A0A075B5W6_MOUSE Loading...

Immunoglobulin heavy variable 1-55

AlphaFold DB , UniProt , Accession A0A075B5W6, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-55, Length 117 aa.

						>A0A075B5W6_MOUSE|A0A075B5W6|Ighv1-55
MGWSCIILILVAAATGVHSQVQLQQPGAELVKPGASVKMSCKASGYTFTSYWITWVKQRPGQGLEWIGDIYPGSGSTNYNEKFKSKATLTVDTSSSTAYMQLSSLTSEDSAVYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.1	Very low	61.4	Low	250 Å²	250	155.4 Å²	155.4	100%	1.232	85%	0.847	S	S	*	*				0	91.5	0	-69.6	156.3	66.1	0	0	106.4
2	G	52	Low	61.8	Low	76 Å²	76	150.6 Å²	150.6	78%	0.784	84%	0.844	S	S	*	*			trans	-95.8	131.2	-166.1	0	0	0	0	0	111.6
3	W	52.6	Low	62.2	Low	261 Å²	261	144.9 Å²	144.9	99%	0.989	83%	0.828	S	S	*	*			trans	-104.1	96.3	164.8	-114.7	-22.4	0	0	0	108	C5	W3-C5 PolarHBondContact O-N 3.07Å
4	S	61.5	Low	62.5	Low	108 Å²	108	141.9 Å²	141.9	76%	0.755	83%	0.829	S	S	*	*			trans	-73.7	117.3	169.6	-73.2	0	0	0	0	109.4	I6	S4-I6 PolarHBondContact O-N 3.38Å
5	C	64.1	Low	62.5	Low	126 Å²	126	140.6 Å²	140.6	85%	0.851	82%	0.824	S	S	*	*			trans	-69.2	109.2	166	-68.2	0	0	0	0	109.4	W3	W3-C5 PolarHBondContact O-N 3.07Å
6	I	67.3	Low	62.4	Low	149 Å²	149	135.1 Å²	135.1	76%	0.764	81%	0.807	S	S	*	*			trans	-84.2	113.6	170.5	-63.2	176	0	0	0	107.9	S4	S4-I6 PolarHBondContact O-N 3.38Å
7	I	65.5	Low	62.6	Low	146 Å²	146	135.4 Å²	135.4	75%	0.749	81%	0.809	S	S	*	*			trans	-83.6	114.5	168.3	-62.9	-178.1	0	0	0	107.7	I9	I7-I9 HydrophobicContact CG2-CG1 4.24Å
8	L	61	Low	62.6	Low	156 Å²	156	137.5 Å²	137.5	82%	0.817	81%	0.809	S	S	*	*			trans	-89.2	114.5	167.6	-82.4	159.1	0	0	0	108.9
9	I	69.8	Low	63.4	Low	144 Å²	144	134.9 Å²	134.9	74%	0.738	80%	0.798	S	S	*	*			trans	-87	107.5	169.3	-60.3	175.3	0	0	0	107.6	I7 V11	I7-I9 HydrophobicContact CG2-CG1 4.24Å; I9-V11 HydrophobicContact CG2-CG2 4.01Å; I9-V11 PolarHBondContact O-N 2.77Å
10	L	60.1	Low	64.8	Low	170 Å²	170	135 Å²	135	89%	0.89	79%	0.79	S	S	*	*			trans	-80.3	103	167.4	-87	159	0	0	0	108.8	A12	L10-A12 PolarHBondContact O-N 3.48Å
11	V	72.2	Confident	66.2	Low	123 Å²	123	132.1 Å²	132.1	75%	0.745	77%	0.774	S	S	*	*			trans	-81.8	100.6	167	-178.6	0	0	0	0	107.8	I9 A13	I9-V11 HydrophobicContact CG2-CG2 4.01Å; I9-V11 PolarHBondContact O-N 2.77Å; V11-A13 PolarHBondContact O-N 3.28Å
12	A	66.9	Low	68.4	Low	98 Å²	98	124.7 Å²	124.7	81%	0.81	74%	0.737	S	S	*	*			trans	-75.9	98.9	167.7	0	0	0	0	0	108.8	L10 A14	L10-A12 PolarHBondContact O-N 3.48Å; A12-A14 PolarHBondContact O-N 3.03Å
13	A	66.7	Low	70.6	Confident	77 Å²	77	123.6 Å²	123.6	64%	0.636	71%	0.713	S	S	*	*			trans	-73.8	103	169.8	0	0	0	0	0	108.8	V11 T15	V11-A13 PolarHBondContact O-N 3.28Å; A13-T15 PolarHBondContact O-N 3.27Å
14	A	66.9	Low	72.8	Confident	102 Å²	102	117.5 Å²	117.5	84%	0.843	70%	0.695	S	S	*	*			trans	-68.8	95.2	166.4	0	0	0	0	0	108.2	A12 G16	A12-A14 PolarHBondContact O-N 3.03Å; A14-G16 PolarHBondContact O-N 3.43Å
15	T	62	Low	74.5	Confident	123 Å²	123	114.4 Å²	114.4	76%	0.755	67%	0.669	S	S	*	*			trans	-76.5	75.8	175.4	57.6	0	0	0	0	109.6	A13 V17	A13-T15 PolarHBondContact O-N 3.27Å; T15-V17 PolarHBondContact O-N 3.02Å
16	G	61.2	Low	75.9	Confident	53 Å²	53	112 Å²	112	55%	0.546	65%	0.651	S	S	.	*			trans	-69.4	111.4	157.6	0	0	0	0	0	108	A14 H18	A14-G16 PolarHBondContact O-N 3.43Å; G16-H18 PolarHBondContact O-N 3.18Å
17	V	65.6	Low	77.2	Confident	140 Å²	140	108.2 Å²	108.2	85%	0.848	65%	0.649	S	S	*	*			trans	-75.2	83.8	174.6	-175.7	0	0	0	0	108	T15 S19	T15-V17 PolarHBondContact O-N 3.02Å; V17-S19 PolarHBondContact O-N 2.81Å
18	H	61.8	Low	78.6	Confident	173 Å²	173	106.8 Å²	106.8	80%	0.801	66%	0.659	S	S	*	*			trans	-77.1	117.4	165.1	-68.9	-69.3	0	0	0	108.1	G16 Q20	G16-H18 PolarHBondContact O-N 3.18Å; H18-Q20 PolarHBondContact O-N 3.37Å; H18-Q20 VanDerWaalsContact O-N 3.16Å
19	S	77.6	Confident	80.1	Confident	88 Å²	88	105.2 Å²	105.2	62%	0.615	65%	0.647	S	S	*	*			trans	-74.3	105.4	172.5	-150	0	0	0	0	108.6	V17 G45	V17-S19 PolarHBondContact O-N 2.81Å; S19-G45 WeakPolarHBondContact OG-CA 3.2Å; S19-G45 PolarHBondContact OG-O 3Å
20	Q	91.7	Very high	81.3	Confident	137 Å²	137	107 Å²	107	64%	0.64	66%	0.657	S	S	*	*			trans	-75.6	124.4	174.9	-173.5	-176.5	33.5	0	0	109.1	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 3.37Å; H18-Q20 VanDerWaalsContact O-N 3.16Å; Q20-Q22 HydrophobicContact CG-CG 4.2Å; Q20-Q22 PolarHBondContact O-N 3.45Å; Q20-G45 WeakPolarHBondContact O-CA 3.49Å
21	V	94.3	Very high	82.9	Confident	75 Å²	75	101.7 Å²	101.7	46%	0.455	63%	0.632	S	S	.	*			trans	-66.6	125.1	171.1	176	0	0	0	0	109	Y46 R117	V21-Y46 HydrophobicContact CG1-CD1 3.87Å; V21-Y46 HydrophobicContact CG1-CE1 4.04Å; V21-Y46 HydrophobicContact CG2-CD1 4.38Å; V21-R117 VanDerWaalsContact CG1-NH1 3.28Å; V21-R117 VanDerWaalsContact CG2-NH1 3.26Å
22	Q	96.8	Very high	84	Confident	94 Å²	94	103.9 Å²	103.9	44%	0.439	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.8	143.4	175.9	-60.6	-178.7	-16.2	0	0	110.9	Q20 A43 S44	Q20-Q22 HydrophobicContact CG-CG 4.2Å; Q20-Q22 PolarHBondContact O-N 3.45Å; Q22-A43 WeakPolarHBondContact O-CA 3.16Å; Q22-S44 PolarHBondContact N-O 2.8Å; Q22-S44 PolarHBondContact O-N 3.01Å
23	L	97.7	Very high	85.4	Confident	53 Å²	53	104.6 Å²	104.6	28%	0.277	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	116.8	170.6	-63.1	179.4	0	0	0	107.7	K42 A43 Y46 R117	L23-K42 WeakPolarHBondContact CA-O 3.07Å; L23-A43 HydrophobicContact CD2-CB 3.86Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.49Å; L23-R117 HydrophobicContact CD1-CB 4.33Å
24	Q	97.8	Very high	86.8	Confident	133 Å²	133	103.5 Å²	103.5	62%	0.621	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.9	122.3	-177.4	-175.3	64.4	64.3	0	0	110.6	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.36Å; Q24-K42 PolarHBondContact N-O 3.19Å; Q24-K42 PolarHBondContact O-N 3.28Å
25	Q	98.1	Very high	88.3	Confident	43 Å²	43	100.4 Å²	100.4	20%	0.201	60%	0.598	C	S	.	*			trans	-108.2	154.3	171.4	-68.4	-179.2	-101.3	0	0	110.6	S40 C41 Y113 C115	Q25-S40 WeakPolarHBondContact CA-O 3.47Å; Q25-C41 HydrophobicContact CG-CB 4.38Å; Q25-Y113 PolarHBondContact NE2-O 3.1Å; Q25-Y113 PolarHBondContact OE1-O 2.99Å; Q25-C115 VanDerWaalsContact CG-SG 3.56Å
26	P	93.7	Very high	89.9	Confident	75 Å²	75	97.6 Å²	97.6	49%	0.487	58%	0.584	S	S	.	*			trans	-66.5	169.3	171.2	30.1	-34.7	0	0	0	111	S40	P26-S40 WeakPolarHBondContact CD-O 3.14Å
27	G	93.6	Very high	91.6	Very high	70 Å²	70	95.9 Å²	95.9	72%	0.722	56%	0.563	S	S	*	*			trans	-67.8	-175.2	174.3	0	0	0	0	0	113.3
28	A	94.3	Very high	93.1	Very high	115 Å²	115	94.5 Å²	94.5	95%	0.95	55%	0.546	S	S	*	.			trans	-63.4	143.6	179.1	0	0	0	0	0	112.1
29	E	93.3	Very high	94.8	Very high	123 Å²	123	87.9 Å²	87.9	58%	0.575	52%	0.515	S	S	*	.			trans	-123.3	135	175.9	-166.8	176.4	153.6	0	0	109.9	V31 V37	E29-V31 HydrophobicContact CG-CG1 3.93Å; E29-V37 HydrophobicContact CG-CG2 4.48Å; E29-V37 VanDerWaalsContact OE2-CG2 3.24Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.4Å
30	L	94.9	Very high	95.8	Very high	181 Å²	181	85.4 Å²	85.4	95%	0.948	50%	0.498	S	S	*	.			trans	-101.8	122.4	173.1	-67.6	175.7	0	0	0	109
