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T cell receptor alpha variable 26-1

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 A0A087WT03, Species HUMAN (Homo sapiens, Human), Gene TRAV26-1, Length 109 aa.

						>TVAZ1_HUMAN|A0A087WT03|TRAV26-1
MRLVARVTVFLTFGTIIDAKTTQPTSMDCAEGRAANLPCNHSTISGNEYVYWYRQIHSQGPQYIIHGLKNNETNEMASLIITEDRKSSTLILPHATLRDTAVYYCIVRV
					

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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	49.2	Very low	69.5	Low	232 Å²	232	158.5 Å²	158.5	100%	1.143	80%	0.802	S	S	*	*				0	111.3	0	-77.6	156.6	56.3	0	0	108.6
2	R	59.4	Low	69.8	Low	249 Å²	249	156 Å²	156	94%	0.94	80%	0.801	S	S	*	*			trans	-100.2	113.8	170.1	-74.4	-167.8	175.3	-167	-0.4	107.8	V4	R2-V4 PolarHBondContact O-N 3.32Å
3	L	57.5	Low	69.6	Low	165 Å²	165	159.3 Å²	159.3	86%	0.864	81%	0.807	S	S	*	*			trans	-81.2	101.8	176.7	-131.7	136.8	0	0	0	106.9	A5	L3-A5 PolarHBondContact O-N 3.31Å
4	V	67.9	Low	69.3	Low	127 Å²	127	152.6 Å²	152.6	77%	0.77	80%	0.798	S	S	*	*			trans	-80.9	105.3	175	-174.7	0	0	0	0	107	R2 R6	R2-V4 PolarHBondContact O-N 3.32Å; V4-R6 PolarHBondContact O-N 3.35Å
5	A	75	Confident	69	Low	80 Å²	80	150.7 Å²	150.7	66%	0.661	80%	0.795	S	S	*	*			trans	-68.4	120.1	171.2	0	0	0	0	0	108.9	L3	L3-A5 PolarHBondContact O-N 3.31Å
6	R	77.5	Confident	68.7	Low	237 Å²	237	151.6 Å²	151.6	89%	0.894	80%	0.798	S	S	*	*			trans	-78.2	117.7	169	-87	-177.5	170.3	172.6	-3	108.5	V4	V4-R6 PolarHBondContact O-N 3.35Å
7	V	80.1	Confident	68.3	Low	128 Å²	128	151.1 Å²	151.1	78%	0.776	79%	0.794	S	S	*	*			trans	-90.6	111.8	169.7	-179.5	0	0	0	0	107.6	V9	V7-V9 HydrophobicContact CG1-CG2 4.09Å
8	T	77.2	Confident	68.2	Low	100 Å²	100	151.1 Å²	151.1	61%	0.613	80%	0.795	S	S	*	*			trans	-96.1	110.6	173.4	-53.7	0	0	0	0	108.5	F10	T8-F10 HydrophobicContact CG2-CD2 4.27Å; T8-F10 HydrophobicContact CG2-CE1 4.38Å; T8-F10 HydrophobicContact CG2-CE2 3.81Å; T8-F10 HydrophobicContact CG2-CZ 3.87Å
9	V	79.2	Confident	68.4	Low	107 Å²	107	146.3 Å²	146.3	65%	0.648	78%	0.78	S	S	*	*			trans	-92.2	111.4	175.2	-177.8	0	0	0	0	108.1	V7 L11	V7-V9 HydrophobicContact CG1-CG2 4.09Å; V9-L11 HydrophobicContact CG1-CD2 4.33Å; V9-L11 HydrophobicContact CG1-CG 4.27Å; V9-L11 PolarHBondContact O-N 3.34Å
10	F	72.7	Confident	69.1	Low	179 Å²	179	143.3 Å²	143.3	79%	0.785	76%	0.759	S	S	*	*			trans	-84	98.1	171.3	-69.1	-82.4	0	0	0	109	T8 T12	T8-F10 HydrophobicContact CG2-CD2 4.27Å; T8-F10 HydrophobicContact CG2-CE1 4.38Å; T8-F10 HydrophobicContact CG2-CE2 3.81Å; T8-F10 HydrophobicContact CG2-CZ 3.87Å; F10-T12 PolarHBondContact O-N 3.13Å; F10-T12 VanDerWaalsContact O-N 3.13Å
11	L	69.2	Low	70.1	Confident	140 Å²	140	137.9 Å²	137.9	73%	0.733	73%	0.732	S	S	*	*			trans	-76	94.2	169.2	-68.7	167.6	0	0	0	108	V9 F13	V9-L11 HydrophobicContact CG1-CD2 4.33Å; V9-L11 HydrophobicContact CG1-CG 4.27Å; V9-L11 PolarHBondContact O-N 3.34Å; L11-F13 PolarHBondContact O-N 2.83Å; L11-F13 VanDerWaalsContact O-N 3.13Å
12	T	73	Confident	72.3	Confident	128 Å²	128	131.2 Å²	131.2	79%	0.785	70%	0.704	S	S	*	*			trans	-67.1	111.5	166.8	52.6	0	0	0	0	107.5	F10 G14	F10-T12 PolarHBondContact O-N 3.13Å; F10-T12 VanDerWaalsContact O-N 3.13Å; T12-G14 VanDerWaalsContact C-N 3.25Å; T12-G14 PolarHBondContact O-N 3.13Å
13	F	67.1	Low	74.1	Confident	199 Å²	199	122.1 Å²	122.1	87%	0.873	67%	0.672	S	S	*	*			trans	-61.9	92.2	166.9	-69	-86	0	0	0	107.7	L11 T15	L11-F13 PolarHBondContact O-N 2.83Å; L11-F13 VanDerWaalsContact O-N 3.13Å; F13-T15 PolarHBondContact O-N 3.15Å; F13-T15 VanDerWaalsContact O-N 3.15Å
14	G	65.9	Low	76	Confident	66 Å²	66	117.4 Å²	117.4	68%	0.68	65%	0.652	S	S	*	*			trans	-61.9	116.6	171	0	0	0	0	0	108	T12 I16	T12-G14 VanDerWaalsContact C-N 3.25Å; T12-G14 PolarHBondContact O-N 3.13Å; G14-I16 PolarHBondContact O-N 3.12Å; G14-I16 VanDerWaalsContact O-N 3.12Å
15	T	64.8	Low	77.2	Confident	123 Å²	123	118.5 Å²	118.5	76%	0.755	66%	0.659	S	S	*	*			trans	-64.9	110.5	166	49.4	0	0	0	0	107.3	F13 I17	F13-T15 PolarHBondContact O-N 3.15Å; F13-T15 VanDerWaalsContact O-N 3.15Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 PolarHBondContact O-N 2.99Å
16	I	63.9	Low	78.2	Confident	165 Å²	165	119.5 Å²	119.5	85%	0.846	66%	0.661	S	S	*	*			trans	-67	101.9	163.9	-57.5	173.1	0	0	0	104.6	G14 D18	G14-I16 PolarHBondContact O-N 3.12Å; G14-I16 VanDerWaalsContact O-N 3.12Å; I16-D18 PolarHBondContact O-N 3.42Å
17	I	62.1	Low	79.1	Confident	143 Å²	143	113 Å²	113	73%	0.733	64%	0.642	S	S	*	*			trans	-68.1	114.5	170.4	-62.1	172.8	0	0	0	105.2	T15 A19	T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 PolarHBondContact O-N 2.99Å; I17-A19 PolarHBondContact O-N 3.11Å; I17-A19 VanDerWaalsContact O-N 3.11Å
18	D	66.3	Low	79.8	Confident	151 Å²	151	114.9 Å²	114.9	81%	0.807	65%	0.647	S	S	*	*			trans	-68.2	107.7	172.9	-171.8	31	0	0	0	108.2	I16 K20	I16-D18 PolarHBondContact O-N 3.42Å; D18-K20 PolarHBondContact O-N 3.19Å
19	A	70.9	Confident	80.7	Confident	61 Å²	61	113 Å²	113	50%	0.504	64%	0.638	S	S	.	*			trans	-75	121	178.1	0	0	0	0	0	108.6	I17 T21	I17-A19 PolarHBondContact O-N 3.11Å; I17-A19 VanDerWaalsContact O-N 3.11Å; A19-T21 WeakPolarHBondContact CB-O 3.3Å; A19-T21 PolarHBondContact O-N 3.12Å; A19-T21 VanDerWaalsContact O-N 3.1Å
20	K	82.6	Confident	81.5	Confident	86 Å²	86	110.9 Å²	110.9	37%	0.374	63%	0.632	S	S	.	*	S	Bend	trans	-61.1	-21.6	178.8	-170.2	163.9	-175.4	171.4	0	113	D18 H41 S42 E48 V107	D18-K20 PolarHBondContact O-N 3.19Å; K20-H41 VanDerWaalsContact O-CA 3.3Å; K20-H41 WeakPolarHBondContact O-CA 3.12Å; K20-H41 WeakPolarHBondContact O-CB 3.45Å; K20-S42 WeakPolarHBondContact CE-OG 3.33Å; K20-S42 PolarHBondContact O-N 2.72Å; K20-E48 IonicContact NZ-OE1 2.97Å; K20-E48 PolarHBondContact NZ-OE1 3.43Å; K20-E48 IonicContact NZ-OE2 3.93Å; K20-E48 PolarHBondContact NZ-OE2 2.76Å; K20-V107 HydrophobicContact CD-CB 4.31Å; K20-V107 HydrophobicContact CD-CG1 4.4Å
21	T	91.7	Very high	82.6	Confident	30 Å²	30	108.7 Å²	108.7	18%	0.184	62%	0.624	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	148.9	179.5	63.5	0	0	0	0	111.1	A19 N40 H41 C105 V107	A19-T21 WeakPolarHBondContact CB-O 3.3Å; A19-T21 PolarHBondContact O-N 3.12Å; A19-T21 VanDerWaalsContact O-N 3.1Å; T21-N40 CarbonylContact C-O 3.57Å; T21-N40 VanDerWaalsContact CA-O 3.23Å; T21-N40 WeakPolarHBondContact CA-O 3.47Å; T21-H41 HydrophobicContact CG2-CB 4.08Å; T21-C105 PolarHBondContact OG1-O 3.14Å; T21-C105 VanDerWaalsContact OG1-O 3.04Å; T21-V107 HydrophobicContact CG2-CB 4.41Å; T21-V107 HydrophobicContact CG2-CG2 3.85Å
