A0A075B637_MOUSE Loading...

T cell receptor alpha variable 7-2

AlphaFold DB (Q5R1I3), UniProt , Accession A0A075B637, Species MOUSE (Mus musculus, Mouse), Gene Trav7-2, Length 112 aa.

						>A0A075B637_MOUSE|A0A075B637|Trav7-2
MKSFSISLVVLWLQLNWVNSQQKVQQSPESLIVPEGGMASLNCTSSDRNVDYFWWYRQHSGKSPKMLMSIFSNGEKEEGRFTVHLNKASLHTSLHIRDSQPSDSALYLCAAS
					

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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	46.4	Very low	65.9	Low	248 Å²	248	144.4 Å²	144.4	100%	1.222	79%	0.785	S	S	*	*				0	106.9	0	-67.5	156	73.9	0	0	107.4
2	K	49.9	Very low	66.2	Low	195 Å²	195	150.3 Å²	150.3	85%	0.848	79%	0.788	S	S	*	*			trans	-90.2	114.7	179.9	-81.1	178.1	175.3	176.5	0	108.2
3	S	57.1	Low	66.4	Low	121 Å²	121	149.5 Å²	149.5	85%	0.846	78%	0.783	S	S	*	*			trans	-78.6	117.8	176.1	-173.6	0	0	0	0	109	S5	S3-S5 PolarHBondContact O-N 3.33Å
4	F	65.8	Low	66.6	Low	187 Å²	187	150.1 Å²	150.1	82%	0.82	78%	0.78	S	S	*	*			trans	-83.4	110.3	172.5	-70.6	-84.9	0	0	0	108.4	I6	F4-I6 PolarHBondContact O-N 3.47Å
5	S	68.5	Low	66.5	Low	106 Å²	106	151.1 Å²	151.1	74%	0.741	79%	0.785	S	S	*	*			trans	-77.8	115.8	173.1	-171.4	0	0	0	0	109	S3 S7	S3-S5 PolarHBondContact O-N 3.33Å; S5-S7 PolarHBondContact O-N 3.2Å
6	I	74.2	Confident	66.5	Low	146 Å²	146	150.1 Å²	150.1	75%	0.749	78%	0.781	S	S	*	*			trans	-86.9	99.8	174.3	-59.1	173.7	0	0	0	107.3	F4 L8	F4-I6 PolarHBondContact O-N 3.47Å; I6-L8 HydrophobicContact CG2-CD1 4.05Å; I6-L8 PolarHBondContact O-N 3.47Å
7	S	70.1	Confident	66.7	Low	99 Å²	99	154.8 Å²	154.8	69%	0.692	79%	0.787	S	S	*	*			trans	-80.7	102.3	169.7	-68.9	0	0	0	0	109.6	S5 V9	S5-S7 PolarHBondContact O-N 3.2Å; S7-V9 PolarHBondContact O-N 3.39Å
8	L	71.5	Confident	66.7	Low	145 Å²	145	153.5 Å²	153.5	76%	0.759	79%	0.787	S	S	*	*			trans	-77.1	93.8	167.1	-104.5	111.2	0	0	0	109	I6 V10	I6-L8 HydrophobicContact CG2-CD1 4.05Å; I6-L8 PolarHBondContact O-N 3.47Å; L8-V10 HydrophobicContact CD2-CG2 4.32Å; L8-V10 PolarHBondContact O-N 3.1Å
9	V	77.7	Confident	66.7	Low	120 Å²	120	151.9 Å²	151.9	73%	0.727	78%	0.781	S	S	*	*			trans	-81.3	94.5	169.3	-178.2	0	0	0	0	107.9	S7 L11	S7-V9 PolarHBondContact O-N 3.39Å; V9-L11 HydrophobicContact CG1-CD1 4.11Å; V9-L11 PolarHBondContact O-N 3.18Å
10	V	75.6	Confident	66.7	Low	86 Å²	86	149.1 Å²	149.1	52%	0.521	78%	0.775	S	S	.	*			trans	-80.8	92.9	173.1	-176.3	0	0	0	0	107.8	L8 W12	L8-V10 HydrophobicContact CD2-CG2 4.32Å; L8-V10 PolarHBondContact O-N 3.1Å; V10-W12 PolarHBondContact O-N 3.22Å; V10-W12 VanDerWaalsContact O-N 3.1Å
11	L	67.9	Low	66.7	Low	135 Å²	135	149.5 Å²	149.5	71%	0.707	77%	0.773	S	S	*	*			trans	-74	100.1	174.1	-140	83.2	0	0	0	108	V9 L13	V9-L11 HydrophobicContact CG1-CD1 4.11Å; V9-L11 PolarHBondContact O-N 3.18Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 3.2Å
12	W	69.8	Low	67.7	Low	216 Å²	216	144.7 Å²	144.7	82%	0.818	75%	0.748	S	S	*	*			trans	-67.3	88.7	171.4	-60.2	-64.5	0	0	0	109	V10 Q14	V10-W12 PolarHBondContact O-N 3.22Å; V10-W12 VanDerWaalsContact O-N 3.1Å; W12-Q14 VanDerWaalsContact C-N 3.32Å; W12-Q14 PolarHBondContact O-N 2.92Å
13	L	68.3	Low	69.4	Low	139 Å²	139	140.3 Å²	140.3	73%	0.728	73%	0.729	S	S	*	*			trans	-62.7	101.8	163.7	-75.9	157.9	0	0	0	106.1	L11 L15	L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 3.2Å; L13-L15 PolarHBondContact O-N 3.47Å
14	Q	69.5	Low	71.3	Confident	158 Å²	158	135.7 Å²	135.7	74%	0.738	70%	0.695	S	S	*	*			trans	-56.7	95.2	166	-64.6	-83	-34	0	0	105.8	W12 N16	W12-Q14 VanDerWaalsContact C-N 3.32Å; W12-Q14 PolarHBondContact O-N 2.92Å; Q14-N16 PolarHBondContact O-N 2.96Å
15	L	65.1	Low	72.7	Confident	165 Å²	165	133.9 Å²	133.9	86%	0.864	69%	0.69	S	S	*	*			trans	-68.7	81.8	171.2	-70.9	172.2	0	0	0	105.7	L13 W17	L13-L15 PolarHBondContact O-N 3.47Å; L15-W17 PolarHBondContact O-N 2.79Å
16	N	66.7	Low	74.1	Confident	135 Å²	135	131.8 Å²	131.8	72%	0.722	67%	0.668	S	S	*	*			trans	-53.4	119	169.3	-71.9	-57.9	0	0	0	106.3	Q14 V18	Q14-N16 PolarHBondContact O-N 2.96Å; N16-V18 PolarHBondContact O-N 2.94Å
17	W	70.2	Confident	75.3	Confident	230 Å²	230	127.5 Å²	127.5	87%	0.871	65%	0.651	S	S	*	*			trans	-55.3	103.5	-177.5	-172.5	-64.5	0	0	0	108.9	L15 N19	L15-W17 PolarHBondContact O-N 2.79Å; W17-N19 PolarHBondContact O-N 2.84Å; W17-N19 VanDerWaalsContact O-N 3.12Å
18	V	67.2	Low	76.6	Confident	132 Å²	132	125.3 Å²	125.3	80%	0.8	63%	0.634	S	S	*	*			trans	-75.3	103.7	172.4	173.7	0	0	0	0	106.5	N16 S20	N16-V18 PolarHBondContact O-N 2.94Å; V18-S20 PolarHBondContact O-N 2.82Å
19	N	65.2	Low	77.8	Confident	124 Å²	124	127.8 Å²	127.8	66%	0.663	64%	0.642	S	S	*	*			trans	-83.9	95.2	172.2	-165.1	0.1	0	0	0	108.6	W17 Q21	W17-N19 PolarHBondContact O-N 2.84Å; W17-N19 VanDerWaalsContact O-N 3.12Å; N19-Q21 PolarHBondContact O-N 2.94Å
20	S	66.5	Low	78.7	Confident	95 Å²	95	127 Å²	127	66%	0.664	64%	0.641	S	S	*	*			trans	-76.2	111.9	167.5	-176.9	0	0	0	0	107.9	V18 Q22	V18-S20 PolarHBondContact O-N 2.82Å; S20-Q22 VanDerWaalsContact C-N 3.29Å; S20-Q22 PolarHBondContact O-N 3.35Å
21	Q	67.5	Low	79.8	Confident	158 Å²	158	127 Å²	127	74%	0.738	64%	0.638	S	S	*	*			trans	-69	93.7	169	-75.6	-174.4	1.1	0	0	108	N19 K23	N19-Q21 PolarHBondContact O-N 2.94Å; Q21-K23 PolarHBondContact O-N 3.48Å
22	Q	68.1	Low	81.2	Confident	147 Å²	147	128.6 Å²	128.6	69%	0.687	65%	0.646	S	S	*	*			trans	-66.1	105.9	174.3	-179.8	168.4	-14.4	0	0	108.8	S20 V24	S20-Q22 VanDerWaalsContact C-N 3.29Å; S20-Q22 PolarHBondContact O-N 3.35Å; Q22-V24 VanDerWaalsContact C-N 3.33Å; Q22-V24 WeakPolarHBondContact CG-O 3.41Å; Q22-V24 PolarHBondContact NE2-O 2.92Å
23	K	85.8	Confident	82.5	Confident	103 Å²	103	120.3 Å²	120.3	45%	0.448	62%	0.619	S	S	.	*			trans	-81.8	-10.5	-176.1	-65.4	-176.3	173.4	-163.2	0	114.1	Q21 S45 S46 D47	Q21-K23 PolarHBondContact O-N 3.48Å; K23-S45 WeakPolarHBondContact O-CA 3.28Å; K23-S45 WeakPolarHBondContact O-CB 3.36Å; K23-S45 PolarHBondContact O-OG 2.72Å; K23-S46 PolarHBondContact O-N 2.82Å; K23-D47 HydrophobicContact CB-CB 4.39Å; K23-D47 HydrophobicContact CD-CB 4.11Å; K23-D47 WeakPolarHBondContact CD-OD2 3.38Å; K23-D47 WeakPolarHBondContact CE-OD2 3.14Å; K23-D47 HydrophobicContact CG-CB 4.44Å; K23-D47 IonicContact NZ-OD2 2.72Å; K23-D47 PolarHBondContact NZ-OD2 3.42Å
24	V	95.4	Very high	83.9	Confident	24 Å²	24	118.3 Å²	118.3	15%	0.145	61%	0.614	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.5	137	-178.7	-64	0	0	0	0	111.1	Q22 T44 A111	Q22-V24 VanDerWaalsContact C-N 3.33Å; Q22-V24 WeakPolarHBondContact CG-O 3.41Å; Q22-V24 PolarHBondContact NE2-O 2.92Å; V24-T44 CarbonylContact C-O 3.6Å; V24-T44 WeakPolarHBondContact CA-O 3.41Å; V24-A111 HydrophobicContact CG1-CB 3.45Å; V24-A111 VanDerWaalsContact CG1-CB 3.45Å
