A0A075B649_MOUSE Loading...

T cell receptor alpha variable 13-2

AlphaFold DB , UniProt , Accession A0A075B649, Species MOUSE (Mus musculus, Mouse), Gene Trav13-2, Length 110 aa.

						>A0A075B649_MOUSE|A0A075B649|Trav13-2
MKRLLCSLLGLLCTQVCWVKGQQVQQSPASLVLQEGENAELQCNFSSTATRLQWFYQHPGGRLVSLFYNPSGTKHTGRLTSTTVTNERRSSLHISSSQTTDSGTYFCAID
					

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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	64.5	Low	80.9	Confident	207 Å²	207	131.5 Å²	131.5	100%	1.02	68%	0.679	S	S	*	*				0	-59.5	0	-67.2	173.9	66.6	0	0	113.4	R3 L4 L5	M1-R3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-L5 PolarHBondContact O-N 3.5Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2	K	77.1	Confident	81	Confident	181 Å²	181	129.8 Å²	129.8	79%	0.787	67%	0.671	S	S	*	*	H	α-helix	trans	-53.5	-44.7	-178.2	-72.4	-179.1	176.1	-178.9	0	115.2	L5 C6	K2-L5 PolarHBondContact O-N 2.84Å; K2-C6 PolarHBondContact O-N 3.35Å; K2-C6 PolarHBondContact O-SG 3.29Å
3	R	80.2	Confident	81.2	Confident	224 Å²	224	125.1 Å²	125.1	85%	0.845	66%	0.655	S	S	*	*	H	α-helix	trans	-62.4	-43.6	179.5	-67.6	-173	179.6	-153.2	0.3	113.1	M1 L5 C6 S7	M1-R3 PolarHBondContact O-N 2.99Å; R3-L5 VanDerWaalsContact C-N 3.32Å; R3-L5 PolarHBondContact O-N 2.91Å; R3-C6 PolarHBondContact O-N 3.03Å; R3-S7 PolarHBondContact O-N 3.31Å; R3-S7 PolarHBondContact O-OG 2.73Å
4	L	81.8	Confident	81.1	Confident	133 Å²	133	121.9 Å²	121.9	70%	0.696	64%	0.644	S	S	*	*	H	α-helix	trans	-62.3	-41	176.8	-72.6	162.2	0	0	0	111.2	M1 S7 L8	M1-L4 PolarHBondContact O-N 3.45Å; L4-S7 PolarHBondContact O-N 3.15Å; L4-L8 WeakPolarHBondContact O-CB 2.99Å; L4-L8 PolarHBondContact O-N 3.15Å
5	L	81.7	Confident	81.1	Confident	127 Å²	127	122.7 Å²	122.7	67%	0.665	64%	0.643	S	S	*	*	H	α-helix	trans	-64	-42.7	176.9	-163.5	75.3	0	0	0	112	M1 K2 R3 L8 L9	M1-L5 PolarHBondContact O-N 3.5Å; M1-L5 VanDerWaalsContact O-N 3.15Å; K2-L5 PolarHBondContact O-N 2.84Å; R3-L5 VanDerWaalsContact C-N 3.32Å; R3-L5 PolarHBondContact O-N 2.91Å; L5-L8 PolarHBondContact O-N 3.44Å; L5-L9 VanDerWaalsContact O-CB 3.28Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 PolarHBondContact O-N 3.3Å
6	C	81.2	Confident	80.8	Confident	89 Å²	89	121.4 Å²	121.4	60%	0.601	64%	0.641	S	S	*	*	H	α-helix	trans	-64.1	-42.2	175.3	-71.3	0	0	0	0	112.5	K2 R3 L9 G10	K2-C6 PolarHBondContact O-N 3.35Å; K2-C6 PolarHBondContact O-SG 3.29Å; R3-C6 PolarHBondContact O-N 3.03Å; C6-L9 PolarHBondContact O-N 2.83Å; C6-G10 PolarHBondContact O-N 2.98Å
7	S	86.2	Confident	80.7	Confident	77 Å²	77	120.2 Å²	120.2	54%	0.538	64%	0.643	S	S	.	*	H	α-helix	trans	-63.7	-43.1	176.3	-64.1	0	0	0	0	111.9	R3 L4 G10 L11	R3-S7 PolarHBondContact O-N 3.31Å; R3-S7 PolarHBondContact O-OG 2.73Å; L4-S7 PolarHBondContact O-N 3.15Å; S7-G10 PolarHBondContact O-N 3.48Å; S7-L11 PolarHBondContact O-N 3.47Å
8	L	85.1	Confident	80.7	Confident	131 Å²	131	125.3 Å²	125.3	69%	0.686	65%	0.652	S	S	*	*	H	α-helix	trans	-65.6	-43.8	178	-144.8	86.7	0	0	0	111.5	L4 L5 L11 L12	L4-L8 WeakPolarHBondContact O-CB 2.99Å; L4-L8 PolarHBondContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 3.44Å; L8-L11 PolarHBondContact O-N 3.47Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 3.06Å
9	L	83.3	Confident	80.5	Confident	118 Å²	118	125.1 Å²	125.1	62%	0.618	66%	0.657	S	S	*	*	H	α-helix	trans	-64.7	-40.2	176.6	-175.3	64.7	0	0	0	111.5	L5 C6 L12 C13	L5-L9 VanDerWaalsContact O-CB 3.28Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 PolarHBondContact O-N 3.3Å; C6-L9 PolarHBondContact O-N 2.83Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-C13 WeakPolarHBondContact O-CB 3.44Å; L9-C13 PolarHBondContact O-N 2.73Å
10	G	84.6	Confident	80.5	Confident	36 Å²	36	128.7 Å²	128.7	37%	0.371	67%	0.667	S	S	.	*	H	α-helix	trans	-62	-46.6	175	0	0	0	0	0	112.1	C6 S7 C13 T14	C6-G10 PolarHBondContact O-N 2.98Å; S7-G10 PolarHBondContact O-N 3.48Å; G10-C13 PolarHBondContact O-N 2.91Å; G10-T14 WeakPolarHBondContact O-CG2 3.37Å; G10-T14 PolarHBondContact O-N 3.21Å; G10-T14 PolarHBondContact O-OG1 3.05Å
11	L	84.3	Confident	80.5	Confident	123 Å²	123	126 Å²	126	64%	0.644	67%	0.67	S	S	*	*	H	α-helix	trans	-63.4	-43.5	175.6	-117.3	107.1	0	0	0	112.2	S7 L8 C13 T14 Q15	S7-L11 PolarHBondContact O-N 3.47Å; L8-L11 PolarHBondContact O-N 3.47Å; L11-C13 VanDerWaalsContact C-N 3.31Å; L11-C13 PolarHBondContact O-N 3.05Å; L11-T14 PolarHBondContact O-N 2.77Å; L11-T14 PolarHBondContact O-OG1 3.15Å; L11-Q15 WeakPolarHBondContact O-CG 3.31Å; L11-Q15 PolarHBondContact O-N 2.99Å; L11-Q15 VanDerWaalsContact O-N 3.16Å
12	L	82.3	Confident	81.5	Confident	111 Å²	111	121 Å²	121	58%	0.581	64%	0.644	S	S	*	*	H	α-helix	trans	-64.5	-40.1	177.7	-171.5	66.9	0	0	0	111	L8 L9 Q15 V16	L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-Q15 PolarHBondContact O-N 3.14Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.32Å; L12-V16 PolarHBondContact O-N 3.39Å
13	C	83.2	Confident	82.2	Confident	69 Å²	69	118.6 Å²	118.6	47%	0.466	64%	0.636	S	S	.	*	H	α-helix	trans	-64	-43	177.7	-170	0	0	0	0	111.6	L9 G10 L11 Q15 V16 C17	L9-C13 WeakPolarHBondContact O-CB 3.44Å; L9-C13 PolarHBondContact O-N 2.73Å; G10-C13 PolarHBondContact O-N 2.91Å; L11-C13 VanDerWaalsContact C-N 3.31Å; L11-C13 PolarHBondContact O-N 3.05Å; C13-Q15 VanDerWaalsContact C-N 3.34Å; C13-Q15 PolarHBondContact O-N 3.16Å; C13-V16 PolarHBondContact O-N 3.29Å; C13-C17 VanDerWaalsContact O-CB 3.28Å; C13-C17 WeakPolarHBondContact O-CB 3.23Å; C13-C17 PolarHBondContact O-N 2.81Å; C13-C17 PolarHBondContact O-SG 3.12Å
14	T	80.5	Confident	82.9	Confident	81 Å²	81	110.2 Å²	110.2	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-64.7	-37.2	176.8	58.1	0	0	0	0	112.7	G10 L11 W18	G10-T14 WeakPolarHBondContact O-CG2 3.37Å; G10-T14 PolarHBondContact O-N 3.21Å; G10-T14 PolarHBondContact O-OG1 3.05Å; L11-T14 PolarHBondContact O-N 2.77Å; L11-T14 PolarHBondContact O-OG1 3.15Å; T14-W18 PolarHBondContact O-N 3.25Å
15	Q	80	Confident	83.7	Confident	134 Å²	134	109.8 Å²	109.8	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-65.7	-46	175.7	-66.1	-61.7	-70.6	0	0	111.8	L11 L12 C13 W18	L11-Q15 WeakPolarHBondContact O-CG 3.31Å; L11-Q15 PolarHBondContact O-N 2.99Å; L11-Q15 VanDerWaalsContact O-N 3.16Å; L12-Q15 PolarHBondContact O-N 3.14Å; C13-Q15 VanDerWaalsContact C-N 3.34Å; C13-Q15 PolarHBondContact O-N 3.16Å; Q15-W18 PolarHBondContact O-N 3.2Å
16	V	77.4	Confident	84.4	Confident	102 Å²	102	106.8 Å²	106.8	62%	0.618	59%	0.587	S	S	*	*	H	α-helix	trans	-67.8	-37.2	-180	176.4	0	0	0	0	111.4	L12 C13 W18	L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.32Å; L12-V16 PolarHBondContact O-N 3.39Å; C13-V16 PolarHBondContact O-N 3.29Å; V16-W18 PolarHBondContact O-N 3.44Å
17	C	78.8	Confident	85.3	Confident	100 Å²	100	104.4 Å²	104.4	68%	0.676	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-10.3	178.4	-70.5	0	0	0	0	114.2	C13	C13-C17 VanDerWaalsContact O-CB 3.28Å; C13-C17 WeakPolarHBondContact O-CB 3.23Å; C13-C17 PolarHBondContact O-N 2.81Å; C13-C17 PolarHBondContact O-SG 3.12Å
