A0A060VG62_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VG62, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	40.9	Very low	246 Å²	246	157.3 Å²	157.3	100%	1.212	80%	0.799	S	S	*	*				0	101.2	0	-77.7	162.9	151.2	0	0	108.3
2	R	32.6	Very low	40.9	Very low	252 Å²	252	156.1 Å²	156.1	95%	0.951	80%	0.795	S	S	*	*			trans	-89.8	114.4	171.8	-93.9	179.2	172.9	165	-2.5	106.8	M4	R2-M4 PolarHBondContact O-N 3.4Å
3	V	34.8	Very low	40.7	Very low	143 Å²	143	153.1 Å²	153.1	87%	0.867	78%	0.781	S	S	*	*			trans	-72	113.5	173.8	178	0	0	0	0	107.2	A5	V3-A5 PolarHBondContact O-N 2.93Å
4	M	37.7	Very low	40.8	Very low	184 Å²	184	146.6 Å²	146.6	91%	0.906	76%	0.756	S	S	*	*			trans	-84.7	104.1	177	-159.1	165.3	67	0	0	107	R2	R2-M4 PolarHBondContact O-N 3.4Å
5	A	39.3	Very low	40.5	Very low	77 Å²	77	139.7 Å²	139.7	64%	0.636	74%	0.736	S	S	*	*			trans	-65.6	143.7	174.5	0	0	0	0	0	110	V3 R7	V3-A5 PolarHBondContact O-N 2.93Å; A5-R7 PolarHBondContact O-N 3.36Å
6	P	41.2	Very low	40.2	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	72%	0.719	S	S	*	*			trans	-72.8	118.4	-174.4	9.5	1.9	0	0	0	110.4	T8	P6-T8 PolarHBondContact O-N 2.9Å; P6-T8 VanDerWaalsContact O-N 3.12Å
7	R	49	Very low	40	Very low	226 Å²	226	134.4 Å²	134.4	85%	0.853	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	6	172.9	-95.3	179.3	165	146.8	-5.1	114.3	A5	A5-R7 PolarHBondContact O-N 3.36Å
8	T	49.2	Very low	39.9	Very low	108 Å²	108	131.4 Å²	131.4	66%	0.663	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-7.8	-174	29.2	0	0	0	0	114.9	P6	P6-T8 PolarHBondContact O-N 2.9Å; P6-T8 VanDerWaalsContact O-N 3.12Å
9	L	42.3	Very low	39.7	Very low	129 Å²	129	131.5 Å²	131.5	68%	0.675	71%	0.714	S	S	*	*	S	Bend	trans	-92.2	-12.9	179.3	-120.1	105.7	0	0	0	115
10	I	44.5	Very low	39.6	Very low	128 Å²	128	129.4 Å²	129.4	66%	0.656	71%	0.706	S	S	*	*	S	Bend	trans	-82.6	-23.3	-175.6	-68	168	0	0	0	112.1	S14	I10-S14 PolarHBondContact O-OG 2.88Å
11	L	44.5	Very low	39.6	Very low	135 Å²	135	131.6 Å²	131.6	71%	0.707	71%	0.711	S	S	*	*	H	α-helix	trans	-80	-24.3	-179.1	-80.1	160.8	0	0	0	114.1	L13 S14	L11-L13 VanDerWaalsContact C-N 3.34Å; L11-S14 PolarHBondContact O-N 3.37Å
12	L	41.2	Very low	39.9	Very low	143 Å²	143	125.2 Å²	125.2	75%	0.749	69%	0.686	S	S	*	*	H	α-helix	trans	-76.6	-22.8	177.4	-74.6	166.4	0	0	0	112.7
13	L	37.3	Very low	40.8	Very low	117 Å²	117	119.4 Å²	119.4	61%	0.613	66%	0.664	S	S	*	*	H	α-helix	trans	-83.4	-19.7	174.2	-77.4	158.3	0	0	0	112.6	L11 L17	L11-L13 VanDerWaalsContact C-N 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.36Å
14	S	42.4	Very low	41.7	Very low	62 Å²	62	114.7 Å²	114.7	43%	0.434	64%	0.641	S	S	.	*	H	α-helix	trans	-76.8	-30.9	177.4	-23.7	0	0	0	0	112.5	I10 L11	I10-S14 PolarHBondContact O-OG 2.88Å; L11-S14 PolarHBondContact O-N 3.37Å
15	G	37.1	Very low	43.4	Very low	44 Å²	44	108.8 Å²	108.8	45%	0.454	62%	0.617	S	S	.	*	H	α-helix	trans	-74.9	-30.8	176.3	0	0	0	0	0	113.6
16	A	35.9	Very low	45.8	Very low	57 Å²	57	108.6 Å²	108.6	47%	0.471	61%	0.611	S	S	.	*	H	α-helix	trans	-76.8	-29.8	176.2	0	0	0	0	0	112.8	A18 L19	A16-A18 VanDerWaalsContact C-N 3.29Å; A16-A18 PolarHBondContact O-N 2.86Å; A16-L19 PolarHBondContact O-N 3.28Å
17	L	36	Very low	48.4	Very low	131 Å²	131	105.2 Å²	105.2	69%	0.686	59%	0.586	S	S	*	*	H	α-helix	trans	-73.2	-18.8	176.3	-78.9	164	0	0	0	113.4	L13 L19	L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.35Å
18	A	38	Very low	50.7	Low	81 Å²	81	95.7 Å²	95.7	67%	0.669	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-13.4	173.8	0	0	0	0	0	113.4	A16	A16-A18 VanDerWaalsContact C-N 3.29Å; A16-A18 PolarHBondContact O-N 2.86Å
19	L	36.8	Very low	53.1	Low	134 Å²	134	90.6 Å²	90.6	70%	0.702	52%	0.522	S	S	*	.	S	Bend	trans	-101.6	4.4	-177.8	-88.4	154.3	0	0	0	113.4	A16 L17	A16-L19 PolarHBondContact O-N 3.28Å; L17-L19 VanDerWaalsContact C-N 3.35Å
20	T	36.3	Very low	55.8	Low	89 Å²	89	87 Å²	87	55%	0.546	50%	0.5	S	S	.	.			trans	-127.1	53.2	171.9	63.5	0	0	0	0	109.5	T22	T20-T22 PolarHBondContact O-N 3.3Å
21	E	40.1	Very low	58.3	Low	176 Å²	176	81.2 Å²	81.2	82%	0.822	47%	0.47	S	S	*	.			trans	-61.4	92.5	139.8	-101.4	-177.2	168.7	0	0	104.6	W23	E21-W23 PolarHBondContact O-N 3.47Å
22	T	40.9	Very low	60.9	Low	112 Å²	112	78.9 Å²	78.9	69%	0.687	45%	0.454	S	S	*	.			trans	-47	117.4	163.9	45.5	0	0	0	0	105.3	T20 A24	T20-T22 PolarHBondContact O-N 3.3Å; T22-A24 WeakPolarHBondContact O-CB 3.39Å; T22-A24 PolarHBondContact O-N 3.38Å
23	W	52.9	Low	63.7	Low	129 Å²	129	72.4 Å²	72.4	49%	0.489	42%	0.42	S	S	.	.			trans	-59.2	75.3	167.3	-72.2	82.2	0	0	0	107.4	E21 C25 E288	E21-W23 PolarHBondContact O-N 3.47Å; W23-C25 PolarHBondContact O-N 2.92Å; W23-E288 HydrophobicContact CB-CG 4.42Å; W23-E288 HydrophobicContact CD2-CB 4.04Å; W23-E288 HydrophobicContact CD2-CG 4.12Å; W23-E288 HydrophobicContact CE3-CB 3.21Å; W23-E288 HydrophobicContact CE3-CG 3.44Å; W23-E288 VanDerWaalsContact CE3-CG 3.44Å; W23-E288 HydrophobicContact CH2-CB 4.15Å; W23-E288 HydrophobicContact CZ3-CB 3.29Å; W23-E288 HydrophobicContact CZ3-CG 4.06Å
24	A	53.6	Low	66.6	Low	45 Å²	45	68.7 Å²	68.7	37%	0.372	40%	0.402	S	S	.	.			trans	-91.1	96.6	-175.7	0	0	0	0	0	102.7	T22 S26 P129	T22-A24 WeakPolarHBondContact O-CB 3.39Å; T22-A24 PolarHBondContact O-N 3.38Å; A24-S26 PolarHBondContact O-N 3.33Å; A24-P129 HydrophobicContact CB-CB 4.23Å; A24-P129 HydrophobicContact CB-CG 3.29Å
25	C	72.6	Confident	69.3	Low	60 Å²	60	65.9 Å²	65.9	41%	0.405	38%	0.382	S	S	.	.			trans	-47.9	100.6	-173.5	-56.1	0	0	0	0	110	W23 E288	W23-C25 PolarHBondContact O-N 2.92Å; C25-E288 PolarHBondContact SG-OE1 2.86Å
26	S	90.6	Very high	72.2	Confident	73 Å²	73	66.2 Å²	66.2	51%	0.51	38%	0.376	S	S	.	.			trans	-93.9	143.3	169.7	59.2	0	0	0	0	107.9	A24 L127	A24-S26 PolarHBondContact O-N 3.33Å; S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.41Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å
27	H	95.2	Very high	75.2	Confident	31 Å²	31	64.4 Å²	64.4	14%	0.144	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.4	178.3	-67.3	-75.6	0	0	0	110.4	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 2.73Å; H27-D53 IonicContact ND1-OD1 3.42Å; H27-D53 IonicContact ND1-OD2 3.48Å; H27-D53 PolarHBondContact ND1-OD2 3.39Å; H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; H27-L127 PolarHBondContact N-O 2.98Å; H27-L127 VanDerWaalsContact N-O 3.13Å; H27-L127 PolarHBondContact O-N 3.31Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.3Å
28	S	97.4	Very high	78	Confident	26 Å²	26	61.6 Å²	61.6	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.9	178.6	66.9	0	0	0	0	111.5	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.47Å; S28-D53 PolarHBondContact N-OD1 3.5Å; S28-D53 PolarHBondContact O-N 2.93Å; S28-C125 WeakPolarHBondContact CA-O 3.43Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å
29	M	98.6	Very high	80.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.2	167.2	-175.7	171.8	61.7	0	0	108.1	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 4.08Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.35Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.37Å; M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; M29-C125 PolarHBondContact N-O 3.33Å; M29-C125 PolarHBondContact O-N 3.15Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.45Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.4Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.31Å; M29-L192 HydrophobicContact SD-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	83.3	Confident	54 Å²	54	58.3 Å²	58.3	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135	-176.4	-57.5	-63	-177	76.8	5.8	110.7	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.85Å; R30-F32 HydrophobicContact CG-CZ 4.5Å; R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; R30-Y51 PolarHBondContact N-O 3.09Å; R30-Y51 PolarHBondContact O-N 3.4Å; R30-D126 IonicContact CZ-OD1 3.37Å; R30-D126 IonicContact NE-OD1 3.02Å; R30-D126 PolarHBondContact NE-OD1 3.44Å; R30-D126 VanDerWaalsContact NE-OD1 3.13Å; R30-D126 VanDerWaalsContact NH2-CG 3.33Å; R30-D126 IonicContact NH2-OD1 2.8Å; R30-D126 PolarHBondContact NH2-OD1 2.88Å; R30-D126 IonicContact NH2-OD2 3.56Å; R30-D126 PolarHBondContact NH2-OD2 3.27Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; R30-H137 PolarHBondContact NH2-NE2 3.38Å
31	Y	98.8	Very high	86.1	Confident	7 Å²	7	63.9 Å²	63.9	3%	0.027	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.6	168.7	-68.7	-91.6	0	0	0	109.2	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 4.08Å; Y31-Y33 HydrophobicContact CD1-CE1 4.22Å; Y31-Y33 HydrophobicContact CG-CE1 4.49Å; Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.5Å; Y31-F57 AromaticContact CE1-CZ 3.97Å; Y31-F57 HydrophobicContact CE1-CZ 3.97Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; Y31-V58 HydrophobicContact CE1-CG1 4Å; Y31-M122 WeakPolarHBondContact O-CA 3.5Å; Y31-Y123 HydrophobicContact CD2-CD2 4.22Å; Y31-Y123 AromaticContact CD2-CE2 3.45Å; Y31-Y123 HydrophobicContact CD2-CE2 3.45Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.45Å; Y31-Y123 AromaticContact CD2-CZ 3.77Å; Y31-Y123 HydrophobicContact CE2-CE2 4.2Å; Y31-Y123 HydrophobicContact CG-CE1 4.42Å; Y31-Y123 AromaticContact CG-CE2 3.91Å; Y31-Y123 HydrophobicContact CG-CE2 3.91Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 2.85Å; Y31-Y123 PolarHBondContact O-N 3.38Å
32	F	98.9	Very high	88.6	Confident	86 Å²	86	58.2 Å²	58.2	38%	0.377	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.6	177.6	-56.7	-94.9	0	0	0	109.1	R30 A48 V49 Y51 M122	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.85Å; R30-F32 HydrophobicContact CG-CZ 4.5Å; F32-A48 WeakPolarHBondContact O-CA 3.48Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.22Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; F32-M122 HydrophobicContact CD1-CB 4.06Å; F32-M122 HydrophobicContact CD1-CG 3.55Å; F32-M122 HydrophobicContact CE1-CB 4.29Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CG-CG 4.38Å; F32-M122 HydrophobicContact CZ-CG 4.09Å
33	Y	98.8	Very high	91.1	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.027	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.1	177.8	-62	-8.1	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 W121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.22Å; Y31-Y33 HydrophobicContact CG-CE1 4.49Å; Y33-F46 HydrophobicContact CD1-CZ 4.25Å; Y33-F46 HydrophobicContact CD2-CE2 4.14Å; Y33-F46 AromaticContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CE2-CZ 4.36Å; Y33-F46 HydrophobicContact CG-CE2 4.08Å; Y33-F46 AromaticContact CG-CZ 3.81Å; Y33-F46 HydrophobicContact CG-CZ 3.81Å; Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.21Å; Y33-A48 HydrophobicContact CD1-CB 3.24Å; Y33-A48 HydrophobicContact CE1-CB 3.33Å; Y33-A48 HydrophobicContact CG-CB 4.16Å; Y33-Y91 HydrophobicContact CE1-CD1 4.2Å; Y33-Y91 AromaticContact CE1-CE1 3.83Å; Y33-Y91 HydrophobicContact CE1-CE1 3.83Å; Y33-Y91 AromaticContact CZ-CE1 3.86Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.47Å; Y33-Q94 HydrophobicContact CD2-CG 3.67Å; Y33-Q94 HydrophobicContact CE2-CB 4.41Å; Y33-Q94 HydrophobicContact CE2-CG 3.84Å; Y33-Q120 WeakPolarHBondContact O-CA 3.35Å; Y33-W121 HydrophobicContact CD2-CD2 4.48Å; Y33-W121 AromaticContact CD2-CE3 3.52Å; Y33-W121 HydrophobicContact CD2-CE3 3.52Å; Y33-W121 AromaticContact CD2-CZ3 3.85Å; Y33-W121 HydrophobicContact CD2-CZ3 3.85Å; Y33-W121 HydrophobicContact CE2-CE3 4.02Å; Y33-W121 AromaticContact CE2-CZ3 3.86Å; Y33-W121 HydrophobicContact CE2-CZ3 3.86Å; Y33-W121 PolarHBondContact N-O 3.47Å; Y33-W121 PolarHBondContact O-N 3.44Å; Y33-Y123 HydrophobicContact CD2-CE1 4.2Å; Y33-Y123 HydrophobicContact CE1-CE1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.59Å; Y33-Y123 HydrophobicContact CE2-CE1 3.59Å; Y33-Y123 AromaticContact CZ-CE1 3.71Å; Y33-Y123 AromaticContact CZ-CZ 3.98Å; Y33-Y123 PolarHBondContact OH-OH 2.87Å
34	T	98.9	Very high	93.2	Very high	39 Å²	39	52.6 Å²	52.6	24%	0.239	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.4	178.3	-57.8	0	0	0	0	109.3	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.98Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 3.19Å; T34-T118 HydrophobicContact CG2-CG2 4.05Å; T34-L119 WeakPolarHBondContact CA-O 3.34Å; T34-Q120 HydrophobicContact CG2-CG 4.07Å
35	A	98.8	Very high	95.4	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.7	174.2	0	0	0	0	0	110	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.5Å; A35-F46 HydrophobicContact CB-CD2 4.31Å; A35-D98 HydrophobicContact CB-CB 3.65Å; A35-L102 HydrophobicContact CB-CD1 3.87Å; A35-T118 WeakPolarHBondContact O-CA 3.38Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.85Å; A35-L119 PolarHBondContact O-N 2.63Å
36	V	98.6	Very high	96.6	Very high	52 Å²	52	52.1 Å²	52.1	32%	0.315	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.4	-179	-173.7	0	0	0	0	109.5	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.98Å; V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; V36-R45 PolarHBondContact N-O 3.17Å; V36-R45 PolarHBondContact O-N 3.03Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å
37	S	98.1	Very high	97	Very high	18 Å²	18	51 Å²	51	13%	0.126	28%	0.277	C	S	.	.			trans	-70.8	141.7	173.9	57.2	0	0	0	0	111.1	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.38Å; S37-S116 PolarHBondContact O-OG 2.91Å; S37-H117 PolarHBondContact N-O 2.83Å; S37-H117 WeakPolarHBondContact OG-CA 3.48Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.43Å
38	R	96.4	Very high	97.2	Very high	72 Å²	72	49.5 Å²	49.5	27%	0.272	27%	0.271	S	S	.	.			trans	-136.7	74.7	-176.6	52.7	175	176.3	-162.2	-9.2	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.44Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 3.47Å; R38-R41 VanDerWaalsContact NE-O 3.15Å; R38-R41 PolarHBondContact O-N 2.95Å; R38-E43 VanDerWaalsContact CZ-O 3.31Å; R38-E43 PolarHBondContact NE-O 3.04Å; R38-E43 PolarHBondContact NH2-O 3.34Å; R38-D63 IonicContact CZ-OD1 3.7Å; R38-D63 IonicContact CZ-OD2 3.82Å; R38-D63 IonicContact NH1-OD1 3.83Å; R38-D63 PolarHBondContact NH1-OD1 2.84Å; R38-D63 IonicContact NH1-OD2 3.85Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 3.92Å; R38-D63 PolarHBondContact NH2-OD1 2.97Å; R38-D63 IonicContact NH2-OD2 3.57Å
39	P	93.3	Very high	97.3	Very high	57 Å²	57	49.7 Å²	49.7	37%	0.37	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	131	-177.2	-26.7	34.4	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.42Å; P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å
40	G	92.2	Very high	97.3	Very high	89 Å²	89	49.7 Å²	49.7	92%	0.918	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	1.5	-177.8	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.44Å
41	R	94.1	Very high	97.3	Very high	206 Å²	206	50.4 Å²	50.4	78%	0.777	27%	0.274	S	S	*	.	S	Bend	trans	-124.2	26	179.8	-59.1	-174.1	-179.7	-175.4	0.7	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 3.47Å; R38-R41 VanDerWaalsContact NE-O 3.15Å; R38-R41 PolarHBondContact O-N 2.95Å; P39-R41 PolarHBondContact O-N 3.42Å
42	G	92.3	Very high	97.2	Very high	57 Å²	57	50.1 Å²	50.1	59%	0.588	27%	0.272	S	S	*	.	S	Bend	trans	93.7	-161.3	179.1	0	0	0	0	0	113.7
43	E	94.9	Very high	97.1	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.444	26%	0.262	S	S	.	.	S	Bend	trans	-70	155.7	-178.5	-63.7	-54.5	157.7	0	0	112.7	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.31Å; R38-E43 PolarHBondContact NE-O 3.04Å; R38-E43 PolarHBondContact NH2-O 3.34Å; E43-R45 PolarHBondContact O-N 3.03Å; E43-R99 IonicContact OE1-CZ 2.71Å; E43-R99 IonicContact OE1-NE 2.74Å; E43-R99 IonicContact OE1-NH1 2.86Å; E43-R99 IonicContact OE1-NH2 3.05Å; E43-R99 PolarHBondContact OE1-NH2 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.11Å; E43-R99 IonicContact OE2-CZ 3.42Å; E43-R99 IonicContact OE2-NE 3.37Å; E43-R99 PolarHBondContact OE2-NE 3.19Å; E43-R99 IonicContact OE2-NH1 3.53Å; E43-R99 IonicContact OE2-NH2 3.55Å; E43-R99 PolarHBondContact OE2-NH2 2.84Å
44	P	97.6	Very high	96.9	Very high	28 Å²	28	50.1 Å²	50.1	18%	0.182	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-51.1	133.8	172.6	-25.6	34.8	0	0	0	111.5	V36 R99 L102	V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.87Å
45	R	98.4	Very high	96.8	Very high	92 Å²	92	49.4 Å²	49.4	35%	0.347	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.6	173.3	-176.9	-178.9	-176.9	-176.8	-0.9	108.3	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.5Å; V36-R45 PolarHBondContact N-O 3.17Å; V36-R45 PolarHBondContact O-N 3.03Å; E43-R45 PolarHBondContact O-N 3.03Å; R45-I47 HydrophobicContact CG-CG1 4.4Å; R45-D61 IonicContact CZ-OD1 2.61Å; R45-D61 IonicContact CZ-OD2 3.94Å; R45-D61 IonicContact NE-OD1 3.41Å; R45-D61 PolarHBondContact NE-OD1 3.36Å; R45-D61 IonicContact NE-OD2 2.72Å; R45-D61 IonicContact NH2-OD1 2.81Å; R45-D61 PolarHBondContact NH2-OD1 3.03Å; R45-D61 IonicContact NH2-OD2 3.09Å; R45-D61 PolarHBondContact NH2-OD2 3.29Å; R45-S62 WeakPolarHBondContact CA-OG 3.34Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.35Å; R45-D63 HydrophobicContact CG-CB 4.43Å; R45-D63 IonicContact NE-OD2 3.52Å
46	F	98.8	Very high	96.7	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126	176.9	175.5	-92	0	0	0	109.8	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.25Å; Y33-F46 HydrophobicContact CD2-CE2 4.14Å; Y33-F46 AromaticContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CE2-CZ 4.36Å; Y33-F46 HydrophobicContact CG-CE2 4.08Å; Y33-F46 AromaticContact CG-CZ 3.81Å; Y33-F46 HydrophobicContact CG-CZ 3.81Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.31Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 3.9Å; F46-F60 HydrophobicContact CE1-CE1 4.25Å; F46-S62 PolarHBondContact N-OG 3.27Å; F46-S62 PolarHBondContact O-N 3.37Å; F46-S62 PolarHBondContact O-OG 3.32Å; F46-Y91 HydrophobicContact CE1-CD1 4.46Å; F46-Q94 HydrophobicContact CE2-CB 4.25Å; F46-Q94 HydrophobicContact CE2-CG 3.8Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.88Å; F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.84Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.62Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.38Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.35Å
47	I	98.8	Very high	96.7	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.256	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.4	174.5	-62	166.8	0	0	0	107.5	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.21Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 3.19Å; R45-I47 HydrophobicContact CG-CG1 4.4Å; I47-V49 HydrophobicContact CG2-CG1 4.4Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å
48	A	98.8	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	171.8	0	0	0	0	0	109.9	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.48Å; Y33-A48 HydrophobicContact CD1-CB 3.24Å; Y33-A48 HydrophobicContact CE1-CB 3.33Å; Y33-A48 HydrophobicContact CG-CB 4.16Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; A48-R59 CarbonylContact O-C 3.51Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.33Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.45Å; A48-F60 PolarHBondContact O-N 2.86Å; A48-Y91 HydrophobicContact CB-CD1 3.68Å; A48-Y91 HydrophobicContact CB-CE1 3.73Å; A48-Y91 HydrophobicContact CB-CG 4.49Å
