24Å; F160-P230 HydrophobicContact CB-CB 3.99Å; F160-P230 CarbonylContact O-C 3.58Å; F160-P230 WeakPolarHBondContact O-CA 3.39Å; F160-P230 WeakPolarHBondContact O-CB 3.41Å; Q162-P230 HydrophobicContact CG-CB 4.36Å; Q162-P230 HydrophobicContact CG-CG 4.24Å
231	L	98.3	Very high	98.6	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	163.7	162.3	-56.9	179.9	0	0	0	110.4	L131 L159 F160 V161 Q162 L197	L131-L231 HydrophobicContact CD1-CD1 3.85Å; L159-L231 HydrophobicContact CB-CD1 4.31Å; L159-L231 HydrophobicContact CD1-CD1 4.17Å; L159-L231 HydrophobicContact CD1-CD2 4.23Å; L159-L231 HydrophobicContact CD1-CG 3.98Å; L159-L231 HydrophobicContact CG-CD1 4.31Å; F160-L231 PolarHBondContact O-N 3.36Å; V161-L231 WeakPolarHBondContact CA-O 3.33Å; V161-L231 HydrophobicContact CG1-CB 4.47Å; V161-L231 HydrophobicContact CG2-CB 4.46Å; Q162-L231 PolarHBondContact N-O 2.93Å; L197-L231 HydrophobicContact CB-CD1 4.4Å; L197-L231 HydrophobicContact CD2-CD1 4.48Å; L197-L231 WeakPolarHBondContact O-CD1 3.48Å
232	T	98.4	Very high	98.7	Very high	45 Å²	45	30.1 Å²	30.1	28%	0.276	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.3	172.2	64.5	0	0	0	0	110.6	Q162 K165 H167	Q162-T232 HydrophobicContact CG-CG2 3.86Å; Q162-T232 WeakPolarHBondContact O-CA 3.21Å; K165-T232 CarbonylContact O-C 3.42Å; K165-T232 VanDerWaalsContact O-O 3.14Å; K165-T232 PolarHBondContact O-OG1 2.78Å; H167-T232 VanDerWaalsContact CB-O 3.3Å; H167-T232 WeakPolarHBondContact CB-O 3.41Å
233	I	98.8	Very high	98.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	157.2	167.7	63.9	178.5	0	0	0	109.8	M129 V161 Q162 I163 G164 K165 H167 L170 Q237 I238	M129-I233 HydrophobicContact CE-CD1 4.02Å; M129-I233 HydrophobicContact SD-CD1 3.88Å; V161-I233 HydrophobicContact CG1-CB 4.18Å; V161-I233 HydrophobicContact CG1-CD1 3.9Å; V161-I233 HydrophobicContact CG1-CG1 3.68Å; V161-I233 HydrophobicContact CG1-CG2 3.7Å; Q162-I233 PolarHBondContact O-N 3Å; I163-I233 CarbonylContact C-O 3.49Å; I163-I233 WeakPolarHBondContact CA-O 3.12Å; I163-I233 HydrophobicContact CD1-CG1 4.2Å; G164-I233 CarbonylContact C-O 3.57Å; G164-I233 PolarHBondContact N-O 3.33Å; K165-I233 CarbonylContact O-C 3.59Å; K165-I233 WeakPolarHBondContact O-CA 3.43Å; H167-I233 HydrophobicContact CB-CG2 3.8Å; L170-I233 HydrophobicContact CD1-CG2 3.79Å; I233-Q237 HydrophobicContact CB-CB 4.06Å; I233-I238 HydrophobicContact CD1-CB 3.78Å; I233-I238 HydrophobicContact CD1-CD1 4.38Å; I233-I238 HydrophobicContact CD1-CG1 4.23Å
234	S	98.8	Very high	98.6	Very high	20 Å²	20	36.6 Å²	36.6	14%	0.14	17%	0.169	C	C	.	.			trans	-74.2	161.6	174.1	71.7	0	0	0	0	111.7	G164 K165 L236 Q237 I238	G164-S234 WeakPolarHBondContact O-CA 3.3Å; K165-S234 PolarHBondContact O-N 3.42Å; S234-L236 PolarHBondContact O-N 2.97Å; S234-Q237 WeakPolarHBondContact O-CB 3.31Å; S234-Q237 PolarHBondContact O-N 2.86Å; S234-Q237 VanDerWaalsContact O-N 3.14Å; S234-Q237 WeakPolarHBondContact OG-CG 3.38Å; S234-Q237 PolarHBondContact OG-N 3.4Å; S234-I238 PolarHBondContact O-N 3.22Å
235	Q	98.7	Very high	98.6	Very high	71 Å²	71	39.3 Å²	39.3	33%	0.332	18%	0.179	S	C	.	.	H	α-helix	trans	-57.2	-40.7	171.9	-171.4	64	46.7	0	0	111	N114 I163 Q237 I238 E239	N114-Q235 PolarHBondContact ND2-OE1 2.72Å; I163-Q235 HydrophobicContact CG2-CB 4.33Å; Q235-Q237 VanDerWaalsContact C-N 3.29Å; Q235-Q237 PolarHBondContact O-N 3.17Å; Q235-I238 VanDerWaalsContact O-CG2 3.26Å; Q235-I238 WeakPolarHBondContact O-CG2 3.27Å; Q235-I238 PolarHBondContact O-N 2.84Å; Q235-E239 HydrophobicContact CG-CG 4.47Å; Q235-E239 PolarHBondContact NE2-OE1 3.36Å; Q235-E239 WeakPolarHBondContact O-CG 3.34Å; Q235-E239 PolarHBondContact O-N 3.01Å; Q235-E239 VanDerWaalsContact O-N 3.07Å
236	L	98.6	Very high	98.4	Very high	117 Å²	117	40.7 Å²	40.7	61%	0.613	19%	0.189	S	C	*	.	H	α-helix	trans	-59.1	-41.5	177.4	-179.7	62.3	0	0	0	111.8	S234 I238 E239 E240	S234-L236 PolarHBondContact O-N 2.97Å; L236-I238 PolarHBondContact O-N 3.11Å; L236-E239 PolarHBondContact O-N 3.11Å; L236-E240 PolarHBondContact O-N 2.7Å
