A0A090KFV0_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KFV0, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	40.6	Very low	243 Å²	243	153.5 Å²	153.5	100%	1.197	78%	0.778	S	S	*	*				0	135.3	0	-70.6	145.3	166.8	0	0	108.2
2	R	32.2	Very low	40.5	Very low	254 Å²	254	152.3 Å²	152.3	96%	0.958	77%	0.774	S	S	*	*			trans	-88.7	120.4	167.9	-84.4	-178.6	170.1	164.3	-3.2	108	M4	R2-M4 PolarHBondContact O-N 3.48Å
3	V	35.6	Very low	40.2	Very low	142 Å²	142	149.8 Å²	149.8	86%	0.861	76%	0.763	S	S	*	*			trans	-74.4	117.7	171.4	178.9	0	0	0	0	107.6	A5	V3-A5 PolarHBondContact O-N 2.97Å
4	M	37.7	Very low	40.3	Very low	175 Å²	175	144.1 Å²	144.1	86%	0.862	74%	0.743	S	S	*	*			trans	-90.5	100.7	-179.1	-171.8	167.2	68.8	0	0	109	R2	R2-M4 PolarHBondContact O-N 3.48Å
5	A	40.7	Very low	40.1	Very low	77 Å²	77	137.5 Å²	137.5	64%	0.636	73%	0.725	S	S	*	*			trans	-61.9	139.2	176.7	0	0	0	0	0	110.8	V3 R7	V3-A5 PolarHBondContact O-N 2.97Å; A5-R7 PolarHBondContact O-N 3.36Å
6	P	39.9	Very low	39.8	Very low	93 Å²	93	132.8 Å²	132.8	60%	0.604	71%	0.712	S	S	*	*			trans	-71	114.3	-174.9	27.8	-34.1	0	0	0	111.4	T8 L9	P6-T8 PolarHBondContact O-N 2.91Å; P6-T8 VanDerWaalsContact O-N 3.08Å; P6-L9 PolarHBondContact O-N 3.45Å
7	R	48.4	Very low	39.5	Very low	226 Å²	226	133.1 Å²	133.1	85%	0.853	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-15.2	177.6	-84.8	178.8	161	151.8	-7.2	114.4	A5 L9	A5-R7 PolarHBondContact O-N 3.36Å; R7-L9 VanDerWaalsContact C-N 3.3Å; R7-L9 PolarHBondContact O-N 3.38Å
8	T	46.7	Very low	39.4	Very low	106 Å²	106	130.4 Å²	130.4	65%	0.65	71%	0.712	S	S	*	*	H	α-helix	trans	-68.2	-20.3	-179.2	35.5	0	0	0	0	114.7	P6	P6-T8 PolarHBondContact O-N 2.91Å; P6-T8 VanDerWaalsContact O-N 3.08Å
9	L	40.7	Very low	39.3	Very low	123 Å²	123	130.8 Å²	130.8	64%	0.644	71%	0.712	S	S	*	*	H	α-helix	trans	-77.4	-20.9	-178.8	-134.4	82.7	0	0	0	114.1	P6 R7	P6-L9 PolarHBondContact O-N 3.45Å; R7-L9 VanDerWaalsContact C-N 3.3Å; R7-L9 PolarHBondContact O-N 3.38Å
10	I	43.3	Very low	39.1	Very low	118 Å²	118	129.2 Å²	129.2	61%	0.605	71%	0.707	S	S	*	*	H	α-helix	trans	-78	-37	-173.5	-64.5	175.4	0	0	0	111.5	L12 L13 S14	I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.39Å; I10-L13 PolarHBondContact O-N 3.2Å; I10-S14 PolarHBondContact O-N 3.32Å; I10-S14 PolarHBondContact O-OG 3.48Å
11	L	44.6	Very low	39.1	Very low	132 Å²	132	131.7 Å²	131.7	69%	0.691	71%	0.714	S	S	*	*	H	α-helix	trans	-66.7	-29.3	-177.5	-71.8	166.9	0	0	0	113.4	L13 S14 G15	L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 2.91Å; L11-S14 WeakPolarHBondContact O-CB 3.31Å; L11-S14 PolarHBondContact O-N 3.3Å; L11-G15 PolarHBondContact O-N 3.38Å
12	L	39.9	Very low	39.3	Very low	139 Å²	139	125.6 Å²	125.6	73%	0.728	69%	0.69	S	S	*	*	H	α-helix	trans	-69.6	-25	176.5	-71.8	170.3	0	0	0	112.9	I10	I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.39Å
13	L	36.8	Very low	40.3	Very low	119 Å²	119	120 Å²	120	62%	0.623	67%	0.669	S	S	*	*	H	α-helix	trans	-81.6	-26.4	173.6	-71.9	165.2	0	0	0	112.2	I10 L11 L17	I10-L13 PolarHBondContact O-N 3.2Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 2.91Å; L13-L17 PolarHBondContact O-N 2.92Å
14	S	41.6	Very low	41.2	Very low	70 Å²	70	115.3 Å²	115.3	49%	0.49	65%	0.646	S	S	.	*	H	α-helix	trans	-66.4	-39.2	175.1	-53.2	0	0	0	0	112.7	I10 L11	I10-S14 PolarHBondContact O-N 3.32Å; I10-S14 PolarHBondContact O-OG 3.48Å; L11-S14 WeakPolarHBondContact O-CB 3.31Å; L11-S14 PolarHBondContact O-N 3.3Å
15	G	37.3	Very low	42.9	Very low	46 Å²	46	109.4 Å²	109.4	47%	0.474	62%	0.621	S	S	.	*	H	α-helix	trans	-70.5	-32.1	179.2	0	0	0	0	0	114.1	L11	L11-G15 PolarHBondContact O-N 3.38Å
16	A	34.9	Very low	45.2	Very low	62 Å²	62	109.4 Å²	109.4	51%	0.512	62%	0.616	S	S	.	*	H	α-helix	trans	-74.5	-32.2	-179.5	0	0	0	0	0	113.1	A18 L19	A16-A18 VanDerWaalsContact C-N 3.28Å; A16-A18 PolarHBondContact O-N 3.36Å; A16-L19 PolarHBondContact O-N 2.94Å
17	L	35	Very low	47.8	Very low	137 Å²	137	106.4 Å²	106.4	72%	0.717	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-13.5	-179.4	-73.4	168.6	0	0	0	113.9	L13	L13-L17 PolarHBondContact O-N 2.92Å
18	A	38.1	Very low	50.2	Low	85 Å²	85	96.8 Å²	96.8	70%	0.702	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-4	176.5	0	0	0	0	0	113.9	A16	A16-A18 VanDerWaalsContact C-N 3.28Å; A16-A18 PolarHBondContact O-N 3.36Å
19	L	37	Very low	52.7	Low	139 Å²	139	91.7 Å²	91.7	73%	0.728	53%	0.53	S	S	*	.	S	Bend	trans	-113.7	10.2	-176.4	-88.6	162	0	0	0	113.5	A16	A16-L19 PolarHBondContact O-N 2.94Å
20	T	35.3	Very low	55.4	Low	97 Å²	97	88.1 Å²	88.1	60%	0.595	51%	0.508	S	S	*	.			trans	-135.8	50.8	173.7	67.3	0	0	0	0	111.8	T22	T20-T22 PolarHBondContact O-N 3.29Å; T20-T22 VanDerWaalsContact O-N 3.07Å
21	E	39.7	Very low	58	Low	183 Å²	183	82.8 Å²	82.8	86%	0.855	48%	0.48	S	S	*	.			trans	-64.3	99.3	138.8	-81.9	-167.9	143	0	0	106.1	W23	E21-W23 PolarHBondContact O-N 2.88Å
22	T	40.6	Very low	60.6	Low	115 Å²	115	80.6 Å²	80.6	71%	0.706	47%	0.466	S	S	*	.			trans	-60	121.3	166.7	49	0	0	0	0	106.9	T20 A24	T20-T22 PolarHBondContact O-N 3.29Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T22-A24 PolarHBondContact O-N 3.46Å
23	W	52.8	Low	63.4	Low	135 Å²	135	74.2 Å²	74.2	51%	0.511	43%	0.432	S	S	.	.			trans	-60.4	82.5	169.6	-68.8	91.8	0	0	0	109.2	E21 H287 E288	E21-W23 PolarHBondContact O-N 2.88Å; W23-H287 VanDerWaalsContact CH2-C 3.43Å; W23-H287 VanDerWaalsContact CZ2-C 3.42Å; W23-H287 WeakPolarHBondContact CZ2-O 3.48Å; W23-E288 HydrophobicContact CB-CG 4.3Å; W23-E288 HydrophobicContact CD2-CB 4.1Å; W23-E288 HydrophobicContact CD2-CG 4.2Å; W23-E288 VanDerWaalsContact CE3-CA 3.46Å; W23-E288 HydrophobicContact CE3-CB 3.42Å; W23-E288 VanDerWaalsContact CE3-CB 3.42Å; W23-E288 HydrophobicContact CE3-CG 3.7Å; W23-E288 HydrophobicContact CG-CG 4.49Å; W23-E288 HydrophobicContact CH2-CB 4.38Å; W23-E288 VanDerWaalsContact CH2-N 3.33Å; W23-E288 HydrophobicContact CZ3-CB 3.59Å; W23-E288 HydrophobicContact CZ3-CG 4.37Å
24	A	53.5	Low	66.4	Low	45 Å²	45	70.7 Å²	70.7	37%	0.372	42%	0.415	S	S	.	.			trans	-102.2	96	-179.2	0	0	0	0	0	104.8	T22 S26 P129	T22-A24 PolarHBondContact O-N 3.46Å; A24-S26 PolarHBondContact O-N 3.35Å; A24-P129 HydrophobicContact CB-CB 3.9Å; A24-P129 HydrophobicContact CB-CG 3.38Å; A24-P129 WeakPolarHBondContact O-CG 3.42Å
25	C	73.2	Confident	69.1	Low	51 Å²	51	67.4 Å²	67.4	35%	0.345	39%	0.392	S	S	.	.			trans	-50.6	108	-166.9	-52.2	0	0	0	0	111.5	E288	C25-E288 PolarHBondContact SG-OE1 2.89Å
26	S	90.5	Very high	72	Confident	76 Å²	76	67.3 Å²	67.3	53%	0.531	38%	0.383	S	S	.	.			trans	-88.1	134.5	166.7	57	0	0	0	0	108.9	A24 L127	A24-S26 PolarHBondContact O-N 3.35Å; S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å
27	H	95	Very high	75	Confident	31 Å²	31	65.1 Å²	65.1	14%	0.144	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.5	-178.9	-68.7	-74.1	0	0	0	111.3	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.3Å; H27-D53 WeakPolarHBondContact CA-OD1 3.32Å; H27-D53 IonicContact CE1-OD2 2.66Å; H27-D53 IonicContact CG-OD2 2.89Å; H27-D53 IonicContact ND1-OD1 3.54Å; H27-D53 IonicContact ND1-OD2 3.18Å; H27-D53 PolarHBondContact ND1-OD2 3.35Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-L127 PolarHBondContact N-O 3.3Å; H27-L127 PolarHBondContact O-N 3.43Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.9Å; H27-L196 HydrophobicContact CB-CG 4.36Å; H27-L196 VanDerWaalsContact CG-CD2 3.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å
28	S	97.4	Very high	77.9	Confident	23 Å²	23	62.3 Å²	62.3	16%	0.161	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150	-176.2	64.4	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 2.86Å; S28-D53 PolarHBondContact O-N 3.4Å; S28-D53 PolarHBondContact OG-OD1 3.49Å; S28-C125 CarbonylContact C-O 3.58Å; S28-C125 WeakPolarHBondContact CA-O 3.19Å; S28-D126 WeakPolarHBondContact CB-OD1 3.37Å
29	M	98.6	Very high	80.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.6	166.3	-179.6	176.1	59.3	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CD2 4.5Å; M29-Y31 HydrophobicContact CG-CE2 3.92Å; M29-Y31 HydrophobicContact SD-CE2 3.84Å; M29-Y51 WeakPolarHBondContact CA-O 3.24Å; M29-V52 HydrophobicContact CB-CG2 4.41Å; M29-V52 HydrophobicContact CG-CG2 4.27Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.37Å; M29-G124 WeakPolarHBondContact O-CA 3.3Å; M29-C125 PolarHBondContact N-O 3.45Å; M29-C125 PolarHBondContact O-N 2.9Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.36Å; M29-W191 HydrophobicContact CE-CB 4.15Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 3.99Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å
30	R	98.6	Very high	83	Confident	47 Å²	47	58.2 Å²	58.2	18%	0.177	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.4	-176.2	-52.5	-60.9	-173.2	75.3	5.7	110.1	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-Y51 PolarHBondContact N-O 3.46Å; R30-Y51 PolarHBondContact O-N 2.88Å; R30-D126 IonicContact CZ-OD1 2.77Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 3.1Å; R30-D126 IonicContact NE-OD1 2.98Å; R30-D126 PolarHBondContact NE-OD1 3.36Å; R30-D126 IonicContact NH2-OD1 3.2Å; R30-D126 PolarHBondContact NH2-OD1 3.43Å; R30-D126 IonicContact NH2-OD2 2.71Å; R30-D126 PolarHBondContact NH2-OD2 3.27Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.49Å; R30-Y137 PolarHBondContact NH2-OH 2.78Å
31	Y	98.8	Very high	85.7	Confident	7 Å²	7	64 Å²	64	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.9	169.3	-68.9	-100.6	0	0	0	108.8	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CD2 4.5Å; M29-Y31 HydrophobicContact CG-CE2 3.92Å; M29-Y31 HydrophobicContact SD-CE2 3.84Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; Y31-F57 HydrophobicContact CE1-CZ 4.3Å; Y31-F57 AromaticContact CZ-CZ 3.89Å; Y31-V58 HydrophobicContact CE1-CG2 4.12Å; Y31-M122 WeakPolarHBondContact O-CA 3.4Å; Y31-Y123 HydrophobicContact CD2-CD2 4.14Å; Y31-Y123 AromaticContact CD2-CE2 3.4Å; Y31-Y123 HydrophobicContact CD2-CE2 3.4Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.4Å; Y31-Y123 AromaticContact CD2-CZ 3.87Å; Y31-Y123 HydrophobicContact CE2-CE2 4.17Å; Y31-Y123 HydrophobicContact CG-CE1 4.4Å; Y31-Y123 AromaticContact CG-CE2 3.65Å; Y31-Y123 HydrophobicContact CG-CE2 3.65Å; Y31-Y123 AromaticContact CG-CZ 3.59Å; Y31-Y123 PolarHBondContact N-O 3.08Å; Y31-Y123 PolarHBondContact O-N 3.38Å
32	F	98.8	Very high	88.2	Confident	86 Å²	86	58.2 Å²	58.2	38%	0.377	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.5	177.4	-56.1	-97.3	0	0	0	108.9	R30 S48 V49 Y51 W121 M122	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-S48 WeakPolarHBondContact O-CA 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 3.5Å; F32-V49 PolarHBondContact O-N 3.35Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; F32-W121 WeakPolarHBondContact CA-O 3.49Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.29Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CG-CG 4.33Å; F32-M122 HydrophobicContact CZ-CG 4.07Å
33	D	98.8	Very high	90.7	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.9	177.1	-74.4	-1.1	0	0	0	109.7	F46 V47 S48 Q94 Q120 W121	D33-F46 HydrophobicContact CB-CE2 3.84Å; D33-F46 HydrophobicContact CB-CZ 4.06Å; D33-F46 WeakPolarHBondContact OD2-CZ 3.32Å; D33-V47 CarbonylContact C-O 3.55Å; D33-V47 WeakPolarHBondContact CA-O 3.48Å; D33-S48 WeakPolarHBondContact OD1-CB 3.33Å; D33-S48 PolarHBondContact OD1-OG 3.08Å; D33-Q94 WeakPolarHBondContact OD2-CG 3.16Å; D33-Q120 WeakPolarHBondContact O-CA 3.39Å; D33-W121 HydrophobicContact CB-CB 4.26Å; D33-W121 HydrophobicContact CB-CE3 4.28Å; D33-W121 PolarHBondContact N-O 2.88Å; D33-W121 PolarHBondContact O-N 2.81Å
34	T	98.9	Very high	92.9	Very high	45 Å²	45	52 Å²	52	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	116.4	179.2	-61	0	0	0	0	110.1	V36 F46 V47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.95Å; T34-F46 WeakPolarHBondContact O-CA 3.38Å; T34-V47 PolarHBondContact N-O 3Å; T34-V47 PolarHBondContact O-N 2.96Å; T34-T118 HydrophobicContact CG2-CG2 4.22Å; T34-L119 WeakPolarHBondContact CA-O 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å
35	A	98.7	Very high	95	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.1	176.3	0	0	0	0	0	110.7	R45 F46 D98 L102 L119	A35-R45 CarbonylContact C-O 3.44Å; A35-R45 VanDerWaalsContact CA-O 3.26Å; A35-R45 WeakPolarHBondContact CA-O 3.48Å; A35-F46 HydrophobicContact CB-CD2 4.35Å; A35-D98 HydrophobicContact CB-CB 3.61Å; A35-L102 HydrophobicContact CB-CD1 3.93Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.63Å; A35-L119 PolarHBondContact O-N 3.47Å
36	V	98.5	Very high	96.2	Very high	44 Å²	44	51.4 Å²	51.4	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	-178.5	-174.6	0	0	0	0	109.9	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.95Å; V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.31Å; V36-P44 WeakPolarHBondContact O-CB 3.44Å; V36-R45 PolarHBondContact N-O 3.22Å; V36-R45 PolarHBondContact O-N 2.93Å; V36-H117 CarbonylContact C-O 3.54Å; V36-H117 WeakPolarHBondContact CA-O 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å
37	S	97.8	Very high	96.6	Very high	16 Å²	16	49.1 Å²	49.1	11%	0.112	27%	0.27	C	S	.	.			trans	-67.9	152.8	176.6	85.4	0	0	0	0	111.7	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.3Å; S37-S116 PolarHBondContact O-OG 3.12Å; S37-H117 PolarHBondContact N-O 2.87Å; S37-H117 PolarHBondContact OG-N 3.35Å
38	R	95.8	Very high	96.8	Very high	78 Å²	78	47.6 Å²	47.6	29%	0.294	26%	0.263	S	S	.	.			trans	-142.2	68.2	-170.4	-72.9	174	160.5	176.8	-6.7	112.4	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.01Å; R38-R41 HydrophobicContact CB-CB 4.2Å; R38-R41 PolarHBondContact O-N 3.47Å; R38-E43 WeakPolarHBondContact CD-O 3.45Å; R38-D63 IonicContact CZ-OD1 3.59Å; R38-D63 IonicContact CZ-OD2 3.12Å; R38-D63 VanDerWaalsContact NH1-CG 3.29Å; R38-D63 IonicContact NH1-OD1 3.38Å; R38-D63 PolarHBondContact NH1-OD1 2.88Å; R38-D63 IonicContact NH1-OD2 3.86Å; R38-D63 PolarHBondContact NH1-OD2 3.32Å; R38-D63 IonicContact NH2-OD2 2.78Å; R38-D63 PolarHBondContact NH2-OD2 2.97Å
39	P	91.8	Very high	96.8	Very high	47 Å²	47	47.7 Å²	47.7	31%	0.305	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	131	-179.5	-27.6	36.5	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.41Å; P39-R41 VanDerWaalsContact O-N 3.12Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.35Å; P39-G115 WeakPolarHBondContact CG-O 3.33Å
40	G	90.5	Very high	96.9	Very high	92 Å²	92	47.7 Å²	47.7	95%	0.948	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	1.8	-177.2	0	0	0	0	0	116.6	R38	R38-G40 PolarHBondContact O-N 3.01Å
41	R	92.5	Very high	96.9	Very high	218 Å²	218	48.9 Å²	48.9	82%	0.823	27%	0.268	S	S	*	.	S	Bend	trans	-125.1	26.1	-175.7	-59.2	-175.9	-175.8	-166.3	1.7	113.9	R38 P39	R38-R41 HydrophobicContact CB-CB 4.2Å; R38-R41 PolarHBondContact O-N 3.47Å; P39-R41 PolarHBondContact O-N 3.41Å; P39-R41 VanDerWaalsContact O-N 3.12Å
42	G	91.1	Very high	96.8	Very high	62 Å²	62	48.6 Å²	48.6	64%	0.639	27%	0.266	S	S	*	.	S	Bend	trans	96.9	-153.2	178.8	0	0	0	0	0	113.2
43	E	94.3	Very high	96.7	Very high	93 Å²	93	45.8 Å²	45.8	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	-81.1	162	-179.8	-65.4	-63.1	173.5	0	0	112.1	R38 R45 R99 R103	R38-E43 WeakPolarHBondContact CD-O 3.45Å; E43-R45 PolarHBondContact O-N 3.31Å; E43-R99 IonicContact OE1-CZ 3.38Å; E43-R99 IonicContact OE1-NE 3.11Å; E43-R99 PolarHBondContact OE1-NE 3.16Å; E43-R99 IonicContact OE1-NH2 2.83Å; E43-R99 PolarHBondContact OE1-NH2 2.73Å; E43-R99 IonicContact OE2-CZ 3.35Å; E43-R99 IonicContact OE2-NE 3.71Å; E43-R99 PolarHBondContact OE2-NE 3.36Å; E43-R99 IonicContact OE2-NH2 2.76Å; E43-R103 IonicContact OE2-NH2 2.67Å
44	P	97.1	Very high	96.5	Very high	27 Å²	27	48.5 Å²	48.5	18%	0.175	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-56.1	136.8	172	-24.2	35	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.31Å; V36-P44 WeakPolarHBondContact O-CB 3.44Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.35Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.79Å
45	R	98.3	Very high	96.4	Very high	80 Å²	80	47.7 Å²	47.7	30%	0.302	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.6	168.8	-176.6	-174.9	-169.3	171.9	5.9	108.5	A35 V36 E43 V47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.44Å; A35-R45 VanDerWaalsContact CA-O 3.26Å; A35-R45 WeakPolarHBondContact CA-O 3.48Å; V36-R45 PolarHBondContact N-O 3.22Å; V36-R45 PolarHBondContact O-N 2.93Å; E43-R45 PolarHBondContact O-N 3.31Å; R45-V47 HydrophobicContact CG-CG2 4.06Å; R45-D61 IonicContact CZ-OD1 3.87Å; R45-D61 IonicContact CZ-OD2 3.81Å; R45-D61 IonicContact NE-OD1 2.8Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 2.76Å; R45-D61 VanDerWaalsContact NH2-CG 3.29Å; R45-D61 IonicContact NH2-OD1 3.23Å; R45-D61 PolarHBondContact NH2-OD1 3.32Å; R45-D61 VanDerWaalsContact NH2-OD1 3.11Å; R45-D61 IonicContact NH2-OD2 3.86Å; R45-D61 PolarHBondContact NH2-OD2 3.46Å; R45-S62 VanDerWaalsContact CA-OG 3.32Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-S62 WeakPolarHBondContact CG-OG 3.39Å; R45-D63 WeakPolarHBondContact CD-OD2 3.4Å; R45-D63 WeakPolarHBondContact CG-OD1 3.39Å; R45-D63 IonicContact CZ-OD2 2.73Å; R45-D63 IonicContact NE-OD2 2.75Å
46	F	98.7	Very high	96.3	Very high	3 Å²	3	50 Å²	50	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.1	168.9	176.4	-92.4	0	0	0	109.4	D33 T34 A35 F60 S62 Y91 Q94 A95	D33-F46 HydrophobicContact CB-CE2 3.84Å; D33-F46 HydrophobicContact CB-CZ 4.06Å; D33-F46 WeakPolarHBondContact OD2-CZ 3.32Å; T34-F46 WeakPolarHBondContact O-CA 3.38Å; A35-F46 HydrophobicContact CB-CD2 4.35Å; F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; F46-S62 PolarHBondContact N-OG 3.4Å; F46-S62 WeakPolarHBondContact O-CB 3.38Å; F46-S62 PolarHBondContact O-N 2.91Å; F46-S62 PolarHBondContact O-OG 2.96Å; F46-Y91 HydrophobicContact CE1-CD1 4.45Å; F46-Q94 HydrophobicContact CE2-CB 4.15Å; F46-Q94 HydrophobicContact CE2-CG 3.64Å; F46-Q94 HydrophobicContact CZ-CB 3.9Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; F46-A95 HydrophobicContact CB-CB 3.6Å; F46-A95 HydrophobicContact CD1-CB 3.8Å; F46-A95 HydrophobicContact CD2-CB 4.2Å; F46-A95 HydrophobicContact CG-CB 3.6Å
47	V	98.8	Very high	96.3	Very high	27 Å²	27	47.9 Å²	47.9	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.8	169.9	-178.9	0	0	0	0	107.7	D33 T34 R45 V49 F60	D33-V47 CarbonylContact C-O 3.55Å; D33-V47 WeakPolarHBondContact CA-O 3.48Å; T34-V47 PolarHBondContact N-O 3Å; T34-V47 PolarHBondContact O-N 2.96Å; R45-V47 HydrophobicContact CG-CG2 4.06Å; V47-V49 HydrophobicContact CG1-CG1 4.41Å; V47-F60 WeakPolarHBondContact CA-O 3.4Å
48	S	98.8	Very high	96.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.9	170.1	-177.9	0	0	0	0	109.3	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.38Å; D33-S48 WeakPolarHBondContact OD1-CB 3.33Å; D33-S48 PolarHBondContact OD1-OG 3.08Å; S48-R59 CarbonylContact O-C 3.56Å; S48-R59 WeakPolarHBondContact O-CA 3.4Å; S48-F60 PolarHBondContact N-O 2.84Å; S48-F60 PolarHBondContact O-N 3.46Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.43Å
49	V	98.8	Very high	96.5	Very high	25 Å²	25	46.6 Å²	46.6	15%	0.152	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.4	171.6	-64	0	0	0	0	110.2	Y31 F32 V47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 3.5Å; F32-V49 PolarHBondContact O-N 3.35Å; V47-V49 HydrophobicContact CG1-CG1 4.41Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CG 4.28Å
50	G	98.6	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.1	177.3	0	0	0	0	0	111	Q56 F57 V58	G50-Q56 WeakPolarHBondContact O-CG 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.2Å; G50-F57 PolarHBondContact O-N 2.91Å; G50-V58 PolarHBondContact N-O 3.43Å; G50-V58 PolarHBondContact O-N 2.9Å
51	Y	98.6	Very high	97.2	Very high	72 Å²	72	41 Å²	41	28%	0.282	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.3	-179.4	-78.2	-103.4	0	0	0	110.7	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.24Å; R30-Y51 PolarHBondContact N-O 3.46Å; R30-Y51 PolarHBondContact O-N 2.88Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-Q56 HydrophobicContact CD1-CB 4.09Å; Y51-Q56 HydrophobicContact CD2-CB 4.47Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.64Å; Y51-Q56 HydrophobicContact CE1-CG 4.34Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.1	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.7	157.5	174.4	0	0	0	0	105.9	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 3.34Å; M29-V52 HydrophobicContact CB-CG2 4.41Å; M29-V52 HydrophobicContact CG-CG2 4.27Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 3.43Å; V52-T55 WeakPolarHBondContact O-CA 3.33Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 2.93Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.89Å; V52-W75 HydrophobicContact CB-CH2 4.16Å; V52-W75 HydrophobicContact CB-CZ2 4.29Å; V52-W75 HydrophobicContact CG2-CH2 3.8Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.83Å; V52-Y195 HydrophobicContact CG2-CG 4.39Å; V52-L196 HydrophobicContact CG1-CD2 4.18Å; V52-L203 HydrophobicContact CB-CD1 4.38Å; V52-L203 HydrophobicContact CB-CD2 4.33Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.14Å
53	D	95.6	Very high	97.7	Very high	28 Å²	28	33 Å²	33	15%	0.15	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-133.2	-164.5	-51.8	-43.3	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.3Å; H27-D53 WeakPolarHBondContact CA-OD1 3.32Å; H27-D53 IonicContact CE1-OD2 2.66Å; H27-D53 IonicContact CG-OD2 2.89Å; H27-D53 IonicContact ND1-OD1 3.54Å; H27-D53 IonicContact ND1-OD2 3.18Å; H27-D53 PolarHBondContact ND1-OD2 3.35Å; S28-D53 PolarHBondContact N-OD1 2.86Å; S28-D53 PolarHBondContact O-N 3.4Å; S28-D53 PolarHBondContact OG-OD1 3.49Å; D53-T55 PolarHBondContact O-N 3.4Å
54	D	95.5	Very high	97.9	Very high	60 Å²	60	30.3 Å²	30.3	32%	0.321	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.3	177	-63	-64	0	0	0	114.1	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 3.95Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.28Å; D54-A235 HydrophobicContact CB-CB 4.39Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.46Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3Å; D54-F265 HydrophobicContact CB-CE2 3.69Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.3	Very high	97.9	Very high	28 Å²	28	34.7 Å²	34.7	17%	0.172	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.5	-175.1	-64.5	0	0	0	0	111.9	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; V52-T55 PolarHBondContact N-O 3.43Å; V52-T55 WeakPolarHBondContact O-CA 3.33Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 2.93Å; D53-T55 PolarHBondContact O-N 3.4Å; T55-F57 PolarHBondContact O-N 2.82Å; T55-A73 HydrophobicContact CG2-CB 4.19Å; T55-W75 HydrophobicContact CG2-CZ2 4.34Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.35Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å