18	W	79.5	Confident	85.8	Confident	212 Å²	212	103.5 Å²	103.5	80%	0.803	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-2.9	-176.9	-155.8	-85.5	0	0	0	114.4	T14 Q15 V16 K20	T14-W18 PolarHBondContact O-N 3.25Å; Q15-W18 PolarHBondContact O-N 3.2Å; V16-W18 PolarHBondContact O-N 3.44Å; W18-K20 PolarHBondContact O-N 2.84Å; W18-K20 VanDerWaalsContact O-N 3.14Å
19	V	77.6	Confident	86.4	Confident	122 Å²	122	102.4 Å²	102.4	74%	0.739	57%	0.573	S	S	*	*			trans	-73	112	179.1	-177.8	0	0	0	0	110
20	K	79.9	Confident	87.1	Confident	197 Å²	197	101.6 Å²	101.6	86%	0.857	58%	0.577	S	S	*	*			trans	-97.5	114	167.5	-66.1	-172.9	-179.7	-177.6	0	108.9	W18	W18-K20 PolarHBondContact O-N 2.84Å; W18-K20 VanDerWaalsContact O-N 3.14Å
21	G	81.6	Confident	87.6	Confident	72 Å²	72	104 Å²	104	74%	0.742	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-75.5	154.3	170.7	0	0	0	0	0	111.8
22	Q	85.9	Confident	88.3	Confident	102 Å²	102	104.8 Å²	104.8	48%	0.477	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-77.6	132.9	164.7	-72.5	165.1	-74.3	0	0	108.9	I109 D110	Q22-I109 HydrophobicContact CB-CD1 4Å; Q22-I109 HydrophobicContact CB-CG1 4.3Å; Q22-I109 HydrophobicContact CG-CD1 4.33Å; Q22-D110 PolarHBondContact NE2-OXT 3.48Å
23	Q	91.5	Very high	88.9	Confident	130 Å²	130	102.2 Å²	102.2	61%	0.607	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-97.9	127.3	-179.5	-175.4	178.2	-23.6	0	0	110.4	F45 S46	Q23-F45 WeakPolarHBondContact O-CA 3.41Å; Q23-S46 PolarHBondContact O-N 2.97Å; Q23-S46 VanDerWaalsContact O-N 3.13Å
24	V	95.1	Very high	89.6	Confident	49 Å²	49	105.7 Å²	105.7	30%	0.297	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.8	138.1	176.3	-177	0	0	0	0	108.5	C43 N44 F45 C107 I109	V24-C43 WeakPolarHBondContact CG1-SG 3.33Å; V24-N44 CarbonylContact C-O 3.55Å; V24-N44 WeakPolarHBondContact CA-O 3.39Å; V24-F45 HydrophobicContact CG2-CB 4.2Å; V24-C107 WeakPolarHBondContact CG1-SG 3.5Å; V24-I109 HydrophobicContact CG2-CD1 4.19Å; V24-I109 HydrophobicContact CG2-CG1 3.82Å
25	Q	97.2	Very high	90.4	Very high	123 Å²	123	107.5 Å²	107.5	58%	0.575	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.3	121.4	178.8	-177.3	176	-18.8	0	0	109.7	N44	Q25-N44 PolarHBondContact N-O 3.36Å; Q25-N44 PolarHBondContact O-N 3.02Å
26	Q	98.2	Very high	91.3	Very high	65 Å²	65	103.1 Å²	103.1	30%	0.304	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.4	143.8	177.1	-75	-178.3	-132.9	0	0	112	Q42 Y105 C107	Q26-Q42 CarbonylContact C-O 3.47Å; Q26-Q42 WeakPolarHBondContact CA-O 3.13Å; Q26-Y105 PolarHBondContact NE2-O 3.36Å; Q26-C107 WeakPolarHBondContact CG-SG 3.3Å; Q26-C107 PolarHBondContact OE1-SG 3.41Å
27	S	98.4	Very high	92.3	Very high	39 Å²	39	103 Å²	103	27%	0.273	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.4	144	174.3	55.4	0	0	0	0	112.3	Q42	S27-Q42 PolarHBondContact N-O 2.84Å; S27-Q42 PolarHBondContact O-N 3.49Å
28	P	98.2	Very high	93.2	Very high	57 Å²	57	103.1 Å²	103.1	37%	0.37	57%	0.567	S	S	.	*	S	Bend	cis	-66.4	162.2	-12.2	31.7	-36.6	0	0	0	111.6	S30 L31 L41	P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 PolarHBondContact O-N 2.96Å; P28-L31 HydrophobicContact CG-CB 4.17Å; P28-L31 HydrophobicContact CG-CD1 4.32Å; P28-L41 HydrophobicContact CG-CD2 4.49Å
29	A	96.9	Very high	94.1	Very high	108 Å²	108	93.4 Å²	93.4	89%	0.893	53%	0.532	S	S	*	.	S	Bend	trans	-69	-28.8	177.6	0	0	0	0	0	112.6
30	S	97	Very high	95.1	Very high	101 Å²	101	92 Å²	92	71%	0.706	52%	0.517	S	S	*	.			trans	-150.1	145.8	175.6	58.5	0	0	0	0	108.9	P28	P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 PolarHBondContact O-N 2.96Å
31	L	96.5	Very high	96	Very high	86 Å²	86	83.5 Å²	83.5	45%	0.45	48%	0.481	S	S	.	.			trans	-132.2	132.8	177.2	-173.2	63.8	0	0	0	108.8	P28 L33 A39	P28-L31 HydrophobicContact CG-CB 4.17Å; P28-L31 HydrophobicContact CG-CD1 4.32Å; L31-L33 HydrophobicContact CD2-CD2 3.56Å; L31-L33 HydrophobicContact CG-CD2 3.87Å; L31-A39 HydrophobicContact CD2-CB 3.66Å
32	V	97.5	Very high	96.8	Very high	141 Å²	141	83.3 Å²	83.3	86%	0.855	46%	0.461	S	S	*	.			trans	-122.2	125.3	173.6	-179.7	0	0	0	0	106.7
33	L	96.3	Very high	97.4	Very high	56 Å²	56	78.4 Å²	78.4	29%	0.293	44%	0.438	S	S	.	.			trans	-147.9	159.4	-173.4	56.2	84.9	0	0	0	110	L31 E37 A39	L31-L33 HydrophobicContact CD2-CD2 3.56Å; L31-L33 HydrophobicContact CG-CD2 3.87Å; L33-E37 HydrophobicContact CB-CB 4.18Å; L33-E37 HydrophobicContact CD1-CB 4.43Å; L33-A39 HydrophobicContact CD2-CB 3.66Å
34	Q	98	Very high	97.6	Very high	143 Å²	143	74.3 Å²	74.3	67%	0.668	42%	0.42	S	S	*	.			trans	-81.4	155.2	172.8	-60.3	-63.9	-30.2	0	0	110.9	G36 E37	Q34-G36 PolarHBondContact O-N 3.39Å; Q34-E37 HydrophobicContact CB-CG 4.18Å; Q34-E37 VanDerWaalsContact CB-OE2 3.32Å; Q34-E37 WeakPolarHBondContact CB-OE2 3.22Å; Q34-E37 PolarHBondContact N-OE2 2.89Å; Q34-E37 WeakPolarHBondContact O-CB 3.37Å; Q34-E37 PolarHBondContact O-N 2.98Å; Q34-E37 VanDerWaalsContact O-N 3.15Å
35	E	97.7	Very high	97.6	Very high	119 Å²	119	72.6 Å²	72.6	56%	0.556	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	141.1	171	-69.3	-166.8	147.8	0	0	110.9	E37 S97 T99	E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 2.89Å; E35-S97 CarbonylContact C-O 3.5Å; E35-S97 VanDerWaalsContact CA-O 3.31Å; E35-S97 WeakPolarHBondContact CA-O 3.43Å; E35-T99 HydrophobicContact CG-CG2 4.08Å; E35-T99 VanDerWaalsContact OE1-CB 3.23Å; E35-T99 WeakPolarHBondContact OE1-CB 3.33Å; E35-T99 WeakPolarHBondContact OE1-CG2 3.34Å; E35-T99 PolarHBondContact OE1-N 3.4Å; E35-T99 PolarHBondContact OE1-OG1 3.18Å
36	G	98.3	Very high	97.3	Very high	42 Å²	42	70.2 Å²	70.2	43%	0.433	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-15.7	-176	0	0	0	0	0	114.8	Q34 S97	Q34-G36 PolarHBondContact O-N 3.39Å; G36-S97 PolarHBondContact N-O 3.24Å
37	E	98.5	Very high	96.8	Very high	100 Å²	100	68.8 Å²	68.8	47%	0.467	40%	0.403	S	S	.	.			trans	-71.1	157.8	171.9	-65.7	-167.6	85.2	0	0	111.6	L33 Q34 E35 S97	L33-E37 HydrophobicContact CB-CB 4.18Å; L33-E37 HydrophobicContact CD1-CB 4.43Å; Q34-E37 HydrophobicContact CB-CG 4.18Å; Q34-E37 VanDerWaalsContact CB-OE2 3.32Å; Q34-E37 WeakPolarHBondContact CB-OE2 3.22Å; Q34-E37 PolarHBondContact N-OE2 2.89Å; Q34-E37 WeakPolarHBondContact O-CB 3.37Å; Q34-E37 PolarHBondContact O-N 2.98Å; Q34-E37 VanDerWaalsContact O-N 3.15Å; E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 2.89Å; E37-S97 WeakPolarHBondContact O-CB 3.21Å; E37-S97 PolarHBondContact O-N 2.95Å; E37-S97 PolarHBondContact O-OG 2.68Å
38	N	98.4	Very high	96.3	Very high	102 Å²	102	72.6 Å²	72.6	55%	0.545	42%	0.424	S	S	.	.			trans	-93.3	138.2	175.8	-64.5	-22.7	0	0	0	110.4	I94 S95 S96	N38-I94 CarbonylContact C-O 3.57Å; N38-I94 WeakPolarHBondContact CA-O 3.4Å; N38-S95 WeakPolarHBondContact OD1-CA 3.37Å; N38-S96 PolarHBondContact OD1-N 2.79Å; N38-S96 VanDerWaalsContact OD1-N 3.08Å
