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T cell receptor alpha variable 7

V region of the variable domain of T cell receptor (TR) alpha chain that participates in the antigen recognition¹. Alpha-beta T cell receptors are antigen specific receptors which are essential to the immune response and are present on the cell surface of T lymphocytes. Recognize peptide-major histocompatibility (MH) (pMH) complexes that are displayed by antigen presenting cells (APC), a prerequisite for efficient T cell adaptive immunity against pathogens². Binding of alpha-beta TR to pMH complex initiates TR-CD3 clustering on the cell surface and intracellular activation of LCK that phosphorylates the ITAM motifs of CD3G, CD3D, CD3E and CD247 enabling the recruitment of ZAP70. In turn ZAP70 phosphorylates LAT, which recruits numerous signaling molecules to form the LAT signalosome. The LAT signalosome propagates signal branching to three major signaling pathways, the calcium, the mitogen-activated protein kinase (MAPK) kinase and the nuclear factor NF-kappa-B (NF-kB) pathways, leading to the mobilization of transcription factors that are critical for gene expression and essential for T cell growth and differentiation³. The T cell repertoire is generated in the thymus, by V-(D)-J rearrangement. This repertoire is then shaped by intrathymic selection events to generate a peripheral T cell pool of self-MH restricted, non-autoaggressive T cells. Post-thymic interaction of alpha-beta TR with the pMH complexes shapes TR structural and functional avidity⁴.

AlphaFold DB , UniProt , Accession A0A075B6U4, Species HUMAN (Homo sapiens, Human), Gene TRAV7, Length 112 aa.

						>TVA7_HUMAN|A0A075B6U4|TRAV7
MEKMRRPVLIIFCLCLGWANGENQVEHSPHFLGPQQGDVASMSCTYSVSRFNNLQWYRQNTGMGPKHLLSMYSAGYEKQKGRLNATLLKNGSSLYITAVQPEDSATYFCAVD
					

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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	49.6	Very low	61.7	Low	243 Å²	243	173.5 Å²	173.5	100%	1.197	83%	0.832	S	S	*	*				0	113	0	-85.2	168.2	71.2	0	0	108.9
2	E	53.5	Low	61.9	Low	174 Å²	174	173.4 Å²	173.4	81%	0.813	83%	0.825	S	S	*	*			trans	-12.2	137.3	146.7	-125.6	175.5	128.5	0	0	116.5
3	K	47.7	Very low	62.5	Low	182 Å²	182	168 Å²	168	79%	0.791	82%	0.815	S	S	*	*				-156.9	106	129	-149.4	162	-174.6	168.3	0	112
4	M	62.1	Low	62.8	Low	156 Å²	156	165.1 Å²	165.1	77%	0.768	81%	0.805	S	S	*	*			trans	-59.4	126	160.5	179.5	152.6	49.3	0	0	110
5	R	64.5	Low	62.9	Low	219 Å²	219	161.8 Å²	161.8	83%	0.826	80%	0.803	S	S	*	*			trans	-126.1	107	166.5	-85.9	-174.6	162	-179.6	-3.9	108.9
6	R	67.3	Low	62.9	Low	244 Å²	244	160.8 Å²	160.8	92%	0.921	80%	0.801	S	S	*	*			trans	-63.7	137.2	163.5	-86	178.7	167.9	-178.7	-4.2	109.7
7	P	61.3	Low	62.9	Low	106 Å²	106	155.5 Å²	155.5	69%	0.688	80%	0.796	S	S	*	*			trans	-115.1	131.5	159.9	18.5	1.4	0	0	0	111.5
8	V	65	Low	63.1	Low	136 Å²	136	160.2 Å²	160.2	82%	0.824	80%	0.803	S	S	*	*			trans	-78.6	121	170.9	173.7	0	0	0	0	107.4
9	L	67.9	Low	63.1	Low	152 Å²	152	156.9 Å²	156.9	80%	0.796	80%	0.803	S	S	*	*			trans	-92.7	112.7	177.7	-93.9	97	0	0	0	111
10	I	68.2	Low	63.3	Low	138 Å²	138	156.8 Å²	156.8	71%	0.708	80%	0.804	S	S	*	*			trans	-82.2	114.3	172.6	-62.2	171	0	0	0	107.4	F12	I10-F12 HydrophobicContact CG2-CD2 4.17Å; I10-F12 PolarHBondContact O-N 3.31Å; I10-F12 VanDerWaalsContact O-N 3.14Å
11	I	71.6	Confident	63.5	Low	159 Å²	159	152 Å²	152	82%	0.815	79%	0.794	S	S	*	*			trans	-82.3	90.8	178.6	-60	171.6	0	0	0	108.2	C13	I11-C13 PolarHBondContact O-N 3.14Å
12	F	64.4	Low	65	Low	172 Å²	172	148.6 Å²	148.6	75%	0.754	78%	0.775	S	S	*	*			trans	-81.7	97.6	168.7	-125.6	-94.4	0	0	0	108.2	I10 L14	I10-F12 HydrophobicContact CG2-CD2 4.17Å; I10-F12 PolarHBondContact O-N 3.31Å; I10-F12 VanDerWaalsContact O-N 3.14Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 HydrophobicContact CD1-CG 4.46Å; F12-L14 PolarHBondContact O-N 3.25Å
13	C	70.1	Confident	66.8	Low	103 Å²	103	145 Å²	145	70%	0.696	76%	0.761	S	S	*	*			trans	-78.1	83.9	-180	-160.6	0	0	0	0	109.7	I11 C15	I11-C13 PolarHBondContact O-N 3.14Å; C13-C15 PolarHBondContact O-N 3Å
14	L	65.7	Low	69	Low	127 Å²	127	141 Å²	141	67%	0.665	75%	0.745	S	S	*	*			trans	-79.9	94.3	166.7	-70	169	0	0	0	107.7	F12 L16	F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 HydrophobicContact CD1-CG 4.46Å; F12-L14 PolarHBondContact O-N 3.25Å; L14-L16 HydrophobicContact CB-CG 4.48Å; L14-L16 PolarHBondContact O-N 2.78Å
15	C	65.1	Low	70.7	Confident	116 Å²	116	136.3 Å²	136.3	78%	0.784	73%	0.725	S	S	*	*			trans	-65.6	79.1	165	-65.1	0	0	0	0	108.4	C13 G17	C13-C15 PolarHBondContact O-N 3Å; C15-G17 PolarHBondContact O-N 3.48Å
16	L	62.1	Low	72.3	Confident	146 Å²	146	131.6 Å²	131.6	76%	0.764	71%	0.713	S	S	*	*			trans	-58.7	119.1	170.2	-67.4	170.2	0	0	0	107.1	L14 W18	L14-L16 HydrophobicContact CB-CG 4.48Å; L14-L16 PolarHBondContact O-N 2.78Å; L16-W18 PolarHBondContact O-N 3.18Å
17	G	63.8	Low	73.7	Confident	70 Å²	70	123 Å²	123	72%	0.722	68%	0.683	S	S	*	*			trans	-50.7	137	-176.1	0	0	0	0	0	111.7	C15 A19	C15-G17 PolarHBondContact O-N 3.48Å; G17-A19 PolarHBondContact O-N 3.27Å; G17-A19 VanDerWaalsContact O-N 3.08Å
18	W	66.3	Low	75.5	Confident	241 Å²	241	121.2 Å²	121.2	91%	0.913	67%	0.673	S	S	*	*			trans	-57.5	113.5	177.2	-65.1	-22.9	0	0	0	110.1	L16 N20	L16-W18 PolarHBondContact O-N 3.18Å; W18-N20 PolarHBondContact O-N 3.27Å
19	A	63.8	Low	77	Confident	97 Å²	97	117.5 Å²	117.5	80%	0.802	65%	0.651	S	S	*	*			trans	-75.5	100.6	169.8	0	0	0	0	0	108.1	G17 G21	G17-A19 PolarHBondContact O-N 3.27Å; G17-A19 VanDerWaalsContact O-N 3.08Å; A19-G21 PolarHBondContact O-N 3Å
20	N	66.9	Low	78.3	Confident	154 Å²	154	118.9 Å²	118.9	82%	0.824	65%	0.653	S	S	*	*			trans	-81.1	68.7	173	-66.8	-20.7	0	0	0	109.7	W18	W18-N20 PolarHBondContact O-N 3.27Å
21	G	67.7	Low	79.6	Confident	58 Å²	58	120.6 Å²	120.6	60%	0.598	66%	0.656	S	S	*	*			trans	-112	79.3	167.6	0	0	0	0	0	108.7	A19 N23	A19-G21 PolarHBondContact O-N 3Å; G21-N23 PolarHBondContact O-N 3.19Å; G21-N23 VanDerWaalsContact O-N 3.15Å
22	E	80.1	Confident	80.7	Confident	171 Å²	171	116.4 Å²	116.4	80%	0.799	64%	0.635	S	S	*	*			trans	-85.9	90.4	-179.9	-163	165.1	-159	0	0	109.5
23	N	91	Very high	82.3	Confident	99 Å²	99	111.4 Å²	111.4	53%	0.529	63%	0.632	S	S	.	*			trans	-73.6	130.5	165.3	-72.4	-15.5	0	0	0	108.2	G21 S47 V48 S49	G21-N23 PolarHBondContact O-N 3.19Å; G21-N23 VanDerWaalsContact O-N 3.15Å; N23-S47 VanDerWaalsContact CA-O 3.31Å; N23-S47 WeakPolarHBondContact CA-O 3.4Å; N23-V48 HydrophobicContact CB-CG1 4.16Å; N23-V48 WeakPolarHBondContact OD1-CA 3.35Å; N23-S49 PolarHBondContact OD1-N 3.08Å