25	Q	96.6	Very high	85.3	Confident	149 Å²	149	118 Å²	118	70%	0.696	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113	119.4	175	-175.3	175.3	-16.7	0	0	109	C43 T44	Q25-C43 WeakPolarHBondContact O-CA 3.44Å; Q25-T44 PolarHBondContact N-O 2.81Å; Q25-T44 PolarHBondContact O-N 3.09Å
26	Q	97.9	Very high	86.9	Confident	62 Å²	62	112.3 Å²	112.3	29%	0.29	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.1	146.8	178.7	-71.9	-174.3	-114.6	0	0	111.8	N42 C43 Y107 C109	Q26-N42 CarbonylContact C-O 3.58Å; Q26-N42 VanDerWaalsContact CA-O 3.25Å; Q26-N42 WeakPolarHBondContact CA-O 3.48Å; Q26-C43 HydrophobicContact CG-CB 4.2Å; Q26-Y107 PolarHBondContact NE2-O 2.85Å; Q26-Y107 VanDerWaalsContact NE2-O 3.09Å; Q26-C109 VanDerWaalsContact CD-N 3.26Å; Q26-C109 HydrophobicContact CG-CB 3.71Å
27	S	98.3	Very high	88.4	Confident	56 Å²	56	106.8 Å²	106.8	39%	0.392	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152	150.3	171	60.1	0	0	0	0	112.3	N42	S27-N42 PolarHBondContact N-O 2.96Å; S27-N42 WeakPolarHBondContact O-CA 3.45Å; S27-N42 WeakPolarHBondContact O-CB 3.46Å; S27-N42 PolarHBondContact O-N 2.87Å
28	P	98.3	Very high	89.7	Confident	52 Å²	52	102 Å²	102	34%	0.338	56%	0.557	S	S	.	*			cis	-68.6	166.1	-12.9	33.9	-38.6	0	0	0	111.8	S30 L31	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.41Å; P28-S30 WeakPolarHBondContact CG-O 3.32Å; P28-L31 HydrophobicContact CG-CB 3.91Å; P28-L31 HydrophobicContact CG-CD1 4.36Å
29	E	96.7	Very high	91.2	Very high	198 Å²	198	96.1 Å²	96.1	93%	0.925	52%	0.523	S	S	*	.	S	Bend	trans	-68.4	-34.6	175.1	-176.4	178.7	-179.2	0	0	111.9
30	S	97.3	Very high	92.8	Very high	102 Å²	102	92.2 Å²	92.2	71%	0.713	51%	0.505	S	S	*	.			trans	-142.9	150.4	172.9	61.2	0	0	0	0	109.9	P28	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.41Å; P28-S30 WeakPolarHBondContact CG-O 3.32Å
31	L	97.2	Very high	94.4	Very high	86 Å²	86	88.7 Å²	88.7	45%	0.45	48%	0.479	S	S	.	.			trans	-143.4	134.8	179.3	-177.8	65.7	0	0	0	109	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.91Å; P28-L31 HydrophobicContact CG-CD1 4.36Å; L31-V33 HydrophobicContact CD1-CG2 4.35Å; L31-V33 HydrophobicContact CD2-CG2 3.54Å; L31-V33 HydrophobicContact CG-CG2 3.57Å; L31-A39 HydrophobicContact CD2-CB 4.09Å
32	I	98	Very high	95.8	Very high	169 Å²	169	83.3 Å²	83.3	87%	0.867	46%	0.456	S	S	*	.			trans	-111.9	125.4	171.2	-59	174.5	0	0	0	106.8
33	V	97.6	Very high	97.3	Very high	43 Å²	43	76.3 Å²	76.3	26%	0.261	42%	0.423	S	S	.	.			trans	-126.5	132.4	-177.8	-171.1	0	0	0	0	108.3	L31 A39	L31-V33 HydrophobicContact CD1-CG2 4.35Å; L31-V33 HydrophobicContact CD2-CG2 3.54Å; L31-V33 HydrophobicContact CG-CG2 3.57Å; V33-A39 HydrophobicContact CG2-CB 3.8Å
34	P	97.9	Very high	97.8	Very high	96 Å²	96	74.1 Å²	74.1	62%	0.623	42%	0.418	S	S	*	.			trans	-65.4	154.2	173	28.6	-34.7	0	0	0	110.9	G36 G37	P34-G36 PolarHBondContact O-N 3.03Å; P34-G37 WeakPolarHBondContact O-CA 3.28Å; P34-G37 PolarHBondContact O-N 2.83Å
35	E	98.1	Very high	97.9	Very high	152 Å²	152	73.3 Å²	73.3	71%	0.71	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	138.9	171.4	-65.4	-176.2	-142.9	0	0	110.8	G37 S99 P101	E35-G37 PolarHBondContact O-N 3.21Å; E35-S99 CarbonylContact C-O 3.59Å; E35-S99 WeakPolarHBondContact CA-O 3.45Å; E35-P101 VanDerWaalsContact CD-CG 3.46Å; E35-P101 HydrophobicContact CG-CG 4.01Å; E35-P101 WeakPolarHBondContact OE1-CG 3.35Å
36	G	98.3	Very high	97.7	Very high	46 Å²	46	70.9 Å²	70.9	47%	0.474	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-10.1	-172.3	0	0	0	0	0	114.7	P34 S99	P34-G36 PolarHBondContact O-N 3.03Å; G36-S99 PolarHBondContact N-O 3.04Å
37	G	98.4	Very high	97.4	Very high	18 Å²	18	69.5 Å²	69.5	19%	0.186	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-72.2	171.8	177.5	0	0	0	0	0	113.8	P34 E35 D98 S99	P34-G37 WeakPolarHBondContact O-CA 3.28Å; P34-G37 PolarHBondContact O-N 2.83Å; E35-G37 PolarHBondContact O-N 3.21Å; G37-D98 PolarHBondContact O-N 3.19Å; G37-S99 VanDerWaalsContact O-CB 3.28Å; G37-S99 WeakPolarHBondContact O-CB 3.2Å; G37-S99 PolarHBondContact O-N 3.37Å; G37-S99 PolarHBondContact O-OG 2.61Å
38	M	98.4	Very high	97	Very high	129 Å²	129	77.6 Å²	77.6	64%	0.635	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-102.7	121.1	176.8	-174.3	171.7	67.6	0	0	110.6	I96	M38-I96 CarbonylContact C-O 3.58Å; M38-I96 WeakPolarHBondContact CA-O 3.43Å
39	A	98.5	Very high	96.6	Very high	10 Å²	10	81.4 Å²	81.4	8%	0.083	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.4	170	0	0	0	0	0	110.3	L31 V33 H95 I96	L31-A39 HydrophobicContact CD2-CB 4.09Å; V33-A39 HydrophobicContact CG2-CB 3.8Å; A39-H95 CarbonylContact O-C 3.56Å; A39-H95 VanDerWaalsContact O-CA 3.28Å; A39-H95 WeakPolarHBondContact O-CA 3.38Å; A39-I96 HydrophobicContact CB-CB 4.01Å; A39-I96 HydrophobicContact CB-CD1 4.27Å; A39-I96 HydrophobicContact CB-CG1 4.26Å; A39-I96 PolarHBondContact N-O 3.42Å; A39-I96 PolarHBondContact O-N 3.37Å
40	S	98.5	Very high	96.3	Very high	41 Å²	41	72.6 Å²	72.6	29%	0.287	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.5	175.6	-174.6	0	0	0	0	110.1	H95	S40-H95 PolarHBondContact OG-CD2 2.91Å; S40-H95 PolarHBondContact OG-NE2 3.27Å
41	L	98.8	Very high	96	Very high	22 Å²	22	72.1 Å²	72.1	12%	0.115	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142	176.4	-63.3	166	0	0	0	108.8	W55 S93 L94 Y107	L41-W55 HydrophobicContact CB-CH2 3.69Å; L41-W55 HydrophobicContact CB-CZ3 3.86Å; L41-W55 HydrophobicContact CD1-CZ3 4.29Å; L41-S93 CarbonylContact O-C 3.6Å; L41-S93 WeakPolarHBondContact O-CA 3.36Å; L41-S93 WeakPolarHBondContact O-CB 3.45Å; L41-L94 HydrophobicContact CB-CB 4.43Å; L41-L94 HydrophobicContact CD1-CD2 4.2Å; L41-L94 PolarHBondContact N-O 2.98Å; L41-L94 PolarHBondContact O-N 3.32Å; L41-Y107 VanDerWaalsContact CD1-CB 3.43Å; L41-Y107 HydrophobicContact CD1-CD1 4.06Å; L41-Y107 HydrophobicContact CD1-CD2 4.12Å; L41-Y107 HydrophobicContact CD1-CG 3.62Å
42	N	98.6	Very high	95.9	Very high	45 Å²	45	73.3 Å²	73.3	24%	0.241	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.7	-176.4	-64.6	-72	0	0	0	109.9	Q26 S27 H91	Q26-N42 CarbonylContact C-O 3.58Å; Q26-N42 VanDerWaalsContact CA-O 3.25Å; Q26-N42 WeakPolarHBondContact CA-O 3.48Å; S27-N42 PolarHBondContact N-O 2.96Å; S27-N42 WeakPolarHBondContact O-CA 3.45Å; S27-N42 WeakPolarHBondContact O-CB 3.46Å; S27-N42 PolarHBondContact O-N 2.87Å; N42-H91 PolarHBondContact OD1-CE1 3.05Å
43	C	98.3	Very high	95.9	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	127.1	175.6	176.3	0	0	0	0	109.9	Q25 Q26 W55 H91 T92 C109	Q25-C43 WeakPolarHBondContact O-CA 3.44Å; Q26-C43 HydrophobicContact CG-CB 4.2Å; C43-W55 HydrophobicContact CB-CH2 3.81Å; C43-W55 HydrophobicContact CB-CZ2 3.67Å; C43-H91 CarbonylContact O-C 3.6Å; C43-H91 WeakPolarHBondContact O-CA 3.32Å; C43-T92 HydrophobicContact CB-CG2 3.68Å; C43-T92 PolarHBondContact N-O 2.81Å; C43-T92 PolarHBondContact O-N 3.25Å; C43-T92 VanDerWaalsContact O-O 3.08Å; C43-C109 HydrophobicContact CB-CB 3.46Å; C43-C109 VanDerWaalsContact CB-CB 3.46Å; C43-C109 WeakPolarHBondContact CB-SG 3Å; C43-C109 WeakPolarHBondContact SG-CB 3.35Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 2.97Å
