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T cell receptor alpha variable 6

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 A0A075B6T7, Species HUMAN (Homo sapiens, Human), Gene TRAV6, Length 132 aa.

						>TVA6_HUMAN|A0A075B6T7|TRAV6
MAFWLRSLGLHFRPHLGRRMESFLGGVLLILWLQVDWVKSQKIEQNSEALNIQEGKTATLTCNYTNYSPAYLQWYRQDPGRGPVFLLLIRENEKEKRKERLKVTFDTTLKQSLFHITASQPADSATYLCALD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	46.5	Very low	232 Å²	232	167 Å²	167	100%	1.143	86%	0.855	S	S	*	*				0	108.1	0	-68.4	169.7	-177	0	0	107.2
2	A	37.1	Very low	47.3	Very low	89 Å²	89	167.5 Å²	167.5	74%	0.736	85%	0.847	S	S	*	*			trans	-88.1	115.8	-179.6	0	0	0	0	0	109.1
3	F	44.8	Very low	47.7	Very low	189 Å²	189	172.2 Å²	172.2	83%	0.829	85%	0.848	S	S	*	*			trans	-100.1	106.5	169.7	-93.5	-90	0	0	0	108.9
4	W	47.9	Very low	48.3	Very low	242 Å²	242	168.9 Å²	168.9	92%	0.917	85%	0.847	S	S	*	*			trans	-81.4	111.9	165.1	-70.7	93.3	0	0	0	108.4	R6	W4-R6 PolarHBondContact O-N 3.28Å
5	L	52.1	Low	48.6	Very low	168 Å²	168	169.7 Å²	169.7	88%	0.88	85%	0.846	S	S	*	*			trans	-88.4	99.8	166.1	-80.3	165.8	0	0	0	108.8	S7	L5-S7 PolarHBondContact O-N 3.47Å
6	R	49.8	Very low	49.1	Very low	246 Å²	246	169.9 Å²	169.9	93%	0.928	85%	0.85	S	S	*	*			trans	-71.4	108.7	162.1	-105.7	179.7	173.7	-119.2	1.1	107.8	W4 L8	W4-R6 PolarHBondContact O-N 3.28Å; R6-L8 PolarHBondContact O-N 3.44Å
7	S	48.1	Very low	49.2	Very low	115 Å²	115	163.8 Å²	163.8	80%	0.804	84%	0.84	S	S	*	*			trans	-70.6	113.6	169.9	-173.1	0	0	0	0	109.5	L5 G9	L5-S7 PolarHBondContact O-N 3.47Å; S7-G9 PolarHBondContact O-N 3.33Å
8	L	52.3	Low	49.5	Very low	164 Å²	164	168.4 Å²	168.4	86%	0.859	85%	0.845	S	S	*	*			trans	-80.9	103.5	161.5	-87.1	157.4	0	0	0	106.9	R6 L10	R6-L8 PolarHBondContact O-N 3.44Å; L8-L10 PolarHBondContact O-N 3.1Å; L8-L10 VanDerWaalsContact O-N 3.1Å
9	G	47.6	Very low	49.8	Very low	73 Å²	73	170.9 Å²	170.9	75%	0.753	84%	0.843	S	S	*	*			trans	-65	106	173.6	0	0	0	0	0	110.7	S7	S7-G9 PolarHBondContact O-N 3.33Å
10	L	51.1	Low	50	Low	142 Å²	142	169.6 Å²	169.6	74%	0.743	84%	0.836	S	S	*	*			trans	-95.6	105.5	161.9	-75.9	169.7	0	0	0	108.1	L8 F12	L8-L10 PolarHBondContact O-N 3.1Å; L8-L10 VanDerWaalsContact O-N 3.1Å; L10-F12 HydrophobicContact CB-CD2 4Å; L10-F12 HydrophobicContact CB-CE2 3.99Å; L10-F12 HydrophobicContact CD1-CE2 4.34Å; L10-F12 PolarHBondContact O-N 3.13Å; L10-F12 VanDerWaalsContact O-N 3.13Å
11	H	42	Very low	50.2	Low	177 Å²	177	169.4 Å²	169.4	82%	0.819	83%	0.834	S	S	*	*			trans	-79.7	86.1	177.6	-167.9	-63.7	0	0	0	109.9
12	F	56.5	Low	51.2	Low	173 Å²	173	162.4 Å²	162.4	76%	0.759	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.4	119.7	169.7	-82.8	-87.4	0	0	0	110.3	L10 P14	L10-F12 HydrophobicContact CB-CD2 4Å; L10-F12 HydrophobicContact CB-CE2 3.99Å; L10-F12 HydrophobicContact CD1-CE2 4.34Å; L10-F12 PolarHBondContact O-N 3.13Å; L10-F12 VanDerWaalsContact O-N 3.13Å; F12-P14 WeakPolarHBondContact O-CD 3.49Å
13	R	52.6	Low	52.4	Low	228 Å²	228	165.2 Å²	165.2	86%	0.86	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69.8	123.5	168.6	-83.8	-172.7	-179.3	-162.9	0.9	109
14	P	55.7	Low	53.5	Low	127 Å²	127	162.3 Å²	162.3	83%	0.825	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-88	120.6	172.9	32.5	-26.5	0	0	0	109.3	F12	F12-P14 WeakPolarHBondContact O-CD 3.49Å
15	H	52.9	Low	54.8	Low	181 Å²	181	152.4 Å²	152.4	84%	0.838	77%	0.769	S	S	*	*			trans	-111.2	127.2	158.4	-145.5	-79.7	0	0	0	105.7
16	L	56.1	Low	55.9	Low	172 Å²	172	145.8 Å²	145.8	90%	0.901	74%	0.741	S	S	*	*	S	Bend	trans	84.6	116.4	175.2	-129.5	70.1	0	0	0	117.1
17	G	50.5	Low	57.2	Low	66 Å²	66	138.2 Å²	138.2	68%	0.68	72%	0.722	S	S	*	*			trans	117.5	73.9	155.5	0	0	0	0	0	117.3	R19	G17-R19 PolarHBondContact O-N 3.35Å
18	R	54.9	Low	58.7	Low	248 Å²	248	137.4 Å²	137.4	94%	0.936	71%	0.708	S	S	*	*	S	Bend	trans	-68.2	49.3	169.2	-168.2	-178.6	-77.4	-172	-5.2	112.8
19	R	56	Low	59.9	Low	216 Å²	216	135.1 Å²	135.1	82%	0.815	70%	0.696	S	S	*	*			trans	-154	44.1	-178.6	-161.9	179.7	-81.5	-145.7	-3.2	112.4	G17	G17-R19 PolarHBondContact O-N 3.35Å
20	M	53.3	Low	61.2	Low	143 Å²	143	136.5 Å²	136.5	70%	0.704	69%	0.686	S	S	*	*	S	Bend	trans	-145.6	29.7	170.5	-159.6	153.3	68.6	0	0	112.8
21	E	54.8	Low	62.4	Low	166 Å²	166	134.6 Å²	134.6	78%	0.776	68%	0.675	S	S	*	*	S	Bend	trans	-102.8	-27.3	172.8	-67.2	-176.9	132.3	0	0	111.7	F23	E21-F23 PolarHBondContact O-N 3.24Å
22	S	58.9	Low	64	Low	86 Å²	86	134.3 Å²	134.3	60%	0.601	67%	0.667	S	S	*	*	H	α-helix	trans	-69.9	-31.4	-178.9	54.3	0	0	0	0	114	G26	S22-G26 PolarHBondContact O-N 3.08Å
23	F	62.8	Low	64.7	Low	148 Å²	148	132 Å²	132	65%	0.649	66%	0.662	S	S	*	*	H	α-helix	trans	-75.7	-38.9	-177.9	-71	-79.7	0	0	0	112.6	E21 G26 V27	E21-F23 PolarHBondContact O-N 3.24Å; F23-G26 PolarHBondContact O-N 2.99Å; F23-V27 WeakPolarHBondContact O-CG2 3.32Å; F23-V27 PolarHBondContact O-N 3.04Å; F23-V27 VanDerWaalsContact O-N 3.09Å
24	L	67.5	Low	65.4	Low	128 Å²	128	127.8 Å²	127.8	67%	0.67	65%	0.652	S	S	*	*	H	α-helix	trans	-66.2	-41.8	178.9	-74.4	162.2	0	0	0	111.7	G26 V27 L28	L24-G26 PolarHBondContact O-N 3.08Å; L24-V27 PolarHBondContact O-N 3.07Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.84Å
25	G	74.9	Confident	65.9	Low	33 Å²	33	126.8 Å²	126.8	34%	0.34	64%	0.643	S	S	.	*	H	α-helix	trans	-62.2	-40.8	176.2	0	0	0	0	0	112.9	L28 L29	G25-L28 PolarHBondContact O-N 3.39Å; G25-L29 WeakPolarHBondContact O-CG 3.35Å; G25-L29 PolarHBondContact O-N 2.86Å
26	G	76	Confident	66.5	Low	30 Å²	30	124.8 Å²	124.8	31%	0.309	64%	0.639	S	S	.	*	H	α-helix	trans	-64.1	-46.5	176	0	0	0	0	0	113	S22 F23 L24 L28 L29 I30	S22-G26 PolarHBondContact O-N 3.08Å; F23-G26 PolarHBondContact O-N 2.99Å; L24-G26 PolarHBondContact O-N 3.08Å; G26-L28 VanDerWaalsContact C-N 3.32Å; G26-L28 PolarHBondContact O-N 3.18Å; G26-L29 PolarHBondContact O-N 2.78Å; G26-I30 VanDerWaalsContact O-CG1 3.29Å; G26-I30 WeakPolarHBondContact O-CG1 3.39Å; G26-I30 PolarHBondContact O-N 2.79Å
27	V	77.6	Confident	67	Low	87 Å²	87	126.7 Å²	126.7	53%	0.527	64%	0.635	S	S	.	*	H	α-helix	trans	-62.8	-41.5	177.4	173.6	0	0	0	0	111.1	F23 L24 I30 L31	F23-V27 WeakPolarHBondContact O-CG2 3.32Å; F23-V27 PolarHBondContact O-N 3.04Å; F23-V27 VanDerWaalsContact O-N 3.09Å; L24-V27 PolarHBondContact O-N 3.07Å; V27-I30 PolarHBondContact O-N 3.26Å; V27-L31 HydrophobicContact CG1-CD1 3.99Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 2.92Å
28	L	79.6	Confident	67.8	Low	98 Å²	98	129.1 Å²	129.1	51%	0.513	64%	0.636	S	S	.	*	H	α-helix	trans	-60.7	-49.8	177.2	-171.7	63	0	0	0	110.5	L24 G25 G26 I30 L31 W32	L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.84Å; G25-L28 PolarHBondContact O-N 3.39Å; G26-L28 VanDerWaalsContact C-N 3.32Å; G26-L28 PolarHBondContact O-N 3.18Å; L28-I30 VanDerWaalsContact C-N 3.33Å; L28-I30 PolarHBondContact O-N 2.95Å; L28-L31 WeakPolarHBondContact O-CB 3.33Å; L28-L31 PolarHBondContact O-N 3.11Å; L28-L31 VanDerWaalsContact O-N 3.1Å; L28-W32 VanDerWaalsContact CG-NE1 3.33Å; L28-W32 PolarHBondContact O-N 3Å
29	L	76.2	Confident	68.5	Low	115 Å²	115	126.1 Å²	126.1	60%	0.602	63%	0.63	S	S	*	*	H	α-helix	trans	-57.3	-41.8	176.4	-77.5	164.9	0	0	0	113.1	G25 G26 L31 W32 L33	G25-L29 WeakPolarHBondContact O-CG 3.35Å; G25-L29 PolarHBondContact O-N 2.86Å; G26-L29 PolarHBondContact O-N 2.78Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L29-W32 PolarHBondContact O-N 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 3.01Å
30	I	74.9	Confident	69.4	Low	103 Å²	103	120 Å²	120	53%	0.528	62%	0.62	S	S	.	*	H	α-helix	trans	-62.1	-44.5	175.6	-66.7	163.7	0	0	0	110.3	G26 V27 L28 W32 L33 Q34	G26-I30 VanDerWaalsContact O-CG1 3.29Å; G26-I30 WeakPolarHBondContact O-CG1 3.39Å; G26-I30 PolarHBondContact O-N 2.79Å; V27-I30 PolarHBondContact O-N 3.26Å; L28-I30 VanDerWaalsContact C-N 3.33Å; L28-I30 PolarHBondContact O-N 2.95Å; I30-W32 PolarHBondContact O-N 3.48Å; I30-L33 PolarHBondContact O-N 3.3Å; I30-Q34 HydrophobicContact CG2-CG 4.21Å; I30-Q34 WeakPolarHBondContact O-CG 3.31Å; I30-Q34 PolarHBondContact O-N 2.7Å
31	L	76.4	Confident	70.6	Confident	101 Å²	101	115 Å²	115	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-61.3	-42.3	176.3	-71.9	164.1	0	0	0	111.8	V27 L28 L29 Q34 V35	V27-L31 HydrophobicContact CG1-CD1 3.99Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 2.92Å; L28-L31 WeakPolarHBondContact O-CB 3.33Å; L28-L31 PolarHBondContact O-N 3.11Å; L28-L31 VanDerWaalsContact O-N 3.1Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L31-Q34 PolarHBondContact O-N 3.27Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.48Å; L31-V35 PolarHBondContact O-N 2.96Å; L31-V35 VanDerWaalsContact O-N 3.13Å
