A0A075B644_MOUSE Loading...

T cell receptor alpha variable 13-1

AlphaFold DB , UniProt , Accession A0A075B644, Species MOUSE (Mus musculus, Mouse), Gene Trav13-1, Length 110 aa.

						>A0A075B644_MOUSE|A0A075B644|Trav13-1
MKRLLSSLLGLLCTQVCWVKGQQVQQSPASLVLQEGENAELQCNFSTSLNSMQWFYQRPGGSLVSLFYNPSGTKHSGRLTSTTVIKERRSSLHISSSQTTDSGTYLCALE
					

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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	60.1	Low	72.9	Confident	193 Å²	193	124.4 Å²	124.4	95%	0.951	64%	0.639	S	S	*	*				0	-60.2	0	-74	164.8	49.7	0	0	113.7	R3 L4 L5	M1-R3 PolarHBondContact O-N 2.72Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.09Å
2	K	70.3	Confident	72.8	Confident	191 Å²	191	123.3 Å²	123.3	83%	0.83	63%	0.634	S	S	*	*	H	α-helix	trans	-54.8	-43.3	-176.4	-66.9	-179.4	178.9	179.7	0	115	L5 S6	K2-L5 WeakPolarHBondContact O-CB 3.29Å; K2-L5 PolarHBondContact O-N 3.45Å; K2-S6 PolarHBondContact O-N 2.84Å; K2-S6 PolarHBondContact O-OG 3.01Å
3	R	71.2	Confident	72.9	Confident	223 Å²	223	119.2 Å²	119.2	84%	0.842	62%	0.622	S	S	*	*	H	α-helix	trans	-65.9	-35.6	178.3	-68.8	-173.1	178.9	-164.8	-0.3	113.7	M1 S6 S7	M1-R3 PolarHBondContact O-N 2.72Å; R3-S6 WeakPolarHBondContact CA-OG 3.34Å; R3-S6 PolarHBondContact O-OG 3.48Å; R3-S7 PolarHBondContact O-N 2.88Å; R3-S7 VanDerWaalsContact O-N 3.09Å; R3-S7 PolarHBondContact O-OG 3.2Å; R3-S7 VanDerWaalsContact O-OG 3.12Å
4	L	73.6	Confident	72.8	Confident	115 Å²	115	116.2 Å²	116.2	60%	0.602	61%	0.611	S	S	*	*	H	α-helix	trans	-69.1	-38.8	175.6	-71.4	165.1	0	0	0	110.6	M1 S7 L8	M1-L4 PolarHBondContact O-N 3.45Å; M1-L4 VanDerWaalsContact O-N 3.14Å; L4-S7 WeakPolarHBondContact CA-OG 3.47Å; L4-S7 PolarHBondContact O-N 2.88Å; L4-S7 PolarHBondContact O-OG 2.67Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 2.68Å
5	L	72.1	Confident	72.7	Confident	131 Å²	131	118 Å²	118	69%	0.686	62%	0.615	S	S	*	*	H	α-helix	trans	-64	-42.9	176.1	-129.8	102.7	0	0	0	111.8	M1 K2 L8 L9	M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.09Å; K2-L5 WeakPolarHBondContact O-CB 3.29Å; K2-L5 PolarHBondContact O-N 3.45Å; L5-L8 PolarHBondContact O-N 2.9Å; L5-L9 VanDerWaalsContact O-CB 3.32Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 2.9Å
6	S	75	Confident	72.5	Confident	73 Å²	73	117.1 Å²	117.1	51%	0.51	62%	0.616	S	S	.	*	H	α-helix	trans	-68.1	-38	177.8	56.1	0	0	0	0	112.9	K2 R3 G10	K2-S6 PolarHBondContact O-N 2.84Å; K2-S6 PolarHBondContact O-OG 3.01Å; R3-S6 WeakPolarHBondContact CA-OG 3.34Å; R3-S6 PolarHBondContact O-OG 3.48Å; S6-G10 PolarHBondContact O-N 2.79Å
7	S	77.9	Confident	72.6	Confident	56 Å²	56	116.1 Å²	116.1	39%	0.392	62%	0.62	S	S	.	*	H	α-helix	trans	-67.7	-42.4	175.5	54.2	0	0	0	0	111.6	R3 L4 G10 L11	R3-S7 PolarHBondContact O-N 2.88Å; R3-S7 VanDerWaalsContact O-N 3.09Å; R3-S7 PolarHBondContact O-OG 3.2Å; R3-S7 VanDerWaalsContact O-OG 3.12Å; L4-S7 WeakPolarHBondContact CA-OG 3.47Å; L4-S7 PolarHBondContact O-N 2.88Å; L4-S7 PolarHBondContact O-OG 2.67Å; S7-G10 PolarHBondContact O-N 2.91Å; S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 PolarHBondContact O-N 3.41Å
8	L	76.3	Confident	72.7	Confident	117 Å²	117	120.9 Å²	120.9	61%	0.613	63%	0.628	S	S	*	*	H	α-helix	trans	-61.3	-44.5	174.6	-87.2	154.9	0	0	0	111.6	L4 L5 L11 L12	L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 2.68Å; L5-L8 PolarHBondContact O-N 2.9Å; L8-L11 PolarHBondContact O-N 3.11Å; L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.19Å; L8-L12 PolarHBondContact O-N 3.26Å
9	L	73.9	Confident	72.8	Confident	117 Å²	117	120.9 Å²	120.9	61%	0.613	63%	0.633	S	S	*	*	H	α-helix	trans	-64.9	-41.6	177.4	-174.3	63.9	0	0	0	111.9	L5 L12 C13	L5-L9 VanDerWaalsContact O-CB 3.32Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 2.9Å; L9-L12 PolarHBondContact O-N 3.44Å; L9-C13 VanDerWaalsContact O-CB 3.22Å; L9-C13 WeakPolarHBondContact O-CB 3.36Å; L9-C13 PolarHBondContact O-N 2.81Å
10	G	76.1	Confident	72.9	Confident	38 Å²	38	123.9 Å²	123.9	39%	0.392	64%	0.641	S	S	.	*	H	α-helix	trans	-62.7	-46	175.8	0	0	0	0	0	112.6	S6 S7 C13 T14	S6-G10 PolarHBondContact O-N 2.79Å; S7-G10 PolarHBondContact O-N 2.91Å; G10-C13 PolarHBondContact O-N 2.84Å; G10-T14 WeakPolarHBondContact O-CG2 3.31Å; G10-T14 PolarHBondContact O-N 2.97Å
11	L	75.5	Confident	73.1	Confident	114 Å²	114	121.3 Å²	121.3	60%	0.597	65%	0.645	S	S	*	*	H	α-helix	trans	-61	-47.5	174	-90.1	146.4	0	0	0	111.6	S7 L8 C13 T14 Q15	S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 PolarHBondContact O-N 3.41Å; L8-L11 PolarHBondContact O-N 3.11Å; L11-C13 VanDerWaalsContact C-N 3.33Å; L11-C13 PolarHBondContact O-N 3.23Å; L11-T14 PolarHBondContact O-N 2.79Å; L11-T14 PolarHBondContact O-OG1 3.14Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 2.89Å
12	L	72.1	Confident	74.1	Confident	111 Å²	111	117.4 Å²	117.4	58%	0.581	62%	0.624	S	S	*	*	H	α-helix	trans	-61.6	-41.6	177.6	-172.1	67.4	0	0	0	111.7	L8 L9 T14 Q15 V16	L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.19Å; L8-L12 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.44Å; L12-T14 PolarHBondContact O-N 2.91Å; L12-Q15 PolarHBondContact O-N 2.77Å; L12-V16 WeakPolarHBondContact O-CG2 3.29Å; L12-V16 PolarHBondContact O-N 2.86Å; L12-V16 VanDerWaalsContact O-N 3.08Å
13	C	74	Confident	74.9	Confident	70 Å²	70	114.4 Å²	114.4	47%	0.473	61%	0.613	S	S	.	*	H	α-helix	trans	-62.5	-41.8	177.7	-153.7	0	0	0	0	111.4	L9 G10 L11 Q15 V16 C17	L9-C13 VanDerWaalsContact O-CB 3.22Å; L9-C13 WeakPolarHBondContact O-CB 3.36Å; L9-C13 PolarHBondContact O-N 2.81Å; G10-C13 PolarHBondContact O-N 2.84Å; L11-C13 VanDerWaalsContact C-N 3.33Å; L11-C13 PolarHBondContact O-N 3.23Å; C13-Q15 VanDerWaalsContact C-N 3.29Å; C13-Q15 PolarHBondContact O-N 3.03Å; C13-V16 PolarHBondContact O-N 2.82Å; C13-C17 VanDerWaalsContact O-CB 3.29Å; C13-C17 WeakPolarHBondContact O-CB 3.36Å; C13-C17 PolarHBondContact O-N 2.79Å; C13-C17 PolarHBondContact O-SG 2.83Å
14	T	71.6	Confident	75.9	Confident	78 Å²	78	106.3 Å²	106.3	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-62.8	-34.5	177.4	65	0	0	0	0	113.2	G10 L11 L12	G10-T14 WeakPolarHBondContact O-CG2 3.31Å; G10-T14 PolarHBondContact O-N 2.97Å; L11-T14 PolarHBondContact O-N 2.79Å; L11-T14 PolarHBondContact O-OG1 3.14Å; L12-T14 PolarHBondContact O-N 2.91Å
15	Q	70.4	Confident	76.9	Confident	143 Å²	143	106.3 Å²	106.3	67%	0.668	59%	0.585	S	S	*	*	H	α-helix	trans	-73	-43.2	178	-64	-64.1	-67.1	0	0	111.6	L11 L12 C13 W18	L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 2.89Å; L12-Q15 PolarHBondContact O-N 2.77Å; C13-Q15 VanDerWaalsContact C-N 3.29Å; C13-Q15 PolarHBondContact O-N 3.03Å; Q15-W18 PolarHBondContact O-N 2.84Å