44	T	97.6	Very high	95.9	Very high	57 Å²	57	66.9 Å²	66.9	35%	0.35	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.2	176.4	-56.3	0	0	0	0	109.2	V24 Q25 L90 H91	V24-T44 CarbonylContact C-O 3.6Å; V24-T44 WeakPolarHBondContact CA-O 3.41Å; Q25-T44 PolarHBondContact N-O 2.81Å; Q25-T44 PolarHBondContact O-N 3.09Å; T44-L90 CarbonylContact C-O 3.5Å; T44-L90 WeakPolarHBondContact CA-O 3.45Å; T44-H91 PolarHBondContact OG1-ND1 2.85Å
45	S	96	Very high	95.9	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.2	171.8	-168.6	0	0	0	0	112	K23 D47 L90	K23-S45 WeakPolarHBondContact O-CA 3.28Å; K23-S45 WeakPolarHBondContact O-CB 3.36Å; K23-S45 PolarHBondContact O-OG 2.72Å; S45-D47 PolarHBondContact OG-N 3.45Å; S45-D47 VanDerWaalsContact OG-N 3.14Å; S45-L90 PolarHBondContact N-O 2.77Å; S45-L90 WeakPolarHBondContact O-CB 3.36Å
46	S	93.7	Very high	95.9	Very high	99 Å²	99	58.5 Å²	58.5	69%	0.692	31%	0.306	S	S	*	.			trans	-88.1	-9.2	168.3	61.5	0	0	0	0	112.8	K23	K23-S46 PolarHBondContact O-N 2.82Å
47	D	91.4	Very high	95.9	Very high	33 Å²	33	58 Å²	58	18%	0.176	29%	0.29	C	S	.	.			trans	-89.4	114.9	-178.5	-171.4	-9.9	0	0	0	110.4	K23 S45 N49 V50 L90	K23-D47 HydrophobicContact CB-CB 4.39Å; K23-D47 HydrophobicContact CD-CB 4.11Å; K23-D47 WeakPolarHBondContact CD-OD2 3.38Å; K23-D47 WeakPolarHBondContact CE-OD2 3.14Å; K23-D47 HydrophobicContact CG-CB 4.44Å; K23-D47 IonicContact NZ-OD2 2.72Å; K23-D47 PolarHBondContact NZ-OD2 3.42Å; S45-D47 PolarHBondContact OG-N 3.45Å; S45-D47 VanDerWaalsContact OG-N 3.14Å; D47-N49 PolarHBondContact O-N 2.88Å; D47-N49 WeakPolarHBondContact OD1-CB 3.48Å; D47-N49 PolarHBondContact OD1-N 3.35Å; D47-V50 HydrophobicContact CB-CG2 3.87Å; D47-V50 WeakPolarHBondContact O-CG2 3.38Å; D47-V50 PolarHBondContact O-N 2.91Å; D47-L90 WeakPolarHBondContact O-CD1 3.46Å
48	R	90.2	Very high	95.9	Very high	225 Å²	225	59.8 Å²	59.8	85%	0.849	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.1	-178.7	-66.2	-174.4	178.9	161.3	0.1	114	V50 L90	R48-V50 VanDerWaalsContact C-N 3.3Å; R48-L90 HydrophobicContact CG-CD1 4.21Å
49	N	90.1	Very high	95.9	Very high	133 Å²	133	57.4 Å²	57.4	71%	0.711	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	12.8	177.9	-59.1	-43.5	0	0	0	112.7	D47	D47-N49 PolarHBondContact O-N 2.88Å; D47-N49 WeakPolarHBondContact OD1-CB 3.48Å; D47-N49 PolarHBondContact OD1-N 3.35Å
50	V	89.2	Confident	95.8	Very high	12 Å²	12	62.9 Å²	62.9	7%	0.073	32%	0.318	C	S	.	.			trans	-80.9	128.8	177.8	167.8	0	0	0	0	110.4	D47 R48 F53 A111	D47-V50 HydrophobicContact CB-CG2 3.87Å; D47-V50 WeakPolarHBondContact O-CG2 3.38Å; D47-V50 PolarHBondContact O-N 2.91Å; R48-V50 VanDerWaalsContact C-N 3.3Å; V50-F53 HydrophobicContact CG1-CD2 3.98Å; V50-F53 HydrophobicContact CG1-CE1 4.42Å; V50-F53 HydrophobicContact CG1-CE2 3.48Å; V50-F53 VanDerWaalsContact CG1-CE2 3.48Å; V50-F53 HydrophobicContact CG1-CZ 3.75Å; V50-A111 HydrophobicContact CB-CB 4.35Å; V50-A111 HydrophobicContact CG1-CB 3.68Å; V50-A111 HydrophobicContact CG2-CB 3.7Å
51	D	90.5	Very high	95.7	Very high	93 Å²	93	64.6 Å²	64.6	50%	0.497	34%	0.342	S	S	.	.			trans	-112.1	-26.7	175	-80.2	-43.8	0	0	0	112.7	S112	D51-S112 PolarHBondContact N-O 2.94Å
52	Y	95.3	Very high	95.6	Very high	111 Å²	111	70.2 Å²	70.2	44%	0.435	37%	0.366	S	S	.	.			trans	-125.2	134.7	-173.3	-57.6	-96.7	0	0	0	111.2	W54 F71 A111 S112	Y52-W54 HydrophobicContact CD1-CZ2 4.44Å; Y52-W54 HydrophobicContact CG-CZ2 4.49Å; Y52-F71 HydrophobicContact CD1-CB 3.55Å; Y52-F71 HydrophobicContact CD1-CG 4.33Å; Y52-F71 HydrophobicContact CE1-CB 3.74Å; Y52-F71 HydrophobicContact CE1-CG 4.16Å; Y52-F71 HydrophobicContact CG-CB 4.32Å; Y52-A111 WeakPolarHBondContact O-CA 2.77Å; Y52-S112 PolarHBondContact N-O 2.87Å; Y52-S112 PolarHBondContact O-N 3.05Å
53	F	97.7	Very high	95.6	Very high	3 Å²	3	72 Å²	72	1%	0.013	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.7	168.7	-75.6	-93.6	0	0	0	110.7	V50 S69 I70 L85 L90 T92 A110 A111	V50-F53 HydrophobicContact CG1-CD2 3.98Å; V50-F53 HydrophobicContact CG1-CE1 4.42Å; V50-F53 HydrophobicContact CG1-CE2 3.48Å; V50-F53 VanDerWaalsContact CG1-CE2 3.48Å; V50-F53 HydrophobicContact CG1-CZ 3.75Å; F53-S69 VanDerWaalsContact O-CA 3.25Å; F53-S69 WeakPolarHBondContact O-CA 3.44Å; F53-S69 WeakPolarHBondContact O-CB 3.25Å; F53-I70 HydrophobicContact CB-CG2 4.05Å; F53-I70 PolarHBondContact N-O 2.74Å; F53-I70 PolarHBondContact O-N 2.83Å; F53-L85 HydrophobicContact CD2-CD1 3.53Å; F53-L85 HydrophobicContact CD2-CD2 4.3Å; F53-L85 HydrophobicContact CE2-CD1 3.62Å; F53-L85 HydrophobicContact CG-CD1 4.37Å; F53-L90 HydrophobicContact CZ-CB 4.43Å; F53-L90 WeakPolarHBondContact CZ-O 3.23Å; F53-T92 HydrophobicContact CB-CG2 3.95Å; F53-T92 HydrophobicContact CD1-CG2 3.35Å; F53-T92 HydrophobicContact CE1-CG2 3.98Å; F53-T92 HydrophobicContact CG-CG2 3.78Å; F53-A110 WeakPolarHBondContact CA-O 3.36Å; F53-A111 HydrophobicContact CD1-CB 4.13Å; F53-A111 HydrophobicContact CE1-CB 3.94Å; F53-A111 HydrophobicContact CZ-CB 4.45Å
54	W	97.8	Very high	95.5	Very high	73 Å²	73	74.8 Å²	74.8	28%	0.277	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.7	-176.7	-51.8	86.6	0	0	0	109.4	Y52 Y56 M66 C109 A110 S112	Y52-W54 HydrophobicContact CD1-CZ2 4.44Å; Y52-W54 HydrophobicContact CG-CZ2 4.49Å; W54-Y56 HydrophobicContact CB-CD2 4.21Å; W54-Y56 HydrophobicContact CB-CE2 3.5Å; W54-Y56 HydrophobicContact CG-CE2 4.38Å; W54-M66 HydrophobicContact CE3-CG 4.01Å; W54-M66 HydrophobicContact CZ3-CG 4.48Å; W54-C109 CarbonylContact O-C 3.56Å; W54-C109 WeakPolarHBondContact O-CA 3.34Å; W54-A110 HydrophobicContact CB-CB 4.33Å; W54-A110 PolarHBondContact N-O 3Å; W54-A110 PolarHBondContact O-N 3.48Å; W54-S112 PolarHBondContact NE1-OG 2.82Å
55	W	98.6	Very high	95.6	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.4	168.7	-74.5	97.1	0	0	0	109	L41 C43 L67 M68 T92 L94 L108 C109	L41-W55 HydrophobicContact CB-CH2 3.69Å; L41-W55 HydrophobicContact CB-CZ3 3.86Å; L41-W55 HydrophobicContact CD1-CZ3 4.29Å; C43-W55 HydrophobicContact CB-CH2 3.81Å; C43-W55 HydrophobicContact CB-CZ2 3.67Å; W55-L67 WeakPolarHBondContact O-CA 3.33Å; W55-L67 WeakPolarHBondContact O-CB 3.16Å; W55-L67 PolarHBondContact O-N 2.84Å; W55-M68 PolarHBondContact N-O 2.76Å; W55-M68 PolarHBondContact O-N 2.89Å; W55-T92 HydrophobicContact CZ2-CG2 4.03Å; W55-T92 PolarHBondContact NE1-OG1 2.96Å; W55-L94 HydrophobicContact CB-CD2 4.19Å; W55-L94 HydrophobicContact CD2-CB 3.61Å; W55-L94 HydrophobicContact CD2-CD2 3.94Å; W55-L94 HydrophobicContact CD2-CG 4.37Å; W55-L94 HydrophobicContact CE3-CB 4.02Å; W55-L94 HydrophobicContact CE3-CD2 3.85Å; W55-L94 HydrophobicContact CG-CB 4.01Å; W55-L94 HydrophobicContact CG-CD2 4.11Å; W55-L94 HydrophobicContact CH2-CB 4.24Å; W55-L94 HydrophobicContact CZ2-CB 3.87Å; W55-L94 HydrophobicContact CZ3-CB 4.31Å; W55-L108 CarbonylContact C-O 3.47Å; W55-C109 HydrophobicContact CD2-CB 4.45Å; W55-C109 HydrophobicContact CE3-CB 4.16Å; W55-C109 HydrophobicContact CH2-CB 4.12Å; W55-C109 HydrophobicContact CZ2-CB 4.39Å; W55-C109 HydrophobicContact CZ3-CB 4Å