49	V	98.8	Very high	96.8	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.9	172.3	-62.4	0	0	0	0	109.8	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.5Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.22Å; I47-V49 HydrophobicContact CG2-CG1 4.4Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; V49-R59 HydrophobicContact CG1-CG 4.28Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.2	175.8	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 3.39Å; G50-V58 PolarHBondContact N-O 3.45Å; G50-V58 PolarHBondContact O-N 2.96Å
51	Y	98.6	Very high	97.4	Very high	70 Å²	70	43.2 Å²	43.2	28%	0.275	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	-179.2	-76	-102.9	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.35Å; R30-Y51 PolarHBondContact N-O 3.09Å; R30-Y51 PolarHBondContact O-N 3.4Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.1	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.3	156.3	177	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 2.95Å; V52-T55 PolarHBondContact N-O 3.33Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 3.42Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å
53	D	95.4	Very high	97.8	Very high	29 Å²	29	35.7 Å²	35.7	16%	0.155	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-125.4	-166.7	-52.1	-39.1	0	0	0	110.4	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 2.73Å; H27-D53 IonicContact ND1-OD1 3.42Å; H27-D53 IonicContact ND1-OD2 3.48Å; H27-D53 PolarHBondContact ND1-OD2 3.39Å; S28-D53 PolarHBondContact N-OD1 3.5Å; S28-D53 PolarHBondContact O-N 2.93Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	95.2	Very high	97.9	Very high	64 Å²	64	32.8 Å²	32.8	34%	0.342	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.2	178.9	-61.2	-55.5	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.95Å; D54-Y233 HydrophobicContact CB-CE2 4.06Å; D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.82Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.3	Very high	97.9	Very high	25 Å²	25	37 Å²	37	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.7	-176.7	-61.6	0	0	0	0	111.8	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; V52-T55 PolarHBondContact N-O 3.33Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 3.42Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3Å; T55-A73 HydrophobicContact CG2-CB 4.43Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å
56	Q	97.5	Very high	97.8	Very high	53 Å²	53	36.5 Å²	36.5	25%	0.248	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.5	173.3	-166.7	-179.3	5.7	0	0	110.5	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.44Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 2.9Å; Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.09Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-21.3	179.5	75.2	-88.4	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.37Å; Y31-F57 AromaticContact CE1-CZ 3.97Å; Y31-F57 HydrophobicContact CE1-CZ 3.97Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 3.39Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; T55-F57 PolarHBondContact O-N 3Å; F57-R72 PolarHBondContact O-N 3.38Å; F57-A73 HydrophobicContact CB-CB 4.14Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; F57-V76 HydrophobicContact CD2-CB 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.31Å; F57-V76 WeakPolarHBondContact O-CG1 3.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CE2-CE2 3.79Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.39Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.7	179.9	65.3	0	0	0	0	112	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; G50-V58 PolarHBondContact N-O 3.45Å; G50-V58 PolarHBondContact O-N 2.96Å; Q56-V58 PolarHBondContact NE2-O 2.9Å; V58-E70 WeakPolarHBondContact CA-O 3.4Å; V58-W84 HydrophobicContact CG2-CZ3 4.06Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.49Å; V58-Y91 HydrophobicContact CG2-CE2 4.25Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.42Å
59	R	98.5	Very high	97.6	Very high	85 Å²	85	43.1 Å²	43.1	32%	0.321	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.7	171.3	179.4	172.4	170	164.5	-1.2	111.3	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.51Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.33Å; V49-R59 HydrophobicContact CG1-CG 4.28Å; R59-D61 IonicContact NH2-OD2 3.47Å; R59-D61 PolarHBondContact NH2-OD2 2.9Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 3.33Å; R59-R72 HydrophobicContact CB-CG 3.89Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.4	165.2	175.9	-81.9	0	0	0	109.2	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 3.9Å; F46-F60 HydrophobicContact CE1-CE1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.45Å; A48-F60 PolarHBondContact O-N 2.86Å; F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.83Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; F60-Y91 HydrophobicContact CB-CD1 4.39Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.04Å
61	D	98.7	Very high	97.5	Very high	18 Å²	18	46.8 Å²	46.8	10%	0.096	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	120.4	176.4	-164.4	-26.4	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.61Å; R45-D61 IonicContact CZ-OD2 3.94Å; R45-D61 IonicContact NE-OD1 3.41Å; R45-D61 PolarHBondContact NE-OD1 3.36Å; R45-D61 IonicContact NE-OD2 2.72Å; R45-D61 IonicContact NH2-OD1 2.81Å; R45-D61 PolarHBondContact NH2-OD1 3.03Å; R45-D61 IonicContact NH2-OD2 3.09Å; R45-D61 PolarHBondContact NH2-OD2 3.29Å; R59-D61 IonicContact NH2-OD2 3.47Å; R59-D61 PolarHBondContact NH2-OD2 2.9Å; D61-D63 PolarHBondContact O-N 2.94Å; D61-D63 PolarHBondContact OD1-N 3.47Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.1Å; D61-A64 PolarHBondContact O-N 2.92Å
62	S	98.3	Very high	97.5	Very high	35 Å²	35	48.9 Å²	48.9	25%	0.245	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.5	-179	68	0	0	0	0	113.3	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.34Å; F46-S62 PolarHBondContact N-OG 3.27Å; F46-S62 PolarHBondContact O-N 3.37Å; F46-S62 PolarHBondContact O-OG 3.32Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.18Å
63	D	97.6	Very high	97.4	Very high	71 Å²	71	49 Å²	49	38%	0.38	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.6	180	-77.9	4.2	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.7Å; R38-D63 IonicContact CZ-OD2 3.82Å; R38-D63 IonicContact NH1-OD1 3.83Å; R38-D63 PolarHBondContact NH1-OD1 2.84Å; R38-D63 IonicContact NH1-OD2 3.85Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 3.92Å; R38-D63 PolarHBondContact NH2-OD1 2.97Å; R38-D63 IonicContact NH2-OD2 3.57Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.35Å; R45-D63 HydrophobicContact CG-CB 4.43Å; R45-D63 IonicContact NE-OD2 3.52Å; D61-D63 PolarHBondContact O-N 2.94Å; D61-D63 PolarHBondContact OD1-N 3.47Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å
64	A	97.3	Very high	97.4	Very high	33 Å²	33	52.5 Å²	52.5	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-62.3	149.3	173	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.1Å; D61-A64 PolarHBondContact O-N 2.92Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å
65	A	96.8	Very high	97.4	Very high	117 Å²	117	50.1 Å²	50.1	97%	0.967	28%	0.28	S	S	*	.	S	Bend	trans	-58.8	-31.8	179.9	0	0	0	0	0	113
66	S	96.1	Very high	97.5	Very high	81 Å²	81	48.9 Å²	48.9	57%	0.566	27%	0.272	S	S	*	.	S	Bend	trans	-134.3	89	171.4	-173.3	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 2.87Å; S66-R68 VanDerWaalsContact O-N 3.11Å
67	P	97.1	Very high	97.4	Very high	34 Å²	34	52.3 Å²	52.3	22%	0.221	29%	0.289	C	S	.	.			trans	-63.9	113.3	-175	-24	35.2	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.83Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; S62-P67 WeakPolarHBondContact O-CG 3.18Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å; P67-K92 WeakPolarHBondContact O-CE 3.48Å; P67-K92 PolarHBondContact O-NZ 2.85Å
68	R	97.9	Very high	97.2	Very high	152 Å²	152	58 Å²	58	57%	0.574	32%	0.315	S	S	*	.			trans	-147.1	159.4	177.4	63.4	-176.2	173	177.9	-0.3	110.6	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; S66-R68 PolarHBondContact O-N 2.87Å; S66-R68 VanDerWaalsContact O-N 3.11Å; R68-E70 HydrophobicContact CG-CG 4.34Å; R68-E70 PolarHBondContact O-N 2.73Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97.5	Very high	97.1	Very high	6 Å²	6	58.5 Å²	58.5	6%	0.062	32%	0.317	C	S	.	.			trans	-64.9	129.6	168.3	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 2.91Å
70	E	97.8	Very high	97	Very high	58 Å²	58	56.2 Å²	56.2	27%	0.271	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.3	-178.6	-64.3	178.4	161.7	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.4Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 3.33Å; R68-E70 HydrophobicContact CG-CG 4.34Å; R68-E70 PolarHBondContact O-N 2.73Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH2 3.65Å; E70-R72 PolarHBondContact OE2-NH2 2.7Å
71	P	97.9	Very high	96.9	Very high	48 Å²	48	60.7 Å²	60.7	31%	0.312	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.5	172.6	28.5	-34	0	0	0	110.6	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.72Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.83Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.28Å
72	R	97.4	Very high	96.8	Very high	114 Å²	114	67.6 Å²	67.6	43%	0.43	38%	0.381	S	S	.	.			trans	-126.6	-0.8	174.6	-61.1	-65	171.5	176.6	-3.3	113.2	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.09Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 3.38Å; R59-R72 HydrophobicContact CB-CG 3.89Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH2 3.65Å; E70-R72 PolarHBondContact OE2-NH2 2.7Å
73	A	96	Very high	96.8	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.033	37%	0.371	C	S	.	.	S	Bend	trans	-138	143.5	173.1	0	0	0	0	0	110.9	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.43Å; F57-A73 HydrophobicContact CB-CB 4.14Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.68Å; A73-V76 WeakPolarHBondContact O-CG1 3.19Å; A73-V76 PolarHBondContact O-N 3.05Å
74	P	96	Very high	96.8	Very high	102 Å²	102	64.7 Å²	64.7	66%	0.662	36%	0.359	S	S	*	.	H	α-helix	trans	-58.2	-37.5	-177.3	-26.7	35	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3.34Å; P74-E77 WeakPolarHBondContact O-CB 3.37Å; P74-E77 PolarHBondContact O-N 3.01Å; P74-E77 VanDerWaalsContact O-N 3.07Å
75	W	95.8	Very high	96.8	Very high	13 Å²	13	68.2 Å²	68.2	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-69.3	-13.7	-175.8	53.1	-108	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.45Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.68Å; W75-Q78 WeakPolarHBondContact O-CG 3.28Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; W75-Q78 VanDerWaalsContact O-NE2 3.1Å; W75-Y195 HydrophobicContact CE3-CD1 4.27Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.62Å; W75-Y195 HydrophobicContact CZ3-CG 3.62Å; W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.43Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å
76	V	97.2	Very high	96.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-94.9	-15.4	172.7	82.8	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CD2-CB 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.31Å; F57-V76 WeakPolarHBondContact O-CG1 3.42Å; P71-V76 HydrophobicContact CB-CG1 3.72Å; A73-V76 WeakPolarHBondContact O-CG1 3.19Å; A73-V76 PolarHBondContact O-N 3.05Å; P74-V76 PolarHBondContact O-N 3.34Å; V76-Q78 PolarHBondContact O-N 2.94Å; V76-E79 HydrophobicContact CG2-CG 3.84Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.33Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 2.93Å; V76-Y83 HydrophobicContact CG2-CE1 4.24Å; V76-W84 HydrophobicContact CG1-CH2 3.83Å; V76-W84 HydrophobicContact CG1-CZ2 4.05Å; V76-W84 HydrophobicContact CG2-CH2 4.2Å; V76-W84 HydrophobicContact CG2-CZ2 4.24Å; V76-W84 WeakPolarHBondContact O-CZ2 3.5Å; V76-Y195 HydrophobicContact CG2-CE1 4.17Å
77	E	95.5	Very high	96.9	Very high	125 Å²	125	63.9 Å²	63.9	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-63.9	-25.6	-179.8	-65	-177.1	180	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P74-E77 WeakPolarHBondContact O-CB 3.37Å; P74-E77 PolarHBondContact O-N 3.01Å; P74-E77 VanDerWaalsContact O-N 3.07Å; E77-E79 PolarHBondContact O-N 2.68Å
78	Q	94.6	Very high	97	Very high	120 Å²	120	62.8 Å²	62.8	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.5	175.1	65.6	-178.8	-9.5	0	0	114	W75 V76 G80 N198	W75-Q78 WeakPolarHBondContact O-CG 3.28Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; W75-Q78 VanDerWaalsContact O-NE2 3.1Å; V76-Q78 PolarHBondContact O-N 2.94Å; Q78-G80 PolarHBondContact O-N 3.37Å; Q78-N198 PolarHBondContact NE2-ND2 3.16Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.18Å; Q78-N198 PolarHBondContact NE2-OD1 2.83Å
79	E	96.6	Very high	97	Very high	10 Å²	10	60.5 Å²	60.5	5%	0.047	31%	0.309	C	S	.	.	S	Bend	trans	-65.2	134.6	174.4	-66.2	-61.8	160.5	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.84Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.33Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 2.93Å; E77-E79 PolarHBondContact O-N 2.68Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.47Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 3.13Å; E79-R194 IonicContact OE1-NE 3.32Å; E79-R194 PolarHBondContact OE1-NE 3Å; E79-R194 IonicContact OE1-NH2 2.77Å; E79-R194 PolarHBondContact OE1-NH2 3.42Å; E79-R194 IonicContact OE2-CZ 3.07Å; E79-R194 IonicContact OE2-NE 3.07Å; E79-R194 IonicContact OE2-NH2 3.85Å; E79-R194 PolarHBondContact OE2-NH2 3.15Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å
80	G	95.8	Very high	97	Very high	36 Å²	36	63.4 Å²	63.4	37%	0.371	32%	0.32	S	S	.	.			trans	-68.9	168.7	-174.4	0	0	0	0	0	114.2	Q78 E82 Y83 W84	Q78-G80 PolarHBondContact O-N 3.37Å; G80-E82 PolarHBondContact O-N 3.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 2.93Å; G80-W84 PolarHBondContact O-N 2.81Å
81	P	96.8	Very high	97.1	Very high	98 Å²	98	60.6 Å²	60.6	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-57.6	-34.9	-178.4	23	-33.6	0	0	0	113.1	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.93Å; P81-W84 PolarHBondContact O-N 3.37Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 3.17Å
82	E	97.4	Very high	97.1	Very high	162 Å²	162	62.3 Å²	62.3	76%	0.757	31%	0.309	S	S	*	.	H	α-helix	trans	-60.4	-34.9	177.6	-63	-178.3	178.9	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 3.14Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 3.34Å
83	Y	97.4	Very high	97.1	Very high	7 Å²	7	64.7 Å²	64.7	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-51.9	174.3	168.7	-92.2	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.24Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.47Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 2.93Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.93Å; Y83-D85 PolarHBondContact O-N 2.61Å; Y83-R86 PolarHBondContact O-N 2.96Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.16Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 2.98Å; Y83-E87 PolarHBondContact O-N 3.06Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.23Å; Y83-W191 AromaticContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CE2-CE3 4.28Å; Y83-W191 AromaticContact CE2-CH2 3.89Å; Y83-W191 HydrophobicContact CE2-CH2 3.89Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.18Å; Y83-Y195 PolarHBondContact OH-OH 3Å
84	W	97.9	Very high	97.2	Very high	38 Å²	38	66.6 Å²	66.6	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-38.7	-177.8	-66.6	111.7	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.83Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.28Å; V76-W84 HydrophobicContact CG1-CH2 3.83Å; V76-W84 HydrophobicContact CG1-CZ2 4.05Å; V76-W84 HydrophobicContact CG2-CH2 4.2Å; V76-W84 HydrophobicContact CG2-CZ2 4.24Å; V76-W84 WeakPolarHBondContact O-CZ2 3.5Å; E79-W84 PolarHBondContact O-NE1 2.81Å; G80-W84 PolarHBondContact O-N 2.81Å; P81-W84 PolarHBondContact O-N 3.37Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.33Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 2.94Å
85	D	98	Very high	97.3	Very high	107 Å²	107	62.8 Å²	62.8	57%	0.572	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-46.7	174.7	-75.6	-22.2	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 3.17Å; Y83-D85 PolarHBondContact O-N 2.61Å; D85-T88 PolarHBondContact O-N 2.92Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 2.96Å
86	R	97.4	Very high	97.5	Very high	101 Å²	101	67.3 Å²	67.3	38%	0.381	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-47.7	178.3	-176.6	-179	65	-140.2	-4.2	112	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 3.34Å; Y83-R86 PolarHBondContact O-N 2.96Å; R86-Q89 PolarHBondContact O-N 2.71Å; R86-K90 WeakPolarHBondContact O-CG 3.25Å; R86-K90 PolarHBondContact O-N 2.89Å
87	E	97.5	Very high	97.5	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.028	34%	0.342	C	S	.	.	H	α-helix	trans	-65	-41.8	178.8	-65.1	-44.3	117.9	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.16Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 2.98Å; Y83-E87 PolarHBondContact O-N 3.06Å; E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CB 3.25Å; E87-K90 PolarHBondContact O-N 2.8Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 3.78Å; E87-K90 PolarHBondContact OE1-NZ 3.19Å; E87-K90 WeakPolarHBondContact OE2-CD 3.31Å; E87-K90 IonicContact OE2-NZ 3.63Å; E87-K90 PolarHBondContact OE2-NZ 3.21Å; E87-Y91 HydrophobicContact CB-CE2 3.98Å; E87-Y91 WeakPolarHBondContact O-CD2 3.18Å; E87-Y91 PolarHBondContact O-N 2.67Å
88	T	98.4	Very high	97.6	Very high	12 Å²	12	63.7 Å²	63.7	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-57.3	-44.6	173.8	-64.3	0	0	0	0	112.1	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 2.91Å; W84-T88 WeakPolarHBondContact O-CB 3.33Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 2.94Å; D85-T88 PolarHBondContact O-N 2.92Å; T88-Y91 PolarHBondContact O-N 3.05Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.99Å
89	Q	98.3	Very high	97.8	Very high	104 Å²	104	61.5 Å²	61.5	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-68.6	-33.7	177.5	-67.7	-58.2	-27.6	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 2.96Å; R86-Q89 PolarHBondContact O-N 2.71Å; E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 2.94Å; Q89-R93 WeakPolarHBondContact O-CB 3.21Å; Q89-R93 WeakPolarHBondContact O-CG 3.48Å; Q89-R93 PolarHBondContact O-N 3.04Å; Q89-R93 PolarHBondContact O-NE 2.8Å
90	K	97.6	Very high	97.8	Very high	66 Å²	66	64.5 Å²	64.5	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-50.6	171.5	-73.8	172.9	178.6	173.8	0	110.9	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.25Å; R86-K90 PolarHBondContact O-N 2.89Å; E87-K90 WeakPolarHBondContact O-CB 3.25Å; E87-K90 PolarHBondContact O-N 2.8Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 3.78Å; E87-K90 PolarHBondContact OE1-NZ 3.19Å; E87-K90 WeakPolarHBondContact OE2-CD 3.31Å; E87-K90 IonicContact OE2-NZ 3.63Å; E87-K90 PolarHBondContact OE2-NZ 3.21Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 3.04Å; K90-R93 PolarHBondContact O-N 2.87Å; K90-Q94 PolarHBondContact O-N 3.32Å