22	T	94.8	Very high	84	Confident	91 Å²	91	104 Å²	104	56%	0.558	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.6	127.3	175	-58.8	0	0	0	0	109.2	N40	T22-N40 PolarHBondContact N-O 3.02Å; T22-N40 PolarHBondContact O-N 3.42Å
23	Q	96.7	Very high	85.1	Confident	58 Å²	58	106.3 Å²	106.3	27%	0.271	60%	0.603	S	S	.	*			trans	-131	152.3	179.2	-63.4	177.1	-104.5	0	0	109.6	C39 Y103 C105	Q23-C39 HydrophobicContact CG-CB 4.24Å; Q23-Y103 PolarHBondContact NE2-O 2.86Å; Q23-C105 HydrophobicContact CG-CB 4.11Å
24	P	96.6	Very high	86.6	Confident	67 Å²	67	99 Å²	99	44%	0.435	58%	0.58	S	S	.	*			trans	-57.8	141.1	166.1	-21.6	33.7	0	0	0	110.9	S26 M27 P38	P24-S26 VanDerWaalsContact C-N 3.31Å; P24-S26 PolarHBondContact O-N 3.45Å; P24-M27 HydrophobicContact CB-CG 3.9Å; P24-M27 HydrophobicContact CB-SD 4.16Å; P24-M27 HydrophobicContact CG-CG 4.32Å; P24-M27 HydrophobicContact CG-SD 3.92Å; P24-P38 HydrophobicContact CG-CG 3.71Å
25	T	94.6	Very high	88.1	Confident	150 Å²	150	96.5 Å²	96.5	92%	0.92	55%	0.553	S	S	*	*	S	Bend	trans	-69.1	-29.7	-179.4	-51.2	0	0	0	0	112.9
26	S	96.2	Very high	89.7	Confident	100 Å²	100	94.6 Å²	94.6	70%	0.699	54%	0.538	S	S	*	.			trans	-152.1	148.9	178.2	58.6	0	0	0	0	110	P24	P24-S26 VanDerWaalsContact C-N 3.31Å; P24-S26 PolarHBondContact O-N 3.45Å
27	M	95.9	Very high	91.4	Very high	102 Å²	102	87.9 Å²	87.9	50%	0.502	50%	0.504	S	S	.	.			trans	-146.3	141.2	174.6	-64.6	-173.1	66.7	0	0	109.6	P24 N36 P38	P24-M27 HydrophobicContact CB-CG 3.9Å; P24-M27 HydrophobicContact CB-SD 4.16Å; P24-M27 HydrophobicContact CG-CG 4.32Å; P24-M27 HydrophobicContact CG-SD 3.92Å; M27-N36 WeakPolarHBondContact CE-O 3.49Å; M27-P38 WeakPolarHBondContact SD-CD 3.33Å; M27-P38 HydrophobicContact SD-CG 4.35Å
28	D	95.5	Very high	93.1	Very high	166 Å²	166	83.1 Å²	83.1	89%	0.888	48%	0.482	S	S	*	.			trans	-109.9	146.3	173.5	-61	-47.9	0	0	0	109.9
29	C	95.1	Very high	94.5	Very high	61 Å²	61	76 Å²	76	41%	0.412	44%	0.444	S	S	.	.			trans	-138.6	144	174.7	-171.7	0	0	0	0	109.4	A35 A95	C29-A35 HydrophobicContact CB-CB 3.94Å; C29-A95 HydrophobicContact CB-CB 4.47Å
30	A	96.3	Very high	95.7	Very high	63 Å²	63	77.3 Å²	77.3	52%	0.521	44%	0.443	S	S	.	.			trans	-71.5	139.1	173.7	0	0	0	0	0	110.6	G32 R33	A30-G32 PolarHBondContact O-N 3.28Å; A30-R33 HydrophobicContact CB-CB 4.44Å; A30-R33 HydrophobicContact CB-CG 3.89Å; A30-R33 VanDerWaalsContact O-CB 3.3Å; A30-R33 WeakPolarHBondContact O-CB 3.42Å; A30-R33 PolarHBondContact O-N 2.86Å
31	E	96.2	Very high	96	Very high	132 Å²	132	73.9 Å²	73.9	62%	0.617	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	138.1	177.4	-174.7	162.9	-142.6	0	0	111.6	R33 A95	E31-R33 PolarHBondContact O-N 3.41Å; E31-A95 CarbonylContact C-O 3.4Å; E31-A95 WeakPolarHBondContact CA-O 3.31Å
32	G	97.3	Very high	95.7	Very high	41 Å²	41	75.5 Å²	75.5	42%	0.423	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-6.1	-175.8	0	0	0	0	0	115	A30 H94 A95	A30-G32 PolarHBondContact O-N 3.28Å; G32-H94 PolarHBondContact O-ND1 2.85Å; G32-A95 PolarHBondContact N-O 3.41Å
33	R	97.6	Very high	95	Very high	177 Å²	177	74.7 Å²	74.7	67%	0.668	44%	0.436	S	S	*	.	S	Bend	trans	-92.1	162.3	175.1	-59.8	-60.6	-174.5	165.5	-1.1	111.8	A30 E31 A35 A95	A30-R33 HydrophobicContact CB-CB 4.44Å; A30-R33 HydrophobicContact CB-CG 3.89Å; A30-R33 VanDerWaalsContact O-CB 3.3Å; A30-R33 WeakPolarHBondContact O-CB 3.42Å; A30-R33 PolarHBondContact O-N 2.86Å; E31-R33 PolarHBondContact O-N 3.41Å; R33-A35 PolarHBondContact O-N 2.8Å; R33-A95 WeakPolarHBondContact O-CB 3.09Å; R33-A95 PolarHBondContact O-N 3.46Å
34	A	97.9	Very high	94	Very high	46 Å²	46	72.1 Å²	72.1	38%	0.38	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-72.8	124.1	174.7	0	0	0	0	0	110.5	I91 L92 P93	A34-I91 HydrophobicContact CB-CG2 4.36Å; A34-L92 CarbonylContact C-O 3.52Å; A34-L92 WeakPolarHBondContact CA-O 3.45Å; A34-P93 WeakPolarHBondContact CA-O 3.49Å; A34-P93 PolarHBondContact N-O 2.95Å
35	A	98	Very high	93.1	Very high	14 Å²	14	72.9 Å²	72.9	12%	0.116	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.9	170.1	0	0	0	0	0	109.3	C29 R33 L37 I91 L92 A95	C29-A35 HydrophobicContact CB-CB 3.94Å; R33-A35 PolarHBondContact O-N 2.8Å; A35-L37 HydrophobicContact CB-CD1 3.96Å; A35-I91 WeakPolarHBondContact O-CA 3.36Å; A35-L92 HydrophobicContact CB-CB 4.26Å; A35-L92 HydrophobicContact CB-CD1 4.44Å; A35-L92 PolarHBondContact N-O 3.03Å; A35-L92 PolarHBondContact O-N 3.21Å; A35-A95 HydrophobicContact CB-CB 3.99Å
36	N	98.1	Very high	92.6	Very high	82 Å²	82	68.1 Å²	68.1	44%	0.439	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	105.5	179.6	-59.1	-69.1	0	0	0	108.9	M27 P38 T89 I91	M27-N36 WeakPolarHBondContact CE-O 3.49Å; N36-P38 WeakPolarHBondContact O-CD 3.46Å; N36-T89 HydrophobicContact CB-CG2 3.94Å; N36-I91 WeakPolarHBondContact OD1-CG1 3.08Å
37	L	98.3	Very high	92.2	Very high	25 Å²	25	69 Å²	69	13%	0.131	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	105.9	-177	-64.3	81.9	0	0	0	108.9	A35 W52 T89 L90 L92 Y103	A35-L37 HydrophobicContact CB-CD1 3.96Å; L37-W52 HydrophobicContact CB-CH2 3.77Å; L37-W52 HydrophobicContact CB-CZ3 4.09Å; L37-W52 HydrophobicContact CD2-CZ3 4.33Å; L37-W52 WeakPolarHBondContact O-CH2 3.34Å; L37-W52 WeakPolarHBondContact O-CZ2 3.5Å; L37-T89 WeakPolarHBondContact O-CA 2.99Å; L37-L90 HydrophobicContact CB-CB 4.28Å; L37-L90 PolarHBondContact N-O 2.81Å; L37-L90 PolarHBondContact O-N 3.1Å; L37-L92 HydrophobicContact CD1-CD1 4.23Å; L37-L92 HydrophobicContact CD1-CG 4.32Å; L37-Y103 VanDerWaalsContact CD2-CB 3.5Å; L37-Y103 HydrophobicContact CD2-CD1 4.03Å; L37-Y103 HydrophobicContact CD2-CD2 3.65Å; L37-Y103 HydrophobicContact CD2-CE2 4.38Å; L37-Y103 HydrophobicContact CD2-CG 3.46Å; L37-Y103 VanDerWaalsContact CD2-CG 3.46Å
38	P	98	Very high	92	Very high	43 Å²	43	65.1 Å²	65.1	28%	0.279	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	146.8	-178.8	32.9	-32.8	0	0	0	111	P24 M27 N36	P24-P38 HydrophobicContact CG-CG 3.71Å; M27-P38 WeakPolarHBondContact SD-CD 3.33Å; M27-P38 HydrophobicContact SD-CG 4.35Å; N36-P38 WeakPolarHBondContact O-CD 3.46Å
39	C	97.2	Very high	91.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	118.3	171.1	174.9	0	0	0	0	109.2	Q23 W52 S87 S88 C105	Q23-C39 HydrophobicContact CG-CB 4.24Å; C39-W52 HydrophobicContact CB-CH2 4.01Å; C39-W52 HydrophobicContact CB-CZ2 3.47Å; C39-W52 VanDerWaalsContact CB-CZ2 3.47Å; C39-S87 CarbonylContact O-C 3.45Å; C39-S87 VanDerWaalsContact O-CA 3.25Å; C39-S87 WeakPolarHBondContact O-CA 3.05Å; C39-S87 WeakPolarHBondContact O-CB 3.27Å; C39-S88 PolarHBondContact N-O 3.23Å; C39-S88 PolarHBondContact O-N 2.88Å; C39-C105 HydrophobicContact CB-CB 3.48Å; C39-C105 VanDerWaalsContact CB-CB 3.48Å; C39-C105 WeakPolarHBondContact CB-SG 3.05Å; C39-C105 WeakPolarHBondContact SG-CB 3.17Å; C39-C105 CovalentContact SG-SG 2.02Å; C39-C105 PolarHBondContact SG-SG 2.93Å