56	Q	97.4	Very high	97.7	Very high	49 Å²	49	34.9 Å²	34.9	23%	0.229	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.3	171.3	-165.7	-173.7	-1.2	0	0	110.6	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; G50-Q56 WeakPolarHBondContact O-CG 3.41Å; Y51-Q56 HydrophobicContact CD1-CB 4.09Å; Y51-Q56 HydrophobicContact CD2-CB 4.47Å; Y51-Q56 HydrophobicContact CD2-CG 4.24Å; Y51-Q56 HydrophobicContact CE1-CB 3.64Å; Y51-Q56 HydrophobicContact CE1-CG 4.34Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.41Å; Q56-R72 CarbonylContact O-C 3.56Å; Q56-R72 WeakPolarHBondContact O-CB 3.49Å
57	F	98	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-23.4	179.9	76.4	-81.8	0	0	0	114.5	M29 Y31 G50 V52 T55 P71 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 HydrophobicContact CE1-CZ 4.3Å; Y31-F57 AromaticContact CZ-CZ 3.89Å; G50-F57 WeakPolarHBondContact O-CD1 3.2Å; G50-F57 PolarHBondContact O-N 2.91Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.89Å; T55-F57 PolarHBondContact O-N 2.82Å; F57-P71 CarbonylContact O-C 3.49Å; F57-R72 PolarHBondContact O-N 3.22Å; F57-A73 HydrophobicContact CB-CB 4.11Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.45Å; F57-W75 VanDerWaalsContact CB-CZ2 3.45Å; F57-W75 HydrophobicContact CB-CZ3 3.83Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 AromaticContact CD2-CZ3 3.9Å; F57-W75 HydrophobicContact CD2-CZ3 3.9Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 AromaticContact CG-CZ3 3.97Å; F57-W75 HydrophobicContact CG-CZ3 3.97Å; F57-V76 HydrophobicContact CB-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.16Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.45Å; F57-Y195 HydrophobicContact CD2-CE2 4.28Å; F57-Y195 HydrophobicContact CE1-CE2 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.08Å; F57-Y195 HydrophobicContact CE2-CE1 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.42Å; F57-Y195 HydrophobicContact CE2-CE2 3.42Å; F57-Y195 VanDerWaalsContact CE2-CE2 3.42Å; F57-Y195 AromaticContact CE2-CZ 3.66Å; F57-Y195 HydrophobicContact CZ-CD2 4.12Å; F57-Y195 AromaticContact CZ-CE2 3.55Å; F57-Y195 HydrophobicContact CZ-CE2 3.55Å
58	V	98.3	Very high	97.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.7	175.4	-73.4	0	0	0	0	113.7	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 4.12Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 3.43Å; G50-V58 PolarHBondContact O-N 2.9Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; V58-E70 WeakPolarHBondContact CA-O 3.4Å; V58-W84 HydrophobicContact CG1-CH2 3.87Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.44Å
59	R	98.4	Very high	97.6	Very high	68 Å²	68	42.4 Å²	42.4	26%	0.257	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.4	168.5	-175.4	179.1	179	94	6.6	110.8	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.56Å; S48-R59 WeakPolarHBondContact O-CA 3.4Å; V49-R59 HydrophobicContact CG1-CG 4.28Å; R59-D61 IonicContact CZ-OD2 2.68Å; R59-D61 IonicContact NE-OD2 2.8Å; R59-D61 IonicContact NH2-OD2 3.22Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; R59-E70 PolarHBondContact N-O 3.21Å; R59-E70 PolarHBondContact O-N 3.02Å; R59-R72 HydrophobicContact CB-CG 3.98Å
60	F	98.8	Very high	97.5	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.4	158.9	179.6	-84.2	0	0	0	109.5	F46 V47 S48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; V47-F60 WeakPolarHBondContact CA-O 3.4Å; S48-F60 PolarHBondContact N-O 2.84Å; S48-F60 PolarHBondContact O-N 3.46Å; F60-P67 HydrophobicContact CE1-CB 4.41Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.6Å; F60-R68 VanDerWaalsContact CD2-C 3.44Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.13Å; F60-Y91 HydrophobicContact CB-CD2 3.63Å; F60-Y91 HydrophobicContact CB-CE2 4.1Å; F60-Y91 HydrophobicContact CB-CG 3.66Å; F60-Y91 HydrophobicContact CD1-CG 4.47Å; F60-Y91 VanDerWaalsContact CD2-CB 3.46Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.84Å; F60-Y91 HydrophobicContact CD2-CG 3.84Å; F60-Y91 VanDerWaalsContact CG-CB 3.49Å; F60-Y91 AromaticContact CG-CD2 3.87Å; F60-Y91 HydrophobicContact CG-CD2 3.87Å; F60-Y91 AromaticContact CG-CG 3.75Å; F60-Y91 HydrophobicContact CG-CG 3.75Å; F60-K92 HydrophobicContact CE2-CG 4.14Å; F60-K92 HydrophobicContact CZ-CG 3.97Å
61	D	98.6	Very high	97.5	Very high	17 Å²	17	46 Å²	46	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	121.3	176.8	-154.8	-39	0	0	0	110.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.87Å; R45-D61 IonicContact CZ-OD2 3.81Å; R45-D61 IonicContact NE-OD1 2.8Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 2.76Å; R45-D61 VanDerWaalsContact NH2-CG 3.29Å; R45-D61 IonicContact NH2-OD1 3.23Å; R45-D61 PolarHBondContact NH2-OD1 3.32Å; R45-D61 VanDerWaalsContact NH2-OD1 3.11Å; R45-D61 IonicContact NH2-OD2 3.86Å; R45-D61 PolarHBondContact NH2-OD2 3.46Å; R59-D61 IonicContact CZ-OD2 2.68Å; R59-D61 IonicContact NE-OD2 2.8Å; R59-D61 IonicContact NH2-OD2 3.22Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 3.32Å; D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.16Å; D61-A64 PolarHBondContact O-N 2.9Å
62	S	98.2	Very high	97.4	Very high	37 Å²	37	48.5 Å²	48.5	26%	0.259	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.5	-179.1	66.2	0	0	0	0	113.7	R45 F46 A64	R45-S62 VanDerWaalsContact CA-OG 3.32Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-S62 WeakPolarHBondContact CG-OG 3.39Å; F46-S62 PolarHBondContact N-OG 3.4Å; F46-S62 WeakPolarHBondContact O-CB 3.38Å; F46-S62 PolarHBondContact O-N 2.91Å; F46-S62 PolarHBondContact O-OG 2.96Å; S62-A64 VanDerWaalsContact C-N 3.29Å
63	D	97.4	Very high	97.3	Very high	77 Å²	77	48.8 Å²	48.8	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.6	-179.6	-72.3	7.3	0	0	0	112.4	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.59Å; R38-D63 IonicContact CZ-OD2 3.12Å; R38-D63 VanDerWaalsContact NH1-CG 3.29Å; R38-D63 IonicContact NH1-OD1 3.38Å; R38-D63 PolarHBondContact NH1-OD1 2.88Å; R38-D63 IonicContact NH1-OD2 3.86Å; R38-D63 PolarHBondContact NH1-OD2 3.32Å; R38-D63 IonicContact NH2-OD2 2.78Å; R38-D63 PolarHBondContact NH2-OD2 2.97Å; R45-D63 WeakPolarHBondContact CD-OD2 3.4Å; R45-D63 WeakPolarHBondContact CG-OD1 3.39Å; R45-D63 IonicContact CZ-OD2 2.73Å; R45-D63 IonicContact NE-OD2 2.75Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 3.32Å
64	A	97.2	Very high	97.3	Very high	36 Å²	36	52.3 Å²	52.3	30%	0.298	30%	0.295	S	S	.	.	S	Bend	trans	-66.6	148.4	176.6	0	0	0	0	0	111.7	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.16Å; D61-A64 PolarHBondContact O-N 2.9Å; S62-A64 VanDerWaalsContact C-N 3.29Å; A64-S66 PolarHBondContact O-N 3.49Å; A64-S66 VanDerWaalsContact O-N 3.1Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 WeakPolarHBondContact O-CG 3.5Å
65	A	96.6	Very high	97.3	Very high	118 Å²	118	50.2 Å²	50.2	98%	0.975	28%	0.283	S	S	*	.	S	Bend	trans	-62.5	-20.5	-179.8	0	0	0	0	0	114.1
66	S	96.1	Very high	97.4	Very high	84 Å²	84	48.9 Å²	48.9	59%	0.587	28%	0.275	S	S	*	.	S	Bend	trans	-143.9	89.4	168.6	-173.3	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 3.49Å; A64-S66 VanDerWaalsContact O-N 3.1Å; S66-R68 PolarHBondContact O-N 3.13Å
67	P	96.9	Very high	97.3	Very high	36 Å²	36	52.6 Å²	52.6	23%	0.234	29%	0.292	C	S	.	.			trans	-64.6	117.3	-173.6	-24.6	35.9	0	0	0	111.8	F60 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.41Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.6Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 WeakPolarHBondContact O-CG 3.5Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; P67-K92 PolarHBondContact O-NZ 3.09Å
68	R	97.7	Very high	97.1	Very high	148 Å²	148	58.7 Å²	58.7	56%	0.558	32%	0.32	S	S	*	.			trans	-149.7	164.1	177.5	62.2	-179	176.3	173.5	1.3	109.7	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.44Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 PolarHBondContact O-N 3.13Å; R68-E70 HydrophobicContact CG-CG 4.25Å; R68-T88 HydrophobicContact CB-CG2 4.22Å
69	G	97.5	Very high	97	Very high	5 Å²	5	59.2 Å²	59.2	5%	0.052	32%	0.323	C	S	.	.			trans	-65.6	134.2	164.8	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 3.12Å
70	E	97.8	Very high	96.9	Very high	52 Å²	52	57.7 Å²	57.7	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136	179.7	-60.9	-176.8	144.4	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.4Å; R59-E70 PolarHBondContact N-O 3.21Å; R59-E70 PolarHBondContact O-N 3.02Å; R68-E70 HydrophobicContact CG-CG 4.25Å; E70-R72 IonicContact OE2-CZ 3.9Å; E70-R72 IonicContact OE2-NH2 3.54Å; E70-R72 PolarHBondContact OE2-NH2 2.71Å
71	P	97.9	Very high	96.8	Very high	47 Å²	47	62.2 Å²	62.2	31%	0.305	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	150.2	172.3	28.9	-34.8	0	0	0	111.4	F57 V76 E77 W84	F57-P71 CarbonylContact O-C 3.49Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; P71-E77 HydrophobicContact CB-CG 3.64Å; P71-E77 HydrophobicContact CG-CG 3.91Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.35Å
72	R	97.4	Very high	96.8	Very high	125 Å²	125	69.4 Å²	69.4	47%	0.472	39%	0.391	S	S	.	.			trans	-133.3	-6.6	175.4	-60.5	-66.8	162.8	176.1	-5.2	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.41Å; Q56-R72 CarbonylContact O-C 3.56Å; Q56-R72 WeakPolarHBondContact O-CB 3.49Å; F57-R72 PolarHBondContact O-N 3.22Å; R59-R72 HydrophobicContact CB-CG 3.98Å; E70-R72 IonicContact OE2-CZ 3.9Å; E70-R72 IonicContact OE2-NH2 3.54Å; E70-R72 PolarHBondContact OE2-NH2 2.71Å
73	A	95.9	Very high	96.7	Very high	7 Å²	7	68 Å²	68	6%	0.058	38%	0.38	C	S	.	.	S	Bend	trans	-133.6	143.6	170	0	0	0	0	0	110.5	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.19Å; F57-A73 HydrophobicContact CB-CB 4.11Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 PolarHBondContact O-N 2.96Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.9Å
74	P	95.9	Very high	96.7	Very high	102 Å²	102	66.1 Å²	66.1	66%	0.662	37%	0.367	S	S	*	.	H	α-helix	trans	-58.8	-34	-175	-26.7	35.3	0	0	0	114.5	V76 E77	P74-V76 PolarHBondContact O-N 3.02Å; P74-E77 WeakPolarHBondContact O-CB 3.38Å; P74-E77 PolarHBondContact O-N 3.12Å
75	W	95.6	Very high	96.8	Very high	16 Å²	16	69.4 Å²	69.4	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-70.3	-9.6	-175.8	54	-108.3	0	0	0	115.2	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.16Å; V52-W75 HydrophobicContact CB-CZ2 4.29Å; V52-W75 HydrophobicContact CG2-CH2 3.8Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; T55-W75 HydrophobicContact CG2-CZ2 4.34Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.45Å; F57-W75 VanDerWaalsContact CB-CZ2 3.45Å; F57-W75 HydrophobicContact CB-CZ3 3.83Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 AromaticContact CD2-CZ3 3.9Å; F57-W75 HydrophobicContact CD2-CZ3 3.9Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 AromaticContact CG-CZ3 3.97Å; F57-W75 HydrophobicContact CG-CZ3 3.97Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 PolarHBondContact O-N 2.96Å; W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Y195 HydrophobicContact CE3-CD1 4.26Å; W75-Y195 HydrophobicContact CE3-CG 4.43Å; W75-Y195 HydrophobicContact CH2-CD2 4.44Å; W75-Y195 HydrophobicContact CH2-CG 4.09Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.2Å; W75-Y195 HydrophobicContact CZ3-CE1 4.38Å; W75-Y195 AromaticContact CZ3-CG 3.52Å; W75-Y195 HydrophobicContact CZ3-CG 3.52Å; W75-N198 HydrophobicContact CB-CB 4.32Å; W75-N198 WeakPolarHBondContact CB-O 3.3Å; W75-G199 VanDerWaalsContact CB-CA 3.44Å; W75-T202 PolarHBondContact NE1-OG1 2.79Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.75Å; W75-L203 HydrophobicContact CZ2-CD2 4.04Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	V	97.1	Very high	96.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-99.5	-14.5	169.2	76.7	0	0	0	0	112.5	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.16Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.45Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.9Å; P74-V76 PolarHBondContact O-N 3.02Å; V76-Q78 PolarHBondContact O-N 3.36Å; V76-E79 HydrophobicContact CG2-CB 4.41Å; V76-E79 HydrophobicContact CG2-CG 3.74Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.42Å; V76-E79 WeakPolarHBondContact O-CG 3.18Å; V76-E79 PolarHBondContact O-N 2.97Å; V76-Y83 HydrophobicContact CG2-CE1 4.01Å; V76-W84 HydrophobicContact CG1-CH2 3.92Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.11Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.45Å; V76-Y195 HydrophobicContact CG2-CE1 4.31Å
77	E	95.5	Very high	96.9	Very high	126 Å²	126	65 Å²	65	59%	0.589	33%	0.325	S	S	*	.	H	α-helix	trans	-62.9	-24.9	178.4	-63.1	-173.1	177	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.64Å; P71-E77 HydrophobicContact CG-CG 3.91Å; P74-E77 WeakPolarHBondContact O-CB 3.38Å; P74-E77 PolarHBondContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 3.46Å
78	Q	94.5	Very high	97	Very high	129 Å²	129	63.6 Å²	63.6	60%	0.603	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.8	173.4	66.1	176.9	12	0	0	114.7	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.48Å; V76-Q78 PolarHBondContact O-N 3.36Å; Q78-N198 PolarHBondContact NE2-ND2 3.49Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.2Å; Q78-N198 PolarHBondContact NE2-OD1 2.83Å
79	E	96.6	Very high	97	Very high	11 Å²	11	61.6 Å²	61.6	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	-69.7	134.1	174.7	-67.6	-62.7	162.1	0	0	111.2	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.41Å; V76-E79 HydrophobicContact CG2-CG 3.74Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.42Å; V76-E79 WeakPolarHBondContact O-CG 3.18Å; V76-E79 PolarHBondContact O-N 2.97Å; E77-E79 PolarHBondContact O-N 3.46Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CD2 4.4Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.13Å; E79-Y83 HydrophobicContact CG-CD2 4.4Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 3.39Å; E79-R194 VanDerWaalsContact CD-NH2 3.3Å; E79-R194 IonicContact OE1-CZ 3.64Å; E79-R194 IonicContact OE1-NE 3.71Å; E79-R194 PolarHBondContact OE1-NE 2.66Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 3.47Å; E79-R194 VanDerWaalsContact OE1-NH2 3.09Å; E79-R194 IonicContact OE2-CZ 2.92Å; E79-R194 IonicContact OE2-NE 3.88Å; E79-R194 IonicContact OE2-NH2 3.42Å; E79-R194 PolarHBondContact OE2-NH2 2.8Å; E79-N198 PolarHBondContact OE1-ND2 2.73Å
80	G	95.9	Very high	97	Very high	35 Å²	35	64.9 Å²	64.9	36%	0.361	33%	0.326	S	S	.	.			trans	-67.5	167.2	-172.5	0	0	0	0	0	114.6	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.33Å; G80-Y83 PolarHBondContact O-N 3Å; G80-W84 PolarHBondContact O-N 2.66Å
81	P	96.8	Very high	97	Very high	99 Å²	99	62.7 Å²	62.7	64%	0.643	32%	0.315	S	S	*	.	H	α-helix	trans	-57.1	-34.5	-178.6	23.4	-33.8	0	0	0	112.9	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.72Å; P81-W84 PolarHBondContact O-N 2.68Å; P81-W84 VanDerWaalsContact O-N 3.13Å; P81-D85 WeakPolarHBondContact O-CB 3.29Å; P81-D85 PolarHBondContact O-N 2.84Å
82	E	97.4	Very high	97.1	Very high	167 Å²	167	64.3 Å²	64.3	78%	0.78	32%	0.317	S	S	*	.	H	α-helix	trans	-59.1	-33.7	176.2	-59.7	177	175.9	0	0	113.3	G80 R86	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.17Å; E82-R86 PolarHBondContact O-N 2.93Å
83	Y	97.5	Very high	97.1	Very high	7 Å²	7	66.1 Å²	66.1	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-55	171.8	167.8	-90.3	0	0	0	109.7	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CD2 4.4Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.13Å; E79-Y83 HydrophobicContact CG-CD2 4.4Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.33Å; G80-Y83 PolarHBondContact O-N 3Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.72Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.47Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.31Å; Y83-R86 PolarHBondContact O-N 2.84Å; Y83-R86 VanDerWaalsContact O-N 3.11Å; Y83-E87 HydrophobicContact CD1-CG 4.32Å; Y83-E87 HydrophobicContact CD2-CG 4.03Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.21Å; Y83-E87 PolarHBondContact O-N 2.9Å; Y83-W191 AromaticContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CZ2 4.48Å; Y83-W191 AromaticContact CD2-CZ3 3.73Å; Y83-W191 HydrophobicContact CD2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 HydrophobicContact CE2-CH2 4.17Å; Y83-W191 AromaticContact CE2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CZ3 3.8Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.5Å; Y83-Y195 PolarHBondContact OH-OH 2.76Å
84	W	98	Very high	97.2	Very high	39 Å²	39	67.9 Å²	67.9	15%	0.148	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-38.1	-176	-67.4	107.9	0	0	0	113.5	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.87Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.35Å; V76-W84 HydrophobicContact CG1-CH2 3.92Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.11Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.45Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 3.39Å; G80-W84 PolarHBondContact O-N 2.66Å; P81-W84 PolarHBondContact O-N 2.68Å; P81-W84 VanDerWaalsContact O-N 3.13Å; W84-T88 WeakPolarHBondContact O-CB 3.22Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 2.91Å
85	D	97.9	Very high	97.3	Very high	105 Å²	105	63.8 Å²	63.8	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-65.6	-47.7	172.7	-81	-31.6	0	0	0	111.2	P81 Y83 E87 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.29Å; P81-D85 PolarHBondContact O-N 2.84Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.47Å; D85-E87 PolarHBondContact O-N 2.99Å; D85-T88 WeakPolarHBondContact O-CB 3.48Å; D85-T88 PolarHBondContact O-N 3.4Å; D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.32Å; D85-Q89 PolarHBondContact O-N 2.84Å
86	R	97.5	Very high	97.4	Very high	103 Å²	103	67.7 Å²	67.7	39%	0.389	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-46.2	-180	-175.5	-171.3	69.7	-146.9	-0.1	112.2	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.17Å; E82-R86 PolarHBondContact O-N 2.93Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.31Å; Y83-R86 PolarHBondContact O-N 2.84Å; Y83-R86 VanDerWaalsContact O-N 3.11Å; R86-Q89 PolarHBondContact O-N 3.49Å; R86-K90 PolarHBondContact O-N 3.48Å
87	E	97.7	Very high	97.5	Very high	5 Å²	5	69.4 Å²	69.4	2%	0.023	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-41.8	177	-56.9	-43.7	119.3	0	0	110.8	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.32Å; Y83-E87 HydrophobicContact CD2-CG 4.03Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.21Å; Y83-E87 PolarHBondContact O-N 2.9Å; D85-E87 PolarHBondContact O-N 2.99Å; E87-Q89 VanDerWaalsContact C-N 3.26Å; E87-Q89 PolarHBondContact O-N 3.31Å; E87-K90 WeakPolarHBondContact O-CA 3.5Å; E87-K90 WeakPolarHBondContact O-CB 3.11Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 IonicContact OE1-NZ 2.74Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å; E87-K90 VanDerWaalsContact OE2-CD 3.26Å; E87-K90 WeakPolarHBondContact OE2-CD 3.4Å; E87-K90 WeakPolarHBondContact OE2-CE 3.01Å; E87-K90 IonicContact OE2-NZ 2.7Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å; E87-Y91 HydrophobicContact CB-CE2 3.96Å; E87-Y91 WeakPolarHBondContact O-CD2 3.33Å; E87-Y91 PolarHBondContact O-N 3.07Å
88	T	98.4	Very high	97.6	Very high	8 Å²	8	63.8 Å²	63.8	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-55	-40.1	171.5	-66.7	0	0	0	0	112.5	R68 G69 W84 D85 K92	R68-T88 HydrophobicContact CB-CG2 4.22Å; G69-T88 PolarHBondContact N-OG1 3.12Å; W84-T88 WeakPolarHBondContact O-CB 3.22Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 2.91Å; D85-T88 WeakPolarHBondContact O-CB 3.48Å; D85-T88 PolarHBondContact O-N 3.4Å; T88-K92 HydrophobicContact CG2-CD 3.92Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.48Å; T88-K92 PolarHBondContact O-N 2.98Å
89	Q	98.3	Very high	97.7	Very high	106 Å²	106	60.8 Å²	60.8	50%	0.495	30%	0.297	S	S	.	.	H	α-helix	trans	-77.6	-18.6	176.3	-63.7	-62.8	-9.6	0	0	113.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.28Å; D85-Q89 WeakPolarHBondContact O-CG 3.32Å; D85-Q89 PolarHBondContact O-N 2.84Å; R86-Q89 PolarHBondContact O-N 3.49Å; E87-Q89 VanDerWaalsContact C-N 3.26Å; E87-Q89 PolarHBondContact O-N 3.31Å; Q89-R93 WeakPolarHBondContact O-CG 3.22Å; Q89-R93 PolarHBondContact O-N 2.86Å; Q89-R93 PolarHBondContact O-NE 2.82Å
90	K	97.7	Very high	97.8	Very high	74 Å²	74	63.2 Å²	63.2	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-70.9	-56.5	165	-69.7	176.9	-172	163.1	0	110.1	R86 E87 K92 R93 Q94	R86-K90 PolarHBondContact O-N 3.48Å; E87-K90 WeakPolarHBondContact O-CA 3.5Å; E87-K90 WeakPolarHBondContact O-CB 3.11Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 IonicContact OE1-NZ 2.74Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å; E87-K90 VanDerWaalsContact OE2-CD 3.26Å; E87-K90 WeakPolarHBondContact OE2-CD 3.4Å; E87-K90 WeakPolarHBondContact OE2-CE 3.01Å; E87-K90 IonicContact OE2-NZ 2.7Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å; K90-K92 VanDerWaalsContact C-N 3.28Å; K90-K92 PolarHBondContact O-N 2.88Å; K90-R93 WeakPolarHBondContact O-CA 3.32Å; K90-R93 WeakPolarHBondContact O-CB 3.47Å; K90-R93 PolarHBondContact O-N 2.88Å; K90-Q94 PolarHBondContact O-N 2.78Å
91	Y	98.4	Very high	97.9	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-55.2	-41.4	-179.2	-58.1	-52	0	0	0	112.4	F46 S48 V58 F60 E87 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.45Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.43Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.44Å; F60-Y91 HydrophobicContact CB-CD1 4.13Å; F60-Y91 HydrophobicContact CB-CD2 3.63Å; F60-Y91 HydrophobicContact CB-CE2 4.1Å; F60-Y91 HydrophobicContact CB-CG 3.66Å; F60-Y91 HydrophobicContact CD1-CG 4.47Å; F60-Y91 VanDerWaalsContact CD2-CB 3.46Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.84Å; F60-Y91 HydrophobicContact CD2-CG 3.84Å; F60-Y91 VanDerWaalsContact CG-CB 3.49Å; F60-Y91 AromaticContact CG-CD2 3.87Å; F60-Y91 HydrophobicContact CG-CD2 3.87Å; F60-Y91 AromaticContact CG-CG 3.75Å; F60-Y91 HydrophobicContact CG-CG 3.75Å; E87-Y91 HydrophobicContact CB-CE2 3.96Å; E87-Y91 WeakPolarHBondContact O-CD2 3.33Å; E87-Y91 PolarHBondContact O-N 3.07Å; Y91-R93 PolarHBondContact O-N 3.13Å; Y91-Q94 PolarHBondContact O-N 2.91Å; Y91-A95 WeakPolarHBondContact O-CB 3.14Å; Y91-A95 PolarHBondContact O-N 2.88Å