39	A	98	Very high	95.6	Very high	7 Å²	7	70.2 Å²	70.2	6%	0.058	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.4	172.9	0	0	0	0	0	110.6	L31 L33 H93 I94	L31-A39 HydrophobicContact CD2-CB 3.66Å; L33-A39 HydrophobicContact CD2-CB 3.66Å; A39-H93 CarbonylContact O-C 3.57Å; A39-H93 VanDerWaalsContact O-CA 3.31Å; A39-H93 WeakPolarHBondContact O-CA 3.35Å; A39-I94 HydrophobicContact CB-CB 4.1Å; A39-I94 HydrophobicContact CB-CD1 4.4Å; A39-I94 HydrophobicContact CB-CG1 4.4Å; A39-I94 PolarHBondContact N-O 2.9Å; A39-I94 PolarHBondContact O-N 2.99Å
40	E	98.4	Very high	95.1	Very high	94 Å²	94	69 Å²	69	44%	0.439	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.6	167.6	-168.8	-176.4	157.4	0	0	109.9	Q42 L92	E40-Q42 PolarHBondContact OE1-NE2 3.4Å; E40-L92 WeakPolarHBondContact CA-O 3.3Å
41	L	98.5	Very high	94.7	Very high	18 Å²	18	68.6 Å²	68.6	9%	0.094	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.2	171.1	-58.5	176.3	0	0	0	108.6	P28 W54 S91 L92 Y105	P28-L41 HydrophobicContact CG-CD2 4.49Å; L41-W54 HydrophobicContact CB-CH2 3.91Å; L41-W54 HydrophobicContact CB-CZ3 4.17Å; L41-W54 HydrophobicContact CD1-CZ3 4.41Å; L41-S91 CarbonylContact O-C 3.52Å; L41-S91 WeakPolarHBondContact O-CA 3.34Å; L41-S91 WeakPolarHBondContact O-CB 3.42Å; L41-L92 HydrophobicContact CB-CB 4.41Å; L41-L92 HydrophobicContact CD1-CD2 4.42Å; L41-L92 PolarHBondContact N-O 2.84Å; L41-L92 PolarHBondContact O-N 3.2Å; L41-Y105 HydrophobicContact CD1-CD1 4.37Å; L41-Y105 HydrophobicContact CD1-CD2 4.02Å; L41-Y105 HydrophobicContact CD1-CG 3.68Å
42	Q	98.3	Very high	94.6	Very high	67 Å²	67	64.5 Å²	64.5	31%	0.313	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.2	177.7	-63.2	180	-14.2	0	0	109.8	Q26 S27 E40 S90	Q26-Q42 CarbonylContact C-O 3.47Å; Q26-Q42 WeakPolarHBondContact CA-O 3.13Å; S27-Q42 PolarHBondContact N-O 2.84Å; S27-Q42 PolarHBondContact O-N 3.49Å; E40-Q42 PolarHBondContact OE1-NE2 3.4Å; Q42-S90 CarbonylContact C-O 3.59Å
43	C	97.6	Very high	94.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	108.5	179.9	-178	0	0	0	0	108.5	V24 L52 W54 R89 S90 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.33Å; C43-L52 HydrophobicContact CB-CD1 4.34Å; C43-W54 HydrophobicContact CB-CH2 3.72Å; C43-W54 HydrophobicContact CB-CZ2 3.55Å; C43-R89 CarbonylContact O-C 3.57Å; C43-R89 WeakPolarHBondContact O-CA 3.5Å; C43-S90 PolarHBondContact N-O 2.85Å; C43-S90 PolarHBondContact O-N 3.04Å; C43-C107 HydrophobicContact CB-CB 3.62Å; C43-C107 WeakPolarHBondContact CB-SG 3.43Å; C43-C107 WeakPolarHBondContact SG-CB 2.98Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 2.8Å
44	N	96.7	Very high	94.6	Very high	44 Å²	44	57.4 Å²	57.4	24%	0.235	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	144.2	174.3	-61.1	-56	0	0	0	109.2	V24 Q25 R88 R89	V24-N44 CarbonylContact C-O 3.55Å; V24-N44 WeakPolarHBondContact CA-O 3.39Å; Q25-N44 PolarHBondContact N-O 3.36Å; Q25-N44 PolarHBondContact O-N 3.02Å; N44-R88 WeakPolarHBondContact CA-O 3.28Å; N44-R89 WeakPolarHBondContact OD1-CG 3.33Å; N44-R89 PolarHBondContact OD1-NE 2.92Å
45	F	94.3	Very high	94.6	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.9	-179.4	47.7	-88.5	0	0	0	111.8	Q23 V24 S47 A49 L52 R88 I109	Q23-F45 WeakPolarHBondContact O-CA 3.41Å; V24-F45 HydrophobicContact CG2-CB 4.2Å; F45-S47 VanDerWaalsContact CD2-O 3.31Å; F45-S47 WeakPolarHBondContact CD2-O 3.33Å; F45-A49 HydrophobicContact CD2-CB 4.01Å; F45-A49 HydrophobicContact CE2-CB 3.63Å; F45-A49 HydrophobicContact CZ-CB 4.24Å; F45-L52 HydrophobicContact CD1-CD1 3.95Å; F45-L52 HydrophobicContact CE1-CD1 3.6Å; F45-R88 VanDerWaalsContact CD1-O 3.29Å; F45-R88 WeakPolarHBondContact CD1-O 3.26Å; F45-R88 HydrophobicContact CD2-CB 3.67Å; F45-R88 HydrophobicContact CD2-CG 4.24Å; F45-R88 WeakPolarHBondContact CE1-O 3.06Å; F45-R88 VanDerWaalsContact CE2-CA 3.43Å; F45-R88 HydrophobicContact CE2-CB 3.64Å; F45-R88 HydrophobicContact CE2-CG 4.08Å; F45-R88 HydrophobicContact CG-CB 4.21Å; F45-R88 VanDerWaalsContact CZ-C 3.43Å; F45-R88 VanDerWaalsContact CZ-CA 3.43Å; F45-R88 HydrophobicContact CZ-CB 4.15Å; F45-R88 PolarHBondContact N-O 2.87Å; F45-R88 WeakPolarHBondContact O-CB 3.1Å; F45-R88 WeakPolarHBondContact O-CD 3.31Å; F45-I109 HydrophobicContact CB-CD1 3.81Å; F45-I109 HydrophobicContact CB-CG2 4.19Å; F45-I109 HydrophobicContact CD1-CG2 3.79Å; F45-I109 HydrophobicContact CD2-CD1 4.16Å; F45-I109 HydrophobicContact CD2-CG2 4.17Å; F45-I109 HydrophobicContact CE1-CG2 4.16Å; F45-I109 HydrophobicContact CE2-CG2 4.5Å; F45-I109 HydrophobicContact CG-CD1 4.18Å; F45-I109 HydrophobicContact CG-CG2 3.8Å; F45-I109 HydrophobicContact CZ-CG2 4.49Å
46	S	90.9	Very high	94.6	Very high	73 Å²	73	47.7 Å²	47.7	51%	0.51	26%	0.262	S	S	.	.	S	Bend	trans	-94.6	-29.9	-171.8	64.6	0	0	0	0	114	Q23	Q23-S46 PolarHBondContact O-N 2.97Å; Q23-S46 VanDerWaalsContact O-N 3.13Å
47	S	89.1	Confident	94.6	Very high	34 Å²	34	48.6 Å²	48.6	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-91.2	160.1	-178.9	54.5	0	0	0	0	112.1	F45 A49 I109	F45-S47 VanDerWaalsContact CD2-O 3.31Å; F45-S47 WeakPolarHBondContact CD2-O 3.33Å; S47-A49 PolarHBondContact O-N 2.7Å; S47-I109 VanDerWaalsContact OG-CD1 3.3Å; S47-I109 WeakPolarHBondContact OG-CD1 3.32Å
48	T	86.5	Confident	94.3	Very high	119 Å²	119	46.6 Å²	46.6	73%	0.73	25%	0.246	S	C	*	.			trans	-60.7	125.5	162.4	-54.3	0	0	0	0	108.2
49	A	83.7	Confident	93.9	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	26%	0.255	C	S	.	.			trans	-111.5	138.3	172.3	0	0	0	0	0	107.7	F45 S47 R51 I109	F45-A49 HydrophobicContact CD2-CB 4.01Å; F45-A49 HydrophobicContact CE2-CB 3.63Å; F45-A49 HydrophobicContact CZ-CB 4.24Å; S47-A49 PolarHBondContact O-N 2.7Å; A49-R51 VanDerWaalsContact C-N 3.26Å; A49-I109 HydrophobicContact CB-CB 3.68Å; A49-I109 HydrophobicContact CB-CD1 4.11Å; A49-I109 HydrophobicContact CB-CG1 4.49Å; A49-I109 HydrophobicContact CB-CG2 3.81Å
50	T	86.6	Confident	93.6	Very high	82 Å²	82	50.7 Å²	50.7	50%	0.503	29%	0.292	S	S	.	.	S	Bend	trans	-73.1	-32.2	169.4	61.8	0	0	0	0	110	D110	T50-D110 PolarHBondContact N-O 3.36Å; T50-D110 PolarHBondContact OG1-O 2.77Å
51	R	88.6	Confident	93.2	Very high	92 Å²	92	48.1 Å²	48.1	35%	0.347	29%	0.291	S	S	.	.			trans	-154.1	153.5	-168.8	-63.4	170.1	-93	-115.1	4	111.6	A49 Y68 P70 I109 D110	A49-R51 VanDerWaalsContact C-N 3.26Å; R51-Y68 HydrophobicContact CB-CE2 4.49Å; R51-Y68 WeakPolarHBondContact CD-OH 3.49Å; R51-Y68 HydrophobicContact CG-CE1 4.48Å; R51-Y68 PolarHBondContact NE-OH 2.88Å; R51-P70 HydrophobicContact CG-CB 4.24Å; R51-P70 HydrophobicContact CG-CG 4.26Å; R51-I109 WeakPolarHBondContact O-CA 2.89Å; R51-D110 HydrophobicContact CB-CB 4.47Å; R51-D110 IonicContact CZ-OD2 3.46Å; R51-D110 PolarHBondContact N-O 2.99Å; R51-D110 IonicContact NE-OD2 3.05Å; R51-D110 PolarHBondContact NE-OD2 3.05Å; R51-D110 IonicContact NH2-OD2 2.99Å; R51-D110 PolarHBondContact NH2-OD2 3.24Å; R51-D110 PolarHBondContact O-N 2.75Å