24	Q	95.1	Very high	83.5	Confident	97 Å²	97	108.8 Å²	108.8	45%	0.453	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.7	148.8	-179	56.9	179	-21.8	0	0	111.7	Y46 S47	Q24-Y46 CarbonylContact O-C 3.55Å; Q24-Y46 VanDerWaalsContact O-CA 3.23Å; Q24-Y46 WeakPolarHBondContact O-CA 2.93Å; Q24-S47 PolarHBondContact N-O 2.93Å; Q24-S47 PolarHBondContact O-N 3.37Å
25	V	96.9	Very high	85	Confident	57 Å²	57	109.8 Å²	109.8	35%	0.345	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.4	130.4	176.6	178.9	0	0	0	0	108	T45 C109 V111	V25-T45 CarbonylContact C-O 3.52Å; V25-T45 VanDerWaalsContact CA-O 3.32Å; V25-T45 WeakPolarHBondContact CA-O 3.4Å; V25-C109 WeakPolarHBondContact CG1-SG 3.5Å; V25-V111 HydrophobicContact CG2-CG2 4.16Å
26	E	97.7	Very high	86.6	Confident	121 Å²	121	110.6 Å²	110.6	57%	0.565	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.3	149.5	179.1	-60.1	179	153.3	0	0	110.5	C44 T45	E26-C44 CarbonylContact O-C 3.54Å; E26-C44 VanDerWaalsContact O-CA 3.29Å; E26-C44 WeakPolarHBondContact O-CA 3.36Å; E26-T45 PolarHBondContact N-O 2.92Å; E26-T45 PolarHBondContact O-N 2.81Å
27	H	98.2	Very high	88.3	Confident	64 Å²	64	105.8 Å²	105.8	30%	0.296	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.8	140.7	-179.5	-56.8	94.9	0	0	0	111	S43 C109	H27-S43 WeakPolarHBondContact CA-O 3.29Å; H27-C109 PolarHBondContact NE2-N 2.94Å; H27-C109 PolarHBondContact NE2-SG 2.93Å
28	S	97.9	Very high	89.9	Confident	68 Å²	68	106 Å²	106	48%	0.476	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146	134	176	-177.3	0	0	0	0	112.6	S43	S28-S43 PolarHBondContact N-O 3.19Å; S28-S43 PolarHBondContact O-N 3.2Å; S28-S43 PolarHBondContact O-OG 3.15Å
29	P	97.4	Very high	91.4	Very high	57 Å²	57	99 Å²	99	37%	0.37	56%	0.561	S	S	.	*	S	Bend	cis	-76.4	160.6	-9.2	33.2	-33.6	0	0	0	111.2	F31 L32	P29-F31 VanDerWaalsContact C-N 3.25Å; P29-F31 PolarHBondContact O-N 3.29Å; P29-L32 HydrophobicContact CG-CD1 4.31Å; P29-L32 HydrophobicContact CG-CD2 3.29Å; P29-L32 HydrophobicContact CG-CG 3.65Å
30	H	94.5	Very high	93	Very high	181 Å²	181	94.8 Å²	94.8	84%	0.838	53%	0.526	S	S	*	.	S	Bend	trans	-67.6	-26.1	179.5	-68	87	0	0	0	113.3
31	F	95.8	Very high	94.5	Very high	175 Å²	175	89.8 Å²	89.8	77%	0.768	50%	0.503	S	S	*	.			trans	-142.2	142.4	179.8	-179.8	-96.4	0	0	0	109.9	P29	P29-F31 VanDerWaalsContact C-N 3.25Å; P29-F31 PolarHBondContact O-N 3.29Å
32	L	95.5	Very high	96	Very high	70 Å²	70	87.9 Å²	87.9	37%	0.366	48%	0.479	S	S	.	.			trans	-131.8	133.3	177.3	-73.7	170.5	0	0	0	108.9	P29 A40 S41 M42	P29-L32 HydrophobicContact CG-CD1 4.31Å; P29-L32 HydrophobicContact CG-CD2 3.29Å; P29-L32 HydrophobicContact CG-CG 3.65Å; L32-A40 HydrophobicContact CD1-CB 4.45Å; L32-S41 WeakPolarHBondContact CD1-O 3.36Å; L32-M42 HydrophobicContact CD1-CB 4.08Å
33	G	96.1	Very high	96.8	Very high	67 Å²	67	81.6 Å²	81.6	69%	0.691	45%	0.454	S	S	*	.			trans	-126.3	60.4	172.9	0	0	0	0	0	112.1
34	P	96.1	Very high	97.1	Very high	48 Å²	48	76.9 Å²	76.9	31%	0.312	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-66.7	153.2	178.1	32.5	-38.4	0	0	0	111.2	D38 A40 V99	P34-D38 HydrophobicContact CB-CB 4Å; P34-A40 HydrophobicContact CB-CB 4.49Å; P34-A40 HydrophobicContact CG-CB 4.16Å; P34-V99 HydrophobicContact CB-CG2 4.44Å; P34-V99 HydrophobicContact CG-CB 4.47Å; P34-V99 HydrophobicContact CG-CG1 3.96Å; P34-V99 HydrophobicContact CG-CG2 4.23Å
35	Q	97.6	Very high	97.2	Very high	149 Å²	149	75.3 Å²	75.3	70%	0.696	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-79.1	160.5	169.1	-57.7	-171.1	3	0	0	110.5	G37 D38	Q35-G37 PolarHBondContact O-N 2.81Å; Q35-D38 WeakPolarHBondContact CA-OD2 3.31Å; Q35-D38 WeakPolarHBondContact CB-OD2 3.32Å; Q35-D38 PolarHBondContact N-OD2 2.97Å; Q35-D38 VanDerWaalsContact O-CB 3.24Å; Q35-D38 WeakPolarHBondContact O-CB 3.46Å; Q35-D38 PolarHBondContact O-N 2.89Å; Q35-D38 VanDerWaalsContact O-N 3.07Å
36	Q	97.7	Very high	97.2	Very high	133 Å²	133	73.6 Å²	73.6	62%	0.621	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	132.2	174.4	-175.1	179.2	4.6	0	0	110.1	D38 V99	Q36-D38 VanDerWaalsContact C-N 3.31Å; Q36-V99 CarbonylContact C-O 3.55Å; Q36-V99 WeakPolarHBondContact CA-O 3.2Å; Q36-V99 WeakPolarHBondContact CG-O 3.47Å
37	G	97.9	Very high	97.1	Very high	45 Å²	45	70.7 Å²	70.7	46%	0.464	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-14.4	-176	0	0	0	0	0	114.6	Q35 V99	Q35-G37 PolarHBondContact O-N 2.81Å; G37-V99 PolarHBondContact N-O 2.85Å
38	D	97.9	Very high	96.8	Very high	73 Å²	73	69.3 Å²	69.3	39%	0.39	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-67.3	171.4	175.7	-71.6	-12	0	0	0	111.9	P34 Q35 Q36 A98 V99	P34-D38 HydrophobicContact CB-CB 4Å; Q35-D38 WeakPolarHBondContact CA-OD2 3.31Å; Q35-D38 WeakPolarHBondContact CB-OD2 3.32Å; Q35-D38 PolarHBondContact N-OD2 2.97Å; Q35-D38 VanDerWaalsContact O-CB 3.24Å; Q35-D38 WeakPolarHBondContact O-CB 3.46Å; Q35-D38 PolarHBondContact O-N 2.89Å; Q35-D38 VanDerWaalsContact O-N 3.07Å; Q36-D38 VanDerWaalsContact C-N 3.31Å; D38-A98 PolarHBondContact O-N 2.94Å; D38-V99 WeakPolarHBondContact O-CG2 3.41Å; D38-V99 PolarHBondContact O-N 2.86Å
39	V	98	Very high	96.4	Very high	95 Å²	95	71 Å²	71	58%	0.576	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-100.5	119.7	167.1	-178.9	0	0	0	0	108.8	I96	V39-I96 WeakPolarHBondContact CA-O 3.31Å
40	A	98	Very high	96.1	Very high	9 Å²	9	78.4 Å²	78.4	7%	0.074	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.3	169.5	0	0	0	0	0	110	L32 P34 Y95 I96 V99	L32-A40 HydrophobicContact CD1-CB 4.45Å; P34-A40 HydrophobicContact CB-CB 4.49Å; P34-A40 HydrophobicContact CG-CB 4.16Å; A40-Y95 CarbonylContact O-C 3.28Å; A40-Y95 VanDerWaalsContact O-CA 3.29Å; A40-Y95 WeakPolarHBondContact O-CA 3.41Å; A40-I96 HydrophobicContact CB-CB 4.3Å; A40-I96 HydrophobicContact CB-CG1 4.47Å; A40-I96 PolarHBondContact N-O 3.44Å; A40-I96 PolarHBondContact O-N 2.73Å; A40-V99 HydrophobicContact CB-CG2 3.72Å
41	S	97.9	Very high	96	Very high	49 Å²	49	73.4 Å²	73.4	34%	0.343	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.7	174.6	-176.2	0	0	0	0	110.1	L32 Y95	L32-S41 WeakPolarHBondContact CD1-O 3.36Å; S41-Y95 WeakPolarHBondContact OG-CD1 3.41Å; S41-Y95 WeakPolarHBondContact OG-CE1 3.48Å
42	M	98	Very high	95.9	Very high	17 Å²	17	69.7 Å²	69.7	8%	0.084	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.9	175.4	67.7	-103.5	72.2	0	0	108.9	L32 W56 S93 L94 I96 Y107	L32-M42 HydrophobicContact CD1-CB 4.08Å; M42-W56 HydrophobicContact CG-CH2 4.02Å; M42-W56 HydrophobicContact CG-CZ3 4.01Å; M42-S93 CarbonylContact O-C 3.55Å; M42-S93 WeakPolarHBondContact O-CA 3.24Å; M42-L94 VanDerWaalsContact CE-C 3.42Å; M42-L94 HydrophobicContact CE-CB 3.79Å; M42-L94 HydrophobicContact CE-CD2 4.25Å; M42-L94 HydrophobicContact CE-CG 3.92Å; M42-L94 WeakPolarHBondContact CE-O 3.43Å; M42-L94 HydrophobicContact CG-CB 4.03Å; M42-L94 PolarHBondContact N-O 2.92Å; M42-L94 VanDerWaalsContact N-O 3.15Å; M42-L94 PolarHBondContact O-N 2.92Å; M42-L94 HydrophobicContact SD-CB 4.04Å; M42-L94 HydrophobicContact SD-CD2 3.82Å; M42-L94 HydrophobicContact SD-CG 4.13Å; M42-I96 HydrophobicContact CE-CG1 4.11Å; M42-Y107 HydrophobicContact SD-CG 4.28Å