40	N	95.6	Very high	91.9	Very high	89 Å²	89	57.9 Å²	57.9	48%	0.476	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.1	171.6	-65.2	-39	0	0	0	109.3	T21 T22 S87	T21-N40 CarbonylContact C-O 3.57Å; T21-N40 VanDerWaalsContact CA-O 3.23Å; T21-N40 WeakPolarHBondContact CA-O 3.47Å; T22-N40 PolarHBondContact N-O 3.02Å; T22-N40 PolarHBondContact O-N 3.42Å; N40-S87 VanDerWaalsContact OD1-CB 3.22Å; N40-S87 WeakPolarHBondContact OD1-CB 3.32Å
41	H	89.6	Confident	91.9	Very high	14 Å²	14	56.2 Å²	56.2	7%	0.065	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161.1	177.9	42.9	68.9	0	0	0	110.6	K20 T21 I44 R85 K86 S87 V107	K20-H41 VanDerWaalsContact O-CA 3.3Å; K20-H41 WeakPolarHBondContact O-CA 3.12Å; K20-H41 WeakPolarHBondContact O-CB 3.45Å; T21-H41 HydrophobicContact CG2-CB 4.08Å; H41-I44 WeakPolarHBondContact CE1-CD1 3.44Å; H41-I44 WeakPolarHBondContact ND1-CD1 3.23Å; H41-I44 WeakPolarHBondContact ND1-CG1 3.3Å; H41-R85 PolarHBondContact CE1-O 3.32Å; H41-R85 PolarHBondContact ND1-O 3.04Å; H41-K86 PolarHBondContact N-O 2.62Å; H41-K86 PolarHBondContact ND1-O 3.31Å; H41-K86 CarbonylContact O-C 3.58Å; H41-K86 WeakPolarHBondContact O-CA 3.46Å; H41-S87 PolarHBondContact CE1-N 2.91Å; H41-V107 HydrophobicContact CB-CG2 3.85Å
42	S	85.4	Confident	92	Very high	64 Å²	64	49.9 Å²	49.9	45%	0.448	29%	0.292	S	S	.	.	S	Bend	trans	-54.3	153.1	166	60.4	0	0	0	0	110.1	K20 I44	K20-S42 WeakPolarHBondContact CE-OG 3.33Å; K20-S42 PolarHBondContact O-N 2.72Å; S42-I44 PolarHBondContact O-N 2.78Å
43	T	78.3	Confident	92	Very high	75 Å²	75	49.6 Å²	49.6	46%	0.46	28%	0.278	S	S	.	.			trans	-50.1	119.2	176.8	-65.8	0	0	0	0	110.4	S45 K86	T43-S45 PolarHBondContact O-N 2.8Å; T43-K86 WeakPolarHBondContact OG1-CE 3.39Å; T43-K86 VanDerWaalsContact OG1-CG 3.27Å; T43-K86 WeakPolarHBondContact OG1-CG 3.46Å
44	I	76.2	Confident	92	Very high	4 Å²	4	43 Å²	43	2%	0.021	25%	0.253	C	S	.	.			trans	-75.6	113.9	179.9	-56.4	-179.3	0	0	0	108.7	H41 S42 E48 V50 R85 V107	H41-I44 WeakPolarHBondContact CE1-CD1 3.44Å; H41-I44 WeakPolarHBondContact ND1-CD1 3.23Å; H41-I44 WeakPolarHBondContact ND1-CG1 3.3Å; S42-I44 PolarHBondContact O-N 2.78Å; I44-E48 HydrophobicContact CG2-CB 3.48Å; I44-E48 VanDerWaalsContact CG2-CB 3.48Å; I44-E48 HydrophobicContact CG2-CG 3.58Å; I44-E48 WeakPolarHBondContact CG2-O 3.45Å; I44-V50 HydrophobicContact CD1-CG2 3.22Å; I44-R85 HydrophobicContact CB-CB 4.3Å; I44-R85 PolarHBondContact N-O 3.28Å; I44-R85 VanDerWaalsContact N-O 3.15Å; I44-R85 PolarHBondContact O-NH1 3.21Å; I44-V107 HydrophobicContact CD1-CB 4.42Å; I44-V107 HydrophobicContact CD1-CG1 3.87Å; I44-V107 HydrophobicContact CD1-CG2 3.63Å; I44-V107 HydrophobicContact CG1-CG1 3.79Å; I44-V107 HydrophobicContact CG1-CG2 4.1Å; I44-V107 HydrophobicContact CG2-CG1 4.03Å
45	S	78.9	Confident	92	Very high	82 Å²	82	42.9 Å²	42.9	57%	0.573	25%	0.245	S	C	*	.			trans	-96.6	142.2	-174.8	71.3	0	0	0	0	112.1	T43 N47 E48	T43-S45 PolarHBondContact O-N 2.8Å; S45-N47 PolarHBondContact O-N 3.46Å; S45-E48 PolarHBondContact N-OE2 3.31Å; S45-E48 WeakPolarHBondContact O-CG 3.45Å; S45-E48 PolarHBondContact O-N 2.78Å
46	G	83.7	Confident	91.8	Very high	51 Å²	51	43.8 Å²	43.8	53%	0.526	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-124.4	177.1	0	0	0	0	0	113.6	R85	G46-R85 PolarHBondContact O-NH1 3.14Å; G46-R85 VanDerWaalsContact O-NH1 3.14Å
47	N	87.1	Confident	91.4	Very high	118 Å²	118	47.9 Å²	47.9	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	10.7	-171	-65.8	-15.7	0	0	0	114.4	S45 Y49	S45-N47 PolarHBondContact O-N 3.46Å; N47-Y49 WeakPolarHBondContact O-CD2 3.35Å; N47-Y49 VanDerWaalsContact O-CE2 3.28Å; N47-Y49 WeakPolarHBondContact O-CE2 3.3Å; N47-Y49 PolarHBondContact O-N 3.06Å
48	E	91.1	Very high	91	Very high	21 Å²	21	52.6 Å²	52.6	10%	0.098	30%	0.299	C	S	.	.			trans	-70.5	137.5	175.5	2.1	-179.9	58.7	0	0	111.2	K20 I44 S45 L68 R85 V107 R108 V109	K20-E48 IonicContact NZ-OE1 2.97Å; K20-E48 PolarHBondContact NZ-OE1 3.43Å; K20-E48 IonicContact NZ-OE2 3.93Å; K20-E48 PolarHBondContact NZ-OE2 2.76Å; I44-E48 HydrophobicContact CG2-CB 3.48Å; I44-E48 VanDerWaalsContact CG2-CB 3.48Å; I44-E48 HydrophobicContact CG2-CG 3.58Å; I44-E48 WeakPolarHBondContact CG2-O 3.45Å; S45-E48 PolarHBondContact N-OE2 3.31Å; S45-E48 WeakPolarHBondContact O-CG 3.45Å; S45-E48 PolarHBondContact O-N 2.78Å; E48-L68 WeakPolarHBondContact O-CD1 3.28Å; E48-R85 PolarHBondContact O-NH2 2.77Å; E48-V107 HydrophobicContact CB-CG1 3.93Å; E48-R108 CarbonylContact C-O 3.49Å; E48-R108 VanDerWaalsContact CA-O 3.3Å; E48-R108 WeakPolarHBondContact CA-O 2.96Å; E48-R108 WeakPolarHBondContact CB-O 2.94Å; E48-V109 HydrophobicContact CB-CG2 4.08Å; E48-V109 HydrophobicContact CG-CG2 3.96Å
49	Y	94.2	Very high	90.6	Very high	74 Å²	74	55 Å²	55	29%	0.29	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	148	179.8	-71.7	-101.2	0	0	0	110.1	N47 Y51 H66 G67 L68 V107 R108	N47-Y49 WeakPolarHBondContact O-CD2 3.35Å; N47-Y49 VanDerWaalsContact O-CE2 3.28Å; N47-Y49 WeakPolarHBondContact O-CE2 3.3Å; N47-Y49 PolarHBondContact O-N 3.06Å; Y49-Y51 VanDerWaalsContact CB-CE2 3.4Å; Y49-Y51 HydrophobicContact CG-CE2 4.4Å; Y49-H66 AromaticContact CD1-CD2 3.46Å; Y49-H66 VanDerWaalsContact CD1-CD2 3.46Å; Y49-H66 WeakPolarHBondContact CD1-CD2 3.36Å; Y49-H66 AromaticContact CE1-CD2 3.84Å; Y49-G67 WeakPolarHBondContact CA-O 3.41Å; Y49-L68 HydrophobicContact CD1-CB 3.74Å; Y49-L68 HydrophobicContact CD1-CD1 4.07Å; Y49-L68 HydrophobicContact CD2-CD1 3.85Å; Y49-L68 HydrophobicContact CE1-CB 3.6Å; Y49-L68 HydrophobicContact CE1-CD1 4.13Å; Y49-L68 HydrophobicContact CE1-CG 4.36Å; Y49-L68 HydrophobicContact CE2-CD1 3.83Å; Y49-L68 HydrophobicContact CG-CB 4.45Å; Y49-L68 HydrophobicContact CG-CD1 3.96Å; Y49-V107 WeakPolarHBondContact O-CA 3.46Å; Y49-R108 PolarHBondContact N-O 3.24Å; Y49-R108 PolarHBondContact O-N 2.77Å; Y49-R108 VanDerWaalsContact O-N 3.12Å
50	V	95.3	Very high	90.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.8	163	-176	0	0	0	0	107.5	I44 H66 G67 L79 S88 V107	I44-V50 HydrophobicContact CD1-CG2 3.22Å; V50-H66 CarbonylContact O-C 3.44Å; V50-H66 WeakPolarHBondContact O-CA 3.37Å; V50-H66 VanDerWaalsContact O-CB 3.27Å; V50-H66 WeakPolarHBondContact O-CB 3.49Å; V50-G67 PolarHBondContact N-O 2.91Å; V50-G67 PolarHBondContact O-N 2.92Å; V50-L79 HydrophobicContact CB-CD2 4.43Å; V50-S88 WeakPolarHBondContact CG1-OG 3.3Å; V50-V107 HydrophobicContact CG2-CG2 4.36Å