52	L	94.7	Very high	93	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.3	172.2	-177	141.3	0	0	0	110.7	C43 F45 W54 N69 T83 S90 A108 I109	C43-L52 HydrophobicContact CB-CD1 4.34Å; F45-L52 HydrophobicContact CD1-CD1 3.95Å; F45-L52 HydrophobicContact CE1-CD1 3.6Å; L52-W54 VanDerWaalsContact CD2-CD1 3.44Å; L52-W54 HydrophobicContact CD2-CG 4.28Å; L52-W54 VanDerWaalsContact CD2-NE1 3.32Å; L52-N69 PolarHBondContact N-O 3.41Å; L52-N69 PolarHBondContact O-N 2.79Å; L52-T83 HydrophobicContact CB-CG2 3.99Å; L52-S90 WeakPolarHBondContact CD2-OG 3.27Å; L52-A108 WeakPolarHBondContact CA-O 3.15Å; L52-I109 HydrophobicContact CB-CG2 4.36Å; L52-I109 HydrophobicContact CD1-CG2 4.01Å; L52-I109 HydrophobicContact CG-CG2 4.35Å
53	Q	96.3	Very high	92.9	Very high	47 Å²	47	56.5 Å²	56.5	22%	0.22	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135	178.7	-170.9	164.3	-34.8	0	0	111	F55 S65 F67 Y68 C107 A108	Q53-F55 HydrophobicContact CB-CE2 3.85Å; Q53-F55 HydrophobicContact CB-CZ 4.22Å; Q53-F55 HydrophobicContact CG-CD2 4.17Å; Q53-F55 HydrophobicContact CG-CE1 4.22Å; Q53-F55 HydrophobicContact CG-CE2 3.56Å; Q53-F55 HydrophobicContact CG-CZ 3.61Å; Q53-S65 PolarHBondContact NE2-OG 3.37Å; Q53-F67 VanDerWaalsContact CA-O 3.28Å; Q53-F67 WeakPolarHBondContact CA-O 2.95Å; Q53-F67 WeakPolarHBondContact CG-O 3.41Å; Q53-Y68 HydrophobicContact CB-CD2 4.31Å; Q53-Y68 HydrophobicContact CG-CD2 4.36Å; Q53-Y68 VanDerWaalsContact OE1-CD2 3.26Å; Q53-C107 CarbonylContact O-C 3.56Å; Q53-C107 VanDerWaalsContact O-CA 3.28Å; Q53-C107 WeakPolarHBondContact O-CA 3.16Å; Q53-A108 PolarHBondContact N-O 2.81Å; Q53-A108 PolarHBondContact O-N 2.86Å
54	W	97.9	Very high	92.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	171.2	-76.7	98.8	0	0	0	110.4	L41 C43 L52 L66 F67 S81 S90 L92 F106 C107	L41-W54 HydrophobicContact CB-CH2 3.91Å; L41-W54 HydrophobicContact CB-CZ3 4.17Å; L41-W54 HydrophobicContact CD1-CZ3 4.41Å; C43-W54 HydrophobicContact CB-CH2 3.72Å; C43-W54 HydrophobicContact CB-CZ2 3.55Å; L52-W54 VanDerWaalsContact CD2-CD1 3.44Å; L52-W54 HydrophobicContact CD2-CG 4.28Å; L52-W54 VanDerWaalsContact CD2-NE1 3.32Å; W54-L66 HydrophobicContact CB-CB 4.35Å; W54-L66 PolarHBondContact O-N 3.43Å; W54-F67 HydrophobicContact CB-CB 4.48Å; W54-F67 PolarHBondContact N-O 2.78Å; W54-F67 PolarHBondContact O-N 3.44Å; W54-S81 PolarHBondContact NE1-OG 2.87Å; W54-S90 PolarHBondContact NE1-OG 3Å; W54-L92 HydrophobicContact CB-CD2 4.49Å; W54-L92 HydrophobicContact CD2-CB 3.7Å; W54-L92 HydrophobicContact CD2-CD2 4.05Å; W54-L92 HydrophobicContact CD2-CG 4.36Å; W54-L92 HydrophobicContact CE3-CB 3.99Å; W54-L92 HydrophobicContact CE3-CD2 3.86Å; W54-L92 HydrophobicContact CG-CB 4.23Å; W54-L92 HydrophobicContact CG-CD1 4.39Å; W54-L92 HydrophobicContact CG-CD2 4.34Å; W54-L92 HydrophobicContact CH2-CB 4.07Å; W54-L92 HydrophobicContact CZ2-CB 3.8Å; W54-L92 HydrophobicContact CZ3-CB 4.17Å; W54-L92 HydrophobicContact CZ3-CD2 4.42Å; W54-F106 CarbonylContact C-O 3.59Å; W54-F106 WeakPolarHBondContact CA-O 2.93Å; W54-C107 HydrophobicContact CD2-CB 3.99Å; W54-C107 HydrophobicContact CE3-CB 3.81Å; W54-C107 HydrophobicContact CH2-CB 3.93Å; W54-C107 HydrophobicContact CZ2-CB 4.08Å; W54-C107 HydrophobicContact CZ3-CB 3.78Å
55	F	97.8	Very high	92.8	Very high	41 Å²	41	59.9 Å²	59.9	18%	0.18	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.2	177.4	-56.5	-100.1	0	0	0	110.7	Q53 L63 V64 Y105 F106 A108	Q53-F55 HydrophobicContact CB-CE2 3.85Å; Q53-F55 HydrophobicContact CB-CZ 4.22Å; Q53-F55 HydrophobicContact CG-CD2 4.17Å; Q53-F55 HydrophobicContact CG-CE1 4.22Å; Q53-F55 HydrophobicContact CG-CE2 3.56Å; Q53-F55 HydrophobicContact CG-CZ 3.61Å; F55-L63 HydrophobicContact CB-CD1 3.72Å; F55-L63 HydrophobicContact CB-CG 4.12Å; F55-L63 HydrophobicContact CD1-CD1 4.46Å; F55-L63 HydrophobicContact CD1-CD2 3.88Å; F55-L63 HydrophobicContact CD1-CG 3.97Å; F55-L63 HydrophobicContact CE1-CD2 4.33Å; F55-L63 HydrophobicContact CG-CD1 4.39Å; F55-L63 HydrophobicContact CG-CD2 4.38Å; F55-L63 HydrophobicContact CG-CG 4.39Å; F55-V64 CarbonylContact C-O 3.57Å; F55-V64 VanDerWaalsContact CA-O 3.22Å; F55-V64 WeakPolarHBondContact CA-O 3.48Å; F55-Y105 VanDerWaalsContact O-CA 3.3Å; F55-Y105 WeakPolarHBondContact O-CA 3.39Å; F55-F106 HydrophobicContact CB-CB 4.34Å; F55-F106 PolarHBondContact N-O 2.82Å; F55-F106 PolarHBondContact O-N 3.48Å; F55-A108 HydrophobicContact CE2-CB 3.95Å
56	Y	97.9	Very high	93	Very high	18 Å²	18	61.4 Å²	61.4	7%	0.071	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.6	169.5	170.2	-124.4	0	0	0	109.8	H58 L63 V64 T100 S102 Y105	Y56-H58 AromaticContact CD1-CE1 3.5Å; Y56-H58 VanDerWaalsContact CD1-CE1 3.5Å; Y56-H58 WeakPolarHBondContact CD1-CE1 3.31Å; Y56-H58 AromaticContact CD1-ND1 3.72Å; Y56-H58 AromaticContact CE1-CD2 3.57Å; Y56-H58 AromaticContact CE1-CE1 3.34Å; Y56-H58 WeakPolarHBondContact CE1-CE1 3.45Å; Y56-H58 AromaticContact CE1-CG 3.66Å; Y56-H58 AromaticContact CE1-ND1 3.54Å; Y56-H58 AromaticContact CE1-NE2 3.43Å; Y56-H58 WeakPolarHBondContact CE1-NE2 3.39Å; Y56-L63 CarbonylContact O-C 3.54Å; Y56-V64 PolarHBondContact N-O 2.96Å; Y56-V64 PolarHBondContact O-N 2.98Å; Y56-T100 PolarHBondContact OH-O 3.16Å; Y56-S102 PolarHBondContact OH-O 3.04Å; Y56-Y105 HydrophobicContact CD2-CD1 4.21Å; Y56-Y105 HydrophobicContact CD2-CD2 4.25Å; Y56-Y105 AromaticContact CD2-CE1 3.79Å; Y56-Y105 HydrophobicContact CD2-CE1 3.79Å; Y56-Y105 AromaticContact CD2-CE2 3.81Å; Y56-Y105 HydrophobicContact CD2-CE2 3.81Å; Y56-Y105 HydrophobicContact CD2-CG 4.43Å; Y56-Y105 AromaticContact CD2-CZ 3.56Å; Y56-Y105 HydrophobicContact CE2-CE2 4.03Å; Y56-Y105 AromaticContact CE2-CZ 3.97Å; Y56-Y105 HydrophobicContact CG-CE1 4.18Å
57	Q	97.9	Very high	93.3	Very high	61 Å²	61	58.4 Å²	58.4	29%	0.285	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.5	171.9	-171	175.4	39.2	0	0	109.1	G61 R62 L63 T104 F106	Q57-G61 PolarHBondContact NE2-O 2.79Å; Q57-G61 VanDerWaalsContact NE2-O 3.12Å; Q57-R62 WeakPolarHBondContact CA-O 3.35Å; Q57-L63 HydrophobicContact CB-CD1 3.86Å; Q57-L63 HydrophobicContact CG-CD1 4.49Å; Q57-T104 PolarHBondContact N-O 3.2Å; Q57-T104 PolarHBondContact O-N 3.38Å; Q57-F106 HydrophobicContact CB-CD2 4.4Å; Q57-F106 HydrophobicContact CB-CE2 3.8Å
58	H	92.8	Very high	93.6	Very high	58 Å²	58	61.7 Å²	61.7	27%	0.269	34%	0.344	S	S	.	.			trans	-65.2	155.9	173.6	-63	69.7	0	0	0	109.7	Y56 G60 G61 R62	Y56-H58 AromaticContact CD1-CE1 3.5Å; Y56-H58 VanDerWaalsContact CD1-CE1 3.5Å; Y56-H58 WeakPolarHBondContact CD1-CE1 3.31Å; Y56-H58 AromaticContact CD1-ND1 3.72Å; Y56-H58 AromaticContact CE1-CD2 3.57Å; Y56-H58 AromaticContact CE1-CE1 3.34Å; Y56-H58 WeakPolarHBondContact CE1-CE1 3.45Å; Y56-H58 AromaticContact CE1-CG 3.66Å; Y56-H58 AromaticContact CE1-ND1 3.54Å; Y56-H58 AromaticContact CE1-NE2 3.43Å; Y56-H58 WeakPolarHBondContact CE1-NE2 3.39Å; H58-G60 PolarHBondContact O-N 3.31Å; H58-G61 PolarHBondContact O-N 2.85Å; H58-R62 PolarHBondContact N-O 2.9Å; H58-R62 VanDerWaalsContact N-O 3.16Å; H58-R62 PolarHBondContact ND1-O 3.48Å
59	P	90	Very high	93.7	Very high	113 Å²	113	56 Å²	56	73%	0.734	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.2	172.9	-28.8	35.9	0	0	0	114.3	G61 S102	P59-G61 VanDerWaalsContact C-N 3.25Å; P59-G61 PolarHBondContact O-N 3.39Å; P59-S102 WeakPolarHBondContact CD-O 3.42Å