56	Y	98.5	Very high	95.7	Very high	72 Å²	72	83.8 Å²	83.8	28%	0.282	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	150.9	176	-65.7	-98.5	0	0	0	110	W54 P64 K65 M66 Y107 L108 A110	W54-Y56 HydrophobicContact CB-CD2 4.21Å; W54-Y56 HydrophobicContact CB-CE2 3.5Å; W54-Y56 HydrophobicContact CG-CE2 4.38Å; Y56-P64 HydrophobicContact CD1-CB 4.38Å; Y56-K65 CarbonylContact C-O 3.54Å; Y56-K65 VanDerWaalsContact CA-O 3.25Å; Y56-K65 WeakPolarHBondContact CA-O 3.22Å; Y56-M66 HydrophobicContact CD1-CB 4.17Å; Y56-M66 HydrophobicContact CE1-CB 3.92Å; Y56-Y107 WeakPolarHBondContact O-CA 3.47Å; Y56-L108 PolarHBondContact N-O 2.97Å; Y56-L108 PolarHBondContact O-N 2.66Å; Y56-A110 HydrophobicContact CE2-CB 4.01Å
57	R	98.5	Very high	95.9	Very high	36 Å²	36	80.8 Å²	80.8	14%	0.136	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.2	176.9	-172.6	174.6	-168.6	-144.4	-21.1	110.1	H59 K65 L67 S102 D103 A105 Y107	R57-H59 VanDerWaalsContact CZ-NE2 3.32Å; R57-H59 PolarHBondContact NH2-NE2 2.95Å; R57-K65 PolarHBondContact N-O 2.91Å; R57-K65 PolarHBondContact O-N 2.93Å; R57-L67 HydrophobicContact CB-CB 4.21Å; R57-L67 HydrophobicContact CB-CD2 4.48Å; R57-S102 PolarHBondContact NH2-O 3.23Å; R57-D103 IonicContact NH1-OD1 3.03Å; R57-D103 PolarHBondContact NH2-O 2.94Å; R57-A105 HydrophobicContact CG-CB 3.8Å; R57-Y107 HydrophobicContact CB-CD1 4.48Å; R57-Y107 HydrophobicContact CB-CE1 4.34Å; R57-Y107 HydrophobicContact CG-CD1 4.42Å; R57-Y107 HydrophobicContact CG-CE1 3.99Å; R57-Y107 PolarHBondContact NE-OH 3.24Å
58	Q	98.6	Very high	96.2	Very high	55 Å²	55	79.3 Å²	79.3	26%	0.257	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	106.9	-179.8	-173.8	-179.9	18.4	0	0	110.4	K62 P64 A105 L106	Q58-K62 VanDerWaalsContact CG-O 3.22Å; Q58-K62 WeakPolarHBondContact CG-O 3.4Å; Q58-K62 PolarHBondContact NE2-O 3.09Å; Q58-P64 HydrophobicContact CB-CB 4.28Å; Q58-P64 HydrophobicContact CB-CG 4.22Å; Q58-P64 HydrophobicContact CG-CG 4.18Å; Q58-A105 WeakPolarHBondContact O-CB 3.35Å; Q58-L106 HydrophobicContact CB-CB 4.29Å; Q58-L106 PolarHBondContact N-O 2.86Å; Q58-L106 PolarHBondContact O-N 3.47Å
59	H	98	Very high	96.6	Very high	79 Å²	79	69.8 Å²	69.8	37%	0.366	37%	0.372	S	S	.	.			trans	-70.8	152.8	167.3	-65.5	99.4	0	0	0	110.9	R57 G61 K62 S102	R57-H59 VanDerWaalsContact CZ-NE2 3.32Å; R57-H59 PolarHBondContact NH2-NE2 2.95Å; H59-G61 PolarHBondContact O-N 2.94Å; H59-K62 HydrophobicContact CB-CB 4.37Å; H59-K62 HydrophobicContact CB-CG 4.12Å; H59-K62 WeakPolarHBondContact O-CB 3.41Å; H59-K62 PolarHBondContact O-N 2.81Å; H59-S102 PolarHBondContact NE2-O 3.15Å
60	S	95.7	Very high	96.9	Very high	125 Å²	125	63.9 Å²	63.9	87%	0.874	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	130.3	179	-171.8	0	0	0	0	111.9	K62	S60-K62 PolarHBondContact O-N 2.82Å
61	G	96.5	Very high	97.3	Very high	78 Å²	78	68.7 Å²	68.7	80%	0.804	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	9.6	-178.7	0	0	0	0	0	115.7	H59	H59-G61 PolarHBondContact O-N 2.94Å
62	K	97.4	Very high	97.5	Very high	140 Å²	140	67.2 Å²	67.2	61%	0.609	36%	0.358	S	S	*	.	S	Bend	trans	-113	163.8	176.3	-55.5	-59.2	178.9	-173.7	0	111.1	Q58 H59 S60	Q58-K62 VanDerWaalsContact CG-O 3.22Å; Q58-K62 WeakPolarHBondContact CG-O 3.4Å; Q58-K62 PolarHBondContact NE2-O 3.09Å; H59-K62 HydrophobicContact CB-CB 4.37Å; H59-K62 HydrophobicContact CB-CG 4.12Å; H59-K62 WeakPolarHBondContact O-CB 3.41Å; H59-K62 PolarHBondContact O-N 2.81Å; S60-K62 PolarHBondContact O-N 2.82Å
63	S	97.2	Very high	97.6	Very high	81 Å²	81	66.9 Å²	66.9	57%	0.566	36%	0.364	S	S	*	.			trans	-74.6	152.3	169.8	52.9	0	0	0	0	111.1	K65	S63-K65 PolarHBondContact O-N 2.91Å
64	P	98	Very high	97.6	Very high	60 Å²	60	68.3 Å²	68.3	39%	0.39	38%	0.379	S	S	.	.			trans	-59.1	135.9	170.2	-21	32.2	0	0	0	111.3	Y56 Q58 L108	Y56-P64 HydrophobicContact CD1-CB 4.38Å; Q58-P64 HydrophobicContact CB-CB 4.28Å; Q58-P64 HydrophobicContact CB-CG 4.22Å; Q58-P64 HydrophobicContact CG-CG 4.18Å; P64-L108 HydrophobicContact CB-CD1 4.45Å; P64-L108 HydrophobicContact CG-CD1 4.16Å
65	K	98.3	Very high	97.6	Very high	147 Å²	147	71.2 Å²	71.2	64%	0.639	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	139	173.5	-66.7	-176	177.9	-176.8	0	109.6	Y56 R57 S63 L67	Y56-K65 CarbonylContact C-O 3.54Å; Y56-K65 VanDerWaalsContact CA-O 3.25Å; Y56-K65 WeakPolarHBondContact CA-O 3.22Å; R57-K65 PolarHBondContact N-O 2.91Å; R57-K65 PolarHBondContact O-N 2.93Å; S63-K65 PolarHBondContact O-N 2.91Å; K65-L67 PolarHBondContact O-N 2.89Å
66	M	98.1	Very high	97.6	Very high	104 Å²	104	74.9 Å²	74.9	51%	0.512	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	124.7	174.4	-172.9	-81.2	-67.8	0	0	108.5	W54 Y56	W54-M66 HydrophobicContact CE3-CG 4.01Å; W54-M66 HydrophobicContact CZ3-CG 4.48Å; Y56-M66 HydrophobicContact CD1-CB 4.17Å; Y56-M66 HydrophobicContact CE1-CB 3.92Å
67	L	98.2	Very high	97.6	Very high	36 Å²	36	76.5 Å²	76.5	19%	0.188	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-57.6	178.4	176.9	65.9	0	0	0	109.5	W55 R57 K65 F81 L94 Y107	W55-L67 WeakPolarHBondContact O-CA 3.33Å; W55-L67 WeakPolarHBondContact O-CB 3.16Å; W55-L67 PolarHBondContact O-N 2.84Å; R57-L67 HydrophobicContact CB-CB 4.21Å; R57-L67 HydrophobicContact CB-CD2 4.48Å; K65-L67 PolarHBondContact O-N 2.89Å; L67-F81 HydrophobicContact CD1-CD1 4.32Å; L67-F81 HydrophobicContact CD1-CE1 4.24Å; L67-F81 HydrophobicContact CD1-CE2 4.5Å; L67-F81 HydrophobicContact CD1-CZ 4.35Å; L67-F81 HydrophobicContact CD2-CD1 3.9Å; L67-F81 HydrophobicContact CD2-CE1 4.06Å; L67-F81 HydrophobicContact CG-CD1 4.48Å; L67-L94 HydrophobicContact CD2-CD1 4.26Å; L67-L94 HydrophobicContact CD2-CD2 3.78Å; L67-Y107 HydrophobicContact CD2-CD1 4.12Å; L67-Y107 HydrophobicContact CD2-CE1 3.72Å
68	M	98.1	Very high	97.5	Very high	2 Å²	2	79 Å²	79	1%	0.01	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.1	179.9	-71.9	-175.5	78.3	0	0	110.3	W55 K76 E78 F81 V83	W55-M68 PolarHBondContact N-O 2.76Å; W55-M68 PolarHBondContact O-N 2.89Å; M68-K76 HydrophobicContact CE-CB 4.28Å; M68-K76 HydrophobicContact CE-CD 4.11Å; M68-K76 HydrophobicContact CE-CG 4Å; M68-K76 VanDerWaalsContact CE-O 3.32Å; M68-K76 WeakPolarHBondContact CE-O 3.31Å; M68-E78 HydrophobicContact CE-CB 3.8Å; M68-E78 HydrophobicContact CE-CG 3.74Å; M68-E78 HydrophobicContact SD-CB 4.15Å; M68-F81 HydrophobicContact SD-CB 3.44Å; M68-F81 WeakPolarHBondContact SD-CB 2.94Å; M68-V83 HydrophobicContact CB-CG2 3.74Å; M68-V83 HydrophobicContact CE-CB 4.43Å; M68-V83 HydrophobicContact CE-CG2 4.14Å; M68-V83 HydrophobicContact CG-CG2 4.38Å; M68-V83 HydrophobicContact SD-CG2 3.79Å