43	S	98	Very high	95.9	Very high	39 Å²	39	66.7 Å²	66.7	27%	0.273	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153	-176.3	62.4	0	0	0	0	110.6	H27 S28 S92	H27-S43 WeakPolarHBondContact CA-O 3.29Å; S28-S43 PolarHBondContact N-O 3.19Å; S28-S43 PolarHBondContact O-N 3.2Å; S28-S43 PolarHBondContact O-OG 3.15Å; S43-S92 CarbonylContact C-O 3.48Å; S43-S92 WeakPolarHBondContact CA-O 3.34Å
44	C	97.5	Very high	96	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.3	176.7	161.3	0	0	0	0	107	E26 W56 G91 S92 C109	E26-C44 CarbonylContact O-C 3.54Å; E26-C44 VanDerWaalsContact O-CA 3.29Å; E26-C44 WeakPolarHBondContact O-CA 3.36Å; C44-W56 HydrophobicContact CB-CH2 3.75Å; C44-W56 HydrophobicContact CB-CZ2 3.8Å; C44-G91 CarbonylContact O-C 3.58Å; C44-G91 VanDerWaalsContact O-C 3.28Å; C44-G91 WeakPolarHBondContact O-CA 3.36Å; C44-S92 PolarHBondContact N-O 2.81Å; C44-S92 PolarHBondContact O-N 3.07Å; C44-C109 HydrophobicContact CB-CB 3.6Å; C44-C109 WeakPolarHBondContact CB-SG 3.35Å; C44-C109 WeakPolarHBondContact SG-CB 2.9Å; C44-C109 CovalentContact SG-SG 2Å; C44-C109 PolarHBondContact SG-SG 2.98Å
45	T	97.7	Very high	96	Very high	64 Å²	64	63.3 Å²	63.3	39%	0.393	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.5	170.8	44.8	0	0	0	0	108.9	V25 E26 N90	V25-T45 CarbonylContact C-O 3.52Å; V25-T45 VanDerWaalsContact CA-O 3.32Å; V25-T45 WeakPolarHBondContact CA-O 3.4Å; E26-T45 PolarHBondContact N-O 2.92Å; E26-T45 PolarHBondContact O-N 2.81Å; T45-N90 WeakPolarHBondContact CA-O 3.22Å
46	Y	96	Very high	96.1	Very high	20 Å²	20	56.3 Å²	56.3	8%	0.078	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.8	-179.2	58.9	-101.1	0	0	0	112.1	Q24 V48 F51 L54 L87 L88 K89 N90 G91 V111	Q24-Y46 CarbonylContact O-C 3.55Å; Q24-Y46 VanDerWaalsContact O-CA 3.23Å; Q24-Y46 WeakPolarHBondContact O-CA 2.93Å; Y46-V48 HydrophobicContact CD2-CG2 3.99Å; Y46-V48 HydrophobicContact CE2-CG2 4.33Å; Y46-F51 HydrophobicContact CE1-CE2 4.21Å; Y46-F51 AromaticContact CE2-CD2 3.76Å; Y46-F51 HydrophobicContact CE2-CD2 3.76Å; Y46-F51 HydrophobicContact CE2-CE2 4.19Å; Y46-F51 AromaticContact CZ-CD2 3.72Å; Y46-F51 AromaticContact CZ-CE2 3.66Å; Y46-F51 WeakPolarHBondContact OH-CE2 3.37Å; Y46-L54 HydrophobicContact CD1-CD1 3.8Å; Y46-L54 HydrophobicContact CE1-CD1 3.58Å; Y46-L87 HydrophobicContact CE1-CD1 4.44Å; Y46-L88 PolarHBondContact OH-O 2.89Å; Y46-K89 PolarHBondContact OH-O 2.66Å; Y46-K89 VanDerWaalsContact OH-O 3.04Å; Y46-N90 PolarHBondContact N-O 2.75Å; Y46-G91 VanDerWaalsContact CE1-CA 3.45Å; Y46-V111 HydrophobicContact CD1-CG2 3.66Å; Y46-V111 HydrophobicContact CD2-CG2 4.31Å; Y46-V111 HydrophobicContact CE1-CG2 4.31Å; Y46-V111 HydrophobicContact CG-CG2 3.67Å
47	S	95.2	Very high	96.1	Very high	61 Å²	61	52.4 Å²	52.4	43%	0.427	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	104	166.9	169	0	0	0	0	107.2	N23 Q24	N23-S47 VanDerWaalsContact CA-O 3.31Å; N23-S47 WeakPolarHBondContact CA-O 3.4Å; Q24-S47 PolarHBondContact N-O 2.93Å; Q24-S47 PolarHBondContact O-N 3.37Å
48	V	92.7	Very high	96.1	Very high	35 Å²	35	53 Å²	53	21%	0.212	28%	0.281	C	S	.	.			trans	-126	146.4	178.6	-61.9	0	0	0	0	110.1	N23 Y46 R50 F51 V111	N23-V48 HydrophobicContact CB-CG1 4.16Å; N23-V48 WeakPolarHBondContact OD1-CA 3.35Å; Y46-V48 HydrophobicContact CD2-CG2 3.99Å; Y46-V48 HydrophobicContact CE2-CG2 4.33Å; V48-R50 VanDerWaalsContact CG2-O 3.31Å; V48-R50 WeakPolarHBondContact CG2-O 3.32Å; V48-F51 HydrophobicContact CG2-CB 4.19Å; V48-V111 HydrophobicContact CB-CG1 4.43Å; V48-V111 HydrophobicContact CG1-CB 4.11Å; V48-V111 HydrophobicContact CG1-CG1 3.92Å; V48-V111 HydrophobicContact CG2-CG1 3.79Å
49	S	90.1	Very high	96.1	Very high	104 Å²	104	52.6 Å²	52.6	73%	0.727	28%	0.277	S	S	*	.	S	Bend	trans	-71	-29.7	178.8	56.8	0	0	0	0	113.7	N23	N23-S49 PolarHBondContact OD1-N 3.08Å
50	R	89.8	Confident	96	Very high	212 Å²	212	50.4 Å²	50.4	80%	0.8	26%	0.262	S	S	*	.	S	Bend	trans	-136.7	131.9	174.8	-64.6	-176.3	-178.4	175.7	1	108.3	V48	V48-R50 VanDerWaalsContact CG2-O 3.31Å; V48-R50 WeakPolarHBondContact CG2-O 3.32Å
51	F	92.6	Very high	95.9	Very high	76 Å²	76	56.6 Å²	56.6	33%	0.333	30%	0.299	S	S	.	.			trans	-110.4	121.8	175.4	177.1	-88.4	0	0	0	108.8	Y46 V48 L54 L87 V111	Y46-F51 HydrophobicContact CE1-CE2 4.21Å; Y46-F51 AromaticContact CE2-CD2 3.76Å; Y46-F51 HydrophobicContact CE2-CD2 3.76Å; Y46-F51 HydrophobicContact CE2-CE2 4.19Å; Y46-F51 AromaticContact CZ-CD2 3.72Å; Y46-F51 AromaticContact CZ-CE2 3.66Å; Y46-F51 WeakPolarHBondContact OH-CE2 3.37Å; V48-F51 HydrophobicContact CG2-CB 4.19Å; F51-L54 HydrophobicContact CE2-CB 4.05Å; F51-L54 HydrophobicContact CZ-CB 4.26Å; F51-L87 HydrophobicContact CE1-CD2 4.19Å; F51-L87 HydrophobicContact CE2-CD1 4.41Å; F51-L87 HydrophobicContact CZ-CD1 4.14Å; F51-L87 HydrophobicContact CZ-CD2 3.65Å; F51-L87 HydrophobicContact CZ-CG 4.49Å; F51-V111 HydrophobicContact CD2-CG1 3.68Å; F51-V111 HydrophobicContact CE2-CG1 4.07Å
52	N	94.1	Very high	95.8	Very high	97 Å²	97	58.4 Å²	58.4	52%	0.519	33%	0.325	S	S	.	.			trans	-104.5	-52.5	170.4	-175	42.8	0	0	0	110.6	D112	N52-D112 WeakPolarHBondContact CA-O 3.35Å; N52-D112 HydrophobicContact CB-CB 4.48Å; N52-D112 VanDerWaalsContact CB-O 3.26Å; N52-D112 WeakPolarHBondContact CB-O 3.13Å; N52-D112 PolarHBondContact N-O 3.17Å; N52-D112 PolarHBondContact ND2-OD2 3Å
53	N	95.6	Very high	95.8	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.032	34%	0.342	C	S	.	.			trans	-160.3	163.9	176.1	65.5	92.3	0	0	0	111.9	Q55 M71 Y72 D112	N53-Q55 WeakPolarHBondContact OD1-CG 3.31Å; N53-Q55 PolarHBondContact OD1-NE2 3.2Å; N53-M71 WeakPolarHBondContact CA-O 3.47Å; N53-M71 WeakPolarHBondContact CB-O 3.23Å; N53-Y72 HydrophobicContact CB-CD1 3.6Å; N53-Y72 HydrophobicContact CB-CE1 3.72Å; N53-Y72 HydrophobicContact CB-CG 4.42Å; N53-D112 PolarHBondContact N-O 3.09Å; N53-D112 PolarHBondContact ND2-OD2 3.49Å; N53-D112 VanDerWaalsContact ND2-OD2 3.17Å; N53-D112 PolarHBondContact O-N 2.8Å