32	W	75.5	Confident	71.9	Confident	171 Å²	171	112.6 Å²	112.6	65%	0.648	58%	0.581	S	S	*	*	H	α-helix	trans	-59.3	-48	174.6	-71.3	101.3	0	0	0	111.8	L28 L29 I30 Q34 V35	L28-W32 VanDerWaalsContact CG-NE1 3.33Å; L28-W32 PolarHBondContact O-N 3Å; L29-W32 PolarHBondContact O-N 3.27Å; I30-W32 PolarHBondContact O-N 3.48Å; W32-Q34 VanDerWaalsContact C-N 3.26Å; W32-Q34 PolarHBondContact O-N 2.93Å; W32-V35 PolarHBondContact O-N 2.83Å
33	L	70.9	Confident	73.1	Confident	126 Å²	126	111.7 Å²	111.7	66%	0.66	57%	0.569	S	S	*	*	H	α-helix	trans	-62.7	-32.3	178.9	-70	171	0	0	0	112.9	L29 I30	L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 3.01Å; I30-L33 PolarHBondContact O-N 3.3Å
34	Q	67.6	Low	74.1	Confident	139 Å²	139	108.7 Å²	108.7	65%	0.65	56%	0.557	S	S	*	*	H	α-helix	trans	-74.2	-31.3	178.6	-62.9	-107.2	-60.9	0	0	112.2	I30 L31 W32 D36 W37	I30-Q34 HydrophobicContact CG2-CG 4.21Å; I30-Q34 WeakPolarHBondContact O-CG 3.31Å; I30-Q34 PolarHBondContact O-N 2.7Å; L31-Q34 PolarHBondContact O-N 3.27Å; W32-Q34 VanDerWaalsContact C-N 3.26Å; W32-Q34 PolarHBondContact O-N 2.93Å; Q34-D36 VanDerWaalsContact C-N 3.31Å; Q34-D36 PolarHBondContact O-N 2.87Å; Q34-W37 PolarHBondContact O-N 2.83Å
35	V	66.3	Low	74.9	Confident	105 Å²	105	105.4 Å²	105.4	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-67.9	-32.5	-178.8	172.3	0	0	0	0	111.5	L31 W32 W37	L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.48Å; L31-V35 PolarHBondContact O-N 2.96Å; L31-V35 VanDerWaalsContact O-N 3.13Å; W32-V35 PolarHBondContact O-N 2.83Å; V35-W37 VanDerWaalsContact C-N 3.29Å; V35-W37 PolarHBondContact O-N 2.65Å
36	D	65.2	Low	75	Confident	139 Å²	139	108.4 Å²	108.4	74%	0.743	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.9	-177.2	-67.9	-31.8	0	0	0	114.2	Q34	Q34-D36 VanDerWaalsContact C-N 3.31Å; Q34-D36 PolarHBondContact O-N 2.87Å
37	W	67.1	Low	74.4	Confident	213 Å²	213	112.9 Å²	112.9	81%	0.807	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-7.2	-175.7	-167.2	-97.5	0	0	0	114.6	Q34 V35 K39	Q34-W37 PolarHBondContact O-N 2.83Å; V35-W37 VanDerWaalsContact C-N 3.29Å; V35-W37 PolarHBondContact O-N 2.65Å; W37-K39 PolarHBondContact O-N 3.26Å
38	V	68.6	Low	74.1	Confident	116 Å²	116	116.9 Å²	116.9	70%	0.703	59%	0.586	S	S	*	*			trans	-77.4	96	-176	-175.1	0	0	0	0	110.5	S40	V38-S40 PolarHBondContact O-N 2.8Å; V38-S40 VanDerWaalsContact O-N 3.11Å
39	K	69.4	Low	74.1	Confident	186 Å²	186	116.9 Å²	116.9	81%	0.809	60%	0.6	S	S	*	*			trans	-68.1	105.7	167.2	-66.7	-174.2	-178.2	-179.8	0	109	W37	W37-K39 PolarHBondContact O-N 3.26Å
40	S	75.1	Confident	74.6	Confident	87 Å²	87	116.1 Å²	116.1	61%	0.608	60%	0.597	S	S	*	*			trans	-71.6	158.6	172.7	-174.9	0	0	0	0	110.7	V38 N66	V38-S40 PolarHBondContact O-N 2.8Å; V38-S40 VanDerWaalsContact O-N 3.11Å; S40-N66 PolarHBondContact O-ND2 3.13Å
41	Q	76.9	Confident	75.3	Confident	37 Å²	37	118.8 Å²	118.8	17%	0.173	61%	0.612	C	S	.	*			trans	-115.5	132.7	166.3	-167.3	175.5	24	0	0	108.6	Y67 L131	Q41-Y67 HydrophobicContact CB-CD1 4.36Å; Q41-Y67 HydrophobicContact CB-CE1 3.72Å; Q41-Y67 VanDerWaalsContact CD-CZ 3.41Å; Q41-Y67 HydrophobicContact CG-CD1 4.23Å; Q41-Y67 HydrophobicContact CG-CE1 3.85Å; Q41-Y67 PolarHBondContact OE1-OH 2.81Å; Q41-L131 VanDerWaalsContact CD-CD1 3.43Å; Q41-L131 HydrophobicContact CG-CD1 4.29Å
42	K	82.7	Confident	76	Confident	116 Å²	116	116.8 Å²	116.8	50%	0.504	60%	0.601	S	S	.	*			trans	-95.4	125.4	172.3	-162.9	-175.3	-175.5	-165	0	108.9	E44 Y64 T65	K42-E44 HydrophobicContact CD-CG 4.32Å; K42-E44 WeakPolarHBondContact CE-OE1 3.45Å; K42-E44 HydrophobicContact CG-CG 4.38Å; K42-E44 IonicContact NZ-OE1 3.48Å; K42-E44 PolarHBondContact NZ-OE1 3.3Å; K42-Y64 WeakPolarHBondContact O-CA 3.33Å; K42-T65 HydrophobicContact CB-CG2 4.41Å; K42-T65 PolarHBondContact O-N 2.96Å
43	I	84.4	Confident	76.8	Confident	68 Å²	68	114.6 Å²	114.6	35%	0.349	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	127.7	171.3	-58	-179.9	0	0	0	107.2	Q45 N63 C129 L131	I43-Q45 HydrophobicContact CG2-CG 4.18Å; I43-N63 WeakPolarHBondContact CA-O 3.24Å; I43-C129 WeakPolarHBondContact CG2-SG 3.15Å; I43-L131 HydrophobicContact CD1-CB 4.38Å; I43-L131 HydrophobicContact CD1-CD1 3.79Å; I43-L131 HydrophobicContact CD1-CG 3.75Å; I43-L131 HydrophobicContact CG1-CD1 3.63Å; I43-L131 HydrophobicContact CG1-CG 4.17Å
44	E	83.2	Confident	78	Confident	85 Å²	85	114.9 Å²	114.9	40%	0.397	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.6	109.8	174.8	-66.4	-175.7	171.4	0	0	108.6	K42 N63	K42-E44 HydrophobicContact CD-CG 4.32Å; K42-E44 WeakPolarHBondContact CE-OE1 3.45Å; K42-E44 HydrophobicContact CG-CG 4.38Å; K42-E44 IonicContact NZ-OE1 3.48Å; K42-E44 PolarHBondContact NZ-OE1 3.3Å; E44-N63 HydrophobicContact CB-CB 4.33Å; E44-N63 PolarHBondContact N-O 2.72Å; E44-N63 PolarHBondContact O-N 2.97Å
45	Q	84.7	Confident	79.4	Confident	58 Å²	58	110.7 Å²	110.7	27%	0.271	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	155.6	171.6	-65.6	-171.8	-98.7	0	0	109.7	I43 S47 T61 C62 Y127 C129	I43-Q45 HydrophobicContact CG2-CG 4.18Å; Q45-S47 PolarHBondContact O-N 2.92Å; Q45-T61 WeakPolarHBondContact CA-O 3.42Å; Q45-C62 HydrophobicContact CG-CB 4.29Å; Q45-Y127 PolarHBondContact NE2-O 3.49Å; Q45-C129 WeakPolarHBondContact CG-SG 3.28Å
46	N	75.8	Confident	80.8	Confident	96 Å²	96	111.2 Å²	111.2	51%	0.513	58%	0.583	S	S	.	*			trans	-59.4	103.9	167.9	-71.6	16	0	0	0	108.2	E48 T61	N46-E48 PolarHBondContact O-N 3.21Å; N46-T61 PolarHBondContact N-O 2.79Å; N46-T61 WeakPolarHBondContact OD1-CB 3.27Å
47	S	64.8	Low	82.2	Confident	124 Å²	124	108.1 Å²	108.1	87%	0.867	57%	0.57	S	S	*	*			trans	-78.4	-6.6	-177.7	-175.3	0	0	0	0	112.5	Q45	Q45-S47 PolarHBondContact O-N 2.92Å
48	E	70.3	Confident	83.6	Confident	171 Å²	171	98.5 Å²	98.5	80%	0.799	54%	0.535	S	S	*	.	S	Bend	trans	-80.1	131.4	-178.3	-165.2	169.5	-168.6	0	0	110.4	N46 L50	N46-E48 PolarHBondContact O-N 3.21Å; E48-L50 PolarHBondContact O-N 2.73Å; E48-L50 VanDerWaalsContact O-N 3.08Å
49	A	80.7	Confident	84.8	Confident	98 Å²	98	95.5 Å²	95.5	81%	0.81	52%	0.518	S	S	*	.			trans	-60.3	114.4	172.6	0	0	0	0	0	109
50	L	85.9	Confident	86.1	Confident	100 Å²	100	88.2 Å²	88.2	52%	0.524	49%	0.487	S	S	.	.			trans	-86.8	117	-178.4	-170.4	73.4	0	0	0	109.6	E48 I52 A58	E48-L50 PolarHBondContact O-N 2.73Å; E48-L50 VanDerWaalsContact O-N 3.08Å; L50-I52 HydrophobicContact CD1-CD1 3.94Å; L50-I52 HydrophobicContact CD1-CG1 4.5Å; L50-I52 HydrophobicContact CD2-CD1 3.66Å; L50-I52 HydrophobicContact CD2-CG1 3.52Å; L50-I52 HydrophobicContact CG-CD1 3.58Å; L50-I52 HydrophobicContact CG-CG1 3.6Å; L50-A58 HydrophobicContact CD2-CB 4.28Å
51	N	90.1	Very high	87	Confident	159 Å²	159	84.9 Å²	84.9	85%	0.85	46%	0.464	S	S	*	.			trans	-96.7	111.5	172.2	-169.4	9.5	0	0	0	110.1
52	I	90	Very high	87.9	Confident	58 Å²	58	83.1 Å²	83.1	30%	0.297	46%	0.455	S	S	.	.			trans	-117.2	134.5	-176.2	-59.8	-60.1	0	0	0	110	L50 K56 A58	L50-I52 HydrophobicContact CD1-CD1 3.94Å; L50-I52 HydrophobicContact CD1-CG1 4.5Å; L50-I52 HydrophobicContact CD2-CD1 3.66Å; L50-I52 HydrophobicContact CD2-CG1 3.52Å; L50-I52 HydrophobicContact CG-CD1 3.58Å; L50-I52 HydrophobicContact CG-CG1 3.6Å; I52-K56 HydrophobicContact CG2-CB 3.85Å; I52-A58 HydrophobicContact CG1-CB 3.97Å; I52-A58 HydrophobicContact CG2-CB 4.45Å
53	Q	93.8	Very high	88.4	Confident	126 Å²	126	80 Å²	80	59%	0.589	44%	0.444	S	S	*	.			trans	-68.6	139.4	172.1	-173.1	179.6	1.4	0	0	110.6	K56	Q53-K56 HydrophobicContact CB-CD 3.94Å; Q53-K56 HydrophobicContact CB-CG 4.19Å; Q53-K56 VanDerWaalsContact O-CB 3.31Å; Q53-K56 WeakPolarHBondContact O-CB 3.37Å; Q53-K56 PolarHBondContact O-N 2.77Å; Q53-K56 VanDerWaalsContact O-N 3.07Å
54	E	95.5	Very high	88.8	Confident	132 Å²	132	77 Å²	77	62%	0.617	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	141.1	173.9	-173.6	173.2	-169.3	0	0	111.9	K56 S119	E54-K56 PolarHBondContact O-N 2.87Å; E54-S119 CarbonylContact C-O 3.57Å; E54-S119 WeakPolarHBondContact CA-O 3.44Å; E54-S119 WeakPolarHBondContact CG-O 3.14Å
55	G	96	Very high	89	Confident	50 Å²	50	75.7 Å²	75.7	52%	0.515	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-16.3	-176.8	0	0	0	0	0	114.8	A118 S119	G55-A118 WeakPolarHBondContact O-CA 3.38Å; G55-S119 PolarHBondContact N-O 3.06Å
