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T cell receptor beta variable 20-1

V region of the variable domain of T cell receptor (TR) beta 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 A0A075B6N2, Species HUMAN (Homo sapiens, Human), Gene TRBV20-1, Length 111 aa.

						>TVBT1_HUMAN|A0A075B6N2|TRBV20-1
MLLLLLLLGPGSGLGAVVSQHPSRVICKSGTSVKIECRSLDFQATTMFWYRQFPKQSLMLMATSNEGSKATYEQGVEKDKFLINHASLTLSTLTVTSAHPEDSSFYICSAR
					

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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	51.5	Low	59.5	Low	229 Å²	229	140.3 Å²	140.3	100%	1.128	80%	0.799	S	S	*	*				0	92.8	0	-161.8	178.8	78.4	0	0	107.4
2	L	57.7	Low	59.6	Low	176 Å²	176	138.4 Å²	138.4	92%	0.921	80%	0.801	S	S	*	*			trans	-133	112.3	174.5	-152.3	78.1	0	0	0	106.5	L4	L2-L4 PolarHBondContact O-N 3.03Å
3	L	61.5	Low	59.9	Low	135 Å²	135	133.2 Å²	133.2	71%	0.707	80%	0.795	S	S	*	*			trans	-65.5	124.3	-171.2	-108.9	76.3	0	0	0	110.9	L5	L3-L5 VanDerWaalsContact C-N 3.29Å; L3-L5 HydrophobicContact CB-CD1 4.22Å; L3-L5 HydrophobicContact CD2-CD1 4.23Å; L3-L5 HydrophobicContact CD2-CG 4.42Å; L3-L5 PolarHBondContact O-N 3.44Å
4	L	61.2	Low	60.6	Low	152 Å²	152	136.5 Å²	136.5	80%	0.796	81%	0.806	S	S	*	*			trans	-72.7	83.9	161.8	-165.7	83.4	0	0	0	108.3	L2 L6	L2-L4 PolarHBondContact O-N 3.03Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 HydrophobicContact CD2-CD1 4.39Å; L4-L6 HydrophobicContact CD2-CG 4.42Å; L4-L6 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact O-N 3.11Å
5	L	66	Low	61.7	Low	141 Å²	141	130.9 Å²	130.9	74%	0.738	79%	0.788	S	S	*	*			trans	-76.7	91.7	166.1	-85.1	136.3	0	0	0	107.8	L3 L7	L3-L5 VanDerWaalsContact C-N 3.29Å; L3-L5 HydrophobicContact CB-CD1 4.22Å; L3-L5 HydrophobicContact CD2-CD1 4.23Å; L3-L5 HydrophobicContact CD2-CG 4.42Å; L3-L5 PolarHBondContact O-N 3.44Å; L5-L7 PolarHBondContact O-N 2.99Å
6	L	63.2	Low	63.2	Low	131 Å²	131	127.6 Å²	127.6	69%	0.686	78%	0.779	S	S	*	*			trans	-50.4	108.3	164.8	-79.8	134.7	0	0	0	108.4	L4 L8	L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 HydrophobicContact CD2-CD1 4.39Å; L4-L6 HydrophobicContact CD2-CG 4.42Å; L4-L6 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact O-N 3.11Å; L6-L8 HydrophobicContact CB-CD1 4.5Å; L6-L8 PolarHBondContact O-N 2.77Å
7	L	58.5	Low	65	Low	174 Å²	174	124.6 Å²	124.6	91%	0.911	76%	0.761	S	S	*	*			trans	-66.9	67.5	167.6	-73	156.9	0	0	0	109.1	L5 G9	L5-L7 PolarHBondContact O-N 2.99Å; L7-G9 PolarHBondContact O-N 3Å
8	L	57.4	Low	66.8	Low	157 Å²	157	120.2 Å²	120.2	82%	0.822	73%	0.734	S	S	*	*			trans	-74.1	66.2	149.3	-76.3	146.5	0	0	0	105.8	L6	L6-L8 HydrophobicContact CB-CD1 4.5Å; L6-L8 PolarHBondContact O-N 2.77Å
9	G	60.4	Low	68.4	Low	48 Å²	48	116.2 Å²	116.2	50%	0.495	71%	0.711	S	S	.	*			trans	-55.2	133.8	162.4	0	0	0	0	0	106.3	L7 G11	L7-G9 PolarHBondContact O-N 3Å; G9-G11 PolarHBondContact O-N 2.71Å
10	P	58.3	Low	69.9	Low	124 Å²	124	113.5 Å²	113.5	81%	0.805	69%	0.69	S	S	*	*			trans	-51.5	111.5	177	16.9	-26.4	0	0	0	106.6	S12	P10-S12 PolarHBondContact O-N 3.08Å
11	G	58.5	Low	71.3	Confident	76 Å²	76	114.4 Å²	114.4	78%	0.784	69%	0.687	S	S	*	*			trans	-57.9	109.8	-176.5	0	0	0	0	0	106.8	G9 G13	G9-G11 PolarHBondContact O-N 2.71Å; G11-G13 PolarHBondContact O-N 2.76Å
12	S	61.1	Low	73.5	Confident	118 Å²	118	105.2 Å²	105.2	83%	0.825	64%	0.644	S	S	*	*			trans	-68.5	65	169.1	-46.5	0	0	0	0	107.7	P10 L14	P10-S12 PolarHBondContact O-N 3.08Å; S12-L14 PolarHBondContact O-N 3.5Å
13	G	63.2	Low	75.4	Confident	70 Å²	70	102.7 Å²	102.7	72%	0.722	64%	0.641	S	S	*	*			trans	-66.8	104.8	172.6	0	0	0	0	0	106.8	G11 G15	G11-G13 PolarHBondContact O-N 2.76Å; G13-G15 PolarHBondContact O-N 3.49Å
14	L	69.9	Low	77.1	Confident	180 Å²	180	106.1 Å²	106.1	94%	0.942	65%	0.645	S	S	*	*			trans	-66.5	75.5	161.8	-67.1	168.4	0	0	0	107	S12	S12-L14 PolarHBondContact O-N 3.5Å
15	G	77	Confident	78.9	Confident	52 Å²	52	102 Å²	102	54%	0.536	63%	0.626	S	S	.	*			trans	-77.2	126	175.3	0	0	0	0	0	109.2	G13 V17	G13-G15 PolarHBondContact O-N 3.49Å; G15-V17 PolarHBondContact O-N 3.2Å
16	A	86.1	Confident	80.4	Confident	79 Å²	79	102.9 Å²	102.9	65%	0.653	63%	0.629	S	S	*	*			trans	-69.6	117.5	164.3	0	0	0	0	0	108.2	F42	A16-F42 HydrophobicContact CB-CD1 3.82Å; A16-F42 HydrophobicContact CB-CE1 3.64Å; A16-F42 HydrophobicContact CB-CG 4.38Å; A16-F42 HydrophobicContact CB-CZ 4.02Å
17	V	93.9	Very high	82	Confident	77 Å²	77	99.3 Å²	99.3	47%	0.467	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	-177.4	179.7	0	0	0	0	110	G15 L40 F42	G15-V17 PolarHBondContact O-N 3.2Å; V17-L40 HydrophobicContact CB-CB 4.41Å; V17-L40 HydrophobicContact CB-CD1 4.37Å; V17-L40 HydrophobicContact CG1-CD1 3.95Å; V17-L40 WeakPolarHBondContact O-CB 3.17Å; V17-L40 PolarHBondContact O-N 2.78Å; V17-F42 WeakPolarHBondContact O-CE1 3.18Å
18	V	97.3	Very high	83.9	Confident	45 Å²	45	99.4 Å²	99.4	27%	0.273	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	145.1	165.6	-64.7	0	0	0	0	110.1	R38 F42 A110	V18-R38 CarbonylContact C-O 3.59Å; V18-R38 VanDerWaalsContact CA-O 3.25Å; V18-R38 WeakPolarHBondContact CA-O 3.29Å; V18-F42 HydrophobicContact CG1-CZ 4.19Å; V18-A110 HydrophobicContact CG1-CB 3.56Å
19	S	97.7	Very high	85.8	Confident	43 Å²	43	95.6 Å²	95.6	30%	0.301	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.6	143	171.2	63.4	0	0	0	0	110.3	C37 R38	S19-C37 CarbonylContact O-C 3.56Å; S19-C37 WeakPolarHBondContact O-CA 3.41Å; S19-R38 PolarHBondContact N-O 2.77Å; S19-R38 PolarHBondContact O-N 3.3Å; S19-R38 PolarHBondContact OG-O 3.01Å
20	Q	98.3	Very high	87.6	Confident	63 Å²	63	95.2 Å²	95.2	29%	0.294	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	137.8	178.6	-72.6	-176.1	-115	0	0	111.6	E36 C37 Y106 C108	Q20-E36 WeakPolarHBondContact CA-O 3.26Å; Q20-C37 HydrophobicContact CG-CB 4.48Å; Q20-Y106 PolarHBondContact NE2-O 2.8Å; Q20-C108 HydrophobicContact CG-CB 4.45Å; Q20-C108 WeakPolarHBondContact CG-SG 3.5Å
21	H	98.5	Very high	89.5	Confident	132 Å²	132	92.1 Å²	92.1	61%	0.611	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-144.6	137.8	175.8	-173.4	-83.2	0	0	0	111.8	E36	H21-E36 PolarHBondContact N-O 3.07Å; H21-E36 PolarHBondContact O-N 2.73Å
22	P	98.3	Very high	91.5	Very high	37 Å²	37	92 Å²	92	24%	0.24	56%	0.556	C	S	.	*			cis	-69.9	154.4	-9.5	31	-36.2	0	0	0	111.7	R24 V25 K34	P22-R24 VanDerWaalsContact C-N 3.32Å; P22-V25 HydrophobicContact CB-CG2 4.07Å; P22-V25 HydrophobicContact CG-CG2 3.21Å; P22-K34 WeakPolarHBondContact CD-O 3.22Å
23	S	96.8	Very high	93.2	Very high	123 Å²	123	87.3 Å²	87.3	86%	0.86	52%	0.523	S	S	*	.	S	Bend	trans	-75.6	-21.4	177.3	59.4	0	0	0	0	113.3
24	R	97.5	Very high	94.9	Very high	206 Å²	206	88.7 Å²	88.7	78%	0.777	51%	0.509	S	S	*	.			trans	-151.7	141.3	176.5	-179.7	179.1	-70.5	-178.6	-1.6	109.9	P22	P22-R24 VanDerWaalsContact C-N 3.32Å