92	K	98.3	Very high	97.9	Very high	81 Å²	81	59.3 Å²	59.3	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-32.5	176.1	-75.4	173.1	-180	167	0	113.9	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.14Å; F60-K92 HydrophobicContact CZ-CG 3.97Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; P67-K92 PolarHBondContact O-NZ 3.09Å; T88-K92 HydrophobicContact CG2-CD 3.92Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.48Å; T88-K92 PolarHBondContact O-N 2.98Å; K90-K92 VanDerWaalsContact C-N 3.28Å; K90-K92 PolarHBondContact O-N 2.88Å; K92-Q96 WeakPolarHBondContact O-CG 2.95Å
93	R	98.3	Very high	97.9	Very high	164 Å²	164	57.2 Å²	57.2	62%	0.619	26%	0.262	S	S	*	.	H	α-helix	trans	-72.9	-43.2	172.9	-77.9	179.9	-69.3	163.4	0.9	111.1	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CG 3.22Å; Q89-R93 PolarHBondContact O-N 2.86Å; Q89-R93 PolarHBondContact O-NE 2.82Å; K90-R93 WeakPolarHBondContact O-CA 3.32Å; K90-R93 WeakPolarHBondContact O-CB 3.47Å; K90-R93 PolarHBondContact O-N 2.88Å; Y91-R93 PolarHBondContact O-N 3.13Å; R93-Q96 PolarHBondContact O-N 3.3Å; R93-Q96 VanDerWaalsContact O-N 3.15Å; R93-A97 PolarHBondContact O-N 2.9Å
94	Q	98.3	Very high	97.8	Very high	43 Å²	43	61.6 Å²	61.6	20%	0.201	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-44.9	178.6	-170	58.2	28.8	0	0	111.9	D33 F46 K90 Y91 Q96 A97 D98 W121	D33-Q94 WeakPolarHBondContact OD2-CG 3.16Å; F46-Q94 HydrophobicContact CE2-CB 4.15Å; F46-Q94 HydrophobicContact CE2-CG 3.64Å; F46-Q94 HydrophobicContact CZ-CB 3.9Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; K90-Q94 PolarHBondContact O-N 2.78Å; Y91-Q94 PolarHBondContact O-N 2.91Å; Q94-Q96 PolarHBondContact O-N 2.83Å; Q94-Q96 VanDerWaalsContact O-N 3.15Å; Q94-A97 CarbonylContact O-C 3.59Å; Q94-A97 WeakPolarHBondContact O-CA 3.2Å; Q94-A97 WeakPolarHBondContact O-CB 3.4Å; Q94-A97 PolarHBondContact O-N 2.83Å; Q94-D98 VanDerWaalsContact NE2-CG 3.26Å; Q94-D98 PolarHBondContact NE2-OD1 2.98Å; Q94-D98 VanDerWaalsContact NE2-OD1 3.17Å; Q94-D98 PolarHBondContact NE2-OD2 3.13Å; Q94-D98 PolarHBondContact O-N 3.42Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.44Å; Q94-W121 HydrophobicContact CG-CE3 4.31Å; Q94-W121 HydrophobicContact CG-CZ3 4.04Å
95	A	98.3	Very high	97.8	Very high	17 Å²	17	60 Å²	60	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-35.4	173.2	0	0	0	0	0	113.5	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.6Å; F46-A95 HydrophobicContact CD1-CB 3.8Å; F46-A95 HydrophobicContact CD2-CB 4.2Å; F46-A95 HydrophobicContact CG-CB 3.6Å; Y91-A95 WeakPolarHBondContact O-CB 3.14Å; Y91-A95 PolarHBondContact O-N 2.88Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 2.91Å; A95-R99 VanDerWaalsContact O-N 3.13Å
96	Q	98	Very high	97.8	Very high	98 Å²	98	57.9 Å²	57.9	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-78.8	-33.4	174.6	-64.9	-59.4	-42.1	0	0	112.9	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 2.95Å; R93-Q96 PolarHBondContact O-N 3.3Å; R93-Q96 VanDerWaalsContact O-N 3.15Å; Q94-Q96 PolarHBondContact O-N 2.83Å; Q94-Q96 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CD 3.28Å; Q96-V100 WeakPolarHBondContact O-CG2 3.48Å; Q96-V100 PolarHBondContact O-N 2.83Å
97	A	97.9	Very high	97.7	Very high	36 Å²	36	55.2 Å²	55.2	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-48.2	172.2	0	0	0	0	0	110.7	R93 Q94 V100 N101	R93-A97 PolarHBondContact O-N 2.9Å; Q94-A97 CarbonylContact O-C 3.59Å; Q94-A97 WeakPolarHBondContact O-CA 3.2Å; Q94-A97 WeakPolarHBondContact O-CB 3.4Å; Q94-A97 PolarHBondContact O-N 2.83Å; A97-V100 CarbonylContact O-C 3.6Å; A97-V100 WeakPolarHBondContact O-CA 3.41Å; A97-V100 WeakPolarHBondContact O-CB 3.44Å; A97-V100 PolarHBondContact O-N 2.85Å; A97-N101 PolarHBondContact O-N 2.9Å; A97-N101 PolarHBondContact O-ND2 2.82Å; A97-N101 PolarHBondContact O-OD1 2.95Å
98	D	97.9	Very high	97.7	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-73.7	-33.2	-177.2	-67.6	-30.7	0	0	0	113.4	A35 Q94 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.61Å; Q94-D98 VanDerWaalsContact NE2-CG 3.26Å; Q94-D98 PolarHBondContact NE2-OD1 2.98Å; Q94-D98 VanDerWaalsContact NE2-OD1 3.17Å; Q94-D98 PolarHBondContact NE2-OD2 3.13Å; Q94-D98 PolarHBondContact O-N 3.42Å; D98-V100 PolarHBondContact O-N 3.32Å; D98-N101 PolarHBondContact O-N 2.84Å; D98-N101 VanDerWaalsContact O-N 3.13Å; D98-N101 PolarHBondContact OD1-ND2 3.22Å; D98-N101 VanDerWaalsContact OD1-ND2 3.14Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 2.87Å; D98-L119 HydrophobicContact CB-CD2 4.02Å; D98-L119 WeakPolarHBondContact OD1-CD2 3.36Å
99	R	97.5	Very high	97.7	Very high	67 Å²	67	60.4 Å²	60.4	25%	0.253	28%	0.283	S	S	.	.	H	α-helix	trans	-53.8	-34.6	164.5	176.1	-171.2	-178.5	-138.6	-1.3	112.6	E43 P44 A95 Q96 R103	E43-R99 IonicContact OE1-CZ 3.38Å; E43-R99 IonicContact OE1-NE 3.11Å; E43-R99 PolarHBondContact OE1-NE 3.16Å; E43-R99 IonicContact OE1-NH2 2.83Å; E43-R99 PolarHBondContact OE1-NH2 2.73Å; E43-R99 IonicContact OE2-CZ 3.35Å; E43-R99 IonicContact OE2-NE 3.71Å; E43-R99 PolarHBondContact OE2-NE 3.36Å; E43-R99 IonicContact OE2-NH2 2.76Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.35Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 2.91Å; A95-R99 VanDerWaalsContact O-N 3.13Å; Q96-R99 VanDerWaalsContact OE1-CD 3.28Å; R99-R103 WeakPolarHBondContact O-CG 3.49Å; R99-R103 PolarHBondContact O-NE 2.81Å
100	V	97.6	Very high	97.6	Very high	62 Å²	62	62.4 Å²	62.4	38%	0.376	30%	0.298	S	S	.	.	H	α-helix	trans	-83.4	-37.6	175	169	0	0	0	0	111.5	Q96 A97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.48Å; Q96-V100 PolarHBondContact O-N 2.83Å; A97-V100 CarbonylContact O-C 3.6Å; A97-V100 WeakPolarHBondContact O-CA 3.41Å; A97-V100 WeakPolarHBondContact O-CB 3.44Å; A97-V100 PolarHBondContact O-N 2.85Å; D98-V100 PolarHBondContact O-N 3.32Å; V100-R103 PolarHBondContact O-N 3.25Å; V100-K104 WeakPolarHBondContact O-CG 3.39Å; V100-K104 PolarHBondContact O-N 3.02Å; V100-K104 VanDerWaalsContact O-N 3.16Å
101	N	97.9	Very high	97.6	Very high	44 Å²	44	61.8 Å²	61.8	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-43.4	179.8	-62.5	-28.8	0	0	0	112	A97 D98 R103 K104 L105 L119	A97-N101 PolarHBondContact O-N 2.9Å; A97-N101 PolarHBondContact O-ND2 2.82Å; A97-N101 PolarHBondContact O-OD1 2.95Å; D98-N101 PolarHBondContact O-N 2.84Å; D98-N101 VanDerWaalsContact O-N 3.13Å; D98-N101 PolarHBondContact OD1-ND2 3.22Å; D98-N101 VanDerWaalsContact OD1-ND2 3.14Å; N101-R103 PolarHBondContact O-N 2.8Å; N101-K104 WeakPolarHBondContact O-CA 3.35Å; N101-K104 WeakPolarHBondContact O-CB 3.25Å; N101-K104 PolarHBondContact O-N 2.89Å; N101-K104 PolarHBondContact OD1-NZ 2.03Å; N101-L105 VanDerWaalsContact O-CG 3.3Å; N101-L105 WeakPolarHBondContact O-CG 3.42Å; N101-L105 PolarHBondContact O-N 2.88Å; N101-L119 HydrophobicContact CB-CD2 3.7Å
102	L	98	Very high	97.4	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-51.5	-40	172.2	-75.9	167	0	0	0	112.3	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.93Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.79Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 2.87Å; L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.21Å; L102-R106 PolarHBondContact O-N 3.29Å; L102-R106 VanDerWaalsContact O-N 3.1Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.05Å
103	R	96.1	Very high	97	Very high	123 Å²	123	67.7 Å²	67.7	46%	0.464	33%	0.334	S	S	.	.	H	α-helix	trans	-70.3	-38.6	176.3	-62.3	172.9	-170	174.2	1.8	112.5	E43 R99 V100 N101 G107	E43-R103 IonicContact OE2-NH2 2.67Å; R99-R103 WeakPolarHBondContact O-CG 3.49Å; R99-R103 PolarHBondContact O-NE 2.81Å; V100-R103 PolarHBondContact O-N 3.25Å; N101-R103 PolarHBondContact O-N 2.8Å; R103-G107 PolarHBondContact O-N 3.45Å
104	K	96.9	Very high	96.6	Very high	98 Å²	98	66.8 Å²	66.8	43%	0.426	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-47.9	175.5	-65.6	169.9	-170.8	152	0	111.1	V100 N101 G107 Y108	V100-K104 WeakPolarHBondContact O-CG 3.39Å; V100-K104 PolarHBondContact O-N 3.02Å; V100-K104 VanDerWaalsContact O-N 3.16Å; N101-K104 WeakPolarHBondContact O-CA 3.35Å; N101-K104 WeakPolarHBondContact O-CB 3.25Å; N101-K104 PolarHBondContact O-N 2.89Å; N101-K104 PolarHBondContact OD1-NZ 2.03Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.26Å; K104-G107 PolarHBondContact O-N 2.84Å; K104-G107 VanDerWaalsContact O-N 3.12Å; K104-Y108 WeakPolarHBondContact O-CD1 3.35Å; K104-Y108 PolarHBondContact O-N 3.05Å
105	L	97.8	Very high	96.4	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-52.4	-178.1	-67.7	166.6	0	0	0	110.5	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 VanDerWaalsContact O-CG 3.3Å; N101-L105 WeakPolarHBondContact O-CG 3.42Å; N101-L105 PolarHBondContact O-N 2.88Å; L105-G107 PolarHBondContact O-N 2.94Å; L105-G107 VanDerWaalsContact O-N 3.11Å; L105-Y108 HydrophobicContact CD2-CD2 4.42Å; L105-Y108 PolarHBondContact O-N 2.96Å; L105-Y109 HydrophobicContact CD2-CE2 4.41Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.9Å; L105-L119 HydrophobicContact CD1-CD1 3.94Å; L105-L119 HydrophobicContact CD1-CD2 4.07Å; L105-L119 HydrophobicContact CD1-CG 4.43Å; L105-Y142 HydrophobicContact CB-CD1 4.22Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.83Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.39Å; L105-Y142 HydrophobicContact CD1-CD2 3.64Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.26Å; L105-Y147 HydrophobicContact CD2-CD2 4.15Å; L105-Y147 HydrophobicContact CD2-CE1 3.68Å; L105-Y147 HydrophobicContact CD2-CE2 3.55Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å
106	R	96.6	Very high	96.3	Very high	61 Å²	61	68.7 Å²	68.7	23%	0.23	36%	0.36	C	S	.	.	H	α-helix	trans	-50.7	-38.3	172.7	-168.2	-165.9	68.6	172.9	7.4	112.5	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.21Å; L102-R106 PolarHBondContact O-N 3.29Å; L102-R106 VanDerWaalsContact O-N 3.1Å; R106-N110 PolarHBondContact O-N 3.17Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.72Å; R106-Q111 PolarHBondContact O-N 3.37Å; R106-E113 IonicContact CZ-OE1 3.68Å; R106-E113 IonicContact NH1-OE1 3.12Å; R106-E113 PolarHBondContact NH1-OE1 2.99Å; R106-E113 IonicContact NH2-OE1 2.91Å; R106-E113 PolarHBondContact NH2-OE1 2.95Å; R106-Y142 PolarHBondContact N-OH 2.81Å
107	G	96.5	Very high	96.3	Very high	46 Å²	46	64.7 Å²	64.7	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-69.5	-44.6	173.7	0	0	0	0	0	114.3	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.45Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.26Å; K104-G107 PolarHBondContact O-N 2.84Å; K104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 2.94Å; L105-G107 VanDerWaalsContact O-N 3.11Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; G107-Y109 PolarHBondContact O-N 3.18Å; G107-N110 PolarHBondContact O-N 3.12Å
108	Y	97.7	Very high	96.4	Very high	53 Å²	53	64.8 Å²	64.8	21%	0.208	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-37.4	177	-62.7	-15.6	0	0	0	112.3	K104 L105 N110 A163 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.35Å; K104-Y108 PolarHBondContact O-N 3.05Å; L105-Y108 HydrophobicContact CD2-CD2 4.42Å; L105-Y108 PolarHBondContact O-N 2.96Å; Y108-N110 PolarHBondContact O-ND2 2.86Å; Y108-A163 HydrophobicContact CD2-CB 4.41Å; Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CE1-CG2 3.94Å; Y108-I166 HydrophobicContact CE2-CB 4.17Å; Y108-I166 HydrophobicContact CE2-CG2 4.14Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; Y108-K170 PolarHBondContact OH-NZ 2.93Å
109	Y	97.7	Very high	96.4	Very high	69 Å²	69	64.8 Å²	64.8	27%	0.271	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.2	178.7	-68.9	-70.9	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.41Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.9Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; G107-Y109 PolarHBondContact O-N 3.18Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.21Å; Y109-D161 PolarHBondContact OH-OD2 3.4Å; Y109-A163 HydrophobicContact CD1-CB 4.22Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 4.03Å
110	N	96.6	Very high	96.5	Very high	148 Å²	148	65.3 Å²	65.3	79%	0.791	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.7	-178.5	-52.7	-85.5	0	0	0	113.8	R106 G107 Y108	R106-N110 PolarHBondContact O-N 3.17Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.12Å; Y108-N110 PolarHBondContact O-ND2 2.86Å
111	Q	96.8	Very high	96.5	Very high	61 Å²	61	63.8 Å²	63.8	29%	0.285	33%	0.331	S	S	.	.			trans	-82.2	154.5	-178.4	-69.5	162.2	-48.1	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.72Å; R106-Q111 PolarHBondContact O-N 3.37Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 PolarHBondContact NE2-CE1 3.01Å; Q111-Y142 PolarHBondContact OE1-OH 3.33Å; Q111-D143 PolarHBondContact NE2-OD2 3.24Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.08Å
112	S	94.2	Very high	96.5	Very high	78 Å²	78	62.8 Å²	62.8	55%	0.545	33%	0.326	S	S	.	.			trans	-71.9	156	-177.7	53.4	0	0	0	0	113.4	D114 G115	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.22Å; S112-G115 PolarHBondContact O-N 3.29Å
113	E	90.4	Very high	96.6	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-28	-179.6	-63.1	-135.8	92.4	0	0	113.8	P39 R106 G115	P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.35Å; R106-E113 IonicContact CZ-OE1 3.68Å; R106-E113 IonicContact NH1-OE1 3.12Å; R106-E113 PolarHBondContact NH1-OE1 2.99Å; R106-E113 IonicContact NH2-OE1 2.91Å; R106-E113 PolarHBondContact NH2-OE1 2.95Å; E113-G115 PolarHBondContact O-N 3.48Å
114	D	90.6	Very high	96.7	Very high	144 Å²	144	57.8 Å²	57.8	77%	0.77	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.9	178.3	-49.9	-68.4	0	0	0	113.5	S112	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.22Å
115	G	92.6	Very high	96.8	Very high	16 Å²	16	53.1 Å²	53.1	17%	0.165	29%	0.286	C	S	.	.			trans	-71.2	123.2	178.4	0	0	0	0	0	113.5	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.3Å; P39-G115 WeakPolarHBondContact CG-O 3.33Å; S112-G115 PolarHBondContact O-N 3.29Å; E113-G115 PolarHBondContact O-N 3.48Å; G115-H117 PolarHBondContact O-CD2 2.81Å
116	S	97.1	Very high	96.8	Very high	84 Å²	84	53.9 Å²	53.9	59%	0.587	29%	0.29	S	S	*	.			trans	-76.9	121.8	162.1	-172.2	0	0	0	0	108.4	S37	S37-S116 PolarHBondContact O-OG 3.12Å
117	H	98.3	Very high	96.8	Very high	15 Å²	15	51.2 Å²	51.2	7%	0.069	28%	0.28	C	S	.	.			trans	-128.7	149.8	-174.8	-66.7	-71.5	0	0	0	111.1	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.54Å; V36-H117 WeakPolarHBondContact CA-O 3.48Å; S37-H117 PolarHBondContact N-O 2.87Å; S37-H117 PolarHBondContact OG-N 3.35Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 3.01Å; G115-H117 PolarHBondContact O-CD2 2.81Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.47Å; H117-Y142 VanDerWaalsContact CG-OH 3.28Å; H117-Y142 PolarHBondContact ND1-OH 2.76Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.11Å; H117-D143 IonicContact CE1-OD2 3.57Å; H117-D143 IonicContact CG-OD1 3.52Å; H117-D143 IonicContact CG-OD2 3.78Å; H117-D143 IonicContact ND1-OD1 2.68Å; H117-D143 PolarHBondContact ND1-OD1 2.87Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 3.19Å
118	T	98.6	Very high	96.6	Very high	37 Å²	37	49.4 Å²	49.4	23%	0.227	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.7	-175	-64.2	0	0	0	0	110.2	T34 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.22Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å; T118-Q120 HydrophobicContact CG2-CG 3.87Å; T118-Y142 CarbonylContact O-C 3.53Å; T118-Y142 WeakPolarHBondContact O-CA 3.43Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.49Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 2.81Å
119	L	98.8	Very high	96.2	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.6	168.4	173.2	58.7	0	0	0	107.9	T34 A35 D98 N101 L102 L105 Y142	T34-L119 WeakPolarHBondContact CA-O 3.39Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.63Å; A35-L119 PolarHBondContact O-N 3.47Å; D98-L119 HydrophobicContact CB-CD2 4.02Å; D98-L119 WeakPolarHBondContact OD1-CD2 3.36Å; N101-L119 HydrophobicContact CB-CD2 3.7Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CD1 3.94Å; L105-L119 HydrophobicContact CD1-CD2 4.07Å; L105-L119 HydrophobicContact CD1-CG 4.43Å; L119-Y142 HydrophobicContact CB-CD2 4.46Å
120	Q	98.8	Very high	95.7	Very high	77 Å²	77	52.4 Å²	52.4	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.4	176.4	-69.4	169	-97.4	0	0	109.2	D33 T34 T118 S140 A141	D33-Q120 WeakPolarHBondContact O-CA 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å; T118-Q120 HydrophobicContact CG2-CG 3.87Å; Q120-S140 CarbonylContact O-C 3.6Å; Q120-S140 WeakPolarHBondContact O-CA 3.3Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.38Å; Q120-A141 PolarHBondContact O-N 2.87Å
121	W	98.6	Very high	95.3	Very high	30 Å²	30	46.3 Å²	46.3	11%	0.114	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	129.8	-179.4	-177.5	41.1	0	0	0	109.7	F32 D33 Q94 Y123 D138 S140 W180	F32-W121 WeakPolarHBondContact CA-O 3.49Å; D33-W121 HydrophobicContact CB-CB 4.26Å; D33-W121 HydrophobicContact CB-CE3 4.28Å; D33-W121 PolarHBondContact N-O 2.88Å; D33-W121 PolarHBondContact O-N 2.81Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.44Å; Q94-W121 HydrophobicContact CG-CE3 4.31Å; Q94-W121 HydrophobicContact CG-CZ3 4.04Å; W121-Y123 AromaticContact CD2-CD1 3.8Å; W121-Y123 HydrophobicContact CD2-CD1 3.8Å; W121-Y123 HydrophobicContact CD2-CE1 4.34Å; W121-Y123 AromaticContact CE2-CD1 3.71Å; W121-Y123 AromaticContact CE3-CD1 3.78Å; W121-Y123 HydrophobicContact CE3-CD1 3.78Å; W121-Y123 AromaticContact CE3-CE1 3.84Å; W121-Y123 HydrophobicContact CE3-CE1 3.84Å; W121-Y123 AromaticContact CH2-CD1 3.7Å; W121-Y123 HydrophobicContact CH2-CD1 3.7Å; W121-Y123 AromaticContact CH2-CE1 3.82Å; W121-Y123 HydrophobicContact CH2-CE1 3.82Å; W121-Y123 AromaticContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CE1 4.29Å; W121-Y123 HydrophobicContact CZ2-CG 4.3Å; W121-Y123 AromaticContact CZ3-CD1 3.73Å; W121-Y123 HydrophobicContact CZ3-CD1 3.73Å; W121-Y123 AromaticContact CZ3-CE1 3.56Å; W121-Y123 HydrophobicContact CZ3-CE1 3.56Å; W121-D138 PolarHBondContact NE1-OD1 3.41Å; W121-S140 VanDerWaalsContact CD1-OG 3.31Å; W121-W180 AromaticContact CH2-CH2 3.48Å; W121-W180 HydrophobicContact CH2-CH2 3.48Å; W121-W180 VanDerWaalsContact CH2-CH2 3.48Å; W121-W180 AromaticContact CH2-CZ2 3.52Å; W121-W180 HydrophobicContact CH2-CZ2 3.52Å; W121-W180 AromaticContact CZ2-CH2 3.41Å; W121-W180 HydrophobicContact CZ2-CH2 3.41Å; W121-W180 VanDerWaalsContact CZ2-CH2 3.41Å; W121-W180 AromaticContact CZ2-CZ2 3.3Å; W121-W180 HydrophobicContact CZ2-CZ2 3.3Å; W121-W180 HydrophobicContact CZ2-CZ3 4.34Å
122	M	98.7	Very high	95.2	Very high	24 Å²	24	51.4 Å²	51.4	12%	0.118	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.1	174.5	-171.5	-78.6	-74	0	0	109	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.4Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.29Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CG-CG 4.33Å; F32-M122 HydrophobicContact CZ-CG 4.07Å; M122-Y137 HydrophobicContact CE-CD1 3.84Å; M122-Y137 HydrophobicContact CE-CG 4.08Å; M122-Q139 HydrophobicContact CB-CG 4.15Å; M122-Q139 HydrophobicContact CE-CG 3.88Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 2.78Å
123	Y	98.7	Very high	95.3	Very high	26 Å²	26	50 Å²	50	10%	0.102	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.4	173.5	67.7	-96.7	0	0	0	110.4	Y31 W121 Y137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.14Å; Y31-Y123 AromaticContact CD2-CE2 3.4Å; Y31-Y123 HydrophobicContact CD2-CE2 3.4Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.4Å; Y31-Y123 AromaticContact CD2-CZ 3.87Å; Y31-Y123 HydrophobicContact CE2-CE2 4.17Å; Y31-Y123 HydrophobicContact CG-CE1 4.4Å; Y31-Y123 AromaticContact CG-CE2 3.65Å; Y31-Y123 HydrophobicContact CG-CE2 3.65Å; Y31-Y123 AromaticContact CG-CZ 3.59Å; Y31-Y123 PolarHBondContact N-O 3.08Å; Y31-Y123 PolarHBondContact O-N 3.38Å; W121-Y123 AromaticContact CD2-CD1 3.8Å; W121-Y123 HydrophobicContact CD2-CD1 3.8Å; W121-Y123 HydrophobicContact CD2-CE1 4.34Å; W121-Y123 AromaticContact CE2-CD1 3.71Å; W121-Y123 AromaticContact CE3-CD1 3.78Å; W121-Y123 HydrophobicContact CE3-CD1 3.78Å; W121-Y123 AromaticContact CE3-CE1 3.84Å; W121-Y123 HydrophobicContact CE3-CE1 3.84Å; W121-Y123 AromaticContact CH2-CD1 3.7Å; W121-Y123 HydrophobicContact CH2-CD1 3.7Å; W121-Y123 AromaticContact CH2-CE1 3.82Å; W121-Y123 HydrophobicContact CH2-CE1 3.82Å; W121-Y123 AromaticContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CE1 4.29Å; W121-Y123 HydrophobicContact CZ2-CG 4.3Å; W121-Y123 AromaticContact CZ3-CD1 3.73Å; W121-Y123 HydrophobicContact CZ3-CD1 3.73Å; W121-Y123 AromaticContact CZ3-CE1 3.56Å; W121-Y123 HydrophobicContact CZ3-CE1 3.56Å; Y123-Y137 VanDerWaalsContact CA-O 3.23Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 WeakPolarHBondContact CB-O 3.2Å; Y123-W180 HydrophobicContact CD2-CZ3 4.19Å; Y123-W180 HydrophobicContact CG-CH2 4.39Å; Y123-W180 HydrophobicContact CG-CZ3 4.2Å; Y123-Y183 AromaticContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CE2-CE1 4.16Å
124	G	98.5	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-179.6	-176.7	0	0	0	0	0	114.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.37Å; M29-G124 WeakPolarHBondContact O-CA 3.3Å; G124-G136 CarbonylContact O-C 3.54Å; G124-Y137 PolarHBondContact N-O 3.44Å; G124-Y137 PolarHBondContact O-N 3.02Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125	C	98.5	Very high	95.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.7	-178.4	53.4	0	0	0	0	111.3	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.58Å; S28-C125 WeakPolarHBondContact CA-O 3.19Å; M29-C125 PolarHBondContact N-O 3.45Å; M29-C125 PolarHBondContact O-N 2.9Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.1Å; C125-C188 HydrophobicContact CB-CB 3.86Å; C125-C188 WeakPolarHBondContact CB-SG 3.32Å; C125-C188 PolarHBondContact N-SG 3.37Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.49Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.31Å
126	D	97.9	Very high	96.1	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.1	173.4	-59.1	-6.3	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.37Å; R30-D126 IonicContact CZ-OD1 2.77Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 3.1Å; R30-D126 IonicContact NE-OD1 2.98Å; R30-D126 PolarHBondContact NE-OD1 3.36Å; R30-D126 IonicContact NH2-OD1 3.2Å; R30-D126 PolarHBondContact NH2-OD1 3.43Å; R30-D126 IonicContact NH2-OD2 2.71Å; R30-D126 PolarHBondContact NH2-OD2 3.27Å; D126-L134 PolarHBondContact O-N 3.4Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.2Å; D126-R135 PolarHBondContact O-N 3.08Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 PolarHBondContact OD2-OH 3.3Å