56	K	96.3	Very high	88.7	Confident	116 Å²	116	77.3 Å²	77.3	50%	0.504	44%	0.436	S	S	.	.	S	Bend	trans	-79.8	165.6	174.3	-63.5	-168.3	177.6	165.2	0	112	I52 Q53 E54 S119	I52-K56 HydrophobicContact CG2-CB 3.85Å; Q53-K56 HydrophobicContact CB-CD 3.94Å; Q53-K56 HydrophobicContact CB-CG 4.19Å; Q53-K56 VanDerWaalsContact O-CB 3.31Å; Q53-K56 WeakPolarHBondContact O-CB 3.37Å; Q53-K56 PolarHBondContact O-N 2.77Å; Q53-K56 VanDerWaalsContact O-N 3.07Å; E54-K56 PolarHBondContact O-N 2.87Å; K56-S119 VanDerWaalsContact O-CB 3.27Å; K56-S119 WeakPolarHBondContact O-CB 3.46Å; K56-S119 PolarHBondContact O-N 2.87Å; K56-S119 PolarHBondContact O-OG 2.89Å
57	T	95.7	Very high	89	Confident	74 Å²	74	77.4 Å²	77.4	45%	0.454	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-86.2	117	175.6	-57.8	0	0	0	0	110.2	H115 I116 T117	T57-H115 HydrophobicContact CG2-CB 4.08Å; T57-I116 VanDerWaalsContact CA-O 3.28Å; T57-I116 WeakPolarHBondContact CA-O 3.29Å; T57-T117 HydrophobicContact CG2-CG2 4.44Å
58	A	94.7	Very high	90	Very high	11 Å²	11	74.6 Å²	74.6	9%	0.091	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.6	166.9	0	0	0	0	0	109.3	L50 I52 H115 I116 S119	L50-A58 HydrophobicContact CD2-CB 4.28Å; I52-A58 HydrophobicContact CG1-CB 3.97Å; I52-A58 HydrophobicContact CG2-CB 4.45Å; A58-H115 CarbonylContact O-C 3.56Å; A58-H115 VanDerWaalsContact O-CA 3.24Å; A58-H115 WeakPolarHBondContact O-CA 3.46Å; A58-I116 HydrophobicContact CB-CB 4.29Å; A58-I116 PolarHBondContact N-O 2.98Å; A58-I116 PolarHBondContact O-N 3.48Å; A58-S119 PolarHBondContact N-OG 3.43Å
59	T	95.3	Very high	91	Very high	54 Å²	54	66.5 Å²	66.5	33%	0.331	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.8	176.9	-59.5	0	0	0	0	109.5	L113 F114 H115	T59-L113 HydrophobicContact CG2-CB 4.46Å; T59-L113 HydrophobicContact CG2-CD2 4.4Å; T59-F114 CarbonylContact C-O 3.55Å; T59-F114 WeakPolarHBondContact CA-O 3.3Å; T59-H115 VanDerWaalsContact CG2-CE1 3.47Å; T59-H115 WeakPolarHBondContact CG2-CE1 3.35Å; T59-H115 WeakPolarHBondContact CG2-ND1 3.27Å; T59-H115 PolarHBondContact OG1-ND1 2.83Å
60	L	95.7	Very high	91.6	Very high	32 Å²	32	63.6 Å²	63.6	17%	0.168	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144	173	-61.3	113.5	0	0	0	109.5	W74 L113 F114 Y127	L60-W74 HydrophobicContact CB-CH2 3.92Å; L60-W74 HydrophobicContact CB-CZ3 4.02Å; L60-L113 CarbonylContact O-C 3.57Å; L60-L113 WeakPolarHBondContact O-CA 3.41Å; L60-F114 HydrophobicContact CB-CB 4.41Å; L60-F114 HydrophobicContact CD1-CD1 3.72Å; L60-F114 HydrophobicContact CD1-CE1 4.43Å; L60-F114 PolarHBondContact N-O 3.48Å; L60-F114 PolarHBondContact O-N 2.8Å; L60-Y127 HydrophobicContact CD1-CD2 4.3Å; L60-Y127 HydrophobicContact CD1-CG 4.13Å; L60-Y127 HydrophobicContact CD2-CD2 4.47Å; L60-Y127 HydrophobicContact CD2-CG 4.41Å
61	T	95.4	Very high	92	Very high	18 Å²	18	63.2 Å²	63.2	11%	0.11	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.7	-178.2	-56.2	0	0	0	0	109.8	Q45 N46 N63 Q111 L113	Q45-T61 WeakPolarHBondContact CA-O 3.42Å; N46-T61 PolarHBondContact N-O 2.79Å; N46-T61 WeakPolarHBondContact OD1-CB 3.27Å; T61-N63 WeakPolarHBondContact CG2-OD1 3.28Å; T61-Q111 HydrophobicContact CG2-CG 3.87Å; T61-L113 HydrophobicContact CG2-CD2 3.85Å; T61-L113 VanDerWaalsContact OG1-CD2 3.28Å; T61-L113 WeakPolarHBondContact OG1-CD2 3.47Å
62	C	94.8	Very high	92.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.6	174.1	176.3	0	0	0	0	108.8	Q45 W74 Q111 S112 C129	Q45-C62 HydrophobicContact CG-CB 4.29Å; C62-W74 HydrophobicContact CB-CH2 3.78Å; C62-W74 HydrophobicContact CB-CZ2 3.62Å; C62-Q111 CarbonylContact O-C 3.58Å; C62-Q111 VanDerWaalsContact O-CA 3.3Å; C62-Q111 WeakPolarHBondContact O-CA 3.18Å; C62-S112 PolarHBondContact N-O 2.96Å; C62-S112 PolarHBondContact O-N 2.79Å; C62-C129 HydrophobicContact CB-CB 3.63Å; C62-C129 WeakPolarHBondContact CB-SG 3.49Å; C62-C129 WeakPolarHBondContact SG-CB 3.35Å; C62-C129 CovalentContact SG-SG 2.04Å; C62-C129 PolarHBondContact SG-SG 2.86Å
63	N	94.2	Very high	92.5	Very high	49 Å²	49	54.9 Å²	54.9	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.3	177.5	-60.8	-28.2	0	0	0	110.3	I43 E44 T61 K110 Q111	I43-N63 WeakPolarHBondContact CA-O 3.24Å; E44-N63 HydrophobicContact CB-CB 4.33Å; E44-N63 PolarHBondContact N-O 2.72Å; E44-N63 PolarHBondContact O-N 2.97Å; T61-N63 WeakPolarHBondContact CG2-OD1 3.28Å; N63-K110 WeakPolarHBondContact CA-O 3.39Å; N63-Q111 VanDerWaalsContact OD1-CG 3.24Å; N63-Q111 WeakPolarHBondContact OD1-CG 3.33Å; N63-Q111 PolarHBondContact OD1-NE2 3.42Å
64	Y	91.6	Very high	92.7	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.8	174.6	60.1	-89.6	0	0	0	111.7	K42 Y67 P69 F105 T107 K110 L131	K42-Y64 WeakPolarHBondContact O-CA 3.33Å; Y64-Y67 VanDerWaalsContact CD2-O 3.23Å; Y64-Y67 WeakPolarHBondContact CD2-O 3.47Å; Y64-Y67 VanDerWaalsContact CE2-O 3.28Å; Y64-Y67 WeakPolarHBondContact CE2-O 3.48Å; Y64-P69 HydrophobicContact CE1-CG 4.41Å; Y64-P69 VanDerWaalsContact CE2-CD 3.42Å; Y64-P69 HydrophobicContact CE2-CG 4.38Å; Y64-P69 VanDerWaalsContact CZ-CD 3.5Å; Y64-F105 AromaticContact CE1-CE2 3.81Å; Y64-F105 HydrophobicContact CE1-CE2 3.81Å; Y64-F105 WeakPolarHBondContact OH-CE2 3.28Å; Y64-T107 WeakPolarHBondContact OH-CA 3.12Å; Y64-K110 HydrophobicContact CD1-CB 4.31Å; Y64-K110 WeakPolarHBondContact CD1-O 3.45Å; Y64-K110 HydrophobicContact CD2-CB 3.78Å; Y64-K110 HydrophobicContact CD2-CD 4.29Å; Y64-K110 HydrophobicContact CD2-CG 4.16Å; Y64-K110 HydrophobicContact CE1-CB 4.1Å; Y64-K110 WeakPolarHBondContact CE1-O 3.34Å; Y64-K110 HydrophobicContact CE2-CB 3.53Å; Y64-K110 HydrophobicContact CE2-CD 4.18Å; Y64-K110 HydrophobicContact CE2-CG 3.68Å; Y64-K110 HydrophobicContact CG-CB 4.17Å; Y64-K110 PolarHBondContact N-O 2.94Å; Y64-K110 WeakPolarHBondContact O-CB 3.21Å; Y64-K110 WeakPolarHBondContact O-CD 3.28Å; Y64-L131 VanDerWaalsContact CB-CD1 3.45Å; Y64-L131 HydrophobicContact CD1-CD1 4.16Å; Y64-L131 HydrophobicContact CG-CD1 3.89Å
65	T	87.2	Confident	92.8	Very high	57 Å²	57	45.3 Å²	45.3	35%	0.35	25%	0.249	S	C	.	.			trans	-109	-40.2	-170.8	60.3	0	0	0	0	114.4	K42 K110	K42-T65 HydrophobicContact CB-CG2 4.41Å; K42-T65 PolarHBondContact O-N 2.96Å; T65-K110 PolarHBondContact O-NZ 3.49Å
66	N	78.3	Confident	92.8	Very high	91 Å²	91	45.6 Å²	45.6	49%	0.487	23%	0.234	S	C	.	.	S	Bend	trans	-92.6	-73.8	-155.9	-65.9	-15.6	0	0	0	113.9	S40	S40-N66 PolarHBondContact O-ND2 3.13Å
67	Y	83.5	Confident	92.8	Very high	99 Å²	99	43 Å²	43	39%	0.388	22%	0.224	S	C	.	.	S	Bend	trans	-108.7	158.1	177.5	63.2	-92.1	0	0	0	111.1	Q41 Y64 P69	Q41-Y67 HydrophobicContact CB-CD1 4.36Å; Q41-Y67 HydrophobicContact CB-CE1 3.72Å; Q41-Y67 VanDerWaalsContact CD-CZ 3.41Å; Q41-Y67 HydrophobicContact CG-CD1 4.23Å; Q41-Y67 HydrophobicContact CG-CE1 3.85Å; Q41-Y67 PolarHBondContact OE1-OH 2.81Å; Y64-Y67 VanDerWaalsContact CD2-O 3.23Å; Y64-Y67 WeakPolarHBondContact CD2-O 3.47Å; Y64-Y67 VanDerWaalsContact CE2-O 3.28Å; Y64-Y67 WeakPolarHBondContact CE2-O 3.48Å; Y67-P69 HydrophobicContact CD2-CB 4.39Å; Y67-P69 HydrophobicContact CE2-CB 4.01Å; Y67-P69 WeakPolarHBondContact O-CD 3.24Å
68	S	85.6	Confident	92.8	Very high	65 Å²	65	41.4 Å²	41.4	46%	0.455	21%	0.213	S	C	.	.			trans	-80.2	112	169.6	-59.8	0	0	0	0	108.3
69	P	90.7	Very high	92.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.			trans	-75	144.7	-179.1	27.1	-24.7	0	0	0	109.9	Y64 Y67 Y71 F105 L131 D132	Y64-P69 HydrophobicContact CE1-CG 4.41Å; Y64-P69 VanDerWaalsContact CE2-CD 3.42Å; Y64-P69 HydrophobicContact CE2-CG 4.38Å; Y64-P69 VanDerWaalsContact CZ-CD 3.5Å; Y67-P69 HydrophobicContact CD2-CB 4.39Å; Y67-P69 HydrophobicContact CE2-CB 4.01Å; Y67-P69 WeakPolarHBondContact O-CD 3.24Å; P69-Y71 PolarHBondContact O-N 3.41Å; P69-F105 HydrophobicContact CG-CE2 4.43Å; P69-F105 HydrophobicContact CG-CZ 3.92Å; P69-F105 WeakPolarHBondContact O-CZ 3.47Å; P69-L131 HydrophobicContact CB-CB 3.99Å; P69-L131 HydrophobicContact CG-CB 4.09Å; P69-L131 HydrophobicContact CG-CD1 4.35Å; P69-L131 HydrophobicContact CG-CD2 3.84Å; P69-L131 HydrophobicContact CG-CG 4.29Å; P69-D132 CarbonylContact C-O 3.6Å; P69-D132 WeakPolarHBondContact CB-O 3.46Å
70	A	93.3	Very high	92.7	Very high	37 Å²	37	48.4 Å²	48.4	31%	0.306	28%	0.275	S	S	.	.	S	Bend	trans	-70	-30.2	177.5	0	0	0	0	0	110.6	R90 E91 D132	A70-R90 WeakPolarHBondContact O-CA 3.47Å; A70-E91 PolarHBondContact O-N 2.86Å; A70-D132 PolarHBondContact N-O 3.49Å