25	V	98	Very high	96.3	Very high	66 Å²	66	80.8 Å²	80.8	40%	0.4	47%	0.468	S	S	.	.			trans	-131	134	172.4	-175.6	0	0	0	0	109.3	P22 C27 V33	P22-V25 HydrophobicContact CB-CG2 4.07Å; P22-V25 HydrophobicContact CG-CG2 3.21Å; V25-C27 HydrophobicContact CG1-CB 4.08Å; V25-V33 HydrophobicContact CB-CG1 3.94Å; V25-V33 HydrophobicContact CG1-CG1 3.85Å; V25-V33 HydrophobicContact CG1-CG2 3.87Å; V25-V33 HydrophobicContact CG2-CG1 3.69Å
26	I	98	Very high	97.3	Very high	159 Å²	159	80.5 Å²	80.5	82%	0.815	45%	0.452	S	S	*	.			trans	-119.5	120.5	164.6	-59.3	174	0	0	0	105.1
27	C	97.6	Very high	97.9	Very high	57 Å²	57	76.7 Å²	76.7	39%	0.385	42%	0.421	S	S	.	.			trans	-135.7	164.7	-174.4	65.1	0	0	0	0	111	V25 T31 V33	V25-C27 HydrophobicContact CG1-CB 4.08Å; C27-T31 HydrophobicContact CB-CG2 4.15Å; C27-V33 HydrophobicContact CB-CG2 4.17Å; C27-V33 VanDerWaalsContact SG-CG2 3.57Å
28	K	98	Very high	98.1	Very high	176 Å²	176	77.8 Å²	77.8	77%	0.765	42%	0.417	S	S	*	.			trans	-76	148.2	171.9	-66.7	-177.5	179.9	-180	0	109.7	G30 T31	K28-G30 PolarHBondContact O-N 3.13Å; K28-T31 WeakPolarHBondContact O-CB 3.14Å; K28-T31 PolarHBondContact O-N 2.87Å; K28-T31 VanDerWaalsContact O-N 3.08Å; K28-T31 PolarHBondContact O-OG1 2.95Å
29	S	97.9	Very high	98.1	Very high	77 Å²	77	76 Å²	76	54%	0.538	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	140.9	172.9	-155.6	0	0	0	0	110.9	T31 A98 H99	S29-T31 VanDerWaalsContact C-N 3.29Å; S29-T31 PolarHBondContact O-N 2.9Å; S29-A98 CarbonylContact C-O 3.45Å; S29-A98 VanDerWaalsContact CA-O 3.26Å; S29-A98 WeakPolarHBondContact CA-O 3.37Å; S29-H99 PolarHBondContact OG-CD2 3.26Å
30	G	98.4	Very high	97.9	Very high	40 Å²	40	77.2 Å²	77.2	41%	0.412	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-4.8	-174.9	0	0	0	0	0	115	K28 A98	K28-G30 PolarHBondContact O-N 3.13Å; G30-A98 PolarHBondContact N-O 3.23Å
31	T	98.4	Very high	97.5	Very high	59 Å²	59	82.4 Å²	82.4	36%	0.362	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.9	176	-53.1	0	0	0	0	110.4	C27 K28 S29 A98	C27-T31 HydrophobicContact CB-CG2 4.15Å; K28-T31 WeakPolarHBondContact O-CB 3.14Å; K28-T31 PolarHBondContact O-N 2.87Å; K28-T31 VanDerWaalsContact O-N 3.08Å; K28-T31 PolarHBondContact O-OG1 2.95Å; S29-T31 VanDerWaalsContact C-N 3.29Å; S29-T31 PolarHBondContact O-N 2.9Å; T31-A98 WeakPolarHBondContact O-CB 3.37Å; T31-A98 PolarHBondContact O-N 2.88Å
32	S	98.5	Very high	97.3	Very high	72 Å²	72	78.4 Å²	78.4	50%	0.503	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132	169.7	-64.5	0	0	0	0	110.9	V95 S97	S32-V95 CarbonylContact C-O 3.59Å; S32-V95 WeakPolarHBondContact CA-O 3.43Å; S32-S97 PolarHBondContact OG-N 3.18Å
33	V	98.5	Very high	97.2	Very high	20 Å²	20	83.3 Å²	83.3	12%	0.121	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.5	-177.6	177.9	0	0	0	0	109.8	V25 C27 I35 T94 V95 A98	V25-V33 HydrophobicContact CB-CG1 3.94Å; V25-V33 HydrophobicContact CG1-CG1 3.85Å; V25-V33 HydrophobicContact CG1-CG2 3.87Å; V25-V33 HydrophobicContact CG2-CG1 3.69Å; C27-V33 HydrophobicContact CB-CG2 4.17Å; C27-V33 VanDerWaalsContact SG-CG2 3.57Å; V33-I35 HydrophobicContact CG1-CG1 4.44Å; V33-T94 CarbonylContact O-C 3.58Å; V33-T94 VanDerWaalsContact O-CA 3.29Å; V33-T94 WeakPolarHBondContact O-CA 3.3Å; V33-V95 PolarHBondContact N-O 3.35Å; V33-V95 PolarHBondContact O-N 3.46Å; V33-A98 HydrophobicContact CG2-CB 4.46Å
34	K	98.7	Very high	97.2	Very high	100 Å²	100	77.4 Å²	77.4	44%	0.435	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	175.3	-175.2	-171.9	178.8	-151.2	0	110.6	P22 E36 T92 L93	P22-K34 WeakPolarHBondContact CD-O 3.22Å; K34-E36 IonicContact NZ-OE1 3.69Å; K34-E36 PolarHBondContact NZ-OE1 2.87Å; K34-T92 VanDerWaalsContact CE-CG2 3.48Å; K34-L93 CarbonylContact C-O 3.59Å; K34-L93 WeakPolarHBondContact CA-O 3.46Å
35	I	98.7	Very high	97.2	Very high	14 Å²	14	71.4 Å²	71.4	7%	0.072	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.3	174.9	-53.8	168.5	0	0	0	107.5	V33 W49 T92 L93 Y106	V33-I35 HydrophobicContact CG1-CG1 4.44Å; I35-W49 HydrophobicContact CB-CH2 4.36Å; I35-W49 HydrophobicContact CB-CZ3 4.41Å; I35-W49 HydrophobicContact CG2-CH2 4.09Å; I35-W49 HydrophobicContact CG2-CZ3 4.06Å; I35-T92 CarbonylContact O-C 3.53Å; I35-T92 VanDerWaalsContact O-CA 3.24Å; I35-T92 WeakPolarHBondContact O-CA 3.42Å; I35-L93 PolarHBondContact N-O 3.02Å; I35-L93 PolarHBondContact O-N 3.22Å; I35-Y106 HydrophobicContact CD1-CD2 4.07Å; I35-Y106 HydrophobicContact CD1-CG 4Å
36	E	98.7	Very high	97.2	Very high	45 Å²	45	69 Å²	69	21%	0.21	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.4	175	-54.2	-161.6	158.3	0	0	109.8	Q20 H21 K34 R38 L90 T92	Q20-E36 WeakPolarHBondContact CA-O 3.26Å; H21-E36 PolarHBondContact N-O 3.07Å; H21-E36 PolarHBondContact O-N 2.73Å; K34-E36 IonicContact NZ-OE1 3.69Å; K34-E36 PolarHBondContact NZ-OE1 2.87Å; E36-R38 IonicContact OE2-CZ 3.46Å; E36-R38 IonicContact OE2-NE 3.33Å; E36-R38 PolarHBondContact OE2-NE 3.33Å; E36-R38 IonicContact OE2-NH2 2.77Å; E36-R38 PolarHBondContact OE2-NH2 2.78Å; E36-L90 HydrophobicContact CB-CD1 4.02Å; E36-L90 HydrophobicContact CG-CD1 4.48Å; E36-T92 HydrophobicContact CB-CG2 4.49Å; E36-T92 HydrophobicContact CG-CG2 4.11Å
37	C	98.5	Very high	97.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.7	169.7	-178.5	0	0	0	0	108.5	S19 Q20 M47 W49 L90 S91 C108	S19-C37 CarbonylContact O-C 3.56Å; S19-C37 WeakPolarHBondContact O-CA 3.41Å; Q20-C37 HydrophobicContact CG-CB 4.48Å; C37-M47 HydrophobicContact CB-SD 4.25Å; C37-W49 HydrophobicContact CB-CH2 3.61Å; C37-W49 HydrophobicContact CB-CZ2 3.59Å; C37-L90 WeakPolarHBondContact O-CA 3.39Å; C37-S91 PolarHBondContact N-O 2.82Å; C37-S91 PolarHBondContact O-N 2.88Å; C37-S91 VanDerWaalsContact O-O 3.13Å; C37-C108 HydrophobicContact CB-CB 3.49Å; C37-C108 VanDerWaalsContact CB-CB 3.49Å; C37-C108 WeakPolarHBondContact CB-SG 3.48Å; C37-C108 WeakPolarHBondContact SG-CB 3.47Å; C37-C108 CovalentContact SG-SG 2.01Å; C37-C108 PolarHBondContact SG-SG 3.03Å
38	R	98.3	Very high	97.2	Very high	100 Å²	100	60.9 Å²	60.9	38%	0.377	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.7	-178.4	-66.4	173.3	-178.9	-83.1	-1.8	110.6	V18 S19 E36 T89 L90	V18-R38 CarbonylContact C-O 3.59Å; V18-R38 VanDerWaalsContact CA-O 3.25Å; V18-R38 WeakPolarHBondContact CA-O 3.29Å; S19-R38 PolarHBondContact N-O 2.77Å; S19-R38 PolarHBondContact O-N 3.3Å; S19-R38 PolarHBondContact OG-O 3.01Å; E36-R38 IonicContact OE2-CZ 3.46Å; E36-R38 IonicContact OE2-NE 3.33Å; E36-R38 PolarHBondContact OE2-NE 3.33Å; E36-R38 IonicContact OE2-NH2 2.77Å; E36-R38 PolarHBondContact OE2-NH2 2.78Å; R38-T89 WeakPolarHBondContact CA-O 3.32Å; R38-L90 HydrophobicContact CG-CD1 3.76Å