54	L	97.4	Very high	95.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.2	169.9	-177.8	149.4	0	0	0	110.2	Y46 F51 W56 S70 M71 L87 C109 A110 V111	Y46-L54 HydrophobicContact CD1-CD1 3.8Å; Y46-L54 HydrophobicContact CE1-CD1 3.58Å; F51-L54 HydrophobicContact CE2-CB 4.05Å; F51-L54 HydrophobicContact CZ-CB 4.26Å; L54-W56 VanDerWaalsContact CD2-CD1 3.45Å; L54-W56 HydrophobicContact CD2-CG 4.28Å; L54-S70 CarbonylContact O-C 3.46Å; L54-S70 WeakPolarHBondContact O-CA 3.09Å; L54-M71 HydrophobicContact CB-CB 4.45Å; L54-M71 HydrophobicContact CD2-CG 4.43Å; L54-M71 PolarHBondContact N-O 3.29Å; L54-M71 PolarHBondContact O-N 3.23Å; L54-L87 HydrophobicContact CB-CD1 3.99Å; L54-L87 HydrophobicContact CD1-CD1 4.16Å; L54-C109 HydrophobicContact CD1-CB 4.28Å; L54-C109 HydrophobicContact CD2-CB 4.1Å; L54-C109 HydrophobicContact CG-CB 4.21Å; L54-A110 WeakPolarHBondContact CA-O 3.23Å; L54-V111 HydrophobicContact CD1-CG2 4.23Å
55	Q	97.3	Very high	95.8	Very high	45 Å²	45	65.7 Å²	65.7	21%	0.21	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.9	-179	-55.6	-169.3	-9.3	0	0	110.4	N53 Y57 L69 C109 A110	N53-Q55 WeakPolarHBondContact OD1-CG 3.31Å; N53-Q55 PolarHBondContact OD1-NE2 3.2Å; Q55-Y57 HydrophobicContact CB-CD2 4.38Å; Q55-Y57 HydrophobicContact CB-CE2 3.62Å; Q55-Y57 PolarHBondContact OE1-OH 2.86Å; Q55-L69 WeakPolarHBondContact CA-O 3.18Å; Q55-C109 CarbonylContact O-C 3.57Å; Q55-C109 WeakPolarHBondContact O-CA 3.44Å; Q55-A110 PolarHBondContact N-O 2.71Å; Q55-A110 PolarHBondContact O-N 3.42Å
56	W	98.2	Very high	95.8	Very high	1 Å²	1	68.2 Å²	68.2	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.4	172.2	-78.6	95.5	0	0	0	110.5	M42 C44 L54 L68 L69 S92 L94 C109	M42-W56 HydrophobicContact CG-CH2 4.02Å; M42-W56 HydrophobicContact CG-CZ3 4.01Å; C44-W56 HydrophobicContact CB-CH2 3.75Å; C44-W56 HydrophobicContact CB-CZ2 3.8Å; L54-W56 VanDerWaalsContact CD2-CD1 3.45Å; L54-W56 HydrophobicContact CD2-CG 4.28Å; W56-L68 HydrophobicContact CB-CB 4.35Å; W56-L68 HydrophobicContact CB-CD1 4.41Å; W56-L68 WeakPolarHBondContact O-CB 3.39Å; W56-L68 PolarHBondContact O-N 2.81Å; W56-L69 HydrophobicContact CB-CD1 4.04Å; W56-L69 HydrophobicContact CB-CG 4.06Å; W56-L69 HydrophobicContact CG-CD1 4.12Å; W56-L69 PolarHBondContact N-O 3.27Å; W56-S92 PolarHBondContact NE1-OG 2.84Å; W56-L94 HydrophobicContact CD2-CB 3.97Å; W56-L94 HydrophobicContact CD2-CD2 3.99Å; W56-L94 HydrophobicContact CD2-CG 4.4Å; W56-L94 HydrophobicContact CE3-CB 4.13Å; W56-L94 HydrophobicContact CE3-CD2 3.75Å; W56-L94 HydrophobicContact CG-CD1 4.46Å; W56-L94 HydrophobicContact CG-CD2 4.43Å; W56-L94 HydrophobicContact CH2-CB 3.91Å; W56-L94 HydrophobicContact CZ2-CB 3.75Å; W56-L94 HydrophobicContact CZ3-CB 4.1Å; W56-L94 HydrophobicContact CZ3-CD2 4.2Å; W56-C109 HydrophobicContact CD2-CB 4.21Å; W56-C109 HydrophobicContact CE3-CB 4.19Å; W56-C109 HydrophobicContact CH2-CB 4.38Å; W56-C109 HydrophobicContact CZ2-CB 4.37Å; W56-C109 HydrophobicContact CZ3-CB 4.28Å
57	Y	98.1	Very high	95.8	Very high	51 Å²	51	71.5 Å²	71.5	20%	0.2	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.7	179.4	-67.1	-93.7	0	0	0	110.9	Q55 P65 K66 H67 Y107 F108 A110	Q55-Y57 HydrophobicContact CB-CD2 4.38Å; Q55-Y57 HydrophobicContact CB-CE2 3.62Å; Q55-Y57 PolarHBondContact OE1-OH 2.86Å; Y57-P65 HydrophobicContact CD1-CB 4.04Å; Y57-K66 VanDerWaalsContact CA-O 3.32Å; Y57-K66 WeakPolarHBondContact CA-O 3.36Å; Y57-H67 HydrophobicContact CD1-CB 4.33Å; Y57-H67 HydrophobicContact CE1-CB 4.06Å; Y57-Y107 WeakPolarHBondContact O-CA 3.47Å; Y57-F108 HydrophobicContact CD2-CD2 4.37Å; Y57-F108 AromaticContact CD2-CE2 3.98Å; Y57-F108 HydrophobicContact CD2-CE2 3.98Å; Y57-F108 HydrophobicContact CG-CE2 4Å; Y57-F108 HydrophobicContact CG-CZ 4.18Å; Y57-F108 PolarHBondContact N-O 2.89Å; Y57-F108 PolarHBondContact O-N 2.82Å; Y57-A110 HydrophobicContact CE2-CB 3.98Å
58	R	97.7	Very high	95.9	Very high	59 Å²	59	69.6 Å²	69.6	22%	0.223	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.4	166.7	173.5	-179.8	165.6	166.4	5	108.9	N60 K66 L68 E102 A105 T106 Y107	R58-N60 VanDerWaalsContact CZ-OD1 3.29Å; R58-N60 PolarHBondContact NE-OD1 3.15Å; R58-N60 PolarHBondContact NH2-OD1 2.89Å; R58-K66 PolarHBondContact N-O 3.18Å; R58-K66 PolarHBondContact O-N 2.75Å; R58-L68 HydrophobicContact CB-CD1 3.89Å; R58-L68 HydrophobicContact CB-CD2 3.74Å; R58-L68 HydrophobicContact CB-CG 3.88Å; R58-E102 PolarHBondContact NH1-O 2.94Å; R58-E102 PolarHBondContact NH2-O 2.76Å; R58-A105 HydrophobicContact CG-CB 3.63Å; R58-T106 CarbonylContact C-O 3.57Å; R58-T106 WeakPolarHBondContact CA-O 3.2Å; R58-Y107 HydrophobicContact CB-CD1 4.34Å; R58-Y107 HydrophobicContact CB-CE1 4.09Å; R58-Y107 HydrophobicContact CG-CE1 4.23Å
59	Q	98.3	Very high	96.1	Very high	64 Å²	64	68 Å²	68	30%	0.299	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.7	174.6	-172.3	173.2	19.2	0	0	110	M63 A105 T106 F108	Q59-M63 WeakPolarHBondContact CG-O 3.37Å; Q59-M63 PolarHBondContact NE2-O 2.82Å; Q59-A105 WeakPolarHBondContact O-CB 3.45Å; Q59-T106 PolarHBondContact N-O 3.15Å; Q59-T106 PolarHBondContact O-N 3.49Å; Q59-F108 HydrophobicContact CB-CE1 4.09Å
60	N	97.2	Very high	96.4	Very high	48 Å²	48	63.6 Å²	63.6	26%	0.257	34%	0.34	S	S	.	.			trans	-74	150	170.1	-66.9	-8.4	0	0	0	109.4	R58 G62 M63	R58-N60 VanDerWaalsContact CZ-OD1 3.29Å; R58-N60 PolarHBondContact NE-OD1 3.15Å; R58-N60 PolarHBondContact NH2-OD1 2.89Å; N60-G62 PolarHBondContact O-N 2.75Å; N60-M63 HydrophobicContact CB-CB 4.15Å; N60-M63 HydrophobicContact CB-CG 3.97Å; N60-M63 HydrophobicContact CB-SD 3.77Å; N60-M63 WeakPolarHBondContact O-CB 3.47Å; N60-M63 PolarHBondContact O-N 2.79Å
61	T	94.4	Very high	96.7	Very high	140 Å²	140	53.5 Å²	53.5	86%	0.859	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	127.2	177.2	-51.7	0	0	0	0	111.3	M63	T61-M63 PolarHBondContact O-N 2.85Å
62	G	96.1	Very high	96.8	Very high	87 Å²	87	56.7 Å²	56.7	90%	0.897	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	1.1	-179.4	0	0	0	0	0	115.5	N60	N60-G62 PolarHBondContact O-N 2.75Å
63	M	97.1	Very high	96.7	Very high	88 Å²	88	55.1 Å²	55.1	43%	0.433	31%	0.31	S	S	.	.	S	Bend	trans	-106.6	162.2	176.3	-56.1	-168.1	77.4	0	0	111.6	Q59 N60 T61	Q59-M63 WeakPolarHBondContact CG-O 3.37Å; Q59-M63 PolarHBondContact NE2-O 2.82Å; N60-M63 HydrophobicContact CB-CB 4.15Å; N60-M63 HydrophobicContact CB-CG 3.97Å; N60-M63 HydrophobicContact CB-SD 3.77Å; N60-M63 WeakPolarHBondContact O-CB 3.47Å; N60-M63 PolarHBondContact O-N 2.79Å; T61-M63 PolarHBondContact O-N 2.85Å
64	G	97.4	Very high	96.6	Very high	47 Å²	47	57.9 Å²	57.9	49%	0.485	33%	0.333	S	S	.	.			trans	-73.6	163.5	170.6	0	0	0	0	0	113
65	P	98.1	Very high	96.3	Very high	74 Å²	74	61 Å²	61	48%	0.481	37%	0.366	S	S	.	.			trans	-59.4	136.7	174.6	-24.7	35.7	0	0	0	112.7	Y57 F108	Y57-P65 HydrophobicContact CD1-CB 4.04Å; P65-F108 HydrophobicContact CB-CE1 4.38Å; P65-F108 HydrophobicContact CB-CZ 3.76Å; P65-F108 HydrophobicContact CG-CE1 4.44Å; P65-F108 HydrophobicContact CG-CZ 3.82Å