69	S	97.5	Very high	97.5	Very high	26 Å²	26	79 Å²	79	18%	0.182	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.4	170.3	66.1	0	0	0	0	111.1	F53 K76	F53-S69 VanDerWaalsContact O-CA 3.25Å; F53-S69 WeakPolarHBondContact O-CA 3.44Å; F53-S69 WeakPolarHBondContact O-CB 3.25Å; S69-K76 WeakPolarHBondContact O-CD 3.47Å
70	I	98.2	Very high	97.5	Very high	9 Å²	9	77.6 Å²	77.6	5%	0.046	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140	178.4	-167.4	162.2	0	0	0	109.7	F53 S72 K76 V83 L85	F53-I70 HydrophobicContact CB-CG2 4.05Å; F53-I70 PolarHBondContact N-O 2.74Å; F53-I70 PolarHBondContact O-N 2.83Å; I70-S72 WeakPolarHBondContact CG1-O 3.09Å; I70-K76 HydrophobicContact CD1-CB 4.19Å; I70-V83 HydrophobicContact CB-CG1 3.93Å; I70-V83 HydrophobicContact CD1-CG1 4.25Å; I70-V83 HydrophobicContact CG2-CG1 3.45Å; I70-V83 VanDerWaalsContact CG2-CG1 3.45Å; I70-L85 HydrophobicContact CD1-CB 3.75Å; I70-L85 HydrophobicContact CG1-CB 3.93Å; I70-L85 HydrophobicContact CG1-CD2 4.3Å; I70-L85 HydrophobicContact CG2-CB 3.8Å; I70-L85 HydrophobicContact CG2-CD2 4.16Å; I70-L85 HydrophobicContact CG2-CG 4.48Å
71	F	96.2	Very high	97.6	Very high	112 Å²	112	73.1 Å²	73.1	49%	0.491	41%	0.407	S	S	.	.			trans	-135.6	-12	-178.8	62.5	-91.7	0	0	0	112.8	Y52 K87	Y52-F71 HydrophobicContact CD1-CB 3.55Å; Y52-F71 HydrophobicContact CD1-CG 4.33Å; Y52-F71 HydrophobicContact CE1-CB 3.74Å; Y52-F71 HydrophobicContact CE1-CG 4.16Å; Y52-F71 HydrophobicContact CG-CB 4.32Å; F71-K87 WeakPolarHBondContact O-CE 3.45Å; F71-K87 PolarHBondContact O-NZ 3.28Å
72	S	96	Very high	97.7	Very high	63 Å²	63	69.9 Å²	69.9	44%	0.441	37%	0.371	S	S	.	.	S	Bend	trans	-106	143	176.8	-70.3	0	0	0	0	109.4	I70 G74	I70-S72 WeakPolarHBondContact CG1-O 3.09Å; S72-G74 PolarHBondContact O-N 3.5Å
73	N	97.3	Very high	97.8	Very high	103 Å²	103	63.2 Å²	63.2	55%	0.551	34%	0.342	S	S	*	.	S	Bend	trans	-60.6	135.9	173.8	-168.8	84	0	0	0	109.9	L85 N86 K87	N73-L85 WeakPolarHBondContact CA-O 3.25Å; N73-L85 PolarHBondContact OD1-O 3.25Å; N73-N86 WeakPolarHBondContact OD1-CA 3.19Å; N73-K87 HydrophobicContact CB-CB 4.37Å; N73-K87 HydrophobicContact CB-CD 4.49Å; N73-K87 HydrophobicContact CB-CG 4.08Å; N73-K87 PolarHBondContact OD1-N 3.07Å
74	G	97.9	Very high	97.9	Very high	33 Å²	33	62 Å²	62	34%	0.34	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.6	-142	-175.9	0	0	0	0	0	111.5	S72 H84 L85	S72-G74 PolarHBondContact O-N 3.5Å; G74-H84 CarbonylContact O-C 3.59Å; G74-H84 WeakPolarHBondContact O-CA 3.49Å; G74-L85 PolarHBondContact N-O 2.9Å; G74-L85 PolarHBondContact O-N 2.82Å
75	E	97.7	Very high	97.9	Very high	134 Å²	134	59.4 Å²	59.4	63%	0.626	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.9	-175.6	71.6	-171.9	-155	0	0	112.3	T82 V83 H84	E75-T82 HydrophobicContact CB-CG2 4.46Å; E75-V83 CarbonylContact C-O 3.55Å; E75-V83 VanDerWaalsContact CA-O 3.23Å; E75-V83 WeakPolarHBondContact CA-O 3.36Å; E75-H84 VanDerWaalsContact CB-ND1 3.31Å; E75-H84 WeakPolarHBondContact CB-ND1 3.35Å; E75-H84 IonicContact OE2-CE1 3.78Å; E75-H84 PolarHBondContact OE2-CE1 3.13Å; E75-H84 IonicContact OE2-ND1 3.37Å; E75-H84 PolarHBondContact OE2-ND1 3.27Å
76	K	98.2	Very high	97.9	Very high	78 Å²	78	55.9 Å²	55.9	34%	0.339	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.2	172.7	-173.8	-173	-173.6	-158.5	0	108.3	M68 S69 I70 E78 T82 V83	M68-K76 HydrophobicContact CE-CB 4.28Å; M68-K76 HydrophobicContact CE-CD 4.11Å; M68-K76 HydrophobicContact CE-CG 4Å; M68-K76 VanDerWaalsContact CE-O 3.32Å; M68-K76 WeakPolarHBondContact CE-O 3.31Å; S69-K76 WeakPolarHBondContact O-CD 3.47Å; I70-K76 HydrophobicContact CD1-CB 4.19Å; K76-E78 WeakPolarHBondContact CE-OE1 3.33Å; K76-E78 IonicContact NZ-OE1 2.66Å; K76-E78 PolarHBondContact NZ-OE1 3.12Å; K76-T82 CarbonylContact O-C 3.55Å; K76-T82 WeakPolarHBondContact O-CA 2.96Å; K76-V83 PolarHBondContact N-O 2.9Å; K76-V83 PolarHBondContact O-N 2.99Å
77	E	98.1	Very high	97.7	Very high	105 Å²	105	55.3 Å²	55.3	49%	0.491	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.7	178.1	-176.7	170.3	131.8	0	0	110.7	F81 R97	E77-F81 WeakPolarHBondContact CA-O 3.23Å; E77-R97 IonicContact OE1-CZ 2.74Å; E77-R97 IonicContact OE1-NH2 2.83Å; E77-R97 PolarHBondContact OE1-NH2 2.8Å; E77-R97 IonicContact OE2-CZ 3.25Å; E77-R97 IonicContact OE2-NH1 3Å; E77-R97 IonicContact OE2-NH2 3.98Å; E77-R97 PolarHBondContact OE2-NH2 2.85Å
78	E	97.5	Very high	97.6	Very high	88 Å²	88	58.4 Å²	58.4	41%	0.411	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	93.8	171.2	-72.1	-176.9	-146.5	0	0	109.1	M68 K76 R80 F81	M68-E78 HydrophobicContact CE-CB 3.8Å; M68-E78 HydrophobicContact CE-CG 3.74Å; M68-E78 HydrophobicContact SD-CB 4.15Å; K76-E78 WeakPolarHBondContact CE-OE1 3.33Å; K76-E78 IonicContact NZ-OE1 2.66Å; K76-E78 PolarHBondContact NZ-OE1 3.12Å; E78-R80 PolarHBondContact O-N 2.76Å; E78-F81 PolarHBondContact N-O 3.49Å; E78-F81 PolarHBondContact O-N 3.27Å; E78-F81 VanDerWaalsContact O-N 3.13Å
79	G	97.5	Very high	97.5	Very high	57 Å²	57	61.2 Å²	61.2	59%	0.588	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-119.9	-176.8	0	0	0	0	0	111.9	F81 R97	G79-F81 VanDerWaalsContact C-N 3.28Å; G79-F81 PolarHBondContact O-N 2.89Å; G79-R97 PolarHBondContact O-NH2 2.83Å
80	R	98.1	Very high	97.5	Very high	49 Å²	49	61.3 Å²	61.3	19%	0.185	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.6	179.2	-66.3	-169.7	-58.5	104.3	-2.9	113.6	E78 R97 D98 Q100 D103	E78-R80 PolarHBondContact O-N 2.76Å; R80-R97 WeakPolarHBondContact CB-O 3.41Å; R80-R97 WeakPolarHBondContact CD-O 3.41Å; R80-R97 PolarHBondContact NH1-O 2.84Å; R80-R97 PolarHBondContact O-N 2.9Å; R80-D98 PolarHBondContact NH1-O 3.36Å; R80-Q100 VanDerWaalsContact NE-NE2 3.18Å; R80-D103 IonicContact CZ-OD1 3.27Å; R80-D103 IonicContact CZ-OD2 3.73Å; R80-D103 VanDerWaalsContact CZ-OD2 3.25Å; R80-D103 IonicContact NH1-OD2 3.77Å; R80-D103 PolarHBondContact NH1-OD2 3.14Å; R80-D103 VanDerWaalsContact NH2-CG 3.3Å; R80-D103 IonicContact NH2-OD1 3.95Å; R80-D103 PolarHBondContact NH2-OD1 3.45Å; R80-D103 IonicContact NH2-OD2 2.76Å; R80-D103 PolarHBondContact NH2-OD2 2.97Å