39	S	96.9	Very high	97.3	Very high	8 Å²	8	52.5 Å²	52.5	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134	166	54.9	0	0	0	0	109.4	F42 L88 T89	S39-F42 VanDerWaalsContact CB-CE1 3.49Å; S39-F42 VanDerWaalsContact CB-CZ 3.43Å; S39-F42 WeakPolarHBondContact CB-O 3.3Å; S39-F42 PolarHBondContact OG-O 2.84Å; S39-L88 PolarHBondContact OG-O 2.94Å; S39-T89 PolarHBondContact N-O 2.84Å; S39-T89 WeakPolarHBondContact OG-CA 3.3Å
40	L	93.5	Very high	97.3	Very high	68 Å²	68	51.4 Å²	51.4	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.1	178.4	-56.2	-175.4	0	0	0	108.2	V17 F42	V17-L40 HydrophobicContact CB-CB 4.41Å; V17-L40 HydrophobicContact CB-CD1 4.37Å; V17-L40 HydrophobicContact CG1-CD1 3.95Å; V17-L40 WeakPolarHBondContact O-CB 3.17Å; V17-L40 PolarHBondContact O-N 2.78Å; L40-F42 WeakPolarHBondContact O-CD1 3.4Å; L40-F42 PolarHBondContact O-N 2.91Å; L40-F42 VanDerWaalsContact O-N 3.1Å
41	D	90.4	Very high	97.3	Very high	172 Å²	172	51.3 Å²	51.3	92%	0.92	26%	0.258	S	S	*	.	S	Bend	trans	64.4	11.4	174.9	-47.5	-46.6	0	0	0	115.7
42	F	93.8	Very high	97.3	Very high	47 Å²	47	51.3 Å²	51.3	21%	0.206	25%	0.254	C	S	.	.	S	Bend	trans	-147.1	157.9	169.8	74.6	-81.2	0	0	0	113	A16 V17 V18 S39 L40 A44 A110	A16-F42 HydrophobicContact CB-CD1 3.82Å; A16-F42 HydrophobicContact CB-CE1 3.64Å; A16-F42 HydrophobicContact CB-CG 4.38Å; A16-F42 HydrophobicContact CB-CZ 4.02Å; V17-F42 WeakPolarHBondContact O-CE1 3.18Å; V18-F42 HydrophobicContact CG1-CZ 4.19Å; S39-F42 VanDerWaalsContact CB-CE1 3.49Å; S39-F42 VanDerWaalsContact CB-CZ 3.43Å; S39-F42 WeakPolarHBondContact CB-O 3.3Å; S39-F42 PolarHBondContact OG-O 2.84Å; L40-F42 WeakPolarHBondContact O-CD1 3.4Å; L40-F42 PolarHBondContact O-N 2.91Å; L40-F42 VanDerWaalsContact O-N 3.1Å; F42-A44 HydrophobicContact CD2-CB 4.34Å; F42-A44 HydrophobicContact CE2-CB 3.83Å; F42-A110 HydrophobicContact CE2-CB 3.88Å; F42-A110 HydrophobicContact CZ-CB 3.73Å
43	Q	95.7	Very high	97.2	Very high	140 Å²	140	51.3 Å²	51.3	65%	0.654	25%	0.245	S	C	*	.			trans	-95.2	117.6	175.3	-67.8	-177.8	105.2	0	0	109.3	L88	Q43-L88 CarbonylContact C-O 3.51Å; Q43-L88 HydrophobicContact CB-CB 4.01Å; Q43-L88 HydrophobicContact CB-CD1 4.3Å; Q43-L88 HydrophobicContact CG-CB 4.24Å; Q43-L88 HydrophobicContact CG-CD1 4.39Å; Q43-L88 VanDerWaalsContact OE1-CD1 3.24Å
44	A	96.5	Very high	97	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.			trans	-97.8	109.5	179	0	0	0	0	0	110.2	F42 T46 M47 H85 L88 A110 R111	F42-A44 HydrophobicContact CD2-CB 4.34Å; F42-A44 HydrophobicContact CE2-CB 3.83Å; A44-T46 PolarHBondContact O-N 2.85Å; A44-M47 HydrophobicContact CB-CE 3.86Å; A44-M47 HydrophobicContact CB-CG 4.15Å; A44-H85 PolarHBondContact O-CE1 2.78Å; A44-H85 PolarHBondContact O-NE2 2.88Å; A44-L88 PolarHBondContact N-O 3.09Å; A44-A110 HydrophobicContact CB-CB 3.63Å; A44-R111 CarbonylContact C-O 3.59Å; A44-R111 VanDerWaalsContact CA-O 3.28Å; A44-R111 WeakPolarHBondContact CA-O 3.26Å
45	T	97.4	Very high	96.9	Very high	79 Å²	79	60.3 Å²	60.3	49%	0.485	29%	0.291	S	S	.	.	S	Bend	trans	-71.9	-23.7	172.7	52.6	0	0	0	0	111.7	N65 E66 L88 R111	T45-N65 WeakPolarHBondContact O-CA 3.19Å; T45-E66 PolarHBondContact O-N 2.01Å; T45-L88 HydrophobicContact CG2-CD2 3.94Å; T45-R111 PolarHBondContact N-O 3.32Å
46	T	98.1	Very high	96.8	Very high	17 Å²	17	65 Å²	65	10%	0.104	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.3	-179.5	-55.8	0	0	0	0	110	A44 F48 T63 S64 N65 A110 R111	A44-T46 PolarHBondContact O-N 2.85Å; T46-F48 HydrophobicContact CG2-CE1 3.93Å; T46-F48 HydrophobicContact CG2-CE2 3.89Å; T46-F48 HydrophobicContact CG2-CZ 3.57Å; T46-T63 HydrophobicContact CG2-CG2 3.48Å; T46-T63 VanDerWaalsContact CG2-CG2 3.48Å; T46-S64 WeakPolarHBondContact CA-O 3.42Å; T46-N65 WeakPolarHBondContact CG2-OD1 3.42Å; T46-N65 PolarHBondContact OG1-OD1 2.78Å; T46-A110 CarbonylContact O-C 3.57Å; T46-A110 WeakPolarHBondContact O-CA 2.95Å; T46-R111 PolarHBondContact N-O 2.73Å; T46-R111 PolarHBondContact O-N 3.26Å
47	M	98.3	Very high	96.7	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.6	168	-66.4	-159.1	-173.6	0	0	110.5	C37 A44 S64 S91 S109 A110	C37-M47 HydrophobicContact CB-SD 4.25Å; A44-M47 HydrophobicContact CB-CE 3.86Å; A44-M47 HydrophobicContact CB-CG 4.15Å; M47-S64 PolarHBondContact N-O 2.78Å; M47-S64 WeakPolarHBondContact O-CA 3.17Å; M47-S64 WeakPolarHBondContact O-CB 3.16Å; M47-S64 PolarHBondContact O-N 3.1Å; M47-S91 WeakPolarHBondContact SD-CB 3.19Å; M47-S109 CarbonylContact C-O 3.56Å; M47-S109 WeakPolarHBondContact CA-O 3.39Å; M47-A110 HydrophobicContact CG-CB 4.03Å
48	F	98.7	Very high	96.7	Very high	45 Å²	45	70.7 Å²	70.7	20%	0.197	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.2	179.3	-54.6	-86.9	0	0	0	109.3	T46 Y50 L60 T63 C108 S109 R111	T46-F48 HydrophobicContact CG2-CE1 3.93Å; T46-F48 HydrophobicContact CG2-CE2 3.89Å; T46-F48 HydrophobicContact CG2-CZ 3.57Å; F48-Y50 HydrophobicContact CB-CD2 4.39Å; F48-Y50 HydrophobicContact CB-CE2 3.49Å; F48-Y50 VanDerWaalsContact CB-CE2 3.49Å; F48-L60 HydrophobicContact CB-CD1 3.94Å; F48-L60 HydrophobicContact CD1-CD1 4.12Å; F48-T63 HydrophobicContact CD1-CG2 4.04Å; F48-T63 HydrophobicContact CE1-CG2 3.79Å; F48-C108 CarbonylContact O-C 3.57Å; F48-C108 WeakPolarHBondContact O-CA 3.09Å; F48-S109 WeakPolarHBondContact CD2-OG 3.46Å; F48-S109 PolarHBondContact N-O 3.12Å; F48-S109 PolarHBondContact O-N 2.71Å; F48-R111 HydrophobicContact CE2-CB 4.11Å
49	W	98.8	Very high	96.7	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.4	174.7	-73.8	96.9	0	0	0	109.9	I35 C37 M61 A62 I83 S91 L93 C108	I35-W49 HydrophobicContact CB-CH2 4.36Å; I35-W49 HydrophobicContact CB-CZ3 4.41Å; I35-W49 HydrophobicContact CG2-CH2 4.09Å; I35-W49 HydrophobicContact CG2-CZ3 4.06Å; C37-W49 HydrophobicContact CB-CH2 3.61Å; C37-W49 HydrophobicContact CB-CZ2 3.59Å; W49-M61 WeakPolarHBondContact O-CB 2.99Å; W49-M61 PolarHBondContact O-N 3.41Å; W49-A62 PolarHBondContact N-O 2.88Å; W49-A62 PolarHBondContact O-N 3.38Å; W49-I83 HydrophobicContact CB-CD1 3.97Å; W49-I83 HydrophobicContact CG-CD1 3.93Å; W49-I83 HydrophobicContact CG-CG1 4.32Å; W49-S91 PolarHBondContact NE1-OG 3.01Å; W49-L93 HydrophobicContact CD2-CB 3.73Å; W49-L93 HydrophobicContact CD2-CD2 4.27Å; W49-L93 HydrophobicContact CE3-CB 3.65Å; W49-L93 HydrophobicContact CE3-CD2 3.72Å; W49-L93 HydrophobicContact CE3-CG 4.32Å; W49-L93 HydrophobicContact CG-CB 4.48Å; W49-L93 HydrophobicContact CH2-CB 3.72Å; W49-L93 HydrophobicContact CZ2-CB 3.81Å; W49-L93 HydrophobicContact CZ3-CB 3.65Å; W49-L93 HydrophobicContact CZ3-CD2 4.12Å; W49-C108 HydrophobicContact CD2-CB 4.2Å; W49-C108 HydrophobicContact CE3-CB 3.91Å; W49-C108 HydrophobicContact CH2-CB 4.09Å; W49-C108 HydrophobicContact CZ2-CB 4.33Å; W49-C108 HydrophobicContact CZ3-CB 3.86Å