237	Q	98.8	Very high	98.3	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-42.6	179.5	-76.7	179.6	-60	0	0	112.6	H167 T174 I233 S234 Q235 E239 E240 F241	H167-Q237 PolarHBondContact O-NE2 3.32Å; T174-Q237 HydrophobicContact CG2-CB 3.94Å; T174-Q237 HydrophobicContact CG2-CG 3.94Å; I233-Q237 HydrophobicContact CB-CB 4.06Å; S234-Q237 WeakPolarHBondContact O-CB 3.31Å; S234-Q237 PolarHBondContact O-N 2.86Å; S234-Q237 VanDerWaalsContact O-N 3.14Å; S234-Q237 WeakPolarHBondContact OG-CG 3.38Å; S234-Q237 PolarHBondContact OG-N 3.4Å; Q235-Q237 VanDerWaalsContact C-N 3.29Å; Q235-Q237 PolarHBondContact O-N 3.17Å; Q237-E239 VanDerWaalsContact C-N 3.34Å; Q237-E240 PolarHBondContact O-N 3.12Å; Q237-F241 WeakPolarHBondContact O-CD2 3.31Å
238	I	98.8	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-31.1	177.4	-159.1	165.5	0	0	0	112.2	P128 M129 I163 I233 S234 Q235 L236 E240 F241 R242	P128-I238 HydrophobicContact CB-CD1 3.67Å; M129-I238 HydrophobicContact CE-CG1 4.34Å; I163-I238 HydrophobicContact CD1-CB 4.06Å; I163-I238 HydrophobicContact CD1-CD1 3.89Å; I163-I238 HydrophobicContact CD1-CG2 3.69Å; I233-I238 HydrophobicContact CD1-CB 3.78Å; I233-I238 HydrophobicContact CD1-CD1 4.38Å; I233-I238 HydrophobicContact CD1-CG1 4.23Å; S234-I238 PolarHBondContact O-N 3.22Å; Q235-I238 VanDerWaalsContact O-CG2 3.26Å; Q235-I238 WeakPolarHBondContact O-CG2 3.27Å; Q235-I238 PolarHBondContact O-N 2.84Å; L236-I238 PolarHBondContact O-N 3.11Å; I238-E240 VanDerWaalsContact C-N 3.26Å; I238-E240 PolarHBondContact O-N 2.82Å; I238-F241 WeakPolarHBondContact O-CB 3.43Å; I238-F241 PolarHBondContact O-N 3.17Å; I238-R242 WeakPolarHBondContact O-CG 3.42Å; I238-R242 PolarHBondContact O-N 3.01Å; I238-R242 VanDerWaalsContact O-N 3.07Å
239	E	98.8	Very high	98	Very high	67 Å²	67	49.8 Å²	49.8	31%	0.313	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-30.2	175.7	-69.5	-48.6	138.3	0	0	112.7	Q235 L236 Q237 R242 R243	Q235-E239 HydrophobicContact CG-CG 4.47Å; Q235-E239 PolarHBondContact NE2-OE1 3.36Å; Q235-E239 WeakPolarHBondContact O-CG 3.34Å; Q235-E239 PolarHBondContact O-N 3.01Å; Q235-E239 VanDerWaalsContact O-N 3.07Å; L236-E239 PolarHBondContact O-N 3.11Å; Q237-E239 VanDerWaalsContact C-N 3.34Å; E239-R242 PolarHBondContact O-N 3.17Å; E239-R242 IonicContact OE1-CZ 3Å; E239-R242 IonicContact OE1-NH1 3.87Å; E239-R242 PolarHBondContact OE1-NH1 3Å; E239-R243 WeakPolarHBondContact O-CG 3.39Å; E239-R243 PolarHBondContact O-N 2.72Å
240	E	98.7	Very high	97.7	Very high	30 Å²	30	49.6 Å²	49.6	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-37.8	173.9	-64.1	-52.6	138.7	0	0	112.1	L177 L236 Q237 I238 R243	L177-E240 HydrophobicContact CB-CB 4.32Å; L177-E240 HydrophobicContact CD1-CB 3.9Å; L236-E240 PolarHBondContact O-N 2.7Å; Q237-E240 PolarHBondContact O-N 3.12Å; I238-E240 VanDerWaalsContact C-N 3.26Å; I238-E240 PolarHBondContact O-N 2.82Å; E240-R243 PolarHBondContact O-N 2.82Å; E240-R243 IonicContact OE1-NH1 2.81Å
241	F	98.8	Very high	97.5	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-41.9	172.3	-77.3	-89.7	0	0	0	111.8	V80 F108 W110 M129 T174 L177 Q237 I238 R243 L244	V80-F241 HydrophobicContact CB-CE1 4.05Å; V80-F241 HydrophobicContact CG2-CD1 3.99Å; V80-F241 HydrophobicContact CG2-CE1 3.81Å; F108-F241 HydrophobicContact CB-CE1 3.94Å; F108-F241 AromaticContact CD1-CE1 3.7Å; F108-F241 HydrophobicContact CD1-CE1 3.7Å; F108-F241 AromaticContact CD1-CZ 3.56Å; F108-F241 HydrophobicContact CD1-CZ 3.56Å; F108-F241 HydrophobicContact CD2-CE1 4.29Å; F108-F241 HydrophobicContact CE1-CE1 4.24Å; F108-F241 AromaticContact CE1-CZ 3.7Å; F108-F241 HydrophobicContact CE1-CZ 3.7Å; F108-F241 AromaticContact CG-CE1 3.73Å; F108-F241 HydrophobicContact CG-CE1 3.73Å; F108-F241 HydrophobicContact CG-CZ 4.06Å; F108-F241 HydrophobicContact CZ-CZ 4.34Å; W110-F241 HydrophobicContact CD2-CB 3.92Å; W110-F241 HydrophobicContact CD2-CD1 4.05Å; W110-F241 HydrophobicContact CD2-CG 4.35Å; W110-F241 HydrophobicContact CE3-CB 4.5Å; W110-F241 AromaticContact CE3-CD1 