127	L	96.5	Very high	96.2	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.8	176.1	-54.2	-177.4	0	0	0	110.6	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å; H27-L127 PolarHBondContact N-O 3.3Å; H27-L127 PolarHBondContact O-N 3.43Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.34Å; L127-V189 HydrophobicContact CD2-CB 4.15Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.77Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.46Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.92Å
128	G	92.9	Very high	96.2	Very high	8 Å²	8	43.7 Å²	43.7	8%	0.082	22%	0.218	C	C	.	.			trans	-72.7	175.5	165.1	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.61Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.3Å; G128-G131 PolarHBondContact O-N 3.43Å; G128-R132 PolarHBondContact N-O 3.26Å
129	P	88.6	Confident	96.2	Very high	91 Å²	91	45.5 Å²	45.5	59%	0.591	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.3	-177.4	-18.9	31.7	0	0	0	114	A24 G131	A24-P129 HydrophobicContact CB-CB 3.9Å; A24-P129 HydrophobicContact CB-CG 3.38Å; A24-P129 WeakPolarHBondContact O-CG 3.42Å; P129-G131 PolarHBondContact O-N 3.43Å
130	D	88.6	Confident	96.2	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6.6	171.5	75.9	-15.9	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 2.61Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 VanDerWaalsContact C-N 3.25Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 WeakPolarHBondContact OD1-CG 3.48Å; D130-R132 PolarHBondContact OD1-N 3.42Å; D130-R132 WeakPolarHBondContact OD2-CD 3.25Å; D130-R132 WeakPolarHBondContact OD2-CG 3.2Å; D130-R132 IonicContact OD2-CZ 3.09Å; D130-R132 IonicContact OD2-NE 3.24Å; D130-R132 PolarHBondContact OD2-NE 3.33Å; D130-R132 IonicContact OD2-NH1 2.74Å; D130-R132 PolarHBondContact OD2-NH1 2.92Å
131	G	88.6	Confident	96.2	Very high	20 Å²	20	43 Å²	43	21%	0.206	22%	0.217	C	C	.	.	S	Bend	trans	70.7	10.5	-179.5	0	0	0	0	0	114.6	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.3Å; G128-G131 PolarHBondContact O-N 3.43Å; P129-G131 PolarHBondContact O-N 3.43Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.9Å; G131-R193 PolarHBondContact O-NH2 2.95Å
132	R	93.6	Very high	96.2	Very high	168 Å²	168	42.2 Å²	42.2	63%	0.634	21%	0.214	S	C	*	.	S	Bend	trans	-90.8	156.4	177.9	-59.9	-176.1	-170.5	146.7	-4.1	111.7	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.34Å; G128-R132 PolarHBondContact N-O 3.26Å; D130-R132 VanDerWaalsContact C-N 3.25Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 WeakPolarHBondContact OD1-CG 3.48Å; D130-R132 PolarHBondContact OD1-N 3.42Å; D130-R132 WeakPolarHBondContact OD2-CD 3.25Å; D130-R132 WeakPolarHBondContact OD2-CG 3.2Å; D130-R132 IonicContact OD2-CZ 3.09Å; D130-R132 IonicContact OD2-NE 3.24Å; D130-R132 PolarHBondContact OD2-NE 3.33Å; D130-R132 IonicContact OD2-NH1 2.74Å; D130-R132 PolarHBondContact OD2-NH1 2.92Å; R132-L134 PolarHBondContact O-N 3.01Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.6	Very high	96.1	Very high	48 Å²	48	44 Å²	44	25%	0.251	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	116.8	174.1	-173.6	73.4	0	0	0	110.3	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 VanDerWaalsContact CD1-O 3.25Å; L133-R135 WeakPolarHBondContact CD1-O 3.22Å; L133-L154 HydrophobicContact CD2-CD1 4.07Å; L133-E185 HydrophobicContact CD2-CB 4.49Å; L133-E185 HydrophobicContact CD2-CG 3.79Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.13Å
134	L	96.1	Very high	96.1	Very high	122 Å²	122	45.5 Å²	45.5	64%	0.639	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88	-43.7	169.7	178.5	62.8	0	0	0	110.2	D126 R132	D126-L134 PolarHBondContact O-N 3.4Å; R132-L134 PolarHBondContact O-N 3.01Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.6	Very high	96.1	Very high	90 Å²	90	53.2 Å²	53.2	34%	0.34	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	144.6	-178	-171.1	165.6	174.4	127.6	9.5	111.6	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.1Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.2Å; D126-R135 PolarHBondContact O-N 3.08Å; L133-R135 VanDerWaalsContact CD1-O 3.25Å; L133-R135 WeakPolarHBondContact CD1-O 3.22Å; R135-Y137 HydrophobicContact CB-CE2 4.1Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.27Å; R135-Y137 HydrophobicContact CG-CD2 4.31Å; R135-Y137 HydrophobicContact CG-CE1 4.48Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.13Å; R135-E152 VanDerWaalsContact CZ-CD 3.47Å; R135-E152 IonicContact CZ-OE1 3.87Å; R135-E152 IonicContact NH1-OE1 2.76Å; R135-E152 PolarHBondContact NH1-OE1 2.77Å; R135-E152 IonicContact NH1-OE2 3.73Å; R135-E152 VanDerWaalsContact NH2-CD 3.35Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.02Å; R135-E152 PolarHBondContact NH2-OE1 2.9Å
136	G	98	Very high	96.1	Very high	7 Å²	7	59 Å²	59	7%	0.072	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	154.1	170.1	0	0	0	0	0	111.3	G124	G124-G136 CarbonylContact O-C 3.54Å
137	Y	98.2	Very high	96.1	Very high	41 Å²	41	58.3 Å²	58.3	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138	-177	-61.4	-98.6	0	0	0	111.3	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact CZ-CE2 3.49Å; R30-Y137 PolarHBondContact NH2-OH 2.78Å; M122-Y137 HydrophobicContact CE-CD1 3.84Å; M122-Y137 HydrophobicContact CE-CG 4.08Å; Y123-Y137 VanDerWaalsContact CA-O 3.23Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 WeakPolarHBondContact CB-O 3.2Å; G124-Y137 PolarHBondContact N-O 3.44Å; G124-Y137 PolarHBondContact O-N 3.02Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 PolarHBondContact OD2-OH 3.3Å; R135-Y137 HydrophobicContact CB-CE2 4.1Å; R135-Y137 VanDerWaalsContact CD-OH 3.28Å; R135-Y137 WeakPolarHBondContact CD-OH 3.27Å; R135-Y137 HydrophobicContact CG-CD2 4.31Å; R135-Y137 HydrophobicContact CG-CE1 4.48Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.13Å
138	D	98.4	Very high	96.2	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	113.6	159.3	171.1	-1.5	0	0	0	105.9	W121 A149 L150 W157 W180	W121-D138 PolarHBondContact NE1-OD1 3.41Å; D138-A149 CarbonylContact O-C 3.51Å; D138-A149 WeakPolarHBondContact O-CA 3.49Å; D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.19Å; D138-L150 PolarHBondContact O-N 2.99Å; D138-W157 WeakPolarHBondContact OD2-CH2 3.35Å; D138-W180 HydrophobicContact CB-CD2 4.45Å; D138-W180 PolarHBondContact OD2-NE1 2.86Å
139	Q	98.5	Very high	96.5	Very high	75 Å²	75	59.4 Å²	59.4	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	129.4	179.3	58.2	-175.7	91.5	0	0	112	M122 I148 A149	M122-Q139 HydrophobicContact CB-CG 4.15Å; M122-Q139 HydrophobicContact CE-CG 3.88Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 2.78Å; Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.81Å
140	S	98.6	Very high	97	Very high	15 Å²	15	55.8 Å²	55.8	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.3	178.9	-61.7	0	0	0	0	111.4	Q120 W121 Y147 I148	Q120-S140 CarbonylContact O-C 3.6Å; Q120-S140 WeakPolarHBondContact O-CA 3.3Å; W121-S140 VanDerWaalsContact CD1-OG 3.31Å; S140-Y147 WeakPolarHBondContact O-CA 3.3Å; S140-Y147 WeakPolarHBondContact O-CB 3.28Å; S140-Y147 PolarHBondContact O-N 3.4Å; S140-I148 PolarHBondContact N-O 2.94Å; S140-I148 PolarHBondContact O-N 3.44Å
141	A	98.8	Very high	97.5	Very high	18 Å²	18	53.4 Å²	53.4	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.3	174.9	0	0	0	0	0	110.9	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.38Å; Q120-A141 PolarHBondContact O-N 2.87Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.39Å
142	Y	98.8	Very high	97.9	Very high	12 Å²	12	59.1 Å²	59.1	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.6	179.5	-173	-123.1	0	0	0	111.1	L102 L105 R106 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.22Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.83Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.39Å; L105-Y142 HydrophobicContact CD1-CD2 3.64Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; R106-Y142 PolarHBondContact N-OH 2.81Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 3.33Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.47Å; H117-Y142 VanDerWaalsContact CG-OH 3.28Å; H117-Y142 PolarHBondContact ND1-OH 2.76Å; T118-Y142 CarbonylContact O-C 3.53Å; T118-Y142 WeakPolarHBondContact O-CA 3.43Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.49Å; L119-Y142 HydrophobicContact CB-CD2 4.46Å; Y142-G144 PolarHBondContact O-N 3.43Å; Y142-G144 VanDerWaalsContact O-N 3.13Å; Y142-K145 PolarHBondContact N-O 2.96Å; Y142-K145 PolarHBondContact O-N 3.1Å
143	D	98.2	Very high	98.1	Very high	61 Å²	61	54.6 Å²	54.6	33%	0.326	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	39.5	-173.9	-65.3	-20.6	0	0	0	113.2	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.24Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.08Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.11Å; H117-D143 IonicContact CE1-OD2 3.57Å; H117-D143 IonicContact CG-OD1 3.52Å; H117-D143 IonicContact CG-OD2 3.78Å; H117-D143 IonicContact ND1-OD1 2.68Å; H117-D143 PolarHBondContact ND1-OD1 2.87Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 3.19Å; T118-D143 PolarHBondContact N-OD1 2.87Å; T118-D143 PolarHBondContact O-N 2.81Å
144	G	97.4	Very high	98.1	Very high	59 Å²	59	52.8 Å²	52.8	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	16	178.3	0	0	0	0	0	115.7	Y142	Y142-G144 PolarHBondContact O-N 3.43Å; Y142-G144 VanDerWaalsContact O-N 3.13Å
145	K	98.5	Very high	98.2	Very high	161 Å²	161	54.8 Å²	54.8	70%	0.7	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.2	178.2	-61	176.3	-176	174.5	0	111.1	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.39Å; Y142-K145 PolarHBondContact N-O 2.96Å; Y142-K145 PolarHBondContact O-N 3.1Å; K145-Y147 PolarHBondContact O-N 3.11Å
146	D	98.7	Very high	98.3	Very high	121 Å²	121	52.6 Å²	52.6	65%	0.647	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	137.3	174.8	-60.4	-39.7	0	0	0	111.3	A160	D146-A160 HydrophobicContact CB-CB 4.35Å; D146-A160 WeakPolarHBondContact O-CB 3.13Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-63	178	-179.9	-112.5	0	0	0	110.1	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.26Å; L105-Y147 HydrophobicContact CD2-CD2 4.15Å; L105-Y147 HydrophobicContact CD2-CE1 3.68Å; L105-Y147 HydrophobicContact CD2-CE2 3.55Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; S140-Y147 WeakPolarHBondContact O-CA 3.3Å; S140-Y147 WeakPolarHBondContact O-CB 3.28Å; S140-Y147 PolarHBondContact O-N 3.4Å; K145-Y147 PolarHBondContact O-N 3.11Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.65Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.79Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 VanDerWaalsContact CE2-CA 3.42Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.34Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 3.46Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.4	178.3	-164.3	170	0	0	0	110.5	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.37Å; S140-I148 PolarHBondContact N-O 2.94Å; S140-I148 PolarHBondContact O-N 3.44Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.33Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 WeakPolarHBondContact CA-O 3.46Å; I148-T167 HydrophobicContact CD1-CG2 4.28Å; I148-Q168 HydrophobicContact CD1-CB 3.85Å; I148-W171 HydrophobicContact CD1-CE3 3.87Å; I148-W171 HydrophobicContact CD1-CZ3 4.14Å; I148-W171 HydrophobicContact CG2-CE3 4.35Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.56Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	55.5 Å²	55.5	26%	0.256	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.9	176.7	0	0	0	0	0	111.6	D138 Q139 W157 T158	D138-A149 CarbonylContact O-C 3.51Å; D138-A149 WeakPolarHBondContact O-CA 3.49Å; Q139-A149 HydrophobicContact CB-CB 3.81Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; A149-T158 PolarHBondContact N-O 2.74Å; A149-T158 PolarHBondContact O-N 3.34Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.5	168.3	-174.9	65.2	0	0	0	108.7	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.19Å; D138-L150 PolarHBondContact O-N 2.99Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.62Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.22Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.12Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; L150-A177 HydrophobicContact CD1-CB 3.88Å; L150-W180 HydrophobicContact CD2-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.3	Very high	44 Å²	44	56.7 Å²	56.7	24%	0.235	32%	0.315	C	S	.	.			trans	-76.4	163.4	180	-65.7	-27.7	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.23Å; N151-L154 PolarHBondContact O-N 3.47Å; N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 PolarHBondContact N-O 2.96Å; N151-S156 PolarHBondContact ND2-O 2.68Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; N151-T158 PolarHBondContact ND2-OG1 2.7Å; N151-T158 WeakPolarHBondContact OD1-CB 2.98Å; N151-T158 PolarHBondContact OD1-N 3.11Å; N151-T158 PolarHBondContact OD1-OG1 3.38Å
152	E	97.4	Very high	98.3	Very high	140 Å²	140	61.1 Å²	61.1	65%	0.654	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.6	-178.8	-62.2	176.5	-162	0	0	114	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.47Å; R135-E152 IonicContact CZ-OE1 3.87Å; R135-E152 IonicContact NH1-OE1 2.76Å; R135-E152 PolarHBondContact NH1-OE1 2.77Å; R135-E152 IonicContact NH1-OE2 3.73Å; R135-E152 VanDerWaalsContact NH2-CD 3.35Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.02Å; R135-E152 PolarHBondContact NH2-OE1 2.9Å; E152-L154 PolarHBondContact O-N 2.88Å
153	D	97.3	Very high	98.3	Very high	73 Å²	73	60.8 Å²	60.8	39%	0.39	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.4	172.4	71.2	-2.2	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.23Å; D153-R155 HydrophobicContact CB-CB 4.5Å; D153-R155 VanDerWaalsContact O-CD 3.32Å; D153-R155 WeakPolarHBondContact O-CD 3.4Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.32Å; D153-R155 PolarHBondContact O-N 3.24Å; D153-R155 PolarHBondContact OD1-N 3.24Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 2.91Å; D153-S156 WeakPolarHBondContact OD2-CB 3.45Å; D153-S156 PolarHBondContact OD2-N 2.67Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154	L	97.9	Very high	98.3	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	33%	0.325	C	S	.	.	S	Bend	trans	51.7	32.9	-172.7	-54.3	-178.6	0	0	0	113.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.07Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; N151-L154 PolarHBondContact O-N 3.47Å; E152-L154 PolarHBondContact O-N 2.88Å; L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-R181 WeakPolarHBondContact O-CD 3.44Å; L154-L184 HydrophobicContact CD1-CB 4.47Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.3Å
155	R	97.6	Very high	98.3	Very high	164 Å²	164	58.4 Å²	58.4	62%	0.619	31%	0.311	S	S	*	.	S	Bend	trans	-139.6	-33.2	-173.2	-68.2	157.4	-172.3	-101.8	3.1	113.6	D153	D153-R155 HydrophobicContact CB-CB 4.5Å; D153-R155 VanDerWaalsContact O-CD 3.32Å; D153-R155 WeakPolarHBondContact O-CD 3.4Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.32Å; D153-R155 PolarHBondContact O-N 3.24Å; D153-R155 PolarHBondContact OD1-N 3.24Å
156	S	97.9	Very high	98.3	Very high	43 Å²	43	53.5 Å²	53.5	30%	0.301	29%	0.292	S	S	.	.			trans	-115.5	160.7	-177.7	62.6	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 PolarHBondContact N-O 2.96Å; N151-S156 PolarHBondContact ND2-O 2.68Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 2.91Å; D153-S156 WeakPolarHBondContact OD2-CB 3.45Å; D153-S156 PolarHBondContact OD2-N 2.67Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157	W	98.7	Very high	98.3	Very high	11 Å²	11	48.6 Å²	48.6	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.8	-177.7	-59.4	94	0	0	0	111	D138 I148 A149 L150 Q168 W171 E176 A177	D138-W157 WeakPolarHBondContact OD2-CH2 3.35Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.33Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.62Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.22Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.12Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.85Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.86Å; W157-W171 HydrophobicContact CE3-CZ3 3.86Å; W157-W171 AromaticContact CH2-CE3 3.57Å; W157-W171 HydrophobicContact CH2-CE3 3.57Å; W157-W171 AromaticContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.7Å; W157-W171 HydrophobicContact CZ2-CE3 3.7Å; W157-W171 HydrophobicContact CZ2-CZ3 4.25Å; W157-W171 AromaticContact CZ3-CE3 3.6Å; W157-W171 HydrophobicContact CZ3-CE3 3.6Å; W157-W171 AromaticContact CZ3-CZ3 3.4Å; W157-W171 HydrophobicContact CZ3-CZ3 3.4Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.4Å; W157-E176 HydrophobicContact CZ2-CB 4.2Å; W157-A177 HydrophobicContact CZ2-CB 4.1Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	50 Å²	50	49%	0.485	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.2	165.4	-67.5	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.46Å; A149-T158 PolarHBondContact N-O 2.74Å; A149-T158 PolarHBondContact O-N 3.34Å; N151-T158 PolarHBondContact ND2-OG1 2.7Å; N151-T158 WeakPolarHBondContact OD1-CB 2.98Å; N151-T158 PolarHBondContact OD1-N 3.11Å; N151-T158 PolarHBondContact OD1-OG1 3.38Å
159	A	98.7	Very high	98.3	Very high	21 Å²	21	56.7 Å²	56.7	17%	0.174	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.8	175.1	0	0	0	0	0	110.4	D161 A164 Q165 Q168	A159-D161 PolarHBondContact O-N 3.39Å; A159-A164 HydrophobicContact CB-CB 3.64Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.32Å; A159-Q168 VanDerWaalsContact CB-OE1 3.25Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	60.6 Å²	60.6	50%	0.504	31%	0.309	S	S	.	.	S	Bend	trans	-71	-30.4	-175.4	0	0	0	0	0	113.6	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.35Å; D146-A160 WeakPolarHBondContact O-CB 3.13Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.65Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	62.8 Å²	62.8	28%	0.283	32%	0.317	S	S	.	.	S	Bend	trans	-148.7	-174	-178.4	70.4	31	0	0	0	114.1	Y109 A159 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.21Å; Y109-D161 PolarHBondContact OH-OD2 3.4Å; A159-D161 PolarHBondContact O-N 3.39Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.19Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 3.47Å; D161-A164 PolarHBondContact O-N 3.45Å; D161-A164 PolarHBondContact OD1-N 2.82Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 3.45Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	65.2 Å²	65.2	68%	0.681	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.9	-178.9	51.4	0	0	0	0	114.5
163	A	98	Very high	98.3	Very high	6 Å²	6	62.6 Å²	62.6	5%	0.05	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-35.8	172.2	0	0	0	0	0	111.1	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CD1-CB 4.22Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 4.03Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.79Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.19Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 3.47Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-I166 WeakPolarHBondContact O-CB 3.3Å; A163-I166 PolarHBondContact O-N 3.24Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-38.6	170.4	0	0	0	0	0	112.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 VanDerWaalsContact CE2-CA 3.42Å; Y147-A164 HydrophobicContact CE2-CB 3.69Å; Y147-A164 HydrophobicContact CG-CB 4.34Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; A159-A164 HydrophobicContact CB-CB 3.64Å; D161-A164 PolarHBondContact O-N 3.45Å; D161-A164 PolarHBondContact OD1-N 2.82Å; A164-I166 PolarHBondContact O-N 3.03Å; A164-I166 VanDerWaalsContact O-N 3.12Å; A164-T167 WeakPolarHBondContact O-CA 3.37Å; A164-T167 PolarHBondContact O-N 3.5Å; A164-Q168 PolarHBondContact O-N 3.35Å
165	Q	98.7	Very high	98.3	Very high	69 Å²	69	68.2 Å²	68.2	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-58.6	-23.8	173	-73.5	175.1	24.7	0	0	113.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 3.45Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-R169 WeakPolarHBondContact O-CD 3.38Å; Q165-R169 VanDerWaalsContact O-CG 3.27Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.12Å
166	I	98.3	Very high	98.3	Very high	59 Å²	59	62.9 Å²	62.9	30%	0.303	34%	0.337	S	S	.	.	H	α-helix	trans	-71.8	-33.9	174.2	-55.7	171.9	0	0	0	110.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CE1-CG2 3.94Å; Y108-I166 HydrophobicContact CE2-CB 4.17Å; Y108-I166 HydrophobicContact CE2-CG2 4.14Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; A163-I166 WeakPolarHBondContact O-CB 3.3Å; A163-I166 PolarHBondContact O-N 3.24Å; A164-I166 PolarHBondContact O-N 3.03Å; A164-I166 VanDerWaalsContact O-N 3.12Å; I166-K170 WeakPolarHBondContact O-CD 3.48Å; I166-K170 VanDerWaalsContact O-CG 3.3Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å
167	T	98.3	Very high	98.3	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.104	33%	0.325	C	S	.	.	H	α-helix	trans	-77.7	-45.9	174.9	-66.1	0	0	0	0	110.8	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 3.46Å; I148-T167 HydrophobicContact CD1-CG2 4.28Å; A164-T167 WeakPolarHBondContact O-CA 3.37Å; A164-T167 PolarHBondContact O-N 3.5Å; T167-R169 PolarHBondContact O-N 3.24Å; T167-K170 WeakPolarHBondContact O-CA 3.44Å; T167-K170 WeakPolarHBondContact O-CB 3.33Å; T167-K170 PolarHBondContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.67Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.29Å; T167-W171 HydrophobicContact CG2-CZ2 3.86Å; T167-W171 HydrophobicContact CG2-CZ3 4.4Å; T167-W171 PolarHBondContact O-N 2.93Å
168	Q	98.6	Very high	98.3	Very high	38 Å²	38	66.1 Å²	66.1	18%	0.178	35%	0.349	C	S	.	.	H	α-helix	trans	-47.7	-55.9	174.6	174.2	172.5	9.2	0	0	112.1	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.85Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.85Å; A159-Q168 HydrophobicContact CB-CB 4.32Å; A159-Q168 VanDerWaalsContact CB-OE1 3.25Å; A164-Q168 PolarHBondContact O-N 3.35Å; Q168-K170 PolarHBondContact O-N 3.24Å; Q168-K170 VanDerWaalsContact O-N 3.14Å; Q168-W171 PolarHBondContact O-N 3.44Å; Q168-E172 VanDerWaalsContact CG-CD 3.45Å; Q168-E172 HydrophobicContact CG-CG 4.2Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.38Å; Q168-E172 PolarHBondContact NE2-OE1 2.95Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 2.95Å
169	R	98.6	Very high	98.2	Very high	146 Å²	146	68 Å²	68	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-61.5	-27.2	-178.4	-66.6	168.5	-162.1	154.1	9.7	113.4	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.38Å; Q165-R169 VanDerWaalsContact O-CG 3.27Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.24Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.84Å