50	Y	98.8	Very high	96.8	Very high	54 Å²	54	73.5 Å²	73.5	21%	0.212	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154	-177.7	-55.8	-95.6	0	0	0	111	F48 L58 M59 L60 Y106 I107 S109	F48-Y50 HydrophobicContact CB-CD2 4.39Å; F48-Y50 HydrophobicContact CB-CE2 3.49Å; F48-Y50 VanDerWaalsContact CB-CE2 3.49Å; Y50-L58 HydrophobicContact CD1-CD2 4.06Å; Y50-L58 HydrophobicContact CD1-CG 4Å; Y50-L58 HydrophobicContact CG-CD1 4.29Å; Y50-L58 HydrophobicContact CG-CD2 4.14Å; Y50-L58 HydrophobicContact CG-CG 4.13Å; Y50-M59 CarbonylContact C-O 3.59Å; Y50-M59 WeakPolarHBondContact CA-O 3.24Å; Y50-M59 WeakPolarHBondContact CB-O 3.49Å; Y50-L60 HydrophobicContact CD1-CB 4.1Å; Y50-L60 HydrophobicContact CD1-CD1 4.03Å; Y50-L60 HydrophobicContact CE1-CB 4.04Å; Y50-L60 HydrophobicContact CE1-CD1 3.66Å; Y50-L60 HydrophobicContact CE1-CG 4.45Å; Y50-L60 HydrophobicContact CE2-CD1 4.47Å; Y50-Y106 WeakPolarHBondContact O-CA 3.41Å; Y50-I107 WeakPolarHBondContact CD2-O 3.25Å; Y50-I107 PolarHBondContact N-O 3.17Å; Y50-I107 PolarHBondContact O-N 3.38Å; Y50-S109 WeakPolarHBondContact CE2-OG 3.36Å; Y50-S109 PolarHBondContact OH-OG 2.79Å
51	R	98.3	Very high	97	Very high	37 Å²	37	70.5 Å²	70.5	14%	0.14	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	171.6	-160.2	171.4	-179	-162.7	-10	110	F53 M59 M61 E101 D102 S104 F105 Y106	R51-F53 VanDerWaalsContact NH2-CE1 3.26Å; R51-F53 VanDerWaalsContact NH2-CZ 3.3Å; R51-M59 PolarHBondContact N-O 2.78Å; R51-M59 PolarHBondContact O-N 2.93Å; R51-M61 HydrophobicContact CB-CG 3.7Å; R51-M61 HydrophobicContact CB-SD 3.64Å; R51-M61 HydrophobicContact CG-SD 4.33Å; R51-E101 PolarHBondContact NH2-O 2.83Å; R51-D102 PolarHBondContact NH2-O 3.38Å; R51-S104 WeakPolarHBondContact CG-OG 3.28Å; R51-S104 PolarHBondContact NE-OG 2.86Å; R51-F105 CarbonylContact C-O 3.55Å; R51-F105 WeakPolarHBondContact CA-O 3.39Å; R51-Y106 HydrophobicContact CG-CD1 4.31Å; R51-Y106 HydrophobicContact CG-CE1 3.98Å; R51-Y106 PolarHBondContact NE-OH 3.38Å
52	Q	98.2	Very high	97.4	Very high	60 Å²	60	62.3 Å²	62.3	28%	0.28	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.2	170.8	-177.9	178	35.4	0	0	110.2	Q56 L58 S104 F105	Q52-Q56 WeakPolarHBondContact CG-O 3.34Å; Q52-Q56 PolarHBondContact NE2-O 2.89Å; Q52-L58 HydrophobicContact CB-CD1 3.8Å; Q52-S104 WeakPolarHBondContact O-CB 3.46Å; Q52-F105 HydrophobicContact CB-CB 4.26Å; Q52-F105 PolarHBondContact N-O 2.85Å; Q52-F105 PolarHBondContact O-N 2.85Å
53	F	96.8	Very high	97.7	Very high	72 Å²	72	61.3 Å²	61.3	32%	0.316	31%	0.308	S	S	.	.			trans	-76	154.5	167.8	-70.3	-74.1	0	0	0	110.8	R51 K55 Q56	R51-F53 VanDerWaalsContact NH2-CE1 3.26Å; R51-F53 VanDerWaalsContact NH2-CZ 3.3Å; F53-K55 PolarHBondContact O-N 3.46Å; F53-Q56 HydrophobicContact CB-CB 4.03Å; F53-Q56 HydrophobicContact CB-CG 3.9Å; F53-Q56 PolarHBondContact O-N 2.81Å
54	P	94.7	Very high	97.8	Very high	86 Å²	86	54.7 Å²	54.7	56%	0.558	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	128.6	175.5	-26.7	34.9	0	0	0	111.7	Q56	P54-Q56 PolarHBondContact O-N 2.8Å
55	K	95.4	Very high	97.9	Very high	223 Å²	223	57.5 Å²	57.5	97%	0.97	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	14.7	178.9	-49.8	177.4	179.6	178.7	0	115.1	F53	F53-K55 PolarHBondContact O-N 3.46Å
56	Q	97.1	Very high	97.8	Very high	113 Å²	113	58 Å²	58	53%	0.528	29%	0.289	S	S	.	.	S	Bend	trans	-108.2	169.3	174.3	-60.4	-172.4	24.8	0	0	111.2	Q52 F53 P54	Q52-Q56 WeakPolarHBondContact CG-O 3.34Å; Q52-Q56 PolarHBondContact NE2-O 2.89Å; F53-Q56 HydrophobicContact CB-CB 4.03Å; F53-Q56 HydrophobicContact CB-CG 3.9Å; F53-Q56 PolarHBondContact O-N 2.81Å; P54-Q56 PolarHBondContact O-N 2.8Å
57	S	97.4	Very high	97.6	Very high	82 Å²	82	60.5 Å²	60.5	57%	0.573	32%	0.318	S	S	*	.			trans	-68.5	155.9	174.1	51	0	0	0	0	111.9
58	L	97.7	Very high	97.5	Very high	81 Å²	81	64.1 Å²	64.1	42%	0.424	34%	0.343	S	S	.	.			trans	-72.3	128	169.7	-171.9	68	0	0	0	109.3	Y50 Q52 I107	Y50-L58 HydrophobicContact CD1-CD2 4.06Å; Y50-L58 HydrophobicContact CD1-CG 4Å; Y50-L58 HydrophobicContact CG-CD1 4.29Å; Y50-L58 HydrophobicContact CG-CD2 4.14Å; Y50-L58 HydrophobicContact CG-CG 4.13Å; Q52-L58 HydrophobicContact CB-CD1 3.8Å; L58-I107 HydrophobicContact CD1-CD1 3.84Å
59	M	98.3	Very high	97.5	Very high	115 Å²	115	71.4 Å²	71.4	57%	0.567	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.1	-180	-64.8	-63.5	-67.2	0	0	110.2	Y50 R51	Y50-M59 CarbonylContact C-O 3.59Å; Y50-M59 WeakPolarHBondContact CA-O 3.24Å; Y50-M59 WeakPolarHBondContact CB-O 3.49Å; R51-M59 PolarHBondContact N-O 2.78Å; R51-M59 PolarHBondContact O-N 2.93Å
60	L	98.7	Very high	97.4	Very high	53 Å²	53	72.1 Å²	72.1	28%	0.277	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	132	168.9	-177.5	66.2	0	0	0	108.6	F48 Y50 E73	F48-L60 HydrophobicContact CB-CD1 3.94Å; F48-L60 HydrophobicContact CD1-CD1 4.12Å; Y50-L60 HydrophobicContact CD1-CB 4.1Å; Y50-L60 HydrophobicContact CD1-CD1 4.03Å; Y50-L60 HydrophobicContact CE1-CB 4.04Å; Y50-L60 HydrophobicContact CE1-CD1 3.66Å; Y50-L60 HydrophobicContact CE1-CG 4.45Å; Y50-L60 HydrophobicContact CE2-CD1 4.47Å; L60-E73 HydrophobicContact CB-CG 4.2Å; L60-E73 HydrophobicContact CD2-CG 4.16Å; L60-E73 HydrophobicContact CG-CG 3.98Å; L60-E73 WeakPolarHBondContact O-CG 2.99Å
61	M	98.7	Very high	97.4	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.02	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-45.2	174.2	-61.4	178.7	72.6	0	0	111.4	W49 R51 Y72 E73 V76 F81 Y106	W49-M61 WeakPolarHBondContact O-CB 2.99Å; W49-M61 PolarHBondContact O-N 3.41Å; R51-M61 HydrophobicContact CB-CG 3.7Å; R51-M61 HydrophobicContact CB-SD 3.64Å; R51-M61 HydrophobicContact CG-SD 4.33Å; M61-Y72 WeakPolarHBondContact O-CA 2.96Å; M61-E73 PolarHBondContact O-N 3.38Å; M61-V76 HydrophobicContact CB-CG1 4.35Å; M61-V76 HydrophobicContact CB-CG2 4.32Å; M61-V76 HydrophobicContact CE-CG1 4.01Å; M61-F81 HydrophobicContact CE-CB 3.88Å; M61-F81 HydrophobicContact CE-CD1 3.51Å; M61-F81 HydrophobicContact CE-CD2 3.57Å; M61-F81 HydrophobicContact CE-CE1 3.91Å; M61-F81 HydrophobicContact CE-CE2 3.96Å; M61-F81 HydrophobicContact CE-CG 3.33Å; M61-F81 HydrophobicContact CE-CZ 4.12Å; M61-Y106 HydrophobicContact CE-CE1 4.18Å; M61-Y106 HydrophobicContact SD-CD1 3.96Å; M61-Y106 HydrophobicContact SD-CE1 4.01Å
62	A	98.8	Very high	97.4	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	153.8	-173.4	0	0	0	0	0	112	W49 T71 Y72 I83	W49-A62 PolarHBondContact N-O 2.88Å; W49-A62 PolarHBondContact O-N 3.38Å; A62-T71 CarbonylContact C-O 3.54Å; A62-T71 WeakPolarHBondContact CA-O 3.25Å; A62-T71 VanDerWaalsContact CB-O 3.25Å; A62-T71 WeakPolarHBondContact CB-O 3.29Å; A62-Y72 HydrophobicContact CB-CD1 3.74Å; A62-Y72 HydrophobicContact CB-CE1 4.03Å; A62-Y72 HydrophobicContact CB-CG 4.17Å; A62-I83 HydrophobicContact CB-CD1 3.37Å