60	G	90.7	Very high	94.1	Very high	81 Å²	81	58.5 Å²	58.5	84%	0.835	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	7	173.3	0	0	0	0	0	115.9	H58 R62	H58-G60 PolarHBondContact O-N 3.31Å; G60-R62 PolarHBondContact O-N 3.25Å
61	G	90.4	Very high	94.4	Very high	40 Å²	40	57.9 Å²	57.9	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	89.9	-13.1	172.2	0	0	0	0	0	116.4	Q57 H58 P59 L63	Q57-G61 PolarHBondContact NE2-O 2.79Å; Q57-G61 VanDerWaalsContact NE2-O 3.12Å; H58-G61 PolarHBondContact O-N 2.85Å; P59-G61 VanDerWaalsContact C-N 3.25Å; P59-G61 PolarHBondContact O-N 3.39Å; G61-L63 PolarHBondContact O-N 2.89Å
62	R	94.3	Very high	94.7	Very high	169 Å²	169	55.2 Å²	55.2	64%	0.638	32%	0.324	S	S	*	.			trans	-68.6	117.4	179	-174	177.1	68.2	172.9	0.5	111.4	Q57 H58 G60 V64	Q57-R62 WeakPolarHBondContact CA-O 3.35Å; H58-R62 PolarHBondContact N-O 2.9Å; H58-R62 VanDerWaalsContact N-O 3.16Å; H58-R62 PolarHBondContact ND1-O 3.48Å; G60-R62 PolarHBondContact O-N 3.25Å; R62-V64 HydrophobicContact CG-CG2 4.37Å
63	L	96.1	Very high	94.8	Very high	93 Å²	93	59.4 Å²	59.4	49%	0.487	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.7	174	-165.2	70.4	0	0	0	110.8	F55 Y56 Q57 G61 F106	F55-L63 HydrophobicContact CB-CD1 3.72Å; F55-L63 HydrophobicContact CB-CG 4.12Å; F55-L63 HydrophobicContact CD1-CD1 4.46Å; F55-L63 HydrophobicContact CD1-CD2 3.88Å; F55-L63 HydrophobicContact CD1-CG 3.97Å; F55-L63 HydrophobicContact CE1-CD2 4.33Å; F55-L63 HydrophobicContact CG-CD1 4.39Å; F55-L63 HydrophobicContact CG-CD2 4.38Å; F55-L63 HydrophobicContact CG-CG 4.39Å; Y56-L63 CarbonylContact O-C 3.54Å; Q57-L63 HydrophobicContact CB-CD1 3.86Å; Q57-L63 HydrophobicContact CG-CD1 4.49Å; G61-L63 PolarHBondContact O-N 2.89Å; L63-F106 HydrophobicContact CD1-CD2 3.94Å; L63-F106 HydrophobicContact CD1-CE2 4.3Å
64	V	96.6	Very high	94.9	Very high	50 Å²	50	61.9 Å²	61.9	30%	0.303	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134	-179.9	178.8	0	0	0	0	108.8	F55 Y56 R62	F55-V64 CarbonylContact C-O 3.57Å; F55-V64 VanDerWaalsContact CA-O 3.22Å; F55-V64 WeakPolarHBondContact CA-O 3.48Å; Y56-V64 PolarHBondContact N-O 2.96Å; Y56-V64 PolarHBondContact O-N 2.98Å; R62-V64 HydrophobicContact CG-CG2 4.37Å
65	S	96.7	Very high	94.9	Very high	64 Å²	64	67 Å²	67	45%	0.448	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.9	171.4	-174.5	0	0	0	0	110	Q53	Q53-S65 PolarHBondContact NE2-OG 3.37Å
66	L	97.5	Very high	94.8	Very high	46 Å²	46	69.5 Å²	69.5	24%	0.241	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-53.5	-180	-62.7	173.2	0	0	0	111.6	W54 L79 L92 Y105	W54-L66 HydrophobicContact CB-CB 4.35Å; W54-L66 PolarHBondContact O-N 3.43Å; L66-L79 HydrophobicContact CD1-CD2 3.86Å; L66-L79 HydrophobicContact CD2-CD2 3.96Å; L66-L79 HydrophobicContact CG-CD2 4.4Å; L66-L92 HydrophobicContact CD1-CD2 4.04Å; L66-Y105 HydrophobicContact CD1-CD1 3.83Å; L66-Y105 HydrophobicContact CD1-CE1 3.79Å
67	F	97.4	Very high	94.8	Very high	10 Å²	10	71.6 Å²	71.6	4%	0.044	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.3	-176.4	-66.6	-81.3	0	0	0	111.2	Q53 W54 K74 T76 L79 L92	Q53-F67 VanDerWaalsContact CA-O 3.28Å; Q53-F67 WeakPolarHBondContact CA-O 2.95Å; Q53-F67 WeakPolarHBondContact CG-O 3.41Å; W54-F67 HydrophobicContact CB-CB 4.48Å; W54-F67 PolarHBondContact N-O 2.78Å; W54-F67 PolarHBondContact O-N 3.44Å; F67-K74 HydrophobicContact CD1-CB 3.88Å; F67-K74 HydrophobicContact CE1-CB 4.11Å; F67-T76 WeakPolarHBondContact CE1-OG1 3.15Å; F67-L79 HydrophobicContact CE2-CB 3.62Å; F67-L79 HydrophobicContact CE2-CD2 4.25Å; F67-L79 HydrophobicContact CZ-CB 3.79Å; F67-L79 WeakPolarHBondContact CZ-O 3.31Å; F67-L92 HydrophobicContact CD2-CD1 3.83Å; F67-L92 HydrophobicContact CE2-CD1 3.74Å
68	Y	94.8	Very high	94.7	Very high	102 Å²	102	71.2 Å²	71.2	40%	0.4	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.1	169.9	-174.2	-102.4	0	0	0	109.2	R51 Q53 K74	R51-Y68 HydrophobicContact CB-CE2 4.49Å; R51-Y68 WeakPolarHBondContact CD-OH 3.49Å; R51-Y68 HydrophobicContact CG-CE1 4.48Å; R51-Y68 PolarHBondContact NE-OH 2.88Å; Q53-Y68 HydrophobicContact CB-CD2 4.31Å; Q53-Y68 HydrophobicContact CG-CD2 4.36Å; Q53-Y68 VanDerWaalsContact OE1-CD2 3.26Å; Y68-K74 PolarHBondContact O-NZ 3.16Å
69	N	89.4	Confident	95	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	111.3	-169.2	-70.9	-36.1	0	0	0	111	L52 S71 K74 S81 T83	L52-N69 PolarHBondContact N-O 3.41Å; L52-N69 PolarHBondContact O-N 2.79Å; N69-S71 VanDerWaalsContact C-N 3.34Å; N69-K74 WeakPolarHBondContact OD1-CD 3.41Å; N69-K74 WeakPolarHBondContact OD1-CE 3.41Å; N69-K74 WeakPolarHBondContact OD1-CG 3.32Å; N69-S81 VanDerWaalsContact ND2-CB 3.27Å; N69-S81 WeakPolarHBondContact ND2-CB 3.28Å; N69-S81 PolarHBondContact ND2-OG 2.8Å; N69-T83 WeakPolarHBondContact CB-OG1 3.5Å
70	P	90.8	Very high	95.4	Very high	61 Å²	61	66 Å²	66	40%	0.396	40%	0.395	S	S	.	.	S	Bend	trans	-63.1	-43.5	162.8	-19.8	32.3	0	0	0	111.1	R51 T85	R51-P70 HydrophobicContact CG-CB 4.24Å; R51-P70 HydrophobicContact CG-CG 4.26Å; P70-T85 WeakPolarHBondContact O-CG2 3.29Å
71	S	92.9	Very high	95.8	Very high	68 Å²	68	62.1 Å²	62.1	48%	0.476	36%	0.355	S	S	.	.	S	Bend	trans	-169.9	173.9	175.9	61.2	0	0	0	0	109.9	N69 T83	N69-S71 VanDerWaalsContact C-N 3.34Å; S71-T83 CarbonylContact C-O 3.58Å
72	G	95.7	Very high	96.1	Very high	36 Å²	36	62.1 Å²	62.1	37%	0.371	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.6	-162.3	175.1	0	0	0	0	0	113.2	T82 T83	G72-T82 CarbonylContact O-C 3.6Å; G72-T82 WeakPolarHBondContact O-CA 3.46Å; G72-T83 PolarHBondContact N-O 2.79Å; G72-T83 PolarHBondContact O-N 2.83Å
73	T	97.5	Very high	96.3	Very high	90 Å²	90	54.2 Å²	54.2	55%	0.552	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.5	-176.2	-60.6	0	0	0	0	110.5	T80 S81 T82	T73-T80 HydrophobicContact CG2-CG2 3.52Å; T73-S81 CarbonylContact C-O 3.52Å; T73-S81 WeakPolarHBondContact CA-O 3.44Å; T73-T82 WeakPolarHBondContact CG2-OG1 3.36Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.22Å; T73-T82 PolarHBondContact OG1-OG1 2.81Å
74	K	97.6	Very high	96.2	Very high	98 Å²	98	52 Å²	52	43%	0.426	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.2	169.3	-67.6	-166.1	-166	170.9	0	110.4	F67 Y68 N69 T80 S81	F67-K74 HydrophobicContact CD1-CB 3.88Å; F67-K74 HydrophobicContact CE1-CB 4.11Å; Y68-K74 PolarHBondContact O-NZ 3.16Å; N69-K74 WeakPolarHBondContact OD1-CD 3.41Å; N69-K74 WeakPolarHBondContact OD1-CE 3.41Å; N69-K74 WeakPolarHBondContact OD1-CG 3.32Å; K74-T80 CarbonylContact O-C 3.59Å; K74-T80 WeakPolarHBondContact O-CA 2.98Å; K74-S81 PolarHBondContact N-O 2.76Å; K74-S81 PolarHBondContact O-N 2.95Å
75	H	97.5	Very high	95.9	Very high	109 Å²	109	52 Å²	52	51%	0.505	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.2	-177.4	172.4	-93.3	0	0	0	110.7	G77 L79 T80	H75-G77 PolarHBondContact CE1-O 3.08Å; H75-G77 PolarHBondContact NE2-O 3.19Å; H75-L79 CarbonylContact C-O 3.56Å; H75-L79 WeakPolarHBondContact CA-O 3.32Å; H75-L79 PolarHBondContact CD2-O 3.19Å; H75-T80 PolarHBondContact CD2-OG1 2.86Å