66	K	98.1	Very high	96	Very high	118 Å²	118	65 Å²	65	51%	0.513	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.8	171.6	-67.5	-175	178.2	-179.9	0	109.8	Y57 R58	Y57-K66 VanDerWaalsContact CA-O 3.32Å; Y57-K66 WeakPolarHBondContact CA-O 3.36Å; R58-K66 PolarHBondContact N-O 3.18Å; R58-K66 PolarHBondContact O-N 2.75Å
67	H	97.4	Very high	95.8	Very high	89 Å²	89	70.4 Å²	70.4	41%	0.412	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	134.4	175.3	176.9	-93.8	0	0	0	111.1	Y57 L69 S70	Y57-H67 HydrophobicContact CD1-CB 4.33Å; Y57-H67 HydrophobicContact CE1-CB 4.06Å; H67-L69 VanDerWaalsContact NE2-C 3.35Å; H67-L69 PolarHBondContact NE2-O 2Å; H67-S70 PolarHBondContact NE2-OG 2.89Å
68	L	96.9	Very high	95.7	Very high	21 Å²	21	71.2 Å²	71.2	11%	0.11	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-58.2	175.5	-66.5	175.1	0	0	0	111.3	W56 R58 K80 L83 L94 Y107	W56-L68 HydrophobicContact CB-CB 4.35Å; W56-L68 HydrophobicContact CB-CD1 4.41Å; W56-L68 WeakPolarHBondContact O-CB 3.39Å; W56-L68 PolarHBondContact O-N 2.81Å; R58-L68 HydrophobicContact CB-CD1 3.89Å; R58-L68 HydrophobicContact CB-CD2 3.74Å; R58-L68 HydrophobicContact CB-CG 3.88Å; L68-K80 PolarHBondContact O-NZ 3.07Å; L68-L83 HydrophobicContact CD1-CD1 4.16Å; L68-L83 HydrophobicContact CD2-CD1 4.01Å; L68-L83 HydrophobicContact CG-CD1 4.49Å; L68-L94 HydrophobicContact CD1-CD2 4.38Å; L68-Y107 HydrophobicContact CD1-CD1 3.71Å; L68-Y107 HydrophobicContact CD1-CE1 3.76Å
69	L	96.6	Very high	95.6	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.01	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	153.3	-173.4	59.9	86.6	0	0	0	111.2	Q55 W56 H67 M71 K78 A85 L94	Q55-L69 WeakPolarHBondContact CA-O 3.18Å; W56-L69 HydrophobicContact CB-CD1 4.04Å; W56-L69 HydrophobicContact CB-CG 4.06Å; W56-L69 HydrophobicContact CG-CD1 4.12Å; W56-L69 PolarHBondContact N-O 3.27Å; H67-L69 VanDerWaalsContact NE2-C 3.35Å; H67-L69 PolarHBondContact NE2-O 2Å; L69-M71 HydrophobicContact CD1-CG 3.66Å; L69-M71 HydrophobicContact CD1-SD 3.69Å; L69-K78 HydrophobicContact CB-CD 4.12Å; L69-A85 HydrophobicContact CD1-CB 3.58Å; L69-A85 HydrophobicContact CD2-CB 3.71Å; L69-A85 HydrophobicContact CG-CB 4.32Å; L69-L94 HydrophobicContact CD2-CD1 4.15Å
70	S	96.2	Very high	95.5	Very high	10 Å²	10	78.1 Å²	78.1	7%	0.07	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143	171.8	-50.4	0	0	0	0	110.4	L54 H67 K78	L54-S70 CarbonylContact O-C 3.46Å; L54-S70 WeakPolarHBondContact O-CA 3.09Å; H67-S70 PolarHBondContact NE2-OG 2.89Å; S70-K78 WeakPolarHBondContact O-CD 3.39Å; S70-K78 PolarHBondContact O-NZ 2.84Å
71	M	96.2	Very high	95.4	Very high	0 Å²	0	79 Å²	79	0%	0	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.5	-176.8	-55.4	-67.3	-75	0	0	109.4	N53 L54 L69 Y76 K78 A85 L87	N53-M71 WeakPolarHBondContact CA-O 3.47Å; N53-M71 WeakPolarHBondContact CB-O 3.23Å; L54-M71 HydrophobicContact CB-CB 4.45Å; L54-M71 HydrophobicContact CD2-CG 4.43Å; L54-M71 PolarHBondContact N-O 3.29Å; L54-M71 PolarHBondContact O-N 3.23Å; L69-M71 HydrophobicContact CD1-CG 3.66Å; L69-M71 HydrophobicContact CD1-SD 3.69Å; M71-Y76 HydrophobicContact CE-CD1 4.34Å; M71-Y76 WeakPolarHBondContact CE-O 3.16Å; M71-K78 HydrophobicContact CE-CB 4.27Å; M71-K78 HydrophobicContact SD-CB 3.5Å; M71-K78 VanDerWaalsContact SD-CB 3.5Å; M71-K78 HydrophobicContact SD-CD 4.16Å; M71-K78 HydrophobicContact SD-CG 4.47Å; M71-A85 HydrophobicContact CE-CB 4.18Å; M71-A85 WeakPolarHBondContact CE-O 3.1Å; M71-A85 HydrophobicContact SD-CB 3.97Å; M71-L87 HydrophobicContact CB-CB 3.97Å; M71-L87 HydrophobicContact CB-CD1 4.43Å; M71-L87 HydrophobicContact CB-CD2 3.77Å; M71-L87 HydrophobicContact CB-CG 4.29Å; M71-L87 HydrophobicContact CE-CB 3.72Å; M71-L87 VanDerWaalsContact CE-N 3.31Å; M71-L87 HydrophobicContact CG-CB 4.49Å
72	Y	95	Very high	95.5	Very high	144 Å²	144	76.2 Å²	76.2	57%	0.565	44%	0.437	S	S	*	.			trans	-116.6	-25	-169.6	-63.5	-83.4	0	0	0	114.6	N53	N53-Y72 HydrophobicContact CB-CD1 3.6Å; N53-Y72 HydrophobicContact CB-CE1 3.72Å; N53-Y72 HydrophobicContact CB-CG 4.42Å
73	S	92.2	Very high	95.6	Very high	63 Å²	63	73.1 Å²	73.1	44%	0.441	40%	0.399	S	S	.	.	S	Bend	trans	-136.4	136.5	-176.5	49.3	0	0	0	0	112	Y76 L87	S73-Y76 VanDerWaalsContact O-CB 3.23Å; S73-Y76 WeakPolarHBondContact O-CB 3.48Å; S73-Y76 PolarHBondContact O-N 3.02Å; S73-L87 VanDerWaalsContact C-CD2 3.46Å; S73-L87 WeakPolarHBondContact O-CD2 3.29Å
74	A	93	Very high	95.6	Very high	64 Å²	64	70.8 Å²	70.8	53%	0.529	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	141.3	174.3	0	0	0	0	0	110.8	Y76 L87	A74-Y76 VanDerWaalsContact C-N 3.26Å; A74-Y76 PolarHBondContact O-N 2.78Å; A74-L87 CarbonylContact C-O 3.51Å; A74-L87 WeakPolarHBondContact CA-O 3.41Å
75	G	91.2	Very high	95.7	Very high	67 Å²	67	68.5 Å²	68.5	69%	0.691	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-9	-173.2	0	0	0	0	0	114.4	L87	G75-L87 PolarHBondContact N-O 2.97Å
76	Y	89.7	Confident	95.7	Very high	128 Å²	128	66 Å²	66	50%	0.502	35%	0.348	S	S	.	.			trans	-79.3	138.6	173.9	-171.2	-101.5	0	0	0	111.2	M71 S73 A74 K78 L87	M71-Y76 HydrophobicContact CE-CD1 4.34Å; M71-Y76 WeakPolarHBondContact CE-O 3.16Å; S73-Y76 VanDerWaalsContact O-CB 3.23Å; S73-Y76 WeakPolarHBondContact O-CB 3.48Å; S73-Y76 PolarHBondContact O-N 3.02Å; A74-Y76 VanDerWaalsContact C-N 3.26Å; A74-Y76 PolarHBondContact O-N 2.78Å; Y76-K78 HydrophobicContact CD1-CB 4.42Å; Y76-K78 HydrophobicContact CE1-CB 3.95Å; Y76-K78 HydrophobicContact CE1-CD 4.47Å; Y76-K78 HydrophobicContact CE1-CG 4.47Å; Y76-L87 PolarHBondContact O-N 3.1Å; Y76-L87 VanDerWaalsContact O-N 3.15Å
77	E	95.3	Very high	95.6	Very high	115 Å²	115	60.4 Å²	60.4	54%	0.537	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.1	172.4	-64.4	-169.3	-179.6	0	0	110.6	A85 T86	E77-A85 CarbonylContact C-O 3.56Å; E77-A85 VanDerWaalsContact CA-O 3.29Å; E77-A85 WeakPolarHBondContact CA-O 3.45Å; E77-T86 HydrophobicContact CG-CG2 4.05Å
78	K	96	Very high	95.6	Very high	68 Å²	68	60.3 Å²	60.3	30%	0.296	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	118.6	179.7	-170.9	164.4	176.7	167.7	0	110.8	L69 S70 M71 Y76 N84 A85	L69-K78 HydrophobicContact CB-CD 4.12Å; S70-K78 WeakPolarHBondContact O-CD 3.39Å; S70-K78 PolarHBondContact O-NZ 2.84Å; M71-K78 HydrophobicContact CE-CB 4.27Å; M71-K78 HydrophobicContact SD-CB 3.5Å; M71-K78 VanDerWaalsContact SD-CB 3.5Å; M71-K78 HydrophobicContact SD-CD 4.16Å; M71-K78 HydrophobicContact SD-CG 4.47Å; Y76-K78 HydrophobicContact CD1-CB 4.42Å; Y76-K78 HydrophobicContact CE1-CB 3.95Å; Y76-K78 HydrophobicContact CE1-CD 4.47Å; Y76-K78 HydrophobicContact CE1-CG 4.47Å; K78-N84 PolarHBondContact O-OD1 3.43Å; K78-A85 PolarHBondContact N-O 3.31Å; K78-A85 PolarHBondContact O-N 2.85Å