63	T	98.8	Very high	97.5	Very high	27 Å²	27	76.1 Å²	76.1	17%	0.166	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.7	169.9	-58.9	0	0	0	0	109.4	T46 F48 A70 T71	T46-T63 HydrophobicContact CG2-CG2 3.48Å; T46-T63 VanDerWaalsContact CG2-CG2 3.48Å; F48-T63 HydrophobicContact CD1-CG2 4.04Å; F48-T63 HydrophobicContact CE1-CG2 3.79Å; T63-A70 CarbonylContact O-C 3.57Å; T63-A70 WeakPolarHBondContact O-CA 3.38Å; T63-T71 PolarHBondContact N-O 3.02Å; T63-T71 PolarHBondContact O-N 2.66Å
64	S	98.3	Very high	97.5	Very high	1 Å²	1	82.2 Å²	82.2	1%	0.007	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	106	-175.3	-161.6	0	0	0	0	109.5	T46 M47 I83 H85	T46-S64 WeakPolarHBondContact CA-O 3.42Å; M47-S64 PolarHBondContact N-O 2.78Å; M47-S64 WeakPolarHBondContact O-CA 3.17Å; M47-S64 WeakPolarHBondContact O-CB 3.16Å; M47-S64 PolarHBondContact O-N 3.1Å; S64-I83 WeakPolarHBondContact OG-CG2 3.19Å; S64-H85 PolarHBondContact O-ND1 3.02Å; S64-H85 WeakPolarHBondContact OG-CB 3.4Å
65	N	97.9	Very high	97.6	Very high	59 Å²	59	81.8 Å²	81.8	32%	0.316	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.1	174.6	-62.2	-55.2	0	0	0	109.4	T45 T46 S68	T45-N65 WeakPolarHBondContact O-CA 3.19Å; T46-N65 WeakPolarHBondContact CG2-OD1 3.42Å; T46-N65 PolarHBondContact OG1-OD1 2.78Å; N65-S68 PolarHBondContact O-N 2.79Å; N65-S68 VanDerWaalsContact O-N 3.12Å
66	E	96	Very high	97.7	Very high	90 Å²	90	72.8 Å²	72.8	42%	0.421	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	142.3	176	-165.4	-76.5	136.7	0	0	110.2	T45 S68 H85 L88	T45-E66 PolarHBondContact O-N 2.01Å; E66-S68 PolarHBondContact O-N 3.02Å; E66-S68 VanDerWaalsContact O-N 3.17Å; E66-H85 PolarHBondContact N-ND1 3.32Å; E66-L88 HydrophobicContact CB-CD2 4.01Å; E66-L88 HydrophobicContact CG-CD2 3.91Å; E66-L88 HydrophobicContact CG-CG 4.24Å
67	G	94.3	Very high	97.8	Very high	68 Å²	68	73.8 Å²	73.8	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	1.2	-175.8	0	0	0	0	0	115.8
68	S	96.5	Very high	97.8	Very high	77 Å²	77	75.9 Å²	75.9	54%	0.538	42%	0.415	S	S	.	.	S	Bend	trans	-127.7	158.7	-177.5	-64.2	0	0	0	0	113.1	N65 E66	N65-S68 PolarHBondContact O-N 2.79Å; N65-S68 VanDerWaalsContact O-N 3.12Å; E66-S68 PolarHBondContact O-N 3.02Å; E66-S68 VanDerWaalsContact O-N 3.17Å
69	K	97	Very high	97.8	Very high	198 Å²	198	77.7 Å²	77.7	86%	0.861	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-67.4	144.1	167.1	-67.4	-176.4	-179.7	-179.9	0	109.6
70	A	98.4	Very high	97.8	Very high	15 Å²	15	73.4 Å²	73.4	12%	0.124	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-61.8	141.2	175.2	0	0	0	0	0	111.6	T63 Y72 I83	T63-A70 CarbonylContact O-C 3.57Å; T63-A70 WeakPolarHBondContact O-CA 3.38Å; A70-Y72 HydrophobicContact CB-CE2 3.91Å; A70-Y72 WeakPolarHBondContact O-CD2 3.22Å; A70-Y72 WeakPolarHBondContact O-CE2 3.5Å; A70-I83 HydrophobicContact CB-CB 3.8Å; A70-I83 HydrophobicContact CB-CD1 4.48Å; A70-I83 HydrophobicContact CB-CG2 3.85Å
71	T	98.6	Very high	97.8	Very high	88 Å²	88	71.3 Å²	71.3	54%	0.54	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.7	173.1	-55.2	0	0	0	0	108.4	A62 T63	A62-T71 CarbonylContact C-O 3.54Å; A62-T71 WeakPolarHBondContact CA-O 3.25Å; A62-T71 VanDerWaalsContact CB-O 3.25Å; A62-T71 WeakPolarHBondContact CB-O 3.29Å; T63-T71 PolarHBondContact N-O 3.02Å; T63-T71 PolarHBondContact O-N 2.66Å
72	Y	98.7	Very high	97.8	Very high	60 Å²	60	75 Å²	75	24%	0.235	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.8	-175.8	-65.8	-94.7	0	0	0	111.3	M61 A62 A70 V76 K78 F81 I83	M61-Y72 WeakPolarHBondContact O-CA 2.96Å; A62-Y72 HydrophobicContact CB-CD1 3.74Å; A62-Y72 HydrophobicContact CB-CE1 4.03Å; A62-Y72 HydrophobicContact CB-CG 4.17Å; A70-Y72 HydrophobicContact CB-CE2 3.91Å; A70-Y72 WeakPolarHBondContact O-CD2 3.22Å; A70-Y72 WeakPolarHBondContact O-CE2 3.5Å; Y72-V76 HydrophobicContact CD1-CB 4.33Å; Y72-V76 HydrophobicContact CD1-CG1 3.71Å; Y72-V76 HydrophobicContact CE1-CG1 4.46Å; Y72-K78 HydrophobicContact CD1-CB 4.38Å; Y72-K78 HydrophobicContact CD2-CB 3.79Å; Y72-K78 HydrophobicContact CE1-CB 4.35Å; Y72-K78 HydrophobicContact CE2-CB 3.75Å; Y72-K78 HydrophobicContact CG-CB 4.12Å; Y72-F81 HydrophobicContact CE1-CB 4.4Å; Y72-F81 WeakPolarHBondContact CE1-O 3.36Å; Y72-F81 PolarHBondContact OH-O 2.8Å; Y72-I83 HydrophobicContact CE1-CD1 3.92Å; Y72-I83 HydrophobicContact CE1-CG1 4.48Å; Y72-I83 PolarHBondContact OH-N 2.89Å
73	E	98.6	Very high	97.8	Very high	86 Å²	86	75.9 Å²	75.9	40%	0.402	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-68.2	159.1	170.6	-66.8	-56.9	133.7	0	0	111.2	L60 M61 G75 V76	L60-E73 HydrophobicContact CB-CG 4.2Å; L60-E73 HydrophobicContact CD2-CG 4.16Å; L60-E73 HydrophobicContact CG-CG 3.98Å; L60-E73 WeakPolarHBondContact O-CG 2.99Å; M61-E73 PolarHBondContact O-N 3.38Å; E73-G75 PolarHBondContact O-N 2.88Å; E73-V76 HydrophobicContact CB-CG2 4.23Å; E73-V76 PolarHBondContact O-N 2.87Å
74	Q	98	Very high	97.7	Very high	200 Å²	200	79 Å²	79	94%	0.935	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	133.4	179.7	-172.3	178.1	9.2	0	0	111.4	V76	Q74-V76 VanDerWaalsContact C-N 3.31Å
75	G	97	Very high	97.7	Very high	77 Å²	77	79.6 Å²	79.6	79%	0.794	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-2	179.3	0	0	0	0	0	114.8	E73	E73-G75 PolarHBondContact O-N 2.88Å
76	V	98	Very high	97.6	Very high	34 Å²	34	79.4 Å²	79.4	21%	0.206	44%	0.441	C	S	.	.			trans	-87	122.5	173.6	-176.3	0	0	0	0	110.4	M61 Y72 E73 Q74 K78 F81	M61-V76 HydrophobicContact CB-CG1 4.35Å; M61-V76 HydrophobicContact CB-CG2 4.32Å; M61-V76 HydrophobicContact CE-CG1 4.01Å; Y72-V76 HydrophobicContact CD1-CB 4.33Å; Y72-V76 HydrophobicContact CD1-CG1 3.71Å; Y72-V76 HydrophobicContact CE1-CG1 4.46Å; E73-V76 HydrophobicContact CB-CG2 4.23Å; E73-V76 PolarHBondContact O-N 2.87Å; Q74-V76 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.87Å; V76-K78 VanDerWaalsContact O-N 3.11Å; V76-F81 HydrophobicContact CG1-CD2 3.77Å; V76-F81 HydrophobicContact CG1-CG 4.48Å
77	E	97.5	Very high	97.7	Very high	135 Å²	135	77.1 Å²	77.1	63%	0.631	44%	0.435	S	S	*	.			trans	-73.9	99.1	178.1	-69.4	176.8	-115.4	0	0	111.2	D79 K80 F81	E77-D79 PolarHBondContact O-N 3.2Å; E77-D79 VanDerWaalsContact O-N 3.16Å; E77-K80 HydrophobicContact CB-CB 3.55Å; E77-K80 WeakPolarHBondContact O-CA 3.41Å; E77-K80 VanDerWaalsContact O-CB 3.28Å; E77-K80 WeakPolarHBondContact O-CB 3.21Å; E77-K80 PolarHBondContact O-N 2.82Å; E77-F81 WeakPolarHBondContact O-CD2 3.45Å; E77-F81 PolarHBondContact O-N 3.33Å; E77-F81 VanDerWaalsContact O-N 3.09Å
78	K	97.6	Very high	97.8	Very high	125 Å²	125	76.3 Å²	76.3	54%	0.543	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.4	-177.2	68.1	-178.5	-177.4	-178.4	0	114.5	Y72 V76 K80	Y72-K78 HydrophobicContact CD1-CB 4.38Å; Y72-K78 HydrophobicContact CD2-CB 3.79Å; Y72-K78 HydrophobicContact CE1-CB 4.35Å; Y72-K78 HydrophobicContact CE2-CB 3.75Å; Y72-K78 HydrophobicContact CG-CB 4.12Å; V76-K78 PolarHBondContact O-N 2.87Å; V76-K78 VanDerWaalsContact O-N 3.11Å; K78-K80 VanDerWaalsContact C-N 3.33Å