3.75Å; W110-F241 HydrophobicContact CE3-CD1 3.75Å; W110-F241 HydrophobicContact CE3-CE1 4.44Å; W110-F241 HydrophobicContact CE3-CG 4.46Å; W110-F241 HydrophobicContact CG-CB 4.11Å; W110-F241 HydrophobicContact CH2-CD1 4.01Å; W110-F241 HydrophobicContact CZ2-CB 4.23Å; W110-F241 HydrophobicContact CZ2-CD1 4.26Å; W110-F241 AromaticContact CZ3-CD1 3.75Å; W110-F241 HydrophobicContact CZ3-CD1 3.75Å; W110-F241 HydrophobicContact CZ3-CE1 4.32Å; M129-F241 HydrophobicContact CE-CB 4.39Å; M129-F241 HydrophobicContact CE-CD1 4.15Å; M129-F241 HydrophobicContact CE-CD2 3.59Å; M129-F241 HydrophobicContact CE-CE1 4.31Å; M129-F241 HydrophobicContact CE-CE2 3.77Å; M129-F241 HydrophobicContact CE-CG 3.79Å; M129-F241 HydrophobicContact CE-CZ 4.13Å; T174-F241 HydrophobicContact CG2-CD2 4.41Å; T174-F241 HydrophobicContact CG2-CE2 3.8Å; L177-F241 HydrophobicContact CD1-CD1 3.98Å; L177-F241 HydrophobicContact CD1-CD2 3.72Å; L177-F241 HydrophobicContact CD1-CE1 4.08Å; L177-F241 HydrophobicContact CD1-CE2 3.83Å; L177-F241 HydrophobicContact CD1-CG 3.8Å; L177-F241 HydrophobicContact CD1-CZ 4.01Å; Q237-F241 WeakPolarHBondContact O-CD2 3.31Å; I238-F241 WeakPolarHBondContact O-CB 3.43Å; I238-F241 PolarHBondContact O-N 3.17Å; F241-R243 PolarHBondContact O-N 3.03Å; F241-L244 HydrophobicContact CD1-CD1 4.33Å; F241-L244 WeakPolarHBondContact O-CB 3.27Å; F241-L244 VanDerWaalsContact O-CG 3.3Å; F241-L244 WeakPolarHBondContact O-CG 3.42Å; F241-L244 PolarHBondContact O-N 3.21Å; F241-L244 VanDerWaalsContact O-N 3.12Å
242	R	98.6	Very high	97.2	Very high	24 Å²	24	58 Å²	58	9%	0.091	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.1	179.6	-70.1	173.1	178.1	164.7	-2	114.3	G111 K112 E113 N114 I238 E239 M260	G111-R242 PolarHBondContact O-NE 2.81Å; G111-R242 PolarHBondContact O-NH2 3.49Å; K112-R242 PolarHBondContact O-NE 3.26Å; K112-R242 VanDerWaalsContact O-NE 3.16Å; E113-R242 PolarHBondContact O-NH2 3.36Å; N114-R242 PolarHBondContact OD1-NH1 3.38Å; N114-R242 VanDerWaalsContact OD1-NH1 3.11Å; N114-R242 PolarHBondContact OD1-NH2 3.29Å; I238-R242 WeakPolarHBondContact O-CG 3.42Å; I238-R242 PolarHBondContact O-N 3.01Å; I238-R242 VanDerWaalsContact O-N 3.07Å; E239-R242 PolarHBondContact O-N 3.17Å; E239-R242 IonicContact OE1-CZ 3Å; E239-R242 IonicContact OE1-NH1 3.87Å; E239-R242 PolarHBondContact OE1-NH1 3Å; R242-M260 WeakPolarHBondContact O-CE 3.3Å
243	R	98.3	Very high	96.8	Very high	142 Å²	142	59.7 Å²	59.7	54%	0.536	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.5	175.5	-72.1	170.8	-178.8	-155.8	-0.3	113.9	Q181 E239 E240 F241 R245	Q181-R243 WeakPolarHBondContact CG-O 3.45Å; Q181-R243 PolarHBondContact NE2-O 3.26Å; E239-R243 WeakPolarHBondContact O-CG 3.39Å; E239-R243 PolarHBondContact O-N 2.72Å; E240-R243 PolarHBondContact O-N 2.82Å; E240-R243 IonicContact OE1-NH1 2.81Å; F241-R243 PolarHBondContact O-N 3.03Å; R243-R245 PolarHBondContact O-NH1 3.45Å; R243-R245 VanDerWaalsContact O-NH1 3.08Å
244	L	98.6	Very high	96	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	34%	0.338	C	S	.	.			trans	-67.8	161.6	-178.1	-62.2	176.2	0	0	0	111.5	V80 W110 L177 L180 Q181 F241 L261	V80-L244 HydrophobicContact CG2-CD1 3.26Å; W110-L244 HydrophobicContact CH2-CD1 3.8Å; W110-L244 HydrophobicContact CZ2-CB 4.38Å; W110-L244 HydrophobicContact CZ2-CD1 3.83Å; L177-L244 HydrophobicContact CB-CD2 4.38Å; L177-L244 HydrophobicContact CD2-CD1 4.4Å; L180-L244 WeakPolarHBondContact O-CD2 3.13Å; Q181-L244 CarbonylContact O-C 3.45Å; F241-L244 HydrophobicContact CD1-CD1 4.33Å; F241-L244 WeakPolarHBondContact O-CB 3.27Å; F241-L244 VanDerWaalsContact O-CG 3.3Å; F241-L244 WeakPolarHBondContact O-CG 3.42Å; F241-L244 PolarHBondContact O-N 3.21Å; F241-L244 VanDerWaalsContact O-N 3.12Å; L244-L261 HydrophobicContact CB-CB 3.92Å; L244-L261 HydrophobicContact CB-CD2 4.25Å; L244-L261 PolarHBondContact O-N 3.07Å