51	Y	96.6	Very high	90.5	Very high	28 Å²	28	56.8 Å²	56.8	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.8	172.7	-66.1	-96.5	0	0	0	110.1	Y49 Y53 Y63 H66 C105 I106 R108	Y49-Y51 VanDerWaalsContact CB-CE2 3.4Å; Y49-Y51 HydrophobicContact CG-CE2 4.4Å; Y51-Y53 HydrophobicContact CG-CE2 4.31Å; Y51-Y63 HydrophobicContact CD1-CD2 4.49Å; Y51-Y63 HydrophobicContact CD1-CE2 4.2Å; Y51-H66 HydrophobicContact CD1-CB 3.32Å; Y51-H66 AromaticContact CD1-CG 3.92Å; Y51-H66 HydrophobicContact CD2-CB 4.49Å; Y51-H66 HydrophobicContact CE1-CB 3.47Å; Y51-H66 VanDerWaalsContact CE1-CB 3.47Å; Y51-H66 AromaticContact CE1-CD2 3.96Å; Y51-H66 AromaticContact CE1-CG 3.56Å; Y51-H66 HydrophobicContact CG-CB 3.84Å; Y51-C105 WeakPolarHBondContact O-CA 3.28Å; Y51-I106 PolarHBondContact N-O 3.48Å; Y51-I106 PolarHBondContact O-N 2.94Å; Y51-R108 HydrophobicContact CD2-CG 3.58Å; Y51-R108 HydrophobicContact CE2-CG 3.38Å
52	W	98.2	Very high	90.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.3	170.1	-78.7	89.9	0	0	0	111.2	L37 C39 I64 I65 L90 Y104 C105	L37-W52 HydrophobicContact CB-CH2 3.77Å; L37-W52 HydrophobicContact CB-CZ3 4.09Å; L37-W52 HydrophobicContact CD2-CZ3 4.33Å; L37-W52 WeakPolarHBondContact O-CH2 3.34Å; L37-W52 WeakPolarHBondContact O-CZ2 3.5Å; C39-W52 HydrophobicContact CB-CH2 4.01Å; C39-W52 HydrophobicContact CB-CZ2 3.47Å; C39-W52 VanDerWaalsContact CB-CZ2 3.47Å; W52-I64 HydrophobicContact CB-CB 4.4Å; W52-I64 HydrophobicContact CB-CD1 4.41Å; W52-I64 PolarHBondContact O-N 3.05Å; W52-I65 HydrophobicContact CB-CG2 4.07Å; W52-I65 PolarHBondContact N-O 2.79Å; W52-L90 HydrophobicContact CB-CD1 4.18Å; W52-L90 HydrophobicContact CB-CD2 4.2Å; W52-L90 HydrophobicContact CD2-CB 3.61Å; W52-L90 HydrophobicContact CD2-CD1 4.48Å; W52-L90 HydrophobicContact CD2-CD2 3.83Å; W52-L90 HydrophobicContact CD2-CG 4.19Å; W52-L90 HydrophobicContact CE3-CB 4Å; W52-L90 HydrophobicContact CE3-CD2 3.64Å; W52-L90 HydrophobicContact CE3-CG 4.41Å; W52-L90 HydrophobicContact CG-CB 4.01Å; W52-L90 HydrophobicContact CG-CD1 4.08Å; W52-L90 HydrophobicContact CG-CD2 4.1Å; W52-L90 HydrophobicContact CG-CG 4.31Å; W52-L90 HydrophobicContact CH2-CB 4.11Å; W52-L90 HydrophobicContact CZ2-CB 3.76Å; W52-L90 HydrophobicContact CZ3-CB 4.24Å; W52-L90 HydrophobicContact CZ3-CD2 4.21Å; W52-Y104 WeakPolarHBondContact CA-O 3.46Å; W52-C105 HydrophobicContact CD2-CB 4.08Å; W52-C105 HydrophobicContact CE3-CB 4.15Å; W52-C105 HydrophobicContact CH2-CB 3.88Å; W52-C105 HydrophobicContact CZ2-CB 3.76Å; W52-C105 HydrophobicContact CZ3-CB 4.05Å
53	Y	97.7	Very high	91.4	Very high	34 Å²	34	62.1 Å²	62.1	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.4	175.9	-63	-94.8	0	0	0	110.5	Y51 P61 Q62 Y63 Y103 Y104 I106 R108	Y51-Y53 HydrophobicContact CG-CE2 4.31Å; Y53-P61 HydrophobicContact CD1-CB 4.29Å; Y53-P61 HydrophobicContact CG-CB 4.38Å; Y53-Q62 CarbonylContact C-O 3.48Å; Y53-Q62 WeakPolarHBondContact CA-O 3.14Å; Y53-Q62 WeakPolarHBondContact CB-O 3.35Å; Y53-Y63 HydrophobicContact CE1-CD2 4.33Å; Y53-Y103 CarbonylContact O-C 3.54Å; Y53-Y103 VanDerWaalsContact O-CA 3.31Å; Y53-Y103 WeakPolarHBondContact O-CA 3.01Å; Y53-Y104 PolarHBondContact N-O 2.68Å; Y53-Y104 PolarHBondContact O-N 2.76Å; Y53-I106 HydrophobicContact CD2-CD1 4.15Å; Y53-I106 HydrophobicContact CE2-CD1 4.25Å; Y53-R108 PolarHBondContact OH-NH2 3.24Å
54	R	97.2	Very high	92.3	Very high	39 Å²	39	58.9 Å²	58.9	15%	0.147	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.6	171.2	-172	179.3	63.2	-169.7	-2.8	109.7	I56 Q62 I64 D99 A101 V102 Y103	R54-I56 HydrophobicContact CG-CG1 4.28Å; R54-Q62 PolarHBondContact N-O 3.46Å; R54-Q62 WeakPolarHBondContact O-CB 3.47Å; R54-Q62 PolarHBondContact O-N 2.81Å; R54-I64 HydrophobicContact CB-CD1 3.75Å; R54-I64 HydrophobicContact CB-CG1 3.97Å; R54-D99 IonicContact NH1-OD1 2.62Å; R54-A101 HydrophobicContact CG-CB 3.47Å; R54-A101 VanDerWaalsContact CG-CB 3.47Å; R54-V102 CarbonylContact C-O 3.54Å; R54-V102 WeakPolarHBondContact CA-O 3.4Å; R54-Y103 HydrophobicContact CB-CD1 4.32Å; R54-Y103 HydrophobicContact CB-CE1 4.08Å; R54-Y103 WeakPolarHBondContact CD-OH 3.44Å; R54-Y103 HydrophobicContact CG-CD1 4.42Å; R54-Y103 HydrophobicContact CG-CE1 3.93Å; R54-Y103 HydrophobicContact CG-CE2 4.32Å
55	Q	97	Very high	93.4	Very high	44 Å²	44	58.9 Å²	58.9	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.2	171.8	-169.9	-179	10.5	0	0	110.1	Q59 A101 V102 Y104	Q55-Q59 WeakPolarHBondContact CG-O 3.22Å; Q55-Q59 PolarHBondContact NE2-O 3.1Å; Q55-A101 WeakPolarHBondContact O-CB 3.35Å; Q55-V102 PolarHBondContact N-O 2.78Å; Q55-V102 PolarHBondContact O-N 2.94Å; Q55-V102 VanDerWaalsContact O-N 3.1Å; Q55-Y104 HydrophobicContact CB-CD2 4.39Å; Q55-Y104 HydrophobicContact CB-CE2 3.68Å; Q55-Y104 VanDerWaalsContact OE1-CZ 3.32Å; Q55-Y104 PolarHBondContact OE1-OH 2.92Å
56	I	94.4	Very high	94.3	Very high	33 Å²	33	58.2 Å²	58.2	17%	0.169	31%	0.313	C	S	.	.			trans	-97	121.2	177	-59.7	172.2	0	0	0	108.5	R54 S58 Q59 A101	R54-I56 HydrophobicContact CG-CG1 4.28Å; I56-S58 PolarHBondContact O-N 2.02Å; I56-Q59 VanDerWaalsContact O-CB 3.3Å; I56-Q59 WeakPolarHBondContact O-CB 3.49Å; I56-Q59 WeakPolarHBondContact O-CG 3.25Å; I56-Q59 PolarHBondContact O-N 3.04Å; I56-Q59 VanDerWaalsContact O-N 3.12Å; I56-A101 HydrophobicContact CG1-CB 4.09Å
57	H	89.7	Confident	94.8	Very high	168 Å²	168	55.8 Å²	55.8	78%	0.778	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-133.2	178.7	-53.7	147.1	0	0	0	112.2	Q59	H57-Q59 VanDerWaalsContact C-N 3.29Å; H57-Q59 PolarHBondContact O-N 3.47Å
58	S	88.8	Confident	95.1	Very high	124 Å²	124	51.8 Å²	51.8	87%	0.867	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	12.3	-179.9	60	0	0	0	0	114.3	I56	I56-S58 PolarHBondContact O-N 2.02Å
59	Q	89.7	Confident	95	Very high	92 Å²	92	56.8 Å²	56.8	43%	0.43	29%	0.288	S	S	.	.	S	Bend	trans	-73.8	163.6	174.5	-62.4	179.2	61.3	0	0	110.5	Q55 I56 H57	Q55-Q59 WeakPolarHBondContact CG-O 3.22Å; Q55-Q59 PolarHBondContact NE2-O 3.1Å; I56-Q59 VanDerWaalsContact O-CB 3.3Å; I56-Q59 WeakPolarHBondContact O-CB 3.49Å; I56-Q59 WeakPolarHBondContact O-CG 3.25Å; I56-Q59 PolarHBondContact O-N 3.04Å; I56-Q59 VanDerWaalsContact O-N 3.12Å; H57-Q59 VanDerWaalsContact C-N 3.29Å; H57-Q59 PolarHBondContact O-N 3.47Å