16	V	69.2	Low	78.1	Confident	103 Å²	103	103.1 Å²	103.1	62%	0.624	57%	0.567	S	S	*	*	H	α-helix	trans	-71.7	-32.6	-179.5	-179.3	0	0	0	0	111.7	L12 C13 W18	L12-V16 WeakPolarHBondContact O-CG2 3.29Å; L12-V16 PolarHBondContact O-N 2.86Å; L12-V16 VanDerWaalsContact O-N 3.08Å; C13-V16 PolarHBondContact O-N 2.82Å; V16-W18 PolarHBondContact O-N 2.78Å
17	C	74.3	Confident	79.2	Confident	101 Å²	101	101.5 Å²	101.5	68%	0.682	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-9.2	178.9	-71.5	0	0	0	0	114.4	C13	C13-C17 VanDerWaalsContact O-CB 3.29Å; C13-C17 WeakPolarHBondContact O-CB 3.36Å; C13-C17 PolarHBondContact O-N 2.79Å; C13-C17 PolarHBondContact O-SG 2.83Å
18	W	75.8	Confident	80.2	Confident	203 Å²	203	101.5 Å²	101.5	77%	0.769	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	42.2	-177.5	-149.2	-43	0	0	0	113.4	Q15 V16	Q15-W18 PolarHBondContact O-N 2.84Å; V16-W18 PolarHBondContact O-N 2.78Å
19	V	72.9	Confident	81.2	Confident	121 Å²	121	101.1 Å²	101.1	73%	0.733	57%	0.568	S	S	*	*			trans	-93.7	110.7	166.6	-177.9	0	0	0	0	108.9
20	K	76.5	Confident	82.2	Confident	180 Å²	180	100.3 Å²	100.3	78%	0.783	57%	0.572	S	S	*	*			trans	-92.8	108.1	166.8	-69	-171.7	-179.8	-176.9	0	108.4
21	G	77	Confident	83.2	Confident	70 Å²	70	102.5 Å²	102.5	72%	0.722	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-69.2	153.6	171	0	0	0	0	0	111.4
22	Q	79.7	Confident	84.3	Confident	110 Å²	110	103.9 Å²	103.9	51%	0.514	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-84.5	135	169	-66.4	178	-118.6	0	0	109.3	T47	Q22-T47 HydrophobicContact CB-CG2 4.35Å; Q22-T47 HydrophobicContact CG-CG2 3.95Å; Q22-T47 PolarHBondContact NE2-OG1 2.99Å
23	Q	87.2	Confident	85.4	Confident	129 Å²	129	101.3 Å²	101.3	60%	0.603	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-95.3	121.8	-179.5	-171.3	173.9	-27.8	0	0	110.2	S46	Q23-S46 PolarHBondContact O-N 3.08Å
24	V	92.4	Very high	86.5	Confident	53 Å²	53	104.7 Å²	104.7	32%	0.321	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	134.3	171.6	-179.8	0	0	0	0	107.5	C43 N44 F45 C107 L109	V24-C43 WeakPolarHBondContact CG1-SG 3.5Å; V24-N44 CarbonylContact C-O 3.57Å; V24-N44 WeakPolarHBondContact CA-O 3.21Å; V24-F45 HydrophobicContact CG2-CB 4.47Å; V24-C107 WeakPolarHBondContact CG1-SG 3.41Å; V24-L109 HydrophobicContact CG2-CD1 3.59Å; V24-L109 HydrophobicContact CG2-CG 3.72Å
25	Q	95.5	Very high	87.8	Confident	115 Å²	115	107.4 Å²	107.4	54%	0.537	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.5	119.1	178.9	-177.1	176.8	-21.3	0	0	109.6	C43 N44	Q25-C43 WeakPolarHBondContact O-CA 3.48Å; Q25-N44 PolarHBondContact N-O 3.03Å; Q25-N44 PolarHBondContact O-N 2.8Å
26	Q	97.3	Very high	89.1	Confident	64 Å²	64	102.6 Å²	102.6	30%	0.299	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	143.8	176.1	-75.5	-174.7	-121.9	0	0	112	Q42 C43 Y105 C107	Q26-Q42 CarbonylContact C-O 3.54Å; Q26-Q42 VanDerWaalsContact CA-O 3.23Å; Q26-Q42 WeakPolarHBondContact CA-O 3.23Å; Q26-C43 HydrophobicContact CG-CB 4.41Å; Q26-Y105 PolarHBondContact NE2-O 2.97Å; Q26-C107 HydrophobicContact CG-CB 4.41Å; Q26-C107 WeakPolarHBondContact CG-SG 3.46Å; Q26-C107 PolarHBondContact OE1-SG 2.84Å; Q26-C107 VanDerWaalsContact OE1-SG 3.39Å
27	S	98.2	Very high	90.5	Very high	38 Å²	38	102.3 Å²	102.3	27%	0.266	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.6	146.4	174.9	57.6	0	0	0	0	112.6	Q42	S27-Q42 PolarHBondContact N-O 2.89Å; S27-Q42 PolarHBondContact O-N 3.11Å
28	P	98.1	Very high	91.7	Very high	57 Å²	57	102.3 Å²	102.3	37%	0.37	56%	0.563	S	S	.	*			cis	-66.9	163	-12.8	32.4	-37.1	0	0	0	111.3	S30 L31	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 WeakPolarHBondContact CB-O 3.48Å; P28-L31 HydrophobicContact CG-CB 4.2Å; P28-L31 HydrophobicContact CG-CD1 4.31Å
29	A	96.6	Very high	92.7	Very high	109 Å²	109	93 Å²	93	90%	0.901	53%	0.53	S	S	*	.	S	Bend	trans	-69.7	-30	177.9	0	0	0	0	0	112.4
30	S	96.8	Very high	93.9	Very high	99 Å²	99	91.5 Å²	91.5	69%	0.692	52%	0.515	S	S	*	.			trans	-147.2	151.6	173.1	58.4	0	0	0	0	109.1	P28	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 WeakPolarHBondContact CB-O 3.48Å
31	L	96.3	Very high	95	Very high	84 Å²	84	83.9 Å²	83.9	44%	0.44	48%	0.483	S	S	.	.			trans	-136.3	131.2	178.2	-173.2	64.4	0	0	0	108.3	P28 L33 A39	P28-L31 HydrophobicContact CG-CB 4.2Å; P28-L31 HydrophobicContact CG-CD1 4.31Å; L31-L33 HydrophobicContact CD2-CD2 3.56Å; L31-L33 HydrophobicContact CG-CD2 3.88Å; L31-A39 HydrophobicContact CD2-CB 3.69Å
32	V	97.4	Very high	96	Very high	144 Å²	144	82.8 Å²	82.8	87%	0.873	46%	0.459	S	S	*	.			trans	-121.8	124.5	174.2	-179.5	0	0	0	0	106.7
33	L	96.3	Very high	96.8	Very high	57 Å²	57	77.5 Å²	77.5	30%	0.298	43%	0.434	S	S	.	.			trans	-147.9	160.8	-174.4	56.4	84	0	0	0	110	L31 E37 A39 S97	L31-L33 HydrophobicContact CD2-CD2 3.56Å; L31-L33 HydrophobicContact CG-CD2 3.88Å; L33-E37 HydrophobicContact CB-CB 4.16Å; L33-E37 HydrophobicContact CD1-CB 4.35Å; L33-A39 HydrophobicContact CD2-CB 3.65Å; L33-S97 VanDerWaalsContact CD1-CB 3.4Å
34	Q	98	Very high	97.2	Very high	141 Å²	141	74.1 Å²	74.1	66%	0.659	42%	0.42	S	S	*	.			trans	-82.1	155.4	173.6	-60.4	-64.1	-27.8	0	0	111.2	G36 E37	Q34-G36 PolarHBondContact O-N 2.93Å; Q34-E37 HydrophobicContact CB-CG 4.16Å; Q34-E37 VanDerWaalsContact CB-OE2 3.29Å; Q34-E37 WeakPolarHBondContact CB-OE2 3.15Å; Q34-E37 PolarHBondContact N-OE2 3.46Å; Q34-E37 WeakPolarHBondContact O-CB 3.35Å; Q34-E37 PolarHBondContact O-N 2.82Å; Q34-E37 VanDerWaalsContact O-N 3.11Å
35	E	97.7	Very high	97.1	Very high	134 Å²	134	72.3 Å²	72.3	63%	0.626	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	138.2	171.6	-170.8	171.5	-176.5	0	0	110.6	E37 S97	E35-E37 VanDerWaalsContact C-N 3.29Å; E35-E37 PolarHBondContact O-N 3.39Å; E35-S97 WeakPolarHBondContact CA-O 3.46Å; E35-S97 WeakPolarHBondContact CG-O 3.2Å
36	G	98.3	Very high	96.8	Very high	42 Å²	42	69.6 Å²	69.6	43%	0.433	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-15.8	-175.5	0	0	0	0	0	114.9	Q34 S97	Q34-G36 PolarHBondContact O-N 2.93Å; G36-S97 PolarHBondContact N-O 2.85Å
37	E	98.5	Very high	96.1	Very high	98 Å²	98	68.3 Å²	68.3	46%	0.458	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71.3	158.2	172.4	-65.4	-167.9	85.1	0	0	111.7	L33 Q34 E35 S97	L33-E37 HydrophobicContact CB-CB 4.16Å; L33-E37 HydrophobicContact CD1-CB 4.35Å; Q34-E37 HydrophobicContact CB-CG 4.16Å; Q34-E37 VanDerWaalsContact CB-OE2 3.29Å; Q34-E37 WeakPolarHBondContact CB-OE2 3.15Å; Q34-E37 PolarHBondContact N-OE2 3.46Å; Q34-E37 WeakPolarHBondContact O-CB 3.35Å; Q34-E37 PolarHBondContact O-N 2.82Å; Q34-E37 VanDerWaalsContact O-N 3.11Å; E35-E37 VanDerWaalsContact C-N 3.29Å; E35-E37 PolarHBondContact O-N 3.39Å; E37-S97 WeakPolarHBondContact O-CB 3.44Å; E37-S97 PolarHBondContact O-N 2.92Å; E37-S97 PolarHBondContact O-OG 3.41Å