245	R	97.8	Very high	95.2	Very high	56 Å²	56	73.8 Å²	73.8	21%	0.211	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-127.4	141.4	-178.7	-62.2	-70	-176	-98.2	15.9	109.9	N75 Q181 Y182 R243 H247 G259 M260	N75-R245 PolarHBondContact ND2-O 2.88Å; N75-R245 VanDerWaalsContact ND2-O 3.07Å; Q181-R245 HydrophobicContact CG-CG 4.24Å; Q181-R245 WeakPolarHBondContact O-CA 3.44Å; Q181-R245 WeakPolarHBondContact O-CB 3.49Å; Q181-R245 PolarHBondContact O-N 3.11Å; Y182-R245 HydrophobicContact CD1-CB 3.84Å; Y182-R245 HydrophobicContact CD1-CG 3.93Å; Y182-R245 HydrophobicContact CE1-CB 4.25Å; Y182-R245 HydrophobicContact CE1-CG 3.82Å; Y182-R245 HydrophobicContact CG-CB 4.48Å; R243-R245 PolarHBondContact O-NH1 3.45Å; R243-R245 VanDerWaalsContact O-NH1 3.08Å; R245-H247 VanDerWaalsContact C-N 3.28Å; R245-G259 WeakPolarHBondContact CA-O 3.2Å; R245-G259 WeakPolarHBondContact CB-O 3.44Å; R245-G259 WeakPolarHBondContact CD-O 3.49Å; R245-M260 VanDerWaalsContact NH1-CE 3.3Å; R245-M260 PolarHBondContact NH1-SD 2.84Å; R245-M260 PolarHBondContact NH2-SD 2.73Å
246	S	96.2	Very high	94.3	Very high	30 Å²	30	73.7 Å²	73.7	21%	0.21	39%	0.392	C	S	.	.	S	Bend	trans	-82.6	-5.1	-178.9	54	0	0	0	0	113.4	G77 K183 G259	G77-S246 WeakPolarHBondContact CA-O 3.37Å; G77-S246 VanDerWaalsContact O-CA 3.28Å; G77-S246 WeakPolarHBondContact O-CA 3.35Å; G77-S246 VanDerWaalsContact O-CB 3.24Å; G77-S246 WeakPolarHBondContact O-CB 3.49Å; K183-S246 WeakPolarHBondContact CD-O 3.4Å; S246-G259 PolarHBondContact N-O 2.73Å; S246-G259 VanDerWaalsContact N-O 3.08Å; S246-G259 PolarHBondContact OG-O 3.21Å
247	H	95.1	Very high	93.7	Very high	33 Å²	33	70.2 Å²	70.2	15%	0.153	37%	0.374	C	S	.	.	S	Bend	trans	-127.4	165.5	-173.2	61.4	83.5	0	0	0	112.1	Y182 K183 R245 A251 L253 G259	Y182-H247 WeakPolarHBondContact CB-O 3.35Å; K183-H247 VanDerWaalsContact CB-C 3.42Å; K183-H247 PolarHBondContact N-O 2.85Å; R245-H247 VanDerWaalsContact C-N 3.28Å; H247-A251 HydrophobicContact CB-CB 4.18Å; H247-L253 VanDerWaalsContact CD2-CD2 3.4Å; H247-L253 WeakPolarHBondContact CD2-CD2 3.43Å; H247-G259 VanDerWaalsContact CD2-CA 3.43Å; H247-G259 WeakPolarHBondContact CD2-CA 3.36Å; H247-G259 PolarHBondContact CD2-O 3.44Å; H247-G259 VanDerWaalsContact CD2-O 3.3Å; H247-G259 PolarHBondContact NE2-O 2.72Å
248	I	96.5	Very high	93.3	Very high	107 Å²	107	73.9 Å²	73.9	55%	0.549	39%	0.394	S	S	.	.			trans	-69.8	154.8	174.4	64.2	173.2	0	0	0	110.5	K183 G250 A251	K183-I248 HydrophobicContact CB-CG2 4.31Å; K183-I248 HydrophobicContact CG-CG2 4.45Å; I248-G250 PolarHBondContact O-N 3.08Å; I248-A251 HydrophobicContact CG1-CB 3.87Å; I248-A251 WeakPolarHBondContact O-CB 3.09Å; I248-A251 PolarHBondContact O-N 3.35Å
249	K	94.8	Very high	93	Very high	159 Å²	159	73.9 Å²	73.9	69%	0.691	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	126.5	-180	-173.5	176.5	-179.6	179.3	0	110.7	Y182	Y182-K249 HydrophobicContact CD1-CB 3.9Å; Y182-K249 HydrophobicContact CD1-CG 4.41Å; Y182-K249 HydrophobicContact CD2-CB 3.97Å; Y182-K249 HydrophobicContact CD2-CD 4.36Å; Y182-K249 HydrophobicContact CD2-CG 4.27Å; Y182-K249 HydrophobicContact CE1-CB 4.17Å; Y182-K249 HydrophobicContact CE1-CG 4.18Å; Y182-K249 HydrophobicContact CE2-CB 4.28Å; Y182-K249 HydrophobicContact CE2-CD 4.11Å; Y182-K249 HydrophobicContact CE2-CG 4.07Å; Y182-K249 HydrophobicContact CG-CB 3.79Å; Y182-K249 HydrophobicContact CG-CG 4.45Å
250	G	93.4	Very high	92.9	Very high	76 Å²	76	73.1 Å²	73.1	78%	0.784	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	5	179.4	0	0	0	0	0	114.9	I248	I248-G250 PolarHBondContact O-N 3.08Å
251	A	93.2	Very high	92.8	Very high	37 Å²	37	72 Å²	72	31%	0.306	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-61.4	143.3	169.8	0	0	0	0	0	111.2	H247 I248	H247-A251 HydrophobicContact CB-CB 4.18Å; I248-A251 HydrophobicContact CG1-CB 3.87Å; I248-A251 WeakPolarHBondContact O-CB 3.09Å; I248-A251 PolarHBondContact O-N 3.35Å
252	E	91.8	Very high	92.7	Very high	193 Å²	193	72.2 Å²	72.2	90%	0.902	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-72.6	132.5	164.8	-65	-173.8	171.6	0	0	108.8