60	G	94.5	Very high	95	Very high	49 Å²	49	58.9 Å²	58.9	51%	0.505	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-70.7	163.2	169.3	0	0	0	0	0	112.2	Q62	G60-Q62 PolarHBondContact O-N 2.81Å
61	P	96.2	Very high	95.1	Very high	78 Å²	78	63.1 Å²	63.1	51%	0.506	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-60	130.8	173.5	-22.3	33.6	0	0	0	112.1	Y53	Y53-P61 HydrophobicContact CD1-CB 4.29Å; Y53-P61 HydrophobicContact CG-CB 4.38Å
62	Q	97.1	Very high	95.1	Very high	72 Å²	72	65.6 Å²	65.6	34%	0.336	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.5	177.4	-65.3	175.2	-19.2	0	0	109.7	Y53 R54 G60	Y53-Q62 CarbonylContact C-O 3.48Å; Y53-Q62 WeakPolarHBondContact CA-O 3.14Å; Y53-Q62 WeakPolarHBondContact CB-O 3.35Å; R54-Q62 PolarHBondContact N-O 3.46Å; R54-Q62 WeakPolarHBondContact O-CB 3.47Å; R54-Q62 PolarHBondContact O-N 2.81Å; G60-Q62 PolarHBondContact O-N 2.81Å
63	Y	97.2	Very high	95.1	Very high	118 Å²	118	70.2 Å²	70.2	46%	0.463	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	139.5	179.2	168.2	-96.5	0	0	0	111.7	Y51 Y53 I65 H66	Y51-Y63 HydrophobicContact CD1-CD2 4.49Å; Y51-Y63 HydrophobicContact CD1-CE2 4.2Å; Y53-Y63 HydrophobicContact CE1-CD2 4.33Å; Y63-I65 WeakPolarHBondContact OH-CA 3.38Å; Y63-H66 HydrophobicContact CE2-CB 4.13Å; Y63-H66 AromaticContact CE2-ND1 3.6Å; Y63-H66 AromaticContact CZ-ND1 3.52Å; Y63-H66 PolarHBondContact OH-N 2.92Å; Y63-H66 PolarHBondContact OH-ND1 2.94Å
64	I	98	Very high	95.1	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-63.9	174.4	-53	174.7	0	0	0	110.3	W52 R54 N74 M76 A77 L90 Y103	W52-I64 HydrophobicContact CB-CB 4.4Å; W52-I64 HydrophobicContact CB-CD1 4.41Å; W52-I64 PolarHBondContact O-N 3.05Å; R54-I64 HydrophobicContact CB-CD1 3.75Å; R54-I64 HydrophobicContact CB-CG1 3.97Å; I64-N74 PolarHBondContact O-ND2 2.94Å; I64-M76 HydrophobicContact CG2-SD 4.02Å; I64-A77 HydrophobicContact CG2-CB 3.94Å; I64-L90 HydrophobicContact CD1-CD2 3.88Å; I64-L90 HydrophobicContact CG2-CD1 4.27Å; I64-Y103 HydrophobicContact CD1-CD1 3.53Å; I64-Y103 HydrophobicContact CD1-CE1 3.53Å
65	I	98.6	Very high	95.1	Very high	5 Å²	5	78.8 Å²	78.8	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	154.3	-170.2	-168.3	161.7	0	0	0	109.5	W52 Y63 E72 L79 L90	W52-I65 HydrophobicContact CB-CG2 4.07Å; W52-I65 PolarHBondContact N-O 2.79Å; Y63-I65 WeakPolarHBondContact OH-CA 3.38Å; I65-E72 HydrophobicContact CD1-CB 3.87Å; I65-E72 HydrophobicContact CG1-CB 4.19Å; I65-L79 HydrophobicContact CD1-CB 3.95Å; I65-L79 HydrophobicContact CG1-CB 4.19Å; I65-L79 HydrophobicContact CG2-CB 4.01Å; I65-L79 HydrophobicContact CG2-CD2 4.4Å; I65-L90 HydrophobicContact CG2-CD1 3.5Å; I65-L90 VanDerWaalsContact CG2-CD1 3.5Å
66	H	97.2	Very high	95	Very high	67 Å²	67	80.3 Å²	80.3	31%	0.31	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159	167.7	69.1	-78.5	0	0	0	110.6	Y49 V50 Y51 Y63 E72	Y49-H66 AromaticContact CD1-CD2 3.46Å; Y49-H66 VanDerWaalsContact CD1-CD2 3.46Å; Y49-H66 WeakPolarHBondContact CD1-CD2 3.36Å; Y49-H66 AromaticContact CE1-CD2 3.84Å; V50-H66 CarbonylContact O-C 3.44Å; V50-H66 WeakPolarHBondContact O-CA 3.37Å; V50-H66 VanDerWaalsContact O-CB 3.27Å; V50-H66 WeakPolarHBondContact O-CB 3.49Å; Y51-H66 HydrophobicContact CD1-CB 3.32Å; Y51-H66 AromaticContact CD1-CG 3.92Å; Y51-H66 HydrophobicContact CD2-CB 4.49Å; Y51-H66 HydrophobicContact CE1-CB 3.47Å; Y51-H66 VanDerWaalsContact CE1-CB 3.47Å; Y51-H66 AromaticContact CE1-CD2 3.96Å; Y51-H66 AromaticContact CE1-CG 3.56Å; Y51-H66 HydrophobicContact CG-CB 3.84Å; Y63-H66 HydrophobicContact CE2-CB 4.13Å; Y63-H66 AromaticContact CE2-ND1 3.6Å; Y63-H66 AromaticContact CZ-ND1 3.52Å; Y63-H66 PolarHBondContact OH-N 2.92Å; Y63-H66 PolarHBondContact OH-ND1 2.94Å; H66-E72 WeakPolarHBondContact O-CG 3.36Å
67	G	95.2	Very high	95.2	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152.7	179.6	0	0	0	0	0	112.2	Y49 V50 I81	Y49-G67 WeakPolarHBondContact CA-O 3.41Å; V50-G67 PolarHBondContact N-O 2.91Å; V50-G67 PolarHBondContact O-N 2.92Å; G67-I81 VanDerWaalsContact C-CD1 3.46Å
68	L	92.2	Very high	95.6	Very high	34 Å²	34	72.2 Å²	72.2	18%	0.178	39%	0.386	C	S	.	.	S	Bend	trans	-99.3	-75.4	-179.2	-169.4	75.6	0	0	0	110.7	E48 Y49 R85	E48-L68 WeakPolarHBondContact O-CD1 3.28Å; Y49-L68 HydrophobicContact CD1-CB 3.74Å; Y49-L68 HydrophobicContact CD1-CD1 4.07Å; Y49-L68 HydrophobicContact CD2-CD1 3.85Å; Y49-L68 HydrophobicContact CE1-CB 3.6Å; Y49-L68 HydrophobicContact CE1-CD1 4.13Å; Y49-L68 HydrophobicContact CE1-CG 4.36Å; Y49-L68 HydrophobicContact CE2-CD1 3.83Å; Y49-L68 HydrophobicContact CG-CB 4.45Å; Y49-L68 HydrophobicContact CG-CD1 3.96Å; L68-R85 VanDerWaalsContact C-NH2 3.33Å; L68-R85 PolarHBondContact O-NE 3.03Å; L68-R85 PolarHBondContact O-NH2 2.96Å
69	K	90.1	Very high	96	Very high	126 Å²	126	66.3 Å²	66.3	55%	0.548	35%	0.345	S	S	.	.	S	Bend	trans	-121.2	-38.2	-175.5	-57.9	-172.5	179.2	175.4	0	112.3
70	N	93.6	Very high	96.4	Very high	119 Å²	119	64.9 Å²	64.9	64%	0.636	34%	0.339	S	S	*	.	S	Bend	trans	-87	158.9	-177.9	-60.7	-22	0	0	0	109.9
71	N	97	Very high	96.5	Very high	89 Å²	89	63 Å²	63	48%	0.476	32%	0.317	S	S	.	.			trans	-66.8	137.2	168.4	-62.2	-19.6	0	0	0	109.2	L79 I80 I81	N71-L79 CarbonylContact C-O 3.56Å; N71-L79 VanDerWaalsContact CA-O 3.23Å; N71-L79 WeakPolarHBondContact CA-O 3.44Å; N71-I80 HydrophobicContact CB-CD1 3.96Å; N71-I80 WeakPolarHBondContact OD1-CA 3.24Å; N71-I81 PolarHBondContact OD1-N 2.96Å
72	E	97.9	Very high	96.5	Very high	79 Å²	79	61.6 Å²	61.6	37%	0.369	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.7	178.9	-60.6	-65.1	167.9	0	0	109.1	I65 H66 S78 L79	I65-E72 HydrophobicContact CD1-CB 3.87Å; I65-E72 HydrophobicContact CG1-CB 4.19Å; H66-E72 WeakPolarHBondContact O-CG 3.36Å; E72-S78 CarbonylContact O-C 3.53Å; E72-S78 WeakPolarHBondContact O-CA 3.44Å; E72-L79 HydrophobicContact CB-CB 4.4Å; E72-L79 PolarHBondContact N-O 2.81Å; E72-L79 PolarHBondContact O-N 2.79Å
73	T	98.4	Very high	96.3	Very high	97 Å²	97	67.7 Å²	67.7	60%	0.595	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.2	175.8	-66.2	0	0	0	0	109.4	A77 S78	T73-A77 WeakPolarHBondContact CA-O 3.17Å; T73-S78 WeakPolarHBondContact CG2-OG 3.4Å; T73-S78 WeakPolarHBondContact OG1-CB 3.48Å; T73-S78 PolarHBondContact OG1-OG 2.84Å
74	N	97.7	Very high	96	Very high	58 Å²	58	66 Å²	66	31%	0.31	34%	0.335	S	S	.	.			trans	-126.7	-171.1	171.3	69	20.5	0	0	0	110	I64 M76 A77	I64-N74 PolarHBondContact O-ND2 2.94Å; N74-M76 PolarHBondContact O-N 3.45Å; N74-M76 WeakPolarHBondContact OD1-CA 3.41Å; N74-M76 PolarHBondContact OD1-N 3.49Å; N74-A77 PolarHBondContact N-O 3.46Å; N74-A77 PolarHBondContact OD1-N 2.86Å; N74-A77 PolarHBondContact OD1-O 2.98Å