38	N	98.4	Very high	95.1	Very high	100 Å²	100	71.3 Å²	71.3	54%	0.535	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-92.4	137.7	176.1	-65.4	-21.8	0	0	0	110.4	I94 S95 S96	N38-I94 WeakPolarHBondContact CA-O 3.45Å; N38-S95 VanDerWaalsContact OD1-CA 3.29Å; N38-S95 WeakPolarHBondContact OD1-CA 3.02Å; N38-S96 PolarHBondContact OD1-N 2.81Å
39	A	98	Very high	93.6	Very high	9 Å²	9	71 Å²	71	7%	0.074	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.5	173.1	0	0	0	0	0	110.6	L31 L33 H93 I94	L31-A39 HydrophobicContact CD2-CB 3.69Å; L33-A39 HydrophobicContact CD2-CB 3.65Å; A39-H93 CarbonylContact O-C 3.58Å; A39-H93 VanDerWaalsContact O-CA 3.31Å; A39-H93 WeakPolarHBondContact O-CA 3.48Å; A39-H93 PolarHBondContact O-CD2 2.97Å; A39-I94 HydrophobicContact CB-CB 4.11Å; A39-I94 HydrophobicContact CB-CD1 4.46Å; A39-I94 HydrophobicContact CB-CG1 4.46Å; A39-I94 PolarHBondContact N-O 2.69Å; A39-I94 PolarHBondContact O-N 3.2Å
40	E	98.4	Very high	92.8	Very high	88 Å²	88	71.8 Å²	71.8	41%	0.411	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.5	168.5	-166.9	-173.5	153.6	0	0	110.3	Q42	E40-Q42 HydrophobicContact CG-CG 4.49Å; E40-Q42 PolarHBondContact OE1-NE2 2.9Å
41	L	98.5	Very high	92.4	Very high	21 Å²	21	67.2 Å²	67.2	11%	0.11	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.8	170.7	-59.1	174.4	0	0	0	108.9	W54 S91 L92 Y105	L41-W54 HydrophobicContact CB-CH2 3.94Å; L41-W54 HydrophobicContact CB-CZ3 4.06Å; L41-W54 HydrophobicContact CD1-CZ3 4.42Å; L41-S91 CarbonylContact O-C 3.49Å; L41-S91 WeakPolarHBondContact O-CA 3.3Å; L41-S91 WeakPolarHBondContact O-CB 3.22Å; L41-L92 HydrophobicContact CB-CB 4.4Å; L41-L92 HydrophobicContact CD1-CD2 4.43Å; L41-L92 PolarHBondContact N-O 2.87Å; L41-L92 PolarHBondContact O-N 2.88Å; L41-Y105 HydrophobicContact CD1-CD2 4.14Å; L41-Y105 HydrophobicContact CD1-CG 3.79Å
42	Q	98	Very high	92.3	Very high	46 Å²	46	63.2 Å²	63.2	22%	0.215	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.9	-178.6	-64.1	173.7	-0.5	0	0	109.5	Q26 S27 E40 R89 S90	Q26-Q42 CarbonylContact C-O 3.54Å; Q26-Q42 VanDerWaalsContact CA-O 3.23Å; Q26-Q42 WeakPolarHBondContact CA-O 3.23Å; S27-Q42 PolarHBondContact N-O 2.89Å; S27-Q42 PolarHBondContact O-N 3.11Å; E40-Q42 HydrophobicContact CG-CG 4.49Å; E40-Q42 PolarHBondContact OE1-NE2 2.9Å; Q42-R89 VanDerWaalsContact OE1-NH2 3.16Å; Q42-S90 CarbonylContact C-O 3.54Å; Q42-S90 WeakPolarHBondContact CA-O 3.47Å
43	C	96.7	Very high	92.2	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	110.5	-178.1	-177.9	0	0	0	0	108.9	V24 Q25 Q26 M52 W54 R89 S90 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.5Å; Q25-C43 WeakPolarHBondContact O-CA 3.48Å; Q26-C43 HydrophobicContact CG-CB 4.41Å; C43-M52 HydrophobicContact CB-CE 4.26Å; C43-M52 WeakPolarHBondContact SG-CE 3.4Å; C43-M52 VanDerWaalsContact SG-SD 3.65Å; C43-W54 HydrophobicContact CB-CH2 3.76Å; C43-W54 HydrophobicContact CB-CZ2 3.63Å; C43-R89 CarbonylContact O-C 3.57Å; C43-R89 WeakPolarHBondContact O-CA 3.29Å; C43-S90 PolarHBondContact N-O 2.84Å; C43-S90 PolarHBondContact O-N 3.44Å; C43-C107 HydrophobicContact CB-CB 3.58Å; C43-C107 WeakPolarHBondContact CB-SG 3.33Å; C43-C107 WeakPolarHBondContact SG-CB 3.41Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.29Å
44	N	95.3	Very high	92.3	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.8	176.4	-62.9	-35.6	0	0	0	109.7	V24 Q25 R88 R89	V24-N44 CarbonylContact C-O 3.57Å; V24-N44 WeakPolarHBondContact CA-O 3.21Å; Q25-N44 PolarHBondContact N-O 3.03Å; Q25-N44 PolarHBondContact O-N 2.8Å; N44-R88 WeakPolarHBondContact CA-O 3.39Å; N44-R89 VanDerWaalsContact OD1-CG 3.3Å; N44-R89 WeakPolarHBondContact OD1-CG 3.33Å
45	F	91.9	Very high	92.3	Very high	15 Å²	15	50.3 Å²	50.3	7%	0.066	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.6	-177.5	49.1	-86.5	0	0	0	112.8	V24 T47 M52 I85 R88 L109	V24-F45 HydrophobicContact CG2-CB 4.47Å; F45-T47 VanDerWaalsContact CD2-O 3.31Å; F45-T47 WeakPolarHBondContact CD2-O 3.34Å; F45-M52 HydrophobicContact CD1-CE 3.36Å; F45-M52 HydrophobicContact CE1-CE 3.46Å; F45-M52 VanDerWaalsContact CE1-CE 3.46Å; F45-M52 HydrophobicContact CG-CE 4.31Å; F45-M52 HydrophobicContact CZ-CE 4.47Å; F45-I85 HydrophobicContact CZ-CD1 4.06Å; F45-R88 WeakPolarHBondContact CD1-O 3.31Å; F45-R88 HydrophobicContact CD2-CB 3.78Å; F45-R88 HydrophobicContact CD2-CG 4.36Å; F45-R88 WeakPolarHBondContact CE1-O 3.32Å; F45-R88 HydrophobicContact CE2-CB 3.8Å; F45-R88 HydrophobicContact CE2-CG 4.24Å; F45-R88 HydrophobicContact CG-CB 4.17Å; F45-R88 VanDerWaalsContact CZ-CA 3.48Å; F45-R88 HydrophobicContact CZ-CB 4.21Å; F45-R88 PolarHBondContact N-O 3.34Å; F45-R88 WeakPolarHBondContact O-CB 3.15Å; F45-R88 WeakPolarHBondContact O-CD 3.28Å; F45-L109 HydrophobicContact CB-CD1 3.7Å; F45-L109 HydrophobicContact CB-CD2 3.7Å; F45-L109 HydrophobicContact CB-CG 4.13Å; F45-L109 HydrophobicContact CD1-CD2 3.8Å; F45-L109 HydrophobicContact CD2-CD2 3.7Å; F45-L109 HydrophobicContact CE1-CD2 4.28Å; F45-L109 HydrophobicContact CE2-CD2 4.19Å; F45-L109 HydrophobicContact CG-CD1 4.33Å; F45-L109 HydrophobicContact CG-CD2 3.48Å; F45-L109 VanDerWaalsContact CG-CD2 3.48Å; F45-L109 HydrophobicContact CG-CG 4.43Å; F45-L109 HydrophobicContact CZ-CD2 4.45Å
46	S	88.3	Confident	92.2	Very high	59 Å²	59	45.7 Å²	45.7	41%	0.413	26%	0.256	S	S	.	.	S	Bend	trans	-97.5	-20.7	-176	63.4	0	0	0	0	114.4	Q23 R88	Q23-S46 PolarHBondContact O-N 3.08Å; S46-R88 PolarHBondContact O-NH1 3.43Å
47	T	83.4	Confident	92.2	Very high	36 Å²	36	46.7 Å²	46.7	22%	0.221	25%	0.249	C	C	.	.	S	Bend	trans	-95.4	162.1	-173.5	66.6	0	0	0	0	112.8	Q22 F45 L49	Q22-T47 HydrophobicContact CB-CG2 4.35Å; Q22-T47 HydrophobicContact CG-CG2 3.95Å; Q22-T47 PolarHBondContact NE2-OG1 2.99Å; F45-T47 VanDerWaalsContact CD2-O 3.31Å; F45-T47 WeakPolarHBondContact CD2-O 3.34Å; T47-L49 PolarHBondContact O-N 2.91Å
48	S	75.7	Confident	91.7	Very high	102 Å²	102	48 Å²	48	71%	0.713	25%	0.25	S	C	*	.			trans	-84.8	22.5	175.3	60.4	0	0	0	0	113
49	L	68.3	Low	91.1	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.262	26%	0.262	S	S	.	.			trans	-62.6	155	-179.5	-75.2	-162.4	0	0	0	111.7	T47 L109	T47-L49 PolarHBondContact O-N 2.91Å; L49-L109 HydrophobicContact CB-CB 4.45Å; L49-L109 HydrophobicContact CD1-CB 3.96Å
50	N	77.9	Confident	90.6	Very high	125 Å²	125	52.7 Å²	52.7	67%	0.668	30%	0.301	S	S	*	.	S	Bend	trans	-87.7	-15.7	-156.9	-67.1	-19.8	0	0	0	113.4	P70	N50-P70 VanDerWaalsContact O-CA 3.22Å; N50-P70 WeakPolarHBondContact O-CA 2.99Å; N50-P70 WeakPolarHBondContact O-CB 3.03Å