91	Y	98.6	Very high	98	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-42.4	178.4	-61.5	-48.1	0	0	0	112.6	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.2Å; Y33-Y91 AromaticContact CE1-CE1 3.83Å; Y33-Y91 HydrophobicContact CE1-CE1 3.83Å; Y33-Y91 AromaticContact CZ-CE1 3.86Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.47Å; F46-Y91 HydrophobicContact CE1-CD1 4.46Å; A48-Y91 HydrophobicContact CB-CD1 3.68Å; A48-Y91 HydrophobicContact CB-CE1 3.73Å; A48-Y91 HydrophobicContact CB-CG 4.49Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.49Å; V58-Y91 HydrophobicContact CG2-CE2 4.25Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.42Å; F60-Y91 HydrophobicContact CB-CD1 4.39Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; E87-Y91 HydrophobicContact CB-CE2 3.98Å; E87-Y91 WeakPolarHBondContact O-CD2 3.18Å; E87-Y91 PolarHBondContact O-N 2.67Å; T88-Y91 PolarHBondContact O-N 3.05Å; Y91-R93 PolarHBondContact O-N 2.88Å; Y91-Q94 PolarHBondContact O-N 2.82Å; Y91-A95 WeakPolarHBondContact O-CB 3.43Å; Y91-A95 PolarHBondContact O-N 3.35Å
92	K	98.4	Very high	98	Very high	84 Å²	84	60.6 Å²	60.6	37%	0.365	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.8	-74.1	179.4	179.9	177.7	0	112.7	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.04Å; P67-K92 WeakPolarHBondContact O-CE 3.48Å; P67-K92 PolarHBondContact O-NZ 2.85Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.99Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 3.04Å; K92-Q96 PolarHBondContact O-N 3.34Å
93	R	98.3	Very high	98	Very high	164 Å²	164	59.8 Å²	59.8	62%	0.619	28%	0.28	S	S	*	.	H	α-helix	trans	-64.9	-42.2	174.6	-75.7	-173.9	-67.8	174	0.3	111.3	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.21Å; Q89-R93 WeakPolarHBondContact O-CG 3.48Å; Q89-R93 PolarHBondContact O-N 3.04Å; Q89-R93 PolarHBondContact O-NE 2.8Å; K90-R93 PolarHBondContact O-N 2.87Å; Y91-R93 PolarHBondContact O-N 2.88Å; R93-Q96 PolarHBondContact O-N 3.13Å; R93-A97 PolarHBondContact O-N 2.83Å
94	Q	98.4	Very high	98	Very high	44 Å²	44	62.7 Å²	62.7	21%	0.206	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.8	-168.8	60.7	39.8	0	0	112.2	Y33 F46 K90 Y91 Q96 A97 D98 W121	Y33-Q94 HydrophobicContact CD2-CG 3.67Å; Y33-Q94 HydrophobicContact CE2-CB 4.41Å; Y33-Q94 HydrophobicContact CE2-CG 3.84Å; F46-Q94 HydrophobicContact CE2-CB 4.25Å; F46-Q94 HydrophobicContact CE2-CG 3.8Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.88Å; K90-Q94 PolarHBondContact O-N 3.32Å; Y91-Q94 PolarHBondContact O-N 2.82Å; Q94-Q96 PolarHBondContact O-N 2.93Å; Q94-A97 CarbonylContact O-C 3.51Å; Q94-A97 WeakPolarHBondContact O-CB 3.36Å; Q94-A97 PolarHBondContact O-N 2.88Å; Q94-D98 PolarHBondContact NE2-OD1 3.32Å; Q94-D98 PolarHBondContact O-N 3.25Å; Q94-W121 HydrophobicContact CG-CE3 4.35Å; Q94-W121 HydrophobicContact CG-CZ3 4.12Å
95	A	98.4	Very high	98.1	Very high	21 Å²	21	61.2 Å²	61.2	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-37.3	176	0	0	0	0	0	112.5	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.84Å; F46-A95 HydrophobicContact CD2-CB 4.16Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.43Å; Y91-A95 PolarHBondContact O-N 3.35Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 PolarHBondContact O-N 2.81Å; A95-R99 VanDerWaalsContact O-N 3.1Å
96	Q	98	Very high	98	Very high	108 Å²	108	58.9 Å²	58.9	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-71.7	-40.4	174.3	-64.4	-56.6	-41.1	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.34Å; R93-Q96 PolarHBondContact O-N 3.13Å; Q94-Q96 PolarHBondContact O-N 2.93Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.02Å; Q96-V100 WeakPolarHBondContact O-CG2 3.04Å; Q96-V100 PolarHBondContact O-N 2.91Å
97	A	98	Very high	98	Very high	43 Å²	43	56 Å²	56	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-48	174	0	0	0	0	0	111.3	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.83Å; Q94-A97 CarbonylContact O-C 3.51Å; Q94-A97 WeakPolarHBondContact O-CB 3.36Å; Q94-A97 PolarHBondContact O-N 2.88Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.33Å; A97-V100 WeakPolarHBondContact O-CA 3.2Å; A97-V100 WeakPolarHBondContact O-CB 2.94Å; A97-V100 PolarHBondContact O-N 2.79Å; A97-S101 PolarHBondContact O-N 2.84Å; A97-S101 PolarHBondContact O-OG 2.98Å
98	D	98.2	Very high	98.1	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.032	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-35.9	179.7	-74.6	1.3	0	0	0	112.3	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.65Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.38Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.35Å; Q94-D98 PolarHBondContact NE2-OD1 3.32Å; Q94-D98 PolarHBondContact O-N 3.25Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.79Å; D98-S101 PolarHBondContact O-N 3.26Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.83Å; D98-L119 HydrophobicContact CB-CD2 4.22Å
99	R	97.9	Very high	98.1	Very high	75 Å²	75	61.1 Å²	61.1	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-43.8	171.5	176.5	-170.9	179.2	-168.2	5.8	111.8	E43 P44 A95 Q96 A97 R103	E43-R99 IonicContact OE1-CZ 2.71Å; E43-R99 IonicContact OE1-NE 2.74Å; E43-R99 IonicContact OE1-NH1 2.86Å; E43-R99 IonicContact OE1-NH2 3.05Å; E43-R99 PolarHBondContact OE1-NH2 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.11Å; E43-R99 IonicContact OE2-CZ 3.42Å; E43-R99 IonicContact OE2-NE 3.37Å; E43-R99 PolarHBondContact OE2-NE 3.19Å; E43-R99 IonicContact OE2-NH1 3.53Å; E43-R99 IonicContact OE2-NH2 3.55Å; E43-R99 PolarHBondContact OE2-NH2 2.84Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.18Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 PolarHBondContact O-N 2.81Å; A95-R99 VanDerWaalsContact O-N 3.1Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.02Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.33Å; R99-R103 PolarHBondContact O-N 2.87Å
100	V	97.9	Very high	98	Very high	73 Å²	73	63.4 Å²	63.4	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-69.4	-42.6	177	175.8	0	0	0	0	110.3	Q96 A97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.04Å; Q96-V100 PolarHBondContact O-N 2.91Å; A97-V100 WeakPolarHBondContact O-CA 3.2Å; A97-V100 WeakPolarHBondContact O-CB 2.94Å; A97-V100 PolarHBondContact O-N 2.79Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.79Å; V100-L102 PolarHBondContact O-N 2.03Å; V100-R103 WeakPolarHBondContact O-CB 3.38Å; V100-R103 PolarHBondContact O-N 3.29Å; V100-N104 PolarHBondContact O-N 3Å
101	S	98.2	Very high	98	Very high	44 Å²	44	63.1 Å²	63.1	31%	0.308	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-45.6	176.7	-64	0	0	0	0	112.1	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 2.84Å; A97-S101 PolarHBondContact O-OG 2.98Å; D98-S101 PolarHBondContact O-N 3.26Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.38Å; S101-N104 PolarHBondContact O-N 2.95Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-L105 WeakPolarHBondContact O-CB 3.33Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 2.89Å
102	L	98.4	Very high	97.9	Very high	8 Å²	8	67 Å²	67	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-39.8	175.3	-78	167.3	0	0	0	112.3	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.87Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.87Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.83Å; V100-L102 PolarHBondContact O-N 2.03Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.42Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.01Å
103	R	97.2	Very high	97.6	Very high	144 Å²	144	69.3 Å²	69.3	54%	0.543	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-42.4	175.6	-173.2	-175.2	-63.3	164.5	1	112	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 2.87Å; V100-R103 WeakPolarHBondContact O-CB 3.38Å; V100-R103 PolarHBondContact O-N 3.29Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.38Å; R103-G107 PolarHBondContact O-N 2.77Å
104	N	97.8	Very high	97.4	Very high	69 Å²	69	65.4 Å²	65.4	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-47.3	178.8	-69.2	-20.2	0	0	0	111.4	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3Å; S101-N104 PolarHBondContact O-N 2.95Å; S101-N104 VanDerWaalsContact O-N 3.11Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.48Å; N104-G107 PolarHBondContact O-N 3.19Å; N104-Y108 HydrophobicContact CB-CE2 4.49Å; N104-Y108 WeakPolarHBondContact O-CD1 3.29Å; N104-Y108 PolarHBondContact O-N 3Å
105	L	98.3	Very high	97.2	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-49.2	178.9	-71.6	164.5	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.33Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 2.89Å; L105-G107 PolarHBondContact O-N 2.89Å; L105-Y108 PolarHBondContact O-N 3Å; L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 3.28Å; L105-L119 HydrophobicContact CD1-CD1 3.89Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CD1 4.34Å; L105-Y142 HydrophobicContact CB-CD2 4.18Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.48Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.39Å; L105-Y147 HydrophobicContact CD2-CD2 3.98Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 HydrophobicContact CD2-CG 4.46Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.16Å
106	R	97.5	Very high	97.2	Very high	58 Å²	58	67.1 Å²	67.1	22%	0.219	37%	0.371	C	S	.	.	H	α-helix	trans	-52.6	-41.2	173.9	-173.3	-172.6	66.5	176.6	10.4	112.2	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.42Å; L102-R106 VanDerWaalsContact O-N 3.09Å; R106-N110 PolarHBondContact O-N 2.93Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 PolarHBondContact O-N 3.45Å; R106-E113 IonicContact CZ-OE1 3.81Å; R106-E113 IonicContact NH1-OE1 2.78Å; R106-E113 IonicContact NH2-OE1 3.45Å; R106-E113 PolarHBondContact NH2-OE1 2.95Å
107	G	97.5	Very high	97.2	Very high	42 Å²	42	62.8 Å²	62.8	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-46.3	175.4	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.77Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.48Å; N104-G107 PolarHBondContact O-N 3.19Å; L105-G107 PolarHBondContact O-N 2.89Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.25Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 VanDerWaalsContact O-N 3.12Å
108	Y	98	Very high	97.2	Very high	58 Å²	58	62.5 Å²	62.5	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-36.1	179	-62.1	-17.1	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.49Å; N104-Y108 WeakPolarHBondContact O-CD1 3.29Å; N104-Y108 PolarHBondContact O-N 3Å; L105-Y108 PolarHBondContact O-N 3Å; Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.12Å; Y108-I166 HydrophobicContact CE2-CB 4.31Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; Y108-K170 PolarHBondContact OH-NZ 3.36Å
109	Y	98.1	Very high	97.3	Very high	67 Å²	67	62.7 Å²	62.7	26%	0.263	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.7	178.5	-69.4	-71.9	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 3.28Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.25Å; Y109-Q111 PolarHBondContact O-N 3.12Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.18Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.3Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.25Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	97.3	Very high	97.3	Very high	151 Å²	151	63 Å²	63	81%	0.807	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.8	-177.8	-57	-60	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.93Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 VanDerWaalsContact O-N 3.12Å
111	Q	97.6	Very high	97.3	Very high	61 Å²	61	60.7 Å²	60.7	29%	0.285	33%	0.334	S	S	.	.			trans	-88.2	153.5	-176.2	-70.9	166	-33.1	0	0	112.2	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 PolarHBondContact O-N 3.45Å; Y109-Q111 PolarHBondContact O-N 3.12Å; Q111-H117 PolarHBondContact NE2-CE1 3.48Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-Y142 PolarHBondContact OE1-OH 3.46Å; Q111-D143 PolarHBondContact NE2-OD2 3.01Å
112	S	95.7	Very high	97.4	Very high	81 Å²	81	59.5 Å²	59.5	57%	0.566	32%	0.324	S	S	*	.			trans	-67.9	146.8	179.8	176.4	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.27Å; S112-A114 PolarHBondContact OG-N 2.62Å; S112-G115 PolarHBondContact O-N 3.23Å
113	E	93.3	Very high	97.4	Very high	133 Å²	133	60 Å²	60	62%	0.621	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.4	174.9	-55.7	-153.1	127.1	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; R106-E113 IonicContact CZ-OE1 3.81Å; R106-E113 IonicContact NH1-OE1 2.78Å; R106-E113 IonicContact NH2-OE1 3.45Å; R106-E113 PolarHBondContact NH2-OE1 2.95Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.8	Very high	97.4	Very high	81 Å²	81	53.1 Å²	53.1	67%	0.669	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.9	178.8	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.27Å; S112-A114 PolarHBondContact OG-N 2.62Å
115	G	94.4	Very high	97.5	Very high	26 Å²	26	49.8 Å²	49.8	27%	0.268	28%	0.282	S	S	.	.	S	Bend	trans	-74.5	136.9	-179.6	0	0	0	0	0	112.6	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.4Å; S112-G115 PolarHBondContact O-N 3.23Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 2.84Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å
116	S	97.6	Very high	97.5	Very high	75 Å²	75	50.6 Å²	50.6	52%	0.524	29%	0.286	S	S	.	.			trans	-85	132.6	165	179.7	0	0	0	0	108.6	S37	S37-S116 WeakPolarHBondContact O-CB 3.38Å; S37-S116 PolarHBondContact O-OG 2.91Å
117	H	98.5	Very high	97.4	Very high	17 Å²	17	48 Å²	48	8%	0.079	28%	0.276	C	S	.	.			trans	-130.7	150.3	-177.9	-61.2	-76.3	0	0	0	111.1	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.83Å; S37-H117 WeakPolarHBondContact OG-CA 3.48Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.43Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 3.48Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; G115-H117 PolarHBondContact O-CD2 2.84Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å; H117-Y142 HydrophobicContact CB-CE2 3.77Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.81Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 WeakPolarHBondContact CB-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 3.74Å; H117-D143 IonicContact CG-OD1 3.2Å; H117-D143 IonicContact CG-OD2 2.63Å; H117-D143 IonicContact ND1-OD1 2.95Å; H117-D143 IonicContact ND1-OD2 3.74Å; H117-D143 PolarHBondContact ND1-OD2 2.99Å
118	T	98.8	Very high	97.2	Very high	37 Å²	37	46.4 Å²	46.4	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.6	-176.1	-60.6	0	0	0	0	110.2	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.05Å; A35-T118 WeakPolarHBondContact O-CA 3.38Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; T118-D143 PolarHBondContact N-OD1 3.19Å; T118-D143 PolarHBondContact O-N 2.97Å
119	L	98.9	Very high	96.8	Very high	11 Å²	11	48 Å²	48	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.7	169	174.8	61.9	0	0	0	108.2	T34 A35 D98 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.34Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.85Å; A35-L119 PolarHBondContact O-N 2.63Å; D98-L119 HydrophobicContact CB-CD2 4.22Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L105-L119 HydrophobicContact CD1-CD1 3.89Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å
120	Q	98.8	Very high	96.4	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.7	176	-68.3	170.8	-85.3	0	0	109.3	Y33 T34 T118 S140 A141	Y33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.07Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 VanDerWaalsContact O-CA 3.22Å; Q120-S140 WeakPolarHBondContact O-CA 3.43Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.47Å; Q120-A141 PolarHBondContact O-N 3.27Å
121	W	98.6	Very high	96	Very high	25 Å²	25	43.4 Å²	43.4	10%	0.095	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.4	178.4	-178.5	35.4	0	0	0	110	Y33 Q94 Y123 D138 Q139 S140 W180	Y33-W121 HydrophobicContact CD2-CD2 4.48Å; Y33-W121 AromaticContact CD2-CE3 3.52Å; Y33-W121 HydrophobicContact CD2-CE3 3.52Å; Y33-W121 AromaticContact CD2-CZ3 3.85Å; Y33-W121 HydrophobicContact CD2-CZ3 3.85Å; Y33-W121 HydrophobicContact CE2-CE3 4.02Å; Y33-W121 AromaticContact CE2-CZ3 3.86Å; Y33-W121 HydrophobicContact CE2-CZ3 3.86Å; Y33-W121 PolarHBondContact N-O 3.47Å; Y33-W121 PolarHBondContact O-N 3.44Å; Q94-W121 HydrophobicContact CG-CE3 4.35Å; Q94-W121 HydrophobicContact CG-CZ3 4.12Å; W121-Y123 AromaticContact CD2-CD1 4Å; W121-Y123 HydrophobicContact CD2-CD1 4Å; W121-Y123 AromaticContact CE2-CD1 3.69Å; W121-Y123 HydrophobicContact CE3-CD1 4.26Å; W121-Y123 HydrophobicContact CE3-CE1 4.32Å; W121-Y123 AromaticContact CH2-CD1 3.92Å; W121-Y123 HydrophobicContact CH2-CD1 3.92Å; W121-Y123 AromaticContact CH2-CE1 3.98Å; W121-Y123 HydrophobicContact CH2-CE1 3.98Å; W121-Y123 AromaticContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CE1 4.23Å; W121-Y123 HydrophobicContact CZ2-CG 4.3Å; W121-Y123 HydrophobicContact CZ3-CD1 4.19Å; W121-Y123 HydrophobicContact CZ3-CE1 4.01Å; W121-D138 PolarHBondContact NE1-OD1 3.29Å; W121-Q139 VanDerWaalsContact CD1-O 3.3Å; W121-S140 VanDerWaalsContact CD1-OG 3.27Å; W121-W180 AromaticContact CH2-CH2 3.27Å; W121-W180 HydrophobicContact CH2-CH2 3.27Å; W121-W180 AromaticContact CH2-CZ2 3.29Å; W121-W180 HydrophobicContact CH2-CZ2 3.29Å; W121-W180 HydrophobicContact CH2-CZ3 4.45Å; W121-W180 AromaticContact CZ2-CE2 3.97Å; W121-W180 AromaticContact CZ2-CH2 3.19Å; W121-W180 HydrophobicContact CZ2-CH2 3.19Å; W121-W180 AromaticContact CZ2-CZ2 3.12Å; W121-W180 HydrophobicContact CZ2-CZ2 3.12Å; W121-W180 HydrophobicContact CZ2-CZ3 4.1Å
122	M	98.7	Very high	95.8	Very high	19 Å²	19	48.7 Å²	48.7	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129	176.6	-172	-76.8	-70.1	0	0	109.1	Y31 F32 H137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.5Å; F32-M122 HydrophobicContact CD1-CB 4.06Å; F32-M122 HydrophobicContact CD1-CG 3.55Å; F32-M122 HydrophobicContact CE1-CB 4.29Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CG-CG 4.38Å; F32-M122 HydrophobicContact CZ-CG 4.09Å; M122-H137 HydrophobicContact CE-CB 3.86Å; M122-H137 HydrophobicContact SD-CB 4.11Å; M122-D138 WeakPolarHBondContact O-CA 3.17Å; M122-Q139 HydrophobicContact CB-CG 4.19Å; M122-Q139 HydrophobicContact CE-CG 3.87Å; M122-Q139 PolarHBondContact N-O 2.83Å; M122-Q139 PolarHBondContact O-N 3.29Å
123	Y	98.8	Very high	95.8	Very high	18 Å²	18	47.2 Å²	47.2	7%	0.071	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159	171.8	69.3	-94.3	0	0	0	110.9	Y31 Y33 W121 H137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.22Å; Y31-Y123 AromaticContact CD2-CE2 3.45Å; Y31-Y123 HydrophobicContact CD2-CE2 3.45Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.45Å; Y31-Y123 AromaticContact CD2-CZ 3.77Å; Y31-Y123 HydrophobicContact CE2-CE2 4.2Å; Y31-Y123 HydrophobicContact CG-CE1 4.42Å; Y31-Y123 AromaticContact CG-CE2 3.91Å; Y31-Y123 HydrophobicContact CG-CE2 3.91Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 2.85Å; Y31-Y123 PolarHBondContact O-N 3.38Å; Y33-Y123 HydrophobicContact CD2-CE1 4.2Å; Y33-Y123 HydrophobicContact CE1-CE1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.59Å; Y33-Y123 HydrophobicContact CE2-CE1 3.59Å; Y33-Y123 AromaticContact CZ-CE1 3.71Å; Y33-Y123 AromaticContact CZ-CZ 3.98Å; Y33-Y123 PolarHBondContact OH-OH 2.87Å; W121-Y123 AromaticContact CD2-CD1 4Å; W121-Y123 HydrophobicContact CD2-CD1 4Å; W121-Y123 AromaticContact CE2-CD1 3.69Å; W121-Y123 HydrophobicContact CE3-CD1 4.26Å; W121-Y123 HydrophobicContact CE3-CE1 4.32Å; W121-Y123 AromaticContact CH2-CD1 3.92Å; W121-Y123 HydrophobicContact CH2-CD1 3.92Å; W121-Y123 AromaticContact CH2-CE1 3.98Å; W121-Y123 HydrophobicContact CH2-CE1 3.98Å; W121-Y123 AromaticContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CE1 4.23Å; W121-Y123 HydrophobicContact CZ2-CG 4.3Å; W121-Y123 HydrophobicContact CZ3-CD1 4.19Å; W121-Y123 HydrophobicContact CZ3-CE1 4.01Å; Y123-H137 CarbonylContact C-O 3.42Å; Y123-H137 WeakPolarHBondContact CA-O 3.25Å; Y123-H137 VanDerWaalsContact CB-O 3.29Å; Y123-H137 WeakPolarHBondContact CB-O 3.45Å; Y123-W180 HydrophobicContact CD2-CZ3 4.06Å; Y123-W180 HydrophobicContact CG-CH2 4.41Å; Y123-W180 HydrophobicContact CG-CZ3 4.11Å; Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å