81	F	98.7	Very high	97.5	Very high	30 Å²	30	63.5 Å²	63.5	13%	0.132	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.6	-176.5	-57.5	-87.6	0	0	0	110.6	L67 M68 E77 E78 G79 L94 H95 I96	L67-F81 HydrophobicContact CD1-CD1 4.32Å; L67-F81 HydrophobicContact CD1-CE1 4.24Å; L67-F81 HydrophobicContact CD1-CE2 4.5Å; L67-F81 HydrophobicContact CD1-CZ 4.35Å; L67-F81 HydrophobicContact CD2-CD1 3.9Å; L67-F81 HydrophobicContact CD2-CE1 4.06Å; L67-F81 HydrophobicContact CG-CD1 4.48Å; M68-F81 HydrophobicContact SD-CB 3.44Å; M68-F81 WeakPolarHBondContact SD-CB 2.94Å; E77-F81 WeakPolarHBondContact CA-O 3.23Å; E78-F81 PolarHBondContact N-O 3.49Å; E78-F81 PolarHBondContact O-N 3.27Å; E78-F81 VanDerWaalsContact O-N 3.13Å; G79-F81 VanDerWaalsContact C-N 3.28Å; G79-F81 PolarHBondContact O-N 2.89Å; F81-L94 HydrophobicContact CB-CD1 4.46Å; F81-L94 HydrophobicContact CD1-CD1 4.37Å; F81-H95 WeakPolarHBondContact CA-O 3.44Å; F81-I96 HydrophobicContact CD1-CB 4.4Å; F81-I96 HydrophobicContact CD1-CD1 4.23Å; F81-I96 HydrophobicContact CD1-CG1 3.76Å; F81-I96 HydrophobicContact CD1-CG2 4.1Å; F81-I96 HydrophobicContact CE1-CB 4.38Å; F81-I96 HydrophobicContact CE1-CD1 3.83Å; F81-I96 HydrophobicContact CE1-CG1 3.82Å; F81-I96 HydrophobicContact CE1-CG2 3.76Å; F81-I96 HydrophobicContact CZ-CG2 4.3Å
82	T	98.7	Very high	97.6	Very high	10 Å²	10	58.1 Å²	58.1	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.8	173.5	-51.6	0	0	0	0	108.4	E75 K76 H95	E75-T82 HydrophobicContact CB-CG2 4.46Å; K76-T82 CarbonylContact O-C 3.55Å; K76-T82 WeakPolarHBondContact O-CA 2.96Å; T82-H95 PolarHBondContact N-O 3.38Å; T82-H95 PolarHBondContact O-N 3.02Å
83	V	98.6	Very high	97.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131	172.2	174.7	0	0	0	0	108.8	M68 I70 E75 K76 T92 S93 L94	M68-V83 HydrophobicContact CB-CG2 3.74Å; M68-V83 HydrophobicContact CE-CB 4.43Å; M68-V83 HydrophobicContact CE-CG2 4.14Å; M68-V83 HydrophobicContact CG-CG2 4.38Å; M68-V83 HydrophobicContact SD-CG2 3.79Å; I70-V83 HydrophobicContact CB-CG1 3.93Å; I70-V83 HydrophobicContact CD1-CG1 4.25Å; I70-V83 HydrophobicContact CG2-CG1 3.45Å; I70-V83 VanDerWaalsContact CG2-CG1 3.45Å; E75-V83 CarbonylContact C-O 3.55Å; E75-V83 VanDerWaalsContact CA-O 3.23Å; E75-V83 WeakPolarHBondContact CA-O 3.36Å; K76-V83 PolarHBondContact N-O 2.9Å; K76-V83 PolarHBondContact O-N 2.99Å; V83-T92 WeakPolarHBondContact CG1-OG1 3.4Å; V83-S93 CarbonylContact C-O 3.53Å; V83-S93 VanDerWaalsContact CA-O 3.23Å; V83-S93 WeakPolarHBondContact CA-O 3.28Å; V83-L94 HydrophobicContact CG2-CB 4.44Å; V83-L94 HydrophobicContact CG2-CD1 3.62Å
84	H	98.5	Very high	97.8	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.255	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	149.8	170.1	-58.4	-89	0	0	0	110.4	G74 E75 T92 S93 H95	G74-H84 CarbonylContact O-C 3.59Å; G74-H84 WeakPolarHBondContact O-CA 3.49Å; E75-H84 VanDerWaalsContact CB-ND1 3.31Å; E75-H84 WeakPolarHBondContact CB-ND1 3.35Å; E75-H84 IonicContact OE2-CE1 3.78Å; E75-H84 PolarHBondContact OE2-CE1 3.13Å; E75-H84 IonicContact OE2-ND1 3.37Å; E75-H84 PolarHBondContact OE2-ND1 3.27Å; H84-T92 CarbonylContact O-C 3.53Å; H84-T92 WeakPolarHBondContact O-CA 3.48Å; H84-T92 VanDerWaalsContact O-CB 3.28Å; H84-T92 WeakPolarHBondContact O-CB 3.34Å; H84-T92 PolarHBondContact O-OG1 3.07Å; H84-S93 PolarHBondContact N-O 2.78Å; H84-S93 PolarHBondContact O-N 2.73Å; H84-S93 VanDerWaalsContact O-N 3.07Å; H84-H95 AromaticContact CD2-CE1 3.58Å; H84-H95 AromaticContact CD2-ND1 3.7Å; H84-H95 AromaticContact NE2-CE1 3.7Å; H84-H95 AromaticContact NE2-ND1 3.52Å
85	L	98.5	Very high	97.8	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.4	171.8	175.2	59.4	0	0	0	109.8	F53 I70 N73 G74 K87 H91	F53-L85 HydrophobicContact CD2-CD1 3.53Å; F53-L85 HydrophobicContact CD2-CD2 4.3Å; F53-L85 HydrophobicContact CE2-CD1 3.62Å; F53-L85 HydrophobicContact CG-CD1 4.37Å; I70-L85 HydrophobicContact CD1-CB 3.75Å; I70-L85 HydrophobicContact CG1-CB 3.93Å; I70-L85 HydrophobicContact CG1-CD2 4.3Å; I70-L85 HydrophobicContact CG2-CB 3.8Å; I70-L85 HydrophobicContact CG2-CD2 4.16Å; I70-L85 HydrophobicContact CG2-CG 4.48Å; N73-L85 WeakPolarHBondContact CA-O 3.25Å; N73-L85 PolarHBondContact OD1-O 3.25Å; G74-L85 PolarHBondContact N-O 2.9Å; G74-L85 PolarHBondContact O-N 2.82Å; L85-K87 HydrophobicContact CD2-CG 4.05Å; L85-K87 HydrophobicContact CG-CG 4.18Å; L85-H91 WeakPolarHBondContact CA-O 3.43Å
86	N	97.8	Very high	97.9	Very high	73 Å²	73	45 Å²	45	39%	0.39	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.5	161.6	-176.2	-33.1	0	0	0	108.7	N73 A88 S89 L90 H91	N73-N86 WeakPolarHBondContact OD1-CA 3.19Å; N86-A88 WeakPolarHBondContact OD1-CB 3.33Å; N86-A88 PolarHBondContact OD1-N 2.97Å; N86-S89 WeakPolarHBondContact CB-OG 3.31Å; N86-S89 PolarHBondContact OD1-N 2.9Å; N86-S89 VanDerWaalsContact OD1-N 3.1Å; N86-S89 PolarHBondContact OD1-OG 3.26Å; N86-L90 PolarHBondContact O-N 2.8Å; N86-H91 PolarHBondContact N-O 2.82Å; N86-H91 PolarHBondContact O-N 2.79Å
87	K	95.6	Very high	97.9	Very high	92 Å²	92	46.1 Å²	46.1	40%	0.4	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-37.3	179.7	-79.6	-159.7	171.3	-162	0	112.8	F71 N73 L85 S89 L90	F71-K87 WeakPolarHBondContact O-CE 3.45Å; F71-K87 PolarHBondContact O-NZ 3.28Å; N73-K87 HydrophobicContact CB-CB 4.37Å; N73-K87 HydrophobicContact CB-CD 4.49Å; N73-K87 HydrophobicContact CB-CG 4.08Å; N73-K87 PolarHBondContact OD1-N 3.07Å; L85-K87 HydrophobicContact CD2-CG 4.05Å; L85-K87 HydrophobicContact CG-CG 4.18Å; K87-S89 VanDerWaalsContact C-N 3.28Å; K87-S89 PolarHBondContact O-N 2.02Å; K87-L90 PolarHBondContact O-N 2.79Å
88	A	95.4	Very high	97.9	Very high	100 Å²	100	45.5 Å²	45.5	83%	0.826	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.7	-177.1	0	0	0	0	0	112	N86	N86-A88 WeakPolarHBondContact OD1-CB 3.33Å; N86-A88 PolarHBondContact OD1-N 2.97Å
89	S	96.2	Very high	97.9	Very high	61 Å²	61	41.8 Å²	41.8	43%	0.427	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.1	177.2	65.5	0	0	0	0	114.1	N86 K87 H91	N86-S89 WeakPolarHBondContact CB-OG 3.31Å; N86-S89 PolarHBondContact OD1-N 2.9Å; N86-S89 VanDerWaalsContact OD1-N 3.1Å; N86-S89 PolarHBondContact OD1-OG 3.26Å; K87-S89 VanDerWaalsContact C-N 3.28Å; K87-S89 PolarHBondContact O-N 2.02Å; S89-H91 PolarHBondContact O-N 2.77Å; S89-H91 VanDerWaalsContact O-N 3.15Å; S89-H91 VanDerWaalsContact OG-CB 3.31Å; S89-H91 WeakPolarHBondContact OG-CB 3.38Å
90	L	96.8	Very high	98	Very high	29 Å²	29	43 Å²	43	15%	0.152	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	40.6	-175.4	-58.4	171.3	0	0	0	112.8	T44 S45 D47 R48 F53 N86 K87	T44-L90 CarbonylContact C-O 3.5Å; T44-L90 WeakPolarHBondContact CA-O 3.45Å; S45-L90 PolarHBondContact N-O 2.77Å; S45-L90 WeakPolarHBondContact O-CB 3.36Å; D47-L90 WeakPolarHBondContact O-CD1 3.46Å; R48-L90 HydrophobicContact CG-CD1 4.21Å; F53-L90 HydrophobicContact CZ-CB 4.43Å; F53-L90 WeakPolarHBondContact CZ-O 3.23Å; N86-L90 PolarHBondContact O-N 2.8Å; K87-L90 PolarHBondContact O-N 2.79Å