71	Y	94.1	Very high	92.7	Very high	93 Å²	93	55.1 Å²	55.1	37%	0.365	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.8	179.9	-48.7	-77.3	0	0	0	112.3	P69 L88 I89 R90 D132	P69-Y71 PolarHBondContact O-N 3.41Å; Y71-L88 HydrophobicContact CD1-CD1 4.48Å; Y71-L88 HydrophobicContact CD1-CD2 4.01Å; Y71-I89 WeakPolarHBondContact CA-O 3.41Å; Y71-R90 HydrophobicContact CD1-CB 4.32Å; Y71-R90 HydrophobicContact CD1-CG 3.8Å; Y71-R90 HydrophobicContact CE1-CB 4.41Å; Y71-R90 HydrophobicContact CE1-CG 3.77Å; Y71-D132 HydrophobicContact CD2-CB 4.41Å; Y71-D132 PolarHBondContact N-O 2.94Å; Y71-D132 PolarHBondContact O-N 2.04Å
72	L	95.3	Very high	92.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133	170.2	-172.4	151.4	0	0	0	109.9	W74 L88 I89 F105 S112 L131	L72-W74 VanDerWaalsContact CD2-CD1 3.45Å; L72-W74 HydrophobicContact CD2-CG 4.4Å; L72-L88 CarbonylContact O-C 3.49Å; L72-L88 WeakPolarHBondContact O-CA 3.49Å; L72-I89 HydrophobicContact CB-CG2 3.91Å; L72-I89 HydrophobicContact CD2-CG2 4.26Å; L72-I89 PolarHBondContact N-O 2.8Å; L72-I89 PolarHBondContact O-N 2.87Å; L72-F105 HydrophobicContact CB-CD1 4.48Å; L72-F105 HydrophobicContact CB-CE1 4.25Å; L72-F105 HydrophobicContact CB-CE2 4.37Å; L72-F105 HydrophobicContact CB-CZ 4.22Å; L72-F105 HydrophobicContact CD1-CD2 4.15Å; L72-F105 HydrophobicContact CD1-CE2 4Å; L72-S112 WeakPolarHBondContact CD2-OG 3.46Å; L72-L131 HydrophobicContact CB-CD2 4.14Å; L72-L131 HydrophobicContact CD1-CD2 3.35Å; L72-L131 HydrophobicContact CG-CD2 3.61Å
73	Q	96.3	Very high	92.8	Very high	41 Å²	41	59.9 Å²	59.9	19%	0.192	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.1	-174.6	-61.8	172.5	-22.6	0	0	110.3	Y75 F85 L87 L88 C129 A130	Q73-Y75 HydrophobicContact CB-CD2 4.36Å; Q73-Y75 HydrophobicContact CB-CE2 3.61Å; Q73-Y75 PolarHBondContact OE1-OH 3.23Å; Q73-F85 HydrophobicContact CB-CE2 4.35Å; Q73-F85 HydrophobicContact CG-CE2 4.3Å; Q73-L87 WeakPolarHBondContact CA-O 3.4Å; Q73-L88 HydrophobicContact CG-CB 4.28Å; Q73-L88 HydrophobicContact CG-CD1 3.99Å; Q73-L88 HydrophobicContact CG-CG 4.19Å; Q73-C129 CarbonylContact O-C 3.57Å; Q73-C129 VanDerWaalsContact O-CA 3.28Å; Q73-C129 WeakPolarHBondContact O-CA 3.38Å; Q73-A130 HydrophobicContact CB-CB 4.45Å; Q73-A130 PolarHBondContact N-O 2.81Å; Q73-A130 PolarHBondContact O-N 3.1Å
74	W	97.1	Very high	93	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.5	173.3	-77.1	93.9	0	0	0	110.8	L60 C62 L72 L86 L87 V103 S112 F114 L128 C129	L60-W74 HydrophobicContact CB-CH2 3.92Å; L60-W74 HydrophobicContact CB-CZ3 4.02Å; C62-W74 HydrophobicContact CB-CH2 3.78Å; C62-W74 HydrophobicContact CB-CZ2 3.62Å; L72-W74 VanDerWaalsContact CD2-CD1 3.45Å; L72-W74 HydrophobicContact CD2-CG 4.4Å; W74-L86 WeakPolarHBondContact O-CB 3.35Å; W74-L86 PolarHBondContact O-N 3.31Å; W74-L87 PolarHBondContact N-O 2.75Å; W74-L87 PolarHBondContact O-N 3.13Å; W74-V103 HydrophobicContact CG-CG2 4.39Å; W74-S112 PolarHBondContact NE1-OG 2.9Å; W74-F114 HydrophobicContact CB-CD2 3.63Å; W74-F114 HydrophobicContact CB-CE2 3.8Å; W74-F114 AromaticContact CD1-CD2 3.73Å; W74-F114 HydrophobicContact CD2-CB 3.54Å; W74-F114 AromaticContact CD2-CD2 3.64Å; W74-F114 HydrophobicContact CD2-CD2 3.64Å; W74-F114 AromaticContact CD2-CG 3.76Å; W74-F114 HydrophobicContact CD2-CG 3.76Å; W74-F114 HydrophobicContact CE3-CB 3.82Å; W74-F114 HydrophobicContact CE3-CD2 4.17Å; W74-F114 AromaticContact CE3-CG 3.96Å; W74-F114 HydrophobicContact CE3-CG 3.96Å; W74-F114 HydrophobicContact CG-CB 4.14Å; W74-F114 AromaticContact CG-CD2 3.36Å; W74-F114 HydrophobicContact CG-CD2 3.36Å; W74-F114 HydrophobicContact CG-CE2 4.06Å; W74-F114 HydrophobicContact CG-CG 4.02Å; W74-F114 HydrophobicContact CH2-CB 3.77Å; W74-F114 HydrophobicContact CZ2-CB 3.51Å; W74-F114 HydrophobicContact CZ3-CB 3.93Å; W74-F114 HydrophobicContact CZ3-CG 4.44Å; W74-L128 WeakPolarHBondContact CA-O 3.48Å; W74-C129 HydrophobicContact CD2-CB 4.21Å; W74-C129 HydrophobicContact CE3-CB 4.18Å; W74-C129 HydrophobicContact CH2-CB 4.17Å; W74-C129 HydrophobicContact CZ2-CB 4.15Å; W74-C129 HydrophobicContact CZ3-CB 4.17Å
75	Y	96.8	Very high	93.3	Very high	57 Å²	57	66 Å²	66	22%	0.224	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.9	-179.6	-66.7	-99.2	0	0	0	110.7	Q73 P83 V84 F85 Y127 L128 A130	Q73-Y75 HydrophobicContact CB-CD2 4.36Å; Q73-Y75 HydrophobicContact CB-CE2 3.61Å; Q73-Y75 PolarHBondContact OE1-OH 3.23Å; Y75-P83 HydrophobicContact CD1-CB 3.86Å; Y75-P83 HydrophobicContact CG-CB 4.17Å; Y75-V84 CarbonylContact C-O 3.5Å; Y75-V84 WeakPolarHBondContact CA-O 3.48Å; Y75-F85 HydrophobicContact CD1-CB 4.18Å; Y75-F85 HydrophobicContact CE1-CB 3.84Å; Y75-F85 HydrophobicContact CE1-CD2 4.31Å; Y75-Y127 CarbonylContact O-C 3.55Å; Y75-Y127 VanDerWaalsContact O-CA 3.3Å; Y75-Y127 WeakPolarHBondContact O-CA 3.49Å; Y75-L128 PolarHBondContact N-O 2.87Å; Y75-L128 PolarHBondContact O-N 2.78Å; Y75-A130 HydrophobicContact CE2-CB 4.07Å
76	R	96.2	Very high	93.7	Very high	56 Å²	56	64.5 Å²	64.5	21%	0.211	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.7	165.3	173.4	176.4	172.7	151.5	6.5	108.9	D78 P83 V84 L86 A122 A125 T126 Y127	R76-D78 IonicContact CZ-OD1 3.3Å; R76-D78 VanDerWaalsContact CZ-OD1 3.28Å; R76-D78 IonicContact NE-OD1 3.28Å; R76-D78 PolarHBondContact NE-OD1 2.85Å; R76-D78 IonicContact NE-OD2 3.67Å; R76-D78 PolarHBondContact NE-OD2 3.31Å; R76-D78 IonicContact NH2-OD1 2.78Å; R76-D78 PolarHBondContact NH2-OD1 2.65Å; R76-P83 CarbonylContact O-C 3.6Å; R76-P83 WeakPolarHBondContact O-CA 3.05Å; R76-V84 PolarHBondContact N-O 2.84Å; R76-V84 PolarHBondContact O-N 3.46Å; R76-L86 HydrophobicContact CB-CD1 3.89Å; R76-L86 HydrophobicContact CB-CD2 3.87Å; R76-L86 HydrophobicContact CB-CG 4.07Å; R76-A122 VanDerWaalsContact CZ-O 3.28Å; R76-A122 PolarHBondContact NH1-O 3.02Å; R76-A122 PolarHBondContact NH2-O 2.89Å; R76-A125 HydrophobicContact CG-CB 3.68Å; R76-T126 CarbonylContact C-O 3.58Å; R76-Y127 HydrophobicContact CB-CD1 4.44Å; R76-Y127 HydrophobicContact CB-CE1 4.2Å; R76-Y127 HydrophobicContact CG-CE1 4.47Å
77	Q	96.1	Very high	94.6	Very high	62 Å²	62	60.7 Å²	60.7	29%	0.29	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	110.6	173.1	-173.8	177.7	26.2	0	0	109.6	R81 T126 L128	Q77-R81 WeakPolarHBondContact CG-O 3.04Å; Q77-R81 PolarHBondContact NE2-O 2.82Å; Q77-R81 VanDerWaalsContact NE2-O 3.11Å; Q77-T126 PolarHBondContact N-O 3Å; Q77-T126 PolarHBondContact O-N 2.94Å; Q77-L128 HydrophobicContact CB-CD1 4.36Å
78	D	95.6	Very high	95.2	Very high	40 Å²	40	57.8 Å²	57.8	21%	0.214	33%	0.33	C	S	.	.			trans	-80.1	152.7	170.7	-59.9	-64.3	0	0	0	110.5	R76 G80 R81	R76-D78 IonicContact CZ-OD1 3.3Å; R76-D78 VanDerWaalsContact CZ-OD1 3.28Å; R76-D78 IonicContact NE-OD1 3.28Å; R76-D78 PolarHBondContact NE-OD1 2.85Å; R76-D78 IonicContact NE-OD2 3.67Å; R76-D78 PolarHBondContact NE-OD2 3.31Å; R76-D78 IonicContact NH2-OD1 2.78Å; R76-D78 PolarHBondContact NH2-OD1 2.65Å; D78-G80 PolarHBondContact O-N 2.89Å; D78-R81 HydrophobicContact CB-CB 4.42Å; D78-R81 HydrophobicContact CB-CG 4.34Å; D78-R81 PolarHBondContact O-N 3.11Å
79	P	93.5	Very high	95.8	Very high	120 Å²	120	54.7 Å²	54.7	78%	0.779	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	128	178.3	-26.6	34.8	0	0	0	112.5	R81	P79-R81 VanDerWaalsContact C-N 3.25Å; P79-R81 PolarHBondContact O-N 3.19Å
80	G	95.5	Very high	96	Very high	92 Å²	92	59.9 Å²	59.9	95%	0.948	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	4.7	180	0	0	0	0	0	115.4	D78	D78-G80 PolarHBondContact O-N 2.89Å
81	R	96	Very high	96.1	Very high	173 Å²	173	62.9 Å²	62.9	65%	0.653	34%	0.335	S	S	*	.	S	Bend	trans	-113.8	159.7	177.2	-55.1	-172.2	-158.4	-108.1	0.3	111.6	Q77 D78 P79	Q77-R81 WeakPolarHBondContact CG-O 3.04Å; Q77-R81 PolarHBondContact NE2-O 2.82Å; Q77-R81 VanDerWaalsContact NE2-O 3.11Å; D78-R81 HydrophobicContact CB-CB 4.42Å; D78-R81 HydrophobicContact CB-CG 4.34Å; D78-R81 PolarHBondContact O-N 3.11Å; P79-R81 VanDerWaalsContact C-N 3.25Å; P79-R81 PolarHBondContact O-N 3.19Å
82	G	95.7	Very high	96.1	Very high	46 Å²	46	64.5 Å²	64.5	47%	0.474	35%	0.35	S	S	.	.			trans	-72.9	163.9	170.4	0	0	0	0	0	112.1
83	P	96.7	Very high	96.1	Very high	73 Å²	73	66.6 Å²	66.6	47%	0.474	36%	0.36	S	S	.	.			trans	-62.2	136.4	174.8	-21	33.2	0	0	0	112.4	Y75 R76 L128	Y75-P83 HydrophobicContact CD1-CB 3.86Å; Y75-P83 HydrophobicContact CG-CB 4.17Å; R76-P83 CarbonylContact O-C 3.6Å; R76-P83 WeakPolarHBondContact O-CA 3.05Å; P83-L128 HydrophobicContact CB-CD1 4.35Å; P83-L128 HydrophobicContact CG-CD1 4Å
84	V	97.7	Very high	96	Very high	83 Å²	83	70.8 Å²	70.8	50%	0.503	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.4	176.7	-179.5	0	0	0	0	109.3	Y75 R76	Y75-V84 CarbonylContact C-O 3.5Å; Y75-V84 WeakPolarHBondContact CA-O 3.48Å; R76-V84 PolarHBondContact N-O 2.84Å; R76-V84 PolarHBondContact O-N 3.46Å