124	G	98.6	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-176.9	-178.7	0	0	0	0	0	114.4	M29 G136 H137 L184	M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; G124-G136 CarbonylContact O-C 3.54Å; G124-H137 PolarHBondContact N-O 3.19Å; G124-H137 PolarHBondContact O-N 3.07Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å
125	C	98.5	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.6	-177.6	53.3	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.43Å; M29-C125 PolarHBondContact N-O 3.33Å; M29-C125 PolarHBondContact O-N 3.15Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.24Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 2.86Å; C125-C188 WeakPolarHBondContact SG-CB 3.31Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.33Å
126	D	98.1	Very high	96.3	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.4	174	-52.4	-25.1	0	0	0	108.4	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å; R30-D126 IonicContact CZ-OD1 3.37Å; R30-D126 IonicContact NE-OD1 3.02Å; R30-D126 PolarHBondContact NE-OD1 3.44Å; R30-D126 VanDerWaalsContact NE-OD1 3.13Å; R30-D126 VanDerWaalsContact NH2-CG 3.33Å; R30-D126 IonicContact NH2-OD1 2.8Å; R30-D126 PolarHBondContact NH2-OD1 2.88Å; R30-D126 IonicContact NH2-OD2 3.56Å; R30-D126 PolarHBondContact NH2-OD2 3.27Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; D126-L134 HydrophobicContact CB-CB 4.45Å; D126-L134 PolarHBondContact O-N 3.46Å; D126-R135 HydrophobicContact CB-CB 4.28Å; D126-R135 PolarHBondContact N-O 2.82Å; D126-R135 PolarHBondContact O-N 2.8Å; D126-H137 IonicContact OD1-CD2 2.72Å; D126-H137 IonicContact OD1-NE2 2.7Å; D126-H137 IonicContact OD2-CD2 2.74Å; D126-H137 IonicContact OD2-CE1 2.83Å; D126-H137 IonicContact OD2-NE2 3.45Å; D126-H137 PolarHBondContact OD2-NE2 3.29Å
127	L	96.9	Very high	96.3	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.2	174.7	-56.8	-176.7	0	0	0	110.2	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.41Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å; H27-L127 PolarHBondContact N-O 2.98Å; H27-L127 VanDerWaalsContact N-O 3.13Å; H27-L127 PolarHBondContact O-N 3.31Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; L127-V189 HydrophobicContact CD2-CB 4.22Å; L127-V189 HydrophobicContact CD2-CG1 3.84Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.27Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.98Å
128	G	93.3	Very high	96.3	Very high	8 Å²	8	43.6 Å²	43.6	8%	0.082	22%	0.219	C	C	.	.			trans	-70.4	174.9	165.7	0	0	0	0	0	112.1	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.34Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.21Å; G128-G131 PolarHBondContact O-N 2.92Å; G128-R132 PolarHBondContact N-O 2.83Å
129	P	88.8	Confident	96.3	Very high	91 Å²	91	45.9 Å²	45.9	59%	0.591	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.8	178.8	-18.4	27.9	0	0	0	113.9	A24 G131	A24-P129 HydrophobicContact CB-CB 4.23Å; A24-P129 HydrophobicContact CB-CG 3.29Å; P129-G131 PolarHBondContact O-N 3.18Å
130	D	88.9	Confident	96.3	Very high	102 Å²	102	46.1 Å²	46.1	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.6	174.6	69.5	-14.5	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.34Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.21Å; D130-R132 WeakPolarHBondContact OD1-CB 3.05Å; D130-R132 PolarHBondContact OD1-N 2.59Å; D130-R132 WeakPolarHBondContact OD2-CD 3.26Å; D130-R132 WeakPolarHBondContact OD2-CG 3.37Å; D130-R132 IonicContact OD2-NE 2.75Å
131	G	89.1	Confident	96.3	Very high	20 Å²	20	43 Å²	43	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	71.7	10.4	-178.5	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.21Å; G128-G131 PolarHBondContact O-N 2.92Å; P129-G131 PolarHBondContact O-N 3.18Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 3.13Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 2.79Å
132	R	93.8	Very high	96.3	Very high	172 Å²	172	42.4 Å²	42.4	65%	0.649	22%	0.216	S	C	*	.	S	Bend	trans	-89.2	154.5	178.2	-61.7	-173.5	-174.8	170	-1.7	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; G128-R132 PolarHBondContact N-O 2.83Å; D130-R132 PolarHBondContact O-N 3.21Å; D130-R132 WeakPolarHBondContact OD1-CB 3.05Å; D130-R132 PolarHBondContact OD1-N 2.59Å; D130-R132 WeakPolarHBondContact OD2-CD 3.26Å; D130-R132 WeakPolarHBondContact OD2-CG 3.37Å; D130-R132 IonicContact OD2-NE 2.75Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.8	Very high	96.3	Very high	50 Å²	50	44.5 Å²	44.5	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	118.7	174.9	-176.5	72.5	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.14Å; L133-L154 HydrophobicContact CD2-CD1 4.24Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.05Å
134	L	96.2	Very high	96.3	Very high	126 Å²	126	46.4 Å²	46.4	66%	0.66	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	-46.1	171	-178.8	64.9	0	0	0	110.2	D126 R132	D126-L134 HydrophobicContact CB-CB 4.45Å; D126-L134 PolarHBondContact O-N 3.46Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.7	Very high	96.3	Very high	106 Å²	106	54.2 Å²	54.2	40%	0.4	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	140.9	-176.6	-172.7	173.7	177.2	133.9	10.1	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.24Å; D126-R135 HydrophobicContact CB-CB 4.28Å; D126-R135 PolarHBondContact N-O 2.82Å; D126-R135 PolarHBondContact O-N 2.8Å; L133-R135 WeakPolarHBondContact CD1-O 3.14Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 2.84Å; R135-E152 IonicContact CZ-OE1 3.83Å; R135-E152 IonicContact NH1-OE1 2.64Å; R135-E152 PolarHBondContact NH1-OE1 2.98Å; R135-E152 IonicContact NH2-OE1 3.05Å; R135-E152 PolarHBondContact NH2-OE1 2.72Å
136	G	98.1	Very high	96.3	Very high	6 Å²	6	60.3 Å²	60.3	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.9	169	0	0	0	0	0	110.9	G124	G124-G136 CarbonylContact O-C 3.54Å
137	H	98.3	Very high	96.3	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.4	-177.5	-55.5	-93.8	0	0	0	110.4	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.38Å; M122-H137 HydrophobicContact CE-CB 3.86Å; M122-H137 HydrophobicContact SD-CB 4.11Å; Y123-H137 CarbonylContact C-O 3.42Å; Y123-H137 WeakPolarHBondContact CA-O 3.25Å; Y123-H137 VanDerWaalsContact CB-O 3.29Å; Y123-H137 WeakPolarHBondContact CB-O 3.45Å; G124-H137 PolarHBondContact N-O 3.19Å; G124-H137 PolarHBondContact O-N 3.07Å; D126-H137 IonicContact OD1-CD2 2.72Å; D126-H137 IonicContact OD1-NE2 2.7Å; D126-H137 IonicContact OD2-CD2 2.74Å; D126-H137 IonicContact OD2-CE1 2.83Å; D126-H137 IonicContact OD2-NE2 3.45Å; D126-H137 PolarHBondContact OD2-NE2 3.29Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 2.84Å
138	D	98.5	Very high	96.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	110.7	164.8	175.9	-10.3	0	0	0	107.1	W121 M122 A149 L150 W180	W121-D138 PolarHBondContact NE1-OD1 3.29Å; M122-D138 WeakPolarHBondContact O-CA 3.17Å; D138-A149 WeakPolarHBondContact O-CA 3.46Å; D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.16Å; D138-L150 WeakPolarHBondContact O-CB 3.38Å; D138-L150 PolarHBondContact O-N 2.87Å; D138-W180 VanDerWaalsContact OD2-CD1 3.29Å; D138-W180 VanDerWaalsContact OD2-CG 3.28Å; D138-W180 PolarHBondContact OD2-NE1 2.89Å; D138-W180 VanDerWaalsContact OD2-NE1 3.16Å
139	Q	98.6	Very high	96.7	Very high	84 Å²	84	60.7 Å²	60.7	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	137.2	-178.6	65.2	-169	27.3	0	0	112.2	W121 M122 I148 A149	W121-Q139 VanDerWaalsContact CD1-O 3.3Å; M122-Q139 HydrophobicContact CB-CG 4.19Å; M122-Q139 HydrophobicContact CE-CG 3.87Å; M122-Q139 PolarHBondContact N-O 2.83Å; M122-Q139 PolarHBondContact O-N 3.29Å; Q139-I148 WeakPolarHBondContact CA-O 3.33Å; Q139-A149 HydrophobicContact CB-CB 3.78Å
140	S	98.6	Very high	97.1	Very high	16 Å²	16	57 Å²	57	11%	0.112	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146	179.2	-61	0	0	0	0	111.3	Q120 W121 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 VanDerWaalsContact O-CA 3.22Å; Q120-S140 WeakPolarHBondContact O-CA 3.43Å; W121-S140 VanDerWaalsContact CD1-OG 3.27Å; S140-Y147 WeakPolarHBondContact O-CB 3.18Å; S140-Y147 PolarHBondContact O-N 3.29Å; S140-I148 PolarHBondContact N-O 2.92Å; S140-I148 PolarHBondContact O-N 2.81Å
141	A	98.8	Very high	97.6	Very high	16 Å²	16	54.2 Å²	54.2	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.7	174.2	0	0	0	0	0	110.6	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.47Å; Q120-A141 PolarHBondContact O-N 3.27Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.19Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.34Å
142	Y	98.8	Very high	98	Very high	12 Å²	12	59.7 Å²	59.7	5%	0.047	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	177.8	-175	-120.7	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.01Å; L105-Y142 HydrophobicContact CB-CD1 4.34Å; L105-Y142 HydrophobicContact CB-CD2 4.18Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.48Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 3.46Å; H117-Y142 HydrophobicContact CB-CE2 3.77Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.81Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; Y142-G144 PolarHBondContact O-N 3.17Å; Y142-K145 PolarHBondContact N-O 3.01Å; Y142-K145 PolarHBondContact O-N 3.24Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.4	Very high	98.2	Very high	62 Å²	62	55.2 Å²	55.2	33%	0.332	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.5	-174.8	-66.5	-21.2	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.01Å; H117-D143 WeakPolarHBondContact CA-OD1 3.31Å; H117-D143 WeakPolarHBondContact CB-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 3.74Å; H117-D143 IonicContact CG-OD1 3.2Å; H117-D143 IonicContact CG-OD2 2.63Å; H117-D143 IonicContact ND1-OD1 2.95Å; H117-D143 IonicContact ND1-OD2 3.74Å; H117-D143 PolarHBondContact ND1-OD2 2.99Å; T118-D143 PolarHBondContact N-OD1 3.19Å; T118-D143 PolarHBondContact O-N 2.97Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 3.22Å
144	G	97.8	Very high	98.2	Very high	59 Å²	59	53.3 Å²	53.3	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	9.6	177.6	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.17Å
145	K	98.6	Very high	98.3	Very high	163 Å²	163	55.2 Å²	55.2	71%	0.709	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.2	176.4	-62	-179.5	-177.6	178.4	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.19Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.34Å; Y142-K145 PolarHBondContact N-O 3.01Å; Y142-K145 PolarHBondContact O-N 3.24Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 3.22Å; K145-Y147 PolarHBondContact O-N 2.86Å
146	D	98.7	Very high	98.4	Very high	129 Å²	129	52.1 Å²	52.1	69%	0.69	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	135.2	174.3	-64.4	-31	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.46Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	52.2 Å²	52.2	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-61.7	179.9	179.2	-106.9	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.39Å; L105-Y147 HydrophobicContact CD2-CD2 3.98Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 HydrophobicContact CD2-CG 4.46Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.16Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.18Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.3Å; S140-Y147 WeakPolarHBondContact O-CB 3.18Å; S140-Y147 PolarHBondContact O-N 3.29Å; K145-Y147 PolarHBondContact O-N 2.86Å; Y147-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 PolarHBondContact O-N 2.72Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.91Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.44Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141.7	179.6	-161.1	171.4	0	0	0	110.3	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.33Å; S140-I148 PolarHBondContact N-O 2.92Å; S140-I148 PolarHBondContact O-N 2.81Å; I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.5Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; I148-T158 WeakPolarHBondContact CA-O 3.38Å; I148-T167 HydrophobicContact CD1-CG2 4.04Å; I148-Q168 HydrophobicContact CD1-CB 3.95Å; I148-W171 HydrophobicContact CD1-CE3 4.03Å; I148-W171 HydrophobicContact CD1-CZ3 4.29Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.74Å
149	A	98.8	Very high	98.4	Very high	28 Å²	28	56.2 Å²	56.2	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.6	178.1	0	0	0	0	0	111.6	D138 Q139 W157 T158	D138-A149 WeakPolarHBondContact O-CA 3.46Å; Q139-A149 HydrophobicContact CB-CB 3.78Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.38Å; A149-T158 PolarHBondContact N-O 2.99Å; A149-T158 PolarHBondContact O-N 2.64Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55 Å²	55	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.4	168.6	-174.8	65.4	0	0	0	108.4	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.16Å; D138-L150 WeakPolarHBondContact O-CB 3.38Å; D138-L150 PolarHBondContact O-N 2.87Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.03Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; L150-W157 HydrophobicContact CG-CZ3 4.46Å; L150-A177 HydrophobicContact CD1-CB 3.93Å; L150-W180 HydrophobicContact CD2-CB 4.03Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.8 Å²	56.8	24%	0.235	32%	0.315	C	S	.	.			trans	-71.8	162.4	179.9	-66.8	-30	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 3.31Å; N151-S156 WeakPolarHBondContact CB-O 3.29Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-O 2.91Å; N151-S156 PolarHBondContact ND2-OG 3.37Å; N151-T158 PolarHBondContact ND2-OG1 3.3Å; N151-T158 WeakPolarHBondContact OD1-CB 3.41Å; N151-T158 PolarHBondContact OD1-OG1 2.83Å
152	E	97.3	Very high	98.4	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.9	-180	-65.4	-179.6	-177.7	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.83Å; R135-E152 IonicContact NH1-OE1 2.64Å; R135-E152 PolarHBondContact NH1-OE1 2.98Å; R135-E152 IonicContact NH2-OE1 3.05Å; R135-E152 PolarHBondContact NH2-OE1 2.72Å; E152-L154 PolarHBondContact O-N 3.41Å
153	D	97.5	Very high	98.3	Very high	77 Å²	77	61 Å²	61	41%	0.412	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.6	173.8	70.9	3.5	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.19Å; D153-R155 PolarHBondContact O-N 2.7Å; D153-R155 PolarHBondContact OD1-N 3.45Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.02Å; D153-S156 PolarHBondContact OD1-OG 3.29Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
154	L	98.1	Very high	98.3	Very high	10 Å²	10	58 Å²	58	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	53.2	29.1	-175.2	-53.1	-178.2	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.24Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 PolarHBondContact O-N 3.31Å; E152-L154 PolarHBondContact O-N 3.41Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L154-E185 HydrophobicContact CD1-CG 4.25Å
155	R	97.8	Very high	98.4	Very high	167 Å²	167	58.8 Å²	58.8	63%	0.63	31%	0.312	S	S	*	.	S	Bend	trans	-136.2	-31	-173.7	-71.4	169.4	-175.3	-110.4	11.8	112.9	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.19Å; D153-R155 PolarHBondContact O-N 2.7Å; D153-R155 PolarHBondContact OD1-N 3.45Å; R155-A177 WeakPolarHBondContact O-CB 3.29Å; R155-R181 VanDerWaalsContact CZ-NH1 3.35Å
156	S	98	Very high	98.4	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	29%	0.293	S	S	.	.			trans	-118	160.5	-176.9	63.4	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.29Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-O 2.91Å; N151-S156 PolarHBondContact ND2-OG 3.37Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.02Å; D153-S156 PolarHBondContact OD1-OG 3.29Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
157	W	98.7	Very high	98.4	Very high	9 Å²	9	48.5 Å²	48.5	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145	-177.9	-60.6	92.2	0	0	0	110.9	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.5Å; I148-W157 HydrophobicContact CG1-CB 4.33Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.38Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.03Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; L150-W157 HydrophobicContact CG-CZ3 4.46Å; W157-Q168 HydrophobicContact CB-CG 4.18Å; W157-Q168 PolarHBondContact O-NE2 3.09Å; W157-W171 AromaticContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CZ3 4.41Å; W157-W171 AromaticContact CE2-CE3 3.75Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CE3-CZ3 3.81Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CH2 4.5Å; W157-W171 AromaticContact CH2-CZ3 3.4Å; W157-W171 HydrophobicContact CH2-CZ3 3.4Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.02Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-E176 HydrophobicContact CZ2-CB 4.23Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å
158	T	98.7	Very high	98.4	Very high	79 Å²	79	50 Å²	50	49%	0.485	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.9	166.3	-66.7	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.38Å; A149-T158 PolarHBondContact N-O 2.99Å; A149-T158 PolarHBondContact O-N 2.64Å; N151-T158 PolarHBondContact ND2-OG1 3.3Å; N151-T158 WeakPolarHBondContact OD1-CB 3.41Å; N151-T158 PolarHBondContact OD1-OG1 2.83Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57 Å²	57	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.5	175.4	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	61.2 Å²	61.2	50%	0.496	31%	0.312	S	S	.	.	S	Bend	trans	-74.1	-30.9	-176.3	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 PolarHBondContact O-N 2.72Å
161	D	98.4	Very high	98.3	Very high	53 Å²	53	63.6 Å²	63.6	28%	0.283	32%	0.32	S	S	.	.	S	Bend	trans	-151.4	-175.5	-178	67.9	29.2	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.37Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.25Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.39Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 2.99Å; D161-A163 PolarHBondContact OD1-N 3.35Å; D161-A164 PolarHBondContact O-N 2.88Å; D161-A164 PolarHBondContact OD1-N 2.72Å; D161-Q165 WeakPolarHBondContact O-CG 3.42Å; D161-Q165 PolarHBondContact O-N 2.63Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	66.1 Å²	66.1	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.9	-179.1	51.4	0	0	0	0	114