170	K	98.1	Very high	98.2	Very high	112 Å²	112	69.5 Å²	69.5	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-77.2	-42.4	175	-69.1	170.6	-173.9	179.6	0	110.9	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.93Å; I166-K170 WeakPolarHBondContact O-CD 3.48Å; I166-K170 VanDerWaalsContact O-CG 3.3Å; I166-K170 WeakPolarHBondContact O-CG 3.43Å; T167-K170 WeakPolarHBondContact O-CA 3.44Å; T167-K170 WeakPolarHBondContact O-CB 3.33Å; T167-K170 PolarHBondContact O-N 3.11Å; Q168-K170 PolarHBondContact O-N 3.24Å; Q168-K170 VanDerWaalsContact O-N 3.14Å; K170-A173 PolarHBondContact O-N 2.98Å; K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.26Å; K170-A174 PolarHBondContact O-N 3.19Å
171	W	98.3	Very high	98.2	Very high	61 Å²	61	70.1 Å²	70.1	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-70.3	-34.2	178.5	-71.9	-2.5	0	0	0	113	I148 W157 T167 Q168 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.87Å; I148-W171 HydrophobicContact CD1-CZ3 4.14Å; I148-W171 HydrophobicContact CG2-CE3 4.35Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.56Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.86Å; W157-W171 HydrophobicContact CE3-CZ3 3.86Å; W157-W171 AromaticContact CH2-CE3 3.57Å; W157-W171 HydrophobicContact CH2-CE3 3.57Å; W157-W171 AromaticContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.7Å; W157-W171 HydrophobicContact CZ2-CE3 3.7Å; W157-W171 HydrophobicContact CZ2-CZ3 4.25Å; W157-W171 AromaticContact CZ3-CE3 3.6Å; W157-W171 HydrophobicContact CZ3-CE3 3.6Å; W157-W171 AromaticContact CZ3-CZ3 3.4Å; W157-W171 HydrophobicContact CZ3-CZ3 3.4Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.4Å; T167-W171 HydrophobicContact CG2-CD2 3.67Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.29Å; T167-W171 HydrophobicContact CG2-CZ2 3.86Å; T167-W171 HydrophobicContact CG2-CZ3 4.4Å; T167-W171 PolarHBondContact O-N 2.93Å; Q168-W171 PolarHBondContact O-N 3.44Å; W171-R175 WeakPolarHBondContact O-CA 3.5Å; W171-R175 PolarHBondContact O-N 2.87Å; W171-E176 HydrophobicContact CB-CB 4.09Å; W171-E176 HydrophobicContact CB-CG 3.78Å; W171-E176 HydrophobicContact CG-CB 4.23Å; W171-E176 HydrophobicContact CG-CG 3.75Å; W171-E176 PolarHBondContact O-N 3.07Å
172	E	98.4	Very high	98.2	Very high	95 Å²	95	70.8 Å²	70.8	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-47.3	169.6	-71.1	167.6	165	0	0	111.2	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.45Å; Q168-E172 HydrophobicContact CG-CG 4.2Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.38Å; Q168-E172 PolarHBondContact NE2-OE1 2.95Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 2.95Å; E172-A174 VanDerWaalsContact C-N 3.32Å; E172-A174 PolarHBondContact O-N 2.67Å; E172-R175 PolarHBondContact O-N 3.1Å
173	A	98.4	Very high	98.2	Very high	84 Å²	84	67.8 Å²	67.8	69%	0.694	33%	0.332	S	S	*	.	H	α-helix	trans	-65.5	-32.7	177.4	0	0	0	0	0	113.4	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.84Å; K170-A173 PolarHBondContact O-N 2.98Å
174	A	98.1	Very high	98.2	Very high	51 Å²	51	67.5 Å²	67.5	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-88.3	-4.7	175.9	0	0	0	0	0	114	K170 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.26Å; K170-A174 PolarHBondContact O-N 3.19Å; E172-A174 VanDerWaalsContact C-N 3.32Å; E172-A174 PolarHBondContact O-N 2.67Å; A174-E176 VanDerWaalsContact C-N 3.31Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 2.89Å
175	R	97.8	Very high	98.2	Very high	152 Å²	152	71.7 Å²	71.7	57%	0.574	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	36.4	-177.3	-59.9	164.1	161.4	-109.8	-4.3	114.1	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.5Å; W171-R175 PolarHBondContact O-N 2.87Å; E172-R175 PolarHBondContact O-N 3.1Å; R175-A177 PolarHBondContact O-N 2.82Å; R175-A177 VanDerWaalsContact O-N 3.13Å; R175-E178 HydrophobicContact CB-CB 4.42Å; R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE2 3.42Å; R175-E178 IonicContact CZ-OE1 2.65Å; R175-E178 IonicContact CZ-OE2 3.22Å; R175-E178 IonicContact NH1-OE1 3.55Å; R175-E178 PolarHBondContact NH1-OE1 2.87Å; R175-E178 IonicContact NH1-OE2 2.67Å; R175-E178 PolarHBondContact NH1-OE2 2.85Å; R175-E178 WeakPolarHBondContact O-CB 3.47Å; R175-E178 PolarHBondContact O-N 2.96Å
176	E	97.9	Very high	98.2	Very high	52 Å²	52	69.5 Å²	69.5	24%	0.243	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-31.4	-176.6	-54.3	-72.7	-166.1	0	0	112.3	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.2Å; W171-E176 HydrophobicContact CB-CB 4.09Å; W171-E176 HydrophobicContact CB-CG 3.78Å; W171-E176 HydrophobicContact CG-CB 4.23Å; W171-E176 HydrophobicContact CG-CG 3.75Å; W171-E176 PolarHBondContact O-N 3.07Å; A174-E176 VanDerWaalsContact C-N 3.31Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 2.89Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 2.84Å; E176-Q179 WeakPolarHBondContact O-CB 3.38Å; E176-Q179 PolarHBondContact O-N 3.22Å; E176-Q179 VanDerWaalsContact O-N 3.08Å; E176-Q179 PolarHBondContact OE2-NE2 3.3Å; E176-W180 PolarHBondContact O-N 3.45Å
177	A	98.3	Very high	98.2	Very high	7 Å²	7	69.2 Å²	69.2	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-31.3	174.7	0	0	0	0	0	113.1	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.88Å; W157-A177 HydrophobicContact CZ2-CB 4.1Å; R175-A177 PolarHBondContact O-N 2.82Å; R175-A177 VanDerWaalsContact O-N 3.13Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 2.81Å
178	E	98	Very high	98.2	Very high	115 Å²	115	68.4 Å²	68.4	54%	0.537	34%	0.341	S	S	.	.	H	α-helix	trans	-67.6	-34.6	174.9	-63.2	-178.3	171.1	0	0	111.1	R175 E176 A182	R175-E178 HydrophobicContact CB-CB 4.42Å; R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE2 3.42Å; R175-E178 IonicContact CZ-OE1 2.65Å; R175-E178 IonicContact CZ-OE2 3.22Å; R175-E178 IonicContact NH1-OE1 3.55Å; R175-E178 PolarHBondContact NH1-OE1 2.87Å; R175-E178 IonicContact NH1-OE2 2.67Å; R175-E178 PolarHBondContact NH1-OE2 2.85Å; R175-E178 WeakPolarHBondContact O-CB 3.47Å; R175-E178 PolarHBondContact O-N 2.96Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 2.84Å; E178-A182 WeakPolarHBondContact O-CB 3.5Å; E178-A182 PolarHBondContact O-N 3.37Å
179	Q	97.5	Very high	98.1	Very high	119 Å²	119	67 Å²	67	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-73.3	-45.8	175.5	-63.5	175.9	69.9	0	0	111.5	E176 A177 A182 Y183	E176-Q179 WeakPolarHBondContact O-CB 3.38Å; E176-Q179 PolarHBondContact O-N 3.22Å; E176-Q179 VanDerWaalsContact O-N 3.08Å; E176-Q179 PolarHBondContact OE2-NE2 3.3Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; Q179-A182 PolarHBondContact O-N 2.72Å; Q179-Y183 PolarHBondContact O-N 2.94Å
180	W	98.1	Very high	98.1	Very high	51 Å²	51	65.8 Å²	65.8	19%	0.193	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-43.9	177.2	-82.2	107	0	0	0	112.4	W121 Y123 D138 L150 E176 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.48Å; W121-W180 HydrophobicContact CH2-CH2 3.48Å; W121-W180 VanDerWaalsContact CH2-CH2 3.48Å; W121-W180 AromaticContact CH2-CZ2 3.52Å; W121-W180 HydrophobicContact CH2-CZ2 3.52Å; W121-W180 AromaticContact CZ2-CH2 3.41Å; W121-W180 HydrophobicContact CZ2-CH2 3.41Å; W121-W180 VanDerWaalsContact CZ2-CH2 3.41Å; W121-W180 AromaticContact CZ2-CZ2 3.3Å; W121-W180 HydrophobicContact CZ2-CZ2 3.3Å; W121-W180 HydrophobicContact CZ2-CZ3 4.34Å; Y123-W180 HydrophobicContact CD2-CZ3 4.19Å; Y123-W180 HydrophobicContact CG-CH2 4.39Å; Y123-W180 HydrophobicContact CG-CZ3 4.2Å; D138-W180 HydrophobicContact CB-CD2 4.45Å; D138-W180 PolarHBondContact OD2-NE1 2.86Å; L150-W180 HydrophobicContact CD2-CB 4.01Å; E176-W180 PolarHBondContact O-N 3.45Å; W180-A182 VanDerWaalsContact C-N 3.31Å; W180-A182 PolarHBondContact O-N 2.85Å; W180-Y183 AromaticContact CE3-CD1 3.86Å; W180-Y183 HydrophobicContact CE3-CD1 3.86Å; W180-Y183 AromaticContact CZ3-CD1 3.56Å; W180-Y183 HydrophobicContact CZ3-CD1 3.56Å; W180-Y183 AromaticContact CZ3-CE1 3.99Å; W180-Y183 HydrophobicContact CZ3-CE1 3.99Å; W180-Y183 HydrophobicContact CZ3-CG 4.29Å; W180-Y183 PolarHBondContact O-N 2.86Å; W180-L184 WeakPolarHBondContact O-CB 3.4Å; W180-L184 WeakPolarHBondContact O-CG 3.37Å; W180-L184 PolarHBondContact O-N 2.99Å
181	R	98.3	Very high	98.1	Very high	75 Å²	75	62.8 Å²	62.8	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-40.7	174	-172.4	168.8	175.1	-103.4	-20.4	112.3	L154 A177 L184 E185	L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-R181 WeakPolarHBondContact O-CD 3.44Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 2.81Å; R181-L184 PolarHBondContact O-N 2.96Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 IonicContact CZ-OE1 2.73Å; R181-E185 IonicContact CZ-OE2 3.65Å; R181-E185 VanDerWaalsContact CZ-OE2 3.24Å; R181-E185 VanDerWaalsContact NE-CD 3.35Å; R181-E185 IonicContact NE-OE1 3.32Å; R181-E185 PolarHBondContact NE-OE1 2.94Å; R181-E185 IonicContact NE-OE2 2.73Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 3.54Å; R181-E185 PolarHBondContact NH2-OE1 2.95Å; R181-E185 IonicContact NH2-OE2 2.9Å; R181-E185 PolarHBondContact NH2-OE2 2.9Å; R181-E185 VanDerWaalsContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CB 3.5Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 3.44Å
182	A	98.4	Very high	98.1	Very high	66 Å²	66	59.9 Å²	59.9	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-37.4	176.2	0	0	0	0	0	113.2	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.5Å; E178-A182 PolarHBondContact O-N 3.37Å; Q179-A182 PolarHBondContact O-N 2.72Å; W180-A182 VanDerWaalsContact C-N 3.31Å; W180-A182 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 2.88Å
183	Y	98.2	Very high	98	Very high	48 Å²	48	61.2 Å²	61.2	19%	0.188	31%	0.311	C	S	.	.	I	π-helix	trans	-66.5	-46	171.9	170.3	-102.2	0	0	0	111.9	Y123 Q179 W180 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CE2-CE1 4.16Å; Q179-Y183 PolarHBondContact O-N 2.94Å; W180-Y183 AromaticContact CE3-CD1 3.86Å; W180-Y183 HydrophobicContact CE3-CD1 3.86Å; W180-Y183 AromaticContact CZ3-CD1 3.56Å; W180-Y183 HydrophobicContact CZ3-CD1 3.56Å; W180-Y183 AromaticContact CZ3-CE1 3.99Å; W180-Y183 HydrophobicContact CZ3-CE1 3.99Å; W180-Y183 HydrophobicContact CZ3-CG 4.29Å; W180-Y183 PolarHBondContact O-N 2.86Å; Y183-G186 CarbonylContact O-C 3.6Å; Y183-T187 HydrophobicContact CD2-CG2 4.01Å; Y183-T187 HydrophobicContact CE2-CG2 3.91Å; Y183-T187 PolarHBondContact O-N 2.84Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 HydrophobicContact CE2-CB 4.47Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.04Å
184	L	98.5	Very high	97.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-72.2	-41.2	-174.3	-68.8	171	0	0	0	113.1	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.45Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD1-CB 4.47Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; W180-L184 WeakPolarHBondContact O-CB 3.4Å; W180-L184 WeakPolarHBondContact O-CG 3.37Å; W180-L184 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 2.96Å; L184-V189 WeakPolarHBondContact O-CG2 3.43Å
185	E	97.9	Very high	97.9	Very high	88 Å²	88	60.5 Å²	60.5	41%	0.411	28%	0.279	S	S	.	.	I	π-helix	trans	-77.5	-23.3	177.4	-67.1	-177.8	164.2	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.49Å; L133-E185 HydrophobicContact CD2-CG 3.79Å; L154-E185 HydrophobicContact CD1-CG 4.3Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 IonicContact CZ-OE1 2.73Å; R181-E185 IonicContact CZ-OE2 3.65Å; R181-E185 VanDerWaalsContact CZ-OE2 3.24Å; R181-E185 VanDerWaalsContact NE-CD 3.35Å; R181-E185 IonicContact NE-OE1 3.32Å; R181-E185 PolarHBondContact NE-OE1 2.94Å; R181-E185 IonicContact NE-OE2 2.73Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 3.54Å; R181-E185 PolarHBondContact NH2-OE1 2.95Å; R181-E185 IonicContact NH2-OE2 2.9Å; R181-E185 PolarHBondContact NH2-OE2 2.9Å; R181-E185 VanDerWaalsContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CB 3.5Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 3.44Å
186	G	97.9	Very high	97.8	Very high	23 Å²	23	53.9 Å²	53.9	24%	0.237	26%	0.256	C	S	.	.	I	π-helix	trans	-110.8	-93.2	-178.8	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.88Å; Y183-G186 CarbonylContact O-C 3.6Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.89Å; G186-C188 VanDerWaalsContact O-N 3.15Å; G186-V189 WeakPolarHBondContact O-CB 3.38Å; G186-V189 PolarHBondContact O-N 3.03Å; G186-E190 WeakPolarHBondContact O-CG 3.16Å; G186-E190 PolarHBondContact O-N 3.05Å
187	T	97.8	Very high	97.7	Very high	54 Å²	54	57 Å²	57	33%	0.331	27%	0.27	S	S	.	.	I	π-helix	trans	-54.4	-37.9	-168.6	-58.3	0	0	0	0	114.1	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.01Å; Y183-T187 HydrophobicContact CE2-CG2 3.91Å; Y183-T187 PolarHBondContact O-N 2.84Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-E190 PolarHBondContact O-N 2.99Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 2.92Å
188	C	98.3	Very high	97.6	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	I	π-helix	trans	-63.2	-48	177.8	-168.5	0	0	0	0	111.4	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.36Å; C125-C188 HydrophobicContact CB-CB 3.86Å; C125-C188 WeakPolarHBondContact CB-SG 3.32Å; C125-C188 PolarHBondContact N-SG 3.37Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.49Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.31Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 HydrophobicContact CE2-CB 4.47Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.04Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.89Å; G186-C188 VanDerWaalsContact O-N 3.15Å; C188-E190 VanDerWaalsContact C-N 3.34Å; C188-E190 PolarHBondContact O-N 3.3Å; C188-W191 PolarHBondContact O-N 2.68Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.1Å
189	V	98.2	Very high	97.4	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-42.1	175.8	178	0	0	0	0	111.5	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.15Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.13Å; L184-V189 WeakPolarHBondContact O-CG2 3.43Å; G186-V189 WeakPolarHBondContact O-CB 3.38Å; G186-V189 PolarHBondContact O-N 3.03Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CB 3.24Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.99Å
190	E	97.9	Very high	97.2	Very high	121 Å²	121	52.3 Å²	52.3	57%	0.565	25%	0.248	S	C	*	.	H	α-helix	trans	-63.1	-47.4	179.4	-69.3	174	154.9	0	0	112.6	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.16Å; G186-E190 PolarHBondContact O-N 3.05Å; T187-E190 PolarHBondContact O-N 2.99Å; C188-E190 VanDerWaalsContact C-N 3.34Å; C188-E190 PolarHBondContact O-N 3.3Å; E190-R194 PolarHBondContact O-N 3.35Å; E190-R194 VanDerWaalsContact O-N 3.12Å
191	W	98	Very high	96.8	Very high	50 Å²	50	58.6 Å²	58.6	19%	0.189	28%	0.279	C	S	.	.	H	α-helix	trans	-70.9	-39.9	179.4	-78.8	97.3	0	0	0	112.5	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.15Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CH2 3.7Å; Y83-W191 HydrophobicContact CD2-CZ2 4.48Å; Y83-W191 AromaticContact CD2-CZ3 3.73Å; Y83-W191 HydrophobicContact CD2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 HydrophobicContact CE2-CH2 4.17Å; Y83-W191 AromaticContact CE2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CZ3 3.8Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 2.92Å; C188-W191 PolarHBondContact O-N 2.68Å; W191-R194 WeakPolarHBondContact O-CB 3.36Å; W191-R194 PolarHBondContact O-N 2.79Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.47Å; W191-Y195 AromaticContact CE3-CZ 3.56Å; W191-Y195 VanDerWaalsContact CE3-OH 3.3Å; W191-Y195 HydrophobicContact CZ3-CE1 4.1Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 2.73Å
192	L	98.1	Very high	96.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-46	175.4	173.7	50.5	0	0	0	111.6	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 3.99Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.29Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.77Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.46Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.1Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 2.93Å; L192-Y195 PolarHBondContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 3.12Å
193	R	96.6	Very high	96	Very high	123 Å²	123	54.5 Å²	54.5	46%	0.464	26%	0.256	S	S	.	.	H	α-helix	trans	-58.8	-40.8	173.7	-72.7	172.9	-178	169.5	1.1	112.7	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.92Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.9Å; G131-R193 PolarHBondContact O-NH2 2.95Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CB 3.24Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.99Å; R193-L196 PolarHBondContact O-N 2.83Å; R193-E197 PolarHBondContact O-N 3.4Å; R193-E197 VanDerWaalsContact O-N 3.17Å
194	R	96.9	Very high	95.5	Very high	118 Å²	118	56.6 Å²	56.6	45%	0.445	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-44.7	175.8	179	179.9	173.7	101.5	-6.4	111.4	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.3Å; E79-R194 IonicContact OE1-CZ 3.64Å; E79-R194 IonicContact OE1-NE 3.71Å; E79-R194 PolarHBondContact OE1-NE 2.66Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 3.47Å; E79-R194 VanDerWaalsContact OE1-NH2 3.09Å; E79-R194 IonicContact OE2-CZ 2.92Å; E79-R194 IonicContact OE2-NE 3.88Å; E79-R194 IonicContact OE2-NH2 3.42Å; E79-R194 PolarHBondContact OE2-NH2 2.8Å; E190-R194 PolarHBondContact O-N 3.35Å; E190-R194 VanDerWaalsContact O-N 3.12Å; W191-R194 WeakPolarHBondContact O-CB 3.36Å; W191-R194 PolarHBondContact O-N 2.79Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 2.93Å; R194-E197 PolarHBondContact O-N 3.16Å; R194-N198 WeakPolarHBondContact O-CB 3.37Å; R194-N198 PolarHBondContact O-N 2.85Å; R194-N198 PolarHBondContact O-OD1 3.48Å
195	Y	97.3	Very high	94.9	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-38.4	177.9	-62	-28.4	0	0	0	112.8	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å; V52-Y195 HydrophobicContact CG2-CD2 3.83Å; V52-Y195 HydrophobicContact CG2-CG 4.39Å; F57-Y195 HydrophobicContact CD2-CE2 4.28Å; F57-Y195 HydrophobicContact CE1-CE2 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.08Å; F57-Y195 HydrophobicContact CE2-CE1 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.42Å; F57-Y195 HydrophobicContact CE2-CE2 3.42Å; F57-Y195 VanDerWaalsContact CE2-CE2 3.42Å; F57-Y195 AromaticContact CE2-CZ 3.66Å; F57-Y195 HydrophobicContact CZ-CD2 4.12Å; F57-Y195 AromaticContact CZ-CE2 3.55Å; F57-Y195 HydrophobicContact CZ-CE2 3.55Å; W75-Y195 HydrophobicContact CE3-CD1 4.26Å; W75-Y195 HydrophobicContact CE3-CG 4.43Å; W75-Y195 HydrophobicContact CH2-CD2 4.44Å; W75-Y195 HydrophobicContact CH2-CG 4.09Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.2Å; W75-Y195 HydrophobicContact CZ3-CE1 4.38Å; W75-Y195 AromaticContact CZ3-CG 3.52Å; W75-Y195 HydrophobicContact CZ3-CG 3.52Å; V76-Y195 HydrophobicContact CG2-CE1 4.31Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.5Å; Y83-Y195 PolarHBondContact OH-OH 2.76Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.47Å; W191-Y195 AromaticContact CE3-CZ 3.56Å; W191-Y195 VanDerWaalsContact CE3-OH 3.3Å; W191-Y195 HydrophobicContact CZ3-CE1 4.1Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 2.73Å; L192-Y195 PolarHBondContact O-N 3.17Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.86Å; Y195-N198 PolarHBondContact O-N 2.75Å; Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 2.88Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	95.6	Very high	94.6	Very high	14 Å²	14	58 Å²	58	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-36.1	175.6	-72.4	166.9	0	0	0	112.9	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.9Å; H27-L196 HydrophobicContact CB-CG 4.36Å; H27-L196 VanDerWaalsContact CG-CD2 3.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å; V52-L196 HydrophobicContact CG1-CD2 4.18Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 3.12Å; R193-L196 PolarHBondContact O-N 2.83Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 2.8Å; L196-K200 VanDerWaalsContact O-N 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.21Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.27Å
197	E	95.4	Very high	94.4	Very high	117 Å²	117	59.5 Å²	59.5	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-78.6	-41.9	174.4	-166.4	63.3	-162.9	0	0	111.7	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.4Å; R193-E197 VanDerWaalsContact O-N 3.17Å; R194-E197 PolarHBondContact O-N 3.16Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.86Å; E197-K200 VanDerWaalsContact CD-NZ 3.3Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 IonicContact OE1-NZ 3.76Å; E197-K200 PolarHBondContact OE1-NZ 2.97Å; E197-K200 IonicContact OE2-NZ 3.61Å; E197-K200 PolarHBondContact OE2-NZ 2.7Å
198	N	96.3	Very high	94.3	Very high	48 Å²	48	62.1 Å²	62.1	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-58	-43.4	174.6	-74.3	6.6	0	0	0	112.3	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.32Å; W75-N198 WeakPolarHBondContact CB-O 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 3.49Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.2Å; Q78-N198 PolarHBondContact NE2-OD1 2.83Å; E79-N198 PolarHBondContact OE1-ND2 2.73Å; R194-N198 WeakPolarHBondContact O-CB 3.37Å; R194-N198 PolarHBondContact O-N 2.85Å; R194-N198 PolarHBondContact O-OD1 3.48Å; Y195-N198 PolarHBondContact O-N 2.75Å
199	G	95	Very high	94.2	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	16	-173.4	0	0	0	0	0	114.1	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.44Å; Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 2.88Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact C-N 3.33Å; G199-E201 PolarHBondContact O-N 3.28Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.35Å; G199-T202 PolarHBondContact O-N 3.24Å; G199-T202 PolarHBondContact O-OG1 2.8Å; G199-L203 PolarHBondContact O-N 2.8Å
200	K	92.5	Very high	94.2	Very high	91 Å²	91	68.4 Å²	68.4	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-46.1	-49.1	-170.6	-171.7	168.6	-154.9	148.2	0	114.5	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 2.8Å; L196-K200 VanDerWaalsContact O-N 3.17Å; E197-K200 VanDerWaalsContact CD-NZ 3.3Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 IonicContact OE1-NZ 3.76Å; E197-K200 PolarHBondContact OE1-NZ 2.97Å; E197-K200 IonicContact OE2-NZ 3.61Å; E197-K200 PolarHBondContact OE2-NZ 2.7Å; K200-T202 PolarHBondContact O-N 2.83Å; K200-T202 VanDerWaalsContact O-N 3.13Å; K200-Q204 HydrophobicContact CG-CB 4.42Å; K200-Q204 HydrophobicContact CG-CG 4.43Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 3.01Å
201	E	89.6	Confident	94.2	Very high	183 Å²	183	64.2 Å²	64.2	86%	0.855	30%	0.296	S	S	*	.	H	α-helix	trans	-62.4	-19.4	179.4	-59.5	-173.8	159.5	0	0	113.8	G199 R205	G199-E201 VanDerWaalsContact C-N 3.33Å; G199-E201 PolarHBondContact O-N 3.28Å; E201-R205 WeakPolarHBondContact O-CD 3.4Å