91	H	98	Very high	97.9	Very high	54 Å²	54	44.4 Å²	44.4	25%	0.25	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.8	-172.4	177.4	80.5	0	0	0	110.1	N42 C43 T44 L85 N86 S89	N42-H91 PolarHBondContact OD1-CE1 3.05Å; C43-H91 CarbonylContact O-C 3.6Å; C43-H91 WeakPolarHBondContact O-CA 3.32Å; T44-H91 PolarHBondContact OG1-ND1 2.85Å; L85-H91 WeakPolarHBondContact CA-O 3.43Å; N86-H91 PolarHBondContact N-O 2.82Å; N86-H91 PolarHBondContact O-N 2.79Å; S89-H91 PolarHBondContact O-N 2.77Å; S89-H91 VanDerWaalsContact O-N 3.15Å; S89-H91 VanDerWaalsContact OG-CB 3.31Å; S89-H91 WeakPolarHBondContact OG-CB 3.38Å
92	T	98.4	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.2	170.4	-176.4	0	0	0	0	110.6	C43 F53 W55 V83 H84	C43-T92 HydrophobicContact CB-CG2 3.68Å; C43-T92 PolarHBondContact N-O 2.81Å; C43-T92 PolarHBondContact O-N 3.25Å; C43-T92 VanDerWaalsContact O-O 3.08Å; F53-T92 HydrophobicContact CB-CG2 3.95Å; F53-T92 HydrophobicContact CD1-CG2 3.35Å; F53-T92 HydrophobicContact CE1-CG2 3.98Å; F53-T92 HydrophobicContact CG-CG2 3.78Å; W55-T92 HydrophobicContact CZ2-CG2 4.03Å; W55-T92 PolarHBondContact NE1-OG1 2.96Å; V83-T92 WeakPolarHBondContact CG1-OG1 3.4Å; H84-T92 CarbonylContact O-C 3.53Å; H84-T92 WeakPolarHBondContact O-CA 3.48Å; H84-T92 VanDerWaalsContact O-CB 3.28Å; H84-T92 WeakPolarHBondContact O-CB 3.34Å; H84-T92 PolarHBondContact O-OG1 3.07Å
93	S	98.7	Very high	97.8	Very high	8 Å²	8	46.4 Å²	46.4	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.7	169.5	69.7	0	0	0	0	110.5	L41 V83 H84 H95	L41-S93 CarbonylContact O-C 3.6Å; L41-S93 WeakPolarHBondContact O-CA 3.36Å; L41-S93 WeakPolarHBondContact O-CB 3.45Å; V83-S93 CarbonylContact C-O 3.53Å; V83-S93 VanDerWaalsContact CA-O 3.23Å; V83-S93 WeakPolarHBondContact CA-O 3.28Å; H84-S93 PolarHBondContact N-O 2.78Å; H84-S93 PolarHBondContact O-N 2.73Å; H84-S93 VanDerWaalsContact O-N 3.07Å; S93-H95 PolarHBondContact OG-NE2 3.03Å
94	L	98.9	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.1	170.7	170.2	68	0	0	0	108.3	L41 W55 L67 F81 V83 Y107	L41-L94 HydrophobicContact CB-CB 4.43Å; L41-L94 HydrophobicContact CD1-CD2 4.2Å; L41-L94 PolarHBondContact N-O 2.98Å; L41-L94 PolarHBondContact O-N 3.32Å; W55-L94 HydrophobicContact CB-CD2 4.19Å; W55-L94 HydrophobicContact CD2-CB 3.61Å; W55-L94 HydrophobicContact CD2-CD2 3.94Å; W55-L94 HydrophobicContact CD2-CG 4.37Å; W55-L94 HydrophobicContact CE3-CB 4.02Å; W55-L94 HydrophobicContact CE3-CD2 3.85Å; W55-L94 HydrophobicContact CG-CB 4.01Å; W55-L94 HydrophobicContact CG-CD2 4.11Å; W55-L94 HydrophobicContact CH2-CB 4.24Å; W55-L94 HydrophobicContact CZ2-CB 3.87Å; W55-L94 HydrophobicContact CZ3-CB 4.31Å; L67-L94 HydrophobicContact CD2-CD1 4.26Å; L67-L94 HydrophobicContact CD2-CD2 3.78Å; F81-L94 HydrophobicContact CB-CD1 4.46Å; F81-L94 HydrophobicContact CD1-CD1 4.37Å; V83-L94 HydrophobicContact CG2-CB 4.44Å; V83-L94 HydrophobicContact CG2-CD1 3.62Å; L94-Y107 HydrophobicContact CD2-CD1 3.62Å; L94-Y107 HydrophobicContact CD2-CE1 3.99Å
95	H	98.7	Very high	97.7	Very high	44 Å²	44	49.9 Å²	49.9	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.5	176.4	-58.2	173.1	0	0	0	109.9	A39 S40 F81 T82 H84 S93	A39-H95 CarbonylContact O-C 3.56Å; A39-H95 VanDerWaalsContact O-CA 3.28Å; A39-H95 WeakPolarHBondContact O-CA 3.38Å; S40-H95 PolarHBondContact OG-CD2 2.91Å; S40-H95 PolarHBondContact OG-NE2 3.27Å; F81-H95 WeakPolarHBondContact CA-O 3.44Å; T82-H95 PolarHBondContact N-O 3.38Å; T82-H95 PolarHBondContact O-N 3.02Å; H84-H95 AromaticContact CD2-CE1 3.58Å; H84-H95 AromaticContact CD2-ND1 3.7Å; H84-H95 AromaticContact NE2-CE1 3.7Å; H84-H95 AromaticContact NE2-ND1 3.52Å; S93-H95 PolarHBondContact OG-NE2 3.03Å
96	I	98.7	Very high	97.7	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.1	176.5	-45.7	175.4	0	0	0	107.2	M38 A39 F81 Y107	M38-I96 CarbonylContact C-O 3.58Å; M38-I96 WeakPolarHBondContact CA-O 3.43Å; A39-I96 HydrophobicContact CB-CB 4.01Å; A39-I96 HydrophobicContact CB-CD1 4.27Å; A39-I96 HydrophobicContact CB-CG1 4.26Å; A39-I96 PolarHBondContact N-O 3.42Å; A39-I96 PolarHBondContact O-N 3.37Å; F81-I96 HydrophobicContact CD1-CB 4.4Å; F81-I96 HydrophobicContact CD1-CD1 4.23Å; F81-I96 HydrophobicContact CD1-CG1 3.76Å; F81-I96 HydrophobicContact CD1-CG2 4.1Å; F81-I96 HydrophobicContact CE1-CB 4.38Å; F81-I96 HydrophobicContact CE1-CD1 3.83Å; F81-I96 HydrophobicContact CE1-CG1 3.82Å; F81-I96 HydrophobicContact CE1-CG2 3.76Å; F81-I96 HydrophobicContact CZ-CG2 4.3Å; I96-Y107 HydrophobicContact CD1-CE1 3.77Å; I96-Y107 HydrophobicContact CD1-CE2 4.38Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.48Å
97	R	98.5	Very high	97.8	Very high	103 Å²	103	51.5 Å²	51.5	39%	0.389	30%	0.297	S	S	.	.	S	Bend	trans	-84.3	155.3	175.9	-62.8	178.5	-65.7	168.4	-0.5	110.1	E77 G79 R80 S99	E77-R97 IonicContact OE1-CZ 2.74Å; E77-R97 IonicContact OE1-NH2 2.83Å; E77-R97 PolarHBondContact OE1-NH2 2.8Å; E77-R97 IonicContact OE2-CZ 3.25Å; E77-R97 IonicContact OE2-NH1 3Å; E77-R97 IonicContact OE2-NH2 3.98Å; E77-R97 PolarHBondContact OE2-NH2 2.85Å; G79-R97 PolarHBondContact O-NH2 2.83Å; R80-R97 WeakPolarHBondContact CB-O 3.41Å; R80-R97 WeakPolarHBondContact CD-O 3.41Å; R80-R97 PolarHBondContact NH1-O 2.84Å; R80-R97 PolarHBondContact O-N 2.9Å; R97-S99 VanDerWaalsContact C-N 3.35Å; R97-S99 PolarHBondContact O-N 2.98Å
98	D	98.4	Very high	97.9	Very high	91 Å²	91	50 Å²	50	49%	0.487	29%	0.293	S	S	.	.	S	Bend	trans	49.3	56.4	175	177.7	47.1	0	0	0	111.3	G37 R80 Q100	G37-D98 PolarHBondContact O-N 3.19Å; R80-D98 PolarHBondContact NH1-O 3.36Å; D98-Q100 WeakPolarHBondContact O-CG 3.44Å; D98-Q100 PolarHBondContact O-N 3.1Å
99	S	98.5	Very high	98	Very high	11 Å²	11	45.7 Å²	45.7	8%	0.077	26%	0.257	C	S	.	.			trans	-59	134.7	-171.9	-62	0	0	0	0	111.5	E35 G36 G37 R97	E35-S99 CarbonylContact C-O 3.59Å; E35-S99 WeakPolarHBondContact CA-O 3.45Å; G36-S99 PolarHBondContact N-O 3.04Å; G37-S99 VanDerWaalsContact O-CB 3.28Å; G37-S99 WeakPolarHBondContact O-CB 3.2Å; G37-S99 PolarHBondContact O-N 3.37Å; G37-S99 PolarHBondContact O-OG 2.61Å; R97-S99 VanDerWaalsContact C-N 3.35Å; R97-S99 PolarHBondContact O-N 2.98Å
100	Q	98.2	Very high	98	Very high	82 Å²	82	44.4 Å²	44.4	38%	0.383	25%	0.25	S	C	.	.			trans	-114	156.7	-177.9	-60.1	178.7	10.2	0	0	110.3	R80 D98 S102 D103	R80-Q100 VanDerWaalsContact NE-NE2 3.18Å; D98-Q100 WeakPolarHBondContact O-CG 3.44Å; D98-Q100 PolarHBondContact O-N 3.1Å; Q100-S102 PolarHBondContact O-N 2.82Å; Q100-S102 VanDerWaalsContact O-N 3.09Å; Q100-D103 PolarHBondContact N-OD2 3.04Å; Q100-D103 WeakPolarHBondContact O-CA 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.44Å; Q100-D103 PolarHBondContact O-N 2.7Å