163	A	98.2	Very high	98.3	Very high	5 Å²	5	63.9 Å²	63.9	4%	0.041	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-43.7	175.4	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.91Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.39Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 2.99Å; D161-A163 PolarHBondContact OD1-N 3.35Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.01Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.24Å; A163-I166 PolarHBondContact O-N 3.04Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-34.6	173.9	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.44Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 2.88Å; D161-A164 PolarHBondContact OD1-N 2.72Å; A164-I166 PolarHBondContact O-N 2.87Å; A164-T167 WeakPolarHBondContact O-CB 3.44Å; A164-T167 PolarHBondContact O-N 2.85Å; A164-Q168 PolarHBondContact O-N 3.07Å
165	Q	98.7	Very high	98.4	Very high	75 Å²	75	69.4 Å²	69.4	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-59.4	-27.1	173.2	-73.2	174.7	11.1	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.42Å; D161-Q165 PolarHBondContact O-N 2.63Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.01Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.4	Very high	98.4	Very high	58 Å²	58	63.9 Å²	63.9	30%	0.297	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-44.9	174.2	-56.6	171.4	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.12Å; Y108-I166 HydrophobicContact CE2-CB 4.31Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.24Å; A163-I166 PolarHBondContact O-N 3.04Å; A164-I166 PolarHBondContact O-N 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.4Å; I166-K170 PolarHBondContact O-N 3.18Å
167	T	98.3	Very high	98.4	Very high	19 Å²	19	62.3 Å²	62.3	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-46	174.7	-68.8	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å; I148-T167 HydrophobicContact CD1-CG2 4.04Å; A164-T167 WeakPolarHBondContact O-CB 3.44Å; A164-T167 PolarHBondContact O-N 2.85Å; T167-R169 PolarHBondContact O-N 2.84Å; T167-K170 WeakPolarHBondContact O-CB 3.29Å; T167-K170 PolarHBondContact O-N 2.74Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.18Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.41Å; T167-W171 HydrophobicContact CG2-CZ2 3.93Å; T167-W171 PolarHBondContact O-N 2.71Å
168	Q	98.6	Very high	98.4	Very high	40 Å²	40	66.7 Å²	66.7	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-51	-52.7	177.6	176.5	174.7	17.3	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.95Å; W157-Q168 HydrophobicContact CB-CG 4.18Å; W157-Q168 PolarHBondContact O-NE2 3.09Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 3.07Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.28Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.33Å; Q168-E172 PolarHBondContact NE2-OE1 2.83Å; Q168-E172 WeakPolarHBondContact O-CB 3.43Å; Q168-E172 WeakPolarHBondContact O-CG 3.33Å; Q168-E172 PolarHBondContact O-N 3.37Å
169	R	98.6	Very high	98.3	Very high	152 Å²	152	68.7 Å²	68.7	57%	0.574	36%	0.355	S	S	*	.	H	α-helix	trans	-60	-37.2	179.6	-68.8	171.1	-165	149.1	8.8	112.8	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 2.84Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.22Å; R169-A173 PolarHBondContact O-N 2.87Å
170	K	98.2	Very high	98.3	Very high	116 Å²	116	69.7 Å²	69.7	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-66.9	-44.7	176.9	-72	176.7	175.8	-175.3	0	111.1	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.36Å; I166-K170 WeakPolarHBondContact O-CG 3.4Å; I166-K170 PolarHBondContact O-N 3.18Å; T167-K170 WeakPolarHBondContact O-CB 3.29Å; T167-K170 PolarHBondContact O-N 2.74Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.28Å; K170-A173 PolarHBondContact O-N 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 2.81Å
171	W	98.3	Very high	98.3	Very high	64 Å²	64	70.3 Å²	70.3	24%	0.242	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-37.7	-179.2	-74.1	4.5	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 4.03Å; I148-W171 HydrophobicContact CD1-CZ3 4.29Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.74Å; W157-W171 AromaticContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CZ3 4.41Å; W157-W171 AromaticContact CE2-CE3 3.75Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CE3-CZ3 3.81Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CH2 4.5Å; W157-W171 AromaticContact CH2-CZ3 3.4Å; W157-W171 HydrophobicContact CH2-CZ3 3.4Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.02Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.18Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.41Å; T167-W171 HydrophobicContact CG2-CZ2 3.93Å; T167-W171 PolarHBondContact O-N 2.71Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.48Å; W171-R175 PolarHBondContact O-N 2.87Å; W171-E176 HydrophobicContact CB-CB 3.99Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.2Å; W171-E176 HydrophobicContact CG-CG 3.82Å; W171-E176 PolarHBondContact O-N 3.17Å
172	E	98.5	Very high	98.3	Very high	96 Å²	96	70.9 Å²	70.9	45%	0.449	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-46.2	171.8	-73.2	170.3	174.5	0	0	111.3	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.33Å; Q168-E172 PolarHBondContact NE2-OE1 2.83Å; Q168-E172 WeakPolarHBondContact O-CB 3.43Å; Q168-E172 WeakPolarHBondContact O-CG 3.33Å; Q168-E172 PolarHBondContact O-N 3.37Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.82Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.1Å
173	A	98.4	Very high	98.3	Very high	89 Å²	89	67.8 Å²	67.8	74%	0.736	33%	0.332	S	S	*	.	H	α-helix	trans	-62.5	-34.2	176.6	0	0	0	0	0	112.8	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.22Å; R169-A173 PolarHBondContact O-N 2.87Å; K170-A173 PolarHBondContact O-N 3.31Å
174	A	98.1	Very high	98.3	Very high	50 Å²	50	67.6 Å²	67.6	41%	0.413	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.4	176.5	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 2.81Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.48Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.82Å; A174-E176 VanDerWaalsContact C-N 3.25Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 2.87Å
175	R	97.9	Very high	98.3	Very high	153 Å²	153	71.9 Å²	71.9	58%	0.577	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	38.3	-177	-56.1	174.5	73.4	-170.4	2.1	113.1	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.87Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.1Å; R175-A177 PolarHBondContact O-N 2.84Å; R175-E178 HydrophobicContact CB-CG 4.46Å; R175-E178 VanDerWaalsContact CZ-CD 3.44Å; R175-E178 IonicContact CZ-OE1 3.69Å; R175-E178 IonicContact CZ-OE2 2.68Å; R175-E178 IonicContact NE-OE1 3.66Å; R175-E178 PolarHBondContact NE-OE1 2.97Å; R175-E178 IonicContact NE-OE2 2.75Å; R175-E178 PolarHBondContact NE-OE2 2.85Å; R175-E178 VanDerWaalsContact NE-OE2 3.13Å; R175-E178 IonicContact NH1-OE2 3.56Å; R175-E178 IonicContact NH2-OE1 2.66Å; R175-E178 PolarHBondContact NH2-OE1 3Å; R175-E178 IonicContact NH2-OE2 2.86Å; R175-E178 PolarHBondContact NH2-OE2 3.35Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 2.93Å; R175-E178 VanDerWaalsContact O-N 3.08Å
176	E	97.9	Very high	98.3	Very high	50 Å²	50	69.4 Å²	69.4	23%	0.234	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-35.1	-177.7	-67.6	-69.6	177.3	0	0	112.6	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.23Å; W171-E176 HydrophobicContact CB-CB 3.99Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.2Å; W171-E176 HydrophobicContact CG-CG 3.82Å; W171-E176 PolarHBondContact O-N 3.17Å; A174-E176 VanDerWaalsContact C-N 3.25Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 2.87Å; E176-E178 PolarHBondContact O-N 3.3Å; E176-E178 VanDerWaalsContact O-N 3.17Å; E176-Q179 PolarHBondContact O-N 2.74Å; E176-Q179 VanDerWaalsContact O-N 3.07Å; E176-W180 PolarHBondContact O-N 3.07Å
177	A	98.4	Very high	98.3	Very high	8 Å²	8	69.1 Å²	69.1	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-57.6	-31.9	178.1	0	0	0	0	0	112.7	L150 R155 W157 R175 R181	L150-A177 HydrophobicContact CD1-CB 3.93Å; R155-A177 WeakPolarHBondContact O-CB 3.29Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; R175-A177 PolarHBondContact O-N 2.84Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 2.97Å
178	E	98.3	Very high	98.3	Very high	100 Å²	100	68.2 Å²	68.2	47%	0.467	34%	0.34	S	S	.	.	H	α-helix	trans	-71.2	-36.1	178.5	-65.1	176.7	-167.4	0	0	112.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.46Å; R175-E178 VanDerWaalsContact CZ-CD 3.44Å; R175-E178 IonicContact CZ-OE1 3.69Å; R175-E178 IonicContact CZ-OE2 2.68Å; R175-E178 IonicContact NE-OE1 3.66Å; R175-E178 PolarHBondContact NE-OE1 2.97Å; R175-E178 IonicContact NE-OE2 2.75Å; R175-E178 PolarHBondContact NE-OE2 2.85Å; R175-E178 VanDerWaalsContact NE-OE2 3.13Å; R175-E178 IonicContact NH1-OE2 3.56Å; R175-E178 IonicContact NH2-OE1 2.66Å; R175-E178 PolarHBondContact NH2-OE1 3Å; R175-E178 IonicContact NH2-OE2 2.86Å; R175-E178 PolarHBondContact NH2-OE2 3.35Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 2.93Å; R175-E178 VanDerWaalsContact O-N 3.08Å; E176-E178 PolarHBondContact O-N 3.3Å; E176-E178 VanDerWaalsContact O-N 3.17Å; E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 3.26Å
179	Q	97.8	Very high	98.2	Very high	121 Å²	121	66.6 Å²	66.6	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-67.6	-45.2	175.4	-58.7	-175.2	34.3	0	0	110.4	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 2.74Å; E176-Q179 VanDerWaalsContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 3.14Å; Q179-Y183 PolarHBondContact O-N 2.68Å
180	W	98.2	Very high	98.2	Very high	45 Å²	45	65.3 Å²	65.3	17%	0.17	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-44.7	176.5	-80.9	109	0	0	0	112.5	W121 Y123 D138 L150 E176 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.27Å; W121-W180 HydrophobicContact CH2-CH2 3.27Å; W121-W180 AromaticContact CH2-CZ2 3.29Å; W121-W180 HydrophobicContact CH2-CZ2 3.29Å; W121-W180 HydrophobicContact CH2-CZ3 4.45Å; W121-W180 AromaticContact CZ2-CE2 3.97Å; W121-W180 AromaticContact CZ2-CH2 3.19Å; W121-W180 HydrophobicContact CZ2-CH2 3.19Å; W121-W180 AromaticContact CZ2-CZ2 3.12Å; W121-W180 HydrophobicContact CZ2-CZ2 3.12Å; W121-W180 HydrophobicContact CZ2-CZ3 4.1Å; Y123-W180 HydrophobicContact CD2-CZ3 4.06Å; Y123-W180 HydrophobicContact CG-CH2 4.41Å; Y123-W180 HydrophobicContact CG-CZ3 4.11Å; D138-W180 VanDerWaalsContact OD2-CD1 3.29Å; D138-W180 VanDerWaalsContact OD2-CG 3.28Å; D138-W180 PolarHBondContact OD2-NE1 2.89Å; D138-W180 VanDerWaalsContact OD2-NE1 3.16Å; L150-W180 HydrophobicContact CD2-CB 4.03Å; E176-W180 PolarHBondContact O-N 3.07Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.07Å; W180-Y183 AromaticContact CE3-CD1 3.98Å; W180-Y183 HydrophobicContact CE3-CD1 3.98Å; W180-Y183 AromaticContact CZ3-CD1 3.72Å; W180-Y183 HydrophobicContact CZ3-CD1 3.72Å; W180-Y183 HydrophobicContact CZ3-CE1 4.13Å; W180-Y183 HydrophobicContact CZ3-CG 4.4Å; W180-Y183 PolarHBondContact O-N 3.15Å; W180-L184 WeakPolarHBondContact O-CB 3.33Å; W180-L184 WeakPolarHBondContact O-CG 3.48Å; W180-L184 PolarHBondContact O-N 3.41Å
181	R	98.4	Very high	98.2	Very high	72 Å²	72	62.1 Å²	62.1	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-44.9	174.9	-174.1	171.5	-179.5	-133.1	-16.7	112.1	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.88Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; R155-R181 VanDerWaalsContact CZ-NH1 3.35Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 2.97Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.89Å; R181-L184 PolarHBondContact O-N 3.29Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.19Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.5Å; R181-E185 IonicContact NE-OE1 3.57Å; R181-E185 PolarHBondContact NE-OE1 3.49Å; R181-E185 IonicContact NE-OE2 3.49Å; R181-E185 PolarHBondContact NE-OE2 2.75Å; R181-E185 IonicContact NH2-OE1 3.04Å; R181-E185 PolarHBondContact NH2-OE1 3.23Å; R181-E185 IonicContact NH2-OE2 3.6Å; R181-E185 PolarHBondContact NH2-OE2 3.2Å; R181-E185 WeakPolarHBondContact O-CB 3.37Å; R181-E185 WeakPolarHBondContact O-CG 3.35Å; R181-E185 PolarHBondContact O-N 2.86Å
182	A	98.4	Very high	98.2	Very high	65 Å²	65	59 Å²	59	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-40	177.2	0	0	0	0	0	112.5	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 3.26Å; Q179-A182 PolarHBondContact O-N 3.14Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.07Å; A182-G186 PolarHBondContact O-N 3.32Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.3	Very high	98.1	Very high	46 Å²	46	60.3 Å²	60.3	18%	0.18	31%	0.308	C	S	.	.	I	π-helix	trans	-65.3	-47.9	174.3	171.6	-99.1	0	0	0	112	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å; Q179-Y183 PolarHBondContact O-N 2.68Å; W180-Y183 AromaticContact CE3-CD1 3.98Å; W180-Y183 HydrophobicContact CE3-CD1 3.98Å; W180-Y183 AromaticContact CZ3-CD1 3.72Å; W180-Y183 HydrophobicContact CZ3-CD1 3.72Å; W180-Y183 HydrophobicContact CZ3-CE1 4.13Å; W180-Y183 HydrophobicContact CZ3-CG 4.4Å; W180-Y183 PolarHBondContact O-N 3.15Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.89Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 2.83Å; Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.74Å; Y183-T187 PolarHBondContact O-N 3.44Å; Y183-T187 VanDerWaalsContact O-N 3.07Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.95Å; Y183-C188 WeakPolarHBondContact O-CB 3.24Å; Y183-C188 PolarHBondContact O-N 2.91Å
184	L	98.6	Very high	98.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-70.2	-40.2	-174.7	-69.3	171.1	0	0	0	112.6	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.49Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; W180-L184 WeakPolarHBondContact O-CB 3.33Å; W180-L184 WeakPolarHBondContact O-CG 3.48Å; W180-L184 PolarHBondContact O-N 3.41Å; R181-L184 PolarHBondContact O-N 3.29Å; L184-V189 WeakPolarHBondContact O-CG2 3.5Å
185	E	98.1	Very high	98.1	Very high	91 Å²	91	59.4 Å²	59.4	43%	0.425	28%	0.275	S	S	.	.	I	π-helix	trans	-78.5	-23.5	177.1	-68.4	-179.6	168.5	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.25Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.19Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.5Å; R181-E185 IonicContact NE-OE1 3.57Å; R181-E185 PolarHBondContact NE-OE1 3.49Å; R181-E185 IonicContact NE-OE2 3.49Å; R181-E185 PolarHBondContact NE-OE2 2.75Å; R181-E185 IonicContact NH2-OE1 3.04Å; R181-E185 PolarHBondContact NH2-OE1 3.23Å; R181-E185 IonicContact NH2-OE2 3.6Å; R181-E185 PolarHBondContact NH2-OE2 3.2Å; R181-E185 WeakPolarHBondContact O-CB 3.37Å; R181-E185 WeakPolarHBondContact O-CG 3.35Å; R181-E185 PolarHBondContact O-N 2.86Å
186	G	98.1	Very high	98	Very high	23 Å²	23	52.8 Å²	52.8	24%	0.237	25%	0.251	C	S	.	.	I	π-helix	trans	-110.2	-90.2	-177.4	0	0	0	0	0	112.7	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.32Å; A182-G186 VanDerWaalsContact O-N 3.12Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.66Å; G186-V189 PolarHBondContact O-N 3.12Å; G186-V189 VanDerWaalsContact O-N 3.13Å; G186-E190 WeakPolarHBondContact O-CG 3.41Å; G186-E190 PolarHBondContact O-N 3.44Å
187	T	98	Very high	97.9	Very high	51 Å²	51	56.5 Å²	56.5	31%	0.313	27%	0.268	S	S	.	.	I	π-helix	trans	-54.5	-43.3	-170.6	-57.3	0	0	0	0	113.1	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.74Å; Y183-T187 PolarHBondContact O-N 3.44Å; Y183-T187 VanDerWaalsContact O-N 3.07Å; T187-V189 PolarHBondContact O-N 3.19Å; T187-E190 PolarHBondContact O-N 3.14Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 PolarHBondContact O-N 3.34Å
188	C	98.4	Very high	97.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-60.5	-48.4	179.6	-171.1	0	0	0	0	111.6	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.45Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 2.86Å; C125-C188 WeakPolarHBondContact SG-CB 3.31Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.33Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.95Å; Y183-C188 WeakPolarHBondContact O-CB 3.24Å; Y183-C188 PolarHBondContact O-N 2.91Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.66Å; C188-E190 PolarHBondContact O-N 2.98Å; C188-W191 PolarHBondContact O-N 2.84Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 PolarHBondContact O-N 2.88Å
189	V	98.3	Very high	97.6	Very high	7 Å²	7	54 Å²	54	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-44.6	178.3	175.3	0	0	0	0	111.1	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD2-CB 4.22Å; L127-V189 HydrophobicContact CD2-CG1 3.84Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.05Å; L184-V189 WeakPolarHBondContact O-CG2 3.5Å; G186-V189 PolarHBondContact O-N 3.12Å; G186-V189 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 3.19Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 3.09Å
190	E	98.1	Very high	97.4	Very high	125 Å²	125	53.4 Å²	53.4	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-61.4	-46.4	179.1	-72	175.1	174.3	0	0	112.2	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.41Å; G186-E190 PolarHBondContact O-N 3.44Å; T187-E190 PolarHBondContact O-N 3.14Å; C188-E190 PolarHBondContact O-N 2.98Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.1	Very high	97.1	Very high	48 Å²	48	59.8 Å²	59.8	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-41.7	179.1	-82.4	100.6	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.4Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.23Å; Y83-W191 AromaticContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CE2-CE3 4.28Å; Y83-W191 AromaticContact CE2-CH2 3.89Å; Y83-W191 HydrophobicContact CE2-CH2 3.89Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 PolarHBondContact O-N 3.34Å; C188-W191 PolarHBondContact O-N 2.84Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.75Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.85Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.19Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.16Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.11Å
192	L	98.3	Very high	96.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-44.7	176.5	174.9	50.4	0	0	0	111.2	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.31Å; M29-L192 HydrophobicContact SD-CB 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.27Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.03Å; L192-Y195 PolarHBondContact O-N 2.84Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.8Å
193	R	97	Very high	96.3	Very high	122 Å²	122	55.7 Å²	55.7	46%	0.46	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-43.2	174.1	-72.3	174.6	-176.8	165.1	0.1	112.6	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.98Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 3.13Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 2.79Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 3.09Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.75Å; R193-L196 PolarHBondContact O-N 3.18Å; R193-E197 PolarHBondContact O-N 2.74Å
194	R	97.1	Very high	95.9	Very high	120 Å²	120	57.9 Å²	57.9	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-44.5	176.3	177.9	179.1	174.8	121.1	-4	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 3.13Å; E79-R194 IonicContact OE1-NE 3.32Å; E79-R194 PolarHBondContact OE1-NE 3Å; E79-R194 IonicContact OE1-NH2 2.77Å; E79-R194 PolarHBondContact OE1-NH2 3.42Å; E79-R194 IonicContact OE2-CZ 3.07Å; E79-R194 IonicContact OE2-NE 3.07Å; E79-R194 IonicContact OE2-NH2 3.85Å; E79-R194 PolarHBondContact OE2-NH2 3.15Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.85Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.03Å; R194-E197 PolarHBondContact O-N 3.13Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 3.03Å; R194-N198 PolarHBondContact O-OD1 3.11Å