79	D	97.6	Very high	97.9	Very high	119 Å²	119	75.4 Å²	75.4	64%	0.636	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.1	-179.3	-58.4	-41.5	0	0	0	111.7	E77 T96	E77-D79 PolarHBondContact O-N 3.2Å; E77-D79 VanDerWaalsContact O-N 3.16Å; D79-T96 PolarHBondContact O-OG1 2.76Å
80	K	98.3	Very high	97.9	Very high	26 Å²	26	67.2 Å²	67.2	11%	0.113	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-36.6	173.1	-176.9	63.5	178.1	-170.3	0	112.3	E77 K78 V95 T96 S97 D102	E77-K80 HydrophobicContact CB-CB 3.55Å; E77-K80 WeakPolarHBondContact O-CA 3.41Å; E77-K80 VanDerWaalsContact O-CB 3.28Å; E77-K80 WeakPolarHBondContact O-CB 3.21Å; E77-K80 PolarHBondContact O-N 2.82Å; K78-K80 VanDerWaalsContact C-N 3.33Å; K80-V95 WeakPolarHBondContact O-CA 3.26Å; K80-T96 VanDerWaalsContact CA-OG1 3.3Å; K80-T96 WeakPolarHBondContact CA-OG1 3.34Å; K80-T96 VanDerWaalsContact CD-O 3.3Å; K80-T96 WeakPolarHBondContact CD-O 3.28Å; K80-T96 VanDerWaalsContact CE-O 3.26Å; K80-T96 WeakPolarHBondContact CE-O 3.47Å; K80-T96 PolarHBondContact NZ-O 2.82Å; K80-T96 PolarHBondContact O-N 2.92Å; K80-T96 PolarHBondContact O-OG1 3.41Å; K80-S97 PolarHBondContact NZ-O 3.12Å; K80-D102 WeakPolarHBondContact CE-OD1 3.33Å; K80-D102 WeakPolarHBondContact CE-OD2 3.2Å; K80-D102 IonicContact NZ-OD1 3.61Å; K80-D102 IonicContact NZ-OD2 2.66Å; K80-D102 PolarHBondContact NZ-OD2 2.85Å
81	F	98.6	Very high	97.9	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.035	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	76.6	-172.2	-61	-65.8	0	0	0	110.6	M61 Y72 V76 E77 I83 L93 T94 V95 Y106	M61-F81 HydrophobicContact CE-CB 3.88Å; M61-F81 HydrophobicContact CE-CD1 3.51Å; M61-F81 HydrophobicContact CE-CD2 3.57Å; M61-F81 HydrophobicContact CE-CE1 3.91Å; M61-F81 HydrophobicContact CE-CE2 3.96Å; M61-F81 HydrophobicContact CE-CG 3.33Å; M61-F81 HydrophobicContact CE-CZ 4.12Å; Y72-F81 HydrophobicContact CE1-CB 4.4Å; Y72-F81 WeakPolarHBondContact CE1-O 3.36Å; Y72-F81 PolarHBondContact OH-O 2.8Å; V76-F81 HydrophobicContact CG1-CD2 3.77Å; V76-F81 HydrophobicContact CG1-CG 4.48Å; E77-F81 WeakPolarHBondContact O-CD2 3.45Å; E77-F81 PolarHBondContact O-N 3.33Å; E77-F81 VanDerWaalsContact O-N 3.09Å; F81-I83 PolarHBondContact O-N 2.86Å; F81-L93 HydrophobicContact CB-CD1 3.9Å; F81-L93 HydrophobicContact CD1-CD1 4.38Å; F81-T94 CarbonylContact C-O 3.48Å; F81-V95 HydrophobicContact CD1-CG1 4.42Å; F81-V95 HydrophobicContact CD1-CG2 4.09Å; F81-V95 HydrophobicContact CE1-CG1 3.98Å; F81-V95 HydrophobicContact CE1-CG2 4.13Å; F81-Y106 HydrophobicContact CD1-CE1 4.2Å; F81-Y106 AromaticContact CE1-CE1 3.85Å; F81-Y106 HydrophobicContact CE1-CE1 3.85Å; F81-Y106 AromaticContact CE1-CZ 3.99Å; F81-Y106 WeakPolarHBondContact CE1-OH 3.48Å
82	L	98.6	Very high	97.9	Very high	81 Å²	81	62.6 Å²	62.6	42%	0.424	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.4	-176	-55.5	177	0	0	0	110.6	L93 T94 T96	L82-L93 CarbonylContact O-C 3.48Å; L82-T94 PolarHBondContact N-O 3.37Å; L82-T94 PolarHBondContact O-N 3.31Å; L82-T96 HydrophobicContact CD1-CG2 3.51Å; L82-T96 HydrophobicContact CG-CG2 3.69Å
83	I	98.7	Very high	97.9	Very high	19 Å²	19	59.8 Å²	59.8	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	175.9	-65.6	164.5	0	0	0	110.9	W49 A62 S64 A70 Y72 F81 T92 L93	W49-I83 HydrophobicContact CB-CD1 3.97Å; W49-I83 HydrophobicContact CG-CD1 3.93Å; W49-I83 HydrophobicContact CG-CG1 4.32Å; A62-I83 HydrophobicContact CB-CD1 3.37Å; S64-I83 WeakPolarHBondContact OG-CG2 3.19Å; A70-I83 HydrophobicContact CB-CB 3.8Å; A70-I83 HydrophobicContact CB-CD1 4.48Å; A70-I83 HydrophobicContact CB-CG2 3.85Å; Y72-I83 HydrophobicContact CE1-CD1 3.92Å; Y72-I83 HydrophobicContact CE1-CG1 4.48Å; Y72-I83 PolarHBondContact OH-N 2.89Å; F81-I83 PolarHBondContact O-N 2.86Å; I83-T92 CarbonylContact C-O 3.58Å; I83-T92 VanDerWaalsContact CA-O 3.26Å; I83-T92 WeakPolarHBondContact CA-O 3.37Å; I83-L93 HydrophobicContact CD1-CD1 4.25Å; I83-L93 HydrophobicContact CG1-CB 4.43Å; I83-L93 HydrophobicContact CG1-CD1 3.66Å
84	N	97.9	Very high	97.9	Very high	94 Å²	94	57.1 Å²	57.1	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.4	175.3	177.9	29.1	0	0	0	110.9	A86 S91 T92	N84-A86 PolarHBondContact O-N 3.41Å; N84-S91 CarbonylContact O-C 3.43Å; N84-S91 WeakPolarHBondContact O-CA 3.44Å; N84-T92 PolarHBondContact N-O 2.78Å; N84-T92 PolarHBondContact O-N 3.46Å; N84-T92 PolarHBondContact O-OG1 3.38Å
85	H	97.7	Very high	98	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	85	171.4	-153	152.7	0	0	0	109.1	A44 S64 E66 S87	A44-H85 PolarHBondContact O-CE1 2.78Å; A44-H85 PolarHBondContact O-NE2 2.88Å; S64-H85 PolarHBondContact O-ND1 3.02Å; S64-H85 WeakPolarHBondContact OG-CB 3.4Å; E66-H85 PolarHBondContact N-ND1 3.32Å; H85-S87 VanDerWaalsContact C-N 3.34Å; H85-S87 PolarHBondContact CD2-O 2.98Å; H85-S87 PolarHBondContact NE2-O 3.37Å; H85-S87 VanDerWaalsContact NE2-O 3.12Å; H85-S87 PolarHBondContact O-N 3.19Å
86	A	96.4	Very high	98	Very high	56 Å²	56	45.5 Å²	45.5	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-25.9	-169.8	0	0	0	0	0	113.6	N84 L90	N84-A86 PolarHBondContact O-N 3.41Å; A86-L90 HydrophobicContact CB-CD2 4.31Å; A86-L90 HydrophobicContact CB-CG 4.44Å; A86-L90 PolarHBondContact N-O 2.93Å
87	S	97.3	Very high	98	Very high	42 Å²	42	46.4 Å²	46.4	29%	0.294	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	169.2	175.8	69.1	0	0	0	0	109.8	H85 T89 L90	H85-S87 VanDerWaalsContact C-N 3.34Å; H85-S87 PolarHBondContact CD2-O 2.98Å; H85-S87 PolarHBondContact NE2-O 3.37Å; H85-S87 VanDerWaalsContact NE2-O 3.12Å; H85-S87 PolarHBondContact O-N 3.19Å; S87-T89 PolarHBondContact O-N 2.74Å; S87-T89 PolarHBondContact OG-N 2.99Å; S87-T89 PolarHBondContact OG-OG1 2.85Å; S87-L90 PolarHBondContact N-O 2.85Å; S87-L90 PolarHBondContact O-N 2.99Å; S87-L90 PolarHBondContact OG-N 3.02Å
88	L	97.6	Very high	98.1	Very high	50 Å²	50	40.4 Å²	40.4	26%	0.262	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-7.3	173.3	-65.6	172.3	0	0	0	115.5	S39 Q43 A44 T45 E66	S39-L88 PolarHBondContact OG-O 2.94Å; Q43-L88 CarbonylContact C-O 3.51Å; Q43-L88 HydrophobicContact CB-CB 4.01Å; Q43-L88 HydrophobicContact CB-CD1 4.3Å; Q43-L88 HydrophobicContact CG-CB 4.24Å; Q43-L88 HydrophobicContact CG-CD1 4.39Å; Q43-L88 VanDerWaalsContact OE1-CD1 3.24Å; A44-L88 PolarHBondContact N-O 3.09Å; T45-L88 HydrophobicContact CG2-CD2 3.94Å; E66-L88 HydrophobicContact CB-CD2 4.01Å; E66-L88 HydrophobicContact CG-CD2 3.91Å; E66-L88 HydrophobicContact CG-CG 4.24Å
89	T	97.3	Very high	98.1	Very high	59 Å²	59	37.8 Å²	37.8	36%	0.362	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	3.7	178.3	62	0	0	0	0	113.9	R38 S39 S87	R38-T89 WeakPolarHBondContact CA-O 3.32Å; S39-T89 PolarHBondContact N-O 2.84Å; S39-T89 WeakPolarHBondContact OG-CA 3.3Å; S87-T89 PolarHBondContact O-N 2.74Å; S87-T89 PolarHBondContact OG-N 2.99Å; S87-T89 PolarHBondContact OG-OG1 2.85Å