31	V	94.6	Very high	96.1	Very high	60 Å²	60	78.9 Å²	78.9	36%	0.364	47%	0.468	S	S	.	.			trans	-126.7	148	-175.6	-63.1	0	0	0	0	110.7	E29 V37 L105	E29-V31 HydrophobicContact CG-CG1 3.93Å; V31-V37 HydrophobicContact CG1-CB 4.25Å; V31-V37 HydrophobicContact CG1-CG2 4.24Å; V31-L105 HydrophobicContact CB-CD1 4.37Å; V31-L105 HydrophobicContact CG2-CD1 3.5Å
32	K	95.4	Very high	96.3	Very high	169 Å²	169	81.1 Å²	81.1	74%	0.735	47%	0.471	S	S	*	.			trans	-76.4	148.7	176.3	-64	-177.4	-177.5	178.7	0	110.2	G34 A35	K32-G34 PolarHBondContact O-N 2.9Å; K32-A35 WeakPolarHBondContact O-CB 3.4Å; K32-A35 PolarHBondContact O-N 2.86Å; K32-A35 VanDerWaalsContact O-N 3.07Å
33	P	95.4	Very high	96.4	Very high	113 Å²	113	76.9 Å²	76.9	73%	0.734	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	140.1	168.7	-25	34.5	0	0	0	111.6	A35 L105	P33-A35 PolarHBondContact O-N 2.96Å; P33-L105 CarbonylContact C-O 3.57Å; P33-L105 WeakPolarHBondContact CA-O 3.4Å
34	G	96.8	Very high	96.3	Very high	54 Å²	54	76.9 Å²	76.9	56%	0.557	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-13.9	-174.9	0	0	0	0	0	114.9	K32 L105	K32-G34 PolarHBondContact O-N 2.9Å; G34-L105 PolarHBondContact N-O 2.84Å
35	A	97.4	Very high	96.2	Very high	36 Å²	36	71.8 Å²	71.8	30%	0.298	44%	0.439	S	S	.	.			trans	-72.1	169.8	175.9	0	0	0	0	0	112	K32 P33 S104 L105	K32-A35 WeakPolarHBondContact O-CB 3.4Å; K32-A35 PolarHBondContact O-N 2.86Å; K32-A35 VanDerWaalsContact O-N 3.07Å; P33-A35 PolarHBondContact O-N 2.96Å; A35-S104 PolarHBondContact O-N 2.81Å; A35-L105 WeakPolarHBondContact O-CG 3.32Å; A35-L105 PolarHBondContact O-N 2.9Å
36	S	96.9	Very high	96.1	Very high	64 Å²	64	71.5 Å²	71.5	45%	0.448	44%	0.437	S	S	.	.			trans	-112.6	149.4	170.1	-56.5	0	0	0	0	109.9	L102 S103	S36-L102 CarbonylContact C-O 3.53Å; S36-L102 WeakPolarHBondContact CA-O 3.13Å; S36-L102 WeakPolarHBondContact CB-O 3.46Å; S36-S103 WeakPolarHBondContact OG-CA 3.41Å
37	V	96.8	Very high	96.2	Very high	17 Å²	17	72.1 Å²	72.1	10%	0.103	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.4	174.7	72	0	0	0	0	109.7	E29 V31 M39 Q101 L102 L105	E29-V37 HydrophobicContact CG-CG2 4.48Å; E29-V37 VanDerWaalsContact OE2-CG2 3.24Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.4Å; V31-V37 HydrophobicContact CG1-CB 4.25Å; V31-V37 HydrophobicContact CG1-CG2 4.24Å; V37-M39 HydrophobicContact CG1-CG 4.38Å; V37-Q101 CarbonylContact O-C 3.55Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.25Å; V37-L102 HydrophobicContact CG1-CB 4.11Å; V37-L102 PolarHBondContact N-O 2.85Å; V37-L102 PolarHBondContact O-N 3.12Å; V37-L105 HydrophobicContact CB-CD1 4Å; V37-L105 HydrophobicContact CG1-CD1 3.75Å
38	K	97.1	Very high	96.3	Very high	112 Å²	112	69 Å²	69	49%	0.487	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	111.4	174.9	-173.6	176.4	-178.3	177.5	0	110	Y99 Q101	K38-Y99 HydrophobicContact CD-CD1 4.41Å; K38-Y99 HydrophobicContact CG-CD1 4.31Å; K38-Q101 HydrophobicContact CG-CB 4.45Å
39	M	97	Very high	96.5	Very high	34 Å²	34	66.3 Å²	66.3	17%	0.167	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140	-178.6	-39.9	-171.5	73.8	0	0	109.4	V37 W55 Y99 M100 Y113	V37-M39 HydrophobicContact CG1-CG 4.38Å; M39-W55 HydrophobicContact CB-CH2 3.98Å; M39-W55 HydrophobicContact CB-CZ3 3.95Å; M39-Y99 CarbonylContact O-C 3.49Å; M39-Y99 WeakPolarHBondContact O-CA 3.4Å; M39-Y99 WeakPolarHBondContact O-CB 3.24Å; M39-M100 HydrophobicContact CG-CE 4.24Å; M39-M100 PolarHBondContact N-O 3.48Å; M39-M100 PolarHBondContact O-N 2.53Å; M39-M100 HydrophobicContact SD-CE 3.29Å; M39-M100 WeakPolarHBondContact SD-CE 3.37Å; M39-Y113 VanDerWaalsContact CE-CB 3.48Å; M39-Y113 HydrophobicContact CE-CD2 4.13Å; M39-Y113 HydrophobicContact CE-CG 4.02Å; M39-Y113 HydrophobicContact SD-CD1 4.35Å; M39-Y113 HydrophobicContact SD-CD2 4.2Å; M39-Y113 HydrophobicContact SD-CG 3.84Å
40	S	98.2	Very high	96.7	Very high	35 Å²	35	63.2 Å²	63.2	25%	0.245	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	143.8	174.6	62.8	0	0	0	0	111.4	Q25 P26 A98 Y99	Q25-S40 WeakPolarHBondContact CA-O 3.47Å; P26-S40 WeakPolarHBondContact CD-O 3.14Å; S40-A98 CarbonylContact C-O 3.51Å; S40-Y99 VanDerWaalsContact CB-CE1 3.49Å
41	C	98.5	Very high	96.8	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	101.8	172.3	179.4	0	0	0	0	108.8	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.36Å; Q25-C41 HydrophobicContact CG-CB 4.38Å; C41-W55 HydrophobicContact CB-CH2 3.8Å; C41-W55 HydrophobicContact CB-CZ2 3.88Å; C41-T97 WeakPolarHBondContact O-CA 3.34Å; C41-A98 PolarHBondContact N-O 2.79Å; C41-A98 PolarHBondContact O-N 3.15Å; C41-C115 HydrophobicContact CB-CB 3.45Å; C41-C115 VanDerWaalsContact CB-CB 3.45Å; C41-C115 WeakPolarHBondContact CB-SG 3.3Å; C41-C115 WeakPolarHBondContact SG-CB 3.28Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.9Å
42	K	98.3	Very high	97	Very high	121 Å²	121	61.2 Å²	61.2	53%	0.526	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	-179.9	-175	173.4	-176.9	176.3	0	110	L23 Q24	L23-K42 WeakPolarHBondContact CA-O 3.07Å; Q24-K42 PolarHBondContact N-O 3.19Å; Q24-K42 PolarHBondContact O-N 3.28Å
43	A	98.1	Very high	97.2	Very high	6 Å²	6	53.1 Å²	53.1	5%	0.05	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142	-178.7	0	0	0	0	0	112.2	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.16Å; L23-A43 HydrophobicContact CD2-CB 3.86Å; A43-Y46 HydrophobicContact CB-CE1 3.66Å; A43-Y46 WeakPolarHBondContact CB-OH 3.45Å; A43-F48 HydrophobicContact CB-CB 4.49Å; A43-F48 HydrophobicContact CB-CD2 3.37Å; A43-F48 HydrophobicContact CB-CE2 3.82Å; A43-F48 HydrophobicContact CB-CG 4.18Å; A43-S96 PolarHBondContact N-O 3.28Å; A43-S96 WeakPolarHBondContact O-CB 3.34Å
44	S	96.8	Very high	97.3	Very high	53 Å²	53	49.2 Å²	49.2	37%	0.371	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161	169.5	64	0	0	0	0	111.2	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.8Å; Q22-S44 PolarHBondContact O-N 3.01Å; S44-Y46 WeakPolarHBondContact O-CD1 3.17Å
45	G	95.6	Very high	97.4	Very high	25 Å²	25	46.7 Å²	46.7	26%	0.258	26%	0.256	S	S	.	.	S	Bend	trans	83.4	12.8	176.7	0	0	0	0	0	116.1	S19 Q20	S19-G45 WeakPolarHBondContact OG-CA 3.2Å; S19-G45 PolarHBondContact OG-O 3Å; Q20-G45 WeakPolarHBondContact O-CA 3.49Å
46	Y	94.5	Very high	97.4	Very high	38 Å²	38	46.1 Å²	46.1	15%	0.149	25%	0.249	C	C	.	.	S	Bend	trans	-160.9	168.5	174.3	67.6	-80	0	0	0	111.7	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.87Å; V21-Y46 HydrophobicContact CG1-CE1 4.04Å; V21-Y46 HydrophobicContact CG2-CD1 4.38Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.49Å; A43-Y46 HydrophobicContact CB-CE1 3.66Å; A43-Y46 WeakPolarHBondContact CB-OH 3.45Å; S44-Y46 WeakPolarHBondContact O-CD1 3.17Å; Y46-F48 HydrophobicContact CE2-CB 4.44Å; Y46-F48 HydrophobicContact CE2-CD2 4.35Å; Y46-F48 PolarHBondContact O-N 3.24Å; Y46-Y51 AromaticContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CE2 4.13Å; Y46-Y51 HydrophobicContact CD2-CG 4.37Å; Y46-Y51 HydrophobicContact CE2-CD2 4.02Å; Y46-Y51 HydrophobicContact CE2-CG 4.41Å; Y46-I53 VanDerWaalsContact OH-CD1 3.29Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.46Å; Y46-R117 VanDerWaalsContact CB-NH1 3.33Å