75	E	96	Very high	95.7	Very high	196 Å²	196	66.7 Å²	66.7	92%	0.916	34%	0.337	S	S	*	.	S	Bend	trans	-60.1	-25.7	179.9	61.8	-175.3	174.9	0	0	114.5
76	M	95.3	Very high	95.5	Very high	75 Å²	75	71.5 Å²	71.5	37%	0.369	36%	0.358	S	S	.	.	S	Bend	trans	-101.9	-37.5	-173.1	-176.5	178.7	-64	0	0	112.9	I64 N74 P93	I64-M76 HydrophobicContact CG2-SD 4.02Å; N74-M76 PolarHBondContact O-N 3.45Å; N74-M76 WeakPolarHBondContact OD1-CA 3.41Å; N74-M76 PolarHBondContact OD1-N 3.49Å; M76-P93 WeakPolarHBondContact O-CD 3.39Å
77	A	98.1	Very high	95.4	Very high	2 Å²	2	69.7 Å²	69.7	2%	0.017	35%	0.353	C	S	.	.			trans	-153.9	159.7	-167.8	0	0	0	0	0	113.1	I64 T73 N74 L90 I91 L92	I64-A77 HydrophobicContact CG2-CB 3.94Å; T73-A77 WeakPolarHBondContact CA-O 3.17Å; N74-A77 PolarHBondContact N-O 3.46Å; N74-A77 PolarHBondContact OD1-N 2.86Å; N74-A77 PolarHBondContact OD1-O 2.98Å; A77-L90 HydrophobicContact CB-CD1 3.63Å; A77-I91 VanDerWaalsContact CA-O 3.28Å; A77-I91 WeakPolarHBondContact CA-O 3.27Å; A77-I91 WeakPolarHBondContact CB-O 3.36Å; A77-L92 HydrophobicContact CB-CD2 3.97Å
78	S	98.6	Very high	95.5	Very high	30 Å²	30	69.8 Å²	69.8	21%	0.21	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.8	163.8	-60.7	0	0	0	0	110	E72 T73 I91	E72-S78 CarbonylContact O-C 3.53Å; E72-S78 WeakPolarHBondContact O-CA 3.44Å; T73-S78 WeakPolarHBondContact CG2-OG 3.4Å; T73-S78 WeakPolarHBondContact OG1-CB 3.48Å; T73-S78 PolarHBondContact OG1-OG 2.84Å; S78-I91 PolarHBondContact N-O 2.75Å; S78-I91 PolarHBondContact O-N 3.5Å
79	L	98.5	Very high	95.8	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.2	172.1	175.8	58.2	0	0	0	108.3	V50 I65 N71 E72 I81	V50-L79 HydrophobicContact CB-CD2 4.43Å; I65-L79 HydrophobicContact CD1-CB 3.95Å; I65-L79 HydrophobicContact CG1-CB 4.19Å; I65-L79 HydrophobicContact CG2-CB 4.01Å; I65-L79 HydrophobicContact CG2-CD2 4.4Å; N71-L79 CarbonylContact C-O 3.56Å; N71-L79 VanDerWaalsContact CA-O 3.23Å; N71-L79 WeakPolarHBondContact CA-O 3.44Å; E72-L79 HydrophobicContact CB-CB 4.4Å; E72-L79 PolarHBondContact N-O 2.81Å; E72-L79 PolarHBondContact O-N 2.79Å; L79-I81 HydrophobicContact CD2-CD1 4.28Å; L79-I81 HydrophobicContact CG-CD1 4.36Å; L79-I81 HydrophobicContact CG-CG1 4.13Å
80	I	98.1	Very high	96.2	Very high	61 Å²	61	64 Å²	64	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128	176.5	-52.2	-55.2	0	0	0	108.5	N71 S88 T89 I91	N71-I80 HydrophobicContact CB-CD1 3.96Å; N71-I80 WeakPolarHBondContact OD1-CA 3.24Å; I80-S88 CarbonylContact O-C 3.56Å; I80-S88 WeakPolarHBondContact O-CA 3.08Å; I80-S88 WeakPolarHBondContact O-CB 3.44Å; I80-T89 PolarHBondContact N-O 2.83Å; I80-T89 PolarHBondContact O-N 3.26Å; I80-I91 HydrophobicContact CD1-CD1 4.36Å; I80-I91 HydrophobicContact CG1-CD1 3.53Å; I80-I91 HydrophobicContact CG1-CG1 4.28Å
81	I	95.9	Very high	96.4	Very high	10 Å²	10	60.2 Å²	60.2	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.6	179.9	-63.6	173.2	0	0	0	108.2	G67 N71 L79 R85	G67-I81 VanDerWaalsContact C-CD1 3.46Å; N71-I81 PolarHBondContact OD1-N 2.96Å; L79-I81 HydrophobicContact CD2-CD1 4.28Å; L79-I81 HydrophobicContact CG-CD1 4.36Å; L79-I81 HydrophobicContact CG-CG1 4.13Å; I81-R85 HydrophobicContact CG2-CG 4.38Å
82	T	95.3	Very high	96.5	Very high	49 Å²	49	56.3 Å²	56.3	30%	0.301	29%	0.289	S	S	.	.			trans	-69.5	151	177.1	57.1	0	0	0	0	111.4	D84 R85 K86 S87	T82-D84 WeakPolarHBondContact CB-OD1 3.4Å; T82-D84 PolarHBondContact O-N 2.9Å; T82-D84 PolarHBondContact OG1-OD1 3.36Å; T82-R85 WeakPolarHBondContact O-CA 3.44Å; T82-R85 PolarHBondContact O-N 3.44Å; T82-K86 PolarHBondContact OG1-N 2.8Å; T82-S87 WeakPolarHBondContact CG2-OG 3.49Å; T82-S87 PolarHBondContact N-O 2.86Å; T82-S87 PolarHBondContact OG1-N 3.12Å; T82-S87 PolarHBondContact OG1-O 2.96Å; T82-S87 VanDerWaalsContact OG1-O 3.08Å; T82-S87 PolarHBondContact OG1-OG 2.86Å
83	E	92.6	Very high	96.5	Very high	199 Å²	199	55.5 Å²	55.5	93%	0.93	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-37	-179.6	-173.7	176.4	-171	0	0	112.7	R85	E83-R85 PolarHBondContact O-N 2.88Å
84	D	92.3	Very high	96.4	Very high	84 Å²	84	57.4 Å²	57.4	45%	0.449	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-5	176.5	76.6	-14.7	0	0	0	114.2	T82 K86	T82-D84 WeakPolarHBondContact CB-OD1 3.4Å; T82-D84 PolarHBondContact O-N 2.9Å; T82-D84 PolarHBondContact OG1-OD1 3.36Å; D84-K86 HydrophobicContact CB-CG 4.49Å; D84-K86 PolarHBondContact O-N 2.97Å; D84-K86 PolarHBondContact OD1-N 2.93Å; D84-K86 WeakPolarHBondContact OD2-CD 3.28Å
85	R	91.9	Very high	96.3	Very high	21 Å²	21	55.1 Å²	55.1	8%	0.079	28%	0.281	C	S	.	.	S	Bend	trans	51.2	35.8	-177.6	-52.6	-175.9	71.9	-154.2	1.8	113.4	H41 I44 G46 E48 L68 I81 T82 E83	H41-R85 PolarHBondContact CE1-O 3.32Å; H41-R85 PolarHBondContact ND1-O 3.04Å; I44-R85 HydrophobicContact CB-CB 4.3Å; I44-R85 PolarHBondContact N-O 3.28Å; I44-R85 VanDerWaalsContact N-O 3.15Å; I44-R85 PolarHBondContact O-NH1 3.21Å; G46-R85 PolarHBondContact O-NH1 3.14Å; G46-R85 VanDerWaalsContact O-NH1 3.14Å; E48-R85 PolarHBondContact O-NH2 2.77Å; L68-R85 VanDerWaalsContact C-NH2 3.33Å; L68-R85 PolarHBondContact O-NE 3.03Å; L68-R85 PolarHBondContact O-NH2 2.96Å; I81-R85 HydrophobicContact CG2-CG 4.38Å; T82-R85 WeakPolarHBondContact O-CA 3.44Å; T82-R85 PolarHBondContact O-N 3.44Å; E83-R85 PolarHBondContact O-N 2.88Å
86	K	93.2	Very high	96.3	Very high	106 Å²	106	48.6 Å²	48.6	46%	0.461	26%	0.255	S	S	.	.	S	Bend	trans	-102.3	-12	172.7	-65.4	-174.6	-173.7	168.4	0	113.4	H41 T43 T82 D84	H41-K86 PolarHBondContact N-O 2.62Å; H41-K86 PolarHBondContact ND1-O 3.31Å; H41-K86 CarbonylContact O-C 3.58Å; H41-K86 WeakPolarHBondContact O-CA 3.46Å; T43-K86 WeakPolarHBondContact OG1-CE 3.39Å; T43-K86 VanDerWaalsContact OG1-CG 3.27Å; T43-K86 WeakPolarHBondContact OG1-CG 3.46Å; T82-K86 PolarHBondContact OG1-N 2.8Å; D84-K86 HydrophobicContact CB-CG 4.49Å; D84-K86 PolarHBondContact O-N 2.97Å; D84-K86 PolarHBondContact OD1-N 2.93Å; D84-K86 WeakPolarHBondContact OD2-CD 3.28Å
87	S	95.6	Very high	96.3	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.5	172	63.8	0	0	0	0	112.4	C39 N40 H41 T82	C39-S87 CarbonylContact O-C 3.45Å; C39-S87 VanDerWaalsContact O-CA 3.25Å; C39-S87 WeakPolarHBondContact O-CA 3.05Å; C39-S87 WeakPolarHBondContact O-CB 3.27Å; N40-S87 VanDerWaalsContact OD1-CB 3.22Å; N40-S87 WeakPolarHBondContact OD1-CB 3.32Å; H41-S87 PolarHBondContact CE1-N 2.91Å; T82-S87 WeakPolarHBondContact CG2-OG 3.49Å; T82-S87 PolarHBondContact N-O 2.86Å; T82-S87 PolarHBondContact OG1-N 3.12Å; T82-S87 PolarHBondContact OG1-O 2.96Å; T82-S87 VanDerWaalsContact OG1-O 3.08Å; T82-S87 PolarHBondContact OG1-OG 2.86Å