51	S	89.2	Confident	90.1	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.021	30%	0.3	C	S	.	.			trans	-148	144.2	-173.3	34.4	0	0	0	0	114.7	Y68 E110	S51-Y68 VanDerWaalsContact CB-CE2 3.48Å; S51-Y68 VanDerWaalsContact OG-CE2 3.28Å; S51-Y68 WeakPolarHBondContact OG-CE2 3.42Å; S51-Y68 PolarHBondContact OG-OH 3.28Å; S51-E110 PolarHBondContact N-O 2.96Å; S51-E110 PolarHBondContact O-N 3.38Å; S51-E110 VanDerWaalsContact O-N 3.13Å; S51-E110 PolarHBondContact OG-O 3.34Å
52	M	93.9	Very high	89.9	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.8	165.9	-174.4	59.5	60.5	0	0	109.9	C43 F45 N69 T83 S90 C107 L109	C43-M52 HydrophobicContact CB-CE 4.26Å; C43-M52 WeakPolarHBondContact SG-CE 3.4Å; C43-M52 VanDerWaalsContact SG-SD 3.65Å; F45-M52 HydrophobicContact CD1-CE 3.36Å; F45-M52 HydrophobicContact CE1-CE 3.46Å; F45-M52 VanDerWaalsContact CE1-CE 3.46Å; F45-M52 HydrophobicContact CG-CE 4.31Å; F45-M52 HydrophobicContact CZ-CE 4.47Å; M52-N69 PolarHBondContact N-O 2.92Å; M52-N69 PolarHBondContact O-N 3.44Å; M52-T83 HydrophobicContact CB-CG2 4.13Å; M52-S90 WeakPolarHBondContact CG-OG 3.38Å; M52-C107 HydrophobicContact SD-CB 3.65Å; M52-L109 HydrophobicContact CE-CD2 3.57Å
53	Q	95.7	Very high	89.7	Confident	34 Å²	34	54.3 Å²	54.3	16%	0.159	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.9	168	-171.2	148.8	-123.7	0	0	111	F55 S65 F67 C107 A108 E110	Q53-F55 HydrophobicContact CB-CE2 3.97Å; Q53-F55 HydrophobicContact CB-CZ 4.29Å; Q53-F55 HydrophobicContact CG-CD2 4.17Å; Q53-F55 HydrophobicContact CG-CE1 4.08Å; Q53-F55 HydrophobicContact CG-CE2 3.52Å; Q53-F55 HydrophobicContact CG-CZ 3.48Å; Q53-F55 VanDerWaalsContact CG-CZ 3.48Å; Q53-F55 VanDerWaalsContact NE2-CZ 3.25Å; Q53-S65 PolarHBondContact OE1-OG 2.9Å; Q53-F67 CarbonylContact C-O 3.54Å; Q53-F67 VanDerWaalsContact CA-O 3.26Å; Q53-F67 WeakPolarHBondContact CA-O 3.4Å; Q53-F67 WeakPolarHBondContact CG-O 3.14Å; Q53-C107 CarbonylContact O-C 3.59Å; Q53-C107 VanDerWaalsContact O-CA 3.31Å; Q53-C107 WeakPolarHBondContact O-CA 3.49Å; Q53-A108 PolarHBondContact N-O 2.8Å; Q53-A108 PolarHBondContact O-N 2.79Å; Q53-E110 PolarHBondContact NE2-OE2 2.86Å; Q53-E110 VanDerWaalsContact NE2-OE2 3.17Å
54	W	97.7	Very high	89.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.8	174.8	-75.6	96.4	0	0	0	110.4	L41 C43 L66 F67 S81 S90 L92 C107	L41-W54 HydrophobicContact CB-CH2 3.94Å; L41-W54 HydrophobicContact CB-CZ3 4.06Å; L41-W54 HydrophobicContact CD1-CZ3 4.42Å; C43-W54 HydrophobicContact CB-CH2 3.76Å; C43-W54 HydrophobicContact CB-CZ2 3.63Å; W54-L66 HydrophobicContact CB-CB 4.34Å; W54-L66 WeakPolarHBondContact O-CB 3.4Å; W54-L66 PolarHBondContact O-N 2.81Å; W54-F67 PolarHBondContact N-O 2.83Å; W54-F67 PolarHBondContact O-N 2.83Å; W54-S81 VanDerWaalsContact CD1-OG 3.25Å; W54-S90 PolarHBondContact NE1-OG 2.78Å; W54-L92 HydrophobicContact CD2-CB 3.65Å; W54-L92 HydrophobicContact CD2-CD2 4.1Å; W54-L92 HydrophobicContact CD2-CG 4.34Å; W54-L92 HydrophobicContact CE3-CB 3.74Å; W54-L92 HydrophobicContact CE3-CD2 3.73Å; W54-L92 HydrophobicContact CE3-CG 4.33Å; W54-L92 HydrophobicContact CG-CB 4.27Å; W54-L92 HydrophobicContact CG-CD1 4.43Å; W54-L92 HydrophobicContact CG-CD2 4.45Å; W54-L92 HydrophobicContact CH2-CB 3.89Å; W54-L92 HydrophobicContact CZ2-CB 3.83Å; W54-L92 HydrophobicContact CZ3-CB 3.85Å; W54-L92 HydrophobicContact CZ3-CD2 4.26Å; W54-C107 HydrophobicContact CD2-CB 4.03Å; W54-C107 HydrophobicContact CE3-CB 3.84Å; W54-C107 HydrophobicContact CH2-CB 3.93Å; W54-C107 HydrophobicContact CZ2-CB 4.08Å; W54-C107 HydrophobicContact CZ3-CB 3.8Å
55	F	97.6	Very high	89.8	Confident	38 Å²	38	56.2 Å²	56.2	17%	0.167	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.3	179.6	-60.7	-88.3	0	0	0	111.6	Q53 L63 V64 Y105 L106 A108	Q53-F55 HydrophobicContact CB-CE2 3.97Å; Q53-F55 HydrophobicContact CB-CZ 4.29Å; Q53-F55 HydrophobicContact CG-CD2 4.17Å; Q53-F55 HydrophobicContact CG-CE1 4.08Å; Q53-F55 HydrophobicContact CG-CE2 3.52Å; Q53-F55 HydrophobicContact CG-CZ 3.48Å; Q53-F55 VanDerWaalsContact CG-CZ 3.48Å; Q53-F55 VanDerWaalsContact NE2-CZ 3.25Å; F55-L63 HydrophobicContact CB-CD2 4.34Å; F55-L63 HydrophobicContact CD1-CB 4.3Å; F55-V64 CarbonylContact C-O 3.59Å; F55-V64 WeakPolarHBondContact CA-O 3.28Å; F55-Y105 WeakPolarHBondContact O-CA 3.39Å; F55-L106 HydrophobicContact CB-CB 4.44Å; F55-L106 PolarHBondContact N-O 3.14Å; F55-L106 PolarHBondContact O-N 3.09Å; F55-A108 HydrophobicContact CE2-CB 3.94Å
56	Y	97.6	Very high	90	Very high	36 Å²	36	57.7 Å²	57.7	14%	0.141	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.4	163	174.2	-111.3	0	0	0	109.4	R58 V64 S102 Y105	Y56-R58 HydrophobicContact CD1-CG 4.1Å; Y56-R58 HydrophobicContact CE1-CB 4.44Å; Y56-R58 HydrophobicContact CE1-CG 3.9Å; Y56-V64 PolarHBondContact N-O 2.97Å; Y56-V64 PolarHBondContact O-N 3.43Å; Y56-S102 PolarHBondContact OH-O 3.39Å; Y56-Y105 HydrophobicContact CD2-CD1 4.15Å; Y56-Y105 HydrophobicContact CD2-CD2 4.31Å; Y56-Y105 AromaticContact CD2-CE1 3.69Å; Y56-Y105 HydrophobicContact CD2-CE1 3.69Å; Y56-Y105 AromaticContact CD2-CE2 3.85Å; Y56-Y105 HydrophobicContact CD2-CE2 3.85Å; Y56-Y105 HydrophobicContact CD2-CG 4.45Å; Y56-Y105 AromaticContact CD2-CZ 3.53Å; Y56-Y105 HydrophobicContact CE2-CE2 4.07Å; Y56-Y105 AromaticContact CE2-CZ 3.96Å; Y56-Y105 HydrophobicContact CG-CE1 4.33Å
57	Q	96.6	Very high	90.5	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.6	173.4	-168.7	175.5	32.9	0	0	109.6	G61 S62 L63 T104	Q57-G61 PolarHBondContact NE2-O 2.82Å; Q57-S62 WeakPolarHBondContact CA-O 3.43Å; Q57-L63 HydrophobicContact CB-CD2 3.78Å; Q57-L63 HydrophobicContact CG-CD2 3.95Å; Q57-T104 PolarHBondContact N-O 3.29Å
58	R	89.6	Confident	91.1	Very high	124 Å²	124	58.7 Å²	58.7	47%	0.468	34%	0.344	S	S	.	.			trans	-67.9	156.3	176.7	-61	-163.6	-176.9	93.1	-1.9	111.5	Y56 G60 G61 S62 V64	Y56-R58 HydrophobicContact CD1-CG 4.1Å; Y56-R58 HydrophobicContact CE1-CB 4.44Å; Y56-R58 HydrophobicContact CE1-CG 3.9Å; R58-G60 PolarHBondContact O-N 2.93Å; R58-G60 VanDerWaalsContact O-N 3.11Å; R58-G61 PolarHBondContact O-N 2.02Å; R58-S62 PolarHBondContact N-O 3.5Å; R58-S62 PolarHBondContact NH1-OG 3.28Å; R58-V64 HydrophobicContact CG-CG2 3.94Å
59	P	85.1	Confident	91.8	Very high	120 Å²	120	53.9 Å²	53.9	78%	0.779	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	119.6	159.6	-23.9	34	0	0	0	109.5
60	G	87.1	Confident	93	Very high	88 Å²	88	53.8 Å²	53.8	91%	0.907	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.9	-2	-172.1	0	0	0	0	0	115.4	R58	R58-G60 PolarHBondContact O-N 2.93Å; R58-G60 VanDerWaalsContact O-N 3.11Å