79	Q	96.1	Very high	95.4	Very high	151 Å²	151	67.6 Å²	67.6	71%	0.706	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.9	175.8	-164.6	177.9	25.3	0	0	111.5	L83	Q79-L83 CarbonylContact C-O 3.6Å; Q79-L83 WeakPolarHBondContact CA-O 3.42Å; Q79-L83 WeakPolarHBondContact CG-O 3.29Å
80	K	95.3	Very high	95.3	Very high	117 Å²	117	72.5 Å²	72.5	51%	0.509	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	94.4	171.5	-173.5	-177.9	-175.6	-178.5	0	109.3	L68 R82 L83	L68-K80 PolarHBondContact O-NZ 3.07Å; K80-R82 PolarHBondContact O-N 2.85Å; K80-L83 PolarHBondContact N-O 2.94Å; K80-L83 WeakPolarHBondContact O-CB 3.04Å; K80-L83 PolarHBondContact O-N 3.22Å
81	G	95.8	Very high	95.3	Very high	65 Å²	65	72.2 Å²	72.2	67%	0.67	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-122.1	-174.4	0	0	0	0	0	110.8	L83	G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 2.96Å
82	R	96.8	Very high	95.4	Very high	83 Å²	83	72.2 Å²	72.2	31%	0.313	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.8	177.1	-64.8	-174.6	-61.4	101.5	1	114	K80 I96 T97 A98 D103	K80-R82 PolarHBondContact O-N 2.85Å; R82-I96 WeakPolarHBondContact O-CA 3.1Å; R82-T97 WeakPolarHBondContact CB-O 3.4Å; R82-T97 WeakPolarHBondContact CD-O 3.26Å; R82-T97 PolarHBondContact NH1-O 3.34Å; R82-T97 VanDerWaalsContact NH1-O 3.1Å; R82-T97 PolarHBondContact O-N 2.92Å; R82-T97 PolarHBondContact O-OG1 2.85Å; R82-A98 PolarHBondContact NH1-O 2.79Å; R82-A98 VanDerWaalsContact NH1-O 3.1Å; R82-D103 IonicContact CZ-OD1 3.66Å; R82-D103 IonicContact CZ-OD2 3.21Å; R82-D103 IonicContact NH1-OD1 3.73Å; R82-D103 IonicContact NH1-OD2 2.66Å; R82-D103 PolarHBondContact NH1-OD2 2.91Å; R82-D103 IonicContact NH2-OD1 2.75Å; R82-D103 PolarHBondContact NH2-OD1 3.3Å; R82-D103 IonicContact NH2-OD2 2.9Å; R82-D103 PolarHBondContact NH2-OD2 3.28Å
83	L	97.5	Very high	95.6	Very high	21 Å²	21	66.2 Å²	66.2	11%	0.11	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.4	176.5	-61.3	174.6	0	0	0	110.7	L68 Q79 K80 G81 L94 Y95 I96	L68-L83 HydrophobicContact CD1-CD1 4.16Å; L68-L83 HydrophobicContact CD2-CD1 4.01Å; L68-L83 HydrophobicContact CG-CD1 4.49Å; Q79-L83 CarbonylContact C-O 3.6Å; Q79-L83 WeakPolarHBondContact CA-O 3.42Å; Q79-L83 WeakPolarHBondContact CG-O 3.29Å; K80-L83 PolarHBondContact N-O 2.94Å; K80-L83 WeakPolarHBondContact O-CB 3.04Å; K80-L83 PolarHBondContact O-N 3.22Å; G81-L83 VanDerWaalsContact C-N 3.28Å; G81-L83 PolarHBondContact O-N 2.96Å; L83-L94 HydrophobicContact CB-CD1 4.48Å; L83-L94 HydrophobicContact CD2-CD1 4.44Å; L83-Y95 CarbonylContact C-O 3.44Å; L83-Y95 VanDerWaalsContact CA-O 3.29Å; L83-Y95 WeakPolarHBondContact CA-O 3.36Å; L83-I96 HydrophobicContact CD2-CB 4.19Å; L83-I96 HydrophobicContact CD2-CD1 3.83Å; L83-I96 HydrophobicContact CD2-CG1 3.56Å; L83-I96 HydrophobicContact CD2-CG2 4.09Å
84	N	97.5	Very high	95.9	Very high	39 Å²	39	63.2 Å²	63.2	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.5	163.9	-170	11.5	0	0	0	109.3	K78 L94 Y95	K78-N84 PolarHBondContact O-OD1 3.43Å; N84-L94 CarbonylContact O-C 3.52Å; N84-L94 WeakPolarHBondContact O-CA 3.44Å; N84-Y95 PolarHBondContact N-O 2.94Å; N84-Y95 PolarHBondContact O-N 2.73Å
85	A	98.2	Very high	96.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.8	174.4	0	0	0	0	0	110.9	L69 M71 E77 K78 S93 L94	L69-A85 HydrophobicContact CD1-CB 3.58Å; L69-A85 HydrophobicContact CD2-CB 3.71Å; L69-A85 HydrophobicContact CG-CB 4.32Å; M71-A85 HydrophobicContact CE-CB 4.18Å; M71-A85 WeakPolarHBondContact CE-O 3.1Å; M71-A85 HydrophobicContact SD-CB 3.97Å; E77-A85 CarbonylContact C-O 3.56Å; E77-A85 VanDerWaalsContact CA-O 3.29Å; E77-A85 WeakPolarHBondContact CA-O 3.45Å; K78-A85 PolarHBondContact N-O 3.31Å; K78-A85 PolarHBondContact O-N 2.85Å; A85-S93 CarbonylContact C-O 3.58Å; A85-S93 WeakPolarHBondContact CA-O 3.46Å; A85-L94 HydrophobicContact CB-CD1 3.91Å
86	T	97.8	Very high	96.4	Very high	20 Å²	20	61 Å²	61	12%	0.123	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.9	175	-51.4	0	0	0	0	108.5	E77 L88 S92 S93	E77-T86 HydrophobicContact CG-CG2 4.05Å; T86-L88 HydrophobicContact CG2-CD2 4.15Å; T86-S92 CarbonylContact O-C 3.59Å; T86-S92 WeakPolarHBondContact O-CA 3.35Å; T86-S92 WeakPolarHBondContact O-CB 3.3Å; T86-S92 PolarHBondContact O-OG 2.9Å; T86-S93 PolarHBondContact N-O 2.85Å; T86-S93 PolarHBondContact O-N 2.72Å
87	L	97.9	Very high	96.8	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.1	173.3	-177.6	61.4	0	0	0	109.6	Y46 F51 L54 M71 S73 A74 G75 Y76 G91	Y46-L87 HydrophobicContact CE1-CD1 4.44Å; F51-L87 HydrophobicContact CE1-CD2 4.19Å; F51-L87 HydrophobicContact CE2-CD1 4.41Å; F51-L87 HydrophobicContact CZ-CD1 4.14Å; F51-L87 HydrophobicContact CZ-CD2 3.65Å; F51-L87 HydrophobicContact CZ-CG 4.49Å; L54-L87 HydrophobicContact CB-CD1 3.99Å; L54-L87 HydrophobicContact CD1-CD1 4.16Å; M71-L87 HydrophobicContact CB-CB 3.97Å; M71-L87 HydrophobicContact CB-CD1 4.43Å; M71-L87 HydrophobicContact CB-CD2 3.77Å; M71-L87 HydrophobicContact CB-CG 4.29Å; M71-L87 HydrophobicContact CE-CB 3.72Å; M71-L87 VanDerWaalsContact CE-N 3.31Å; M71-L87 HydrophobicContact CG-CB 4.49Å; S73-L87 VanDerWaalsContact C-CD2 3.46Å; S73-L87 WeakPolarHBondContact O-CD2 3.29Å; A74-L87 CarbonylContact C-O 3.51Å; A74-L87 WeakPolarHBondContact CA-O 3.41Å; G75-L87 PolarHBondContact N-O 2.97Å; Y76-L87 PolarHBondContact O-N 3.1Å; Y76-L87 VanDerWaalsContact O-N 3.15Å; L87-G91 WeakPolarHBondContact CD1-O 3.37Å
88	L	95.8	Very high	96.9	Very high	88 Å²	88	54.4 Å²	54.4	46%	0.461	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	176.1	176.5	-50.6	175.3	0	0	0	109.1	Y46 T86 N90 G91	Y46-L88 PolarHBondContact OH-O 2.89Å; T86-L88 HydrophobicContact CG2-CD2 4.15Å; L88-N90 PolarHBondContact O-N 2.9Å; L88-G91 CarbonylContact C-O 3.56Å; L88-G91 VanDerWaalsContact CA-O 3.3Å; L88-G91 WeakPolarHBondContact CA-O 3.16Å; L88-G91 VanDerWaalsContact CB-O 3.28Å; L88-G91 WeakPolarHBondContact CB-O 3.28Å; L88-G91 PolarHBondContact N-O 3.1Å
89	K	93.6	Very high	97	Very high	174 Å²	174	51.9 Å²	51.9	76%	0.757	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-47.5	-179.1	-173.4	-179.4	177	-179.6	0	112.9	Y46	Y46-K89 PolarHBondContact OH-O 2.66Å; Y46-K89 VanDerWaalsContact OH-O 3.04Å
90	N	94.6	Very high	97.1	Very high	105 Å²	105	47.3 Å²	47.3	56%	0.561	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	33.2	-176.8	-64.7	-10.6	0	0	0	111.4	T45 Y46 L88	T45-N90 WeakPolarHBondContact CA-O 3.22Å; Y46-N90 PolarHBondContact N-O 2.75Å; L88-N90 PolarHBondContact O-N 2.9Å