76	T	97.1	Very high	95.6	Very high	92 Å²	92	55 Å²	55	56%	0.564	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	112.4	173.5	-57.4	0	0	0	0	108.9	F67 R78 L79	F67-T76 WeakPolarHBondContact CE1-OG1 3.15Å; T76-R78 PolarHBondContact O-N 2.85Å; T76-L79 PolarHBondContact N-O 3.05Å; T76-L79 PolarHBondContact O-N 2.88Å
77	G	96.7	Very high	95.4	Very high	63 Å²	63	58.2 Å²	58.2	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-104	175.1	0	0	0	0	0	113.3	H75	H75-G77 PolarHBondContact CE1-O 3.08Å; H75-G77 PolarHBondContact NE2-O 3.19Å
78	R	97.3	Very high	95.3	Very high	52 Å²	52	63.1 Å²	63.1	20%	0.196	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.1	176.2	-67.8	-176.4	-62.7	101.3	0.8	112.9	T76 I94 S95 S96 Q98 D101	T76-R78 PolarHBondContact O-N 2.85Å; R78-I94 WeakPolarHBondContact O-CA 3.43Å; R78-S95 WeakPolarHBondContact CB-O 3.49Å; R78-S95 WeakPolarHBondContact CD-O 3.3Å; R78-S95 PolarHBondContact NH1-O 2.7Å; R78-S95 PolarHBondContact O-N 3.46Å; R78-S95 PolarHBondContact O-OG 3.21Å; R78-S96 PolarHBondContact NH1-O 2.95Å; R78-Q98 VanDerWaalsContact NE-NE2 3.15Å; R78-D101 IonicContact CZ-OD1 3.74Å; R78-D101 IonicContact CZ-OD2 3.22Å; R78-D101 IonicContact NH1-OD1 3.81Å; R78-D101 IonicContact NH1-OD2 2.7Å; R78-D101 PolarHBondContact NH1-OD2 3.05Å; R78-D101 IonicContact NH2-OD1 2.79Å; R78-D101 PolarHBondContact NH2-OD1 3.17Å; R78-D101 IonicContact NH2-OD2 2.88Å; R78-D101 PolarHBondContact NH2-OD2 2.85Å
79	L	98.3	Very high	95.4	Very high	26 Å²	26	63.7 Å²	63.7	14%	0.136	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.8	-173.8	-66.7	72	0	0	0	110.2	L66 F67 H75 T76 L92 H93 I94	L66-L79 HydrophobicContact CD1-CD2 3.86Å; L66-L79 HydrophobicContact CD2-CD2 3.96Å; L66-L79 HydrophobicContact CG-CD2 4.4Å; F67-L79 HydrophobicContact CE2-CB 3.62Å; F67-L79 HydrophobicContact CE2-CD2 4.25Å; F67-L79 HydrophobicContact CZ-CB 3.79Å; F67-L79 WeakPolarHBondContact CZ-O 3.31Å; H75-L79 CarbonylContact C-O 3.56Å; H75-L79 WeakPolarHBondContact CA-O 3.32Å; H75-L79 PolarHBondContact CD2-O 3.19Å; T76-L79 PolarHBondContact N-O 3.05Å; T76-L79 PolarHBondContact O-N 2.88Å; L79-L92 HydrophobicContact CB-CD1 4.46Å; L79-H93 CarbonylContact C-O 3.55Å; L79-H93 VanDerWaalsContact CA-O 3.32Å; L79-H93 WeakPolarHBondContact CA-O 3.31Å; L79-I94 HydrophobicContact CG-CG1 4.32Å
80	T	98.5	Very high	95.7	Very high	36 Å²	36	63.7 Å²	63.7	22%	0.221	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.1	172.6	-53.8	0	0	0	0	108.6	T73 K74 H75 L92 H93	T73-T80 HydrophobicContact CG2-CG2 3.52Å; K74-T80 CarbonylContact O-C 3.59Å; K74-T80 WeakPolarHBondContact O-CA 2.98Å; H75-T80 PolarHBondContact CD2-OG1 2.86Å; T80-L92 CarbonylContact O-C 3.43Å; T80-L92 WeakPolarHBondContact O-CA 3.35Å; T80-H93 PolarHBondContact N-O 2.82Å; T80-H93 PolarHBondContact O-N 2.84Å
81	S	98.2	Very high	96.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.2	169	177.9	0	0	0	0	110.4	W54 N69 T73 K74 S91	W54-S81 PolarHBondContact NE1-OG 2.87Å; N69-S81 VanDerWaalsContact ND2-CB 3.27Å; N69-S81 WeakPolarHBondContact ND2-CB 3.28Å; N69-S81 PolarHBondContact ND2-OG 2.8Å; T73-S81 CarbonylContact C-O 3.52Å; T73-S81 WeakPolarHBondContact CA-O 3.44Å; K74-S81 PolarHBondContact N-O 2.76Å; K74-S81 PolarHBondContact O-N 2.95Å; S81-S91 VanDerWaalsContact CA-O 3.31Å; S81-S91 WeakPolarHBondContact CA-O 3.35Å; S81-S91 PolarHBondContact OG-O 3.33Å
82	T	97.8	Very high	96.4	Very high	39 Å²	39	58.8 Å²	58.8	24%	0.239	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.4	175.7	-64.2	0	0	0	0	108.9	G72 T73 V84 S90 S91	G72-T82 CarbonylContact O-C 3.6Å; G72-T82 WeakPolarHBondContact O-CA 3.46Å; T73-T82 WeakPolarHBondContact CG2-OG1 3.36Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.22Å; T73-T82 PolarHBondContact OG1-OG1 2.81Å; T82-V84 HydrophobicContact CG2-CG2 4.26Å; T82-S90 CarbonylContact O-C 3.57Å; T82-S90 WeakPolarHBondContact O-CA 3.37Å; T82-S90 VanDerWaalsContact O-CB 3.26Å; T82-S90 WeakPolarHBondContact O-CB 3.34Å; T82-S90 PolarHBondContact O-OG 3.45Å; T82-S91 PolarHBondContact N-O 3.33Å; T82-S91 PolarHBondContact O-N 2.96Å
83	T	96.8	Very high	96.5	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123	178.4	-57.3	0	0	0	0	109.9	L52 N69 S71 G72 T85 S90	L52-T83 HydrophobicContact CB-CG2 3.99Å; N69-T83 WeakPolarHBondContact CB-OG1 3.5Å; S71-T83 CarbonylContact C-O 3.58Å; G72-T83 PolarHBondContact N-O 2.79Å; G72-T83 PolarHBondContact O-N 2.83Å; T83-T85 HydrophobicContact CG2-CG2 4.05Å; T83-S90 PolarHBondContact OG1-OG 3.14Å
84	V	94.7	Very high	96.6	Very high	46 Å²	46	55.8 Å²	55.8	28%	0.279	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	92.8	178	-172.3	0	0	0	0	107.4	T82 N86 E87 R88 R89	T82-V84 HydrophobicContact CG2-CG2 4.26Å; V84-N86 WeakPolarHBondContact CG1-OD1 3.43Å; V84-N86 PolarHBondContact O-N 2.99Å; V84-E87 HydrophobicContact CB-CB 4.19Å; V84-E87 HydrophobicContact CB-CG 4.48Å; V84-E87 HydrophobicContact CG1-CB 3.82Å; V84-E87 HydrophobicContact CG1-CG 3.64Å; V84-E87 CarbonylContact O-C 3.54Å; V84-E87 PolarHBondContact O-N 3.05Å; V84-R88 PolarHBondContact O-N 2.02Å; V84-R88 VanDerWaalsContact O-N 3.12Å; V84-R89 PolarHBondContact N-O 2.85Å; V84-R89 PolarHBondContact O-N 3.34Å
85	T	90.2	Very high	96.6	Very high	52 Å²	52	53 Å²	53	32%	0.319	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-36.6	-168.5	45.3	0	0	0	0	113.8	P70 T83 E87 R88	P70-T85 WeakPolarHBondContact O-CG2 3.29Å; T83-T85 HydrophobicContact CG2-CG2 4.05Å; T85-E87 PolarHBondContact O-N 3.13Å; T85-R88 PolarHBondContact O-N 2.79Å
86	N	90.8	Very high	96.6	Very high	127 Å²	127	50.7 Å²	50.7	68%	0.679	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.9	175.1	60.9	-54.9	0	0	0	112.3	V84 R88	V84-N86 WeakPolarHBondContact CG1-OD1 3.43Å; V84-N86 PolarHBondContact O-N 2.99Å; N86-R88 VanDerWaalsContact C-N 3.33Å
87	E	94.2	Very high	96.6	Very high	112 Å²	112	46.6 Å²	46.6	52%	0.523	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.6	174.3	-66	179.7	-163.2	0	0	113	V84 T85 R89	V84-E87 HydrophobicContact CB-CB 4.19Å; V84-E87 HydrophobicContact CB-CG 4.48Å; V84-E87 HydrophobicContact CG1-CB 3.82Å; V84-E87 HydrophobicContact CG1-CG 3.64Å; V84-E87 CarbonylContact O-C 3.54Å; V84-E87 PolarHBondContact O-N 3.05Å; T85-E87 PolarHBondContact O-N 3.13Å; E87-R89 HydrophobicContact CB-CB 4.4Å; E87-R89 PolarHBondContact O-N 3Å
88	R	94.7	Very high	96.7	Very high	114 Å²	114	48 Å²	48	43%	0.43	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	43.5	-175.1	-53.2	-177.2	-178.3	93.9	0.6	113.2	N44 F45 V84 T85 N86	N44-R88 WeakPolarHBondContact CA-O 3.28Å; F45-R88 VanDerWaalsContact CD1-O 3.29Å; F45-R88 WeakPolarHBondContact CD1-O 3.26Å; F45-R88 HydrophobicContact CD2-CB 3.67Å; F45-R88 HydrophobicContact CD2-CG 4.24Å; F45-R88 WeakPolarHBondContact CE1-O 3.06Å; F45-R88 VanDerWaalsContact CE2-CA 3.43Å; F45-R88 HydrophobicContact CE2-CB 3.64Å; F45-R88 HydrophobicContact CE2-CG 4.08Å; F45-R88 HydrophobicContact CG-CB 4.21Å; F45-R88 VanDerWaalsContact CZ-C 3.43Å; F45-R88 VanDerWaalsContact CZ-CA 3.43Å; F45-R88 HydrophobicContact CZ-CB 4.15Å; F45-R88 PolarHBondContact N-O 2.87Å; F45-R88 WeakPolarHBondContact O-CB 3.1Å; F45-R88 WeakPolarHBondContact O-CD 3.31Å; V84-R88 PolarHBondContact O-N 2.02Å; V84-R88 VanDerWaalsContact O-N 3.12Å; T85-R88 PolarHBondContact O-N 2.79Å; N86-R88 VanDerWaalsContact C-N 3.33Å