61	G	88.3	Confident	93.7	Very high	38 Å²	38	51.7 Å²	51.7	39%	0.392	31%	0.307	S	S	.	.	S	Bend	trans	92.6	-9.3	164	0	0	0	0	0	116.2	Q57 R58 L63	Q57-G61 PolarHBondContact NE2-O 2.82Å; R58-G61 PolarHBondContact O-N 2.02Å; G61-L63 PolarHBondContact O-N 2.85Å
62	S	93.4	Very high	94	Very high	57 Å²	57	53.3 Å²	53.3	40%	0.399	33%	0.325	S	S	.	.			trans	-64.7	133.7	175.9	70.8	0	0	0	0	111.5	Q57 R58	Q57-S62 WeakPolarHBondContact CA-O 3.43Å; R58-S62 PolarHBondContact N-O 3.5Å; R58-S62 PolarHBondContact NH1-OG 3.28Å
63	L	95.1	Very high	94.2	Very high	94 Å²	94	56.8 Å²	56.8	49%	0.492	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.1	175.4	-66.5	176.6	0	0	0	111.2	F55 Q57 G61 L106	F55-L63 HydrophobicContact CB-CD2 4.34Å; F55-L63 HydrophobicContact CD1-CB 4.3Å; Q57-L63 HydrophobicContact CB-CD2 3.78Å; Q57-L63 HydrophobicContact CG-CD2 3.95Å; G61-L63 PolarHBondContact O-N 2.85Å; L63-L106 HydrophobicContact CD2-CD1 3.99Å
64	V	95.8	Very high	94.3	Very high	34 Å²	34	59.4 Å²	59.4	21%	0.206	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.5	174.7	-173.2	0	0	0	0	108	F55 Y56 R58 L66	F55-V64 CarbonylContact C-O 3.59Å; F55-V64 WeakPolarHBondContact CA-O 3.28Å; Y56-V64 PolarHBondContact N-O 2.97Å; Y56-V64 PolarHBondContact O-N 3.43Å; R58-V64 HydrophobicContact CG-CG2 3.94Å; V64-L66 PolarHBondContact O-N 3.13Å
65	S	96.6	Very high	94.3	Very high	63 Å²	63	65.7 Å²	65.7	44%	0.441	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.3	170.2	-176.6	0	0	0	0	109.3	Q53	Q53-S65 PolarHBondContact OE1-OG 2.9Å
66	L	97.7	Very high	94.3	Very high	46 Å²	46	67.4 Å²	67.4	24%	0.241	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-50.3	176.9	-60.7	174.7	0	0	0	110.5	W54 V64 L79 L92 Y105	W54-L66 HydrophobicContact CB-CB 4.34Å; W54-L66 WeakPolarHBondContact O-CB 3.4Å; W54-L66 PolarHBondContact O-N 2.81Å; V64-L66 PolarHBondContact O-N 3.13Å; L66-L79 HydrophobicContact CD1-CD2 3.96Å; L66-L79 HydrophobicContact CD2-CD2 4.04Å; L66-L79 HydrophobicContact CG-CD2 4.46Å; L66-L92 HydrophobicContact CD1-CD2 3.97Å; L66-Y105 HydrophobicContact CD1-CD1 3.8Å; L66-Y105 HydrophobicContact CD1-CE1 3.85Å
67	F	97.5	Very high	94.3	Very high	14 Å²	14	69.7 Å²	69.7	6%	0.061	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	134.8	-178	-64.7	-81.5	0	0	0	110.7	Q53 W54 K74 L79 S81 L92	Q53-F67 CarbonylContact C-O 3.54Å; Q53-F67 VanDerWaalsContact CA-O 3.26Å; Q53-F67 WeakPolarHBondContact CA-O 3.4Å; Q53-F67 WeakPolarHBondContact CG-O 3.14Å; W54-F67 PolarHBondContact N-O 2.83Å; W54-F67 PolarHBondContact O-N 2.83Å; F67-K74 HydrophobicContact CD1-CB 3.82Å; F67-K74 HydrophobicContact CE1-CB 4.01Å; F67-L79 HydrophobicContact CE2-CB 3.71Å; F67-L79 HydrophobicContact CE2-CD2 4.4Å; F67-L79 HydrophobicContact CZ-CB 3.89Å; F67-S81 VanDerWaalsContact CG-CB 3.5Å; F67-L92 HydrophobicContact CD2-CD1 3.94Å; F67-L92 HydrophobicContact CE2-CD1 3.81Å
68	Y	95.9	Very high	94.3	Very high	103 Å²	103	69.3 Å²	69.3	40%	0.404	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.7	156.8	176.1	-98	0	0	0	108.1	S51 P70 K74 E110	S51-Y68 VanDerWaalsContact CB-CE2 3.48Å; S51-Y68 VanDerWaalsContact OG-CE2 3.28Å; S51-Y68 WeakPolarHBondContact OG-CE2 3.42Å; S51-Y68 PolarHBondContact OG-OH 3.28Å; Y68-P70 HydrophobicContact CD1-CG 4.32Å; Y68-P70 HydrophobicContact CE1-CG 3.69Å; Y68-K74 PolarHBondContact O-NZ 2.82Å; Y68-E110 WeakPolarHBondContact CD2-OE2 3.48Å; Y68-E110 HydrophobicContact CE2-CB 4.32Å; Y68-E110 HydrophobicContact CE2-CG 4.37Å; Y68-E110 WeakPolarHBondContact CE2-OE2 3.39Å
69	N	92	Very high	94.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	99.7	-171.3	-170.1	-30.3	0	0	0	111.7	M52 S71 G72 K74 S81 T83	M52-N69 PolarHBondContact N-O 2.92Å; M52-N69 PolarHBondContact O-N 3.44Å; N69-S71 WeakPolarHBondContact OD1-CA 3.39Å; N69-S71 PolarHBondContact OD1-N 2.94Å; N69-S71 PolarHBondContact OD1-O 2.98Å; N69-G72 PolarHBondContact ND2-O 2.93Å; N69-G72 PolarHBondContact OD1-O 3.43Å; N69-K74 HydrophobicContact CB-CD 4.33Å; N69-S81 PolarHBondContact ND2-O 3.32Å; N69-S81 VanDerWaalsContact ND2-O 3.13Å; N69-T83 PolarHBondContact O-OG1 3.17Å
70	P	91.8	Very high	95.4	Very high	49 Å²	49	60.5 Å²	60.5	32%	0.318	39%	0.389	S	S	.	.	S	Bend	trans	-64	-39	172	-24.3	35.2	0	0	0	114.3	N50 Y68 I85	N50-P70 VanDerWaalsContact O-CA 3.22Å; N50-P70 WeakPolarHBondContact O-CA 2.99Å; N50-P70 WeakPolarHBondContact O-CB 3.03Å; Y68-P70 HydrophobicContact CD1-CG 4.32Å; Y68-P70 HydrophobicContact CE1-CG 3.69Å; P70-I85 WeakPolarHBondContact O-CD1 3.26Å; P70-I85 WeakPolarHBondContact O-CG1 3.48Å
71	S	93.7	Very high	95.9	Very high	80 Å²	80	56.3 Å²	56.3	56%	0.559	35%	0.346	S	S	*	.	S	Bend	trans	-170.3	162.2	175.8	62.2	0	0	0	0	111	N69 T83	N69-S71 WeakPolarHBondContact OD1-CA 3.39Å; N69-S71 PolarHBondContact OD1-N 2.94Å; N69-S71 PolarHBondContact OD1-O 2.98Å; S71-T83 CarbonylContact C-O 3.59Å; S71-T83 WeakPolarHBondContact CA-O 3.34Å
72	G	95.6	Very high	96.3	Very high	37 Å²	37	56.2 Å²	56.2	38%	0.381	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-160.6	178.6	0	0	0	0	0	112.1	N69 T82 T83	N69-G72 PolarHBondContact ND2-O 2.93Å; N69-G72 PolarHBondContact OD1-O 3.43Å; G72-T82 CarbonylContact O-C 3.42Å; G72-T82 WeakPolarHBondContact O-CA 3.31Å; G72-T83 PolarHBondContact N-O 3.45Å; G72-T83 PolarHBondContact O-N 3.39Å
73	T	97.8	Very high	96.5	Very high	73 Å²	73	53.6 Å²	53.6	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.5	-172.6	-57.4	0	0	0	0	111	H75 T80 S81 T82	T73-H75 VanDerWaalsContact CG2-NE2 3.33Å; T73-H75 WeakPolarHBondContact CG2-NE2 3.37Å; T73-T80 HydrophobicContact CG2-CG2 3.61Å; T73-S81 CarbonylContact C-O 3.58Å; T73-S81 WeakPolarHBondContact CA-O 3.19Å; T73-T82 WeakPolarHBondContact CG2-OG1 3.49Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.37Å; T73-T82 PolarHBondContact OG1-OG1 3.23Å
74	K	98	Very high	96.5	Very high	90 Å²	90	51.6 Å²	51.6	39%	0.391	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.2	172.1	-70.9	-172.8	175.4	-173.1	0	109.7	F67 Y68 N69 T80 S81	F67-K74 HydrophobicContact CD1-CB 3.82Å; F67-K74 HydrophobicContact CE1-CB 4.01Å; Y68-K74 PolarHBondContact O-NZ 2.82Å; N69-K74 HydrophobicContact CB-CD 4.33Å; K74-T80 CarbonylContact O-C 3.59Å; K74-T80 WeakPolarHBondContact O-CA 3.37Å; K74-S81 PolarHBondContact N-O 3.29Å; K74-S81 PolarHBondContact O-N 3.17Å
75	H	97.9	Very high	96.2	Very high	131 Å²	131	52.6 Å²	52.6	61%	0.606	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.2	-179.7	-58.8	-83.8	0	0	0	110.5	T73 L79 T80	T73-H75 VanDerWaalsContact CG2-NE2 3.33Å; T73-H75 WeakPolarHBondContact CG2-NE2 3.37Å; H75-L79 WeakPolarHBondContact CA-O 3.16Å; H75-T80 WeakPolarHBondContact CE1-CG2 3.11Å; H75-T80 PolarHBondContact CE1-OG1 3.02Å; H75-T80 VanDerWaalsContact ND1-CG2 3.32Å; H75-T80 WeakPolarHBondContact ND1-CG2 3.39Å; H75-T80 PolarHBondContact ND1-OG1 3.13Å