88	S	96.9	Very high	96	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.9	174.4	59.4	0	0	0	0	110	C39 V50 I80	C39-S88 PolarHBondContact N-O 3.23Å; C39-S88 PolarHBondContact O-N 2.88Å; V50-S88 WeakPolarHBondContact CG1-OG 3.3Å; I80-S88 CarbonylContact O-C 3.56Å; I80-S88 WeakPolarHBondContact O-CA 3.08Å; I80-S88 WeakPolarHBondContact O-CB 3.44Å
89	T	98.4	Very high	95.9	Very high	40 Å²	40	61.7 Å²	61.7	25%	0.245	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.4	177.4	-58.3	0	0	0	0	109.1	N36 L37 I80 I91	N36-T89 HydrophobicContact CB-CG2 3.94Å; L37-T89 WeakPolarHBondContact O-CA 2.99Å; I80-T89 PolarHBondContact N-O 2.83Å; I80-T89 PolarHBondContact O-N 3.26Å; T89-I91 HydrophobicContact CG2-CG1 4.01Å
90	L	98.7	Very high	95.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.7	166.4	178.9	74.1	0	0	0	108.5	L37 W52 I64 I65 A77 L92 Y103	L37-L90 HydrophobicContact CB-CB 4.28Å; L37-L90 PolarHBondContact N-O 2.81Å; L37-L90 PolarHBondContact O-N 3.1Å; W52-L90 HydrophobicContact CB-CD1 4.18Å; W52-L90 HydrophobicContact CB-CD2 4.2Å; W52-L90 HydrophobicContact CD2-CB 3.61Å; W52-L90 HydrophobicContact CD2-CD1 4.48Å; W52-L90 HydrophobicContact CD2-CD2 3.83Å; W52-L90 HydrophobicContact CD2-CG 4.19Å; W52-L90 HydrophobicContact CE3-CB 4Å; W52-L90 HydrophobicContact CE3-CD2 3.64Å; W52-L90 HydrophobicContact CE3-CG 4.41Å; W52-L90 HydrophobicContact CG-CB 4.01Å; W52-L90 HydrophobicContact CG-CD1 4.08Å; W52-L90 HydrophobicContact CG-CD2 4.1Å; W52-L90 HydrophobicContact CG-CG 4.31Å; W52-L90 HydrophobicContact CH2-CB 4.11Å; W52-L90 HydrophobicContact CZ2-CB 3.76Å; W52-L90 HydrophobicContact CZ3-CB 4.24Å; W52-L90 HydrophobicContact CZ3-CD2 4.21Å; I64-L90 HydrophobicContact CD1-CD2 3.88Å; I64-L90 HydrophobicContact CG2-CD1 4.27Å; I65-L90 HydrophobicContact CG2-CD1 3.5Å; I65-L90 VanDerWaalsContact CG2-CD1 3.5Å; A77-L90 HydrophobicContact CB-CD1 3.63Å; L90-L92 HydrophobicContact CD2-CD2 4.43Å; L90-Y103 HydrophobicContact CD2-CD1 3.61Å; L90-Y103 HydrophobicContact CD2-CE1 4.02Å
91	I	98.6	Very high	95.6	Very high	39 Å²	39	65.3 Å²	65.3	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.4	179.4	-53.8	-177.6	0	0	0	108.4	A34 A35 N36 A77 S78 I80 T89	A34-I91 HydrophobicContact CB-CG2 4.36Å; A35-I91 WeakPolarHBondContact O-CA 3.36Å; N36-I91 WeakPolarHBondContact OD1-CG1 3.08Å; A77-I91 VanDerWaalsContact CA-O 3.28Å; A77-I91 WeakPolarHBondContact CA-O 3.27Å; A77-I91 WeakPolarHBondContact CB-O 3.36Å; S78-I91 PolarHBondContact N-O 2.75Å; S78-I91 PolarHBondContact O-N 3.5Å; I80-I91 HydrophobicContact CD1-CD1 4.36Å; I80-I91 HydrophobicContact CG1-CD1 3.53Å; I80-I91 HydrophobicContact CG1-CG1 4.28Å; T89-I91 HydrophobicContact CG2-CG1 4.01Å
92	L	98.2	Very high	95.7	Very high	7 Å²	7	68.4 Å²	68.4	4%	0.037	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	111.1	166.6	-54.6	174.6	0	0	0	107	A34 A35 L37 A77 L90 H94 D99 Y103	A34-L92 CarbonylContact C-O 3.52Å; A34-L92 WeakPolarHBondContact CA-O 3.45Å; A35-L92 HydrophobicContact CB-CB 4.26Å; A35-L92 HydrophobicContact CB-CD1 4.44Å; A35-L92 PolarHBondContact N-O 3.03Å; A35-L92 PolarHBondContact O-N 3.21Å; L37-L92 HydrophobicContact CD1-CD1 4.23Å; L37-L92 HydrophobicContact CD1-CG 4.32Å; A77-L92 HydrophobicContact CB-CD2 3.97Å; L90-L92 HydrophobicContact CD2-CD2 4.43Å; L92-H94 VanDerWaalsContact C-N 3.34Å; L92-H94 PolarHBondContact O-N 2.61Å; L92-D99 HydrophobicContact CD1-CB 4.32Å; L92-Y103 HydrophobicContact CD1-CE1 3.91Å; L92-Y103 HydrophobicContact CD1-CE2 4.41Å; L92-Y103 VanDerWaalsContact CD1-OH 3.28Å; L92-Y103 WeakPolarHBondContact CD1-OH 3.45Å; L92-Y103 HydrophobicContact CD2-CE1 4.4Å
93	P	97.5	Very high	95.8	Very high	62 Å²	62	67.2 Å²	67.2	40%	0.403	34%	0.344	S	S	.	.	S	Bend	trans	-66.8	-32.9	-168.1	24	-33.4	0	0	0	113.7	A34 M76	A34-P93 WeakPolarHBondContact CA-O 3.49Å; A34-P93 PolarHBondContact N-O 2.95Å; M76-P93 WeakPolarHBondContact O-CD 3.39Å
94	H	96.7	Very high	96	Very high	136 Å²	136	61.9 Å²	61.9	63%	0.63	32%	0.316	S	S	*	.	S	Bend	trans	-133.9	87.4	178.5	-65	-73.9	0	0	0	109.8	G32 L92 T96	G32-H94 PolarHBondContact O-ND1 2.85Å; L92-H94 VanDerWaalsContact C-N 3.34Å; L92-H94 PolarHBondContact O-N 2.61Å; H94-T96 PolarHBondContact O-N 3.08Å
95	A	96.5	Very high	96.2	Very high	11 Å²	11	58 Å²	58	9%	0.091	30%	0.296	C	S	.	.			trans	-68.5	130.7	178.3	0	0	0	0	0	110.9	C29 E31 G32 R33 A35	C29-A95 HydrophobicContact CB-CB 4.47Å; E31-A95 CarbonylContact C-O 3.4Å; E31-A95 WeakPolarHBondContact CA-O 3.31Å; G32-A95 PolarHBondContact N-O 3.41Å; R33-A95 WeakPolarHBondContact O-CB 3.09Å; R33-A95 PolarHBondContact O-N 3.46Å; A35-A95 HydrophobicContact CB-CB 3.99Å
96	T	96.2	Very high	96.3	Very high	58 Å²	58	60.6 Å²	60.6	36%	0.356	31%	0.31	S	S	.	.			trans	-120.1	168.7	174.4	67.9	0	0	0	0	110.4	H94 R98 D99	H94-T96 PolarHBondContact O-N 3.08Å; T96-R98 PolarHBondContact O-N 3.17Å; T96-R98 PolarHBondContact OG1-N 3.15Å; T96-D99 PolarHBondContact N-OD2 3.01Å; T96-D99 WeakPolarHBondContact O-CB 3.34Å; T96-D99 PolarHBondContact O-N 3.45Å; T96-D99 PolarHBondContact OG1-OD2 2.87Å
97	L	94.3	Very high	96.3	Very high	130 Å²	130	56.2 Å²	56.2	68%	0.681	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-55	-26.8	172.3	-69.3	175.2	0	0	0	113.1	D99 T100	L97-D99 VanDerWaalsContact C-N 3.25Å; L97-D99 PolarHBondContact O-N 3.48Å; L97-T100 WeakPolarHBondContact O-CB 3.37Å; L97-T100 PolarHBondContact O-N 3.2Å; L97-T100 PolarHBondContact O-OG1 2.9Å
98	R	93.1	Very high	96.1	Very high	220 Å²	220	60.6 Å²	60.6	83%	0.83	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-72.1	-17.9	177.3	-62.6	-178.2	176.3	-176.8	-0.6	113.6	T96 T100	T96-R98 PolarHBondContact O-N 3.17Å; T96-R98 PolarHBondContact OG1-N 3.15Å; R98-T100 VanDerWaalsContact C-N 3.27Å
99	D	95	Very high	95.5	Very high	33 Å²	33	67.1 Å²	67.1	18%	0.176	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-87	-0.3	176.4	-57.4	-58.2	0	0	0	112.1	R54 L92 T96 L97 A101 Y103	R54-D99 IonicContact NH1-OD1 2.62Å; L92-D99 HydrophobicContact CD1-CB 4.32Å; T96-D99 PolarHBondContact N-OD2 3.01Å; T96-D99 WeakPolarHBondContact O-CB 3.34Å; T96-D99 PolarHBondContact O-N 3.45Å; T96-D99 PolarHBondContact OG1-OD2 2.87Å; L97-D99 VanDerWaalsContact C-N 3.25Å; L97-D99 PolarHBondContact O-N 3.48Å; D99-A101 PolarHBondContact O-N 3Å; D99-Y103 WeakPolarHBondContact O-CE2 3.23Å; D99-Y103 PolarHBondContact O-OH 3.32Å; D99-Y103 VanDerWaalsContact O-OH 3.04Å