91	G	96.7	Very high	97.2	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	178.5	-178.7	0	0	0	0	0	113.4	C44 Y46 L87 L88	C44-G91 CarbonylContact O-C 3.58Å; C44-G91 VanDerWaalsContact O-C 3.28Å; C44-G91 WeakPolarHBondContact O-CA 3.36Å; Y46-G91 VanDerWaalsContact CE1-CA 3.45Å; L87-G91 WeakPolarHBondContact CD1-O 3.37Å; L88-G91 CarbonylContact C-O 3.56Å; L88-G91 VanDerWaalsContact CA-O 3.3Å; L88-G91 WeakPolarHBondContact CA-O 3.16Å; L88-G91 VanDerWaalsContact CB-O 3.28Å; L88-G91 WeakPolarHBondContact CB-O 3.28Å; L88-G91 PolarHBondContact N-O 3.1Å
92	S	98	Very high	97.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.9	174.1	179.8	0	0	0	0	109.6	S43 C44 W56 T86	S43-S92 CarbonylContact C-O 3.48Å; S43-S92 WeakPolarHBondContact CA-O 3.34Å; C44-S92 PolarHBondContact N-O 2.81Å; C44-S92 PolarHBondContact O-N 3.07Å; W56-S92 PolarHBondContact NE1-OG 2.84Å; T86-S92 CarbonylContact O-C 3.59Å; T86-S92 WeakPolarHBondContact O-CA 3.35Å; T86-S92 WeakPolarHBondContact O-CB 3.3Å; T86-S92 PolarHBondContact O-OG 2.9Å
93	S	98	Very high	97.2	Very high	17 Å²	17	45.2 Å²	45.2	12%	0.119	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.4	169.4	-59.9	0	0	0	0	109.3	M42 A85 T86	M42-S93 CarbonylContact O-C 3.55Å; M42-S93 WeakPolarHBondContact O-CA 3.24Å; A85-S93 CarbonylContact C-O 3.58Å; A85-S93 WeakPolarHBondContact CA-O 3.46Å; T86-S93 PolarHBondContact N-O 2.85Å; T86-S93 PolarHBondContact O-N 2.72Å
94	L	98.3	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.8	165.8	-174.5	67	0	0	0	107.7	M42 W56 L68 L69 L83 N84 A85 Y107	M42-L94 VanDerWaalsContact CE-C 3.42Å; M42-L94 HydrophobicContact CE-CB 3.79Å; M42-L94 HydrophobicContact CE-CD2 4.25Å; M42-L94 HydrophobicContact CE-CG 3.92Å; M42-L94 WeakPolarHBondContact CE-O 3.43Å; M42-L94 HydrophobicContact CG-CB 4.03Å; M42-L94 PolarHBondContact N-O 2.92Å; M42-L94 VanDerWaalsContact N-O 3.15Å; M42-L94 PolarHBondContact O-N 2.92Å; M42-L94 HydrophobicContact SD-CB 4.04Å; M42-L94 HydrophobicContact SD-CD2 3.82Å; M42-L94 HydrophobicContact SD-CG 4.13Å; W56-L94 HydrophobicContact CD2-CB 3.97Å; W56-L94 HydrophobicContact CD2-CD2 3.99Å; W56-L94 HydrophobicContact CD2-CG 4.4Å; W56-L94 HydrophobicContact CE3-CB 4.13Å; W56-L94 HydrophobicContact CE3-CD2 3.75Å; W56-L94 HydrophobicContact CG-CD1 4.46Å; W56-L94 HydrophobicContact CG-CD2 4.43Å; W56-L94 HydrophobicContact CH2-CB 3.91Å; W56-L94 HydrophobicContact CZ2-CB 3.75Å; W56-L94 HydrophobicContact CZ3-CB 4.1Å; W56-L94 HydrophobicContact CZ3-CD2 4.2Å; L68-L94 HydrophobicContact CD1-CD2 4.38Å; L69-L94 HydrophobicContact CD2-CD1 4.15Å; L83-L94 HydrophobicContact CB-CD1 4.48Å; L83-L94 HydrophobicContact CD2-CD1 4.44Å; N84-L94 CarbonylContact O-C 3.52Å; N84-L94 WeakPolarHBondContact O-CA 3.44Å; A85-L94 HydrophobicContact CB-CD1 3.91Å; L94-Y107 HydrophobicContact CD2-CD1 3.67Å; L94-Y107 HydrophobicContact CD2-CE1 4.35Å; L94-Y107 HydrophobicContact CD2-CG 4.4Å
95	Y	98	Very high	97.1	Very high	79 Å²	79	48.3 Å²	48.3	31%	0.31	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.7	175.8	-58	-89.4	0	0	0	108.6	A40 S41 L83 N84	A40-Y95 CarbonylContact O-C 3.28Å; A40-Y95 VanDerWaalsContact O-CA 3.29Å; A40-Y95 WeakPolarHBondContact O-CA 3.41Å; S41-Y95 WeakPolarHBondContact OG-CD1 3.41Å; S41-Y95 WeakPolarHBondContact OG-CE1 3.48Å; L83-Y95 CarbonylContact C-O 3.44Å; L83-Y95 VanDerWaalsContact CA-O 3.29Å; L83-Y95 WeakPolarHBondContact CA-O 3.36Å; N84-Y95 PolarHBondContact N-O 2.94Å; N84-Y95 PolarHBondContact O-N 2.73Å
96	I	98.2	Very high	97.1	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.4	171.7	-40.1	-167.3	0	0	0	107	V39 A40 M42 R82 L83 V99 Y107	V39-I96 WeakPolarHBondContact CA-O 3.31Å; A40-I96 HydrophobicContact CB-CB 4.3Å; A40-I96 HydrophobicContact CB-CG1 4.47Å; A40-I96 PolarHBondContact N-O 3.44Å; A40-I96 PolarHBondContact O-N 2.73Å; M42-I96 HydrophobicContact CE-CG1 4.11Å; R82-I96 WeakPolarHBondContact O-CA 3.1Å; L83-I96 HydrophobicContact CD2-CB 4.19Å; L83-I96 HydrophobicContact CD2-CD1 3.83Å; L83-I96 HydrophobicContact CD2-CG1 3.56Å; L83-I96 HydrophobicContact CD2-CG2 4.09Å; I96-V99 HydrophobicContact CB-CG2 4.21Å; I96-V99 HydrophobicContact CG2-CG2 4.28Å; I96-Y107 HydrophobicContact CD1-CD1 4.47Å; I96-Y107 HydrophobicContact CD1-CE1 3.8Å; I96-Y107 HydrophobicContact CD1-CE2 3.95Å
97	T	97.8	Very high	97.1	Very high	63 Å²	63	53.1 Å²	53.1	39%	0.387	29%	0.291	S	S	.	.	S	Bend	trans	-86.1	149.7	176.7	60.1	0	0	0	0	111	R82 V99	R82-T97 WeakPolarHBondContact CB-O 3.4Å; R82-T97 WeakPolarHBondContact CD-O 3.26Å; R82-T97 PolarHBondContact NH1-O 3.34Å; R82-T97 VanDerWaalsContact NH1-O 3.1Å; R82-T97 PolarHBondContact O-N 2.92Å; R82-T97 PolarHBondContact O-OG1 2.85Å; T97-V99 VanDerWaalsContact C-N 3.33Å; T97-V99 PolarHBondContact O-N 3.42Å
98	A	97.6	Very high	97.1	Very high	42 Å²	42	55.5 Å²	55.5	35%	0.347	30%	0.301	S	S	.	.	S	Bend	trans	46.5	57	178.4	0	0	0	0	0	111.7	D38 R82 Q100	D38-A98 PolarHBondContact O-N 2.94Å; R82-A98 PolarHBondContact NH1-O 2.79Å; R82-A98 VanDerWaalsContact NH1-O 3.1Å; A98-Q100 WeakPolarHBondContact O-CG 3.45Å; A98-Q100 PolarHBondContact O-N 2.84Å; A98-Q100 PolarHBondContact O-NE2 3.41Å
99	V	98.2	Very high	97.2	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.085	28%	0.281	C	S	.	.			trans	-49.6	135.7	-175.6	170.9	0	0	0	0	110.5	P34 Q36 G37 D38 A40 I96 T97 D103	P34-V99 HydrophobicContact CB-CG2 4.44Å; P34-V99 HydrophobicContact CG-CB 4.47Å; P34-V99 HydrophobicContact CG-CG1 3.96Å; P34-V99 HydrophobicContact CG-CG2 4.23Å; Q36-V99 CarbonylContact C-O 3.55Å; Q36-V99 WeakPolarHBondContact CA-O 3.2Å; Q36-V99 WeakPolarHBondContact CG-O 3.47Å; G37-V99 PolarHBondContact N-O 2.85Å; D38-V99 WeakPolarHBondContact O-CG2 3.41Å; D38-V99 PolarHBondContact O-N 2.86Å; A40-V99 HydrophobicContact CB-CG2 3.72Å; I96-V99 HydrophobicContact CB-CG2 4.21Å; I96-V99 HydrophobicContact CG2-CG2 4.28Å; T97-V99 VanDerWaalsContact C-N 3.33Å; T97-V99 PolarHBondContact O-N 3.42Å; V99-D103 HydrophobicContact CG1-CB 4.42Å
100	Q	97.9	Very high	97.3	Very high	56 Å²	56	45.1 Å²	45.1	26%	0.262	26%	0.261	S	S	.	.			trans	-118.4	158.3	177.1	-56.9	-59.5	-36	0	0	110.5	A98 E102 D103	A98-Q100 WeakPolarHBondContact O-CG 3.45Å; A98-Q100 PolarHBondContact O-N 2.84Å; A98-Q100 PolarHBondContact O-NE2 3.41Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.48Å; Q100-E102 PolarHBondContact O-N 3.04Å; Q100-E102 VanDerWaalsContact O-N 3.09Å; Q100-D103 PolarHBondContact N-OD2 2.85Å; Q100-D103 WeakPolarHBondContact O-CB 3.44Å; Q100-D103 PolarHBondContact O-N 2.89Å
101	P	96.5	Very high	97.4	Very high	72 Å²	72	41.7 Å²	41.7	47%	0.468	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-51.9	-33.5	176.5	-28.2	36.8	0	0	0	113.8	D103 S104	P101-D103 PolarHBondContact O-N 3.17Å; P101-S104 WeakPolarHBondContact O-CB 3.43Å; P101-S104 PolarHBondContact O-N 3.28Å; P101-S104 PolarHBondContact O-OG 2.82Å