195	Y	97.4	Very high	95.4	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-39.3	178.6	-62.4	-32.4	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.79Å; F57-Y195 HydrophobicContact CE2-CE2 3.79Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.39Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å; W75-Y195 HydrophobicContact CE3-CD1 4.27Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.62Å; W75-Y195 HydrophobicContact CZ3-CG 3.62Å; V76-Y195 HydrophobicContact CG2-CE1 4.17Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.18Å; Y83-Y195 PolarHBondContact OH-OH 3Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.19Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.16Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 3.11Å; L192-Y195 PolarHBondContact O-N 2.84Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.8Å; Y195-N198 PolarHBondContact O-N 2.86Å; Y195-G199 WeakPolarHBondContact O-CA 3.29Å; Y195-G199 PolarHBondContact O-N 2.71Å; Y195-L203 WeakPolarHBondContact O-CD1 3.26Å
196	L	95.9	Very high	95.1	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-35.9	174.5	-71.1	169.8	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.3Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.8Å; R193-L196 PolarHBondContact O-N 3.18Å; L196-K200 WeakPolarHBondContact O-CA 3.03Å; L196-K200 WeakPolarHBondContact O-CB 3.22Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 2.92Å
197	E	95.8	Very high	94.9	Very high	127 Å²	127	61.4 Å²	61.4	59%	0.593	29%	0.287	S	S	*	.	H	α-helix	trans	-71.9	-48.1	174.4	-172.1	60.1	-152.1	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.74Å; R194-E197 PolarHBondContact O-N 3.13Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.8Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.44Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 2.8Å
198	N	96.6	Very high	94.8	Very high	54 Å²	54	64.3 Å²	64.3	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-40	178.9	-75.4	-2.1	0	0	0	112.9	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.43Å; Q78-N198 PolarHBondContact NE2-ND2 3.16Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.18Å; Q78-N198 PolarHBondContact NE2-OD1 2.83Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 3.03Å; R194-N198 PolarHBondContact O-OD1 3.11Å; Y195-N198 PolarHBondContact O-N 2.86Å
199	G	95.4	Very high	94.8	Very high	2 Å²	2	64.4 Å²	64.4	2%	0.021	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	20.8	-176.3	0	0	0	0	0	113.4	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.29Å; Y195-G199 PolarHBondContact O-N 2.71Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.03Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 PolarHBondContact O-N 3.21Å; G199-L203 WeakPolarHBondContact O-CB 3.32Å; G199-L203 PolarHBondContact O-N 2.88Å
200	K	93.3	Very high	94.8	Very high	109 Å²	109	71 Å²	71	47%	0.474	33%	0.325	S	S	.	.	H	α-helix	trans	-49.7	-43.7	-171.9	-177.5	173.1	-174.4	173.7	0	113.9	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.03Å; L196-K200 WeakPolarHBondContact O-CB 3.22Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 2.8Å; K200-T202 PolarHBondContact O-N 3.36Å; K200-Q204 WeakPolarHBondContact O-CB 3.21Å; K200-Q204 PolarHBondContact O-N 2.84Å; K200-Q204 VanDerWaalsContact O-N 3.17Å
201	E	90.6	Very high	94.8	Very high	179 Å²	179	66.7 Å²	66.7	84%	0.836	31%	0.308	S	S	*	.	H	α-helix	trans	-64.9	-25.3	180	-62.6	-176	166.8	0	0	113.4	G199	G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.03Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	90	Very high	94.7	Very high	47 Å²	47	68.2 Å²	68.2	29%	0.288	32%	0.317	S	S	.	.	H	α-helix	trans	-105.7	-35.8	-175.4	-15.7	0	0	0	0	113.4	G199 K200 R205	G199-T202 PolarHBondContact O-N 3.21Å; K200-T202 PolarHBondContact O-N 3.36Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 2.75Å; T202-R205 VanDerWaalsContact O-NE 3.16Å
203	L	91.2	Very high	94.7	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-92	-29.6	-173.8	-63.8	172.6	0	0	0	112.7	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å; Y195-L203 WeakPolarHBondContact O-CD1 3.26Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.32Å; G199-L203 PolarHBondContact O-N 2.88Å
204	Q	88.8	Confident	94.7	Very high	91 Å²	91	65 Å²	65	43%	0.425	31%	0.311	S	S	.	.	S	Bend	trans	-102.8	20.1	178.7	-56.9	177.6	30.6	0	0	112	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.92Å; K200-Q204 WeakPolarHBondContact O-CB 3.21Å; K200-Q204 PolarHBondContact O-N 2.84Å; K200-Q204 VanDerWaalsContact O-N 3.17Å
205	R	89.5	Confident	94.7	Very high	82 Å²	82	61.8 Å²	61.8	31%	0.309	30%	0.301	S	S	.	.			trans	-93	147.3	171	75.9	-171.9	170.2	159.7	9.6	109.4	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 2.75Å; T202-R205 VanDerWaalsContact O-NE 3.16Å; R205-E207 IonicContact CZ-OE1 3.27Å; R205-E207 IonicContact NE-OE1 3.36Å; R205-E207 PolarHBondContact NE-OE1 2.82Å; R205-E207 IonicContact NH1-OE1 3.68Å; R205-E207 PolarHBondContact NH1-OE1 2.93Å; R205-E207 IonicContact NH2-OE1 2.87Å; R205-Y233 HydrophobicContact CG-CD1 4.22Å; R205-Y233 WeakPolarHBondContact O-CD1 3.46Å
206	A	91.9	Very high	94.5	Very high	44 Å²	44	65.7 Å²	65.7	36%	0.364	32%	0.319	S	S	.	.			trans	-119.4	120.2	165	0	0	0	0	0	108.6	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.41Å; A206-E288 HydrophobicContact CB-CB 4.42Å; A206-E288 HydrophobicContact CB-CG 4.38Å
207	E	94.1	Very high	94.4	Very high	63 Å²	63	69.8 Å²	69.8	29%	0.294	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-98.5	119.2	174.5	-67	-171.8	-150.8	0	0	108.4	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.27Å; R205-E207 IonicContact NE-OE1 3.36Å; R205-E207 PolarHBondContact NE-OE1 2.82Å; R205-E207 IonicContact NH1-OE1 3.68Å; R205-E207 PolarHBondContact NH1-OE1 2.93Å; R205-E207 IonicContact NH2-OE1 2.87Å; E207-F232 WeakPolarHBondContact O-CA 3.18Å; E207-F232 WeakPolarHBondContact O-CB 3.36Å; E207-Y233 PolarHBondContact N-O 3.14Å; E207-Y233 PolarHBondContact O-N 2.79Å; E207-Y233 VanDerWaalsContact O-N 3.07Å; E207-H287 PolarHBondContact O-CE1 3.44Å
208	H	95.4	Very high	94.2	Very high	111 Å²	111	68.2 Å²	68.2	51%	0.514	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70.8	146.9	-177.8	58.3	-98.3	0	0	0	111.8	K210 L290	H208-K210 PolarHBondContact O-N 2.87Å; H208-L290 HydrophobicContact CB-CD2 3.94Å
209	P	97.7	Very high	94	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.019	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-68.6	131	178.1	28.3	-35	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.92Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.75Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.91Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.48Å; P209-L290 HydrophobicContact CG-CG 4.24Å
210	K	97.9	Very high	93.7	Very high	144 Å²	144	75.3 Å²	75.3	63%	0.626	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.6	163.5	-64.8	172.9	-172.5	166.3	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 2.87Å; K210-L230 PolarHBondContact N-O 2.75Å; K210-L230 PolarHBondContact O-N 2.99Å
211	T	97.9	Very high	93.7	Very high	35 Å²	35	77 Å²	77	22%	0.215	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.4	-171.8	55.5	0	0	0	0	112.5	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.92Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.75Å; T211-W228 WeakPolarHBondContact CA-O 3.48Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.35Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å
212	H	97.3	Very high	93.9	Very high	81 Å²	81	73 Å²	73	38%	0.375	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	158.2	171.7	63.1	-74.7	0	0	0	110.3	W228	H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.41Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.63Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.76Å; H212-W228 PolarHBondContact O-N 2.82Å
213	V	98.2	Very high	94.2	Very high	22 Å²	22	70.8 Å²	70.8	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.5	176.1	-179.3	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.29Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.9	Very high	94.5	Very high	32 Å²	32	71.6 Å²	71.6	20%	0.196	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146	175	54.4	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.43Å; T214-L225 WeakPolarHBondContact O-CA 3.38Å; T214-R226 PolarHBondContact N-O 3.05Å; T214-R226 PolarHBondContact O-N 3.28Å; T214-R226 WeakPolarHBondContact OG1-CB 3.34Å; T214-R226 PolarHBondContact OG1-O 2.64Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.1Å
215	H	96.1	Very high	95	Very high	53 Å²	53	67.2 Å²	67.2	25%	0.245	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.6	-179.3	169.1	-91.6	0	0	0	109.8	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.75Å; H215-W298 HydrophobicContact CB-CD2 4.09Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.6	Very high	95.4	Very high	82 Å²	82	65.9 Å²	65.9	38%	0.38	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	105.9	-179.5	-59.1	83	0	0	0	109	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.43Å; H216-V218 PolarHBondContact O-N 3.05Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.2Å; H216-T224 PolarHBondContact N-O 3.16Å; H216-T224 PolarHBondContact O-N 3.17Å; H216-R226 PolarHBondContact CE1-NH1 2.98Å; H216-R226 VanDerWaalsContact CE1-NH1 3.34Å
217	P	93.8	Very high	95.7	Very high	100 Å²	100	63.8 Å²	63.8	65%	0.649	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	130.8	172.5	-19.5	30	0	0	0	110.5
218	V	91.1	Very high	95.9	Very high	94 Å²	94	63 Å²	63	57%	0.57	32%	0.321	S	S	*	.			trans	-104	-41.6	176	-179.2	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.05Å; V218-E222 PolarHBondContact N-O 2.8Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.47Å
219	S	92.1	Very high	96	Very high	54 Å²	54	57.8 Å²	57.8	38%	0.378	30%	0.296	S	S	.	.	S	Bend	trans	-147.4	-178.8	174.9	72.4	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.43Å; S219-H221 PolarHBondContact OG-N 2.89Å; S219-E222 PolarHBondContact N-O 3.23Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3Å
220	D	89.6	Confident	96.1	Very high	151 Å²	151	60.3 Å²	60.3	81%	0.807	31%	0.309	S	S	*	.	S	Bend	trans	-65.8	-11.1	172.9	-65.6	-22.4	0	0	0	113.3
221	H	93.1	Very high	96	Very high	145 Å²	145	54.4 Å²	54.4	67%	0.671	29%	0.289	S	S	*	.	S	Bend	trans	-115.5	-15.6	-175.8	-56.7	-44.5	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.43Å; S219-H221 PolarHBondContact OG-N 2.89Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.5Å; H221-S275 PolarHBondContact O-N 3.05Å
222	E	95.3	Very high	96	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.8	-171.2	-66.5	-179.4	164.7	0	0	112.1	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.8Å; S219-E222 PolarHBondContact N-O 3.23Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.25Å; E222-S275 PolarHBondContact N-OG 3.43Å
223	A	95.9	Very high	95.9	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156	170.9	0	0	0	0	0	110.7	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.2Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 2.93Å; A223-V273 PolarHBondContact O-N 3.42Å
224	T	97.6	Very high	95.7	Very high	21 Å²	21	48.8 Å²	48.8	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.7	170.4	-55.1	0	0	0	0	109.5	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.16Å; H216-T224 PolarHBondContact O-N 3.17Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.47Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.49Å
225	L	98.1	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.8	165	-63.2	-175.8	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.38Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 3.21Å; L225-V271 PolarHBondContact O-N 3.03Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.3	Very high	95.6	Very high	53 Å²	53	51.8 Å²	51.8	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.9	176	-178.9	-177.2	-61.1	114.6	2.9	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.29Å; T214-R226 PolarHBondContact N-O 3.05Å; T214-R226 PolarHBondContact O-N 3.28Å; T214-R226 WeakPolarHBondContact OG1-CB 3.34Å; T214-R226 PolarHBondContact OG1-O 2.64Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 2.98Å; H216-R226 VanDerWaalsContact CE1-NH1 3.34Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.36Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.4	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.1	175.3	-173.7	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.47Å; C227-W268 WeakPolarHBondContact O-CB 3.33Å; C227-A269 PolarHBondContact N-O 3.29Å; C227-A269 PolarHBondContact O-N 2.88Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.31Å
228	W	98.4	Very high	95.8	Very high	48 Å²	48	46.3 Å²	46.3	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.8	179.7	-70.1	90.2	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.48Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.41Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.63Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.76Å; H212-W228 PolarHBondContact O-N 2.82Å; T214-W228 PolarHBondContact OG1-NE1 3.1Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.85Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.5	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.6	162.2	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.39Å; A229-K267 PolarHBondContact N-O 3.32Å; A229-K267 PolarHBondContact O-N 3Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.3	Very high	96.4	Very high	56 Å²	56	41.5 Å²	41.5	29%	0.293	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.9	-174.9	-58.3	176.8	0	0	0	110.9	K210 W228 Q266	K210-L230 PolarHBondContact N-O 2.75Å; K210-L230 PolarHBondContact O-N 2.99Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.3	Very high	96.8	Very high	20 Å²	20	34.4 Å²	34.4	21%	0.206	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	34.7	168.1	0	0	0	0	0	113.9	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.37Å; G231-F265 PolarHBondContact N-O 3.23Å
232	F	97	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	155.7	179.4	59.1	-90.1	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.18Å; E207-F232 WeakPolarHBondContact O-CB 3.36Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 3.3Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.25Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.4Å; F232-F265 PolarHBondContact O-N 2.68Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233	Y	95.1	Very high	97.2	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.012	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-151.4	135.5	173.5	179	-84.1	0	0	0	108.9	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.06Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; R205-Y233 HydrophobicContact CG-CD1 4.22Å; R205-Y233 WeakPolarHBondContact O-CD1 3.46Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.41Å; E207-Y233 PolarHBondContact N-O 3.14Å; E207-Y233 PolarHBondContact O-N 2.79Å; E207-Y233 VanDerWaalsContact O-N 3.07Å; Y233-G263 WeakPolarHBondContact CD2-O 3.41Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.41Å; Y233-H287 PolarHBondContact O-CE1 3.1Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å
234	P	94.4	Very high	97.1	Very high	18 Å²	18	33.1 Å²	33.1	12%	0.117	17%	0.17	C	C	.	.	S	Bend	cis	-72.4	179.2	3.1	30.8	-36.7	0	0	0	113.3	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.3Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.25Å; P234-H287 PolarHBondContact O-NE2 3.48Å
235	A	95.9	Very high	96.8	Very high	14 Å²	14	34.5 Å²	34.5	12%	0.116	19%	0.188	C	C	.	.	S	Bend	trans	-70.6	-24.8	-175.4	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.82Å; A235-I237 PolarHBondContact O-N 3.17Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.1	Very high	96.7	Very high	133 Å²	133	41.5 Å²	41.5	62%	0.621	22%	0.221	S	C	*	.			trans	-64.8	118.2	179.4	-169.4	58.9	-143.9	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.25Å; E236-H287 PolarHBondContact O-CD2 3.36Å
237	I	96.1	Very high	96.6	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.046	24%	0.236	C	C	.	.			trans	-154.7	141.6	-178.1	-164.2	171.9	0	0	0	109.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 3.17Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	97.1	Very high	96.4	Very high	58 Å²	58	44.7 Å²	44.7	36%	0.356	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122	176.1	-59.3	0	0	0	0	110	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; T238-Q286 PolarHBondContact N-O 2.99Å; T238-Q286 PolarHBondContact O-N 3.05Å
239	L	97.8	Very high	96	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.5	173.1	-87.5	63	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-H284 WeakPolarHBondContact CA-O 3.5Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.28Å
240	T	97.6	Very high	95.5	Very high	41 Å²	41	56.6 Å²	56.6	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.4	176.5	56.6	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.31Å; T240-H284 PolarHBondContact N-O 2.72Å; T240-H284 PolarHBondContact O-N 3.29Å
241	W	98.2	Very high	95	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.6	169	-82.6	105.2	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.91Å; W241-A269 PolarHBondContact NE1-O 3.07Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.47Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.01Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; W241-T282 WeakPolarHBondContact CA-O 3.43Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.9	Very high	94.9	Very high	40 Å²	40	59.2 Å²	59.2	19%	0.187	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.6	171.2	-69.2	-173.3	-6.1	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.22Å; Q242-D247 PolarHBondContact NE2-OD1 3.32Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.28Å; Q242-T282 PolarHBondContact N-O 2.85Å; Q242-T282 PolarHBondContact O-N 3.16Å; Q242-H284 PolarHBondContact OE1-NE2 3.07Å
243	R	97.4	Very high	94.9	Very high	70 Å²	70	64.7 Å²	64.7	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.2	168.5	-176.6	-172.2	-176.6	178.9	1.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.88Å; R243-E246 PolarHBondContact N-O 3.19Å; R243-E246 PolarHBondContact O-N 2.82Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; R243-E277 IonicContact CZ-OE2 3.93Å; R243-E277 IonicContact NE-OE2 3.13Å; R243-E277 IonicContact NH2-OE1 2.75Å; R243-E277 IonicContact NH2-OE2 3.75Å; R243-E277 PolarHBondContact NH2-OE2 3Å; R243-R280 WeakPolarHBondContact CA-O 3.33Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.1Å
244	D	95.3	Very high	95	Very high	102 Å²	102	68.9 Å²	68.9	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	29.9	-175.5	-52.1	-54.2	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.13Å; D244-R280 IonicContact OD1-NE 3.8Å; D244-R280 PolarHBondContact OD1-NE 3.35Å; D244-R280 IonicContact OD2-CZ 3.53Å; D244-R280 IonicContact OD2-NE 3.56Å; D244-R280 PolarHBondContact OD2-NE 3.19Å; D244-R280 IonicContact OD2-NH2 2.68Å; D244-R280 PolarHBondContact OD2-NH2 3.1Å