85	F	97.2	Very high	96	Very high	100 Å²	100	75.4 Å²	75.4	44%	0.439	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.6	-179.1	174.3	-101.1	0	0	0	112.2	Q73 Y75 L87 L88	Q73-F85 HydrophobicContact CB-CE2 4.35Å; Q73-F85 HydrophobicContact CG-CE2 4.3Å; Y75-F85 HydrophobicContact CD1-CB 4.18Å; Y75-F85 HydrophobicContact CE1-CB 3.84Å; Y75-F85 HydrophobicContact CE1-CD2 4.31Å; F85-L87 VanDerWaalsContact CE2-C 3.41Å; F85-L87 WeakPolarHBondContact CE2-O 3.29Å; F85-L88 HydrophobicContact CE2-CB 3.79Å; F85-L88 HydrophobicContact CZ-CB 3.62Å; F85-L88 VanDerWaalsContact CZ-N 3.34Å
86	L	97	Very high	96	Very high	26 Å²	26	75.6 Å²	75.6	14%	0.136	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-57.1	177.3	-58.9	176.3	0	0	0	111.9	W74 R76 L101 F114 Y127	W74-L86 WeakPolarHBondContact O-CB 3.35Å; W74-L86 PolarHBondContact O-N 3.31Å; R76-L86 HydrophobicContact CB-CD1 3.89Å; R76-L86 HydrophobicContact CB-CD2 3.87Å; R76-L86 HydrophobicContact CB-CG 4.07Å; L86-L101 HydrophobicContact CB-CD1 4.18Å; L86-L101 HydrophobicContact CD2-CD1 4.45Å; L86-F114 HydrophobicContact CB-CE2 4.43Å; L86-F114 HydrophobicContact CD1-CE1 4.27Å; L86-F114 HydrophobicContact CD1-CE2 4.05Å; L86-F114 HydrophobicContact CD1-CZ 3.53Å; L86-Y127 HydrophobicContact CD1-CD1 3.73Å; L86-Y127 HydrophobicContact CD1-CE1 3.64Å
87	L	97	Very high	96.1	Very high	11 Å²	11	80.5 Å²	80.5	6%	0.058	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	146.2	-171.8	-154.4	73	0	0	0	111.7	Q73 W74 F85 K96 K98 V103	Q73-L87 WeakPolarHBondContact CA-O 3.4Å; W74-L87 PolarHBondContact N-O 2.75Å; W74-L87 PolarHBondContact O-N 3.13Å; F85-L87 VanDerWaalsContact CE2-C 3.41Å; F85-L87 WeakPolarHBondContact CE2-O 3.29Å; L87-K96 HydrophobicContact CD1-CD 4.3Å; L87-K96 HydrophobicContact CD1-CG 4.49Å; L87-K96 HydrophobicContact CD2-CB 4.03Å; L87-K96 HydrophobicContact CD2-CD 4.21Å; L87-K96 HydrophobicContact CD2-CG 4.08Å; L87-K96 HydrophobicContact CG-CD 4.13Å; L87-K96 HydrophobicContact CG-CG 4.46Å; L87-K98 HydrophobicContact CD1-CB 3.58Å; L87-K98 HydrophobicContact CD1-CD 3.9Å; L87-K98 HydrophobicContact CD1-CG 4.39Å; L87-V103 HydrophobicContact CB-CG2 4.33Å; L87-V103 HydrophobicContact CD2-CB 3.84Å; L87-V103 HydrophobicContact CD2-CG2 3.48Å; L87-V103 VanDerWaalsContact CD2-CG2 3.48Å; L87-V103 HydrophobicContact CG-CG2 4.46Å
88	L	96.5	Very high	96.1	Very high	39 Å²	39	82.2 Å²	82.2	20%	0.204	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.7	171.4	174.5	155.2	0	0	0	108.7	Y71 L72 Q73 F85 R90 K96	Y71-L88 HydrophobicContact CD1-CD1 4.48Å; Y71-L88 HydrophobicContact CD1-CD2 4.01Å; L72-L88 CarbonylContact O-C 3.49Å; L72-L88 WeakPolarHBondContact O-CA 3.49Å; Q73-L88 HydrophobicContact CG-CB 4.28Å; Q73-L88 HydrophobicContact CG-CD1 3.99Å; Q73-L88 HydrophobicContact CG-CG 4.19Å; F85-L88 HydrophobicContact CE2-CB 3.79Å; F85-L88 HydrophobicContact CZ-CB 3.62Å; F85-L88 VanDerWaalsContact CZ-N 3.34Å; L88-R90 HydrophobicContact CD2-CG 4.06Å; L88-K96 WeakPolarHBondContact O-CD 3.24Å; L88-K96 WeakPolarHBondContact O-CE 3.39Å; L88-K96 PolarHBondContact O-NZ 3.48Å
89	I	97.1	Very high	96.1	Very high	0 Å²	0	88 Å²	88	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.9	173.1	-169.3	160.6	0	0	0	109.7	Y71 L72 E93 K96 V103 F105	Y71-I89 WeakPolarHBondContact CA-O 3.41Å; L72-I89 HydrophobicContact CB-CG2 3.91Å; L72-I89 HydrophobicContact CD2-CG2 4.26Å; L72-I89 PolarHBondContact N-O 2.8Å; L72-I89 PolarHBondContact O-N 2.87Å; I89-E93 WeakPolarHBondContact CA-OE2 3.39Å; I89-E93 HydrophobicContact CD1-CB 4.32Å; I89-E93 WeakPolarHBondContact CD1-O 3.47Å; I89-E93 HydrophobicContact CG1-CB 3.72Å; I89-K96 HydrophobicContact CD1-CB 4.03Å; I89-K96 HydrophobicContact CG1-CB 4.31Å; I89-V103 HydrophobicContact CB-CG1 4.16Å; I89-V103 HydrophobicContact CD1-CB 4.39Å; I89-V103 HydrophobicContact CD1-CG1 4.07Å; I89-V103 WeakPolarHBondContact CD1-O 3.3Å; I89-V103 HydrophobicContact CG2-CG1 3.67Å; I89-F105 HydrophobicContact CB-CB 4.48Å; I89-F105 HydrophobicContact CD1-CB 3.67Å; I89-F105 HydrophobicContact CG1-CB 3.92Å; I89-F105 HydrophobicContact CG1-CD1 4.37Å; I89-F105 HydrophobicContact CG2-CB 3.76Å; I89-F105 HydrophobicContact CG2-CD1 3.87Å; I89-F105 HydrophobicContact CG2-CG 4.01Å
90	R	96	Very high	96.2	Very high	109 Å²	109	85.4 Å²	85.4	41%	0.411	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	155.4	178.4	-54.6	-171.4	175.5	92.2	-5.1	110.9	A70 Y71 L88 N92 E93 F105	A70-R90 WeakPolarHBondContact O-CA 3.47Å; Y71-R90 HydrophobicContact CD1-CB 4.32Å; Y71-R90 HydrophobicContact CD1-CG 3.8Å; Y71-R90 HydrophobicContact CE1-CB 4.41Å; Y71-R90 HydrophobicContact CE1-CG 3.77Å; L88-R90 HydrophobicContact CD2-CG 4.06Å; R90-N92 WeakPolarHBondContact CB-OD1 3.41Å; R90-N92 PolarHBondContact O-N 3.01Å; R90-N92 VanDerWaalsContact O-N 3.1Å; R90-E93 HydrophobicContact CB-CB 4.47Å; R90-E93 HydrophobicContact CB-CG 4.05Å; R90-E93 IonicContact CZ-OE1 3.93Å; R90-E93 PolarHBondContact N-OE2 3.49Å; R90-E93 IonicContact NH1-OE1 2.81Å; R90-E93 PolarHBondContact NH1-OE1 3.33Å; R90-E93 WeakPolarHBondContact O-CA 3.46Å; R90-E93 WeakPolarHBondContact O-CB 3.28Å; R90-E93 PolarHBondContact O-N 3.31Å; R90-F105 WeakPolarHBondContact O-CD1 3.35Å
91	E	93.7	Very high	96.3	Very high	99 Å²	99	82.2 Å²	82.2	46%	0.463	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.2	179.1	59.6	165.2	-159	0	0	114.8	A70 E93 F105 T107	A70-E91 PolarHBondContact O-N 2.86Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E91-F105 VanDerWaalsContact CA-CE1 3.47Å; E91-F105 HydrophobicContact CB-CE1 4.03Å; E91-T107 HydrophobicContact CB-CG2 4.05Å
92	N	93.9	Very high	96.4	Very high	128 Å²	128	76.4 Å²	76.4	68%	0.684	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8	177.1	67.3	-20.7	0	0	0	113.3	R90	R90-N92 WeakPolarHBondContact CB-OD1 3.41Å; R90-N92 PolarHBondContact O-N 3.01Å; R90-N92 VanDerWaalsContact O-N 3.1Å
93	E	95.8	Very high	96.5	Very high	44 Å²	44	74.3 Å²	74.3	21%	0.206	35%	0.345	C	S	.	.			trans	-96.5	114.3	176.5	-65.8	171.3	171	0	0	109.1	I89 R90 E91 K96	I89-E93 WeakPolarHBondContact CA-OE2 3.39Å; I89-E93 HydrophobicContact CD1-CB 4.32Å; I89-E93 WeakPolarHBondContact CD1-O 3.47Å; I89-E93 HydrophobicContact CG1-CB 3.72Å; R90-E93 HydrophobicContact CB-CB 4.47Å; R90-E93 HydrophobicContact CB-CG 4.05Å; R90-E93 IonicContact CZ-OE1 3.93Å; R90-E93 PolarHBondContact N-OE2 3.49Å; R90-E93 IonicContact NH1-OE1 2.81Å; R90-E93 PolarHBondContact NH1-OE1 3.33Å; R90-E93 WeakPolarHBondContact O-CA 3.46Å; R90-E93 WeakPolarHBondContact O-CB 3.28Å; R90-E93 PolarHBondContact O-N 3.31Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E93-K96 IonicContact OE1-NZ 2.79Å; E93-K96 IonicContact OE2-NZ 3.7Å; E93-K96 PolarHBondContact OE2-NZ 3.1Å
94	K	95	Very high	96.5	Very high	128 Å²	128	72.3 Å²	72.3	56%	0.557	33%	0.332	S	S	*	.	S	Bend	trans	-72.6	-35.2	177	-68.1	-60.7	-174.7	-175.9	0	113.2	T104 F105	K94-T104 WeakPolarHBondContact O-CA 3.35Å; K94-F105 PolarHBondContact O-N 2.93Å
95	E	97	Very high	96.4	Very high	98 Å²	98	68.5 Å²	68.5	46%	0.458	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.9	179.1	-175.5	178	101.8	0	0	110.4	K102 V103 T104	E95-K102 HydrophobicContact CG-CD 4.27Å; E95-K102 HydrophobicContact CG-CG 3.87Å; E95-K102 VanDerWaalsContact OE2-CD 3.28Å; E95-K102 WeakPolarHBondContact OE2-CD 3.39Å; E95-K102 WeakPolarHBondContact OE2-CE 3.39Å; E95-K102 IonicContact OE2-NZ 2.72Å; E95-K102 PolarHBondContact OE2-NZ 3.36Å; E95-V103 CarbonylContact C-O 3.6Å; E95-V103 VanDerWaalsContact CA-O 3.24Å; E95-V103 WeakPolarHBondContact CA-O 3.48Å; E95-V103 WeakPolarHBondContact CG-O 3.22Å; E95-T104 HydrophobicContact CB-CG2 4.43Å; E95-T104 HydrophobicContact CG-CG2 4.19Å
96	K	97.1	Very high	96.2	Very high	61 Å²	61	66.1 Å²	66.1	27%	0.265	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.3	170.5	-165.3	175.1	-164.2	153.9	0	110.8	L87 L88 I89 E93 K102 V103	L87-K96 HydrophobicContact CD1-CD 4.3Å; L87-K96 HydrophobicContact CD1-CG 4.49Å; L87-K96 HydrophobicContact CD2-CB 4.03Å; L87-K96 HydrophobicContact CD2-CD 4.21Å; L87-K96 HydrophobicContact CD2-CG 4.08Å; L87-K96 HydrophobicContact CG-CD 4.13Å; L87-K96 HydrophobicContact CG-CG 4.46Å; L88-K96 WeakPolarHBondContact O-CD 3.24Å; L88-K96 WeakPolarHBondContact O-CE 3.39Å; L88-K96 PolarHBondContact O-NZ 3.48Å; I89-K96 HydrophobicContact CD1-CB 4.03Å; I89-K96 HydrophobicContact CG1-CB 4.31Å; E93-K96 IonicContact OE1-NZ 2.79Å; E93-K96 IonicContact OE2-NZ 3.7Å; E93-K96 PolarHBondContact OE2-NZ 3.1Å; K96-K102 CarbonylContact O-C 3.59Å; K96-K102 WeakPolarHBondContact O-CA 3.29Å; K96-V103 PolarHBondContact N-O 3.02Å; K96-V103 PolarHBondContact O-N 3.4Å