101	P	97.3	Very high	97.9	Very high	78 Å²	78	44.3 Å²	44.3	51%	0.506	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-53.9	-34.5	174.7	-29.2	37	0	0	0	113	E35 D103 S104	E35-P101 VanDerWaalsContact CD-CG 3.46Å; E35-P101 HydrophobicContact CG-CG 4.01Å; E35-P101 WeakPolarHBondContact OE1-CG 3.35Å; P101-D103 PolarHBondContact O-N 2.86Å; P101-S104 WeakPolarHBondContact O-CB 3.48Å; P101-S104 PolarHBondContact O-N 2.72Å; P101-S104 PolarHBondContact O-OG 2.93Å
102	S	96.6	Very high	97.6	Very high	70 Å²	70	45.8 Å²	45.8	49%	0.49	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-64.5	-14.8	176.2	68.8	0	0	0	0	113.6	R57 H59 Q100	R57-S102 PolarHBondContact NH2-O 3.23Å; H59-S102 PolarHBondContact NE2-O 3.15Å; Q100-S102 PolarHBondContact O-N 2.82Å; Q100-S102 VanDerWaalsContact O-N 3.09Å
103	D	97.8	Very high	97.6	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.064	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-76.3	-18.6	176.2	-66.2	-34.1	0	0	0	113.2	R57 R80 Q100 P101 A105 Y107	R57-D103 IonicContact NH1-OD1 3.03Å; R57-D103 PolarHBondContact NH2-O 2.94Å; R80-D103 IonicContact CZ-OD1 3.27Å; R80-D103 IonicContact CZ-OD2 3.73Å; R80-D103 VanDerWaalsContact CZ-OD2 3.25Å; R80-D103 IonicContact NH1-OD2 3.77Å; R80-D103 PolarHBondContact NH1-OD2 3.14Å; R80-D103 VanDerWaalsContact NH2-CG 3.3Å; R80-D103 IonicContact NH2-OD1 3.95Å; R80-D103 PolarHBondContact NH2-OD1 3.45Å; R80-D103 IonicContact NH2-OD2 2.76Å; R80-D103 PolarHBondContact NH2-OD2 2.97Å; Q100-D103 PolarHBondContact N-OD2 3.04Å; Q100-D103 WeakPolarHBondContact O-CA 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.44Å; Q100-D103 PolarHBondContact O-N 2.7Å; P101-D103 PolarHBondContact O-N 2.86Å; D103-A105 PolarHBondContact O-N 2.99Å; D103-Y107 WeakPolarHBondContact O-CE2 3.34Å; D103-Y107 PolarHBondContact O-OH 3.33Å
104	S	97.9	Very high	97.5	Very high	94 Å²	94	50.2 Å²	50.2	66%	0.657	30%	0.295	S	S	*	.			trans	-58.1	109.9	177.7	-53.5	0	0	0	0	112.3	P101	P101-S104 WeakPolarHBondContact O-CB 3.48Å; P101-S104 PolarHBondContact O-N 2.72Å; P101-S104 PolarHBondContact O-OG 2.93Å
105	A	98.2	Very high	97.4	Very high	34 Å²	34	53 Å²	53	28%	0.281	31%	0.312	S	S	.	.	S	Bend	trans	-164.6	168.4	-176.6	0	0	0	0	0	110.6	R57 Q58 D103 Y107	R57-A105 HydrophobicContact CG-CB 3.8Å; Q58-A105 WeakPolarHBondContact O-CB 3.35Å; D103-A105 PolarHBondContact O-N 2.99Å; A105-Y107 HydrophobicContact CB-CD2 4.37Å; A105-Y107 HydrophobicContact CB-CE2 3.88Å; A105-Y107 WeakPolarHBondContact O-CD2 3.39Å
106	L	98.3	Very high	97.3	Very high	90 Å²	90	53.5 Å²	53.5	47%	0.471	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.3	162.7	177.4	64.3	0	0	0	109.1	Q58 L108	Q58-L106 HydrophobicContact CB-CB 4.29Å; Q58-L106 PolarHBondContact N-O 2.86Å; Q58-L106 PolarHBondContact O-N 3.47Å; L106-L108 HydrophobicContact CD1-CD2 4.33Å; L106-L108 HydrophobicContact CD2-CD1 4.3Å; L106-L108 HydrophobicContact CD2-CD2 4.02Å; L106-L108 HydrophobicContact CD2-CG 4.22Å; L106-L108 HydrophobicContact CG-CD2 4.07Å; L106-L108 HydrophobicContact CG-CG 4.1Å
107	Y	98.5	Very high	97.3	Very high	25 Å²	25	56.6 Å²	56.6	10%	0.098	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.5	177.3	-71.5	-101.1	0	0	0	110	Q26 L41 Y56 R57 L67 L94 I96 D103 A105	Q26-Y107 PolarHBondContact NE2-O 2.85Å; Q26-Y107 VanDerWaalsContact NE2-O 3.09Å; L41-Y107 VanDerWaalsContact CD1-CB 3.43Å; L41-Y107 HydrophobicContact CD1-CD1 4.06Å; L41-Y107 HydrophobicContact CD1-CD2 4.12Å; L41-Y107 HydrophobicContact CD1-CG 3.62Å; Y56-Y107 WeakPolarHBondContact O-CA 3.47Å; R57-Y107 HydrophobicContact CB-CD1 4.48Å; R57-Y107 HydrophobicContact CB-CE1 4.34Å; R57-Y107 HydrophobicContact CG-CD1 4.42Å; R57-Y107 HydrophobicContact CG-CE1 3.99Å; R57-Y107 PolarHBondContact NE-OH 3.24Å; L67-Y107 HydrophobicContact CD2-CD1 4.12Å; L67-Y107 HydrophobicContact CD2-CE1 3.72Å; L94-Y107 HydrophobicContact CD2-CD1 3.62Å; L94-Y107 HydrophobicContact CD2-CE1 3.99Å; I96-Y107 HydrophobicContact CD1-CE1 3.77Å; I96-Y107 HydrophobicContact CD1-CE2 4.38Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.48Å; D103-Y107 WeakPolarHBondContact O-CE2 3.34Å; D103-Y107 PolarHBondContact O-OH 3.33Å; A105-Y107 HydrophobicContact CB-CD2 4.37Å; A105-Y107 HydrophobicContact CB-CE2 3.88Å; A105-Y107 WeakPolarHBondContact O-CD2 3.39Å
108	L	97.7	Very high	97.2	Very high	60 Å²	60	53.5 Å²	53.5	31%	0.314	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.5	-174.8	-61.7	168.1	0	0	0	109.6	W55 Y56 P64 L106	W55-L108 CarbonylContact C-O 3.47Å; Y56-L108 PolarHBondContact N-O 2.97Å; Y56-L108 PolarHBondContact O-N 2.66Å; P64-L108 HydrophobicContact CB-CD1 4.45Å; P64-L108 HydrophobicContact CG-CD1 4.16Å; L106-L108 HydrophobicContact CD1-CD2 4.33Å; L106-L108 HydrophobicContact CD2-CD1 4.3Å; L106-L108 HydrophobicContact CD2-CD2 4.02Å; L106-L108 HydrophobicContact CD2-CG 4.22Å; L106-L108 HydrophobicContact CG-CD2 4.07Å; L106-L108 HydrophobicContact CG-CG 4.1Å
109	C	97.7	Very high	97.1	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140	173.2	177.5	0	0	0	0	109.8	Q26 C43 W54 W55	Q26-C109 VanDerWaalsContact CD-N 3.26Å; Q26-C109 HydrophobicContact CG-CB 3.71Å; C43-C109 HydrophobicContact CB-CB 3.46Å; C43-C109 VanDerWaalsContact CB-CB 3.46Å; C43-C109 WeakPolarHBondContact CB-SG 3Å; C43-C109 WeakPolarHBondContact SG-CB 3.35Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 2.97Å; W54-C109 CarbonylContact O-C 3.56Å; W54-C109 WeakPolarHBondContact O-CA 3.34Å; W55-C109 HydrophobicContact CD2-CB 4.45Å; W55-C109 HydrophobicContact CE3-CB 4.16Å; W55-C109 HydrophobicContact CH2-CB 4.12Å; W55-C109 HydrophobicContact CZ2-CB 4.39Å; W55-C109 HydrophobicContact CZ3-CB 4Å
110	A	96.3	Very high	97	Very high	34 Å²	34	53.9 Å²	53.9	28%	0.281	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.2	169.3	0	0	0	0	0	110.7	F53 W54 Y56	F53-A110 WeakPolarHBondContact CA-O 3.36Å; W54-A110 HydrophobicContact CB-CB 4.33Å; W54-A110 PolarHBondContact N-O 3Å; W54-A110 PolarHBondContact O-N 3.48Å; Y56-A110 HydrophobicContact CE2-CB 4.01Å
111	A	94.8	Very high	96.9	Very high	27 Å²	27	51.6 Å²	51.6	22%	0.223	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.8	179.5	0	0	0	0	0	109.2	V24 V50 Y52 F53	V24-A111 HydrophobicContact CG1-CB 3.45Å; V24-A111 VanDerWaalsContact CG1-CB 3.45Å; V50-A111 HydrophobicContact CB-CB 4.35Å; V50-A111 HydrophobicContact CG1-CB 3.68Å; V50-A111 HydrophobicContact CG2-CB 3.7Å; Y52-A111 WeakPolarHBondContact O-CA 2.77Å; F53-A111 HydrophobicContact CD1-CB 4.13Å; F53-A111 HydrophobicContact CE1-CB 3.94Å; F53-A111 HydrophobicContact CZ-CB 4.45Å
112	S	91.6	Very high	96.9	Very high	86 Å²	86	49.2 Å²	49.2	60%	0.601	32%	0.322	S	S	*	.			trans	-144.4	0	-178.9	62.1	0	0	0	0	112.8	D51 Y52 W54	D51-S112 PolarHBondContact N-O 2.94Å; Y52-S112 PolarHBondContact N-O 2.87Å; Y52-S112 PolarHBondContact O-N 3.05Å; W54-S112 PolarHBondContact NE1-OG 2.82Å

Retrieved 112 of 112 residues in 103.3 ms (Link to these results)

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