253	L	88.9	Confident	92.7	Very high	81 Å²	81	72.8 Å²	72.8	42%	0.424	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-84.8	142.7	179.4	-58	-178.6	0	0	0	109.8	H247	H247-L253 VanDerWaalsContact CD2-CD2 3.4Å; H247-L253 WeakPolarHBondContact CD2-CD2 3.43Å
254	L	82.9	Confident	92.7	Very high	128 Å²	128	66 Å²	66	67%	0.67	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-64.9	150.3	168.8	-62.8	174.2	0	0	0	109.7	G256 N257	L254-G256 PolarHBondContact O-N 2.89Å; L254-N257 HydrophobicContact CB-CB 4.42Å; L254-N257 WeakPolarHBondContact O-CB 3.42Å; L254-N257 PolarHBondContact O-N 2.61Å; L254-N257 VanDerWaalsContact O-N 3.09Å
255	E	81.6	Confident	92.7	Very high	191 Å²	191	68.4 Å²	68.4	89%	0.893	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	133.9	175.2	-168.4	170.9	-172.2	0	0	109.9	N257	E255-N257 VanDerWaalsContact C-N 3.31Å; E255-N257 PolarHBondContact O-N 2.99Å
256	G	80.4	Confident	92.7	Very high	69 Å²	69	66.4 Å²	66.4	71%	0.711	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-10.9	-176.7	0	0	0	0	0	115.9	L254	L254-G256 PolarHBondContact O-N 2.89Å
257	N	85.4	Confident	92.8	Very high	44 Å²	44	69.5 Å²	69.5	24%	0.235	39%	0.39	C	S	.	.			trans	-94.5	125.8	178.8	-166.9	-55.5	0	0	0	111.5	E23 L254 E255 G259	E23-N257 VanDerWaalsContact OE2-CA 3.23Å; E23-N257 WeakPolarHBondContact OE2-CA 3.31Å; E23-N257 WeakPolarHBondContact OE2-CB 2.89Å; E23-N257 PolarHBondContact OE2-ND2 3.38Å; E23-N257 VanDerWaalsContact OE2-ND2 3.15Å; E23-N257 PolarHBondContact OE2-OD1 3.28Å; E23-N257 VanDerWaalsContact OE2-OD1 3.07Å; L254-N257 HydrophobicContact CB-CB 4.42Å; L254-N257 WeakPolarHBondContact O-CB 3.42Å; L254-N257 PolarHBondContact O-N 2.61Å; L254-N257 VanDerWaalsContact O-N 3.09Å; E255-N257 VanDerWaalsContact C-N 3.31Å; E255-N257 PolarHBondContact O-N 2.99Å; N257-G259 VanDerWaalsContact C-N 3.3Å; N257-G259 WeakPolarHBondContact OD1-CA 3.39Å; N257-G259 PolarHBondContact OD1-N 3.22Å
258	D	90.5	Very high	93	Very high	81 Å²	81	71.1 Å²	71.1	43%	0.433	40%	0.402	S	S	.	.			trans	-87.4	-2.3	179.7	72.2	11.5	0	0	0	113.5	K112 M260	K112-D258 VanDerWaalsContact NZ-CG 3.29Å; K112-D258 IonicContact NZ-OD1 2.75Å; K112-D258 PolarHBondContact NZ-OD1 3.21Å; K112-D258 VanDerWaalsContact NZ-OD1 3.15Å; K112-D258 IonicContact NZ-OD2 3.92Å; K112-D258 PolarHBondContact NZ-OD2 3.28Å; D258-M260 HydrophobicContact CB-CG 4.26Å; D258-M260 VanDerWaalsContact CG-CG 3.42Å; D258-M260 PolarHBondContact O-N 3.2Å; D258-M260 WeakPolarHBondContact OD1-CA 3.34Å; D258-M260 WeakPolarHBondContact OD1-CB 3.46Å; D258-M260 WeakPolarHBondContact OD1-CG 3.19Å; D258-M260 PolarHBondContact OD1-N 3.25Å
259	G	92.9	Very high	93.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	39%	0.386	C	S	.	.			trans	72.2	-4.8	-179.7	0	0	0	0	0	114.2	R245 S246 H247 N257	R245-G259 WeakPolarHBondContact CA-O 3.2Å; R245-G259 WeakPolarHBondContact CB-O 3.44Å; R245-G259 WeakPolarHBondContact CD-O 3.49Å; S246-G259 PolarHBondContact N-O 2.73Å; S246-G259 VanDerWaalsContact N-O 3.08Å; S246-G259 PolarHBondContact OG-O 3.21Å; H247-G259 VanDerWaalsContact CD2-CA 3.43Å; H247-G259 WeakPolarHBondContact CD2-CA 3.36Å; H247-G259 PolarHBondContact CD2-O 3.44Å; H247-G259 VanDerWaalsContact CD2-O 3.3Å; H247-G259 PolarHBondContact NE2-O 2.72Å; N257-G259 VanDerWaalsContact C-N 3.3Å; N257-G259 WeakPolarHBondContact OD1-CA 3.39Å; N257-G259 PolarHBondContact OD1-N 3.22Å
260	M	96.4	Very high	93.2	Very high	52 Å²	52	64.9 Å²	64.9	26%	0.256	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-74.7	134.7	-177.1	-53.3	-77.3	-52.2	0	0	109.6	R242 R245 D258 G262	R242-M260 WeakPolarHBondContact O-CE 3.3Å; R245-M260 VanDerWaalsContact NH1-CE 3.3Å; R245-M260 PolarHBondContact NH1-SD 2.84Å; R245-M260 PolarHBondContact NH2-SD 2.73Å; D258-M260 HydrophobicContact CB-CG 4.26Å; D258-M260 VanDerWaalsContact CG-CG 3.42Å; D258-M260 PolarHBondContact O-N 3.2Å; D258-M260 WeakPolarHBondContact OD1-CA 3.34Å; D258-M260 WeakPolarHBondContact OD1-CB 3.46Å; D258-M260 WeakPolarHBondContact OD1-CG 3.19Å; D258-M260 PolarHBondContact OD1-N 3.25Å; M260-G262 PolarHBondContact O-N 3.21Å