97	R	96.8	Very high	96	Very high	158 Å²	158	66.5 Å²	66.5	60%	0.596	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.8	-179	-163	175.8	-162.7	162.7	6.9	111.3	L101 K102	R97-L101 WeakPolarHBondContact CA-O 3.03Å; R97-L101 WeakPolarHBondContact CG-O 3.38Å; R97-K102 HydrophobicContact CG-CB 4.47Å
98	K	96.6	Very high	95.7	Very high	98 Å²	98	71.6 Å²	71.6	43%	0.426	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	109.4	170.6	-179.7	-179.6	175.1	-174.8	0	108.3	L87 R100 L101	L87-K98 HydrophobicContact CD1-CB 3.58Å; L87-K98 HydrophobicContact CD1-CD 3.9Å; L87-K98 HydrophobicContact CD1-CG 4.39Å; K98-R100 PolarHBondContact O-N 2.97Å; K98-L101 PolarHBondContact N-O 3Å; K98-L101 WeakPolarHBondContact O-CA 3.36Å; K98-L101 VanDerWaalsContact O-CB 3.29Å; K98-L101 WeakPolarHBondContact O-CB 3.42Å; K98-L101 PolarHBondContact O-N 3.28Å
99	E	95.6	Very high	95.6	Very high	163 Å²	163	75.5 Å²	75.5	76%	0.762	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-120.5	-176.7	-56.8	169.3	-165.1	0	0	111.5	L101	E99-L101 VanDerWaalsContact C-N 3.3Å
100	R	96.6	Very high	95.4	Very high	65 Å²	65	79 Å²	79	25%	0.245	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.7	176.6	-63.8	-173	-58.6	112.9	3.9	113.5	K98 I116 T117 A118 D123	K98-R100 PolarHBondContact O-N 2.97Å; R100-I116 WeakPolarHBondContact O-CA 3.47Å; R100-T117 WeakPolarHBondContact CA-OG1 3.48Å; R100-T117 WeakPolarHBondContact CB-O 3.48Å; R100-T117 PolarHBondContact NH1-O 2.86Å; R100-T117 PolarHBondContact O-N 2.81Å; R100-T117 PolarHBondContact O-OG1 3.21Å; R100-T117 VanDerWaalsContact O-OG1 3.13Å; R100-A118 PolarHBondContact NH1-O 2.91Å; R100-D123 IonicContact CZ-OD1 2.93Å; R100-D123 IonicContact CZ-OD2 2.74Å; R100-D123 IonicContact NH1-OD1 3.47Å; R100-D123 IonicContact NH1-OD2 3.91Å; R100-D123 PolarHBondContact NH1-OD2 2.86Å; R100-D123 IonicContact NH2-OD1 2.65Å; R100-D123 PolarHBondContact NH2-OD1 3.37Å; R100-D123 IonicContact NH2-OD2 3.49Å; R100-D123 PolarHBondContact NH2-OD2 3.06Å
101	L	97.2	Very high	95.3	Very high	24 Å²	24	76.1 Å²	76.1	13%	0.126	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.1	-178.1	-48.2	-178.1	0	0	0	110.6	L86 R97 K98 E99 F114 H115 I116	L86-L101 HydrophobicContact CB-CD1 4.18Å; L86-L101 HydrophobicContact CD2-CD1 4.45Å; R97-L101 WeakPolarHBondContact CA-O 3.03Å; R97-L101 WeakPolarHBondContact CG-O 3.38Å; K98-L101 PolarHBondContact N-O 3Å; K98-L101 WeakPolarHBondContact O-CA 3.36Å; K98-L101 VanDerWaalsContact O-CB 3.29Å; K98-L101 WeakPolarHBondContact O-CB 3.42Å; K98-L101 PolarHBondContact O-N 3.28Å; E99-L101 VanDerWaalsContact C-N 3.3Å; L101-F114 HydrophobicContact CB-CE2 4.35Å; L101-F114 HydrophobicContact CB-CZ 4.19Å; L101-F114 HydrophobicContact CD1-CE2 4.43Å; L101-F114 HydrophobicContact CD1-CZ 3.98Å; L101-F114 HydrophobicContact CD2-CE1 4.21Å; L101-F114 HydrophobicContact CD2-CZ 3.76Å; L101-F114 HydrophobicContact CG-CZ 4.18Å; L101-H115 CarbonylContact C-O 3.53Å; L101-H115 WeakPolarHBondContact CA-O 3.35Å; L101-I116 HydrophobicContact CD2-CB 4.44Å; L101-I116 HydrophobicContact CD2-CG1 3.92Å; L101-I116 HydrophobicContact CD2-CG2 4.2Å
102	K	97.6	Very high	95.4	Very high	52 Å²	52	71.4 Å²	71.4	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	130	176	-169.8	-176.5	84.8	133.6	0	110	E95 K96 R97 H115	E95-K102 HydrophobicContact CG-CD 4.27Å; E95-K102 HydrophobicContact CG-CG 3.87Å; E95-K102 VanDerWaalsContact OE2-CD 3.28Å; E95-K102 WeakPolarHBondContact OE2-CD 3.39Å; E95-K102 WeakPolarHBondContact OE2-CE 3.39Å; E95-K102 IonicContact OE2-NZ 2.72Å; E95-K102 PolarHBondContact OE2-NZ 3.36Å; K96-K102 CarbonylContact O-C 3.59Å; K96-K102 WeakPolarHBondContact O-CA 3.29Å; R97-K102 HydrophobicContact CG-CB 4.47Å; K102-H115 HydrophobicContact CB-CB 4.21Å; K102-H115 VanDerWaalsContact CE-CD2 3.48Å; K102-H115 WeakPolarHBondContact CE-CD2 3.43Å; K102-H115 PolarHBondContact N-O 2.88Å; K102-H115 PolarHBondContact O-N 2.72Å
103	V	97.3	Very high	95.5	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.9	177	180	0	0	0	0	109.4	W74 L87 I89 E95 K96 S112 L113 F114	W74-V103 HydrophobicContact CG-CG2 4.39Å; L87-V103 HydrophobicContact CB-CG2 4.33Å; L87-V103 HydrophobicContact CD2-CB 3.84Å; L87-V103 HydrophobicContact CD2-CG2 3.48Å; L87-V103 VanDerWaalsContact CD2-CG2 3.48Å; L87-V103 HydrophobicContact CG-CG2 4.46Å; I89-V103 HydrophobicContact CB-CG1 4.16Å; I89-V103 HydrophobicContact CD1-CB 4.39Å; I89-V103 HydrophobicContact CD1-CG1 4.07Å; I89-V103 WeakPolarHBondContact CD1-O 3.3Å; I89-V103 HydrophobicContact CG2-CG1 3.67Å; E95-V103 CarbonylContact C-O 3.6Å; E95-V103 VanDerWaalsContact CA-O 3.24Å; E95-V103 WeakPolarHBondContact CA-O 3.48Å; E95-V103 WeakPolarHBondContact CG-O 3.22Å; K96-V103 PolarHBondContact N-O 3.02Å; K96-V103 PolarHBondContact O-N 3.4Å; V103-S112 WeakPolarHBondContact CG1-OG 3.42Å; V103-L113 CarbonylContact C-O 3.57Å; V103-L113 VanDerWaalsContact CA-O 3.26Å; V103-L113 WeakPolarHBondContact CA-O 3.36Å; V103-F114 HydrophobicContact CG2-CB 4.45Å; V103-F114 HydrophobicContact CG2-CD2 3.35Å; V103-F114 HydrophobicContact CG2-CE2 3.96Å; V103-F114 HydrophobicContact CG2-CG 4.29Å
104	T	97	Very high	95.6	Very high	32 Å²	32	65.2 Å²	65.2	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.7	165.8	62.7	0	0	0	0	109.2	K94 E95 S112 L113	K94-T104 WeakPolarHBondContact O-CA 3.35Å; E95-T104 HydrophobicContact CB-CG2 4.43Å; E95-T104 HydrophobicContact CG-CG2 4.19Å; T104-S112 WeakPolarHBondContact O-CA 3.26Å; T104-S112 VanDerWaalsContact O-CB 3.28Å; T104-S112 WeakPolarHBondContact O-CB 3.24Å; T104-S112 PolarHBondContact O-OG 3.15Å; T104-L113 PolarHBondContact N-O 2.73Å; T104-L113 PolarHBondContact O-N 2.74Å; T104-L113 VanDerWaalsContact O-N 3.15Å; T104-L113 WeakPolarHBondContact OG1-CB 3.35Å
105	F	95.5	Very high	95.7	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	113.4	178.9	-172.5	-160.3	0	0	0	110.1	Y64 P69 L72 I89 R90 E91 K94 T107	Y64-F105 AromaticContact CE1-CE2 3.81Å; Y64-F105 HydrophobicContact CE1-CE2 3.81Å; Y64-F105 WeakPolarHBondContact OH-CE2 3.28Å; P69-F105 HydrophobicContact CG-CE2 4.43Å; P69-F105 HydrophobicContact CG-CZ 3.92Å; P69-F105 WeakPolarHBondContact O-CZ 3.47Å; L72-F105 HydrophobicContact CB-CD1 4.48Å; L72-F105 HydrophobicContact CB-CE1 4.25Å; L72-F105 HydrophobicContact CB-CE2 4.37Å; L72-F105 HydrophobicContact CB-CZ 4.22Å; L72-F105 HydrophobicContact CD1-CD2 4.15Å; L72-F105 HydrophobicContact CD1-CE2 4Å; I89-F105 HydrophobicContact CB-CB 4.48Å; I89-F105 HydrophobicContact CD1-CB 3.67Å; I89-F105 HydrophobicContact CG1-CB 3.92Å; I89-F105 HydrophobicContact CG1-CD1 4.37Å; I89-F105 HydrophobicContact CG2-CB 3.76Å; I89-F105 HydrophobicContact CG2-CD1 3.87Å; I89-F105 HydrophobicContact CG2-CG 4.01Å; R90-F105 WeakPolarHBondContact O-CD1 3.35Å; E91-F105 VanDerWaalsContact CA-CE1 3.47Å; E91-F105 HydrophobicContact CB-CE1 4.03Å; K94-F105 PolarHBondContact O-N 2.93Å; F105-T107 HydrophobicContact CE1-CG2 4.36Å; F105-T107 HydrophobicContact CE2-CG2 4.17Å; F105-T107 HydrophobicContact CZ-CG2 4Å
106	D	94.1	Very high	95.7	Very high	50 Å²	50	55.9 Å²	55.9	27%	0.267	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	105.4	-179.7	-165.2	-36.6	0	0	0	109.9	T108 L109 K110 Q111	D106-T108 VanDerWaalsContact C-N 3.29Å; D106-T108 WeakPolarHBondContact OD1-CA 3.28Å; D106-T108 VanDerWaalsContact OD1-CB 3.27Å; D106-T108 WeakPolarHBondContact OD1-CB 3.23Å; D106-T108 PolarHBondContact OD1-N 3.34Å; D106-L109 HydrophobicContact CB-CB 4.12Å; D106-L109 HydrophobicContact CB-CG 4.48Å; D106-L109 PolarHBondContact OD1-N 3.01Å; D106-K110 WeakPolarHBondContact O-CA 3.4Å; D106-K110 PolarHBondContact O-N 3.45Å; D106-Q111 PolarHBondContact N-O 3.47Å; D106-Q111 PolarHBondContact O-N 3.01Å
107	T	91.6	Very high	95.6	Very high	35 Å²	35	54.6 Å²	54.6	22%	0.215	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.6	177.1	53.7	0	0	0	0	113.8	Y64 E91 F105	Y64-T107 WeakPolarHBondContact OH-CA 3.12Å; E91-T107 HydrophobicContact CB-CG2 4.05Å; F105-T107 HydrophobicContact CE1-CG2 4.36Å; F105-T107 HydrophobicContact CE2-CG2 4.17Å; F105-T107 HydrophobicContact CZ-CG2 4Å