47	T	96.2	Very high	97.5	Very high	87 Å²	87	43.1 Å²	43.1	53%	0.534	23%	0.228	S	C	.	.			trans	-70.8	93.3	172.3	-49.7	0	0	0	0	110.2	T49 S50	T47-T49 PolarHBondContact O-N 2.81Å; T47-T49 VanDerWaalsContact O-N 3.16Å; T47-S50 WeakPolarHBondContact CG2-OG 3.37Å; T47-S50 WeakPolarHBondContact O-CB 3.17Å; T47-S50 PolarHBondContact O-N 2.86Å
48	F	97.2	Very high	97.5	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.026	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-52.2	-38.3	-176.1	177	-117.6	0	0	0	113.7	A43 Y46 S50 I53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.49Å; A43-F48 HydrophobicContact CB-CD2 3.37Å; A43-F48 HydrophobicContact CB-CE2 3.82Å; A43-F48 HydrophobicContact CB-CG 4.18Å; Y46-F48 HydrophobicContact CE2-CB 4.44Å; Y46-F48 HydrophobicContact CE2-CD2 4.35Å; Y46-F48 PolarHBondContact O-N 3.24Å; F48-S50 PolarHBondContact O-N 3.27Å; F48-I53 HydrophobicContact CD2-CD1 4.22Å; F48-I53 HydrophobicContact CE2-CD1 3.79Å; F48-I53 HydrophobicContact CE2-CG1 3.7Å; F48-I53 HydrophobicContact CZ-CG1 4.36Å; F48-P72 HydrophobicContact CD1-CB 3.91Å; F48-P72 HydrophobicContact CD1-CG 4.28Å; F48-P72 HydrophobicContact CD2-CG 4.26Å; F48-P72 HydrophobicContact CE1-CB 3.66Å; F48-P72 HydrophobicContact CE1-CG 3.88Å; F48-P72 HydrophobicContact CE2-CB 4.49Å; F48-P72 HydrophobicContact CE2-CG 3.85Å; F48-P72 HydrophobicContact CG-CB 4.45Å; F48-P72 HydrophobicContact CG-CG 4.49Å; F48-P72 HydrophobicContact CZ-CB 3.97Å; F48-P72 HydrophobicContact CZ-CG 3.64Å; F48-V91 HydrophobicContact CE1-CG2 3.37Å; F48-V91 HydrophobicContact CZ-CG2 3.61Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-A98 HydrophobicContact CE2-CB 4.49Å; F48-A98 HydrophobicContact CZ-CB 4.12Å
49	T	98.1	Very high	97.4	Very high	57 Å²	57	42.8 Å²	42.8	35%	0.35	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-69.5	-8.6	-179.9	52.4	0	0	0	0	114.8	T47 G73 T93	T47-T49 PolarHBondContact O-N 2.81Å; T47-T49 VanDerWaalsContact O-N 3.16Å; T49-G73 VanDerWaalsContact O-CA 3.23Å; T49-G73 WeakPolarHBondContact O-CA 3.49Å; T49-G73 PolarHBondContact O-N 2.61Å; T49-T93 HydrophobicContact CG2-CG2 4Å
50	S	97.4	Very high	97.3	Very high	59 Å²	59	46.7 Å²	46.7	41%	0.413	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-101.4	-2.1	-175.4	-55.7	0	0	0	0	114.6	T47 F48	T47-S50 WeakPolarHBondContact CG2-OG 3.37Å; T47-S50 WeakPolarHBondContact O-CB 3.17Å; T47-S50 PolarHBondContact O-N 2.86Å; F48-S50 PolarHBondContact O-N 3.27Å
51	Y	97.4	Very high	97.1	Very high	103 Å²	103	49.5 Å²	49.5	40%	0.404	29%	0.287	S	S	.	.	S	Bend	trans	-135.9	144.8	-174.2	-66.7	-91.9	0	0	0	112.4	Y46 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CD2 3.61Å; Y46-Y51 HydrophobicContact CD2-CE2 4.13Å; Y46-Y51 HydrophobicContact CD2-CG 4.37Å; Y46-Y51 HydrophobicContact CE2-CD2 4.02Å; Y46-Y51 HydrophobicContact CE2-CG 4.41Å; Y51-P72 WeakPolarHBondContact O-CD 3.29Å; Y51-R117 HydrophobicContact CD1-CG 4.19Å; Y51-R117 VanDerWaalsContact CD2-NE 3.31Å; Y51-R117 HydrophobicContact CG-CG 4.15Å; Y51-R117 PolarHBondContact OH-NH2 3.18Å
52	W	98.4	Very high	96.9	Very high	95 Å²	95	54.6 Å²	54.6	36%	0.36	31%	0.311	S	S	.	.			trans	-66.6	144	172.1	-68.9	88	0	0	0	111.1	D69 I70 Y71 S76 N78	W52-D69 HydrophobicContact CE3-CB 3.91Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.38Å; W52-I70 WeakPolarHBondContact CA-O 3.39Å; W52-Y71 AromaticContact CD1-CD2 3.75Å; W52-Y71 AromaticContact CD2-CD2 3.94Å; W52-Y71 HydrophobicContact CD2-CD2 3.94Å; W52-Y71 HydrophobicContact CD2-CG 4.23Å; W52-Y71 AromaticContact CE2-CD2 3.78Å; W52-Y71 AromaticContact CE2-CG 3.96Å; W52-Y71 AromaticContact CG-CD2 3.93Å; W52-Y71 HydrophobicContact CG-CD2 3.93Å; W52-Y71 HydrophobicContact CZ2-CD2 4.42Å; W52-Y71 HydrophobicContact CZ2-CG 4.15Å; W52-Y71 VanDerWaalsContact CZ3-N 3.33Å; W52-Y71 AromaticContact NE1-CD2 3.64Å; W52-S76 WeakPolarHBondContact CZ3-O 3.36Å; W52-N78 WeakPolarHBondContact CZ3-ND2 3.28Å
53	I	98.6	Very high	96.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.4	168.7	-53.4	-60.6	0	0	0	108.1	Y46 F48 D69 I70 P72 A98 C115 A116 R117	Y46-I53 VanDerWaalsContact OH-CD1 3.29Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.46Å; F48-I53 HydrophobicContact CD2-CD1 4.22Å; F48-I53 HydrophobicContact CE2-CD1 3.79Å; F48-I53 HydrophobicContact CE2-CG1 3.7Å; F48-I53 HydrophobicContact CZ-CG1 4.36Å; I53-D69 CarbonylContact O-C 3.47Å; I53-D69 WeakPolarHBondContact O-CA 3.48Å; I53-I70 HydrophobicContact CB-CG2 4.12Å; I53-I70 PolarHBondContact N-O 3.47Å; I53-I70 PolarHBondContact O-N 3.47Å; I53-P72 HydrophobicContact CG1-CG 3.95Å; I53-A98 HydrophobicContact CB-CB 4.1Å; I53-A98 HydrophobicContact CG1-CB 4.1Å; I53-A98 HydrophobicContact CG2-CB 3.85Å; I53-C115 HydrophobicContact CG2-CB 4.21Å; I53-A116 CarbonylContact C-O 3.58Å; I53-A116 WeakPolarHBondContact CA-O 3.38Å; I53-R117 HydrophobicContact CD1-CB 4.34Å
54	T	98.6	Very high	96.7	Very high	31 Å²	31	57.1 Å²	57.1	19%	0.19	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.2	-178.7	-62.6	0	0	0	0	110.4	V56 C115 A116	T54-V56 HydrophobicContact CG2-CG2 3.86Å; T54-C115 CarbonylContact O-C 3.59Å; T54-C115 VanDerWaalsContact O-CA 3.31Å; T54-C115 WeakPolarHBondContact O-CA 3.47Å; T54-A116 PolarHBondContact N-O 2.99Å; T54-A116 PolarHBondContact O-N 2.91Å
55	W	98.6	Very high	96.7	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.4	173	-68	89.9	0	0	0	111	M39 C41 I67 G68 L89 A98 M100 Y114 C115	M39-W55 HydrophobicContact CB-CH2 3.98Å; M39-W55 HydrophobicContact CB-CZ3 3.95Å; C41-W55 HydrophobicContact CB-CH2 3.8Å; C41-W55 HydrophobicContact CB-CZ2 3.88Å; W55-I67 HydrophobicContact CB-CB 4.2Å; W55-I67 HydrophobicContact CB-CD1 4.35Å; W55-I67 WeakPolarHBondContact O-CB 3.4Å; W55-I67 PolarHBondContact O-N 2.87Å; W55-G68 PolarHBondContact N-O 2.98Å; W55-L89 HydrophobicContact CG-CD2 4.13Å; W55-A98 HydrophobicContact CZ2-CB 4.48Å; W55-M100 HydrophobicContact CB-SD 3.82Å; W55-M100 HydrophobicContact CD2-CB 3.58Å; W55-M100 HydrophobicContact CD2-CE 4.25Å; W55-M100 HydrophobicContact CD2-CG 4.36Å; W55-M100 HydrophobicContact CD2-SD 3.98Å; W55-M100 HydrophobicContact CE3-CB 3.86Å; W55-M100 HydrophobicContact CE3-CE 3.68Å; W55-M100 HydrophobicContact CE3-SD 4.04Å; W55-M100 HydrophobicContact CG-CB 4.09Å; W55-M100 HydrophobicContact CG-SD 3.91Å; W55-M100 HydrophobicContact CH2-CB 4.05Å; W55-M100 HydrophobicContact CZ2-CB 3.79Å; W55-M100 HydrophobicContact CZ3-CB 4.08Å; W55-M100 HydrophobicContact CZ3-CE 4.19Å; W55-Y114 WeakPolarHBondContact CA-O 3.2Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.19Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.36Å; W55-C115 HydrophobicContact CZ3-CB 4.11Å
56	V	98.2	Very high	96.9	Very high	24 Å²	24	59.2 Å²	59.2	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.3	-175.7	-172.7	0	0	0	0	110.2	T54 L64 Y113 Y114	T54-V56 HydrophobicContact CG2-CG2 3.86Å; V56-L64 HydrophobicContact CG1-CB 3.71Å; V56-L64 HydrophobicContact CG1-CD2 3.82Å; V56-L64 HydrophobicContact CG1-CG 4.21Å; V56-Y113 WeakPolarHBondContact O-CA 3.48Å; V56-Y114 PolarHBondContact N-O 3.33Å; V56-Y114 PolarHBondContact O-N 3.49Å