76	S	97.3	Very high	96	Very high	75 Å²	75	59.5 Å²	59.5	52%	0.524	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	103.4	171.2	-175.3	0	0	0	0	108.9	R78 L79	S76-R78 PolarHBondContact O-N 3.04Å; S76-L79 PolarHBondContact N-O 3.26Å; S76-L79 PolarHBondContact O-N 2.85Å
77	G	96.9	Very high	95.8	Very high	84 Å²	84	63.4 Å²	63.4	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-121	-174.4	0	0	0	0	0	111.8	L79	G77-L79 VanDerWaalsContact C-N 3.29Å
78	R	97.4	Very high	95.6	Very high	56 Å²	56	68.8 Å²	68.8	21%	0.211	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.6	179	-65.6	-173.7	-60.8	107.6	2.8	113.9	S76 I94 S95 S96 Q98 D101	S76-R78 PolarHBondContact O-N 3.04Å; R78-I94 WeakPolarHBondContact O-CA 3.43Å; R78-S95 WeakPolarHBondContact CA-OG 3.42Å; R78-S95 WeakPolarHBondContact CB-O 3.28Å; R78-S95 WeakPolarHBondContact CD-O 3.33Å; R78-S95 PolarHBondContact NH1-O 3.47Å; R78-S95 PolarHBondContact O-N 2.95Å; R78-S95 PolarHBondContact O-OG 2.88Å; R78-S96 PolarHBondContact NH1-O 3.38Å; R78-Q98 VanDerWaalsContact NE-NE2 3.18Å; R78-D101 IonicContact CZ-OD1 3.76Å; R78-D101 IonicContact CZ-OD2 3.22Å; R78-D101 IonicContact NH1-OD1 3.88Å; R78-D101 IonicContact NH1-OD2 2.68Å; R78-D101 PolarHBondContact NH1-OD2 3.27Å; R78-D101 IonicContact NH2-OD1 2.77Å; R78-D101 PolarHBondContact NH2-OD1 3Å; R78-D101 IonicContact NH2-OD2 2.86Å; R78-D101 PolarHBondContact NH2-OD2 3.11Å
79	L	98.3	Very high	95.5	Very high	30 Å²	30	68.1 Å²	68.1	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.9	-175.6	-65.7	74.3	0	0	0	110.7	L66 F67 H75 S76 G77 H93 I94	L66-L79 HydrophobicContact CD1-CD2 3.96Å; L66-L79 HydrophobicContact CD2-CD2 4.04Å; L66-L79 HydrophobicContact CG-CD2 4.46Å; F67-L79 HydrophobicContact CE2-CB 3.71Å; F67-L79 HydrophobicContact CE2-CD2 4.4Å; F67-L79 HydrophobicContact CZ-CB 3.89Å; H75-L79 WeakPolarHBondContact CA-O 3.16Å; S76-L79 PolarHBondContact N-O 3.26Å; S76-L79 PolarHBondContact O-N 2.85Å; G77-L79 VanDerWaalsContact C-N 3.29Å; L79-H93 CarbonylContact C-O 3.54Å; L79-H93 WeakPolarHBondContact CA-O 3.32Å; L79-I94 HydrophobicContact CG-CG1 4.39Å
80	T	98.6	Very high	95.8	Very high	28 Å²	28	68.2 Å²	68.2	17%	0.172	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.2	177.4	-61.7	0	0	0	0	109.4	T73 K74 H75 L92 H93	T73-T80 HydrophobicContact CG2-CG2 3.61Å; K74-T80 CarbonylContact O-C 3.59Å; K74-T80 WeakPolarHBondContact O-CA 3.37Å; H75-T80 WeakPolarHBondContact CE1-CG2 3.11Å; H75-T80 PolarHBondContact CE1-OG1 3.02Å; H75-T80 VanDerWaalsContact ND1-CG2 3.32Å; H75-T80 WeakPolarHBondContact ND1-CG2 3.39Å; H75-T80 PolarHBondContact ND1-OG1 3.13Å; T80-L92 CarbonylContact O-C 3.59Å; T80-L92 WeakPolarHBondContact O-CA 3.34Å; T80-H93 PolarHBondContact N-O 3.26Å; T80-H93 PolarHBondContact O-N 3.24Å
81	S	98.2	Very high	96.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.2	173.7	175	0	0	0	0	110	W54 F67 N69 T73 K74 S91	W54-S81 VanDerWaalsContact CD1-OG 3.25Å; F67-S81 VanDerWaalsContact CG-CB 3.5Å; N69-S81 PolarHBondContact ND2-O 3.32Å; N69-S81 VanDerWaalsContact ND2-O 3.13Å; T73-S81 CarbonylContact C-O 3.58Å; T73-S81 WeakPolarHBondContact CA-O 3.19Å; K74-S81 PolarHBondContact N-O 3.29Å; K74-S81 PolarHBondContact O-N 3.17Å; S81-S91 CarbonylContact C-O 3.54Å; S81-S91 VanDerWaalsContact CA-O 3.28Å; S81-S91 WeakPolarHBondContact CA-O 3.46Å
82	T	97.7	Very high	96.3	Very high	36 Å²	36	63.1 Å²	63.1	22%	0.221	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.6	175.8	-62.4	0	0	0	0	109.8	G72 T73 V84 S90 S91	G72-T82 CarbonylContact O-C 3.42Å; G72-T82 WeakPolarHBondContact O-CA 3.31Å; T73-T82 WeakPolarHBondContact CG2-OG1 3.49Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.37Å; T73-T82 PolarHBondContact OG1-OG1 3.23Å; T82-V84 HydrophobicContact CG2-CG2 4.24Å; T82-S90 CarbonylContact O-C 3.55Å; T82-S90 WeakPolarHBondContact O-CA 3.33Å; T82-S90 PolarHBondContact O-OG 2.82Å; T82-S90 VanDerWaalsContact O-OG 3.08Å; T82-S91 PolarHBondContact N-O 3.25Å; T82-S91 PolarHBondContact O-N 3.02Å
83	T	96.3	Very high	96.4	Very high	2 Å²	2	64 Å²	64	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.5	177	-61.6	0	0	0	0	110.3	M52 N69 S71 G72 I85 S90	M52-T83 HydrophobicContact CB-CG2 4.13Å; N69-T83 PolarHBondContact O-OG1 3.17Å; S71-T83 CarbonylContact C-O 3.59Å; S71-T83 WeakPolarHBondContact CA-O 3.34Å; G72-T83 PolarHBondContact N-O 3.45Å; G72-T83 PolarHBondContact O-N 3.39Å; T83-I85 HydrophobicContact CG2-CD1 3.55Å; T83-I85 HydrophobicContact CG2-CG1 4.12Å; T83-S90 PolarHBondContact OG1-OG 3.33Å
84	V	94.9	Very high	96.5	Very high	53 Å²	53	60.8 Å²	60.8	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	91.2	175.8	-170.7	0	0	0	0	108.6	T82 K86 E87 R88 R89	T82-V84 HydrophobicContact CG2-CG2 4.24Å; V84-K86 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 3.34Å; V84-E87 HydrophobicContact CB-CB 4.19Å; V84-E87 HydrophobicContact CB-CG 4.41Å; V84-E87 HydrophobicContact CG1-CB 3.95Å; V84-E87 HydrophobicContact CG1-CG 3.72Å; V84-E87 CarbonylContact O-C 3.56Å; V84-E87 PolarHBondContact O-N 3.08Å; V84-R88 PolarHBondContact O-N 3.02Å; V84-R88 VanDerWaalsContact O-N 3.11Å; V84-R89 PolarHBondContact N-O 2.92Å; V84-R89 PolarHBondContact O-N 3.38Å
85	I	90.4	Very high	96.5	Very high	55 Å²	55	58.3 Å²	58.3	28%	0.282	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58.2	-39.4	-173.9	-64.9	-60.2	0	0	0	112.9	F45 P70 T83 E87 R88	F45-I85 HydrophobicContact CZ-CD1 4.06Å; P70-I85 WeakPolarHBondContact O-CD1 3.26Å; P70-I85 WeakPolarHBondContact O-CG1 3.48Å; T83-I85 HydrophobicContact CG2-CD1 3.55Å; T83-I85 HydrophobicContact CG2-CG1 4.12Å; I85-E87 PolarHBondContact O-N 3.27Å; I85-R88 PolarHBondContact O-N 3.47Å
86	K	91.4	Very high	96.5	Very high	207 Å²	207	55 Å²	55	90%	0.9	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60.7	-32.3	178.2	-69.6	-175.3	178.9	179.2	0	112.7	V84	V84-K86 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 3.34Å
87	E	93.7	Very high	96.5	Very high	129 Å²	129	51.7 Å²	51.7	60%	0.603	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-91.3	-3.9	178.4	-65.2	175.9	-155.5	0	0	112.4	V84 I85 R89	V84-E87 HydrophobicContact CB-CB 4.19Å; V84-E87 HydrophobicContact CB-CG 4.41Å; V84-E87 HydrophobicContact CG1-CB 3.95Å; V84-E87 HydrophobicContact CG1-CG 3.72Å; V84-E87 CarbonylContact O-C 3.56Å; V84-E87 PolarHBondContact O-N 3.08Å; I85-E87 PolarHBondContact O-N 3.27Å; E87-R89 HydrophobicContact CB-CB 4.27Å; E87-R89 PolarHBondContact O-N 2.86Å