108	T	92.1	Very high	95.6	Very high	118 Å²	118	49.4 Å²	49.4	72%	0.724	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-44.8	176.8	-53.6	0	0	0	0	110.4	D106 K110	D106-T108 VanDerWaalsContact C-N 3.29Å; D106-T108 WeakPolarHBondContact OD1-CA 3.28Å; D106-T108 VanDerWaalsContact OD1-CB 3.27Å; D106-T108 WeakPolarHBondContact OD1-CB 3.23Å; D106-T108 PolarHBondContact OD1-N 3.34Å; T108-K110 VanDerWaalsContact C-N 3.25Å; T108-K110 PolarHBondContact O-N 3.09Å
109	L	93.2	Very high	95.6	Very high	120 Å²	120	45.2 Å²	45.2	63%	0.628	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.1	175	-62.2	-179.7	0	0	0	113.5	D106 Q111	D106-L109 HydrophobicContact CB-CB 4.12Å; D106-L109 HydrophobicContact CB-CG 4.48Å; D106-L109 PolarHBondContact OD1-N 3.01Å; L109-Q111 VanDerWaalsContact C-N 3.31Å; L109-Q111 HydrophobicContact CB-CB 4.31Å; L109-Q111 PolarHBondContact O-N 3.34Å
110	K	93.6	Very high	95.6	Very high	73 Å²	73	42 Å²	42	32%	0.317	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	48.8	-174.3	-59.5	-175.6	174.7	178.2	0	112.9	N63 Y64 T65 D106 T108	N63-K110 WeakPolarHBondContact CA-O 3.39Å; Y64-K110 HydrophobicContact CD1-CB 4.31Å; Y64-K110 WeakPolarHBondContact CD1-O 3.45Å; Y64-K110 HydrophobicContact CD2-CB 3.78Å; Y64-K110 HydrophobicContact CD2-CD 4.29Å; Y64-K110 HydrophobicContact CD2-CG 4.16Å; Y64-K110 HydrophobicContact CE1-CB 4.1Å; Y64-K110 WeakPolarHBondContact CE1-O 3.34Å; Y64-K110 HydrophobicContact CE2-CB 3.53Å; Y64-K110 HydrophobicContact CE2-CD 4.18Å; Y64-K110 HydrophobicContact CE2-CG 3.68Å; Y64-K110 HydrophobicContact CG-CB 4.17Å; Y64-K110 PolarHBondContact N-O 2.94Å; Y64-K110 WeakPolarHBondContact O-CB 3.21Å; Y64-K110 WeakPolarHBondContact O-CD 3.28Å; T65-K110 PolarHBondContact O-NZ 3.49Å; D106-K110 WeakPolarHBondContact O-CA 3.4Å; D106-K110 PolarHBondContact O-N 3.45Å; T108-K110 VanDerWaalsContact C-N 3.25Å; T108-K110 PolarHBondContact O-N 3.09Å
111	Q	94.5	Very high	95.5	Very high	50 Å²	50	43.4 Å²	43.4	23%	0.234	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149	-171.6	178.1	175	87.2	0	0	111.8	T61 C62 N63 D106 L109 L113	T61-Q111 HydrophobicContact CG2-CG 3.87Å; C62-Q111 CarbonylContact O-C 3.58Å; C62-Q111 VanDerWaalsContact O-CA 3.3Å; C62-Q111 WeakPolarHBondContact O-CA 3.18Å; N63-Q111 VanDerWaalsContact OD1-CG 3.24Å; N63-Q111 WeakPolarHBondContact OD1-CG 3.33Å; N63-Q111 PolarHBondContact OD1-NE2 3.42Å; D106-Q111 PolarHBondContact N-O 3.47Å; D106-Q111 PolarHBondContact O-N 3.01Å; L109-Q111 VanDerWaalsContact C-N 3.31Å; L109-Q111 HydrophobicContact CB-CB 4.31Å; L109-Q111 PolarHBondContact O-N 3.34Å; Q111-L113 HydrophobicContact CG-CD2 4.18Å; Q111-L113 HydrophobicContact CG-CG 4.48Å
112	S	95.4	Very high	95.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.6	161.7	176.4	0	0	0	0	111.1	C62 L72 W74 V103 T104	C62-S112 PolarHBondContact N-O 2.96Å; C62-S112 PolarHBondContact O-N 2.79Å; L72-S112 WeakPolarHBondContact CD2-OG 3.46Å; W74-S112 PolarHBondContact NE1-OG 2.9Å; V103-S112 WeakPolarHBondContact CG1-OG 3.42Å; T104-S112 WeakPolarHBondContact O-CA 3.26Å; T104-S112 VanDerWaalsContact O-CB 3.28Å; T104-S112 WeakPolarHBondContact O-CB 3.24Å; T104-S112 PolarHBondContact O-OG 3.15Å
113	L	96.3	Very high	95.3	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	173.5	-53.3	171.7	0	0	0	109.5	T59 L60 T61 V103 T104 Q111	T59-L113 HydrophobicContact CG2-CB 4.46Å; T59-L113 HydrophobicContact CG2-CD2 4.4Å; L60-L113 CarbonylContact O-C 3.57Å; L60-L113 WeakPolarHBondContact O-CA 3.41Å; T61-L113 HydrophobicContact CG2-CD2 3.85Å; T61-L113 VanDerWaalsContact OG1-CD2 3.28Å; T61-L113 WeakPolarHBondContact OG1-CD2 3.47Å; V103-L113 CarbonylContact C-O 3.57Å; V103-L113 VanDerWaalsContact CA-O 3.26Å; V103-L113 WeakPolarHBondContact CA-O 3.36Å; T104-L113 PolarHBondContact N-O 2.73Å; T104-L113 PolarHBondContact O-N 2.74Å; T104-L113 VanDerWaalsContact O-N 3.15Å; T104-L113 WeakPolarHBondContact OG1-CB 3.35Å; Q111-L113 HydrophobicContact CG-CD2 4.18Å; Q111-L113 HydrophobicContact CG-CG 4.48Å
114	F	96.9	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.4	173.6	-177.7	-89	0	0	0	109.7	T59 L60 W74 L86 L101 V103 I116 Y127	T59-F114 CarbonylContact C-O 3.55Å; T59-F114 WeakPolarHBondContact CA-O 3.3Å; L60-F114 HydrophobicContact CB-CB 4.41Å; L60-F114 HydrophobicContact CD1-CD1 3.72Å; L60-F114 HydrophobicContact CD1-CE1 4.43Å; L60-F114 PolarHBondContact N-O 3.48Å; L60-F114 PolarHBondContact O-N 2.8Å; W74-F114 HydrophobicContact CB-CD2 3.63Å; W74-F114 HydrophobicContact CB-CE2 3.8Å; W74-F114 AromaticContact CD1-CD2 3.73Å; W74-F114 HydrophobicContact CD2-CB 3.54Å; W74-F114 AromaticContact CD2-CD2 3.64Å; W74-F114 HydrophobicContact CD2-CD2 3.64Å; W74-F114 AromaticContact CD2-CG 3.76Å; W74-F114 HydrophobicContact CD2-CG 3.76Å; W74-F114 HydrophobicContact CE3-CB 3.82Å; W74-F114 HydrophobicContact CE3-CD2 4.17Å; W74-F114 AromaticContact CE3-CG 3.96Å; W74-F114 HydrophobicContact CE3-CG 3.96Å; W74-F114 HydrophobicContact CG-CB 4.14Å; W74-F114 AromaticContact CG-CD2 3.36Å; W74-F114 HydrophobicContact CG-CD2 3.36Å; W74-F114 HydrophobicContact CG-CE2 4.06Å; W74-F114 HydrophobicContact CG-CG 4.02Å; W74-F114 HydrophobicContact CH2-CB 3.77Å; W74-F114 HydrophobicContact CZ2-CB 3.51Å; W74-F114 HydrophobicContact CZ3-CB 3.93Å; W74-F114 HydrophobicContact CZ3-CG 4.44Å; L86-F114 HydrophobicContact CB-CE2 4.43Å; L86-F114 HydrophobicContact CD1-CE1 4.27Å; L86-F114 HydrophobicContact CD1-CE2 4.05Å; L86-F114 HydrophobicContact CD1-CZ 3.53Å; L101-F114 HydrophobicContact CB-CE2 4.35Å; L101-F114 HydrophobicContact CB-CZ 4.19Å; L101-F114 HydrophobicContact CD1-CE2 4.43Å; L101-F114 HydrophobicContact CD1-CZ 3.98Å; L101-F114 HydrophobicContact CD2-CE1 4.21Å; L101-F114 HydrophobicContact CD2-CZ 3.76Å; L101-F114 HydrophobicContact CG-CZ 4.18Å; V103-F114 HydrophobicContact CG2-CB 4.45Å; V103-F114 HydrophobicContact CG2-CD2 3.35Å; V103-F114 HydrophobicContact CG2-CE2 3.96Å; V103-F114 HydrophobicContact CG2-CG 4.29Å; F114-I116 HydrophobicContact CD1-CG1 4.1Å; F114-I116 HydrophobicContact CE1-CD1 3.91Å; F114-I116 HydrophobicContact CE1-CG1 3.53Å; F114-I116 HydrophobicContact CZ-CG1 4.44Å; F114-Y127 HydrophobicContact CD1-CD1 4.4Å; F114-Y127 AromaticContact CE1-CD1 3.8Å; F114-Y127 HydrophobicContact CE1-CD1 3.8Å; F114-Y127 AromaticContact CE1-CE1 3.8Å; F114-Y127 HydrophobicContact CE1-CE1 3.8Å; F114-Y127 HydrophobicContact CZ-CD1 4.36Å; F114-Y127 HydrophobicContact CZ-CE1 4.28Å
115	H	96.7	Very high	95.1	Very high	26 Å²	26	48.5 Å²	48.5	12%	0.12	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138	-178.4	-50.7	-84.7	0	0	0	111	T57 A58 T59 L101 K102	T57-H115 HydrophobicContact CG2-CB 4.08Å; A58-H115 CarbonylContact O-C 3.56Å; A58-H115 VanDerWaalsContact O-CA 3.24Å; A58-H115 WeakPolarHBondContact O-CA 3.46Å; T59-H115 VanDerWaalsContact CG2-CE1 3.47Å; T59-H115 WeakPolarHBondContact CG2-CE1 3.35Å; T59-H115 WeakPolarHBondContact CG2-ND1 3.27Å; T59-H115 PolarHBondContact OG1-ND1 2.83Å; L101-H115 CarbonylContact C-O 3.53Å; L101-H115 WeakPolarHBondContact CA-O 3.35Å; K102-H115 HydrophobicContact CB-CB 4.21Å; K102-H115 VanDerWaalsContact CE-CD2 3.48Å; K102-H115 WeakPolarHBondContact CE-CD2 3.43Å; K102-H115 PolarHBondContact N-O 2.88Å; K102-H115 PolarHBondContact O-N 2.72Å
116	I	96.9	Very high	95	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.1	168.3	-50.4	174.7	0	0	0	106.7	T57 A58 R100 L101 F114 S119 D123 Y127	T57-I116 VanDerWaalsContact CA-O 3.28Å; T57-I116 WeakPolarHBondContact CA-O 3.29Å; A58-I116 HydrophobicContact CB-CB 4.29Å; A58-I116 PolarHBondContact N-O 2.98Å; A58-I116 PolarHBondContact O-N 3.48Å; R100-I116 WeakPolarHBondContact O-CA 3.47Å; L101-I116 HydrophobicContact CD2-CB 4.44Å; L101-I116 HydrophobicContact CD2-CG1 3.92Å; L101-I116 HydrophobicContact CD2-CG2 4.2Å; F114-I116 HydrophobicContact CD1-CG1 4.1Å; F114-I116 HydrophobicContact CE1-CD1 3.91Å; F114-I116 HydrophobicContact CE1-CG1 3.53Å; F114-I116 HydrophobicContact CZ-CG1 4.44Å; I116-S119 PolarHBondContact O-OG 2.92Å; I116-D123 HydrophobicContact CD1-CB 4.4Å; I116-Y127 HydrophobicContact CD1-CE1 3.83Å; I116-Y127 HydrophobicContact CD1-CE2 4.06Å; I116-Y127 VanDerWaalsContact CD1-CZ 3.47Å; I116-Y127 VanDerWaalsContact CD1-OH 3.29Å; I116-Y127 WeakPolarHBondContact CD1-OH 3.37Å
117	T	96.7	Very high	95.1	Very high	35 Å²	35	50.9 Å²	50.9	22%	0.215	30%	0.304	C	S	.	.	S	Bend	trans	-80.5	145	177.5	59.8	0	0	0	0	110.5	T57 R100	T57-T117 HydrophobicContact CG2-CG2 4.44Å; R100-T117 WeakPolarHBondContact CA-OG1 3.48Å; R100-T117 WeakPolarHBondContact CB-O 3.48Å; R100-T117 PolarHBondContact NH1-O 2.86Å; R100-T117 PolarHBondContact O-N 2.81Å; R100-T117 PolarHBondContact O-OG1 3.21Å; R100-T117 VanDerWaalsContact O-OG1 3.13Å