57	K	97.4	Very high	97	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.3	174.5	-174.3	178.2	-177.2	177	0	110.5	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.42Å; K57-E65 PolarHBondContact N-O 2.87Å; K57-E65 PolarHBondContact O-N 3.28Å; K57-I67 HydrophobicContact CB-CD1 4.04Å; K57-I67 HydrophobicContact CB-CG1 4.18Å; K57-F83 HydrophobicContact CD-CE1 4.07Å; K57-F83 HydrophobicContact CD-CZ 3.99Å; K57-E108 PolarHBondContact NZ-O 2.87Å; K57-D109 IonicContact NZ-OD1 2.9Å; K57-D109 PolarHBondContact NZ-OD1 3.16Å; K57-A111 HydrophobicContact CD-CB 4.2Å; K57-A111 HydrophobicContact CG-CB 3.55Å; K57-Y113 HydrophobicContact CB-CD1 4.17Å; K57-Y113 HydrophobicContact CB-CE1 3.94Å; K57-Y113 HydrophobicContact CD-CE1 3.98Å; K57-Y113 WeakPolarHBondContact CE-OH 3.44Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.75Å
58	Q	97.4	Very high	97.2	Very high	70 Å²	70	53.3 Å²	53.3	33%	0.327	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.8	170.3	-167.5	-178.9	25.3	0	0	110.5	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.86Å; Q58-L64 HydrophobicContact CG-CD2 4.01Å; Q58-A111 WeakPolarHBondContact O-CA 3.47Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.29Å; Q58-V112 PolarHBondContact N-O 2.76Å; Q58-V112 PolarHBondContact O-N 3.36Å; Q58-Y114 HydrophobicContact CB-CD2 4.49Å; Q58-Y114 HydrophobicContact CB-CE2 3.94Å; Q58-Y114 PolarHBondContact OE1-OH 3.13Å
59	R	95.4	Very high	97.2	Very high	51 Å²	51	54.2 Å²	54.2	19%	0.192	31%	0.309	C	S	.	.			trans	-87.7	151.9	171.5	-62.3	-174	-168.3	84.1	-4.3	110.4	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.81Å; R59-Q62 HydrophobicContact CB-CB 4.05Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.92Å; R59-E65 IonicContact CZ-OE2 3.32Å; R59-E65 IonicContact NH1-OE2 2.83Å; R59-E65 PolarHBondContact NH1-OE2 2.79Å; R59-E65 IonicContact NH2-OE2 2.82Å; R59-E108 PolarHBondContact NE-O 3.46Å; R59-A111 HydrophobicContact CG-CB 4.11Å
60	P	94.4	Very high	97.3	Very high	116 Å²	116	51.7 Å²	51.7	75%	0.753	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	126.3	173.2	-25.4	34.6	0	0	0	111.5	Q62	P60-Q62 PolarHBondContact O-N 3.13Å
61	G	95	Very high	97.3	Very high	94 Å²	94	52 Å²	52	97%	0.969	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	6.6	179.9	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 2.81Å
62	Q	94.3	Very high	97.4	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	27%	0.268	S	S	.	.	S	Bend	trans	-114.9	162.5	176.8	-58	-174	16.1	0	0	111.7	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.05Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.92Å; P60-Q62 PolarHBondContact O-N 3.13Å
63	G	94.2	Very high	97.4	Very high	59 Å²	59	45 Å²	45	61%	0.608	27%	0.274	S	S	*	.			trans	-68.1	176.2	172.8	0	0	0	0	0	113.3
64	L	97	Very high	97.3	Very high	121 Å²	121	48.6 Å²	48.6	63%	0.634	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	131.9	172.1	-66.1	175.9	0	0	0	110.2	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.71Å; V56-L64 HydrophobicContact CG1-CD2 3.82Å; V56-L64 HydrophobicContact CG1-CG 4.21Å; Q58-L64 HydrophobicContact CB-CD2 3.86Å; Q58-L64 HydrophobicContact CG-CD2 4.01Å
65	E	97.7	Very high	97.3	Very high	30 Å²	30	48.8 Å²	48.8	14%	0.14	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.3	176.5	-172.4	169.7	-149.1	0	0	109.2	K57 R59 K82 F83	K57-E65 HydrophobicContact CB-CB 4.42Å; K57-E65 PolarHBondContact N-O 2.87Å; K57-E65 PolarHBondContact O-N 3.28Å; R59-E65 IonicContact CZ-OE2 3.32Å; R59-E65 IonicContact NH1-OE2 2.83Å; R59-E65 PolarHBondContact NH1-OE2 2.79Å; R59-E65 IonicContact NH2-OE2 2.82Å; E65-K82 VanDerWaalsContact OE1-CD 3.29Å; E65-K82 WeakPolarHBondContact OE1-CD 3.29Å; E65-K82 IonicContact OE1-NZ 3.56Å; E65-K82 PolarHBondContact OE1-NZ 2.95Å; E65-F83 HydrophobicContact CG-CE2 3.8Å; E65-F83 HydrophobicContact CG-CZ 4.12Å
66	W	98.1	Very high	97.3	Very high	93 Å²	93	51.7 Å²	51.7	35%	0.352	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.4	177.6	178.8	79.2	0	0	0	110.5	D69 N78 Y79 N80	W66-D69 HydrophobicContact CZ2-CB 4.44Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.38Å; W66-N78 HydrophobicContact CH2-CB 4.04Å; W66-N78 HydrophobicContact CZ2-CB 4.3Å; W66-Y79 VanDerWaalsContact CH2-C 3.5Å; W66-N80 HydrophobicContact CE3-CB 3.61Å; W66-N80 HydrophobicContact CZ3-CB 3.77Å; W66-N80 VanDerWaalsContact O-CB 3.23Å; W66-N80 WeakPolarHBondContact O-CB 3.23Å; W66-N80 PolarHBondContact O-ND2 3.49Å
67	I	98.3	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-46.9	-179.4	-60.7	174.3	0	0	0	110.5	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.2Å; W55-I67 HydrophobicContact CB-CD1 4.35Å; W55-I67 WeakPolarHBondContact O-CB 3.4Å; W55-I67 PolarHBondContact O-N 2.87Å; K57-I67 HydrophobicContact CB-CD1 4.04Å; K57-I67 HydrophobicContact CB-CG1 4.18Å; I67-N80 WeakPolarHBondContact O-CB 3.42Å; I67-N80 PolarHBondContact O-N 2.61Å; I67-F83 HydrophobicContact CB-CD2 4.42Å; I67-F83 HydrophobicContact CB-CG 4.31Å; I67-F83 HydrophobicContact CG1-CD1 4.21Å; I67-F83 HydrophobicContact CG1-CD2 4.35Å; I67-F83 HydrophobicContact CG1-CE1 4.14Å; I67-F83 HydrophobicContact CG1-CE2 4.29Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 4.17Å; I67-F83 HydrophobicContact CG2-CB 3.78Å; I67-F83 HydrophobicContact CG2-CD1 4.07Å; I67-F83 HydrophobicContact CG2-CD2 4.4Å; I67-F83 HydrophobicContact CG2-CG 3.83Å; I67-A87 HydrophobicContact CG2-CB 3.86Å; I67-M100 HydrophobicContact CD1-CE 3.98Å; I67-M100 HydrophobicContact CD1-SD 3.61Å; I67-M100 HydrophobicContact CG2-SD 3.93Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.69Å
68	G	98.5	Very high	97.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	173.4	-170.1	0	0	0	0	0	111.6	W55 N78	W55-G68 PolarHBondContact N-O 2.98Å; G68-N78 CarbonylContact C-O 3.59Å; G68-N78 WeakPolarHBondContact CA-O 3.38Å
69	D	98.6	Very high	97.4	Very high	26 Å²	26	56 Å²	56	14%	0.139	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.5	172.9	57.2	41.1	0	0	0	111.5	W52 I53 W66 T77 N78 L89	W52-D69 HydrophobicContact CE3-CB 3.91Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.38Å; I53-D69 CarbonylContact O-C 3.47Å; I53-D69 WeakPolarHBondContact O-CA 3.48Å; W66-D69 HydrophobicContact CZ2-CB 4.44Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.38Å; D69-T77 CarbonylContact O-C 3.58Å; D69-T77 VanDerWaalsContact O-CA 3.25Å; D69-T77 WeakPolarHBondContact O-CA 3.42Å; D69-N78 PolarHBondContact N-O 2.84Å; D69-N78 PolarHBondContact O-N 2.79Å; D69-N78 VanDerWaalsContact OD1-CB 3.27Å; D69-N78 WeakPolarHBondContact OD1-CB 3.28Å; D69-N78 PolarHBondContact OD1-N 2.84Å; D69-N78 PolarHBondContact OD1-ND2 3.03Å; D69-L89 WeakPolarHBondContact O-CD1 3.43Å