88	R	93.2	Very high	96.5	Very high	126 Å²	126	51.7 Å²	51.7	48%	0.475	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	43.7	-174.2	-52.4	179.2	-176	161.9	0	112.6	N44 F45 S46 V84 I85	N44-R88 WeakPolarHBondContact CA-O 3.39Å; F45-R88 WeakPolarHBondContact CD1-O 3.31Å; F45-R88 HydrophobicContact CD2-CB 3.78Å; F45-R88 HydrophobicContact CD2-CG 4.36Å; F45-R88 WeakPolarHBondContact CE1-O 3.32Å; F45-R88 HydrophobicContact CE2-CB 3.8Å; F45-R88 HydrophobicContact CE2-CG 4.24Å; F45-R88 HydrophobicContact CG-CB 4.17Å; F45-R88 VanDerWaalsContact CZ-CA 3.48Å; F45-R88 HydrophobicContact CZ-CB 4.21Å; F45-R88 PolarHBondContact N-O 3.34Å; F45-R88 WeakPolarHBondContact O-CB 3.15Å; F45-R88 WeakPolarHBondContact O-CD 3.28Å; S46-R88 PolarHBondContact O-NH1 3.43Å; V84-R88 PolarHBondContact O-N 3.02Å; V84-R88 VanDerWaalsContact O-N 3.11Å; I85-R88 PolarHBondContact O-N 3.47Å
89	R	95.3	Very high	96.4	Very high	90 Å²	90	53.8 Å²	53.8	34%	0.34	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.1	-175.4	-177.9	169.4	177.2	-175.2	-1.7	110.8	Q42 C43 N44 V84 E87	Q42-R89 VanDerWaalsContact OE1-NH2 3.16Å; C43-R89 CarbonylContact O-C 3.57Å; C43-R89 WeakPolarHBondContact O-CA 3.29Å; N44-R89 VanDerWaalsContact OD1-CG 3.3Å; N44-R89 WeakPolarHBondContact OD1-CG 3.33Å; V84-R89 PolarHBondContact N-O 2.92Å; V84-R89 PolarHBondContact O-N 3.38Å; E87-R89 HydrophobicContact CB-CB 4.27Å; E87-R89 PolarHBondContact O-N 2.86Å
90	S	96.7	Very high	96.1	Very high	1 Å²	1	57 Å²	57	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.3	165.5	-171	0	0	0	0	109.8	Q42 C43 M52 W54 T82 T83	Q42-S90 CarbonylContact C-O 3.54Å; Q42-S90 WeakPolarHBondContact CA-O 3.47Å; C43-S90 PolarHBondContact N-O 2.84Å; C43-S90 PolarHBondContact O-N 3.44Å; M52-S90 WeakPolarHBondContact CG-OG 3.38Å; W54-S90 PolarHBondContact NE1-OG 2.78Å; T82-S90 CarbonylContact O-C 3.55Å; T82-S90 WeakPolarHBondContact O-CA 3.33Å; T82-S90 PolarHBondContact O-OG 2.82Å; T82-S90 VanDerWaalsContact O-OG 3.08Å; T83-S90 PolarHBondContact OG1-OG 3.33Å
91	S	97.9	Very high	95.9	Very high	22 Å²	22	56.8 Å²	56.8	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.3	171.7	61.5	0	0	0	0	111.2	L41 S81 T82	L41-S91 CarbonylContact O-C 3.49Å; L41-S91 WeakPolarHBondContact O-CA 3.3Å; L41-S91 WeakPolarHBondContact O-CB 3.22Å; S81-S91 CarbonylContact C-O 3.54Å; S81-S91 VanDerWaalsContact CA-O 3.28Å; S81-S91 WeakPolarHBondContact CA-O 3.46Å; T82-S91 PolarHBondContact N-O 3.25Å; T82-S91 PolarHBondContact O-N 3.02Å
92	L	98.6	Very high	95.7	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.1	168.5	-179.8	68.4	0	0	0	107.8	L41 W54 L66 F67 T80 Y105	L41-L92 HydrophobicContact CB-CB 4.4Å; L41-L92 HydrophobicContact CD1-CD2 4.43Å; L41-L92 PolarHBondContact N-O 2.87Å; L41-L92 PolarHBondContact O-N 2.88Å; W54-L92 HydrophobicContact CD2-CB 3.65Å; W54-L92 HydrophobicContact CD2-CD2 4.1Å; W54-L92 HydrophobicContact CD2-CG 4.34Å; W54-L92 HydrophobicContact CE3-CB 3.74Å; W54-L92 HydrophobicContact CE3-CD2 3.73Å; W54-L92 HydrophobicContact CE3-CG 4.33Å; W54-L92 HydrophobicContact CG-CB 4.27Å; W54-L92 HydrophobicContact CG-CD1 4.43Å; W54-L92 HydrophobicContact CG-CD2 4.45Å; W54-L92 HydrophobicContact CH2-CB 3.89Å; W54-L92 HydrophobicContact CZ2-CB 3.83Å; W54-L92 HydrophobicContact CZ3-CB 3.85Å; W54-L92 HydrophobicContact CZ3-CD2 4.26Å; L66-L92 HydrophobicContact CD1-CD2 3.97Å; F67-L92 HydrophobicContact CD2-CD1 3.94Å; F67-L92 HydrophobicContact CE2-CD1 3.81Å; T80-L92 CarbonylContact O-C 3.59Å; T80-L92 WeakPolarHBondContact O-CA 3.34Å; L92-Y105 HydrophobicContact CD2-CD1 3.53Å; L92-Y105 HydrophobicContact CD2-CE1 4.1Å; L92-Y105 HydrophobicContact CD2-CG 4.3Å
93	H	98.6	Very high	95.6	Very high	55 Å²	55	61.6 Å²	61.6	26%	0.255	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.7	176.5	175.3	-89.8	0	0	0	110	A39 L79 T80	A39-H93 CarbonylContact O-C 3.58Å; A39-H93 VanDerWaalsContact O-CA 3.31Å; A39-H93 WeakPolarHBondContact O-CA 3.48Å; A39-H93 PolarHBondContact O-CD2 2.97Å; L79-H93 CarbonylContact C-O 3.54Å; L79-H93 WeakPolarHBondContact CA-O 3.32Å; T80-H93 PolarHBondContact N-O 3.26Å; T80-H93 PolarHBondContact O-N 3.24Å
94	I	98.5	Very high	95.6	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.7	176	-49	174.9	0	0	0	107.1	N38 A39 R78 L79 Y105	N38-I94 WeakPolarHBondContact CA-O 3.45Å; A39-I94 HydrophobicContact CB-CB 4.11Å; A39-I94 HydrophobicContact CB-CD1 4.46Å; A39-I94 HydrophobicContact CB-CG1 4.46Å; A39-I94 PolarHBondContact N-O 2.69Å; A39-I94 PolarHBondContact O-N 3.2Å; R78-I94 WeakPolarHBondContact O-CA 3.43Å; L79-I94 HydrophobicContact CG-CG1 4.39Å; I94-Y105 HydrophobicContact CD1-CE1 3.84Å; I94-Y105 HydrophobicContact CD1-CE2 4.05Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.22Å
95	S	98.4	Very high	95.7	Very high	39 Å²	39	63.8 Å²	63.8	27%	0.273	34%	0.342	S	S	.	.	S	Bend	trans	-84.9	144.7	177.7	62.5	0	0	0	0	111.6	N38 R78 S97	N38-S95 VanDerWaalsContact OD1-CA 3.29Å; N38-S95 WeakPolarHBondContact OD1-CA 3.02Å; R78-S95 WeakPolarHBondContact CA-OG 3.42Å; R78-S95 WeakPolarHBondContact CB-O 3.28Å; R78-S95 WeakPolarHBondContact CD-O 3.33Å; R78-S95 PolarHBondContact NH1-O 3.47Å; R78-S95 PolarHBondContact O-N 2.95Å; R78-S95 PolarHBondContact O-OG 2.88Å; S95-S97 PolarHBondContact O-N 2.91Å
96	S	98	Very high	96	Very high	60 Å²	60	64.3 Å²	64.3	42%	0.42	35%	0.345	S	S	.	.	S	Bend	trans	49.8	61.5	173.8	-179.2	0	0	0	0	111.4	N38 R78	N38-S96 PolarHBondContact OD1-N 2.81Å; R78-S96 PolarHBondContact NH1-O 3.38Å
97	S	97.4	Very high	96.2	Very high	6 Å²	6	55 Å²	55	4%	0.042	31%	0.306	C	S	.	.			trans	-54.5	140.5	-173.8	-57.9	0	0	0	0	111.6	L33 E35 G36 E37 S95	L33-S97 VanDerWaalsContact CD1-CB 3.4Å; E35-S97 WeakPolarHBondContact CA-O 3.46Å; E35-S97 WeakPolarHBondContact CG-O 3.2Å; G36-S97 PolarHBondContact N-O 2.85Å; E37-S97 WeakPolarHBondContact O-CB 3.44Å; E37-S97 PolarHBondContact O-N 2.92Å; E37-S97 PolarHBondContact O-OG 3.41Å; S95-S97 PolarHBondContact O-N 2.91Å
98	Q	97	Very high	96.2	Very high	84 Å²	84	50.6 Å²	50.6	39%	0.393	29%	0.292	S	S	.	.			trans	-112.9	156.6	176.8	-64.9	178.1	18.6	0	0	109.5	R78 T100 D101	R78-Q98 VanDerWaalsContact NE-NE2 3.18Å; Q98-T100 PolarHBondContact O-N 3.49Å; Q98-T100 VanDerWaalsContact O-N 3.11Å; Q98-D101 PolarHBondContact N-OD2 2.85Å; Q98-D101 WeakPolarHBondContact O-CB 3.31Å; Q98-D101 PolarHBondContact O-N 3.12Å
99	T	94.4	Very high	96.1	Very high	101 Å²	101	46 Å²	46	62%	0.62	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-56.3	-30.7	175.9	52.7	0	0	0	0	112.6	D101 S102	T99-D101 VanDerWaalsContact C-N 3.29Å; T99-D101 PolarHBondContact O-N 3.47Å; T99-S102 VanDerWaalsContact O-CB 3.29Å; T99-S102 WeakPolarHBondContact O-CB 3.44Å; T99-S102 PolarHBondContact O-N 2.98Å; T99-S102 PolarHBondContact O-OG 2.87Å