245	G	91.6	Very high	95.1	Very high	50 Å²	50	69.6 Å²	69.6	52%	0.515	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-0.7	-177.6	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.88Å
246	E	95.6	Very high	95.1	Very high	147 Å²	147	77.1 Å²	77.1	69%	0.687	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.8	176.1	-63.1	-173.8	169.2	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; R243-E246 PolarHBondContact N-O 3.19Å; R243-E246 PolarHBondContact O-N 2.82Å; E246-Q248 PolarHBondContact O-NE2 2.79Å
247	D	95.3	Very high	95.2	Very high	96 Å²	96	73 Å²	73	51%	0.513	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.4	-179.9	-69.7	-26.4	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.22Å; Q242-D247 PolarHBondContact NE2-OD1 3.32Å
248	Q	94.9	Very high	95.3	Very high	25 Å²	25	77.2 Å²	77.2	12%	0.117	40%	0.401	C	S	.	.			trans	-104.6	37.7	-177.6	-57.9	-60.7	-69.3	0	0	112.3	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.91Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; E246-Q248 PolarHBondContact O-NE2 2.79Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q248-D251 PolarHBondContact O-N 2.91Å; Q248-T252 WeakPolarHBondContact O-CB 3.23Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 PolarHBondContact O-OG1 3.4Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	89.1	Confident	95.3	Very high	108 Å²	108	79 Å²	79	66%	0.663	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-35.7	-168.8	-48.1	0	0	0	0	114.2
250	Q	89.1	Confident	95.2	Very high	189 Å²	189	81 Å²	81	88%	0.883	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-31.4	-179.1	-66.9	-174.4	7.4	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.4	Confident	95	Very high	109 Å²	109	82.7 Å²	82.7	58%	0.583	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.8	-177.7	-57	-52	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.91Å
252	T	94.9	Very high	94.7	Very high	23 Å²	23	88 Å²	88	14%	0.141	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.5	179.8	-63.2	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.23Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 PolarHBondContact O-OG1 3.4Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.45Å; T252-L254 PolarHBondContact O-N 3.04Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å
253	E	96.8	Very high	94.3	Very high	115 Å²	115	88 Å²	88	54%	0.537	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	107.2	163.2	-174.1	-174.4	-171.7	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.48Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.06Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.5Å; E253-A270 PolarHBondContact O-N 2.88Å
254	L	96.8	Very high	94.3	Very high	91 Å²	91	85 Å²	85	48%	0.476	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.7	178	-173.5	68.6	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.45Å; T252-L254 PolarHBondContact O-N 3.04Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.7	Very high	94.4	Very high	33 Å²	33	81.5 Å²	81.5	20%	0.2	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-85.9	153.4	174.5	-64.8	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.34Å; V255-K267 WeakPolarHBondContact O-CG 3.29Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 3.17Å
256	E	96.6	Very high	94.7	Very high	171 Å²	171	81.2 Å²	81.2	80%	0.799	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.4	147.2	167.2	-68	-176.6	174.4	0	0	111	R258	E256-R258 PolarHBondContact O-N 2.04Å
257	T	97.7	Very high	94.9	Very high	46 Å²	46	75.2 Å²	75.2	28%	0.282	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-67.4	129.6	174	-56.2	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.03Å; T257-K267 PolarHBondContact OG1-NZ 3.24Å
258	R	97.1	Very high	95	Very high	99 Å²	99	71.8 Å²	71.8	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.5	-174.8	67.8	-169.1	-179.4	-179	5.3	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.04Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; R258-Q266 HydrophobicContact CG-CG 3.54Å; R258-Q266 PolarHBondContact N-O 2.89Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 3.33Å
259	P	97	Very high	95.2	Very high	95 Å²	95	70.6 Å²	70.6	62%	0.617	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.1	177.8	28.5	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.28Å
260	A	96.3	Very high	95.6	Very high	50 Å²	50	65.6 Å²	65.6	41%	0.413	37%	0.366	S	S	.	.			trans	-87.7	-18.3	173.2	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.36Å; A260-T264 WeakPolarHBondContact CB-O 3.33Å; A260-T264 PolarHBondContact N-O 2.86Å
261	G	92.6	Very high	96	Very high	76 Å²	76	56.7 Å²	56.7	78%	0.784	33%	0.325	S	S	*	.	S	Bend	trans	96.9	-7.2	178.4	0	0	0	0	0	114.9
262	D	92.2	Very high	96.5	Very high	113 Å²	113	54.9 Å²	54.9	60%	0.604	32%	0.318	S	S	*	.	S	Bend	trans	-104.2	11.7	175.8	60.4	0.9	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.36Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
263	G	90.9	Very high	96.6	Very high	41 Å²	41	53.9 Å²	53.9	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	89.7	-1.5	-173.9	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.41Å
264	T	96.1	Very high	96.5	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	30%	0.3	C	S	.	.			trans	-104.6	173.2	174	73.9	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.37Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.33Å; A260-T264 PolarHBondContact N-O 2.86Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
265	F	97.9	Very high	96.4	Very high	27 Å²	27	48.9 Å²	48.9	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	163.7	-177.2	-64	-85.9	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 3.23Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.25Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.4Å; F232-F265 PolarHBondContact O-N 2.68Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.41Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; P259-F265 HydrophobicContact CB-CE1 4.28Å
266	Q	98.2	Very high	96.1	Very high	44 Å²	44	50.5 Å²	50.5	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.8	174.4	44.9	169	-23.1	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.39Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.54Å; R258-Q266 PolarHBondContact N-O 2.89Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 3.33Å
267	K	98.5	Very high	96.1	Very high	21 Å²	21	45 Å²	45	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.9	177.3	-163	-176.1	-171.8	70	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.32Å; A229-K267 PolarHBondContact O-N 3Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.34Å; V255-K267 WeakPolarHBondContact O-CG 3.29Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.03Å; T257-K267 PolarHBondContact OG1-NZ 3.24Å
268	W	98.3	Very high	95.9	Very high	25 Å²	25	43.7 Å²	43.7	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.2	169.1	59	-98.2	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.47Å; C227-W268 WeakPolarHBondContact O-CB 3.33Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.85Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.48Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 3.17Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.3	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.9	173.5	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.36Å; C227-A269 PolarHBondContact N-O 3.29Å; C227-A269 PolarHBondContact O-N 2.88Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 PolarHBondContact NE1-O 3.07Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.06Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	98	Very high	95.8	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.1	179.6	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.5Å; E253-A270 PolarHBondContact O-N 2.88Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	97.9	Very high	95.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.1	176.1	63.8	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.49Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 3.21Å; L225-V271 PolarHBondContact O-N 3.03Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.47Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.01Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.47Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å
272	V	97.4	Very high	96.2	Very high	72 Å²	72	38.5 Å²	38.5	44%	0.436	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.6	171.5	-178.3	0	0	0	0	108.1	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å
273	V	96.6	Very high	96.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.4	-175.5	-51.7	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.25Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 2.93Å; A223-V273 PolarHBondContact O-N 3.42Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.47Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	96.4	Very high	96.8	Very high	46 Å²	46	32.9 Å²	32.9	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.7	170	-20.1	32.2	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.5Å; P274-G276 PolarHBondContact O-N 3.38Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.47Å; P274-E277 PolarHBondContact O-N 3.35Å
275	S	92.9	Very high	96.9	Very high	55 Å²	55	32.5 Å²	32.5	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	129.3	176.7	-62.7	0	0	0	0	111.2	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.05Å; E222-S275 PolarHBondContact N-OG 3.43Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.36Å
276	G	91.7	Very high	96.8	Very high	67 Å²	67	34.8 Å²	34.8	69%	0.691	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	-7.3	-176.3	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.38Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.79Å; G276-E278 PolarHBondContact N-OE2 3.44Å
277	E	95.4	Very high	96.7	Very high	56 Å²	56	32.8 Å²	32.8	26%	0.262	18%	0.181	S	C	.	.			trans	-100.2	4.5	175.9	-65.2	-160.8	-152.8	0	0	113.6	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.93Å; R243-E277 IonicContact NE-OE2 3.13Å; R243-E277 IonicContact NH2-OE1 2.75Å; R243-E277 IonicContact NH2-OE2 3.75Å; R243-E277 PolarHBondContact NH2-OE2 3Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.47Å; P274-E277 PolarHBondContact O-N 3.35Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.04Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 3.12Å; E277-R280 IonicContact OE1-NH1 3.87Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 3.68Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.25Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å
278	E	95.1	Very high	96.3	Very high	19 Å²	19	34.8 Å²	34.8	9%	0.089	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.2	-33	-171	-57.8	80.8	-177.1	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.75Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.36Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.79Å; G276-E278 PolarHBondContact N-OE2 3.44Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.42Å; E278-Y281 PolarHBondContact O-N 3.37Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.84Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	95.3	Very high	96	Very high	94 Å²	94	34.5 Å²	34.5	44%	0.439	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-72.4	-15.1	-178.9	-62.5	-57.1	-46	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.04Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-W298 PolarHBondContact NE2-O 3Å
280	R	96.8	Very high	95.8	Very high	99 Å²	99	35.5 Å²	35.5	37%	0.374	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-76.8	-16.5	172.9	-63.2	174.7	67.9	178.5	5.7	112.2	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.33Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 3.13Å; D244-R280 IonicContact OD1-NE 3.8Å; D244-R280 PolarHBondContact OD1-NE 3.35Å; D244-R280 IonicContact OD2-CZ 3.53Å; D244-R280 IonicContact OD2-NE 3.56Å; D244-R280 PolarHBondContact OD2-NE 3.19Å; D244-R280 IonicContact OD2-NH2 2.68Å; D244-R280 PolarHBondContact OD2-NH2 3.1Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 3.12Å; E277-R280 IonicContact OE1-NH1 3.87Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 3.68Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.25Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.42Å
281	Y	97.6	Very high	95.5	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.5	-177.1	-69.1	-100.4	0	0	0	111	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.28Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.1Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å; E278-Y281 PolarHBondContact O-N 3.37Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	98	Very high	95.2	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.5	175.9	49.8	0	0	0	0	110.4	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.43Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 2.85Å; Q242-T282 PolarHBondContact O-N 3.16Å; T282-H284 PolarHBondContact OG1-NE2 3.03Å; T282-T295 HydrophobicContact CG2-CG2 4.01Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.28Å; T282-R297 HydrophobicContact CG2-CG 3.69Å
283	C	98.2	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.6	170.1	174.1	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.31Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.31Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.21Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.36Å; C283-L296 PolarHBondContact O-N 3.38Å
284	H	97.9	Very high	95.1	Very high	35 Å²	35	51.7 Å²	51.7	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132	176.2	-63.8	-102.2	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.5Å; T240-H284 PolarHBondContact N-O 2.72Å; T240-H284 PolarHBondContact O-N 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 3.07Å; T282-H284 PolarHBondContact OG1-NE2 3.03Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; H284-T295 PolarHBondContact CE1-OG1 3.11Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å
285	V	98	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.4	-178.5	-175.1	0	0	0	0	109.2	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.91Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.28Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.45Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 3.22Å; V285-L296 HydrophobicContact CG2-CD1 3.77Å
286	Q	97.1	Very high	95.4	Very high	75 Å²	75	52.5 Å²	52.5	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.4	174.6	-56.6	177.1	7.4	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; T238-Q286 PolarHBondContact N-O 2.99Å; T238-Q286 PolarHBondContact O-N 3.05Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
287	H	95.2	Very high	95.6	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	29%	0.286	C	S	.	.			trans	-157.3	150.7	-177.5	-172.9	-98.7	0	0	0	110.2	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.44Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 3.1Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å; P234-H287 PolarHBondContact O-NE2 3.48Å; E236-H287 PolarHBondContact O-CD2 3.36Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 PolarHBondContact ND1-N 3.37Å; H287-G289 PolarHBondContact O-N 2.92Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.05Å; H287-L290 PolarHBondContact O-N 2.95Å
288	E	91.2	Very high	95.6	Very high	62 Å²	62	56.1 Å²	56.1	29%	0.29	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.9	-176.4	-166.4	171.8	156.2	0	0	112.7	W23 C25 A206 L290	W23-E288 HydrophobicContact CB-CG 4.42Å; W23-E288 HydrophobicContact CD2-CB 4.04Å; W23-E288 HydrophobicContact CD2-CG 4.12Å; W23-E288 HydrophobicContact CE3-CB 3.21Å; W23-E288 HydrophobicContact CE3-CG 3.44Å; W23-E288 VanDerWaalsContact CE3-CG 3.44Å; W23-E288 HydrophobicContact CH2-CB 4.15Å; W23-E288 HydrophobicContact CZ3-CB 3.29Å; W23-E288 HydrophobicContact CZ3-CG 4.06Å; C25-E288 PolarHBondContact SG-OE1 2.86Å; A206-E288 HydrophobicContact CB-CB 4.42Å; A206-E288 HydrophobicContact CB-CG 4.38Å; E288-L290 PolarHBondContact O-N 3.45Å
289	G	91.1	Very high	95.4	Very high	19 Å²	19	63.1 Å²	63.1	20%	0.196	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.8	178.8	0	0	0	0	0	113.4	H287	H287-G289 PolarHBondContact ND1-N 3.37Å; H287-G289 PolarHBondContact O-N 2.92Å
290	L	93.7	Very high	94.7	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.115	32%	0.318	C	S	.	.			trans	-98.5	126.8	178.8	-65.8	171.3	0	0	0	110.6	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 3.94Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.48Å; P209-L290 HydrophobicContact CG-CG 4.24Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.05Å; H287-L290 PolarHBondContact O-N 2.95Å; E288-L290 PolarHBondContact O-N 3.45Å; L290-E292 WeakPolarHBondContact CB-O 3.49Å; L290-E292 PolarHBondContact O-N 2.78Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.43Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; L290-L294 HydrophobicContact CG-CG 4.5Å
291	P	91.7	Very high	93.3	Very high	132 Å²	132	62.7 Å²	62.7	86%	0.857	34%	0.335	S	S	*	.	S	Bend	trans	-65.8	-31.1	175.1	27.4	-33.9	0	0	0	112.1
292	E	92.9	Very high	91	Very high	149 Å²	149	67.8 Å²	67.8	70%	0.696	37%	0.372	S	S	*	.	S	Bend	trans	-140.8	148.3	174.9	-66	-177.1	179.4	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.49Å; L290-E292 PolarHBondContact O-N 2.78Å; E292-L294 PolarHBondContact O-N 2.87Å
293	P	95.2	Very high	88.5	Confident	73 Å²	73	75 Å²	75	47%	0.474	41%	0.405	S	S	.	.			trans	-54.4	137	174.4	-27.3	36.2	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.45Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
294	L	96.8	Very high	86	Confident	62 Å²	62	79.8 Å²	79.8	33%	0.325	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.3	175.7	-63.2	177.4	0	0	0	110.6	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.35Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 3.22Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.43Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; L290-L294 HydrophobicContact CG-CG 4.5Å; E292-L294 PolarHBondContact O-N 2.87Å
295	T	97.6	Very high	83.9	Confident	86 Å²	86	84.5 Å²	84.5	53%	0.528	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.9	170.3	-56.6	0	0	0	0	108.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.01Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.21Å; H284-T295 PolarHBondContact CE1-OG1 3.11Å; H284-T295 PolarHBondContact ND1-OG1 2.93Å
296	L	97.1	Very high	81.8	Confident	33 Å²	33	89.3 Å²	89.3	17%	0.173	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142	-174.7	-62.1	139.4	0	0	0	110.2	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.14Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.28Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.36Å; C283-L296 PolarHBondContact O-N 3.38Å; V285-L296 HydrophobicContact CG2-CD1 3.77Å
297	R	96.3	Very high	79.9	Confident	151 Å²	151	89.8 Å²	89.8	57%	0.57	50%	0.502	S	S	*	.			trans	-116.8	161.7	166.3	-73.5	-176.6	177.3	146.3	3.2	109.4	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.69Å; R297-E299 PolarHBondContact O-N 3.34Å