70	I	98.8	Very high	97.5	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	174.2	-175.2	165	0	0	0	109.6	W52 I53 P72 S76 T77 L89 V91 A98	W52-I70 WeakPolarHBondContact CA-O 3.39Å; I53-I70 HydrophobicContact CB-CG2 4.12Å; I53-I70 PolarHBondContact N-O 3.47Å; I53-I70 PolarHBondContact O-N 3.47Å; I70-P72 VanDerWaalsContact O-CD 3.32Å; I70-P72 WeakPolarHBondContact O-CD 2.98Å; I70-S76 CarbonylContact C-O 3.55Å; I70-S76 WeakPolarHBondContact CA-O 3.23Å; I70-T77 HydrophobicContact CB-CG2 4.08Å; I70-T77 HydrophobicContact CD1-CG2 3.88Å; I70-T77 HydrophobicContact CG1-CG2 3.84Å; I70-L89 HydrophobicContact CB-CB 4.15Å; I70-L89 HydrophobicContact CB-CD1 4.41Å; I70-L89 HydrophobicContact CD1-CB 4.3Å; I70-V91 HydrophobicContact CD1-CB 3.96Å; I70-V91 HydrophobicContact CD1-CG1 4.06Å; I70-A98 HydrophobicContact CG2-CB 4.38Å
71	Y	98.7	Very high	97.6	Very high	67 Å²	67	56.1 Å²	56.1	26%	0.263	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.2	171.5	-169.7	-118.2	0	0	0	109.3	W52 G73 S74 G75 S76	W52-Y71 AromaticContact CD1-CD2 3.75Å; W52-Y71 AromaticContact CD2-CD2 3.94Å; W52-Y71 HydrophobicContact CD2-CD2 3.94Å; W52-Y71 HydrophobicContact CD2-CG 4.23Å; W52-Y71 AromaticContact CE2-CD2 3.78Å; W52-Y71 AromaticContact CE2-CG 3.96Å; W52-Y71 AromaticContact CG-CD2 3.93Å; W52-Y71 HydrophobicContact CG-CD2 3.93Å; W52-Y71 HydrophobicContact CZ2-CD2 4.42Å; W52-Y71 HydrophobicContact CZ2-CG 4.15Å; W52-Y71 VanDerWaalsContact CZ3-N 3.33Å; W52-Y71 AromaticContact NE1-CD2 3.64Å; Y71-G73 PolarHBondContact O-N 2.98Å; Y71-G73 VanDerWaalsContact O-N 3.12Å; Y71-S74 WeakPolarHBondContact CD1-OG 3.49Å; Y71-S74 PolarHBondContact O-N 2.84Å; Y71-G75 WeakPolarHBondContact O-CA 3.38Å; Y71-G75 PolarHBondContact O-N 3.12Å; Y71-S76 PolarHBondContact N-O 2.9Å
72	P	98.5	Very high	97.7	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.032	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28	-176.8	-28.8	40.7	0	0	0	114.1	F48 Y51 I53 I70 S74 V91 T93	F48-P72 HydrophobicContact CD1-CB 3.91Å; F48-P72 HydrophobicContact CD1-CG 4.28Å; F48-P72 HydrophobicContact CD2-CG 4.26Å; F48-P72 HydrophobicContact CE1-CB 3.66Å; F48-P72 HydrophobicContact CE1-CG 3.88Å; F48-P72 HydrophobicContact CE2-CB 4.49Å; F48-P72 HydrophobicContact CE2-CG 3.85Å; F48-P72 HydrophobicContact CG-CB 4.45Å; F48-P72 HydrophobicContact CG-CG 4.49Å; F48-P72 HydrophobicContact CZ-CB 3.97Å; F48-P72 HydrophobicContact CZ-CG 3.64Å; Y51-P72 WeakPolarHBondContact O-CD 3.29Å; I53-P72 HydrophobicContact CG1-CG 3.95Å; I70-P72 VanDerWaalsContact O-CD 3.32Å; I70-P72 WeakPolarHBondContact O-CD 2.98Å; P72-S74 PolarHBondContact O-N 2.78Å; P72-V91 HydrophobicContact CB-CG2 3.77Å; P72-V91 HydrophobicContact CG-CG2 4.17Å; P72-T93 WeakPolarHBondContact O-CG2 3.44Å
73	G	98.1	Very high	97.8	Very high	46 Å²	46	53.9 Å²	53.9	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.4	-179.5	0	0	0	0	0	114.6	T49 Y71	T49-G73 VanDerWaalsContact O-CA 3.23Å; T49-G73 WeakPolarHBondContact O-CA 3.49Å; T49-G73 PolarHBondContact O-N 2.61Å; Y71-G73 PolarHBondContact O-N 2.98Å; Y71-G73 VanDerWaalsContact O-N 3.12Å
74	S	97.9	Very high	97.8	Very high	74 Å²	74	56.6 Å²	56.6	52%	0.517	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-14	179.9	66.8	0	0	0	0	114.1	Y71 P72 S76	Y71-S74 WeakPolarHBondContact CD1-OG 3.49Å; Y71-S74 PolarHBondContact O-N 2.84Å; P72-S74 PolarHBondContact O-N 2.78Å; S74-S76 PolarHBondContact O-N 2.9Å; S74-S76 VanDerWaalsContact OG-CB 3.28Å; S74-S76 WeakPolarHBondContact OG-CB 3.43Å; S74-S76 PolarHBondContact OG-N 2.9Å; S74-S76 VanDerWaalsContact OG-N 3.15Å; S74-S76 PolarHBondContact OG-OG 2.86Å
75	G	97.7	Very high	97.8	Very high	36 Å²	36	56.2 Å²	56.2	37%	0.371	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	7.2	-168.5	0	0	0	0	0	114	Y71	Y71-G75 WeakPolarHBondContact O-CA 3.38Å; Y71-G75 PolarHBondContact O-N 3.12Å
76	S	98.4	Very high	97.7	Very high	61 Å²	61	56.7 Å²	56.7	43%	0.427	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	137.5	178.2	-62.6	0	0	0	0	110.8	W52 I70 Y71 S74	W52-S76 WeakPolarHBondContact CZ3-O 3.36Å; I70-S76 CarbonylContact C-O 3.55Å; I70-S76 WeakPolarHBondContact CA-O 3.23Å; Y71-S76 PolarHBondContact N-O 2.9Å; S74-S76 PolarHBondContact O-N 2.9Å; S74-S76 VanDerWaalsContact OG-CB 3.28Å; S74-S76 WeakPolarHBondContact OG-CB 3.43Å; S74-S76 PolarHBondContact OG-N 2.9Å; S74-S76 VanDerWaalsContact OG-N 3.15Å; S74-S76 PolarHBondContact OG-OG 2.86Å
77	T	98.6	Very high	97.7	Very high	55 Å²	55	52.4 Å²	52.4	34%	0.337	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.4	-178.2	56.4	0	0	0	0	111.8	D69 I70 Y79 L89	D69-T77 CarbonylContact O-C 3.58Å; D69-T77 VanDerWaalsContact O-CA 3.25Å; D69-T77 WeakPolarHBondContact O-CA 3.42Å; I70-T77 HydrophobicContact CB-CG2 4.08Å; I70-T77 HydrophobicContact CD1-CG2 3.88Å; I70-T77 HydrophobicContact CG1-CG2 3.84Å; T77-Y79 HydrophobicContact CG2-CE2 4.48Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.44Å; T77-L89 HydrophobicContact CG2-CB 3.99Å
78	N	98.4	Very high	97.7	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.5	163.9	-52.9	-67.3	0	0	0	110	W52 W66 G68 D69	W52-N78 WeakPolarHBondContact CZ3-ND2 3.28Å; W66-N78 HydrophobicContact CH2-CB 4.04Å; W66-N78 HydrophobicContact CZ2-CB 4.3Å; G68-N78 CarbonylContact C-O 3.59Å; G68-N78 WeakPolarHBondContact CA-O 3.38Å; D69-N78 PolarHBondContact N-O 2.84Å; D69-N78 PolarHBondContact O-N 2.79Å; D69-N78 VanDerWaalsContact OD1-CB 3.27Å; D69-N78 WeakPolarHBondContact OD1-CB 3.28Å; D69-N78 PolarHBondContact OD1-N 2.84Å; D69-N78 PolarHBondContact OD1-ND2 3.03Å
79	Y	98.5	Very high	97.8	Very high	51 Å²	51	56.1 Å²	56.1	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.1	-179.5	-67	-89.6	0	0	0	110.6	W66 T77 K84 A87 L89	W66-Y79 VanDerWaalsContact CH2-C 3.5Å; T77-Y79 HydrophobicContact CG2-CE2 4.48Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.44Å; Y79-K84 HydrophobicContact CG-CG 4.49Å; Y79-A87 HydrophobicContact CD1-CB 4.45Å; Y79-A87 HydrophobicContact CE1-CB 4.23Å; Y79-A87 WeakPolarHBondContact CE1-O 2.97Å; Y79-L89 HydrophobicContact CE1-CD1 4.13Å; Y79-L89 HydrophobicContact CE1-CG 3.73Å; Y79-L89 PolarHBondContact OH-N 2.84Å
80	N	97.7	Very high	97.7	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.203	33%	0.328	C	S	.	.			trans	-70.3	131.7	156.5	-177	-30.1	0	0	0	108	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.61Å; W66-N80 HydrophobicContact CZ3-CB 3.77Å; W66-N80 VanDerWaalsContact O-CB 3.23Å; W66-N80 WeakPolarHBondContact O-CB 3.23Å; W66-N80 PolarHBondContact O-ND2 3.49Å; I67-N80 WeakPolarHBondContact O-CB 3.42Å; I67-N80 PolarHBondContact O-N 2.61Å; N80-K82 PolarHBondContact O-N 3.04Å; N80-K82 PolarHBondContact OD1-N 3.24Å; N80-F83 HydrophobicContact CB-CD2 3.97Å; N80-F83 PolarHBondContact O-N 3.32Å; N80-K84 PolarHBondContact O-N 2.82Å; N80-K84 VanDerWaalsContact O-N 3.13Å
81	E	97.3	Very high	97.7	Very high	131 Å²	131	59.6 Å²	59.6	61%	0.612	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.6	-178.5	-69.7	-61.1	148.5	0	0	112.8	F83 K84	E81-F83 PolarHBondContact O-N 3.3Å; E81-K84 IonicContact OE1-NZ 3.67Å; E81-K84 PolarHBondContact OE1-NZ 3.28Å; E81-K84 VanDerWaalsContact OE2-CD 3.23Å; E81-K84 WeakPolarHBondContact OE2-CD 3.44Å; E81-K84 IonicContact OE2-NZ 3.24Å; E81-K84 PolarHBondContact OE2-NZ 2.86Å