100	T	93.7	Very high	95.4	Very high	98 Å²	98	47.9 Å²	47.9	60%	0.601	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-70.4	-15.8	175.6	51.1	0	0	0	0	114.7	Q98	Q98-T100 PolarHBondContact O-N 3.49Å; Q98-T100 VanDerWaalsContact O-N 3.11Å
101	D	94.7	Very high	95.4	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.123	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-78.7	-11.2	173.8	-60.6	-38.6	0	0	0	112.1	R78 Q98 T99 G103 Y105	R78-D101 IonicContact CZ-OD1 3.76Å; R78-D101 IonicContact CZ-OD2 3.22Å; R78-D101 IonicContact NH1-OD1 3.88Å; R78-D101 IonicContact NH1-OD2 2.68Å; R78-D101 PolarHBondContact NH1-OD2 3.27Å; R78-D101 IonicContact NH2-OD1 2.77Å; R78-D101 PolarHBondContact NH2-OD1 3Å; R78-D101 IonicContact NH2-OD2 2.86Å; R78-D101 PolarHBondContact NH2-OD2 3.11Å; Q98-D101 PolarHBondContact N-OD2 2.85Å; Q98-D101 WeakPolarHBondContact O-CB 3.31Å; Q98-D101 PolarHBondContact O-N 3.12Å; T99-D101 VanDerWaalsContact C-N 3.29Å; T99-D101 PolarHBondContact O-N 3.47Å; D101-G103 PolarHBondContact O-N 3.05Å; D101-Y105 WeakPolarHBondContact O-CE2 3.35Å; D101-Y105 PolarHBondContact O-OH 3.09Å
102	S	93.9	Very high	95.2	Very high	88 Å²	88	51.7 Å²	51.7	62%	0.615	31%	0.311	S	S	*	.			trans	-57.2	127.3	178.1	-56.5	0	0	0	0	110.4	Y56 T99	Y56-S102 PolarHBondContact OH-O 3.39Å; T99-S102 VanDerWaalsContact O-CB 3.29Å; T99-S102 WeakPolarHBondContact O-CB 3.44Å; T99-S102 PolarHBondContact O-N 2.98Å; T99-S102 PolarHBondContact O-OG 2.87Å
103	G	94.3	Very high	95.1	Very high	48 Å²	48	54.6 Å²	54.6	50%	0.495	33%	0.328	S	S	.	.	S	Bend	trans	159.9	-169.8	177.1	0	0	0	0	0	112.9	D101	D101-G103 PolarHBondContact O-N 3.05Å
104	T	96.3	Very high	94.9	Very high	71 Å²	71	54.5 Å²	54.5	44%	0.436	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.6	-178	-54.1	0	0	0	0	110	Q57 L106	Q57-T104 PolarHBondContact N-O 3.29Å; T104-L106 HydrophobicContact CG2-CD2 3.97Å; T104-L106 HydrophobicContact CG2-CG 4.17Å
105	Y	97.5	Very high	94.6	Very high	31 Å²	31	57.6 Å²	57.6	12%	0.122	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.1	175.3	-68.9	-96.3	0	0	0	109.7	Q26 L41 F55 Y56 L66 L92 I94 D101	Q26-Y105 PolarHBondContact NE2-O 2.97Å; L41-Y105 HydrophobicContact CD1-CD2 4.14Å; L41-Y105 HydrophobicContact CD1-CG 3.79Å; F55-Y105 WeakPolarHBondContact O-CA 3.39Å; Y56-Y105 HydrophobicContact CD2-CD1 4.15Å; Y56-Y105 HydrophobicContact CD2-CD2 4.31Å; Y56-Y105 AromaticContact CD2-CE1 3.69Å; Y56-Y105 HydrophobicContact CD2-CE1 3.69Å; Y56-Y105 AromaticContact CD2-CE2 3.85Å; Y56-Y105 HydrophobicContact CD2-CE2 3.85Å; Y56-Y105 HydrophobicContact CD2-CG 4.45Å; Y56-Y105 AromaticContact CD2-CZ 3.53Å; Y56-Y105 HydrophobicContact CE2-CE2 4.07Å; Y56-Y105 AromaticContact CE2-CZ 3.96Å; Y56-Y105 HydrophobicContact CG-CE1 4.33Å; L66-Y105 HydrophobicContact CD1-CD1 3.8Å; L66-Y105 HydrophobicContact CD1-CE1 3.85Å; L92-Y105 HydrophobicContact CD2-CD1 3.53Å; L92-Y105 HydrophobicContact CD2-CE1 4.1Å; L92-Y105 HydrophobicContact CD2-CG 4.3Å; I94-Y105 HydrophobicContact CD1-CE1 3.84Å; I94-Y105 HydrophobicContact CD1-CE2 4.05Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.22Å; D101-Y105 WeakPolarHBondContact O-CE2 3.35Å; D101-Y105 PolarHBondContact O-OH 3.09Å
106	L	96.6	Very high	94.4	Very high	65 Å²	65	58.8 Å²	58.8	34%	0.34	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.9	-176.5	-60.1	172.6	0	0	0	109.5	F55 L63 T104	F55-L106 HydrophobicContact CB-CB 4.44Å; F55-L106 PolarHBondContact N-O 3.14Å; F55-L106 PolarHBondContact O-N 3.09Å; L63-L106 HydrophobicContact CD2-CD1 3.99Å; T104-L106 HydrophobicContact CG2-CD2 3.97Å; T104-L106 HydrophobicContact CG2-CG 4.17Å
107	C	95.9	Very high	94.1	Very high	12 Å²	12	58.7 Å²	58.7	8%	0.081	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.9	166.4	72.2	0	0	0	0	109.7	V24 Q26 C43 M52 Q53 W54	V24-C107 WeakPolarHBondContact CG1-SG 3.41Å; Q26-C107 HydrophobicContact CG-CB 4.41Å; Q26-C107 WeakPolarHBondContact CG-SG 3.46Å; Q26-C107 PolarHBondContact OE1-SG 2.84Å; Q26-C107 VanDerWaalsContact OE1-SG 3.39Å; C43-C107 HydrophobicContact CB-CB 3.58Å; C43-C107 WeakPolarHBondContact CB-SG 3.33Å; C43-C107 WeakPolarHBondContact SG-CB 3.41Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.29Å; M52-C107 HydrophobicContact SD-CB 3.65Å; Q53-C107 CarbonylContact O-C 3.59Å; Q53-C107 VanDerWaalsContact O-CA 3.31Å; Q53-C107 WeakPolarHBondContact O-CA 3.49Å; W54-C107 HydrophobicContact CD2-CB 4.03Å; W54-C107 HydrophobicContact CE3-CB 3.84Å; W54-C107 HydrophobicContact CH2-CB 3.93Å; W54-C107 HydrophobicContact CZ2-CB 4.08Å; W54-C107 HydrophobicContact CZ3-CB 3.8Å
108	A	93.8	Very high	93.9	Very high	37 Å²	37	62.8 Å²	62.8	31%	0.306	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.1	173.8	0	0	0	0	0	110.1	Q53 F55	Q53-A108 PolarHBondContact N-O 2.8Å; Q53-A108 PolarHBondContact O-N 2.79Å; F55-A108 HydrophobicContact CE2-CB 3.94Å
109	L	91.2	Very high	93.6	Very high	30 Å²	30	61 Å²	61	16%	0.157	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142	169.1	-58.7	168.4	0	0	0	109.5	V24 F45 L49 M52	V24-L109 HydrophobicContact CG2-CD1 3.59Å; V24-L109 HydrophobicContact CG2-CG 3.72Å; F45-L109 HydrophobicContact CB-CD1 3.7Å; F45-L109 HydrophobicContact CB-CD2 3.7Å; F45-L109 HydrophobicContact CB-CG 4.13Å; F45-L109 HydrophobicContact CD1-CD2 3.8Å; F45-L109 HydrophobicContact CD2-CD2 3.7Å; F45-L109 HydrophobicContact CE1-CD2 4.28Å; F45-L109 HydrophobicContact CE2-CD2 4.19Å; F45-L109 HydrophobicContact CG-CD1 4.33Å; F45-L109 HydrophobicContact CG-CD2 3.48Å; F45-L109 VanDerWaalsContact CG-CD2 3.48Å; F45-L109 HydrophobicContact CG-CG 4.43Å; F45-L109 HydrophobicContact CZ-CD2 4.45Å; L49-L109 HydrophobicContact CB-CB 4.45Å; L49-L109 HydrophobicContact CD1-CB 3.96Å; M52-L109 HydrophobicContact CE-CD2 3.57Å
110	E	81.1	Confident	93.5	Very high	128 Å²	128	57.4 Å²	57.4	60%	0.598	35%	0.352	S	S	*	.			trans	-126.6	0	171.1	-168.3	171.7	177.2	0	0	110.3	S51 Q53 Y68	S51-E110 PolarHBondContact N-O 2.96Å; S51-E110 PolarHBondContact O-N 3.38Å; S51-E110 VanDerWaalsContact O-N 3.13Å; S51-E110 PolarHBondContact OG-O 3.34Å; Q53-E110 PolarHBondContact NE2-OE2 2.86Å; Q53-E110 VanDerWaalsContact NE2-OE2 3.17Å; Y68-E110 WeakPolarHBondContact CD2-OE2 3.48Å; Y68-E110 HydrophobicContact CE2-CB 4.32Å; Y68-E110 HydrophobicContact CE2-CG 4.37Å; Y68-E110 WeakPolarHBondContact CE2-OE2 3.39Å

Retrieved 110 of 110 residues in 87.1 ms (Link to these results)

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