261	L	97.6	Very high	93.5	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	36%	0.358	C	S	.	.			trans	-86.7	105.5	166.6	-176.1	58.4	0	0	0	109.1	G77 W110 L244 N264	G77-L261 WeakPolarHBondContact O-CD1 3.4Å; W110-L261 HydrophobicContact CH2-CD2 3.66Å; W110-L261 HydrophobicContact CH2-CG 3.77Å; W110-L261 HydrophobicContact CZ2-CB 4.21Å; W110-L261 HydrophobicContact CZ2-CD2 3.93Å; W110-L261 HydrophobicContact CZ2-CG 3.59Å; W110-L261 VanDerWaalsContact CZ2-O 3.3Å; W110-L261 WeakPolarHBondContact CZ2-O 3.47Å; W110-L261 PolarHBondContact NE1-O 3.21Å; L244-L261 HydrophobicContact CB-CB 3.92Å; L244-L261 HydrophobicContact CB-CD2 4.25Å; L244-L261 PolarHBondContact O-N 3.07Å; L261-N264 HydrophobicContact CD1-CB 4Å
262	G	96.4	Very high	93.7	Very high	7 Å²	7	64.9 Å²	64.9	7%	0.072	36%	0.362	C	S	.	.			trans	179.1	165.6	178	0	0	0	0	0	110.5	M260 N264	M260-G262 PolarHBondContact O-N 3.21Å; G262-N264 PolarHBondContact O-N 3.03Å
263	D	98	Very high	93.9	Very high	36 Å²	36	61 Å²	61	19%	0.193	35%	0.348	C	S	.	.	S	Bend	trans	53.4	33.7	-161.7	-63.5	-31	0	0	0	111.5	W110 G111 K112 R116 F265	W110-D263 WeakPolarHBondContact O-CA 3.18Å; W110-D263 PolarHBondContact O-N 2.92Å; G111-D263 WeakPolarHBondContact CA-OD1 3.47Å; K112-D263 HydrophobicContact CG-CB 4.42Å; K112-D263 WeakPolarHBondContact CG-OD2 3.27Å; K112-D263 PolarHBondContact N-OD1 2.79Å; R116-D263 IonicContact CZ-OD1 3.58Å; R116-D263 IonicContact CZ-OD2 3.38Å; R116-D263 VanDerWaalsContact NE-CG 3.28Å; R116-D263 IonicContact NE-OD1 3.13Å; R116-D263 PolarHBondContact NE-OD1 2.85Å; R116-D263 IonicContact NE-OD2 2.81Å; R116-D263 PolarHBondContact NE-OD2 3.06Å; R116-D263 VanDerWaalsContact NE-OD2 3.13Å; R116-D263 IonicContact NH2-OD1 3.55Å; R116-D263 IonicContact NH2-OD2 2.76Å; R116-D263 PolarHBondContact NH2-OD2 3.29Å; D263-F265 VanDerWaalsContact CA-CE1 3.46Å; D263-F265 HydrophobicContact CB-CE1 3.82Å; D263-F265 HydrophobicContact CB-CZ 4.16Å; D263-F265 PolarHBondContact O-N 2.85Å
264	N	98.3	Very high	94.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.332	C	S	.	.			trans	-84.5	48.8	-173	69	-43	0	0	0	111.7	Y22 H78 F108 H109 W110 L261 G262	Y22-N264 HydrophobicContact CD2-CB 3.7Å; Y22-N264 VanDerWaalsContact CE1-C 3.43Å; Y22-N264 WeakPolarHBondContact CE1-O 3.26Å; Y22-N264 HydrophobicContact CE2-CB 3.64Å; Y22-N264 HydrophobicContact CG-CB 4.29Å; Y22-N264 VanDerWaalsContact CZ-O 3.28Å; Y22-N264 PolarHBondContact OH-O 3.4Å; H78-N264 PolarHBondContact O-ND2 2.99Å; F108-N264 PolarHBondContact O-ND2 3.08Å; H109-N264 PolarHBondContact ND1-O 2.94Å; W110-N264 WeakPolarHBondContact CZ3-ND2 3.43Å; W110-N264 PolarHBondContact N-OD1 2.94Å; W110-N264 PolarHBondContact O-N 2.89Å; W110-N264 PolarHBondContact O-OD1 2.83Å; L261-N264 HydrophobicContact CD1-CB 4Å; G262-N264 PolarHBondContact O-N 3.03Å
265	F	98.2	Very high	95.1	Very high	51 Å²	51	56.9 Å²	56.9	22%	0.224	32%	0.324	C	S	.	.			trans	-124	138.7	-178.9	51.7	-98.2	0	0	0	110.7	H109 R116 G117 E119 D263	H109-F265 HydrophobicContact CB-CB 4.47Å; R116-F265 HydrophobicContact CB-CE1 4.42Å; R116-F265 HydrophobicContact CB-CZ 4.21Å; R116-F265 HydrophobicContact CG-CE1 4.25Å; R116-F265 HydrophobicContact CG-CZ 4.19Å; G117-F265 VanDerWaalsContact CA-CD1 3.48Å; G117-F265 WeakPolarHBondContact O-CD1 3.48Å; E119-F265 HydrophobicContact CB-CB 4.47Å; E119-F265 HydrophobicContact CG-CB 3.73Å; D263-F265 VanDerWaalsContact CA-CE1 3.46Å; D263-F265 HydrophobicContact CB-CE1 3.82Å; D263-F265 HydrophobicContact CB-CZ 4.16Å; D263-F265 PolarHBondContact O-N 2.85Å
266	R	98.2	Very high	95.9	Very high	15 Å²	15	48.3 Å²	48.3	6%	0.057	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-71.9	141.6	173	-169	-168.9	-169.8	-179.1	2.2	109.5	W28 A35 Q40 S41 P42 E119	W28-R266 HydrophobicContact CE3-CG 4.44Å; W28-R266 HydrophobicContact CH2-CB 4Å; W28-R266 HydrophobicContact CH2-CG 3.95Å; W28-R266 HydrophobicContact CZ3-CB 4.04Å; W28-R266 HydrophobicContact CZ3-CG 3.6Å; A35-R266 PolarHBondContact O-NH2 2.91Å; Q40-R266 VanDerWaalsContact OE1-NH2 3.09Å; S41-R266 VanDerWaalsContact O-CD 3.31Å; S41-R266 WeakPolarHBondContact O-CD 3.2Å; S41-R266 PolarHBondContact O-NH1 3.06Å; P42-R266 WeakPolarHBondContact CG-O 3.47Å; E119-R266 WeakPolarHBondContact OE1-CB 3.43Å; E119-R266 PolarHBondContact OE1-N 2.84Å