82	K	95.5	Very high	97.7	Very high	147 Å²	147	59 Å²	59	64%	0.639	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.2	174.8	-66.3	-174.6	-172.9	177.5	0	114.4	E65 N80	E65-K82 VanDerWaalsContact OE1-CD 3.29Å; E65-K82 WeakPolarHBondContact OE1-CD 3.29Å; E65-K82 IonicContact OE1-NZ 3.56Å; E65-K82 PolarHBondContact OE1-NZ 2.95Å; N80-K82 PolarHBondContact O-N 3.04Å; N80-K82 PolarHBondContact OD1-N 3.24Å
83	F	96.9	Very high	97.7	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.035	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-9.9	-174.8	-65.8	-87.8	0	0	0	113.2	K57 E65 I67 N80 E81 S85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.07Å; K57-F83 HydrophobicContact CD-CZ 3.99Å; E65-F83 HydrophobicContact CG-CE2 3.8Å; E65-F83 HydrophobicContact CG-CZ 4.12Å; I67-F83 HydrophobicContact CB-CD2 4.42Å; I67-F83 HydrophobicContact CB-CG 4.31Å; I67-F83 HydrophobicContact CG1-CD1 4.21Å; I67-F83 HydrophobicContact CG1-CD2 4.35Å; I67-F83 HydrophobicContact CG1-CE1 4.14Å; I67-F83 HydrophobicContact CG1-CE2 4.29Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 4.17Å; I67-F83 HydrophobicContact CG2-CB 3.78Å; I67-F83 HydrophobicContact CG2-CD1 4.07Å; I67-F83 HydrophobicContact CG2-CD2 4.4Å; I67-F83 HydrophobicContact CG2-CG 3.83Å; N80-F83 HydrophobicContact CB-CD2 3.97Å; N80-F83 PolarHBondContact O-N 3.32Å; E81-F83 PolarHBondContact O-N 3.3Å; F83-S85 PolarHBondContact O-N 3.04Å; F83-S85 VanDerWaalsContact O-N 3.13Å; F83-K86 PolarHBondContact O-N 3.06Å; F83-A87 HydrophobicContact CB-CB 4.16Å; F83-A87 WeakPolarHBondContact O-CB 3.2Å; F83-A87 PolarHBondContact O-N 2.97Å
84	K	95.8	Very high	97.6	Very high	117 Å²	117	65.1 Å²	65.1	51%	0.509	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.9	-174.5	-166.9	176.4	-170.2	172.2	0	114.3	Y79 N80 E81	Y79-K84 HydrophobicContact CG-CG 4.49Å; N80-K84 PolarHBondContact O-N 2.82Å; N80-K84 VanDerWaalsContact O-N 3.13Å; E81-K84 IonicContact OE1-NZ 3.67Å; E81-K84 PolarHBondContact OE1-NZ 3.28Å; E81-K84 VanDerWaalsContact OE2-CD 3.23Å; E81-K84 WeakPolarHBondContact OE2-CD 3.44Å; E81-K84 IonicContact OE2-NZ 3.24Å; E81-K84 PolarHBondContact OE2-NZ 2.86Å
85	S	95.7	Very high	97.6	Very high	112 Å²	112	63.5 Å²	63.5	78%	0.783	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-10.7	176.5	59.6	0	0	0	0	114.2	F83	F83-S85 PolarHBondContact O-N 3.04Å; F83-S85 VanDerWaalsContact O-N 3.13Å
86	K	96.7	Very high	97.7	Very high	40 Å²	40	63.6 Å²	63.6	17%	0.174	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-35.2	-168.2	-163.1	170.8	-170.3	163.7	0	113.5	F83 L102 S103 S104 D109	F83-K86 PolarHBondContact O-N 3.06Å; K86-L102 WeakPolarHBondContact O-CA 3.27Å; K86-S103 WeakPolarHBondContact CE-O 3.32Å; K86-S103 WeakPolarHBondContact CG-O 3.03Å; K86-S103 PolarHBondContact O-N 3.37Å; K86-S103 PolarHBondContact O-OG 2.99Å; K86-S103 VanDerWaalsContact O-OG 3.1Å; K86-S104 WeakPolarHBondContact CE-O 2.94Å; K86-S104 PolarHBondContact NZ-O 2.92Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 VanDerWaalsContact NZ-CG 3.25Å; K86-D109 IonicContact NZ-OD1 3.28Å; K86-D109 PolarHBondContact NZ-OD1 3.45Å; K86-D109 IonicContact NZ-OD2 2.53Å; K86-D109 PolarHBondContact NZ-OD2 3.21Å
87	A	98	Very high	97.7	Very high	3 Å²	3	61 Å²	61	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.7	-177.8	0	0	0	0	0	111.3	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.86Å; Y79-A87 HydrophobicContact CD1-CB 4.45Å; Y79-A87 HydrophobicContact CE1-CB 4.23Å; Y79-A87 WeakPolarHBondContact CE1-O 2.97Å; F83-A87 HydrophobicContact CB-CB 4.16Å; F83-A87 WeakPolarHBondContact O-CB 3.2Å; F83-A87 PolarHBondContact O-N 2.97Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.1Å; A87-L102 HydrophobicContact CB-CD2 3.67Å
88	T	98.4	Very high	97.7	Very high	70 Å²	70	58.4 Å²	58.4	43%	0.429	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.3	170	-56	0	0	0	0	108.6	T90 Q101	T88-T90 HydrophobicContact CG2-CG2 4.23Å; T88-Q101 PolarHBondContact N-O 3.25Å; T88-Q101 PolarHBondContact O-N 3.22Å
89	L	98.6	Very high	97.7	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.2	178.2	-53.6	-175.5	0	0	0	109.8	W55 D69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.13Å; D69-L89 WeakPolarHBondContact O-CD1 3.43Å; I70-L89 HydrophobicContact CB-CB 4.15Å; I70-L89 HydrophobicContact CB-CD1 4.41Å; I70-L89 HydrophobicContact CD1-CB 4.3Å; T77-L89 HydrophobicContact CG2-CB 3.99Å; Y79-L89 HydrophobicContact CE1-CD1 4.13Å; Y79-L89 HydrophobicContact CE1-CG 3.73Å; Y79-L89 PolarHBondContact OH-N 2.84Å; L89-Y99 WeakPolarHBondContact CA-O 3.31Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.65Å; L89-M100 HydrophobicContact CD2-SD 4.28Å
90	T	98.5	Very high	97.7	Very high	59 Å²	59	54.8 Å²	54.8	36%	0.362	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	165.2	177.6	61	0	0	0	0	110.3	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.23Å; T90-Y99 PolarHBondContact N-O 2.94Å; T90-Y99 PolarHBondContact O-N 3.39Å
91	V	98.4	Very high	97.7	Very high	43 Å²	43	56.9 Å²	56.9	26%	0.261	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.3	-178.6	66.3	0	0	0	0	111.3	F48 I70 P72 T93	F48-V91 HydrophobicContact CE1-CG2 3.37Å; F48-V91 HydrophobicContact CZ-CG2 3.61Å; I70-V91 HydrophobicContact CD1-CB 3.96Å; I70-V91 HydrophobicContact CD1-CG1 4.06Å; P72-V91 HydrophobicContact CB-CG2 3.77Å; P72-V91 HydrophobicContact CG-CG2 4.17Å; V91-T93 HydrophobicContact CG1-CG2 4.47Å; V91-T93 HydrophobicContact CG2-CG2 4.23Å
92	D	98.2	Very high	97.7	Very high	53 Å²	53	50.7 Å²	50.7	28%	0.283	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103.2	164	173.5	11.6	0	0	0	108	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 PolarHBondContact O-N 2.83Å; D92-S94 WeakPolarHBondContact OD1-CB 3.47Å; D92-S94 PolarHBondContact OD1-N 2.86Å; D92-S94 PolarHBondContact OD1-OG 2.82Å; D92-S94 PolarHBondContact OD2-OG 2.02Å; D92-S95 PolarHBondContact OD1-N 2.86Å; D92-S95 VanDerWaalsContact OD2-CB 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 2.99Å; D92-S96 PolarHBondContact O-N 2.87Å; D92-T97 PolarHBondContact N-O 3.44Å; D92-T97 PolarHBondContact O-N 2.95Å; D92-Y99 HydrophobicContact CB-CE2 3.99Å
93	T	97.8	Very high	97.8	Very high	74 Å²	74	45.2 Å²	45.2	45%	0.454	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.6	-178.8	54.4	0	0	0	0	112.5	T49 P72 V91	T49-T93 HydrophobicContact CG2-CG2 4Å; P72-T93 WeakPolarHBondContact O-CG2 3.44Å; V91-T93 HydrophobicContact CG1-CG2 4.47Å; V91-T93 HydrophobicContact CG2-CG2 4.23Å
94	S	97.3	Very high	97.8	Very high	107 Å²	107	48.6 Å²	48.6	75%	0.748	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-33.7	179.9	75.5	0	0	0	0	112.2	D92	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 PolarHBondContact O-N 2.83Å; D92-S94 WeakPolarHBondContact OD1-CB 3.47Å; D92-S94 PolarHBondContact OD1-N 2.86Å; D92-S94 PolarHBondContact OD1-OG 2.82Å; D92-S94 PolarHBondContact OD2-OG 2.02Å