202	T	89.1	Confident	94.2	Very high	51 Å²	51	65.7 Å²	65.7	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-112.7	-24.9	-176.4	57.1	0	0	0	0	114.9	W75 G199 K200 R205	W75-T202 PolarHBondContact NE1-OG1 2.79Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.35Å; G199-T202 PolarHBondContact O-N 3.24Å; G199-T202 PolarHBondContact O-OG1 2.8Å; K200-T202 PolarHBondContact O-N 2.83Å; K200-T202 VanDerWaalsContact O-N 3.13Å; T202-R205 WeakPolarHBondContact O-CG 3.4Å; T202-R205 PolarHBondContact O-NE 3.13Å
203	L	90.3	Very high	94.2	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-104	-36.1	-176.1	-62.5	173.8	0	0	0	112.8	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.38Å; V52-L203 HydrophobicContact CB-CD2 4.33Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.14Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.75Å; W75-L203 HydrophobicContact CZ2-CD2 4.04Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 4.21Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 2.8Å; L203-R205 VanDerWaalsContact C-N 3.25Å; L203-R205 PolarHBondContact O-N 3.23Å
204	Q	87.5	Confident	94.2	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	30%	0.299	S	S	.	.	S	Bend	trans	-95.7	32.3	177.9	-58	177	32.9	0	0	111.1	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.27Å; K200-Q204 HydrophobicContact CG-CB 4.42Å; K200-Q204 HydrophobicContact CG-CG 4.43Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 3.01Å
205	R	87.8	Confident	94.2	Very high	83 Å²	83	59.5 Å²	59.5	31%	0.313	29%	0.29	S	S	.	.			trans	-113.3	144.9	174.1	67.3	178.4	179.2	140.2	19.6	109	E201 T202 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.4Å; T202-R205 WeakPolarHBondContact O-CG 3.4Å; T202-R205 PolarHBondContact O-NE 3.13Å; L203-R205 VanDerWaalsContact C-N 3.25Å; L203-R205 PolarHBondContact O-N 3.23Å; R205-E207 IonicContact CZ-OE1 2.83Å; R205-E207 IonicContact NH1-OE1 3.36Å; R205-E207 PolarHBondContact NH1-OE1 3.26Å; R205-E207 IonicContact NH2-OE1 2.87Å; R205-E207 PolarHBondContact NH2-OE1 2.84Å; R205-Y233 HydrophobicContact CG-CD1 4.45Å; R205-Y233 WeakPolarHBondContact O-CD1 2.94Å
206	A	91.1	Very high	94.1	Very high	35 Å²	35	63.4 Å²	63.4	29%	0.289	31%	0.308	S	S	.	.			trans	-113.1	127.2	163.3	0	0	0	0	0	109.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.57Å; A206-Y233 VanDerWaalsContact CA-O 3.28Å; A206-Y233 WeakPolarHBondContact CA-O 3.23Å; A206-E288 HydrophobicContact CB-CG 4.45Å
207	E	93.4	Very high	94	Very high	54 Å²	54	67.5 Å²	67.5	25%	0.252	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-96.2	119.3	170.9	-73.8	-162.9	-130.8	0	0	109.5	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 2.83Å; R205-E207 IonicContact NH1-OE1 3.36Å; R205-E207 PolarHBondContact NH1-OE1 3.26Å; R205-E207 IonicContact NH2-OE1 2.87Å; R205-E207 PolarHBondContact NH2-OE1 2.84Å; E207-F232 WeakPolarHBondContact O-CA 3.46Å; E207-F232 VanDerWaalsContact O-CB 3.3Å; E207-F232 WeakPolarHBondContact O-CB 3.37Å; E207-Y233 PolarHBondContact N-O 3.18Å; E207-Y233 PolarHBondContact O-N 2.82Å; E207-H287 PolarHBondContact O-CE1 3.17Å; E207-H287 VanDerWaalsContact O-CE1 3.24Å
208	H	95.1	Very high	93.8	Very high	109 Å²	109	66.2 Å²	66.2	51%	0.505	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-66.5	135.2	-177.2	-61.6	-101.1	0	0	0	111.8	K210 G289	H208-K210 PolarHBondContact O-N 3.14Å; H208-G289 VanDerWaalsContact CA-O 3.3Å; H208-G289 WeakPolarHBondContact CA-O 3.03Å; H208-G289 WeakPolarHBondContact CB-O 3.41Å; H208-G289 PolarHBondContact ND1-O 2.9Å
209	P	97.6	Very high	93.6	Very high	9 Å²	9	66.5 Å²	66.5	6%	0.058	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-66.3	127.5	-179.2	26.6	-34	0	0	0	112.3	T211 A229 F232 I237 V285 H287 G289 L290	P209-T211 HydrophobicContact CB-CG2 4Å; P209-T211 HydrophobicContact CG-CG2 4.27Å; P209-T211 PolarHBondContact O-N 2.83Å; P209-T211 VanDerWaalsContact O-N 3.17Å; P209-A229 HydrophobicContact CB-CB 3.97Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.98Å; P209-F232 HydrophobicContact CB-CG 4.23Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.25Å; P209-V285 HydrophobicContact CG-CG1 4.08Å; P209-H287 HydrophobicContact CG-CB 4.13Å; P209-G289 WeakPolarHBondContact CD-O 3.3Å; P209-L290 HydrophobicContact CG-CD1 4.12Å; P209-L290 HydrophobicContact CG-CD2 4.3Å; P209-L290 HydrophobicContact CG-CG 4.15Å
210	K	97.8	Very high	93.4	Very high	130 Å²	130	73.7 Å²	73.7	57%	0.565	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	96.8	171.4	-64.6	152.6	-171.6	135.6	0	108	H208 L230	H208-K210 PolarHBondContact O-N 3.14Å; K210-L230 WeakPolarHBondContact CB-O 3.07Å; K210-L230 PolarHBondContact N-O 3.47Å; K210-L230 PolarHBondContact O-N 3.41Å
211	T	97.9	Very high	93.4	Very high	33 Å²	33	76.1 Å²	76.1	20%	0.202	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.2	-171	56.7	0	0	0	0	114	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4Å; P209-T211 HydrophobicContact CG-CG2 4.27Å; P209-T211 PolarHBondContact O-N 2.83Å; P209-T211 VanDerWaalsContact O-N 3.17Å; T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å
212	H	97.3	Very high	93.7	Very high	81 Å²	81	72 Å²	72	38%	0.375	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159.1	170.5	64.3	-71.6	0	0	0	111.5	W228	H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.98Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.9Å; H212-W228 PolarHBondContact O-N 2.54Å
213	V	98.2	Very high	94	Very high	23 Å²	23	69.6 Å²	69.6	14%	0.139	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.7	175	-179.9	0	0	0	0	110.1	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.44Å; V213-C227 HydrophobicContact CG2-CB 4.32Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 4.01Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.8Å
214	T	96.9	Very high	94.3	Very high	34 Å²	34	70.5 Å²	70.5	21%	0.209	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145	173.1	49.3	0	0	0	0	110.5	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.88Å; T214-L225 CarbonylContact O-C 3.55Å; T214-L225 WeakPolarHBondContact O-CA 3.2Å; T214-R226 PolarHBondContact N-O 3.13Å; T214-R226 PolarHBondContact O-N 3.17Å; T214-R226 WeakPolarHBondContact OG1-CB 3.36Å; T214-R226 PolarHBondContact OG1-O 3.15Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å
215	H	96.2	Very high	94.8	Very high	53 Å²	53	66.1 Å²	66.1	25%	0.245	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.9	-179.2	164.6	-88.6	0	0	0	109.7	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.32Å; H215-A223 WeakPolarHBondContact NE2-CB 3.03Å; H215-L225 HydrophobicContact CB-CD2 3.9Å; H215-W298 HydrophobicContact CB-CD2 4.02Å; H215-W298 HydrophobicContact CB-CG 4.04Å; H215-W298 HydrophobicContact CB-CZ2 4.12Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.91Å
216	H	95.3	Very high	95.3	Very high	83 Å²	83	64.3 Å²	64.3	38%	0.384	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	107.4	-177.7	-54.5	-74.2	0	0	0	109.7	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.88Å; H216-V218 PolarHBondContact O-N 3Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 3.35Å; H216-T224 PolarHBondContact O-N 3.2Å; H216-R226 PolarHBondContact CD2-NH1 3.15Å; H216-R226 PolarHBondContact NE2-NH1 2.91Å
217	P	94	Very high	95.7	Very high	101 Å²	101	62.6 Å²	62.6	66%	0.656	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	135.5	172.6	-22.6	32.8	0	0	0	111.3
218	V	91.4	Very high	95.9	Very high	90 Å²	90	62.6 Å²	62.6	55%	0.545	32%	0.32	S	S	.	.			trans	-110.1	-38.1	176.1	-175.7	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3Å; V218-E222 PolarHBondContact N-O 3.17Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.28Å
219	S	92.2	Very high	96.1	Very high	53 Å²	53	57.4 Å²	57.4	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-148.8	-178.4	174.4	70.7	0	0	0	0	110.8	H221 E222	S219-H221 PolarHBondContact O-N 2.89Å; S219-H221 VanDerWaalsContact O-N 3.12Å; S219-H221 PolarHBondContact OG-N 3.21Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; S219-E222 PolarHBondContact N-O 3.02Å; S219-E222 PolarHBondContact OG-N 2.73Å; S219-E222 VanDerWaalsContact OG-N 3.09Å
220	D	89.6	Confident	96.1	Very high	155 Å²	155	59.6 Å²	59.6	83%	0.829	31%	0.307	S	S	*	.	S	Bend	trans	-68.4	0.9	170.3	-62.3	-33	0	0	0	113.4
221	H	93.1	Very high	96.1	Very high	141 Å²	141	54 Å²	54	65%	0.653	29%	0.285	S	S	*	.	S	Bend	trans	-128.7	-17.1	-175	-55.2	-22.5	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.89Å; S219-H221 VanDerWaalsContact O-N 3.12Å; S219-H221 PolarHBondContact OG-N 3.21Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; H221-P274 WeakPolarHBondContact O-CA 3.2Å; H221-S275 PolarHBondContact O-N 2.75Å; H221-S275 PolarHBondContact O-OG 3.2Å
222	E	95.4	Very high	96	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.3	-171.6	-66.1	178.5	160.8	0	0	112	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.17Å; S219-E222 PolarHBondContact N-O 3.02Å; S219-E222 PolarHBondContact OG-N 2.73Å; S219-E222 VanDerWaalsContact OG-N 3.09Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.28Å; E222-V273 WeakPolarHBondContact CA-O 3.42Å; E222-S275 PolarHBondContact N-OG 3.37Å
223	A	96.1	Very high	95.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.9	170.2	0	0	0	0	0	111	H215 H216 V272 V273	H215-A223 VanDerWaalsContact NE2-CB 3.32Å; H215-A223 WeakPolarHBondContact NE2-CB 3.03Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; A223-V272 WeakPolarHBondContact O-CA 3.48Å; A223-V273 PolarHBondContact N-O 3.46Å; A223-V273 PolarHBondContact O-N 2.67Å
224	T	97.6	Very high	95.8	Very high	24 Å²	24	48.7 Å²	48.7	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.4	168	-51.3	0	0	0	0	109.5	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.35Å; H216-T224 PolarHBondContact O-N 3.2Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.28Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.5Å
225	L	98.1	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126	162.1	-62.3	-175.4	0	0	0	108.6	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.44Å; T214-L225 CarbonylContact O-C 3.55Å; T214-L225 WeakPolarHBondContact O-CA 3.2Å; H215-L225 HydrophobicContact CB-CD2 3.9Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 3.91Å; L225-W241 HydrophobicContact CD1-CZ3 4.11Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.36Å; L225-V271 HydrophobicContact CB-CG2 4.2Å; L225-V271 PolarHBondContact N-O 2.03Å; L225-V271 PolarHBondContact O-N 3.37Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.16Å; L225-V273 HydrophobicContact CG-CG1 4.09Å; L225-V273 HydrophobicContact CG-CG2 3.9Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 4.05Å
226	R	98.3	Very high	95.7	Very high	45 Å²	45	51.4 Å²	51.4	17%	0.17	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.7	174.5	177.8	179.8	-67.1	102.1	3.6	110.3	T214 H216 W228 E253 W268 A269 A270	T214-R226 PolarHBondContact N-O 3.13Å; T214-R226 PolarHBondContact O-N 3.17Å; T214-R226 WeakPolarHBondContact OG1-CB 3.36Å; T214-R226 PolarHBondContact OG1-O 3.15Å; H216-R226 PolarHBondContact CD2-NH1 3.15Å; H216-R226 PolarHBondContact NE2-NH1 2.91Å; R226-W228 VanDerWaalsContact CD-CZ2 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-E253 IonicContact NH2-OE2 3.56Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.75Å; R226-W268 HydrophobicContact CG-CG 4.19Å; R226-W268 HydrophobicContact CG-CZ3 4.49Å; R226-W268 VanDerWaalsContact NE-CE3 3.27Å; R226-W268 VanDerWaalsContact NE-CZ3 3.28Å; R226-A269 WeakPolarHBondContact CA-O 3.29Å; R226-A270 HydrophobicContact CB-CB 3.85Å; R226-A270 HydrophobicContact CG-CB 4.07Å
227	C	98.4	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.3	173.9	-174.7	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.32Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 2.97Å; C227-A269 PolarHBondContact O-N 2.89Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.27Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.49Å
228	W	98.4	Very high	95.9	Very high	53 Å²	53	45.8 Å²	45.8	20%	0.201	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.2	179.2	-66.4	87.8	0	0	0	110.9	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.44Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.98Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.9Å; H212-W228 PolarHBondContact O-N 2.54Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å; R226-W228 VanDerWaalsContact CD-CZ2 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CB-CG 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.96Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.39Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.7Å; W228-W268 HydrophobicContact CE3-CG 4.06Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 HydrophobicContact CZ3-CB 4.36Å; W228-W268 AromaticContact CZ3-CD1 3.33Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; W228-W268 AromaticContact CZ3-NE1 3.98Å
229	A	98.5	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.6	158.5	0	0	0	0	0	108.1	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.97Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; A229-F232 HydrophobicContact CB-CD1 4.02Å; A229-F232 HydrophobicContact CB-CE1 3.74Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.75Å; A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; A229-Q266 WeakPolarHBondContact O-CA 3.25Å; A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.81Å
230	L	98.2	Very high	96.4	Very high	56 Å²	56	41.2 Å²	41.2	29%	0.293	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.5	-175.4	-60.1	176.5	0	0	0	111.1	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.07Å; K210-L230 PolarHBondContact N-O 3.47Å; K210-L230 PolarHBondContact O-N 3.41Å; W228-L230 HydrophobicContact CB-CG 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.96Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å
231	G	97.2	Very high	96.8	Very high	11 Å²	11	33.9 Å²	33.9	11%	0.113	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	44	168.6	0	0	0	0	0	113.6	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.23Å; G231-F265 PolarHBondContact N-O 2.9Å
232	F	96.9	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.5	178.2	58.4	-92.4	0	0	0	112.9	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.46Å; E207-F232 VanDerWaalsContact O-CB 3.3Å; E207-F232 WeakPolarHBondContact O-CB 3.37Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.98Å; P209-F232 HydrophobicContact CB-CG 4.23Å; A229-F232 HydrophobicContact CB-CD1 4.02Å; A229-F232 HydrophobicContact CB-CE1 3.74Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.39Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.87Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.48Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.25Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.42Å; F232-T264 WeakPolarHBondContact O-CB 3.43Å; F232-F265 WeakPolarHBondContact CD1-O 3.13Å; F232-F265 HydrophobicContact CD2-CB 3.87Å; F232-F265 HydrophobicContact CE1-CB 4.39Å; F232-F265 WeakPolarHBondContact CE1-O 3.2Å; F232-F265 HydrophobicContact CE2-CB 3.44Å; F232-F265 VanDerWaalsContact CE2-CB 3.44Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.72Å; F232-F265 PolarHBondContact N-O 3.3Å; F232-F265 PolarHBondContact O-N 2.78Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.98Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.1	Very high	97.2	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.016	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-154.9	136.4	174.7	179	-82.6	0	0	0	108.6	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.95Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.35Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; R205-Y233 HydrophobicContact CG-CD1 4.45Å; R205-Y233 WeakPolarHBondContact O-CD1 2.94Å; A206-Y233 CarbonylContact C-O 3.57Å; A206-Y233 VanDerWaalsContact CA-O 3.28Å; A206-Y233 WeakPolarHBondContact CA-O 3.23Å; E207-Y233 PolarHBondContact N-O 3.18Å; E207-Y233 PolarHBondContact O-N 2.82Å; Y233-G263 WeakPolarHBondContact CD2-O 3.39Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.12Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å
234	P	94.6	Very high	97.1	Very high	23 Å²	23	33 Å²	33	15%	0.149	17%	0.167	C	C	.	.	S	Bend	cis	-67.9	178	0.2	29.7	-37	0	0	0	113.1	D54 F232 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.28Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; P234-H287 PolarHBondContact O-NE2 2.79Å; P234-E288 HydrophobicContact CG-CB 4.46Å
235	A	95.8	Very high	96.8	Very high	12 Å²	12	34.1 Å²	34.1	10%	0.099	18%	0.184	C	C	.	.	S	Bend	trans	-74.5	-22	-176	0	0	0	0	0	114.2	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.39Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.46Å; D54-A235 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 PolarHBondContact OD2-N 3Å; A235-I237 PolarHBondContact O-N 3.13Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.35Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.79Å; A235-F265 HydrophobicContact CB-CE2 3.76Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.82Å
236	E	95.3	Very high	96.7	Very high	131 Å²	131	40.3 Å²	40.3	61%	0.612	21%	0.213	S	C	*	.			trans	-66.8	120.2	179.3	-173.1	48.1	-110.2	0	0	110.5	H287	E236-H287 PolarHBondContact O-CD2 3.41Å
237	I	96.2	Very high	96.6	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.228	C	C	.	.			trans	-158.2	131.2	-174.1	-162.3	173.6	0	0	0	110.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.25Å; A229-I237 HydrophobicContact CB-CD1 3.75Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.39Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.87Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.48Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.25Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 3.13Å; I237-L239 HydrophobicContact CD1-CD1 3.76Å; I237-L239 HydrophobicContact CG1-CD1 3.75Å; I237-L239 HydrophobicContact CG2-CD1 4.2Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	97.1	Very high	96.4	Very high	61 Å²	61	43.3 Å²	43.3	37%	0.374	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	174.2	-72.4	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.95Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; T238-Q286 PolarHBondContact N-O 2.75Å; T238-Q286 PolarHBondContact O-N 2.91Å
239	L	97.8	Very high	96	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120	170.5	-90.6	63.4	0	0	0	108	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; I237-L239 HydrophobicContact CD1-CD1 3.76Å; I237-L239 HydrophobicContact CG1-CD1 3.75Å; I237-L239 HydrophobicContact CG2-CD1 4.2Å; L239-L254 HydrophobicContact CB-CD1 4.12Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.32Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.09Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; L239-H284 WeakPolarHBondContact CA-O 3.45Å; L239-V285 HydrophobicContact CD1-CG1 3.97Å; L239-V285 HydrophobicContact CD1-CG2 4.38Å; L239-V285 HydrophobicContact CG-CG2 4.24Å
240	T	97.5	Very high	95.5	Very high	40 Å²	40	54.9 Å²	54.9	25%	0.245	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.8	173.5	61.5	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.95Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.84Å
241	W	98.2	Very high	95	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.1	167.4	-83.8	104.5	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 3.91Å; L225-W241 HydrophobicContact CD1-CZ3 4.11Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.38Å; W241-Q248 PolarHBondContact O-N 3Å; W241-A269 PolarHBondContact NE1-O 3.27Å; W241-V271 HydrophobicContact CB-CG1 3.71Å; W241-V271 HydrophobicContact CB-CG2 4.41Å; W241-V271 HydrophobicContact CD2-CG1 4.41Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.04Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.68Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.28Å; W241-C283 HydrophobicContact CD2-CB 4.06Å; W241-C283 HydrophobicContact CE3-CB 4.02Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.8	Very high	94.9	Very high	41 Å²	41	58.6 Å²	58.6	19%	0.192	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.3	170.4	-73	-178.4	-7.2	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.5Å; Q242-E246 WeakPolarHBondContact CA-O 3.3Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.33Å; Q242-D247 PolarHBondContact NE2-OD1 3.14Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.27Å; Q242-T282 PolarHBondContact N-O 3.18Å; Q242-T282 PolarHBondContact O-N 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 3.45Å
243	R	97.4	Very high	94.9	Very high	75 Å²	75	63.9 Å²	63.9	28%	0.283	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120	165.9	-176.1	-172.3	63.9	-148.5	-9.6	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.03Å; R243-E246 PolarHBondContact N-O 3.39Å; R243-E246 PolarHBondContact O-N 2.79Å; R243-Q248 HydrophobicContact CB-CG 4.02Å; R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.06Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CB-CG 4.46Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.25Å; R243-Y281 HydrophobicContact CG-CE1 4.21Å; R243-Y281 HydrophobicContact CG-CE2 3.95Å
244	D	95.4	Very high	95	Very high	103 Å²	103	68 Å²	68	55%	0.551	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	18.2	-175.6	-52	-52.6	0	0	0	115.2	R280	D244-R280 PolarHBondContact N-O 3.21Å; D244-R280 WeakPolarHBondContact OD1-CB 3.29Å; D244-R280 IonicContact OD1-NE 3.47Å; D244-R280 PolarHBondContact OD1-NE 3.42Å; D244-R280 IonicContact OD2-CZ 3.15Å; D244-R280 IonicContact OD2-NE 2.84Å; D244-R280 PolarHBondContact OD2-NE 3.04Å; D244-R280 IonicContact OD2-NH2 2.66Å; D244-R280 PolarHBondContact OD2-NH2 2.97Å
245	G	91.6	Very high	95.1	Very high	48 Å²	48	68.6 Å²	68.6	50%	0.495	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.5	-2.9	-175.8	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.03Å
246	E	95.6	Very high	95.2	Very high	130 Å²	130	76.2 Å²	76.2	61%	0.607	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	126	174.9	-61.2	-175.2	150.6	0	0	111.3	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.5Å; Q242-E246 WeakPolarHBondContact CA-O 3.3Å; R243-E246 PolarHBondContact N-O 3.39Å; R243-E246 PolarHBondContact O-N 2.79Å; E246-Q248 PolarHBondContact O-NE2 3.22Å
247	D	95.2	Very high	95.3	Very high	93 Å²	93	72.1 Å²	72.1	50%	0.497	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	133.4	178.8	-65.2	-45.7	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.33Å; Q242-D247 PolarHBondContact NE2-OD1 3.14Å