267	P	98.1	Very high	96.8	Very high	94 Å²	94	48.4 Å²	48.4	61%	0.61	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-55.8	149	169.8	-25.8	34.7	0	0	0	112.5	Q269	P267-Q269 PolarHBondContact O-NE2 3.47Å
268	T	98.6	Very high	97.4	Very high	67 Å²	67	46.5 Å²	46.5	41%	0.411	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-61	138.7	173.5	55.1	0	0	0	0	111.7	P42 T121	P42-T268 CarbonylContact O-C 3.59Å; P42-T268 WeakPolarHBondContact O-CA 3.26Å; T121-T268 HydrophobicContact CG2-CG2 4.4Å
269	Q	98.6	Very high	97.8	Very high	46 Å²	46	43.1 Å²	43.1	22%	0.215	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-100.5	160.1	-176.1	-56.2	-62.8	-59	0	0	110.9	Q40 P42 P267 L271	Q40-Q269 HydrophobicContact CB-CB 3.87Å; Q40-Q269 HydrophobicContact CB-CG 3.71Å; P42-Q269 WeakPolarHBondContact O-CB 3.47Å; P42-Q269 PolarHBondContact O-N 3.19Å; P267-Q269 PolarHBondContact O-NE2 3.47Å; Q269-L271 PolarHBondContact O-N 3.07Å
270	P	98.4	Very high	98	Very high	90 Å²	90	44.5 Å²	44.5	58%	0.584	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-56.4	136.8	175.2	-24.6	35	0	0	0	111.8	S272 R274	P270-S272 PolarHBondContact O-N 3.45Å; P270-R274 PolarHBondContact O-NH2 2.82Å
271	L	98.1	Very high	97.7	Very high	55 Å²	55	52.1 Å²	52.1	29%	0.288	28%	0.278	S	S	.	.			trans	-65.3	-27.4	173.9	-176.3	61.3	0	0	0	111.9	I43 Q269 R274 I276	I43-L271 HydrophobicContact CD1-CD1 3.76Å; Q269-L271 PolarHBondContact O-N 3.07Å; L271-R274 HydrophobicContact CD1-CB 4.04Å; L271-R274 HydrophobicContact CG-CB 4.5Å; L271-R274 WeakPolarHBondContact O-CB 3.31Å; L271-R274 PolarHBondContact O-N 3.1Å; L271-R274 PolarHBondContact O-NE 2.95Å; L271-I276 HydrophobicContact CD1-CD1 4.17Å; L271-I276 HydrophobicContact CD1-CG1 4.1Å
272	S	97.6	Very high	97.7	Very high	58 Å²	58	54.5 Å²	54.5	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-134.4	-173.2	-51.7	0	0	0	0	110	E38 P270	E38-S272 PolarHBondContact O-OG 3.03Å; P270-S272 PolarHBondContact O-N 3.45Å
273	D	97.6	Very high	97.8	Very high	112 Å²	112	57 Å²	57	60%	0.599	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	10.1	178.2	66.1	-7.8	0	0	0	113.7	Y39	Y39-D273 WeakPolarHBondContact CE1-OD1 3.46Å; Y39-D273 PolarHBondContact OH-OD1 3.46Å
274	R	98.2	Very high	97.8	Very high	25 Å²	25	58.2 Å²	58.2	9%	0.094	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-70.6	144	-175.2	-65.9	176.5	-75.3	179.8	-3.5	112.4	Y39 Q40 E210 P270 L271	Y39-R274 VanDerWaalsContact C-NH1 3.29Å; Y39-R274 HydrophobicContact CD1-CG 3.6Å; Y39-R274 HydrophobicContact CE1-CG 4Å; Y39-R274 HydrophobicContact CG-CG 4.46Å; Y39-R274 PolarHBondContact O-NH1 3.15Å; Q40-R274 PolarHBondContact O-NH1 3.33Å; Q40-R274 PolarHBondContact O-NH2 2.9Å; E210-R274 WeakPolarHBondContact O-CD 3.37Å; E210-R274 PolarHBondContact O-NH1 2.99Å; E210-R274 VanDerWaalsContact O-NH1 3.15Å; P270-R274 PolarHBondContact O-NH2 2.82Å; L271-R274 HydrophobicContact CD1-CB 4.04Å; L271-R274 HydrophobicContact CG-CB 4.5Å; L271-R274 WeakPolarHBondContact O-CB 3.31Å; L271-R274 PolarHBondContact O-N 3.1Å; L271-R274 PolarHBondContact O-NE 2.95Å
275	I	98.2	Very high	97.8	Very high	97 Å²	97	61.6 Å²	61.6	50%	0.497	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-99.9	128	173.9	-61.4	170.9	0	0	0	109.2	Q51 R277	Q51-I275 HydrophobicContact CB-CG2 4.3Å; Q51-I275 HydrophobicContact CG-CG2 4.03Å; I275-R277 HydrophobicContact CG2-CG 4.18Å
276	I	98.8	Very high	97.7	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.051	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-88.1	125	167.4	-54.1	176.8	0	0	0	107.4	I43 L45 A50 Q51 W207 L271	I43-I276 HydrophobicContact CD1-CD1 3.61Å; I43-I276 HydrophobicContact CD1-CG1 4.05Å; L45-I276 HydrophobicContact CB-CD1 4.38Å; L45-I276 HydrophobicContact CD1-CD1 4.47Å; L45-I276 HydrophobicContact CD1-CG2 3.94Å; L45-I276 HydrophobicContact CG-CD1 3.94Å; L45-I276 HydrophobicContact CG-CG2 4.19Å; A50-I276 WeakPolarHBondContact CA-O 3.47Å; A50-I276 HydrophobicContact CB-CG2 4.14Å; Q51-I276 PolarHBondContact N-O 3.08Å; W207-I276 HydrophobicContact CB-CG2 4.03Å; W207-I276 HydrophobicContact CG-CG2 4.33Å; L271-I276 HydrophobicContact CD1-CD1 4.17Å; L271-I276 HydrophobicContact CD1-CG1 4.1Å