89	R	96.2	Very high	96.5	Very high	113 Å²	113	50.1 Å²	50.1	43%	0.426	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.6	-175.7	-177.2	176.4	-65.1	159.2	1.2	111.6	C43 N44 V84 E87	C43-R89 CarbonylContact O-C 3.57Å; C43-R89 WeakPolarHBondContact O-CA 3.5Å; N44-R89 WeakPolarHBondContact OD1-CG 3.33Å; N44-R89 PolarHBondContact OD1-NE 2.92Å; V84-R89 PolarHBondContact N-O 2.85Å; V84-R89 PolarHBondContact O-N 3.34Å; E87-R89 HydrophobicContact CB-CB 4.4Å; E87-R89 PolarHBondContact O-N 3Å
90	S	97.2	Very high	96.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.6	159.4	177	0	0	0	0	110.9	Q42 C43 L52 W54 T82 T83	Q42-S90 CarbonylContact C-O 3.59Å; C43-S90 PolarHBondContact N-O 2.85Å; C43-S90 PolarHBondContact O-N 3.04Å; L52-S90 WeakPolarHBondContact CD2-OG 3.27Å; W54-S90 PolarHBondContact NE1-OG 3Å; T82-S90 CarbonylContact O-C 3.57Å; T82-S90 WeakPolarHBondContact O-CA 3.37Å; T82-S90 VanDerWaalsContact O-CB 3.26Å; T82-S90 WeakPolarHBondContact O-CB 3.34Å; T82-S90 PolarHBondContact O-OG 3.45Å; T83-S90 PolarHBondContact OG1-OG 3.14Å
91	S	98.1	Very high	96.2	Very high	26 Å²	26	52.8 Å²	52.8	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.9	165.4	56.3	0	0	0	0	111.4	L41 S81 T82	L41-S91 CarbonylContact O-C 3.52Å; L41-S91 WeakPolarHBondContact O-CA 3.34Å; L41-S91 WeakPolarHBondContact O-CB 3.42Å; S81-S91 VanDerWaalsContact CA-O 3.31Å; S81-S91 WeakPolarHBondContact CA-O 3.35Å; S81-S91 PolarHBondContact OG-O 3.33Å; T82-S91 PolarHBondContact N-O 3.33Å; T82-S91 PolarHBondContact O-N 2.96Å
92	L	98.7	Very high	96.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.8	166.5	179.8	69.3	0	0	0	107.7	E40 L41 W54 L66 F67 L79 T80 Y105	E40-L92 WeakPolarHBondContact CA-O 3.3Å; L41-L92 HydrophobicContact CB-CB 4.41Å; L41-L92 HydrophobicContact CD1-CD2 4.42Å; L41-L92 PolarHBondContact N-O 2.84Å; L41-L92 PolarHBondContact O-N 3.2Å; W54-L92 HydrophobicContact CB-CD2 4.49Å; W54-L92 HydrophobicContact CD2-CB 3.7Å; W54-L92 HydrophobicContact CD2-CD2 4.05Å; W54-L92 HydrophobicContact CD2-CG 4.36Å; W54-L92 HydrophobicContact CE3-CB 3.99Å; W54-L92 HydrophobicContact CE3-CD2 3.86Å; W54-L92 HydrophobicContact CG-CB 4.23Å; W54-L92 HydrophobicContact CG-CD1 4.39Å; W54-L92 HydrophobicContact CG-CD2 4.34Å; W54-L92 HydrophobicContact CH2-CB 4.07Å; W54-L92 HydrophobicContact CZ2-CB 3.8Å; W54-L92 HydrophobicContact CZ3-CB 4.17Å; W54-L92 HydrophobicContact CZ3-CD2 4.42Å; L66-L92 HydrophobicContact CD1-CD2 4.04Å; F67-L92 HydrophobicContact CD2-CD1 3.83Å; F67-L92 HydrophobicContact CE2-CD1 3.74Å; L79-L92 HydrophobicContact CB-CD1 4.46Å; T80-L92 CarbonylContact O-C 3.43Å; T80-L92 WeakPolarHBondContact O-CA 3.35Å; L92-Y105 HydrophobicContact CD2-CD1 3.49Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.49Å; L92-Y105 HydrophobicContact CD2-CE1 3.96Å; L92-Y105 HydrophobicContact CD2-CG 4.33Å
93	H	98.6	Very high	96	Very high	56 Å²	56	56.3 Å²	56.3	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.1	175.3	176.7	-88.1	0	0	0	109.8	A39 L79 T80	A39-H93 CarbonylContact O-C 3.57Å; A39-H93 VanDerWaalsContact O-CA 3.31Å; A39-H93 WeakPolarHBondContact O-CA 3.35Å; L79-H93 CarbonylContact C-O 3.55Å; L79-H93 VanDerWaalsContact CA-O 3.32Å; L79-H93 WeakPolarHBondContact CA-O 3.31Å; T80-H93 PolarHBondContact N-O 2.82Å; T80-H93 PolarHBondContact O-N 2.84Å
94	I	98.5	Very high	96	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.1	175.6	-48	176.2	0	0	0	106.8	N38 A39 R78 L79 Y105	N38-I94 CarbonylContact C-O 3.57Å; N38-I94 WeakPolarHBondContact CA-O 3.4Å; A39-I94 HydrophobicContact CB-CB 4.1Å; A39-I94 HydrophobicContact CB-CD1 4.4Å; A39-I94 HydrophobicContact CB-CG1 4.4Å; A39-I94 PolarHBondContact N-O 2.9Å; A39-I94 PolarHBondContact O-N 2.99Å; R78-I94 WeakPolarHBondContact O-CA 3.43Å; L79-I94 HydrophobicContact CG-CG1 4.32Å; I94-Y105 HydrophobicContact CD1-CE1 3.83Å; I94-Y105 HydrophobicContact CD1-CE2 4.11Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.42Å
95	S	98.4	Very high	96.2	Very high	39 Å²	39	58.6 Å²	58.6	27%	0.273	32%	0.323	S	S	.	.	S	Bend	trans	-85.6	148.1	175.9	63.3	0	0	0	0	111.4	N38 R78 S97	N38-S95 WeakPolarHBondContact OD1-CA 3.37Å; R78-S95 WeakPolarHBondContact CB-O 3.49Å; R78-S95 WeakPolarHBondContact CD-O 3.3Å; R78-S95 PolarHBondContact NH1-O 2.7Å; R78-S95 PolarHBondContact O-N 3.46Å; R78-S95 PolarHBondContact O-OG 3.21Å; S95-S97 PolarHBondContact O-N 2.84Å
96	S	97.9	Very high	96.5	Very high	61 Å²	61	59.9 Å²	59.9	43%	0.427	32%	0.324	S	S	.	.	S	Bend	trans	45.7	64.8	173.9	-169	0	0	0	0	112.1	N38 R78	N38-S96 PolarHBondContact OD1-N 2.79Å; N38-S96 VanDerWaalsContact OD1-N 3.08Å; R78-S96 PolarHBondContact NH1-O 2.95Å
97	S	97.7	Very high	96.8	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.042	30%	0.296	C	S	.	.			trans	-58	142.1	-171.6	-59	0	0	0	0	111.7	E35 G36 E37 S95	E35-S97 CarbonylContact C-O 3.5Å; E35-S97 VanDerWaalsContact CA-O 3.31Å; E35-S97 WeakPolarHBondContact CA-O 3.43Å; G36-S97 PolarHBondContact N-O 3.24Å; E37-S97 WeakPolarHBondContact O-CB 3.21Å; E37-S97 PolarHBondContact O-N 2.95Å; E37-S97 PolarHBondContact O-OG 2.68Å; S95-S97 PolarHBondContact O-N 2.84Å
98	Q	97.1	Very high	96.9	Very high	93 Å²	93	51 Å²	51	44%	0.435	29%	0.287	S	S	.	.			trans	-115.9	154.5	177.5	-61.4	179.2	15.3	0	0	109.6	R78 T100 D101	R78-Q98 VanDerWaalsContact NE-NE2 3.15Å; Q98-T100 PolarHBondContact O-N 2.88Å; Q98-D101 PolarHBondContact N-OD2 2.83Å; Q98-D101 WeakPolarHBondContact O-CB 3.39Å; Q98-D101 PolarHBondContact O-N 2.89Å
99	T	94.8	Very high	96.8	Very high	96 Å²	96	46.6 Å²	46.6	59%	0.589	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-51.7	-30.7	172.6	36.1	0	0	0	0	113.5	E35 D101 S102	E35-T99 HydrophobicContact CG-CG2 4.08Å; E35-T99 VanDerWaalsContact OE1-CB 3.23Å; E35-T99 WeakPolarHBondContact OE1-CB 3.33Å; E35-T99 WeakPolarHBondContact OE1-CG2 3.34Å; E35-T99 PolarHBondContact OE1-N 3.4Å; E35-T99 PolarHBondContact OE1-OG1 3.18Å; T99-D101 VanDerWaalsContact C-N 3.28Å; T99-D101 PolarHBondContact O-N 2.96Å; T99-S102 VanDerWaalsContact O-CB 3.23Å; T99-S102 WeakPolarHBondContact O-CB 3.11Å; T99-S102 PolarHBondContact O-N 2.86Å; T99-S102 PolarHBondContact O-OG 3.12Å
100	T	94.2	Very high	96.3	Very high	94 Å²	94	46.2 Å²	46.2	58%	0.577	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-71	-15.6	176.9	53.1	0	0	0	0	114.9	Y56 Q98	Y56-T100 PolarHBondContact OH-O 3.16Å; Q98-T100 PolarHBondContact O-N 2.88Å