118	A	96.5	Very high	95.3	Very high	49 Å²	49	51.7 Å²	51.7	41%	0.405	31%	0.307	S	S	.	.	S	Bend	trans	50.9	59.5	-177.3	0	0	0	0	0	111.3	G55 R100	G55-A118 WeakPolarHBondContact O-CA 3.38Å; R100-A118 PolarHBondContact NH1-O 2.91Å
119	S	95.5	Very high	95.4	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.07	28%	0.277	C	S	.	.			trans	-58.4	139.2	-177.4	-53.6	0	0	0	0	110.6	E54 G55 K56 A58 I116 D123	E54-S119 CarbonylContact C-O 3.57Å; E54-S119 WeakPolarHBondContact CA-O 3.44Å; E54-S119 WeakPolarHBondContact CG-O 3.14Å; G55-S119 PolarHBondContact N-O 3.06Å; K56-S119 VanDerWaalsContact O-CB 3.27Å; K56-S119 WeakPolarHBondContact O-CB 3.46Å; K56-S119 PolarHBondContact O-N 2.87Å; K56-S119 PolarHBondContact O-OG 2.89Å; A58-S119 PolarHBondContact N-OG 3.43Å; I116-S119 PolarHBondContact O-OG 2.92Å; S119-D123 WeakPolarHBondContact CA-OD2 3.43Å
120	Q	96.7	Very high	95.5	Very high	94 Å²	94	42.4 Å²	42.4	44%	0.439	26%	0.259	S	S	.	.			trans	-119.3	158.7	179.4	-63.2	175.7	13.2	0	0	109.8	A122 D123	Q120-A122 PolarHBondContact O-N 3.48Å; Q120-A122 VanDerWaalsContact O-N 3.08Å; Q120-D123 PolarHBondContact N-OD2 3.48Å; Q120-D123 WeakPolarHBondContact O-CB 3.5Å; Q120-D123 PolarHBondContact O-N 2.96Å
121	P	94.6	Very high	95.4	Very high	95 Å²	95	40.1 Å²	40.1	62%	0.617	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31.9	174.4	-28	35.8	0	0	0	113.5	D123 S124	P121-D123 PolarHBondContact O-N 2.9Å; P121-S124 WeakPolarHBondContact O-CB 3.33Å; P121-S124 PolarHBondContact O-N 2.98Å
122	A	95.1	Very high	94.9	Very high	65 Å²	65	43.3 Å²	43.3	54%	0.537	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.7	-13.4	176.1	0	0	0	0	0	114.5	R76 Q120 S124	R76-A122 VanDerWaalsContact CZ-O 3.28Å; R76-A122 PolarHBondContact NH1-O 3.02Å; R76-A122 PolarHBondContact NH2-O 2.89Å; Q120-A122 PolarHBondContact O-N 3.48Å; Q120-A122 VanDerWaalsContact O-N 3.08Å; A122-S124 VanDerWaalsContact C-N 3.29Å
123	D	95	Very high	94.9	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-83	-5.3	174.6	-60.1	-40.2	0	0	0	112.4	R100 I116 S119 Q120 P121 A125 Y127	R100-D123 IonicContact CZ-OD1 2.93Å; R100-D123 IonicContact CZ-OD2 2.74Å; R100-D123 IonicContact NH1-OD1 3.47Å; R100-D123 IonicContact NH1-OD2 3.91Å; R100-D123 PolarHBondContact NH1-OD2 2.86Å; R100-D123 IonicContact NH2-OD1 2.65Å; R100-D123 PolarHBondContact NH2-OD1 3.37Å; R100-D123 IonicContact NH2-OD2 3.49Å; R100-D123 PolarHBondContact NH2-OD2 3.06Å; I116-D123 HydrophobicContact CD1-CB 4.4Å; S119-D123 WeakPolarHBondContact CA-OD2 3.43Å; Q120-D123 PolarHBondContact N-OD2 3.48Å; Q120-D123 WeakPolarHBondContact O-CB 3.5Å; Q120-D123 PolarHBondContact O-N 2.96Å; P121-D123 PolarHBondContact O-N 2.9Å; D123-A125 PolarHBondContact O-N 2.91Å; D123-Y127 WeakPolarHBondContact O-CE2 3.46Å; D123-Y127 PolarHBondContact O-OH 2.8Å
124	S	94.6	Very high	94.8	Very high	102 Å²	102	45.7 Å²	45.7	71%	0.713	29%	0.286	S	S	*	.			trans	-66.4	106.4	177.8	-179.8	0	0	0	0	111.3	P121 A122	P121-S124 WeakPolarHBondContact O-CB 3.33Å; P121-S124 PolarHBondContact O-N 2.98Å; A122-S124 VanDerWaalsContact C-N 3.29Å
125	A	95	Very high	94.7	Very high	30 Å²	30	48.2 Å²	48.2	25%	0.248	30%	0.302	C	S	.	.	S	Bend	trans	-161.4	175	179.2	0	0	0	0	0	110.9	R76 D123 Y127	R76-A125 HydrophobicContact CG-CB 3.68Å; D123-A125 PolarHBondContact O-N 2.91Å; A125-Y127 HydrophobicContact CB-CE2 4.05Å; A125-Y127 WeakPolarHBondContact O-CD2 3.02Å
126	T	94.8	Very high	94.6	Very high	79 Å²	79	49.5 Å²	49.5	49%	0.485	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136	166.2	-60.1	0	0	0	0	109.1	R76 Q77 L128	R76-T126 CarbonylContact C-O 3.58Å; Q77-T126 PolarHBondContact N-O 3Å; Q77-T126 PolarHBondContact O-N 2.94Å; T126-L128 HydrophobicContact CG2-CD2 3.89Å; T126-L128 HydrophobicContact CG2-CG 4.34Å
127	Y	95.4	Very high	94.4	Very high	23 Å²	23	52.4 Å²	52.4	9%	0.09	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.8	178.3	-71.2	-97.2	0	0	0	110.1	Q45 L60 Y75 R76 L86 F114 I116 D123 A125	Q45-Y127 PolarHBondContact NE2-O 3.49Å; L60-Y127 HydrophobicContact CD1-CD2 4.3Å; L60-Y127 HydrophobicContact CD1-CG 4.13Å; L60-Y127 HydrophobicContact CD2-CD2 4.47Å; L60-Y127 HydrophobicContact CD2-CG 4.41Å; Y75-Y127 CarbonylContact O-C 3.55Å; Y75-Y127 VanDerWaalsContact O-CA 3.3Å; Y75-Y127 WeakPolarHBondContact O-CA 3.49Å; R76-Y127 HydrophobicContact CB-CD1 4.44Å; R76-Y127 HydrophobicContact CB-CE1 4.2Å; R76-Y127 HydrophobicContact CG-CE1 4.47Å; L86-Y127 HydrophobicContact CD1-CD1 3.73Å; L86-Y127 HydrophobicContact CD1-CE1 3.64Å; F114-Y127 HydrophobicContact CD1-CD1 4.4Å; F114-Y127 AromaticContact CE1-CD1 3.8Å; F114-Y127 HydrophobicContact CE1-CD1 3.8Å; F114-Y127 AromaticContact CE1-CE1 3.8Å; F114-Y127 HydrophobicContact CE1-CE1 3.8Å; F114-Y127 HydrophobicContact CZ-CD1 4.36Å; F114-Y127 HydrophobicContact CZ-CE1 4.28Å; I116-Y127 HydrophobicContact CD1-CE1 3.83Å; I116-Y127 HydrophobicContact CD1-CE2 4.06Å; I116-Y127 VanDerWaalsContact CD1-CZ 3.47Å; I116-Y127 VanDerWaalsContact CD1-OH 3.29Å; I116-Y127 WeakPolarHBondContact CD1-OH 3.37Å; D123-Y127 WeakPolarHBondContact O-CE2 3.46Å; D123-Y127 PolarHBondContact O-OH 2.8Å; A125-Y127 HydrophobicContact CB-CE2 4.05Å; A125-Y127 WeakPolarHBondContact O-CD2 3.02Å
128	L	95.1	Very high	94.3	Very high	53 Å²	53	53.5 Å²	53.5	28%	0.277	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.7	-173.6	-55.5	172	0	0	0	109.7	W74 Y75 Q77 P83 T126	W74-L128 WeakPolarHBondContact CA-O 3.48Å; Y75-L128 PolarHBondContact N-O 2.87Å; Y75-L128 PolarHBondContact O-N 2.78Å; Q77-L128 HydrophobicContact CB-CD1 4.36Å; P83-L128 HydrophobicContact CB-CD1 4.35Å; P83-L128 HydrophobicContact CG-CD1 4Å; T126-L128 HydrophobicContact CG2-CD2 3.89Å; T126-L128 HydrophobicContact CG2-CG 4.34Å
129	C	95.3	Very high	94.1	Very high	11 Å²	11	53.9 Å²	53.9	7%	0.074	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.1	167.9	67.6	0	0	0	0	110.8	I43 Q45 C62 Q73 W74	I43-C129 WeakPolarHBondContact CG2-SG 3.15Å; Q45-C129 WeakPolarHBondContact CG-SG 3.28Å; C62-C129 HydrophobicContact CB-CB 3.63Å; C62-C129 WeakPolarHBondContact CB-SG 3.49Å; C62-C129 WeakPolarHBondContact SG-CB 3.35Å; C62-C129 CovalentContact SG-SG 2.04Å; C62-C129 PolarHBondContact SG-SG 2.86Å; Q73-C129 CarbonylContact O-C 3.57Å; Q73-C129 VanDerWaalsContact O-CA 3.28Å; Q73-C129 WeakPolarHBondContact O-CA 3.38Å; W74-C129 HydrophobicContact CD2-CB 4.21Å; W74-C129 HydrophobicContact CE3-CB 4.18Å; W74-C129 HydrophobicContact CH2-CB 4.17Å; W74-C129 HydrophobicContact CZ2-CB 4.15Å; W74-C129 HydrophobicContact CZ3-CB 4.17Å
130	A	94.1	Very high	94	Very high	32 Å²	32	57.2 Å²	57.2	26%	0.264	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.1	173.2	0	0	0	0	0	109.9	Q73 Y75	Q73-A130 HydrophobicContact CB-CB 4.45Å; Q73-A130 PolarHBondContact N-O 2.81Å; Q73-A130 PolarHBondContact O-N 3.1Å; Y75-A130 HydrophobicContact CE2-CB 4.07Å
131	L	91.9	Very high	93.8	Very high	25 Å²	25	54.2 Å²	54.2	13%	0.131	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.1	-176.7	-54.7	-179.8	0	0	0	108.5	Q41 I43 Y64 P69 L72	Q41-L131 VanDerWaalsContact CD-CD1 3.43Å; Q41-L131 HydrophobicContact CG-CD1 4.29Å; I43-L131 HydrophobicContact CD1-CB 4.38Å; I43-L131 HydrophobicContact CD1-CD1 3.79Å; I43-L131 HydrophobicContact CD1-CG 3.75Å; I43-L131 HydrophobicContact CG1-CD1 3.63Å; I43-L131 HydrophobicContact CG1-CG 4.17Å; Y64-L131 VanDerWaalsContact CB-CD1 3.45Å; Y64-L131 HydrophobicContact CD1-CD1 4.16Å; Y64-L131 HydrophobicContact CG-CD1 3.89Å; P69-L131 HydrophobicContact CB-CB 3.99Å; P69-L131 HydrophobicContact CG-CB 4.09Å; P69-L131 HydrophobicContact CG-CD1 4.35Å; P69-L131 HydrophobicContact CG-CD2 3.84Å; P69-L131 HydrophobicContact CG-CG 4.29Å; L72-L131 HydrophobicContact CB-CD2 4.14Å; L72-L131 HydrophobicContact CD1-CD2 3.35Å; L72-L131 HydrophobicContact CG-CD2 3.61Å
132	D	84.2	Confident	93.7	Very high	116 Å²	116	50.5 Å²	50.5	62%	0.62	32%	0.322	S	S	*	.			trans	-130.3	0	174.7	-164.4	11.7	0	0	0	109.2	P69 A70 Y71	P69-D132 CarbonylContact C-O 3.6Å; P69-D132 WeakPolarHBondContact CB-O 3.46Å; A70-D132 PolarHBondContact N-O 3.49Å; Y71-D132 HydrophobicContact CD2-CB 4.41Å; Y71-D132 PolarHBondContact N-O 2.94Å; Y71-D132 PolarHBondContact O-N 2.04Å

Retrieved 132 of 132 residues in 65.7 ms (Link to these results)

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