277	R	98.8	Very high	97.7	Very high	72 Å²	72	65.4 Å²	65.4	27%	0.272	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	151.9	175.2	-58.6	179.1	-69	149.9	-2.3	110.5	Q51 D53 L56 W207 V208 I275	Q51-R277 CarbonylContact O-C 3.5Å; Q51-R277 WeakPolarHBondContact O-CA 3.3Å; D53-R277 HydrophobicContact CB-CB 4.13Å; D53-R277 HydrophobicContact CB-CG 4.38Å; D53-R277 VanDerWaalsContact OD2-CD 3.31Å; D53-R277 WeakPolarHBondContact OD2-CD 3.2Å; D53-R277 IonicContact OD2-CZ 3.04Å; D53-R277 IonicContact OD2-NE 3.94Å; D53-R277 IonicContact OD2-NH1 3.91Å; D53-R277 PolarHBondContact OD2-NH1 3.49Å; L56-R277 HydrophobicContact CD1-CB 4.13Å; W207-R277 CarbonylContact C-O 3.45Å; W207-R277 VanDerWaalsContact CA-O 3.23Å; W207-R277 WeakPolarHBondContact CA-O 3.08Å; V208-R277 HydrophobicContact CG1-CB 3.77Å; V208-R277 PolarHBondContact N-O 3.37Å; V208-R277 PolarHBondContact O-N 3.47Å; I275-R277 HydrophobicContact CG2-CG 4.18Å
278	A	98.7	Very high	97.7	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.033	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.7	177.1	0	0	0	0	0	110.6	A50 Q51 Y52 D53 F280	A50-A278 HydrophobicContact CB-CB 4.18Å; Q51-A278 PolarHBondContact O-N 3.27Å; Y52-A278 WeakPolarHBondContact CA-O 3.5Å; Y52-A278 WeakPolarHBondContact CD2-O 3.49Å; D53-A278 PolarHBondContact N-O 3.08Å; A278-F280 HydrophobicContact CB-CD1 4.18Å; A278-F280 HydrophobicContact CB-CE1 4.04Å; A278-F280 HydrophobicContact CB-CZ 4.39Å; A278-F280 PolarHBondContact O-N 2.9Å
279	A	98.1	Very high	97.6	Very high	9 Å²	9	63.1 Å²	63.1	7%	0.074	33%	0.326	C	S	.	.	S	Bend	trans	-85.6	15.8	173.7	0	0	0	0	0	113	L56 L57 Y206	L56-A279 HydrophobicContact CB-CB 4.03Å; L56-A279 HydrophobicContact CD1-CB 4.05Å; L57-A279 HydrophobicContact CD2-CB 4.22Å; Y206-A279 HydrophobicContact CD1-CB 3.81Å; Y206-A279 HydrophobicContact CD2-CB 4.22Å; Y206-A279 HydrophobicContact CE1-CB 3.42Å; Y206-A279 VanDerWaalsContact CE1-CB 3.42Å; Y206-A279 HydrophobicContact CE2-CB 3.88Å; Y206-A279 HydrophobicContact CG-CB 4.19Å; Y206-A279 VanDerWaalsContact CZ-CB 3.47Å; Y206-A279 PolarHBondContact O-N 3.14Å
280	F	97.3	Very high	97.5	Very high	30 Å²	30	64.5 Å²	64.5	13%	0.132	34%	0.335	C	S	.	.			trans	-149.6	160.1	-177.6	64.6	-85.7	0	0	0	110.2	Y52 D205 W207 A278	Y52-F280 WeakPolarHBondContact CD2-O 3.32Å; D205-F280 HydrophobicContact CB-CB 4.43Å; D205-F280 HydrophobicContact CB-CD1 3.61Å; D205-F280 HydrophobicContact CB-CE1 4Å; D205-F280 HydrophobicContact CB-CG 4.01Å; W207-F280 HydrophobicContact CD2-CE1 4.24Å; W207-F280 HydrophobicContact CD2-CZ 4.3Å; W207-F280 AromaticContact CE2-CE1 3.87Å; W207-F280 AromaticContact CE2-CZ 3.49Å; W207-F280 VanDerWaalsContact CE2-CZ 3.49Å; W207-F280 HydrophobicContact CG-CE1 4.45Å; W207-F280 HydrophobicContact CH2-CZ 4.43Å; W207-F280 HydrophobicContact CZ2-CE1 4.3Å; W207-F280 AromaticContact CZ2-CZ 3.58Å; W207-F280 HydrophobicContact CZ2-CZ 3.58Å; W207-F280 AromaticContact NE1-CE1 3.79Å; W207-F280 AromaticContact NE1-CZ 3.46Å; A278-F280 HydrophobicContact CB-CD1 4.18Å; A278-F280 HydrophobicContact CB-CE1 4.04Å; A278-F280 HydrophobicContact CB-CZ 4.39Å; A278-F280 PolarHBondContact O-N 2.9Å
281	Q	90.9	Very high	97.5	Very high	212 Å²	212	62.2 Å²	62.2	99%	0.991	31%	0.312	S	S	*	.			trans	-92.6	0	177.7	-68.6	-175	-10.7	0	0	112.5	Y52	Y52-Q281 HydrophobicContact CD1-CG 3.64Å; Y52-Q281 HydrophobicContact CD2-CG 3.97Å; Y52-Q281 HydrophobicContact CE1-CG 3.73Å; Y52-Q281 VanDerWaalsContact CE1-NE2 3.27Å; Y52-Q281 HydrophobicContact CE2-CG 4.05Å; Y52-Q281 HydrophobicContact CG-CG 3.75Å

Retrieved 281 of 281 residues in 130.6 ms (Link to these results)

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