248	Q	95.1	Very high	95.3	Very high	15 Å²	15	76.6 Å²	76.6	7%	0.07	40%	0.397	C	S	.	.			trans	-102.6	33.5	-175.6	-54.2	-62.3	-88.2	0	0	112.1	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.38Å; W241-Q248 PolarHBondContact O-N 3Å; R243-Q248 HydrophobicContact CB-CG 4.02Å; E246-Q248 PolarHBondContact O-NE2 3.22Å; Q248-Q250 VanDerWaalsContact C-N 3.27Å; Q248-Q250 PolarHBondContact O-N 3.33Å; Q248-Q250 VanDerWaalsContact O-N 3.13Å; Q248-D251 PolarHBondContact O-N 2.82Å; Q248-T252 WeakPolarHBondContact O-CB 3.46Å; Q248-T252 PolarHBondContact O-N 3.05Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.68Å; Q248-V271 HydrophobicContact CB-CG1 4.41Å; Q248-Y281 HydrophobicContact CG-CE1 4.27Å
249	T	88.8	Confident	95.3	Very high	104 Å²	104	77.9 Å²	77.9	64%	0.638	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.3	-165.9	-45.8	0	0	0	0	114.8
250	Q	89.1	Confident	95.2	Very high	193 Å²	193	80 Å²	80	90%	0.902	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-29.7	178.2	-63.5	-173.4	12.4	0	0	112.9	Q248	Q248-Q250 VanDerWaalsContact C-N 3.27Å; Q248-Q250 PolarHBondContact O-N 3.33Å; Q248-Q250 VanDerWaalsContact O-N 3.13Å
251	D	88.3	Confident	95	Very high	119 Å²	119	81.7 Å²	81.7	64%	0.636	45%	0.451	S	S	*	.	S	Bend	trans	-95.4	5.5	-179.1	-53	-70.7	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.82Å
252	T	95	Very high	94.7	Very high	25 Å²	25	87.3 Å²	87.3	15%	0.153	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.5	-179.1	-61	0	0	0	0	111.7	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.46Å; Q248-T252 PolarHBondContact O-N 3.05Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.68Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 2.88Å; T252-L254 VanDerWaalsContact O-N 3.16Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å; T252-V271 HydrophobicContact CG2-CG1 4.4Å; T252-V271 VanDerWaalsContact OG1-CG1 3.32Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.32Å
253	E	96.9	Very high	94.3	Very high	111 Å²	111	87.3 Å²	87.3	52%	0.519	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	97.7	163.3	-175.3	-172.7	-154.9	0	0	109	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 3.56Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.79Å; E253-W268 VanDerWaalsContact OE2-CH2 3.22Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.4Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.02Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; E253-A270 HydrophobicContact CB-CB 4.35Å; E253-A270 PolarHBondContact N-O 3.16Å; E253-A270 PolarHBondContact O-N 3.17Å
254	L	96.9	Very high	94.3	Very high	91 Å²	91	84.1 Å²	84.1	48%	0.476	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.2	176.9	-175.3	69.8	0	0	0	110.2	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.12Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 2.88Å; T252-L254 VanDerWaalsContact O-N 3.16Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
255	V	96.8	Very high	94.4	Very high	35 Å²	35	80.5 Å²	80.5	21%	0.212	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-86.6	153.3	175.2	-63.3	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 3.41Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.33Å; V255-W268 HydrophobicContact CG1-CH2 3.79Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.21Å; V255-W268 HydrophobicContact CG2-CD2 3.89Å; V255-W268 HydrophobicContact CG2-CG 3.81Å; V255-W268 WeakPolarHBondContact CG2-O 3.01Å; V255-W268 PolarHBondContact N-O 3.12Å
256	E	96.7	Very high	94.7	Very high	172 Å²	172	80.2 Å²	80.2	80%	0.804	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-53.9	146.7	165.3	-66.5	-178.1	165.9	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.47Å
257	T	97.8	Very high	94.8	Very high	46 Å²	46	75 Å²	75	28%	0.282	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-70.9	128.7	174.7	-54.6	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.35Å; T257-F265 HydrophobicContact CG2-CB 3.88Å; T257-F265 HydrophobicContact CG2-CD1 4.04Å; T257-F265 HydrophobicContact CG2-CG 4.26Å; T257-K267 WeakPolarHBondContact OG1-CD 3.21Å; T257-K267 PolarHBondContact OG1-NZ 2.81Å
258	R	97.1	Very high	95	Very high	99 Å²	99	71.8 Å²	71.8	37%	0.374	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.5	-174.7	70.5	-164.6	-176	-169.4	2.6	111	E256 Q266	E256-R258 PolarHBondContact O-N 3.47Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.88Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 3.05Å
259	P	96.9	Very high	95.1	Very high	88 Å²	88	71.1 Å²	71.1	57%	0.571	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	152.8	177.1	27.5	-34.7	0	0	0	111.7	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.38Å; P259-F265 HydrophobicContact CB-CE1 4.13Å; P259-Q266 PolarHBondContact O-NE2 2.87Å; P259-Q266 VanDerWaalsContact O-NE2 3.12Å
260	A	96.1	Very high	95.6	Very high	51 Å²	51	66.2 Å²	66.2	42%	0.421	37%	0.37	S	S	.	.			trans	-89.9	-23.2	168.3	0	0	0	0	0	112.4	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.42Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.03Å; A260-Q266 HydrophobicContact CB-CG 4.48Å
261	G	92.5	Very high	96	Very high	76 Å²	76	57.2 Å²	57.2	78%	0.784	33%	0.328	S	S	*	.	S	Bend	trans	100.6	-5.4	177.9	0	0	0	0	0	115
262	D	91.8	Very high	96.4	Very high	118 Å²	118	55.3 Å²	55.3	63%	0.631	32%	0.32	S	S	*	.	S	Bend	trans	-101	6.3	174.8	56.8	7.7	0	0	0	113.3	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.42Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 PolarHBondContact OD1-OG1 3.43Å; D262-T264 PolarHBondContact OD2-OG1 2.91Å
263	G	90.4	Very high	96.5	Very high	42 Å²	42	54.1 Å²	54.1	43%	0.433	31%	0.313	S	S	.	.	S	Bend	trans	95.8	-5.3	-171.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.39Å
264	T	95.8	Very high	96.5	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.043	30%	0.304	C	S	.	.			trans	-102.6	171.6	174.9	74.9	0	0	0	0	112.6	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.23Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.42Å; F232-T264 WeakPolarHBondContact O-CB 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.03Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 PolarHBondContact OD1-OG1 3.43Å; D262-T264 PolarHBondContact OD2-OG1 2.91Å
265	F	97.9	Very high	96.3	Very high	27 Å²	27	49.8 Å²	49.8	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	164.9	-176.6	-66.7	-86.1	0	0	0	112.8	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.69Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.9Å; F232-F265 WeakPolarHBondContact CD1-O 3.13Å; F232-F265 HydrophobicContact CD2-CB 3.87Å; F232-F265 HydrophobicContact CE1-CB 4.39Å; F232-F265 WeakPolarHBondContact CE1-O 3.2Å; F232-F265 HydrophobicContact CE2-CB 3.44Å; F232-F265 VanDerWaalsContact CE2-CB 3.44Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.72Å; F232-F265 PolarHBondContact N-O 3.3Å; F232-F265 PolarHBondContact O-N 2.78Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.12Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.79Å; A235-F265 HydrophobicContact CB-CE2 3.76Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.82Å; T257-F265 HydrophobicContact CG2-CB 3.88Å; T257-F265 HydrophobicContact CG2-CD1 4.04Å; T257-F265 HydrophobicContact CG2-CG 4.26Å; P259-F265 HydrophobicContact CB-CD1 4.38Å; P259-F265 HydrophobicContact CB-CE1 4.13Å
266	Q	98.2	Very high	96	Very high	42 Å²	42	51.2 Å²	51.2	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	143	178.6	38.6	161.8	-26	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.25Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.88Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 3.05Å; P259-Q266 PolarHBondContact O-NE2 2.87Å; P259-Q266 VanDerWaalsContact O-NE2 3.12Å; A260-Q266 HydrophobicContact CB-CG 4.48Å
267	K	98.5	Very high	96	Very high	22 Å²	22	46 Å²	46	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158	177.8	-160.5	-176.8	-169.3	65	0	109.2	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.81Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.32Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 3.41Å; T257-K267 WeakPolarHBondContact OG1-CD 3.21Å; T257-K267 PolarHBondContact OG1-NZ 2.81Å
268	W	98.3	Very high	95.9	Very high	25 Å²	25	44.8 Å²	44.8	10%	0.095	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.9	168.1	57.1	-95.6	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.75Å; R226-W268 HydrophobicContact CG-CG 4.19Å; R226-W268 HydrophobicContact CG-CZ3 4.49Å; R226-W268 VanDerWaalsContact NE-CE3 3.27Å; R226-W268 VanDerWaalsContact NE-CZ3 3.28Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.39Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.7Å; W228-W268 HydrophobicContact CE3-CG 4.06Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 HydrophobicContact CZ3-CB 4.36Å; W228-W268 AromaticContact CZ3-CD1 3.33Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; W228-W268 AromaticContact CZ3-NE1 3.98Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.79Å; E253-W268 VanDerWaalsContact OE2-CH2 3.22Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.4Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.02Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.33Å; V255-W268 HydrophobicContact CG1-CH2 3.79Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.21Å; V255-W268 HydrophobicContact CG2-CD2 3.89Å; V255-W268 HydrophobicContact CG2-CG 3.81Å; V255-W268 WeakPolarHBondContact CG2-O 3.01Å; V255-W268 PolarHBondContact N-O 3.12Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.69Å
269	A	98.3	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.6	174.2	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.29Å; C227-A269 PolarHBondContact N-O 2.97Å; C227-A269 PolarHBondContact O-N 2.89Å; L239-A269 HydrophobicContact CB-CB 4.09Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; W241-A269 PolarHBondContact NE1-O 3.27Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
270	A	98.1	Very high	95.8	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.4	178.7	0	0	0	0	0	112.6	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.36Å; R226-A270 HydrophobicContact CB-CB 3.85Å; R226-A270 HydrophobicContact CG-CB 4.07Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å; E253-A270 HydrophobicContact CB-CB 4.35Å; E253-A270 PolarHBondContact N-O 3.16Å; E253-A270 PolarHBondContact O-N 3.17Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.69Å
271	V	97.9	Very high	95.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146	174.6	-74.4	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.5Å; L225-V271 HydrophobicContact CB-CG2 4.2Å; L225-V271 PolarHBondContact N-O 2.03Å; L225-V271 PolarHBondContact O-N 3.37Å; W241-V271 HydrophobicContact CB-CG1 3.71Å; W241-V271 HydrophobicContact CB-CG2 4.41Å; W241-V271 HydrophobicContact CD2-CG1 4.41Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.04Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.68Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.28Å; Q248-V271 HydrophobicContact CB-CG1 4.41Å; T252-V271 HydrophobicContact CG2-CG1 4.4Å; T252-V271 VanDerWaalsContact OG1-CG1 3.32Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.32Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.03Å; V271-Y281 HydrophobicContact CG2-CE1 4.39Å
272	V	97.4	Very high	96.1	Very high	78 Å²	78	39.8 Å²	39.8	47%	0.473	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.4	165.9	-178.4	0	0	0	0	108	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.28Å; A223-V272 WeakPolarHBondContact O-CA 3.48Å
273	V	96.6	Very high	96.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.6	-176.5	-49.3	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.42Å; A223-V273 PolarHBondContact N-O 3.46Å; A223-V273 PolarHBondContact O-N 2.67Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.16Å; L225-V273 HydrophobicContact CG-CG1 4.09Å; L225-V273 HydrophobicContact CG-CG2 3.9Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.65Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.6Å; V273-Y281 HydrophobicContact CG1-CG 3.71Å
274	P	96.4	Very high	96.7	Very high	52 Å²	52	33.7 Å²	33.7	34%	0.338	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.9	171.2	-19.7	32.1	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.2Å; P274-G276 PolarHBondContact O-N 2.84Å; P274-E277 HydrophobicContact CB-CB 4.21Å; P274-E277 HydrophobicContact CB-CG 4.06Å; P274-E277 HydrophobicContact CG-CB 4.47Å; P274-E277 HydrophobicContact CG-CG 4.43Å; P274-E277 WeakPolarHBondContact O-CB 3.24Å; P274-E277 PolarHBondContact O-N 2.93Å
275	S	92.8	Very high	96.8	Very high	58 Å²	58	33.3 Å²	33.3	41%	0.406	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	127.4	177.6	-62.4	0	0	0	0	111.7	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.75Å; H221-S275 PolarHBondContact O-OG 3.2Å; E222-S275 PolarHBondContact N-OG 3.37Å; S275-E278 WeakPolarHBondContact CA-OE1 3.26Å
276	G	91.7	Very high	96.8	Very high	65 Å²	65	36.2 Å²	36.2	67%	0.67	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-6.8	-173.1	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.84Å; G276-E278 VanDerWaalsContact C-OE2 3.22Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.95Å; G276-E278 PolarHBondContact N-OE2 3.22Å; G276-E278 VanDerWaalsContact N-OE2 3.12Å
277	E	95.4	Very high	96.7	Very high	63 Å²	63	34.3 Å²	34.3	29%	0.294	19%	0.189	S	C	.	.			trans	-98.3	1.3	175.2	-68.5	-158.3	-168	0	0	113.8	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.21Å; P274-E277 HydrophobicContact CB-CG 4.06Å; P274-E277 HydrophobicContact CG-CB 4.47Å; P274-E277 HydrophobicContact CG-CG 4.43Å; P274-E277 WeakPolarHBondContact O-CB 3.24Å; P274-E277 PolarHBondContact O-N 2.93Å; E277-Q279 PolarHBondContact O-N 3Å; E277-R280 VanDerWaalsContact CD-NH1 3.25Å; E277-R280 VanDerWaalsContact O-CB 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 3.36Å; E277-R280 IonicContact OE1-NH1 3.39Å; E277-R280 PolarHBondContact OE1-NH1 2.84Å; E277-R280 WeakPolarHBondContact OE2-CD 3.4Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 3.78Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.96Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å
278	E	95	Very high	96.3	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.2	-169.6	-53.4	81.6	-176.2	0	0	113.2	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; S275-E278 WeakPolarHBondContact CA-OE1 3.26Å; G276-E278 VanDerWaalsContact C-OE2 3.22Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.95Å; G276-E278 PolarHBondContact N-OE2 3.22Å; G276-E278 VanDerWaalsContact N-OE2 3.12Å; E278-R280 VanDerWaalsContact C-N 3.33Å; E278-R280 PolarHBondContact O-N 2.87Å; E278-Y281 PolarHBondContact O-N 2.89Å; E278-W298 HydrophobicContact CB-CE3 3.49Å; E278-W298 VanDerWaalsContact CB-CE3 3.49Å; E278-W298 HydrophobicContact CB-CZ3 3.92Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å
279	Q	95.2	Very high	95.9	Very high	88 Å²	88	34.8 Å²	34.8	41%	0.411	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-77	-13.6	179.6	-61.6	-57.9	-44.1	0	0	114.4	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-R297 PolarHBondContact O-NE 2.68Å; Q279-W298 PolarHBondContact NE2-O 3.05Å
280	R	96.8	Very high	95.7	Very high	97 Å²	97	35.6 Å²	35.6	37%	0.366	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-73.8	-22.7	170.2	-61.2	175.5	70.8	176.7	5.7	111.8	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.06Å; D244-R280 PolarHBondContact N-O 3.21Å; D244-R280 WeakPolarHBondContact OD1-CB 3.29Å; D244-R280 IonicContact OD1-NE 3.47Å; D244-R280 PolarHBondContact OD1-NE 3.42Å; D244-R280 IonicContact OD2-CZ 3.15Å; D244-R280 IonicContact OD2-NE 2.84Å; D244-R280 PolarHBondContact OD2-NE 3.04Å; D244-R280 IonicContact OD2-NH2 2.66Å; D244-R280 PolarHBondContact OD2-NH2 2.97Å; E277-R280 VanDerWaalsContact CD-NH1 3.25Å; E277-R280 VanDerWaalsContact O-CB 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 3.36Å; E277-R280 IonicContact OE1-NH1 3.39Å; E277-R280 PolarHBondContact OE1-NH1 2.84Å; E277-R280 WeakPolarHBondContact OE2-CD 3.4Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 3.78Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.96Å; E278-R280 VanDerWaalsContact C-N 3.33Å; E278-R280 PolarHBondContact O-N 2.87Å
281	Y	97.6	Very high	95.4	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.7	-176.1	-70.4	-100.8	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.27Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CB-CG 4.46Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.25Å; R243-Y281 HydrophobicContact CG-CE1 4.21Å; R243-Y281 HydrophobicContact CG-CE2 3.95Å; Q248-Y281 HydrophobicContact CG-CE1 4.27Å; V271-Y281 HydrophobicContact CG2-CD1 4.03Å; V271-Y281 HydrophobicContact CG2-CE1 4.39Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.65Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.6Å; V273-Y281 HydrophobicContact CG1-CG 3.71Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E278-Y281 PolarHBondContact O-N 2.89Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å
282	T	97.9	Very high	95.1	Very high	13 Å²	13	48.4 Å²	48.4	8%	0.08	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.7	176.9	43.3	0	0	0	0	110.2	Q242 H284 T295 L296 R297	Q242-T282 PolarHBondContact N-O 3.18Å; Q242-T282 PolarHBondContact O-N 3.2Å; T282-H284 PolarHBondContact OG1-NE2 3Å; T282-T295 HydrophobicContact CG2-CG2 3.89Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; T282-R297 HydrophobicContact CG2-CG 3.74Å
283	C	98.2	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.1	168.5	174	0	0	0	0	109.1	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.27Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.49Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.06Å; W241-C283 HydrophobicContact CE3-CB 4.02Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.26Å; C283-L296 PolarHBondContact O-N 2.87Å
284	H	97.8	Very high	95	Very high	32 Å²	32	51 Å²	51	15%	0.148	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.4	174.1	-61.2	-92.7	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.45Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.84Å; Q242-H284 PolarHBondContact OE1-NE2 3.45Å; T282-H284 PolarHBondContact OG1-NE2 3Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.28Å; H284-T295 VanDerWaalsContact CE1-CG2 3.44Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.45Å; H284-T295 PolarHBondContact CE1-OG1 3.02Å; H284-T295 VanDerWaalsContact CE1-OG1 3.29Å; H284-T295 PolarHBondContact ND1-OG1 2.76Å
285	V	97.9	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.8	-177.7	-175.1	0	0	0	0	109.7	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 4.08Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; L239-V285 HydrophobicContact CD1-CG1 3.97Å; L239-V285 HydrophobicContact CD1-CG2 4.38Å; L239-V285 HydrophobicContact CG-CG2 4.24Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-L290 WeakPolarHBondContact O-CD1 3.33Å; V285-P293 WeakPolarHBondContact O-CA 3.49Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3Å; V285-L294 PolarHBondContact O-N 2.87Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
286	Q	96.9	Very high	95.2	Very high	88 Å²	88	51.4 Å²	51.4	41%	0.411	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	176.4	-56.4	-179.3	5.2	0	0	109.7	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; T238-Q286 PolarHBondContact N-O 2.75Å; T238-Q286 PolarHBondContact O-N 2.91Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	95.1	Very high	95.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.273	C	S	.	.			trans	-158.5	153.8	-174	-172.6	-107.7	0	0	0	109.6	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 VanDerWaalsContact CH2-C 3.43Å; W23-H287 VanDerWaalsContact CZ2-C 3.42Å; W23-H287 WeakPolarHBondContact CZ2-O 3.48Å; E207-H287 PolarHBondContact O-CE1 3.17Å; E207-H287 VanDerWaalsContact O-CE1 3.24Å; P209-H287 HydrophobicContact CG-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.98Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 2.79Å; E236-H287 PolarHBondContact O-CD2 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 VanDerWaalsContact ND1-CA 3.32Å; H287-G289 WeakPolarHBondContact ND1-CA 3.46Å; H287-G289 PolarHBondContact ND1-N 3.16Å; H287-G289 PolarHBondContact O-N 3.2Å; H287-L290 HydrophobicContact CB-CD1 4.14Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.45Å; H287-L290 VanDerWaalsContact O-N 3.11Å
288	E	91.1	Very high	95.5	Very high	55 Å²	55	54.1 Å²	54.1	26%	0.257	27%	0.267	S	S	.	.	S	Bend	trans	-62.8	-38	177.8	-172	168.5	111.1	0	0	111.7	W23 C25 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.3Å; W23-E288 HydrophobicContact CD2-CB 4.1Å; W23-E288 HydrophobicContact CD2-CG 4.2Å; W23-E288 VanDerWaalsContact CE3-CA 3.46Å; W23-E288 HydrophobicContact CE3-CB 3.42Å; W23-E288 VanDerWaalsContact CE3-CB 3.42Å; W23-E288 HydrophobicContact CE3-CG 3.7Å; W23-E288 HydrophobicContact CG-CG 4.49Å; W23-E288 HydrophobicContact CH2-CB 4.38Å; W23-E288 VanDerWaalsContact CH2-N 3.33Å; W23-E288 HydrophobicContact CZ3-CB 3.59Å; W23-E288 HydrophobicContact CZ3-CG 4.37Å; C25-E288 PolarHBondContact SG-OE1 2.89Å; A206-E288 HydrophobicContact CB-CG 4.45Å; P234-E288 HydrophobicContact CG-CB 4.46Å; E288-L290 PolarHBondContact O-N 3.41Å
289	G	90.6	Very high	95.2	Very high	2 Å²	2	61 Å²	61	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	-76.1	51.8	166.5	0	0	0	0	0	111.7	H208 P209 H287	H208-G289 VanDerWaalsContact CA-O 3.3Å; H208-G289 WeakPolarHBondContact CA-O 3.03Å; H208-G289 WeakPolarHBondContact CB-O 3.41Å; H208-G289 PolarHBondContact ND1-O 2.9Å; P209-G289 WeakPolarHBondContact CD-O 3.3Å; H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 VanDerWaalsContact ND1-CA 3.32Å; H287-G289 WeakPolarHBondContact ND1-CA 3.46Å; H287-G289 PolarHBondContact ND1-N 3.16Å; H287-G289 PolarHBondContact O-N 3.2Å
290	L	93.1	Very high	94.5	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.089	30%	0.303	C	S	.	.			trans	-151	123.7	164.4	-74.2	180	0	0	0	109.2	P209 V285 H287 E288 E292 L294	P209-L290 HydrophobicContact CG-CD1 4.12Å; P209-L290 HydrophobicContact CG-CD2 4.3Å; P209-L290 HydrophobicContact CG-CG 4.15Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-L290 WeakPolarHBondContact O-CD1 3.33Å; H287-L290 HydrophobicContact CB-CD1 4.14Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 3.45Å; H287-L290 VanDerWaalsContact O-N 3.11Å; E288-L290 PolarHBondContact O-N 3.41Å; L290-E292 VanDerWaalsContact C-N 3.28Å; L290-E292 PolarHBondContact O-N 2.84Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 4.15Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.36Å; L290-L294 HydrophobicContact CD2-CG 3.73Å; L290-L294 HydrophobicContact CG-CG 4.45Å
291	P	91.2	Very high	93	Very high	124 Å²	124	60.7 Å²	60.7	81%	0.805	32%	0.321	S	S	*	.	S	Bend	trans	-70.2	-27.4	177.9	29.9	-35	0	0	0	112.5