101	D	95.8	Very high	96.2	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.128	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-79.1	-10.2	172.9	-59.3	-38.5	0	0	0	112	R78 Q98 T99 G103 Y105	R78-D101 IonicContact CZ-OD1 3.74Å; R78-D101 IonicContact CZ-OD2 3.22Å; R78-D101 IonicContact NH1-OD1 3.81Å; R78-D101 IonicContact NH1-OD2 2.7Å; R78-D101 PolarHBondContact NH1-OD2 3.05Å; R78-D101 IonicContact NH2-OD1 2.79Å; R78-D101 PolarHBondContact NH2-OD1 3.17Å; R78-D101 IonicContact NH2-OD2 2.88Å; R78-D101 PolarHBondContact NH2-OD2 2.85Å; Q98-D101 PolarHBondContact N-OD2 2.83Å; Q98-D101 WeakPolarHBondContact O-CB 3.39Å; Q98-D101 PolarHBondContact O-N 2.89Å; T99-D101 VanDerWaalsContact C-N 3.28Å; T99-D101 PolarHBondContact O-N 2.96Å; D101-G103 PolarHBondContact O-N 3.26Å; D101-G103 VanDerWaalsContact O-N 3.14Å; D101-Y105 WeakPolarHBondContact O-CE2 3.28Å; D101-Y105 PolarHBondContact O-OH 2.88Å; D101-Y105 VanDerWaalsContact O-OH 3.06Å
102	S	95.6	Very high	96.1	Very high	75 Å²	75	49.6 Å²	49.6	52%	0.524	30%	0.298	S	S	.	.			trans	-63.7	116.2	179.8	-56.3	0	0	0	0	111.2	Y56 P59 T99	Y56-S102 PolarHBondContact OH-O 3.04Å; P59-S102 WeakPolarHBondContact CD-O 3.42Å; T99-S102 VanDerWaalsContact O-CB 3.23Å; T99-S102 WeakPolarHBondContact O-CB 3.11Å; T99-S102 PolarHBondContact O-N 2.86Å; T99-S102 PolarHBondContact O-OG 3.12Å
103	G	96.3	Very high	96	Very high	39 Å²	39	52.4 Å²	52.4	40%	0.402	31%	0.314	S	S	.	.	S	Bend	trans	171.2	-161.8	175.2	0	0	0	0	0	111.3	D101	D101-G103 PolarHBondContact O-N 3.26Å; D101-G103 VanDerWaalsContact O-N 3.14Å
104	T	97.4	Very high	95.8	Very high	70 Å²	70	52.2 Å²	52.2	43%	0.429	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	-175.8	-48.3	0	0	0	0	110.4	Q57 F106	Q57-T104 PolarHBondContact N-O 3.2Å; Q57-T104 PolarHBondContact O-N 3.38Å; T104-F106 HydrophobicContact CG2-CD1 4.41Å; T104-F106 HydrophobicContact CG2-CD2 4.25Å; T104-F106 HydrophobicContact CG2-CE1 3.74Å; T104-F106 HydrophobicContact CG2-CE2 3.54Å; T104-F106 HydrophobicContact CG2-CZ 3.26Å
105	Y	97.9	Very high	95.6	Very high	26 Å²	26	55.1 Å²	55.1	10%	0.102	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.8	176.6	-68.4	-98	0	0	0	109.8	Q26 L41 F55 Y56 L66 L92 I94 D101	Q26-Y105 PolarHBondContact NE2-O 3.36Å; L41-Y105 HydrophobicContact CD1-CD1 4.37Å; L41-Y105 HydrophobicContact CD1-CD2 4.02Å; L41-Y105 HydrophobicContact CD1-CG 3.68Å; F55-Y105 VanDerWaalsContact O-CA 3.3Å; F55-Y105 WeakPolarHBondContact O-CA 3.39Å; Y56-Y105 HydrophobicContact CD2-CD1 4.21Å; Y56-Y105 HydrophobicContact CD2-CD2 4.25Å; Y56-Y105 AromaticContact CD2-CE1 3.79Å; Y56-Y105 HydrophobicContact CD2-CE1 3.79Å; Y56-Y105 AromaticContact CD2-CE2 3.81Å; Y56-Y105 HydrophobicContact CD2-CE2 3.81Å; Y56-Y105 HydrophobicContact CD2-CG 4.43Å; Y56-Y105 AromaticContact CD2-CZ 3.56Å; Y56-Y105 HydrophobicContact CE2-CE2 4.03Å; Y56-Y105 AromaticContact CE2-CZ 3.97Å; Y56-Y105 HydrophobicContact CG-CE1 4.18Å; L66-Y105 HydrophobicContact CD1-CD1 3.83Å; L66-Y105 HydrophobicContact CD1-CE1 3.79Å; L92-Y105 HydrophobicContact CD2-CD1 3.49Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.49Å; L92-Y105 HydrophobicContact CD2-CE1 3.96Å; L92-Y105 HydrophobicContact CD2-CG 4.33Å; I94-Y105 HydrophobicContact CD1-CE1 3.83Å; I94-Y105 HydrophobicContact CD1-CE2 4.11Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.42Å; D101-Y105 WeakPolarHBondContact O-CE2 3.28Å; D101-Y105 PolarHBondContact O-OH 2.88Å; D101-Y105 VanDerWaalsContact O-OH 3.06Å
106	F	96.9	Very high	95.4	Very high	79 Å²	79	56.1 Å²	56.1	35%	0.346	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.8	178.8	-57.8	-82.8	0	0	0	109.8	W54 F55 Q57 L63 T104	W54-F106 CarbonylContact C-O 3.59Å; W54-F106 WeakPolarHBondContact CA-O 2.93Å; F55-F106 HydrophobicContact CB-CB 4.34Å; F55-F106 PolarHBondContact N-O 2.82Å; F55-F106 PolarHBondContact O-N 3.48Å; Q57-F106 HydrophobicContact CB-CD2 4.4Å; Q57-F106 HydrophobicContact CB-CE2 3.8Å; L63-F106 HydrophobicContact CD1-CD2 3.94Å; L63-F106 HydrophobicContact CD1-CE2 4.3Å; T104-F106 HydrophobicContact CG2-CD1 4.41Å; T104-F106 HydrophobicContact CG2-CD2 4.25Å; T104-F106 HydrophobicContact CG2-CE1 3.74Å; T104-F106 HydrophobicContact CG2-CE2 3.54Å; T104-F106 HydrophobicContact CG2-CZ 3.26Å
107	C	96.7	Very high	95.3	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.074	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.4	161.9	66.5	0	0	0	0	110.2	V24 Q26 C43 Q53 W54	V24-C107 WeakPolarHBondContact CG1-SG 3.5Å; Q26-C107 WeakPolarHBondContact CG-SG 3.3Å; Q26-C107 PolarHBondContact OE1-SG 3.41Å; C43-C107 HydrophobicContact CB-CB 3.62Å; C43-C107 WeakPolarHBondContact CB-SG 3.43Å; C43-C107 WeakPolarHBondContact SG-CB 2.98Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 2.8Å; Q53-C107 CarbonylContact O-C 3.56Å; Q53-C107 VanDerWaalsContact O-CA 3.28Å; Q53-C107 WeakPolarHBondContact O-CA 3.16Å; W54-C107 HydrophobicContact CD2-CB 3.99Å; W54-C107 HydrophobicContact CE3-CB 3.81Å; W54-C107 HydrophobicContact CH2-CB 3.93Å; W54-C107 HydrophobicContact CZ2-CB 4.08Å; W54-C107 HydrophobicContact CZ3-CB 3.78Å
108	A	95.3	Very high	95.1	Very high	42 Å²	42	59.6 Å²	59.6	35%	0.347	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.9	171.1	0	0	0	0	0	109.6	L52 Q53 F55	L52-A108 WeakPolarHBondContact CA-O 3.15Å; Q53-A108 PolarHBondContact N-O 2.81Å; Q53-A108 PolarHBondContact O-N 2.86Å; F55-A108 HydrophobicContact CE2-CB 3.95Å
109	I	93.4	Very high	94.9	Very high	21 Å²	21	56.8 Å²	56.8	11%	0.108	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.5	174.4	54.9	165.2	0	0	0	110.2	Q22 V24 F45 S47 A49 R51 L52	Q22-I109 HydrophobicContact CB-CD1 4Å; Q22-I109 HydrophobicContact CB-CG1 4.3Å; Q22-I109 HydrophobicContact CG-CD1 4.33Å; V24-I109 HydrophobicContact CG2-CD1 4.19Å; V24-I109 HydrophobicContact CG2-CG1 3.82Å; F45-I109 HydrophobicContact CB-CD1 3.81Å; F45-I109 HydrophobicContact CB-CG2 4.19Å; F45-I109 HydrophobicContact CD1-CG2 3.79Å; F45-I109 HydrophobicContact CD2-CD1 4.16Å; F45-I109 HydrophobicContact CD2-CG2 4.17Å; F45-I109 HydrophobicContact CE1-CG2 4.16Å; F45-I109 HydrophobicContact CE2-CG2 4.5Å; F45-I109 HydrophobicContact CG-CD1 4.18Å; F45-I109 HydrophobicContact CG-CG2 3.8Å; F45-I109 HydrophobicContact CZ-CG2 4.49Å; S47-I109 VanDerWaalsContact OG-CD1 3.3Å; S47-I109 WeakPolarHBondContact OG-CD1 3.32Å; A49-I109 HydrophobicContact CB-CB 3.68Å; A49-I109 HydrophobicContact CB-CD1 4.11Å; A49-I109 HydrophobicContact CB-CG1 4.49Å; A49-I109 HydrophobicContact CB-CG2 3.81Å; R51-I109 WeakPolarHBondContact O-CA 2.89Å; L52-I109 HydrophobicContact CB-CG2 4.36Å; L52-I109 HydrophobicContact CD1-CG2 4.01Å; L52-I109 HydrophobicContact CG-CG2 4.35Å
110	D	84.8	Confident	94.9	Very high	105 Å²	105	53.3 Å²	53.3	56%	0.561	33%	0.327	S	S	*	.			trans	-112	0	168.9	176.7	42.5	0	0	0	109.2	Q22 T50 R51	Q22-D110 PolarHBondContact NE2-OXT 3.48Å; T50-D110 PolarHBondContact N-O 3.36Å; T50-D110 PolarHBondContact OG1-O 2.77Å; R51-D110 HydrophobicContact CB-CB 4.47Å; R51-D110 IonicContact CZ-OD2 3.46Å; R51-D110 PolarHBondContact N-O 2.99Å; R51-D110 IonicContact NE-OD2 3.05Å; R51-D110 PolarHBondContact NE-OD2 3.05Å; R51-D110 IonicContact NH2-OD2 2.99Å; R51-D110 PolarHBondContact NH2-OD2 3.24Å; R51-D110 PolarHBondContact O-N 2.75Å

Retrieved 110 of 110 residues in 128.9 ms (Link to these results)

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