102	E	96	Very high	97.1	Very high	129 Å²	129	47.2 Å²	47.2	60%	0.603	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-71.1	-9.2	179.4	-54.5	73.4	-154.3	0	0	113.8	R58 Q100 S104	R58-E102 PolarHBondContact NH1-O 2.94Å; R58-E102 PolarHBondContact NH2-O 2.76Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.48Å; Q100-E102 PolarHBondContact O-N 3.04Å; Q100-E102 VanDerWaalsContact O-N 3.09Å; E102-S104 VanDerWaalsContact C-N 3.27Å
103	D	96.9	Very high	97.1	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.102	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-81.2	-7.3	173.2	-61.9	-40.2	0	0	0	112.9	R82 V99 Q100 P101 A105 Y107	R82-D103 IonicContact CZ-OD1 3.66Å; R82-D103 IonicContact CZ-OD2 3.21Å; R82-D103 IonicContact NH1-OD1 3.73Å; R82-D103 IonicContact NH1-OD2 2.66Å; R82-D103 PolarHBondContact NH1-OD2 2.91Å; R82-D103 IonicContact NH2-OD1 2.75Å; R82-D103 PolarHBondContact NH2-OD1 3.3Å; R82-D103 IonicContact NH2-OD2 2.9Å; R82-D103 PolarHBondContact NH2-OD2 3.28Å; V99-D103 HydrophobicContact CG1-CB 4.42Å; Q100-D103 PolarHBondContact N-OD2 2.85Å; Q100-D103 WeakPolarHBondContact O-CB 3.44Å; Q100-D103 PolarHBondContact O-N 2.89Å; P101-D103 PolarHBondContact O-N 3.17Å; D103-A105 PolarHBondContact O-N 3.07Å; D103-Y107 WeakPolarHBondContact O-CE2 3.34Å; D103-Y107 PolarHBondContact O-OH 2.78Å
104	S	96.4	Very high	97	Very high	96 Å²	96	51.3 Å²	51.3	67%	0.671	29%	0.294	S	S	*	.			trans	-60.2	104.1	177.8	-57	0	0	0	0	110.8	P101 E102	P101-S104 WeakPolarHBondContact O-CB 3.43Å; P101-S104 PolarHBondContact O-N 3.28Å; P101-S104 PolarHBondContact O-OG 2.82Å; E102-S104 VanDerWaalsContact C-N 3.27Å
105	A	97.3	Very high	96.9	Very high	30 Å²	30	54.1 Å²	54.1	25%	0.248	31%	0.311	C	S	.	.	S	Bend	trans	-166.4	168.1	-178	0	0	0	0	0	110.6	R58 Q59 D103 Y107	R58-A105 HydrophobicContact CG-CB 3.63Å; Q59-A105 WeakPolarHBondContact O-CB 3.45Å; D103-A105 PolarHBondContact O-N 3.07Å; A105-Y107 HydrophobicContact CB-CD2 4.45Å; A105-Y107 HydrophobicContact CB-CE2 3.88Å; A105-Y107 WeakPolarHBondContact O-CD2 3.29Å
106	T	97.5	Very high	96.9	Very high	84 Å²	84	52.6 Å²	52.6	52%	0.515	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.4	167.5	-55.7	0	0	0	0	109.4	R58 Q59 F108	R58-T106 CarbonylContact C-O 3.57Å; R58-T106 WeakPolarHBondContact CA-O 3.2Å; Q59-T106 PolarHBondContact N-O 3.15Å; Q59-T106 PolarHBondContact O-N 3.49Å; T106-F108 HydrophobicContact CG2-CD1 4.33Å
107	Y	97.9	Very high	96.8	Very high	36 Å²	36	55.6 Å²	55.6	14%	0.141	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133	174.7	-68.6	-101.1	0	0	0	109.4	M42 Y57 R58 L68 L94 I96 D103 A105	M42-Y107 HydrophobicContact SD-CG 4.28Å; Y57-Y107 WeakPolarHBondContact O-CA 3.47Å; R58-Y107 HydrophobicContact CB-CD1 4.34Å; R58-Y107 HydrophobicContact CB-CE1 4.09Å; R58-Y107 HydrophobicContact CG-CE1 4.23Å; L68-Y107 HydrophobicContact CD1-CD1 3.71Å; L68-Y107 HydrophobicContact CD1-CE1 3.76Å; L94-Y107 HydrophobicContact CD2-CD1 3.67Å; L94-Y107 HydrophobicContact CD2-CE1 4.35Å; L94-Y107 HydrophobicContact CD2-CG 4.4Å; I96-Y107 HydrophobicContact CD1-CD1 4.47Å; I96-Y107 HydrophobicContact CD1-CE1 3.8Å; I96-Y107 HydrophobicContact CD1-CE2 3.95Å; D103-Y107 WeakPolarHBondContact O-CE2 3.34Å; D103-Y107 PolarHBondContact O-OH 2.78Å; A105-Y107 HydrophobicContact CB-CD2 4.45Å; A105-Y107 HydrophobicContact CB-CE2 3.88Å; A105-Y107 WeakPolarHBondContact O-CD2 3.29Å
108	F	97.6	Very high	96.7	Very high	51 Å²	51	55.1 Å²	55.1	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.7	178.1	62.9	-88.5	0	0	0	110.9	Y57 Q59 P65 T106	Y57-F108 HydrophobicContact CD2-CD2 4.37Å; Y57-F108 AromaticContact CD2-CE2 3.98Å; Y57-F108 HydrophobicContact CD2-CE2 3.98Å; Y57-F108 HydrophobicContact CG-CE2 4Å; Y57-F108 HydrophobicContact CG-CZ 4.18Å; Y57-F108 PolarHBondContact N-O 2.89Å; Y57-F108 PolarHBondContact O-N 2.82Å; Q59-F108 HydrophobicContact CB-CE1 4.09Å; P65-F108 HydrophobicContact CB-CE1 4.38Å; P65-F108 HydrophobicContact CB-CZ 3.76Å; P65-F108 HydrophobicContact CG-CE1 4.44Å; P65-F108 HydrophobicContact CG-CZ 3.82Å; T106-F108 HydrophobicContact CG2-CD1 4.33Å
109	C	97.6	Very high	96.7	Very high	6 Å²	6	56 Å²	56	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	156.7	174.2	67.4	0	0	0	0	111.1	V25 H27 C44 L54 Q55 W56	V25-C109 WeakPolarHBondContact CG1-SG 3.5Å; H27-C109 PolarHBondContact NE2-N 2.94Å; H27-C109 PolarHBondContact NE2-SG 2.93Å; C44-C109 HydrophobicContact CB-CB 3.6Å; C44-C109 WeakPolarHBondContact CB-SG 3.35Å; C44-C109 WeakPolarHBondContact SG-CB 2.9Å; C44-C109 CovalentContact SG-SG 2Å; C44-C109 PolarHBondContact SG-SG 2.98Å; L54-C109 HydrophobicContact CD1-CB 4.28Å; L54-C109 HydrophobicContact CD2-CB 4.1Å; L54-C109 HydrophobicContact CG-CB 4.21Å; Q55-C109 CarbonylContact O-C 3.57Å; Q55-C109 WeakPolarHBondContact O-CA 3.44Å; W56-C109 HydrophobicContact CD2-CB 4.21Å; W56-C109 HydrophobicContact CE3-CB 4.19Å; W56-C109 HydrophobicContact CH2-CB 4.38Å; W56-C109 HydrophobicContact CZ2-CB 4.37Å; W56-C109 HydrophobicContact CZ3-CB 4.28Å
110	A	97	Very high	96.6	Very high	39 Å²	39	59.2 Å²	59.2	32%	0.322	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.7	163.4	0	0	0	0	0	109.4	L54 Q55 Y57	L54-A110 WeakPolarHBondContact CA-O 3.23Å; Q55-A110 PolarHBondContact N-O 2.71Å; Q55-A110 PolarHBondContact O-N 3.42Å; Y57-A110 HydrophobicContact CE2-CB 3.98Å
111	V	96.1	Very high	96.4	Very high	33 Å²	33	59.5 Å²	59.5	20%	0.2	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.4	177.4	-173.3	0	0	0	0	108.2	V25 Y46 V48 F51 L54	V25-V111 HydrophobicContact CG2-CG2 4.16Å; Y46-V111 HydrophobicContact CD1-CG2 3.66Å; Y46-V111 HydrophobicContact CD2-CG2 4.31Å; Y46-V111 HydrophobicContact CE1-CG2 4.31Å; Y46-V111 HydrophobicContact CG-CG2 3.67Å; V48-V111 HydrophobicContact CB-CG1 4.43Å; V48-V111 HydrophobicContact CG1-CB 4.11Å; V48-V111 HydrophobicContact CG1-CG1 3.92Å; V48-V111 HydrophobicContact CG2-CG1 3.79Å; F51-V111 HydrophobicContact CD2-CG1 3.68Å; F51-V111 HydrophobicContact CE2-CG1 4.07Å; L54-V111 HydrophobicContact CD1-CG2 4.23Å
112	D	90.4	Very high	96.4	Very high	119 Å²	119	58.4 Å²	58.4	64%	0.636	34%	0.337	S	S	*	.			trans	-101.3	0	174.4	-177.4	53.4	0	0	0	110.5	N52 N53	N52-D112 WeakPolarHBondContact CA-O 3.35Å; N52-D112 HydrophobicContact CB-CB 4.48Å; N52-D112 VanDerWaalsContact CB-O 3.26Å; N52-D112 WeakPolarHBondContact CB-O 3.13Å; N52-D112 PolarHBondContact N-O 3.17Å; N52-D112 PolarHBondContact ND2-OD2 3Å; N53-D112 PolarHBondContact N-O 3.09Å; N53-D112 PolarHBondContact ND2-OD2 3.49Å; N53-D112 VanDerWaalsContact ND2-OD2 3.17Å; N53-D112 PolarHBondContact O-N 2.8Å

Retrieved 112 of 112 residues in 68.7 ms (Link to these results)

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