298	W	95.8	Very high	78.2	Confident	47 Å²	47	95.3 Å²	95.3	18%	0.178	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-70	121.8	167.5	170.6	57.7	0	0	0	110.2	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.09Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.84Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3Å; W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.31Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.07Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å
299	E	89.9	Confident	76.7	Confident	167 Å²	167	98.2 Å²	98.2	78%	0.78	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-101.1	121	169.8	-72.4	-177.8	178.1	0	0	109.4	R297 S301	R297-E299 PolarHBondContact O-N 3.34Å; E299-S301 PolarHBondContact O-N 3.06Å
300	P	81.8	Confident	75.5	Confident	79 Å²	79	99.3 Å²	99.3	51%	0.513	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-59.1	129	171.5	-19.4	30.2	0	0	0	109.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.31Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.07Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å; P300-S302 PolarHBondContact O-N 3.07Å
301	S	65.5	Low	74.5	Confident	105 Å²	105	102.9 Å²	102.9	73%	0.734	58%	0.581	S	S	*	*			trans	-57.6	111.5	-179.1	66.9	0	0	0	0	110	E299 Q303	E299-S301 PolarHBondContact O-N 3.06Å; S301-Q303 PolarHBondContact O-N 3.17Å
302	S	50.3	Low	73.7	Confident	114 Å²	114	100.8 Å²	100.8	80%	0.797	57%	0.566	S	S	*	*			trans	-77.5	65.1	167	49.7	0	0	0	0	108.6	P300 P304	P300-S302 PolarHBondContact O-N 3.07Å; S302-P304 WeakPolarHBondContact O-CD 3.39Å
303	Q	46.4	Very low	72.8	Confident	162 Å²	162	96.2 Å²	96.2	76%	0.757	55%	0.554	S	S	*	*			trans	-71.2	107.8	154.7	-82.6	-168.5	-15.9	0	0	105.7	S301 T305	S301-Q303 PolarHBondContact O-N 3.17Å; Q303-T305 PolarHBondContact O-N 2.85Å
304	P	45.7	Very low	72.1	Confident	101 Å²	101	94.4 Å²	94.4	66%	0.656	55%	0.549	S	S	*	.			trans	-57.9	118.9	164.3	25.7	-30.6	0	0	0	104.9	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-I306 HydrophobicContact CB-CG1 4.38Å; P304-I306 HydrophobicContact CG-CG1 4.31Å; P304-I306 PolarHBondContact O-N 3.08Å
305	T	52.3	Low	71.5	Confident	134 Å²	134	96.7 Å²	96.7	82%	0.822	56%	0.561	S	S	*	*			trans	-64.9	81.6	159.6	-45.5	0	0	0	0	104.5	Q303 P307	Q303-T305 PolarHBondContact O-N 2.85Å; T305-P307 VanDerWaalsContact O-CD 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.36Å
306	I	55.1	Low	70.8	Confident	100 Å²	100	95.2 Å²	95.2	51%	0.513	56%	0.557	S	S	.	*			trans	-52.8	119.8	167.2	-64.8	172.7	0	0	0	102.9	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.38Å; P304-I306 HydrophobicContact CG-CG1 4.31Å; P304-I306 PolarHBondContact O-N 3.08Å; I306-I308 HydrophobicContact CB-CG1 4.43Å; I306-I308 HydrophobicContact CG2-CG1 4.19Å; I306-I308 PolarHBondContact O-N 3.23Å; I306-I311 HydrophobicContact CG2-CD1 4.02Å
307	P	56.9	Low	70.2	Confident	85 Å²	85	97.9 Å²	97.9	55%	0.552	57%	0.574	S	S	*	*			trans	-73.9	77.2	-178.4	30.3	-32.5	0	0	0	106.5	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.36Å; P307-V309 PolarHBondContact O-N 3.04Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.37Å; P307-G310 PolarHBondContact O-N 3.33Å; P307-I311 PolarHBondContact O-N 2.82Å; P307-I311 VanDerWaalsContact O-N 3.15Å
308	I	60.3	Low	69.7	Low	119 Å²	119	96.1 Å²	96.1	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-54.6	-34.3	177.3	-66	169.7	0	0	0	108.2	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.43Å; I306-I308 HydrophobicContact CG2-CG1 4.19Å; I306-I308 PolarHBondContact O-N 3.23Å; I308-G310 PolarHBondContact O-N 3.45Å; I308-I311 PolarHBondContact O-N 3.2Å; I308-V312 HydrophobicContact CG2-CG2 4.19Å; I308-V312 WeakPolarHBondContact O-CB 3.5Å; I308-V312 WeakPolarHBondContact O-CG2 3.14Å; I308-V312 PolarHBondContact O-N 3.41Å
309	V	59.7	Low	69.2	Low	122 Å²	122	96.6 Å²	96.6	74%	0.739	59%	0.589	S	S	*	*	H	α-helix	trans	-60.3	-41.7	172.6	179	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.04Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.31Å
310	G	64.8	Low	68.9	Low	43 Å²	43	92.8 Å²	92.8	44%	0.443	58%	0.577	S	S	.	*	H	α-helix	trans	-69.4	-38.5	179.7	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.37Å; P307-G310 PolarHBondContact O-N 3.33Å; I308-G310 PolarHBondContact O-N 3.45Å; G310-G314 PolarHBondContact O-N 2.87Å
311	I	72.8	Confident	69.1	Low	96 Å²	96	93.9 Å²	93.9	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-70	-44.1	176.6	-61.9	173.6	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.02Å; P307-I311 PolarHBondContact O-N 2.82Å; P307-I311 VanDerWaalsContact O-N 3.15Å; I308-I311 PolarHBondContact O-N 3.2Å; I311-G314 PolarHBondContact O-N 3.23Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.18Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 3.49Å
312	V	74.6	Confident	69.9	Low	89 Å²	89	92 Å²	92	54%	0.539	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-42.4	178	172.7	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.19Å; I308-V312 WeakPolarHBondContact O-CB 3.5Å; I308-V312 WeakPolarHBondContact O-CG2 3.14Å; I308-V312 PolarHBondContact O-N 3.41Å; V312-L315 PolarHBondContact O-N 3.35Å; V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 3.01Å
313	A	74.9	Confident	71.5	Confident	52 Å²	52	90.9 Å²	90.9	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-63	-43.2	174.7	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.31Å; A313-A316 PolarHBondContact O-N 3.12Å; A313-V317 WeakPolarHBondContact O-CG2 3.32Å; A313-V317 PolarHBondContact O-N 3.07Å
314	G	80	Confident	73.2	Confident	36 Å²	36	88 Å²	88	37%	0.371	55%	0.547	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.5	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.87Å; I311-G314 PolarHBondContact O-N 3.23Å; G314-V317 PolarHBondContact O-N 2.98Å; G314-L318 PolarHBondContact O-N 3.13Å
315	L	84.9	Confident	74.9	Confident	110 Å²	110	85.1 Å²	85.1	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-67.1	-38.4	176.9	-72.2	172.5	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.18Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 3.49Å; V312-L315 PolarHBondContact O-N 3.35Å; L315-L318 PolarHBondContact O-N 2.83Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 2.7Å
316	A	82.8	Confident	76.2	Confident	54 Å²	54	81.4 Å²	81.4	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-42.9	175.6	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 3.01Å; A313-A316 PolarHBondContact O-N 3.12Å; A316-A319 PolarHBondContact O-N 3.08Å; A316-V320 WeakPolarHBondContact O-CG2 3.12Å; A316-V320 PolarHBondContact O-N 3.39Å
317	V	84.8	Confident	77.4	Confident	89 Å²	89	80.4 Å²	80.4	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-44.3	176.2	172.9	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.32Å; A313-V317 PolarHBondContact O-N 3.07Å; G314-V317 PolarHBondContact O-N 2.98Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.98Å; V317-V320 PolarHBondContact O-N 3.04Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 3.44Å
318	L	84.9	Confident	78.3	Confident	115 Å²	115	82 Å²	82	60%	0.602	52%	0.518	S	S	*	.	H	α-helix	trans	-61.1	-41.5	176.5	-85.6	164	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.13Å; L315-L318 PolarHBondContact O-N 2.83Å; L318-L321 PolarHBondContact O-N 2.93Å; L318-A322 WeakPolarHBondContact O-CB 3.2Å; L318-A322 PolarHBondContact O-N 3.5Å
319	A	84.8	Confident	78.9	Confident	56 Å²	56	79 Å²	79	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.5	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 2.7Å; A316-A319 PolarHBondContact O-N 3.08Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.98Å; A319-A322 PolarHBondContact O-N 3.42Å; A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.47Å
320	V	84.6	Confident	79.7	Confident	87 Å²	87	77.1 Å²	77.1	53%	0.527	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-43.9	176.5	171.8	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.12Å; A316-V320 PolarHBondContact O-N 3.39Å; V317-V320 PolarHBondContact O-N 3.04Å; V320-A322 PolarHBondContact O-N 3.09Å; V320-V323 PolarHBondContact O-N 2.74Å; V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.17Å
321	L	85.3	Confident	80.1	Confident	103 Å²	103	78.7 Å²	78.7	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-39.1	177.2	-70.7	173.8	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 3.44Å; L318-L321 PolarHBondContact O-N 2.93Å; L321-L324 PolarHBondContact O-N 2.9Å; L321-G325 PolarHBondContact O-N 2.96Å
322	A	83.3	Confident	80	Confident	64 Å²	64	80.4 Å²	80.4	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-42	175.8	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.2Å; L318-A322 PolarHBondContact O-N 3.5Å; A319-A322 PolarHBondContact O-N 3.42Å; V320-A322 PolarHBondContact O-N 3.09Å; A322-G325 PolarHBondContact O-N 3.49Å; A322-A326 WeakPolarHBondContact O-CB 3.45Å; A322-A326 PolarHBondContact O-N 3.47Å
323	V	82.9	Confident	79.5	Confident	92 Å²	92	80.3 Å²	80.3	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-64.5	-45.3	176	173.2	0	0	0	0	110.8	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.47Å; V320-V323 PolarHBondContact O-N 2.74Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.31Å; V323-A326 PolarHBondContact O-N 2.85Å; V323-V327 HydrophobicContact CG1-CG2 4.41Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.45Å; V323-V327 PolarHBondContact O-N 2.86Å
324	L	82	Confident	78.9	Confident	101 Å²	101	87 Å²	87	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-42.5	175.9	-73.7	168.5	0	0	0	111.7	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.17Å; L321-L324 PolarHBondContact O-N 2.9Å; L324-V327 PolarHBondContact O-N 3.35Å; L324-M328 WeakPolarHBondContact O-CB 3.4Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.21Å; L324-M328 PolarHBondContact O-N 2.9Å
325	G	82.1	Confident	77.9	Confident	41 Å²	41	95.3 Å²	95.3	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-60.2	-44.6	174.7	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 2.96Å; A322-G325 PolarHBondContact O-N 3.49Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.31Å; G325-M328 PolarHBondContact O-N 2.87Å; G325-A329 WeakPolarHBondContact O-CB 3.35Å; G325-A329 PolarHBondContact O-N 3.42Å
326	A	79.3	Confident	76.3	Confident	55 Å²	55	98.8 Å²	98.8	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-42.4	176.5	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.45Å; A322-A326 PolarHBondContact O-N 3.47Å; V323-A326 PolarHBondContact O-N 2.85Å; A326-A329 PolarHBondContact O-N 3.26Å; A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.45Å; A326-V330 PolarHBondContact O-N 2.95Å
327	V	79.9	Confident	74.8	Confident	80 Å²	80	100.7 Å²	100.7	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-62.5	-45	176.3	171.6	0	0	0	0	110.6	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.41Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.45Å; V323-V327 PolarHBondContact O-N 2.86Å; L324-V327 PolarHBondContact O-N 3.35Å; V327-A329 PolarHBondContact O-N 3.18Å; V327-V330 PolarHBondContact O-N 3.4Å; V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.3Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.39Å; V327-V331 PolarHBondContact O-N 3.19Å
328	M	75.4	Confident	73.2	Confident	119 Å²	119	101.6 Å²	101.6	59%	0.586	58%	0.575	S	S	*	*	H	α-helix	trans	-62.5	-41.2	176.6	-71.9	-63.1	-70.6	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.4Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.21Å; L324-M328 PolarHBondContact O-N 2.9Å; G325-M328 PolarHBondContact O-N 2.87Å; M328-V331 PolarHBondContact O-N 3.23Å; M328-M332 WeakPolarHBondContact O-CB 3.42Å; M328-M332 WeakPolarHBondContact O-CG 3.31Å; M328-M332 PolarHBondContact O-N 3.05Å
329	A	74.2	Confident	71.4	Confident	54 Å²	54	99.2 Å²	99.2	45%	0.446	58%	0.579	S	S	.	*	H	α-helix	trans	-62.7	-43	174.8	0	0	0	0	0	112.1	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.35Å; G325-A329 PolarHBondContact O-N 3.42Å; A326-A329 PolarHBondContact O-N 3.26Å; V327-A329 PolarHBondContact O-N 3.18Å; A329-M332 PolarHBondContact O-N 3.16Å; A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 3.32Å; A329-C333 PolarHBondContact O-SG 3.49Å
330	V	74.6	Confident	69.1	Low	83 Å²	83	100.8 Å²	100.8	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-64.8	-41.8	176	170.5	0	0	0	0	111.5	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.45Å; A326-V330 PolarHBondContact O-N 2.95Å; V327-V330 PolarHBondContact O-N 3.4Å; V330-C333 PolarHBondContact O-N 2.79Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 WeakPolarHBondContact O-CG 3.27Å; V330-R334 PolarHBondContact O-N 2.73Å
331	V	73.6	Confident	66.7	Low	76 Å²	76	106.9 Å²	106.9	46%	0.461	62%	0.619	S	S	.	*	H	α-helix	trans	-65	-40.9	176.7	170.9	0	0	0	0	111	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.3Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.39Å; V327-V331 PolarHBondContact O-N 3.19Å; M328-V331 PolarHBondContact O-N 3.23Å; V331-R334 PolarHBondContact O-N 3.33Å; V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 2.87Å
332	M	71.9	Confident	64.3	Low	133 Å²	133	105.9 Å²	105.9	66%	0.655	63%	0.633	S	S	*	*	H	α-helix	trans	-66.1	-41.1	174.5	-73.7	-174.1	69.7	0	0	112.3	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.42Å; M328-M332 WeakPolarHBondContact O-CG 3.31Å; M328-M332 PolarHBondContact O-N 3.05Å; A329-M332 PolarHBondContact O-N 3.16Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.47Å; M332-R335 PolarHBondContact O-N 3.05Å; M332-K336 WeakPolarHBondContact O-CB 3.36Å; M332-K336 PolarHBondContact O-N 3.18Å
333	C	63.8	Low	61.8	Low	87 Å²	87	107.1 Å²	107.1	59%	0.588	65%	0.652	S	S	*	*	H	α-helix	trans	-64	-35.6	173.4	-78.9	0	0	0	0	112.5	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 3.32Å; A329-C333 PolarHBondContact O-SG 3.49Å; V330-C333 PolarHBondContact O-N 2.79Å; C333-K336 PolarHBondContact O-N 2.66Å; C333-S337 WeakPolarHBondContact O-CB 3.17Å; C333-S337 PolarHBondContact O-N 3.3Å; C333-S337 VanDerWaalsContact O-N 3.09Å; C333-S337 PolarHBondContact O-OG 3.04Å
334	R	62.4	Low	59.5	Low	192 Å²	192	107.9 Å²	107.9	73%	0.725	66%	0.662	S	S	*	*	H	α-helix	trans	-71.9	-35.3	173.9	-80	-172.3	157.5	172.3	-3.4	112.9	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 WeakPolarHBondContact O-CG 3.27Å; V330-R334 PolarHBondContact O-N 2.73Å; V331-R334 PolarHBondContact O-N 3.33Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.47Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 WeakPolarHBondContact CA-OG 3.22Å; R334-S337 PolarHBondContact O-N 3.13Å; R334-S337 PolarHBondContact O-OG 2.77Å
335	R	58.1	Low	57	Low	211 Å²	211	108.5 Å²	108.5	80%	0.796	67%	0.673	S	S	*	*	H	α-helix	trans	-67.6	-31.4	171.1	-107.9	-178.6	169.4	174.7	-2.6	112.6	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 2.87Å; M332-R335 PolarHBondContact O-N 3.05Å; R335-S338 PolarHBondContact O-OG 2.86Å
336	K	51.4	Low	54.7	Low	182 Å²	182	112.2 Å²	112.2	79%	0.791	69%	0.693	S	S	*	*	H	α-helix	trans	-83.3	-16.6	179.2	-163.7	167.2	179.6	177.8	0	113.8	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.36Å; M332-K336 PolarHBondContact O-N 3.18Å; C333-K336 PolarHBondContact O-N 2.66Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	52.3	Low	52.8	Low	95 Å²	95	118.8 Å²	118.8	66%	0.664	71%	0.714	S	S	*	*	S	Bend	trans	-96.1	1.8	177.8	44.8	0	0	0	0	114.7	C333 R334	C333-S337 WeakPolarHBondContact O-CB 3.17Å; C333-S337 PolarHBondContact O-N 3.3Å; C333-S337 VanDerWaalsContact O-N 3.09Å; C333-S337 PolarHBondContact O-OG 3.04Å; R334-S337 WeakPolarHBondContact CA-OG 3.22Å; R334-S337 PolarHBondContact O-N 3.13Å; R334-S337 PolarHBondContact O-OG 2.77Å
338	S	49.9	Very low	50.4	Low	107 Å²	107	119.3 Å²	119.3	75%	0.748	73%	0.727	S	S	*	*	S	Bend	trans	-91.9	15.8	172.1	75.6	0	0	0	0	114.4	R335	R335-S338 PolarHBondContact O-OG 2.86Å
339	G	47.5	Very low	48.3	Very low	66 Å²	66	117.9 Å²	117.9	68%	0.68	73%	0.734	S	S	*	*	S	Bend	trans	-158.7	102.8	175.4	0	0	0	0	0	112.5
340	G	36.7	Very low	46.4	Very low	88 Å²	88	120.7 Å²	120.7	91%	0.907	75%	0.751	S	S	*	*			trans	144.4	112	164.2	0	0	0	0	0	114.7
341	K	34.9	Very low	44.4	Very low	216 Å²	216	122.4 Å²	122.4	94%	0.939	77%	0.766	S	S	*	*			trans	-98.7	140.4	-175.3	-170.6	164.4	-179.6	171.9	0	110.1
342	G	33.9	Very low	42.8	Very low	81 Å²	81	126.7 Å²	126.7	84%	0.835	79%	0.787	S	S	*	*			trans	112.1	135.1	145.4	0	0	0	0	0	118.5
343	G	31.2	Very low	41.2	Very low	90 Å²	90	126.4 Å²	126.4	93%	0.928	80%	0.798	S	S	*	*			trans	128.8	121	147.1	0	0	0	0	0	116
344	S	33.2	Very low	40	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	81%	0.806	S	S	*	*			trans	-103.4	165.5	-171.5	-179.6	0	0	0	0	114
345	C	31.1	Very low	38.8	Very low	113 Å²	113	127.4 Å²	127.4	76%	0.764	82%	0.818	S	S	*	*			trans	65.2	141.1	161.9	-72.3	0	0	0	0	117.1
346	S	32.8	Very low	37.5	Very low	120 Å²	120	120.2 Å²	120.2	84%	0.839	81%	0.809	S	S	*	*			cis	-163.8	171.2	41.2	-34.4	0	0	0	0	112.8
347	Q	38.9	Very low	36.8	Very low	192 Å²	192	117.2 Å²	117.2	90%	0.897	81%	0.811	S	S	*	*			trans	-79.1	149.2	-178.7	-162.7	175.3	10.8	0	0	114.4
348	A	30.7	Very low	36	Very low	92 Å²	92	120 Å²	120	76%	0.76	82%	0.819	S	S	*	*			trans	-168.8	110.8	150.2	0	0	0	0	0	108.1
349	A	32	Very low	35.1	Very low	88 Å²	88	123.1 Å²	123.1	73%	0.727	82%	0.822	S	S	*	*				59.9	94.5	83.5	0	0	0	0	0	112
350	S	32.3	Very low	34.6	Very low	113 Å²	113	124.9 Å²	124.9	79%	0.79	82%	0.823	S	S	*	*				79.8	120	90.7	71.8	0	0	0	0	114.9
351	S	34.4	Very low	34.5	Very low	119 Å²	119	128.6 Å²	128.6	83%	0.832	82%	0.822	S	S	*	*				-175.2	124	125.9	45.3	0	0	0	0	112.1
352	N	38.5	Very low	34.6	Very low	166 Å²	166	126.6 Å²	126.6	89%	0.888	82%	0.819	S	S	*	*			trans	-78	151.3	155.3	-82.6	-27	0	0	0	108.9
353	S	39.2	Very low	34.6	Very low	128 Å²	128	126.5 Å²	126.5	90%	0.895	81%	0.81	S	S	*	*			trans	-163.8	136.5	137.9	31.5	0	0	0	0	111.7
354	A	39.2	Very low	34.6	Very low	91 Å²	91	128.3 Å²	128.3	75%	0.752	81%	0.807	S	S	*	*			trans	-108	151.1	175.9	0	0	0	0	0	109.6
355	Q	35.9	Very low	34.7	Very low	208 Å²	208	136.3 Å²	136.3	97%	0.972	83%	0.829	S	S	*	*			trans	163.3	136.6	151.5	-101	162.7	-21.1	0	0	107.3
356	G	31	Very low	34.9	Very low	60 Å²	60	137.5 Å²	137.5	62%	0.619	83%	0.832	S	S	*	*			cis	159.3	154.1	4.5	0	0	0	0	0	108.4
357	S	36.4	Very low	35	Very low	120 Å²	120	138.4 Å²	138.4	84%	0.839	83%	0.831	S	S	*	*			trans	61.5	144.6	156.3	43.5	0	0	0	0	118.3
358	D	36.1	Very low	34.8	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	83%	0.828	S	S	*	*			cis	-168.1	174.5	-1.2	-132.1	-30.2	0	0	0	108
359	E	32.1	Very low	35	Very low	173 Å²	173	138 Å²	138	81%	0.808	83%	0.832	S	S	*	*			trans	89.8	125	150.7	-85.5	-160.7	138.1	0	0	124.9
360	S	35.8	Very low	35.2	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	84%	0.838	S	S	*	*			trans	99.9	93.2	137	74.1	0	0	0	0	120.1
361	L	35.1	Very low	35.4	Very low	166 Å²	166	143 Å²	143	87%	0.869	84%	0.842	S	S	*	*				-3.4	126.3	128.5	-73.3	157.6	0	0	0	117
362	I	37.8	Very low	35.5	Very low	174 Å²	174	144.7 Å²	144.7	89%	0.892	84%	0.842	S	S	*	*			trans	-144.1	131.1	130.2	-63.5	-170	0	0	0	109
363	A	33.4	Very low	35.3	Very low	78 Å²	78	143.1 Å²	143.1	65%	0.645	84%	0.839	S	S	*	*			trans	-101	160.8	172.7	0	0	0	0	0	111.8
364	C	29.9	Very low	34.9	Very low	128 Å²	128	144.3 Å²	144.3	87%	0.865	83%	0.834	S	S	*	*			trans	69.6	121.9	151	-68.9	0	0	0	0	120.3
365	K	36.6	Very low	34.5	Very low	278 Å²	278	149.2 Å²	149.2	100%	1.209	84%	0.841	S	S	*	*				-149.8	0	84.2	-139.5	175.6	-170.7	175.6	0	111.6

Retrieved 365 of 365 residues in 1596 ms (Link to these results)

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