100	T	95.6	Very high	95.3	Very high	105 Å²	105	68.5 Å²	68.5	64%	0.644	35%	0.349	S	S	*	.			trans	-65.7	105.5	172.2	-50.6	0	0	0	0	109.7	L97 R98	L97-T100 WeakPolarHBondContact O-CB 3.37Å; L97-T100 PolarHBondContact O-N 3.2Å; L97-T100 PolarHBondContact O-OG1 2.9Å; R98-T100 VanDerWaalsContact C-N 3.27Å
101	A	96.5	Very high	95.2	Very high	31 Å²	31	72.1 Å²	72.1	26%	0.256	37%	0.367	S	S	.	.	S	Bend	trans	-160.8	171.9	-174.9	0	0	0	0	0	110.9	R54 Q55 I56 D99 Y103	R54-A101 HydrophobicContact CG-CB 3.47Å; R54-A101 VanDerWaalsContact CG-CB 3.47Å; Q55-A101 WeakPolarHBondContact O-CB 3.35Å; I56-A101 HydrophobicContact CG1-CB 4.09Å; D99-A101 PolarHBondContact O-N 3Å; A101-Y103 HydrophobicContact CB-CD2 4.38Å; A101-Y103 HydrophobicContact CB-CE2 3.83Å; A101-Y103 WeakPolarHBondContact O-CD2 3.06Å
102	V	96.9	Very high	95	Very high	75 Å²	75	73.9 Å²	73.9	46%	0.455	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132	166.7	-174.3	0	0	0	0	108.7	R54 Q55 Y104	R54-V102 CarbonylContact C-O 3.54Å; R54-V102 WeakPolarHBondContact CA-O 3.4Å; Q55-V102 PolarHBondContact N-O 2.78Å; Q55-V102 PolarHBondContact O-N 2.94Å; Q55-V102 VanDerWaalsContact O-N 3.1Å; V102-Y104 HydrophobicContact CB-CE2 4.13Å; V102-Y104 HydrophobicContact CG1-CD1 4.38Å; V102-Y104 HydrophobicContact CG1-CD2 4.33Å; V102-Y104 HydrophobicContact CG1-CE1 3.75Å; V102-Y104 HydrophobicContact CG1-CE2 3.69Å
103	Y	97.6	Very high	94.8	Very high	24 Å²	24	77.9 Å²	77.9	9%	0.094	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.2	178.8	-71.4	-100.5	0	0	0	110.4	Q23 L37 Y53 R54 I64 L90 L92 D99 A101	Q23-Y103 PolarHBondContact NE2-O 2.86Å; L37-Y103 VanDerWaalsContact CD2-CB 3.5Å; L37-Y103 HydrophobicContact CD2-CD1 4.03Å; L37-Y103 HydrophobicContact CD2-CD2 3.65Å; L37-Y103 HydrophobicContact CD2-CE2 4.38Å; L37-Y103 HydrophobicContact CD2-CG 3.46Å; L37-Y103 VanDerWaalsContact CD2-CG 3.46Å; Y53-Y103 CarbonylContact O-C 3.54Å; Y53-Y103 VanDerWaalsContact O-CA 3.31Å; Y53-Y103 WeakPolarHBondContact O-CA 3.01Å; R54-Y103 HydrophobicContact CB-CD1 4.32Å; R54-Y103 HydrophobicContact CB-CE1 4.08Å; R54-Y103 WeakPolarHBondContact CD-OH 3.44Å; R54-Y103 HydrophobicContact CG-CD1 4.42Å; R54-Y103 HydrophobicContact CG-CE1 3.93Å; R54-Y103 HydrophobicContact CG-CE2 4.32Å; I64-Y103 HydrophobicContact CD1-CD1 3.53Å; I64-Y103 HydrophobicContact CD1-CE1 3.53Å; L90-Y103 HydrophobicContact CD2-CD1 3.61Å; L90-Y103 HydrophobicContact CD2-CE1 4.02Å; L92-Y103 HydrophobicContact CD1-CE1 3.91Å; L92-Y103 HydrophobicContact CD1-CE2 4.41Å; L92-Y103 VanDerWaalsContact CD1-OH 3.28Å; L92-Y103 WeakPolarHBondContact CD1-OH 3.45Å; L92-Y103 HydrophobicContact CD2-CE1 4.4Å; D99-Y103 WeakPolarHBondContact O-CE2 3.23Å; D99-Y103 PolarHBondContact O-OH 3.32Å; D99-Y103 VanDerWaalsContact O-OH 3.04Å; A101-Y103 HydrophobicContact CB-CD2 4.38Å; A101-Y103 HydrophobicContact CB-CE2 3.83Å; A101-Y103 WeakPolarHBondContact O-CD2 3.06Å
104	Y	96.7	Very high	94.6	Very high	88 Å²	88	78.9 Å²	78.9	35%	0.345	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.2	-178.8	-58.7	-80.3	0	0	0	110.8	W52 Y53 Q55 V102	W52-Y104 WeakPolarHBondContact CA-O 3.46Å; Y53-Y104 PolarHBondContact N-O 2.68Å; Y53-Y104 PolarHBondContact O-N 2.76Å; Q55-Y104 HydrophobicContact CB-CD2 4.39Å; Q55-Y104 HydrophobicContact CB-CE2 3.68Å; Q55-Y104 VanDerWaalsContact OE1-CZ 3.32Å; Q55-Y104 PolarHBondContact OE1-OH 2.92Å; V102-Y104 HydrophobicContact CB-CE2 4.13Å; V102-Y104 HydrophobicContact CG1-CD1 4.38Å; V102-Y104 HydrophobicContact CG1-CD2 4.33Å; V102-Y104 HydrophobicContact CG1-CE1 3.75Å; V102-Y104 HydrophobicContact CG1-CE2 3.69Å
105	C	96.7	Very high	94.5	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.014	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.6	168.7	175.9	0	0	0	0	109.9	T21 Q23 C39 Y51 W52	T21-C105 PolarHBondContact OG1-O 3.14Å; T21-C105 VanDerWaalsContact OG1-O 3.04Å; Q23-C105 HydrophobicContact CG-CB 4.11Å; C39-C105 HydrophobicContact CB-CB 3.48Å; C39-C105 VanDerWaalsContact CB-CB 3.48Å; C39-C105 WeakPolarHBondContact CB-SG 3.05Å; C39-C105 WeakPolarHBondContact SG-CB 3.17Å; C39-C105 CovalentContact SG-SG 2.02Å; C39-C105 PolarHBondContact SG-SG 2.93Å; Y51-C105 WeakPolarHBondContact O-CA 3.28Å; W52-C105 HydrophobicContact CD2-CB 4.08Å; W52-C105 HydrophobicContact CE3-CB 4.15Å; W52-C105 HydrophobicContact CH2-CB 3.88Å; W52-C105 HydrophobicContact CZ2-CB 3.76Å; W52-C105 HydrophobicContact CZ3-CB 4.05Å
106	I	94.5	Very high	94.3	Very high	76 Å²	76	79.6 Å²	79.6	39%	0.39	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.9	-177.4	-57.1	174.5	0	0	0	109.2	Y51 Y53	Y51-I106 PolarHBondContact N-O 3.48Å; Y51-I106 PolarHBondContact O-N 2.94Å; Y53-I106 HydrophobicContact CD2-CD1 4.15Å; Y53-I106 HydrophobicContact CE2-CD1 4.25Å
107	V	93.2	Very high	94.2	Very high	14 Å²	14	81.3 Å²	81.3	9%	0.085	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.7	170.5	177.1	0	0	0	0	109.3	K20 T21 H41 I44 E48 Y49 V50	K20-V107 HydrophobicContact CD-CB 4.31Å; K20-V107 HydrophobicContact CD-CG1 4.4Å; T21-V107 HydrophobicContact CG2-CB 4.41Å; T21-V107 HydrophobicContact CG2-CG2 3.85Å; H41-V107 HydrophobicContact CB-CG2 3.85Å; I44-V107 HydrophobicContact CD1-CB 4.42Å; I44-V107 HydrophobicContact CD1-CG1 3.87Å; I44-V107 HydrophobicContact CD1-CG2 3.63Å; I44-V107 HydrophobicContact CG1-CG1 3.79Å; I44-V107 HydrophobicContact CG1-CG2 4.1Å; I44-V107 HydrophobicContact CG2-CG1 4.03Å; E48-V107 HydrophobicContact CB-CG1 3.93Å; Y49-V107 WeakPolarHBondContact O-CA 3.46Å; V50-V107 HydrophobicContact CG2-CG2 4.36Å
108	R	90.4	Very high	94.2	Very high	120 Å²	120	77.3 Å²	77.3	45%	0.453	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	154.5	175.5	64.4	-176.1	-176.5	166.5	8.4	112	E48 Y49 Y51 Y53	E48-R108 CarbonylContact C-O 3.49Å; E48-R108 VanDerWaalsContact CA-O 3.3Å; E48-R108 WeakPolarHBondContact CA-O 2.96Å; E48-R108 WeakPolarHBondContact CB-O 2.94Å; Y49-R108 PolarHBondContact N-O 3.24Å; Y49-R108 PolarHBondContact O-N 2.77Å; Y49-R108 VanDerWaalsContact O-N 3.12Å; Y51-R108 HydrophobicContact CD2-CG 3.58Å; Y51-R108 HydrophobicContact CE2-CG 3.38Å; Y53-R108 PolarHBondContact OH-NH2 3.24Å
109	V	84.3	Confident	94.3	Very high	139 Å²	139	64.3 Å²	64.3	84%	0.842	34%	0.341	S	S	*	.			trans	-70.8	0	171.2	-177.9	0	0	0	0	110.5	E48	E48-V109 HydrophobicContact CB-CG2 4.08Å; E48-V109 HydrophobicContact CG-CG2 3.96Å

Retrieved 109 of 109 residues in 47.5 ms (Link to these results)

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