95	S	97.8	Very high	97.8	Very high	39 Å²	39	43.5 Å²	43.5	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	3.3	177.9	69.3	0	0	0	0	113.8	D92 T97	D92-S95 PolarHBondContact OD1-N 2.86Å; D92-S95 VanDerWaalsContact OD2-CB 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 2.99Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 3.48Å; S95-T97 PolarHBondContact O-OG1 2.93Å; S95-T97 VanDerWaalsContact O-OG1 3.12Å; S95-T97 WeakPolarHBondContact OG-CB 3.23Å; S95-T97 PolarHBondContact OG-OG1 3.38Å
96	S	98.1	Very high	97.8	Very high	38 Å²	38	41.3 Å²	41.3	27%	0.266	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	44.3	-171.7	-62.2	0	0	0	0	113	A43 F48 D92	A43-S96 PolarHBondContact N-O 3.28Å; A43-S96 WeakPolarHBondContact O-CB 3.34Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 2.87Å
97	T	98.6	Very high	97.7	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.5	-174.5	-52.8	0	0	0	0	111.1	C41 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.34Å; D92-T97 PolarHBondContact N-O 3.44Å; D92-T97 PolarHBondContact O-N 2.95Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 3.48Å; S95-T97 PolarHBondContact O-OG1 2.93Å; S95-T97 VanDerWaalsContact O-OG1 3.12Å; S95-T97 WeakPolarHBondContact OG-CB 3.23Å; S95-T97 PolarHBondContact OG-OG1 3.38Å; T97-Y99 HydrophobicContact CG2-CD1 4.34Å; T97-Y99 HydrophobicContact CG2-CD2 4.27Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.67Å
98	A	98.7	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.2	166.9	0	0	0	0	0	109.7	S40 C41 F48 I53 W55 I70	S40-A98 CarbonylContact C-O 3.51Å; C41-A98 PolarHBondContact N-O 2.79Å; C41-A98 PolarHBondContact O-N 3.15Å; F48-A98 HydrophobicContact CE2-CB 4.49Å; F48-A98 HydrophobicContact CZ-CB 4.12Å; I53-A98 HydrophobicContact CB-CB 4.1Å; I53-A98 HydrophobicContact CG1-CB 4.1Å; I53-A98 HydrophobicContact CG2-CB 3.85Å; W55-A98 HydrophobicContact CZ2-CB 4.48Å; I70-A98 HydrophobicContact CG2-CB 4.38Å
99	Y	98.6	Very high	97.3	Very high	55 Å²	55	48.3 Å²	48.3	22%	0.216	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	176.6	-56.5	-93.7	0	0	0	111.4	K38 M39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.41Å; K38-Y99 HydrophobicContact CG-CD1 4.31Å; M39-Y99 CarbonylContact O-C 3.49Å; M39-Y99 WeakPolarHBondContact O-CA 3.4Å; M39-Y99 WeakPolarHBondContact O-CB 3.24Å; S40-Y99 VanDerWaalsContact CB-CE1 3.49Å; L89-Y99 WeakPolarHBondContact CA-O 3.31Å; T90-Y99 PolarHBondContact N-O 2.94Å; T90-Y99 PolarHBondContact O-N 3.39Å; D92-Y99 HydrophobicContact CB-CE2 3.99Å; T97-Y99 HydrophobicContact CG2-CD1 4.34Å; T97-Y99 HydrophobicContact CG2-CD2 4.27Å; T97-Y99 HydrophobicContact CG2-CE1 3.77Å; T97-Y99 HydrophobicContact CG2-CE2 3.67Å
100	M	98.3	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.3	165.8	176.7	179	70.7	0	0	108.7	M39 W55 I67 L89 L102 Y113	M39-M100 HydrophobicContact CG-CE 4.24Å; M39-M100 PolarHBondContact N-O 3.48Å; M39-M100 PolarHBondContact O-N 2.53Å; M39-M100 HydrophobicContact SD-CE 3.29Å; M39-M100 WeakPolarHBondContact SD-CE 3.37Å; W55-M100 HydrophobicContact CB-SD 3.82Å; W55-M100 HydrophobicContact CD2-CB 3.58Å; W55-M100 HydrophobicContact CD2-CE 4.25Å; W55-M100 HydrophobicContact CD2-CG 4.36Å; W55-M100 HydrophobicContact CD2-SD 3.98Å; W55-M100 HydrophobicContact CE3-CB 3.86Å; W55-M100 HydrophobicContact CE3-CE 3.68Å; W55-M100 HydrophobicContact CE3-SD 4.04Å; W55-M100 HydrophobicContact CG-CB 4.09Å; W55-M100 HydrophobicContact CG-SD 3.91Å; W55-M100 HydrophobicContact CH2-CB 4.05Å; W55-M100 HydrophobicContact CZ2-CB 3.79Å; W55-M100 HydrophobicContact CZ3-CB 4.08Å; W55-M100 HydrophobicContact CZ3-CE 4.19Å; I67-M100 HydrophobicContact CD1-CE 3.98Å; I67-M100 HydrophobicContact CD1-SD 3.61Å; I67-M100 HydrophobicContact CG2-SD 3.93Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.65Å; L89-M100 HydrophobicContact CD2-SD 4.28Å; M100-L102 HydrophobicContact CE-CD1 3.97Å; M100-L102 HydrophobicContact CE-CD2 4.37Å; M100-L102 HydrophobicContact CE-CG 4.07Å; M100-L102 HydrophobicContact CG-CD2 4.23Å; M100-L102 HydrophobicContact CG-CG 4.32Å; M100-L102 HydrophobicContact SD-CD2 4.04Å; M100-L102 HydrophobicContact SD-CG 4.34Å; M100-Y113 HydrophobicContact CE-CD1 3.63Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4.22Å
101	Q	98.2	Very high	97.1	Very high	81 Å²	81	50.8 Å²	50.8	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.8	169.2	-176.4	171.8	-42.6	0	0	109.2	V37 K38 A87 T88	V37-Q101 CarbonylContact O-C 3.55Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.25Å; K38-Q101 HydrophobicContact CG-CB 4.45Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.1Å; T88-Q101 PolarHBondContact N-O 3.25Å; T88-Q101 PolarHBondContact O-N 3.22Å
102	L	97.7	Very high	97.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.8	169.9	-61.3	174.7	0	0	0	108.6	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.53Å; S36-L102 WeakPolarHBondContact CA-O 3.13Å; S36-L102 WeakPolarHBondContact CB-O 3.46Å; V37-L102 HydrophobicContact CG1-CB 4.11Å; V37-L102 PolarHBondContact N-O 2.85Å; V37-L102 PolarHBondContact O-N 3.12Å; K86-L102 WeakPolarHBondContact O-CA 3.27Å; A87-L102 HydrophobicContact CB-CD2 3.67Å; M100-L102 HydrophobicContact CE-CD1 3.97Å; M100-L102 HydrophobicContact CE-CD2 4.37Å; M100-L102 HydrophobicContact CE-CG 4.07Å; M100-L102 HydrophobicContact CG-CD2 4.23Å; M100-L102 HydrophobicContact CG-CG 4.32Å; M100-L102 HydrophobicContact SD-CD2 4.04Å; M100-L102 HydrophobicContact SD-CG 4.34Å; L102-L105 HydrophobicContact CB-CD2 3.72Å; L102-L105 HydrophobicContact CD1-CD2 4.21Å; L102-Y113 HydrophobicContact CD1-CD1 4.28Å; L102-Y113 HydrophobicContact CD1-CE1 3.51Å; L102-Y113 HydrophobicContact CD1-CE2 4.31Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.5Å
103	S	97.3	Very high	97	Very high	33 Å²	33	50.9 Å²	50.9	23%	0.231	31%	0.311	C	S	.	.			trans	-110.6	159.5	-179.7	58	0	0	0	0	112	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.41Å; K86-S103 WeakPolarHBondContact CE-O 3.32Å; K86-S103 WeakPolarHBondContact CG-O 3.03Å; K86-S103 PolarHBondContact O-N 3.37Å; K86-S103 PolarHBondContact O-OG 2.99Å; K86-S103 VanDerWaalsContact O-OG 3.1Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 3.16Å
104	S	96.6	Very high	97	Very high	78 Å²	78	52 Å²	52	55%	0.545	31%	0.307	S	S	.	.	S	Bend	trans	50.5	51.2	172.8	-56.8	0	0	0	0	113.1	A35 K86	A35-S104 PolarHBondContact O-N 2.81Å; K86-S104 WeakPolarHBondContact CE-O 2.94Å; K86-S104 PolarHBondContact NZ-O 2.92Å
105	L	96.9	Very high	97.1	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.058	28%	0.276	C	S	.	.			trans	-65.7	143.9	-173.6	-68.2	171.3	0	0	0	112.4	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.37Å; V31-L105 HydrophobicContact CG2-CD1 3.5Å; P33-L105 CarbonylContact C-O 3.57Å; P33-L105 WeakPolarHBondContact CA-O 3.4Å; G34-L105 PolarHBondContact N-O 2.84Å; A35-L105 WeakPolarHBondContact O-CG 3.32Å; A35-L105 PolarHBondContact O-N 2.9Å; V37-L105 HydrophobicContact CB-CD1 4Å; V37-L105 HydrophobicContact CG1-CD1 3.75Å; L102-L105 HydrophobicContact CB-CD2 3.72Å; L102-L105 HydrophobicContact CD1-CD2 4.21Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 3.16Å; L105-D109 WeakPolarHBondContact CA-OD2 3.47Å; L105-D109 HydrophobicContact CD2-CB 3.65Å