90	L	97.9	Very high	98.1	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.131	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	115.2	-175.2	177.9	62.4	0	0	0	111.6	E36 C37 R38 A86 S87 T92	E36-L90 HydrophobicContact CB-CD1 4.02Å; E36-L90 HydrophobicContact CG-CD1 4.48Å; C37-L90 WeakPolarHBondContact O-CA 3.39Å; R38-L90 HydrophobicContact CG-CD1 3.76Å; A86-L90 HydrophobicContact CB-CD2 4.31Å; A86-L90 HydrophobicContact CB-CG 4.44Å; A86-L90 PolarHBondContact N-O 2.93Å; S87-L90 PolarHBondContact N-O 2.85Å; S87-L90 PolarHBondContact O-N 2.99Å; S87-L90 PolarHBondContact OG-N 3.02Å; L90-T92 HydrophobicContact CD1-CG2 3.93Å; L90-T92 HydrophobicContact CG-CG2 4.16Å
91	S	98.4	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.6	160.6	-170.1	0	0	0	0	109.7	C37 M47 W49 N84	C37-S91 PolarHBondContact N-O 2.82Å; C37-S91 PolarHBondContact O-N 2.88Å; C37-S91 VanDerWaalsContact O-O 3.13Å; M47-S91 WeakPolarHBondContact SD-CB 3.19Å; W49-S91 PolarHBondContact NE1-OG 3.01Å; N84-S91 CarbonylContact O-C 3.43Å; N84-S91 WeakPolarHBondContact O-CA 3.44Å
92	T	98.6	Very high	98	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.8	179.6	62.2	0	0	0	0	109.9	K34 I35 E36 I83 N84 L90	K34-T92 VanDerWaalsContact CE-CG2 3.48Å; I35-T92 CarbonylContact O-C 3.53Å; I35-T92 VanDerWaalsContact O-CA 3.24Å; I35-T92 WeakPolarHBondContact O-CA 3.42Å; E36-T92 HydrophobicContact CB-CG2 4.49Å; E36-T92 HydrophobicContact CG-CG2 4.11Å; I83-T92 CarbonylContact C-O 3.58Å; I83-T92 VanDerWaalsContact CA-O 3.26Å; I83-T92 WeakPolarHBondContact CA-O 3.37Å; N84-T92 PolarHBondContact N-O 2.78Å; N84-T92 PolarHBondContact O-N 3.46Å; N84-T92 PolarHBondContact O-OG1 3.38Å; L90-T92 HydrophobicContact CD1-CG2 3.93Å; L90-T92 HydrophobicContact CG-CG2 4.16Å
93	L	98.8	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.1	169.8	169.3	64.6	0	0	0	108	K34 I35 W49 F81 L82 I83 Y106	K34-L93 CarbonylContact C-O 3.59Å; K34-L93 WeakPolarHBondContact CA-O 3.46Å; I35-L93 PolarHBondContact N-O 3.02Å; I35-L93 PolarHBondContact O-N 3.22Å; W49-L93 HydrophobicContact CD2-CB 3.73Å; W49-L93 HydrophobicContact CD2-CD2 4.27Å; W49-L93 HydrophobicContact CE3-CB 3.65Å; W49-L93 HydrophobicContact CE3-CD2 3.72Å; W49-L93 HydrophobicContact CE3-CG 4.32Å; W49-L93 HydrophobicContact CG-CB 4.48Å; W49-L93 HydrophobicContact CH2-CB 3.72Å; W49-L93 HydrophobicContact CZ2-CB 3.81Å; W49-L93 HydrophobicContact CZ3-CB 3.65Å; W49-L93 HydrophobicContact CZ3-CD2 4.12Å; F81-L93 HydrophobicContact CB-CD1 3.9Å; F81-L93 HydrophobicContact CD1-CD1 4.38Å; L82-L93 CarbonylContact O-C 3.48Å; I83-L93 HydrophobicContact CD1-CD1 4.25Å; I83-L93 HydrophobicContact CG1-CB 4.43Å; I83-L93 HydrophobicContact CG1-CD1 3.66Å; L93-Y106 HydrophobicContact CD2-CD1 3.47Å; L93-Y106 VanDerWaalsContact CD2-CD1 3.47Å; L93-Y106 HydrophobicContact CD2-CE1 4.16Å; L93-Y106 HydrophobicContact CD2-CG 4Å
94	T	98.8	Very high	97.8	Very high	31 Å²	31	42.1 Å²	42.1	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.9	170.9	-54.2	0	0	0	0	109.4	V33 F81 L82 T96	V33-T94 CarbonylContact O-C 3.58Å; V33-T94 VanDerWaalsContact O-CA 3.29Å; V33-T94 WeakPolarHBondContact O-CA 3.3Å; F81-T94 CarbonylContact C-O 3.48Å; L82-T94 PolarHBondContact N-O 3.37Å; L82-T94 PolarHBondContact O-N 3.31Å; T94-T96 HydrophobicContact CG2-CG2 4.31Å; T94-T96 PolarHBondContact O-N 3.31Å
95	V	98.7	Very high	97.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	108.1	167.7	-175.2	0	0	0	0	107.1	S32 V33 K80 F81 A98 D102 Y106	S32-V95 CarbonylContact C-O 3.59Å; S32-V95 WeakPolarHBondContact CA-O 3.43Å; V33-V95 PolarHBondContact N-O 3.35Å; V33-V95 PolarHBondContact O-N 3.46Å; K80-V95 WeakPolarHBondContact O-CA 3.26Å; F81-V95 HydrophobicContact CD1-CG1 4.42Å; F81-V95 HydrophobicContact CD1-CG2 4.09Å; F81-V95 HydrophobicContact CE1-CG1 3.98Å; F81-V95 HydrophobicContact CE1-CG2 4.13Å; V95-A98 HydrophobicContact CG1-CB 4.25Å; V95-D102 HydrophobicContact CG1-CB 4.07Å; V95-Y106 HydrophobicContact CG2-CE1 4.06Å; V95-Y106 HydrophobicContact CG2-CE2 3.99Å
96	T	98.5	Very high	97.9	Very high	29 Å²	29	44.5 Å²	44.5	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.1	-177	62.9	0	0	0	0	110.5	D79 K80 L82 T94 A98	D79-T96 PolarHBondContact O-OG1 2.76Å; K80-T96 VanDerWaalsContact CA-OG1 3.3Å; K80-T96 WeakPolarHBondContact CA-OG1 3.34Å; K80-T96 VanDerWaalsContact CD-O 3.3Å; K80-T96 WeakPolarHBondContact CD-O 3.28Å; K80-T96 VanDerWaalsContact CE-O 3.26Å; K80-T96 WeakPolarHBondContact CE-O 3.47Å; K80-T96 PolarHBondContact NZ-O 2.82Å; K80-T96 PolarHBondContact O-N 2.92Å; K80-T96 PolarHBondContact O-OG1 3.41Å; L82-T96 HydrophobicContact CD1-CG2 3.51Å; L82-T96 HydrophobicContact CG-CG2 3.69Å; T94-T96 HydrophobicContact CG2-CG2 4.31Å; T94-T96 PolarHBondContact O-N 3.31Å; T96-A98 PolarHBondContact O-N 3.25Å
97	S	98	Very high	98	Very high	52 Å²	52	44.7 Å²	44.7	36%	0.364	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.6	62.6	177.3	-167	0	0	0	0	112.1	S32 K80 H99	S32-S97 PolarHBondContact OG-N 3.18Å; K80-S97 PolarHBondContact NZ-O 3.12Å; S97-H99 PolarHBondContact O-CE1 3.36Å; S97-H99 VanDerWaalsContact O-CE1 3.26Å; S97-H99 PolarHBondContact O-ND1 3Å; S97-H99 PolarHBondContact OG-CE1 2.97Å
98	A	98.3	Very high	98	Very high	10 Å²	10	43 Å²	43	8%	0.083	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	136.6	-171.3	0	0	0	0	0	111.7	S29 G30 T31 V33 V95 T96 D102	S29-A98 CarbonylContact C-O 3.45Å; S29-A98 VanDerWaalsContact CA-O 3.26Å; S29-A98 WeakPolarHBondContact CA-O 3.37Å; G30-A98 PolarHBondContact N-O 3.23Å; T31-A98 WeakPolarHBondContact O-CB 3.37Å; T31-A98 PolarHBondContact O-N 2.88Å; V33-A98 HydrophobicContact CG2-CB 4.46Å; V95-A98 HydrophobicContact CG1-CB 4.25Å; T96-A98 PolarHBondContact O-N 3.25Å; A98-D102 WeakPolarHBondContact CA-OD2 3.33Å
99	H	98.1	Very high	98	Very high	69 Å²	69	42.3 Å²	42.3	32%	0.319	24%	0.239	S	C	.	.			trans	-126.6	167.7	177.3	-70.6	81.7	0	0	0	110.1	S29 S97 E101 D102	S29-H99 PolarHBondContact OG-CD2 3.26Å; S97-H99 PolarHBondContact O-CE1 3.36Å; S97-H99 VanDerWaalsContact O-CE1 3.26Å; S97-H99 PolarHBondContact O-ND1 3Å; S97-H99 PolarHBondContact OG-CE1 2.97Å; H99-E101 HydrophobicContact CB-CG 4.3Å; H99-E101 WeakPolarHBondContact CB-OE1 3.35Å; H99-E101 WeakPolarHBondContact CB-OE2 3.35Å; H99-E101 IonicContact CG-OE1 2.78Å; H99-E101 PolarHBondContact O-N 3.11Å; H99-E101 VanDerWaalsContact O-N 3.13Å; H99-D102 PolarHBondContact N-OD2 3.18Å; H99-D102 VanDerWaalsContact O-CB 3.3Å; H99-D102 WeakPolarHBondContact O-CB 3.4Å; H99-D102 PolarHBondContact O-N 2.85Å