292	E	92.6	Very high	90.8	Very high	152 Å²	152	65.5 Å²	65.5	71%	0.71	36%	0.356	S	S	*	.	S	Bend	trans	-142.5	147.8	173.2	-65.3	-177.2	176.9	0	0	108.3	L290 L294	L290-E292 VanDerWaalsContact C-N 3.28Å; L290-E292 PolarHBondContact O-N 2.84Å; E292-L294 PolarHBondContact O-N 3.17Å
293	P	94.9	Very high	88.4	Confident	70 Å²	70	72.4 Å²	72.4	46%	0.455	39%	0.387	S	S	.	.			trans	-54.7	135.5	175.3	-28.2	36.8	0	0	0	113.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.49Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.6	Very high	85.9	Confident	62 Å²	62	77.5 Å²	77.5	33%	0.325	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.5	174.7	-64.9	178.2	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.28Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3Å; V285-L294 PolarHBondContact O-N 2.87Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 4.15Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.36Å; L290-L294 HydrophobicContact CD2-CG 3.73Å; L290-L294 HydrophobicContact CG-CG 4.45Å; E292-L294 PolarHBondContact O-N 3.17Å
295	T	97.6	Very high	83.7	Confident	84 Å²	84	82.4 Å²	82.4	52%	0.515	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.8	167.5	-55.2	0	0	0	0	109.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.89Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; H284-T295 VanDerWaalsContact CE1-CG2 3.44Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.45Å; H284-T295 PolarHBondContact CE1-OG1 3.02Å; H284-T295 VanDerWaalsContact CE1-OG1 3.29Å; H284-T295 PolarHBondContact ND1-OG1 2.76Å
296	L	96.9	Very high	81.7	Confident	35 Å²	35	87.5 Å²	87.5	18%	0.183	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.7	-171.8	-60	159.1	0	0	0	110.4	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.13Å; V213-L296 HydrophobicContact CG2-CB 4.01Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.26Å; C283-L296 PolarHBondContact O-N 2.87Å; V285-L296 HydrophobicContact CG2-CD1 3.91Å
297	R	96	Very high	79.9	Confident	138 Å²	138	87.4 Å²	87.4	52%	0.521	49%	0.486	S	S	.	.			trans	-119.6	166	167.3	-72	-171.8	170.6	151.9	1.4	110.1	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.68Å; T282-R297 HydrophobicContact CG2-CG 3.74Å; R297-E299 PolarHBondContact O-N 2.89Å
298	W	95.8	Very high	78.3	Confident	47 Å²	47	93.1 Å²	93.1	18%	0.178	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-72.1	120.5	164	171	54.6	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.8Å; H215-W298 HydrophobicContact CB-CD2 4.02Å; H215-W298 HydrophobicContact CB-CG 4.04Å; H215-W298 HydrophobicContact CB-CZ2 4.12Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.91Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 4.05Å; E278-W298 HydrophobicContact CB-CE3 3.49Å; E278-W298 VanDerWaalsContact CB-CE3 3.49Å; E278-W298 HydrophobicContact CB-CZ3 3.92Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å; Q279-W298 PolarHBondContact NE2-O 3.05Å; W298-P300 HydrophobicContact CE3-CG 4.34Å; W298-P300 HydrophobicContact CH2-CB 4.25Å; W298-P300 HydrophobicContact CH2-CG 3.9Å; W298-P300 HydrophobicContact CZ2-CB 4.03Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å
299	E	89.4	Confident	76.9	Confident	164 Å²	164	96.4 Å²	96.4	77%	0.766	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-95.4	121.9	167.1	-65.3	-168.9	161	0	0	109.6	R297 S301	R297-E299 PolarHBondContact O-N 2.89Å; E299-S301 PolarHBondContact O-N 3.31Å
300	P	80.9	Confident	75.8	Confident	76 Å²	76	98.4 Å²	98.4	49%	0.494	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-58.4	131.3	171.9	-24.4	34.4	0	0	0	110.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.34Å; W298-P300 HydrophobicContact CH2-CB 4.25Å; W298-P300 HydrophobicContact CH2-CG 3.9Å; W298-P300 HydrophobicContact CZ2-CB 4.03Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å; P300-S302 PolarHBondContact O-N 2.95Å
301	S	66	Low	74.9	Confident	104 Å²	104	102 Å²	102	73%	0.727	58%	0.577	S	S	*	*			trans	-56.5	103.7	-175.7	-174.9	0	0	0	0	111.6	E299 Q303	E299-S301 PolarHBondContact O-N 3.31Å; S301-Q303 PolarHBondContact O-N 3.13Å
302	S	50.3	Low	74.1	Confident	112 Å²	112	100.3 Å²	100.3	78%	0.783	57%	0.565	S	S	*	*			trans	-78.8	52.2	177.4	52.7	0	0	0	0	111.3	P300 P304	P300-S302 PolarHBondContact O-N 2.95Å; S302-P304 WeakPolarHBondContact O-CD 3.13Å
303	Q	47.4	Very low	73.3	Confident	157 Å²	157	95.5 Å²	95.5	73%	0.734	55%	0.551	S	S	*	*			trans	-54.8	115.3	162.1	-78.7	-168.4	-6.7	0	0	107.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.13Å; Q303-T305 PolarHBondContact O-N 2.97Å
304	P	45.2	Very low	72.6	Confident	108 Å²	108	93.9 Å²	93.9	70%	0.701	55%	0.547	S	S	*	.			trans	-63.2	117.1	172.8	26.7	-31.8	0	0	0	106.1	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.13Å; P304-I306 PolarHBondContact O-N 3.39Å
305	T	52.2	Low	72.1	Confident	135 Å²	135	96.2 Å²	96.2	83%	0.828	56%	0.559	S	S	*	*			trans	-69.6	81.8	171.5	-55.1	0	0	0	0	107	Q303 P307	Q303-T305 PolarHBondContact O-N 2.97Å; T305-P307 WeakPolarHBondContact O-CD 3.47Å; T305-P307 VanDerWaalsContact O-N 3.08Å
306	I	56.8	Low	71.4	Confident	106 Å²	106	94.8 Å²	94.8	54%	0.544	56%	0.556	S	S	.	*			trans	-49.9	120.9	174.2	-63.2	175.8	0	0	0	105.2	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.39Å; I306-I308 PolarHBondContact O-N 3.19Å; I306-I311 HydrophobicContact CG2-CD1 3.79Å
307	P	58.3	Low	70.8	Confident	87 Å²	87	97.3 Å²	97.3	57%	0.565	57%	0.573	S	S	*	*			trans	-75.7	77.6	-172.3	29.3	-34.7	0	0	0	109.1	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.47Å; T305-P307 VanDerWaalsContact O-N 3.08Å; P307-V309 PolarHBondContact O-N 3.41Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 2.94Å; P307-I311 PolarHBondContact O-N 3.18Å
308	I	61.4	Low	70.2	Confident	120 Å²	120	96.1 Å²	96.1	62%	0.615	58%	0.576	S	S	*	*	H	α-helix	trans	-53.9	-39	177.8	-66.7	165.5	0	0	0	109.2	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.19Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 3.4Å; I308-I311 PolarHBondContact O-N 3.2Å; I308-V312 HydrophobicContact CG2-CG2 4.19Å; I308-V312 WeakPolarHBondContact O-CB 3.3Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.32Å; I308-V312 PolarHBondContact O-N 3.21Å
309	V	62.4	Low	69.7	Low	125 Å²	125	96.7 Å²	96.7	76%	0.758	59%	0.591	S	S	*	*	H	α-helix	trans	-56.9	-43.8	171.9	-178.1	0	0	0	0	112.1	P307 A313	P307-V309 PolarHBondContact O-N 3.41Å; V309-A313 WeakPolarHBondContact O-CB 3.38Å; V309-A313 PolarHBondContact O-N 3.36Å
310	G	66.8	Low	69.5	Low	44 Å²	44	93 Å²	93	45%	0.454	58%	0.579	S	S	.	*	H	α-helix	trans	-69.1	-39.7	178	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 2.94Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 3.4Å; G310-G314 PolarHBondContact O-N 2.91Å
311	I	73.6	Confident	69.7	Low	91 Å²	91	94.3 Å²	94.3	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-66.4	-46.6	175.7	-62.5	173	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.79Å; P307-I311 PolarHBondContact O-N 3.18Å; I308-I311 PolarHBondContact O-N 3.2Å; I311-G314 PolarHBondContact O-N 3.25Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.39Å
312	V	74.9	Confident	70.5	Confident	89 Å²	89	92.5 Å²	92.5	54%	0.539	57%	0.573	S	S	.	*	H	α-helix	trans	-63.4	-42.6	177.3	170.2	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.19Å; I308-V312 WeakPolarHBondContact O-CB 3.3Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.32Å; I308-V312 PolarHBondContact O-N 3.21Å; V312-L315 PolarHBondContact O-N 3.42Å; V312-A316 WeakPolarHBondContact O-CB 3.27Å; V312-A316 PolarHBondContact O-N 3.49Å
313	A	75.2	Confident	72	Confident	52 Å²	52	91.6 Å²	91.6	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-44.4	174.8	0	0	0	0	0	112.2	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.38Å; V309-A313 PolarHBondContact O-N 3.36Å; A313-A316 PolarHBondContact O-N 3.26Å; A313-V317 WeakPolarHBondContact O-CG2 3.27Å; A313-V317 PolarHBondContact O-N 2.9Å
314	G	81.4	Confident	73.6	Confident	35 Å²	35	88.9 Å²	88.9	36%	0.361	55%	0.552	S	S	.	*	H	α-helix	trans	-61.2	-44.4	176.4	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.91Å; I311-G314 PolarHBondContact O-N 3.25Å; G314-V317 PolarHBondContact O-N 2.92Å; G314-L318 WeakPolarHBondContact O-CB 3.44Å; G314-L318 WeakPolarHBondContact O-CG 3.43Å; G314-L318 PolarHBondContact O-N 2.77Å
315	L	85.3	Confident	75.4	Confident	111 Å²	111	85.7 Å²	85.7	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-65.2	-39.5	175.6	-71.2	171.9	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.39Å; V312-L315 PolarHBondContact O-N 3.42Å; L315-L318 PolarHBondContact O-N 2.73Å; L315-A319 WeakPolarHBondContact O-CB 3.16Å; L315-A319 PolarHBondContact O-N 2.95Å
316	A	82.4	Confident	76.6	Confident	54 Å²	54	81.9 Å²	81.9	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.3	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.27Å; V312-A316 PolarHBondContact O-N 3.49Å; A313-A316 PolarHBondContact O-N 3.26Å; A316-A319 PolarHBondContact O-N 3.13Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 3.4Å
317	V	85	Confident	77.7	Confident	88 Å²	88	80.6 Å²	80.6	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-44.3	175.3	170.9	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.27Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 2.92Å; V317-A319 PolarHBondContact O-N 3.32Å; V317-V320 PolarHBondContact O-N 2.89Å; V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 VanDerWaalsContact O-CG 3.32Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 2.71Å
318	L	84.6	Confident	78.5	Confident	114 Å²	114	82.1 Å²	82.1	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-61.3	-41.2	175.7	-77.4	166.5	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CB 3.44Å; G314-L318 WeakPolarHBondContact O-CG 3.43Å; G314-L318 PolarHBondContact O-N 2.77Å; L315-L318 PolarHBondContact O-N 2.73Å; L318-L321 PolarHBondContact O-N 2.84Å; L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.86Å
319	A	84.4	Confident	79.1	Confident	58 Å²	58	79 Å²	79	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.9	0	0	0	0	0	112.1	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.16Å; L315-A319 PolarHBondContact O-N 2.95Å; A316-A319 PolarHBondContact O-N 3.13Å; V317-A319 PolarHBondContact O-N 3.32Å; A319-A322 PolarHBondContact O-N 3.08Å; A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 2.93Å
320	V	85	Confident	79.6	Confident	88 Å²	88	76.9 Å²	76.9	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-44.1	175.7	170.4	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 3.4Å; V317-V320 PolarHBondContact O-N 2.89Å; V320-A322 PolarHBondContact O-N 3.37Å; V320-V323 PolarHBondContact O-N 3.38Å; V320-L324 HydrophobicContact CG1-CD1 3.92Å; V320-L324 HydrophobicContact CG1-CG 4.45Å; V320-L324 WeakPolarHBondContact O-CB 3.43Å; V320-L324 WeakPolarHBondContact O-CG 3.43Å; V320-L324 PolarHBondContact O-N 3.19Å
321	L	84.4	Confident	80	Confident	102 Å²	102	78.2 Å²	78.2	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-39.5	176.8	-71.1	172.1	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 VanDerWaalsContact O-CG 3.32Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 2.71Å; L318-L321 PolarHBondContact O-N 2.84Å; L321-L324 PolarHBondContact O-N 3.22Å; L321-G325 PolarHBondContact O-N 3.02Å
322	A	82.6	Confident	79.9	Confident	66 Å²	66	80.1 Å²	80.1	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-42.6	175.4	0	0	0	0	0	112.1	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.86Å; A319-A322 PolarHBondContact O-N 3.08Å; V320-A322 PolarHBondContact O-N 3.37Å; A322-G325 PolarHBondContact O-N 2.82Å; A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.13Å
323	V	82.6	Confident	79.3	Confident	94 Å²	94	80 Å²	80	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-63.8	-45.1	175	170.9	0	0	0	0	111.2	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 2.93Å; V320-V323 PolarHBondContact O-N 3.38Å; V323-G325 PolarHBondContact O-N 2.98Å; V323-A326 PolarHBondContact O-N 3.18Å; V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 WeakPolarHBondContact O-CG2 3.38Å; V323-V327 PolarHBondContact O-N 2.73Å
324	L	81.8	Confident	78.6	Confident	99 Å²	99	86.6 Å²	86.6	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-42.4	176.1	-72	169.7	0	0	0	111.9	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.92Å; V320-L324 HydrophobicContact CG1-CG 4.45Å; V320-L324 WeakPolarHBondContact O-CB 3.43Å; V320-L324 WeakPolarHBondContact O-CG 3.43Å; V320-L324 PolarHBondContact O-N 3.19Å; L321-L324 PolarHBondContact O-N 3.22Å; L324-V327 PolarHBondContact O-N 2.99Å; L324-M328 WeakPolarHBondContact O-CB 3.3Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.07Å; L324-M328 PolarHBondContact O-N 3.07Å
325	G	81.3	Confident	77.5	Confident	41 Å²	41	94.6 Å²	94.6	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-45	174.4	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.02Å; A322-G325 PolarHBondContact O-N 2.82Å; V323-G325 PolarHBondContact O-N 2.98Å; G325-M328 PolarHBondContact O-N 3.34Å; G325-A329 WeakPolarHBondContact O-CB 3.47Å; G325-A329 PolarHBondContact O-N 3.15Å
326	A	78.9	Confident	75.9	Confident	55 Å²	55	98.2 Å²	98.2	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-63.6	-43.2	176.1	0	0	0	0	0	112.4	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.13Å; V323-A326 PolarHBondContact O-N 3.18Å; A326-A329 PolarHBondContact O-N 3.05Å; A326-V330 WeakPolarHBondContact O-CG2 3.49Å; A326-V330 PolarHBondContact O-N 3.01Å
327	V	79.3	Confident	74.4	Confident	80 Å²	80	100.2 Å²	100.2	49%	0.485	56%	0.563	S	S	.	*	H	α-helix	trans	-61.7	-45.5	175.3	169.8	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 WeakPolarHBondContact O-CG2 3.38Å; V323-V327 PolarHBondContact O-N 2.73Å; L324-V327 PolarHBondContact O-N 2.99Å; V327-A329 PolarHBondContact O-N 2.89Å; V327-V330 PolarHBondContact O-N 3.42Å; V327-V331 HydrophobicContact CG1-CG2 4.42Å; V327-V331 WeakPolarHBondContact O-CB 3.15Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.34Å; V327-V331 PolarHBondContact O-N 3.44Å
328	M	75.4	Confident	72.6	Confident	119 Å²	119	100.9 Å²	100.9	59%	0.586	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-41.3	177.1	-73.7	-64.6	-71.9	0	0	112.2	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.3Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.07Å; L324-M328 PolarHBondContact O-N 3.07Å; G325-M328 PolarHBondContact O-N 3.34Å; M328-V331 PolarHBondContact O-N 3.12Å; M328-M332 WeakPolarHBondContact O-CB 3.26Å; M328-M332 WeakPolarHBondContact O-CG 3.44Å; M328-M332 PolarHBondContact O-N 3.18Å
329	A	73.8	Confident	70.8	Confident	54 Å²	54	98.4 Å²	98.4	45%	0.446	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-45.7	174.2	0	0	0	0	0	111.9	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.47Å; G325-A329 PolarHBondContact O-N 3.15Å; A326-A329 PolarHBondContact O-N 3.05Å; V327-A329 PolarHBondContact O-N 2.89Å; A329-V331 PolarHBondContact O-N 3.45Å; A329-M332 PolarHBondContact O-N 3.33Å; A329-C333 WeakPolarHBondContact O-CB 3.28Å; A329-C333 PolarHBondContact O-N 2.66Å; A329-C333 PolarHBondContact O-SG 3.04Å
330	V	73.9	Confident	68.5	Low	81 Å²	81	99.8 Å²	99.8	49%	0.491	59%	0.594	S	S	.	*	H	α-helix	trans	-62.9	-40.1	176.3	169.5	0	0	0	0	111.8	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.49Å; A326-V330 PolarHBondContact O-N 3.01Å; V327-V330 PolarHBondContact O-N 3.42Å; V330-C333 PolarHBondContact O-N 2.85Å; V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 PolarHBondContact O-N 3.09Å
331	V	73.4	Confident	66	Low	71 Å²	71	106 Å²	106	43%	0.43	61%	0.614	S	S	.	*	H	α-helix	trans	-66.4	-40.5	175.8	169.2	0	0	0	0	111.5	V327 M328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.42Å; V327-V331 WeakPolarHBondContact O-CB 3.15Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.34Å; V327-V331 PolarHBondContact O-N 3.44Å; M328-V331 PolarHBondContact O-N 3.12Å; A329-V331 PolarHBondContact O-N 3.45Å; V331-R334 PolarHBondContact O-N 3.28Å; V331-R335 PolarHBondContact O-N 3.11Å
332	M	71.6	Confident	63.6	Low	131 Å²	131	105 Å²	105	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-66.6	-42.8	174.6	-74.2	-174.6	70.1	0	0	112.2	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.26Å; M328-M332 WeakPolarHBondContact O-CG 3.44Å; M328-M332 PolarHBondContact O-N 3.18Å; A329-M332 PolarHBondContact O-N 3.33Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.74Å; M332-R335 PolarHBondContact O-N 3.26Å; M332-K336 WeakPolarHBondContact O-CB 3.44Å; M332-K336 PolarHBondContact O-N 2.73Å
333	C	62.8	Low	61.1	Low	88 Å²	88	106 Å²	106	60%	0.595	64%	0.644	S	S	*	*	H	α-helix	trans	-60	-42.3	172.8	-75.4	0	0	0	0	111.6	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.28Å; A329-C333 PolarHBondContact O-N 2.66Å; A329-C333 PolarHBondContact O-SG 3.04Å; V330-C333 PolarHBondContact O-N 2.85Å; C333-K336 PolarHBondContact O-N 3.3Å; C333-S337 PolarHBondContact O-N 2.98Å; C333-S337 PolarHBondContact O-OG 2.73Å; C333-S337 VanDerWaalsContact O-OG 3.08Å
334	R	61.6	Low	58.8	Low	189 Å²	189	106.8 Å²	106.8	71%	0.713	65%	0.654	S	S	*	*	H	α-helix	trans	-65	-41.2	175.5	-82.3	-176.8	154.7	167.2	-5	113.2	V330 V331 M332 K336 S337 S338	V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 PolarHBondContact O-N 3.09Å; V331-R334 PolarHBondContact O-N 3.28Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.74Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-K336 PolarHBondContact O-N 3.15Å; R334-S337 WeakPolarHBondContact CA-OG 3.41Å; R334-S337 PolarHBondContact O-N 2.92Å; R334-S337 PolarHBondContact O-OG 3.42Å; R334-S338 PolarHBondContact O-N 3.24Å
335	R	58	Low	56.3	Low	204 Å²	204	107.6 Å²	107.6	77%	0.77	67%	0.667	S	S	*	*	H	α-helix	trans	-63.7	-33.5	171.3	-93.5	-176	164.5	177.3	-4.3	113	V331 M332 S338	V331-R335 PolarHBondContact O-N 3.11Å; M332-R335 PolarHBondContact O-N 3.26Å; R335-S338 PolarHBondContact O-OG 2.9Å
336	K	50.6	Low	54	Low	187 Å²	187	111.3 Å²	111.3	81%	0.813	69%	0.687	S	S	*	*	H	α-helix	trans	-79.8	-20.6	178.4	-162.7	171.3	-177.9	-179.9	0	113.3	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.44Å; M332-K336 PolarHBondContact O-N 2.73Å; C333-K336 PolarHBondContact O-N 3.3Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-K336 PolarHBondContact O-N 3.15Å
337	S	51.2	Low	52.1	Low	95 Å²	95	117.9 Å²	117.9	66%	0.664	71%	0.708	S	S	*	*	H	α-helix	trans	-88.5	-6.4	175.2	54	0	0	0	0	115.1	C333 R334 G339	C333-S337 PolarHBondContact O-N 2.98Å; C333-S337 PolarHBondContact O-OG 2.73Å; C333-S337 VanDerWaalsContact O-OG 3.08Å; R334-S337 WeakPolarHBondContact CA-OG 3.41Å; R334-S337 PolarHBondContact O-N 2.92Å; R334-S337 PolarHBondContact O-OG 3.42Å; S337-G339 VanDerWaalsContact C-N 3.35Å
338	S	48.2	Very low	49.7	Very low	102 Å²	102	118.9 Å²	118.9	71%	0.713	72%	0.724	S	S	*	*	S	Bend	trans	-93	21.6	178.3	67.2	0	0	0	0	114.2	R334 R335	R334-S338 PolarHBondContact O-N 3.24Å; R335-S338 PolarHBondContact O-OG 2.9Å
339	G	45.3	Very low	47.7	Very low	63 Å²	63	117.2 Å²	117.2	65%	0.649	73%	0.73	S	S	*	*	S	Bend	trans	-168.6	115.2	178	0	0	0	0	0	113.6	S337	S337-G339 VanDerWaalsContact C-N 3.35Å
340	G	36.4	Very low	45.7	Very low	87 Å²	87	120.3 Å²	120.3	90%	0.897	75%	0.748	S	S	*	*			trans	121.7	116	174.9	0	0	0	0	0	113.5
341	K	33.6	Very low	43.9	Very low	218 Å²	218	121 Å²	121	95%	0.948	76%	0.757	S	S	*	*			trans	-135.4	118.8	178	178.9	179.4	-179.8	178.4	0	109.4
342	G	33	Very low	42.1	Very low	81 Å²	81	124.9 Å²	124.9	84%	0.835	78%	0.775	S	S	*	*			trans	148.4	150	173.1	0	0	0	0	0	113.9
343	G	31.3	Very low	40.6	Very low	86 Å²	86	124.6 Å²	124.6	89%	0.887	79%	0.786	S	S	*	*			trans	114.3	125.2	178.8	0	0	0	0	0	113
344	S	34.3	Very low	39.5	Very low	111 Å²	111	124.3 Å²	124.3	78%	0.776	79%	0.79	S	S	*	*			trans	-143.8	157.5	-179.8	-178.1	0	0	0	0	110.5
345	C	28.5	Very low	38.3	Very low	116 Å²	116	125 Å²	125	78%	0.784	80%	0.802	S	S	*	*			trans	69.7	157.1	176.9	-53.8	0	0	0	0	114.1
346	S	33.3	Very low	37.1	Very low	120 Å²	120	118.2 Å²	118.2	84%	0.839	79%	0.794	S	S	*	*			cis	-137.4	161	15.2	-58.3	0	0	0	0	114
347	Q	38	Very low	36.7	Very low	192 Å²	192	114.5 Å²	114.5	90%	0.897	79%	0.792	S	S	*	*			trans	-81.6	140.8	169.4	174.4	-175.7	2.3	0	0	111.1
348	A	29.9	Very low	36.1	Very low	101 Å²	101	117.3 Å²	117.3	84%	0.835	80%	0.8	S	S	*	*			trans	-156	155.3	164.3	0	0	0	0	0	110.3
349	A	32.2	Very low	35.4	Very low	85 Å²	85	120.6 Å²	120.6	70%	0.702	80%	0.804	S	S	*	*			trans	-146.3	163.3	-178.4	0	0	0	0	0	111.3
350	S	32.4	Very low	34.8	Very low	118 Å²	118	121.5 Å²	121.5	83%	0.825	80%	0.8	S	S	*	*			trans	63	152	172.7	31.6	0	0	0	0	116.7
351	S	35.7	Very low	34.7	Very low	97 Å²	97	125.4 Å²	125.4	68%	0.678	80%	0.8	S	S	*	*			cis	-167.3	157.2	-8.4	44.8	0	0	0	0	112.2
352	N	36.3	Very low	34.8	Very low	152 Å²	152	122.1 Å²	122.1	81%	0.813	79%	0.791	S	S	*	*			trans	45.7	113.5	145.4	-60.5	0.2	0	0	0	121.6
353	S	40.9	Very low	34.8	Very low	124 Å²	124	123.1 Å²	123.1	87%	0.867	79%	0.791	S	S	*	*				-176.5	163.2	122.9	28.8	0	0	0	0	109.9
354	A	37.9	Very low	34.7	Very low	83 Å²	83	125 Å²	125	69%	0.686	79%	0.789	S	S	*	*			cis	171.5	138.7	-44.3	0	0	0	0	0	107.3
355	Q	38.1	Very low	34.6	Very low	204 Å²	204	129.8 Å²	129.8	95%	0.953	80%	0.796	S	S	*	*			trans	63.8	138.3	178.7	-70.2	167.1	-54.4	0	0	117.1
356	G	32.3	Very low	34.9	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	83%	0.828	S	S	*	*			cis	174.5	162.2	-9	0	0	0	0	0	113.7
357	S	41.1	Very low	34.9	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	83%	0.828	S	S	*	*			trans	53.8	154.4	155.4	39.9	0	0	0	0	120.2
358	D	39.3	Very low	34.8	Very low	154 Å²	154	130.2 Å²	130.2	82%	0.824	82%	0.824	S	S	*	*			cis	-166.9	173.7	-20.7	-92.2	-27.6	0	0	0	105.5
359	E	34.3	Very low	35	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.794	82%	0.823	S	S	*	*			cis	-148.2	166.5	3.7	-113.5	-148.9	72.8	0	0	105.1
360	S	32.7	Very low	35.2	Very low	83 Å²	83	134.6 Å²	134.6	58%	0.58	83%	0.83	S	S	*	*			cis	-168.5	-167.1	-19.1	58.5	0	0	0	0	108.5
361	L	33	Very low	35.4	Very low	169 Å²	169	135.6 Å²	135.6	89%	0.885	83%	0.831	S	S	*	*			trans	-150.1	133.3	172	-103.4	169.8	0	0	0	109.6
362	I	35.9	Very low	35.4	Very low	149 Å²	149	138.2 Å²	138.2	76%	0.764	84%	0.841	S	S	*	*			trans	-120.9	118.2	167.7	-62.7	-178.6	0	0	0	109.4
363	A	32.7	Very low	35.3	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	84%	0.843	S	S	*	*			trans	-116.4	130.6	159.2	0	0	0	0	0	107.8
364	C	29.7	Very low	34.9	Very low	125 Å²	125	138.2 Å²	138.2	85%	0.845	84%	0.841	S	S	*	*			trans	-107.2	143.1	169.8	-78.2	0	0	0	0	109.8
365	K	31.7	Very low	34.6	Very low	213 Å²	213	142.8 Å²	142.8	93%	0.926	85%	0.854	S	S	*	*			trans	-146.4	110.6	178.3	-174.6	-172.2	177.4	-176.3	0	109.6
366	A	34.6	Very low	34.3	Very low	176 Å²	176	137.3 Å²	137.3	100%	1.455	85%	0.845	S	S	*	*			trans	-153.5	0	162.9	0	0	0	0	0	106.7

Retrieved 366 of 366 residues in 74.4 ms (Link to these results)

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