106	T	95.9	Very high	97.1	Very high	65 Å²	65	47.6 Å²	47.6	40%	0.399	28%	0.279	S	S	.	.			trans	-122	174.2	174.4	69.5	0	0	0	0	109.9	E108 D109	T106-E108 PolarHBondContact O-N 2.86Å; T106-E108 PolarHBondContact OG1-N 2.82Å; T106-D109 PolarHBondContact N-OD2 3.18Å; T106-D109 WeakPolarHBondContact O-CB 3.49Å; T106-D109 PolarHBondContact O-N 2.97Å; T106-D109 PolarHBondContact OG1-OD2 2.99Å
107	S	94.3	Very high	96.8	Very high	108 Å²	108	51.3 Å²	51.3	76%	0.755	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-58.1	-26.7	173.7	50.4	0	0	0	0	112.9	D109 S110	S107-D109 PolarHBondContact O-N 2.98Å; S107-S110 WeakPolarHBondContact O-CB 3.22Å; S107-S110 PolarHBondContact O-N 3.2Å
108	E	93.3	Very high	96.7	Very high	137 Å²	137	53.5 Å²	53.5	64%	0.64	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-70.2	-12.3	176.9	-59.3	-177.3	176.5	0	0	113.5	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 2.87Å; R59-E108 PolarHBondContact NE-O 3.46Å; T106-E108 PolarHBondContact O-N 2.86Å; T106-E108 PolarHBondContact OG1-N 2.82Å
109	D	95	Very high	96.6	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.08	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-90.4	-4.5	174.1	-56.1	-54.9	0	0	0	114	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.9Å; K57-D109 PolarHBondContact NZ-OD1 3.16Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 VanDerWaalsContact NZ-CG 3.25Å; K86-D109 IonicContact NZ-OD1 3.28Å; K86-D109 PolarHBondContact NZ-OD1 3.45Å; K86-D109 IonicContact NZ-OD2 2.53Å; K86-D109 PolarHBondContact NZ-OD2 3.21Å; L105-D109 WeakPolarHBondContact CA-OD2 3.47Å; L105-D109 HydrophobicContact CD2-CB 3.65Å; T106-D109 PolarHBondContact N-OD2 3.18Å; T106-D109 WeakPolarHBondContact O-CB 3.49Å; T106-D109 PolarHBondContact O-N 2.97Å; T106-D109 PolarHBondContact OG1-OD2 2.99Å; S107-D109 PolarHBondContact O-N 2.98Å; D109-A111 PolarHBondContact O-N 3.32Å; D109-Y113 WeakPolarHBondContact O-CE2 3.34Å; D109-Y113 PolarHBondContact O-OH 3.41Å
110	S	95.9	Very high	96.5	Very high	92 Å²	92	56.4 Å²	56.4	64%	0.643	32%	0.32	S	S	*	.			trans	-64.1	107	171.1	-169.8	0	0	0	0	109.8	S107	S107-S110 WeakPolarHBondContact O-CB 3.22Å; S107-S110 PolarHBondContact O-N 3.2Å
111	A	96.7	Very high	96.4	Very high	28 Å²	28	59.7 Å²	59.7	23%	0.231	34%	0.339	C	S	.	.	S	Bend	trans	-162.3	165.5	-171.2	0	0	0	0	0	110.5	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.2Å; K57-A111 HydrophobicContact CG-CB 3.55Å; Q58-A111 WeakPolarHBondContact O-CA 3.47Å; Q58-A111 VanDerWaalsContact O-CB 3.28Å; Q58-A111 WeakPolarHBondContact O-CB 3.29Å; R59-A111 HydrophobicContact CG-CB 4.11Å; D109-A111 PolarHBondContact O-N 3.32Å; A111-Y113 HydrophobicContact CB-CD2 4.3Å; A111-Y113 HydrophobicContact CB-CE2 3.8Å
112	V	97	Very high	96.3	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.455	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.8	160.7	-171.8	0	0	0	0	108.1	Q58 Y114	Q58-V112 PolarHBondContact N-O 2.76Å; Q58-V112 PolarHBondContact O-N 3.36Å; V112-Y114 HydrophobicContact CB-CE2 3.94Å; V112-Y114 HydrophobicContact CG1-CD1 4.45Å; V112-Y114 HydrophobicContact CG1-CD2 4.25Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.58Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.2Å
113	Y	97.6	Very high	96.2	Very high	24 Å²	24	62.2 Å²	62.2	9%	0.094	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.9	179.1	-70.3	-91.3	0	0	0	109.5	Q25 M39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.1Å; Q25-Y113 PolarHBondContact OE1-O 2.99Å; M39-Y113 VanDerWaalsContact CE-CB 3.48Å; M39-Y113 HydrophobicContact CE-CD2 4.13Å; M39-Y113 HydrophobicContact CE-CG 4.02Å; M39-Y113 HydrophobicContact SD-CD1 4.35Å; M39-Y113 HydrophobicContact SD-CD2 4.2Å; M39-Y113 HydrophobicContact SD-CG 3.84Å; V56-Y113 WeakPolarHBondContact O-CA 3.48Å; K57-Y113 HydrophobicContact CB-CD1 4.17Å; K57-Y113 HydrophobicContact CB-CE1 3.94Å; K57-Y113 HydrophobicContact CD-CE1 3.98Å; K57-Y113 WeakPolarHBondContact CE-OH 3.44Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.75Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.69Å; M100-Y113 HydrophobicContact CE-CD1 3.63Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4.22Å; L102-Y113 HydrophobicContact CD1-CD1 4.28Å; L102-Y113 HydrophobicContact CD1-CE1 3.51Å; L102-Y113 HydrophobicContact CD1-CE2 4.31Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.5Å; D109-Y113 WeakPolarHBondContact O-CE2 3.34Å; D109-Y113 PolarHBondContact O-OH 3.41Å; A111-Y113 HydrophobicContact CB-CD2 4.3Å; A111-Y113 HydrophobicContact CB-CE2 3.8Å
114	Y	97.7	Very high	96.1	Very high	98 Å²	98	64.3 Å²	64.3	38%	0.384	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.9	-178.5	-60.9	-80.2	0	0	0	110.3	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.2Å; V56-Y114 PolarHBondContact N-O 3.33Å; V56-Y114 PolarHBondContact O-N 3.49Å; Q58-Y114 HydrophobicContact CB-CD2 4.49Å; Q58-Y114 HydrophobicContact CB-CE2 3.94Å; Q58-Y114 PolarHBondContact OE1-OH 3.13Å; V112-Y114 HydrophobicContact CB-CE2 3.94Å; V112-Y114 HydrophobicContact CG1-CD1 4.45Å; V112-Y114 HydrophobicContact CG1-CD2 4.25Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.58Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.2Å
115	C	98.1	Very high	96.1	Very high	13 Å²	13	63.2 Å²	63.2	9%	0.088	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	155.9	66.9	0	0	0	0	110.3	Q25 C41 I53 T54 W55	Q25-C115 VanDerWaalsContact CG-SG 3.56Å; C41-C115 HydrophobicContact CB-CB 3.45Å; C41-C115 VanDerWaalsContact CB-CB 3.45Å; C41-C115 WeakPolarHBondContact CB-SG 3.3Å; C41-C115 WeakPolarHBondContact SG-CB 3.28Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.9Å; I53-C115 HydrophobicContact CG2-CB 4.21Å; T54-C115 CarbonylContact O-C 3.59Å; T54-C115 VanDerWaalsContact O-CA 3.31Å; T54-C115 WeakPolarHBondContact O-CA 3.47Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.19Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.36Å; W55-C115 HydrophobicContact CZ3-CB 4.11Å
116	A	97.8	Very high	96	Very high	40 Å²	40	67.6 Å²	67.6	33%	0.331	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.7	178.7	0	0	0	0	0	110.7	I53 T54	I53-A116 CarbonylContact C-O 3.58Å; I53-A116 WeakPolarHBondContact CA-O 3.38Å; T54-A116 PolarHBondContact N-O 2.99Å; T54-A116 PolarHBondContact O-N 2.91Å
117	R	92.9	Very high	96	Very high	116 Å²	116	67.8 Å²	67.8	44%	0.438	38%	0.376	S	S	.	.			trans	-125.5	0	168.6	160.5	175.1	159.5	-121.4	-6	108.4	V21 L23 Y46 Y51 I53	V21-R117 VanDerWaalsContact CG1-NH1 3.28Å; V21-R117 VanDerWaalsContact CG2-NH1 3.26Å; L23-R117 HydrophobicContact CD1-CB 4.33Å; Y46-R117 VanDerWaalsContact CB-NH1 3.33Å; Y51-R117 HydrophobicContact CD1-CG 4.19Å; Y51-R117 VanDerWaalsContact CD2-NE 3.31Å; Y51-R117 HydrophobicContact CG-CG 4.15Å; Y51-R117 PolarHBondContact OH-NH2 3.18Å; I53-R117 HydrophobicContact CD1-CB 4.34Å

Retrieved 117 of 117 residues in 96.1 ms (Link to these results)

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