100	P	97.5	Very high	98	Very high	97 Å²	97	40.8 Å²	40.8	63%	0.63	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-52.2	-35.7	-178.5	-29.9	38	0	0	0	114.7	D102 S103	P100-D102 PolarHBondContact O-N 3.16Å; P100-S103 WeakPolarHBondContact O-CB 3.16Å; P100-S103 PolarHBondContact O-N 3.47Å; P100-S103 PolarHBondContact O-OG 3.05Å
101	E	96.5	Very high	97.7	Very high	121 Å²	121	49.5 Å²	49.5	57%	0.565	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-65.1	-16.9	175.1	64.3	-88.1	-158.5	0	0	114.4	R51 H99 S103	R51-E101 PolarHBondContact NH2-O 2.83Å; H99-E101 HydrophobicContact CB-CG 4.3Å; H99-E101 WeakPolarHBondContact CB-OE1 3.35Å; H99-E101 WeakPolarHBondContact CB-OE2 3.35Å; H99-E101 IonicContact CG-OE1 2.78Å; H99-E101 PolarHBondContact O-N 3.11Å; H99-E101 VanDerWaalsContact O-N 3.13Å; E101-S103 VanDerWaalsContact C-N 3.31Å
102	D	97.6	Very high	97.6	Very high	13 Å²	13	52 Å²	52	7%	0.07	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-79.9	-16.5	173.7	-61.6	-52.9	0	0	0	112.4	R51 K80 V95 A98 H99 P100 S104 Y106	R51-D102 PolarHBondContact NH2-O 3.38Å; K80-D102 WeakPolarHBondContact CE-OD1 3.33Å; K80-D102 WeakPolarHBondContact CE-OD2 3.2Å; K80-D102 IonicContact NZ-OD1 3.61Å; K80-D102 IonicContact NZ-OD2 2.66Å; K80-D102 PolarHBondContact NZ-OD2 2.85Å; V95-D102 HydrophobicContact CG1-CB 4.07Å; A98-D102 WeakPolarHBondContact CA-OD2 3.33Å; H99-D102 PolarHBondContact N-OD2 3.18Å; H99-D102 VanDerWaalsContact O-CB 3.3Å; H99-D102 WeakPolarHBondContact O-CB 3.4Å; H99-D102 PolarHBondContact O-N 2.85Å; P100-D102 PolarHBondContact O-N 3.16Å; D102-S104 PolarHBondContact O-N 3.01Å; D102-S104 PolarHBondContact O-OG 2.77Å; D102-Y106 PolarHBondContact O-OH 2.84Å
103	S	97.5	Very high	97.6	Very high	84 Å²	84	54.3 Å²	54.3	59%	0.587	29%	0.289	S	S	*	.			trans	-59.3	107.4	-176.8	-55.7	0	0	0	0	111.5	P100 E101	P100-S103 WeakPolarHBondContact O-CB 3.16Å; P100-S103 PolarHBondContact O-N 3.47Å; P100-S103 PolarHBondContact O-OG 3.05Å; E101-S103 VanDerWaalsContact C-N 3.31Å
104	S	97.5	Very high	97.5	Very high	29 Å²	29	57.3 Å²	57.3	20%	0.203	31%	0.305	C	S	.	.	S	Bend	trans	-164.6	172.4	-175.4	55.3	0	0	0	0	110.7	R51 Q52 D102 Y106	R51-S104 WeakPolarHBondContact CG-OG 3.28Å; R51-S104 PolarHBondContact NE-OG 2.86Å; Q52-S104 WeakPolarHBondContact O-CB 3.46Å; D102-S104 PolarHBondContact O-N 3.01Å; D102-S104 PolarHBondContact O-OG 2.77Å; S104-Y106 WeakPolarHBondContact OG-CE2 3.36Å; S104-Y106 VanDerWaalsContact OG-CZ 3.23Å; S104-Y106 PolarHBondContact OG-OH 3.2Å
105	F	98.1	Very high	97.5	Very high	123 Å²	123	58.9 Å²	58.9	54%	0.539	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.2	167.4	-60.4	-80	0	0	0	109.4	R51 Q52 I107	R51-F105 CarbonylContact C-O 3.55Å; R51-F105 WeakPolarHBondContact CA-O 3.39Å; Q52-F105 HydrophobicContact CB-CB 4.26Å; Q52-F105 PolarHBondContact N-O 2.85Å; Q52-F105 PolarHBondContact O-N 2.85Å; F105-I107 HydrophobicContact CB-CD1 4.31Å; F105-I107 HydrophobicContact CB-CG1 4.45Å
106	Y	98.4	Very high	97.4	Very high	33 Å²	33	62.3 Å²	62.3	13%	0.129	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.8	172.2	-66.2	-83.2	0	0	0	108.6	Q20 I35 Y50 R51 M61 F81 L93 V95 D102 S104	Q20-Y106 PolarHBondContact NE2-O 2.8Å; I35-Y106 HydrophobicContact CD1-CD2 4.07Å; I35-Y106 HydrophobicContact CD1-CG 4Å; Y50-Y106 WeakPolarHBondContact O-CA 3.41Å; R51-Y106 HydrophobicContact CG-CD1 4.31Å; R51-Y106 HydrophobicContact CG-CE1 3.98Å; R51-Y106 PolarHBondContact NE-OH 3.38Å; M61-Y106 HydrophobicContact CE-CE1 4.18Å; M61-Y106 HydrophobicContact SD-CD1 3.96Å; M61-Y106 HydrophobicContact SD-CE1 4.01Å; F81-Y106 HydrophobicContact CD1-CE1 4.2Å; F81-Y106 AromaticContact CE1-CE1 3.85Å; F81-Y106 HydrophobicContact CE1-CE1 3.85Å; F81-Y106 AromaticContact CE1-CZ 3.99Å; F81-Y106 WeakPolarHBondContact CE1-OH 3.48Å; L93-Y106 HydrophobicContact CD2-CD1 3.47Å; L93-Y106 VanDerWaalsContact CD2-CD1 3.47Å; L93-Y106 HydrophobicContact CD2-CE1 4.16Å; L93-Y106 HydrophobicContact CD2-CG 4Å; V95-Y106 HydrophobicContact CG2-CE1 4.06Å; V95-Y106 HydrophobicContact CG2-CE2 3.99Å; D102-Y106 PolarHBondContact O-OH 2.84Å; S104-Y106 WeakPolarHBondContact OG-CE2 3.36Å; S104-Y106 VanDerWaalsContact OG-CZ 3.23Å; S104-Y106 PolarHBondContact OG-OH 3.2Å
107	I	98.1	Very high	97.3	Very high	60 Å²	60	64.5 Å²	64.5	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.2	-171.2	-61.6	164.2	0	0	0	108	Y50 L58 F105	Y50-I107 WeakPolarHBondContact CD2-O 3.25Å; Y50-I107 PolarHBondContact N-O 3.17Å; Y50-I107 PolarHBondContact O-N 3.38Å; L58-I107 HydrophobicContact CD1-CD1 3.84Å; F105-I107 HydrophobicContact CB-CD1 4.31Å; F105-I107 HydrophobicContact CB-CG1 4.45Å
108	C	98.4	Very high	97.3	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	157.6	172.9	74.4	0	0	0	0	112.2	Q20 C37 F48 W49	Q20-C108 HydrophobicContact CG-CB 4.45Å; Q20-C108 WeakPolarHBondContact CG-SG 3.5Å; C37-C108 HydrophobicContact CB-CB 3.49Å; C37-C108 VanDerWaalsContact CB-CB 3.49Å; C37-C108 WeakPolarHBondContact CB-SG 3.48Å; C37-C108 WeakPolarHBondContact SG-CB 3.47Å; C37-C108 CovalentContact SG-SG 2.01Å; C37-C108 PolarHBondContact SG-SG 3.03Å; F48-C108 CarbonylContact O-C 3.57Å; F48-C108 WeakPolarHBondContact O-CA 3.09Å; W49-C108 HydrophobicContact CD2-CB 4.2Å; W49-C108 HydrophobicContact CE3-CB 3.91Å; W49-C108 HydrophobicContact CH2-CB 4.09Å; W49-C108 HydrophobicContact CZ2-CB 4.33Å; W49-C108 HydrophobicContact CZ3-CB 3.86Å
109	S	97.6	Very high	97.2	Very high	37 Å²	37	69.7 Å²	69.7	26%	0.259	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	170.6	163.8	77.7	0	0	0	0	109.9	M47 F48 Y50	M47-S109 CarbonylContact C-O 3.56Å; M47-S109 WeakPolarHBondContact CA-O 3.39Å; F48-S109 WeakPolarHBondContact CD2-OG 3.46Å; F48-S109 PolarHBondContact N-O 3.12Å; F48-S109 PolarHBondContact O-N 2.71Å; Y50-S109 WeakPolarHBondContact CE2-OG 3.36Å; Y50-S109 PolarHBondContact OH-OG 2.79Å
110	A	96.5	Very high	97.1	Very high	26 Å²	26	69.8 Å²	69.8	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.3	-173.7	0	0	0	0	0	111.9	V18 F42 A44 T46 M47	V18-A110 HydrophobicContact CG1-CB 3.56Å; F42-A110 HydrophobicContact CE2-CB 3.88Å; F42-A110 HydrophobicContact CZ-CB 3.73Å; A44-A110 HydrophobicContact CB-CB 3.63Å; T46-A110 CarbonylContact O-C 3.57Å; T46-A110 WeakPolarHBondContact O-CA 2.95Å; M47-A110 HydrophobicContact CG-CB 4.03Å
111	R	91.6	Very high	97.1	Very high	208 Å²	208	67.3 Å²	67.3	79%	0.785	34%	0.336	S	S	*	.			trans	-134.6	0	174.9	161.8	-178.7	162.9	148	-0.6	110.1	A44 T45 T46 F48	A44-R111 CarbonylContact C-O 3.59Å; A44-R111 VanDerWaalsContact CA-O 3.28Å; A44-R111 WeakPolarHBondContact CA-O 3.26Å; T45-R111 PolarHBondContact N-O 3.32Å; T46-R111 PolarHBondContact N-O 2.73Å; T46-R111 PolarHBondContact O-N 3.26Å; F48-R111 HydrophobicContact CE2-CB 4.11Å

Retrieved 111 of 111 residues in 103.7 ms (Link to these results)

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