A0A075B5X3_MOUSE Loading...

Immunoglobulin heavy variable 1-64

AlphaFold DB , UniProt , Accession A0A075B5X3, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-64, Length 117 aa.

						>A0A075B5X3_MOUSE|A0A075B5X3|Ighv1-64
MGWSYIILFLVATATGVHSQVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGMIHPNSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAR
					

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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	47.7	Very low	60.6	Low	252 Å²	252	162.2 Å²	162.2	100%	1.241	83%	0.83	S	S	*	*				0	97.1	0	-62.4	176.4	-91.9	0	0	106.4
2	G	53.7	Low	61.1	Low	72 Å²	72	156.8 Å²	156.8	74%	0.742	83%	0.827	S	S	*	*			cis	133.6	77.2	17.2	0	0	0	0	0	107.5
3	W	54.2	Low	61.6	Low	237 Å²	237	153.1 Å²	153.1	90%	0.898	82%	0.815	S	S	*	*			trans	-147.9	95.1	160.1	-105	-18.2	0	0	0	110.7
4	S	61.2	Low	62.1	Low	114 Å²	114	149.4 Å²	149.4	80%	0.797	82%	0.817	S	S	*	*			trans	-74.1	118	167.7	-63.5	0	0	0	0	109.1	I6	S4-I6 PolarHBondContact O-N 3.36Å
5	Y	59.6	Low	62.2	Low	211 Å²	211	147.5 Å²	147.5	83%	0.827	81%	0.812	S	S	*	*			trans	-73.4	109.2	168.4	-66.1	-82.5	0	0	0	109.1
6	I	69.3	Low	62.3	Low	146 Å²	146	141.6 Å²	141.6	75%	0.749	80%	0.795	S	S	*	*			trans	-85.3	115.6	171.3	-67.9	170.5	0	0	0	107.8	S4	S4-I6 PolarHBondContact O-N 3.36Å
7	I	68.1	Low	62.6	Low	137 Å²	137	141.5 Å²	141.5	70%	0.703	80%	0.798	S	S	*	*			trans	-88.1	112	171	-58.9	174.8	0	0	0	107.7	F9	I7-F9 HydrophobicContact CG2-CD2 3.83Å; I7-F9 HydrophobicContact CG2-CE2 3.76Å
8	L	61.5	Low	62.7	Low	149 Å²	149	143.4 Å²	143.4	78%	0.78	80%	0.799	S	S	*	*			trans	-89.8	108.8	170.7	-102.2	144.7	0	0	0	109.1	L10	L8-L10 PolarHBondContact O-N 3.08Å
9	F	60.5	Low	63.6	Low	181 Å²	181	140.5 Å²	140.5	79%	0.794	79%	0.79	S	S	*	*			trans	-84.3	106.2	166.5	-89.9	-85.9	0	0	0	109.4	I7 V11	I7-F9 HydrophobicContact CG2-CD2 3.83Å; I7-F9 HydrophobicContact CG2-CE2 3.76Å; F9-V11 PolarHBondContact O-N 2.77Å
10	L	60.1	Low	65	Low	162 Å²	162	141.5 Å²	141.5	85%	0.848	79%	0.788	S	S	*	*			trans	-82.8	104.8	166.9	-82.3	161.4	0	0	0	108.8	L8 A12	L8-L10 PolarHBondContact O-N 3.08Å; L10-A12 PolarHBondContact O-N 3.48Å
11	V	70.2	Confident	66.4	Low	123 Å²	123	138 Å²	138	75%	0.745	77%	0.77	S	S	*	*			trans	-79.7	101.4	166.9	-179	0	0	0	0	107.6	F9 T13	F9-V11 PolarHBondContact O-N 2.77Å; V11-T13 HydrophobicContact CG1-CG2 4.28Å; V11-T13 PolarHBondContact O-N 2.9Å
12	A	67.3	Low	68.7	Low	97 Å²	97	130.2 Å²	130.2	80%	0.802	73%	0.73	S	S	*	*			trans	-76.1	101.4	168.4	0	0	0	0	0	108.7	L10 A14	L10-A12 PolarHBondContact O-N 3.48Å; A12-A14 PolarHBondContact O-N 3.03Å; A12-A14 VanDerWaalsContact O-N 3.15Å
13	T	67.3	Low	70.8	Confident	109 Å²	109	129.2 Å²	129.2	67%	0.669	71%	0.708	S	S	*	*			trans	-74	101.6	169.1	46.6	0	0	0	0	108.6	V11 T15	V11-T13 HydrophobicContact CG1-CG2 4.28Å; V11-T13 PolarHBondContact O-N 2.9Å; T13-T15 VanDerWaalsContact C-N 3.3Å; T13-T15 PolarHBondContact O-N 3.31Å
14	A	68.3	Low	72.9	Confident	102 Å²	102	123 Å²	123	84%	0.843	69%	0.689	S	S	*	*			trans	-69.2	91.3	166.9	0	0	0	0	0	108.4	A12 G16	A12-A14 PolarHBondContact O-N 3.03Å; A12-A14 VanDerWaalsContact O-N 3.15Å; A14-G16 PolarHBondContact O-N 3.22Å
15	T	64.7	Low	74.6	Confident	120 Å²	120	119.8 Å²	119.8	74%	0.736	66%	0.661	S	S	*	*			trans	-76.7	79.9	172.2	57.4	0	0	0	0	108.8	T13 V17	T13-T15 VanDerWaalsContact C-N 3.3Å; T13-T15 PolarHBondContact O-N 3.31Å; T15-V17 PolarHBondContact O-N 3.24Å
16	G	63	Low	76.3	Confident	53 Å²	53	113 Å²	113	55%	0.546	64%	0.643	S	S	.	*			trans	-64.7	115.8	161.5	0	0	0	0	0	108.6	A14 H18	A14-G16 PolarHBondContact O-N 3.22Å; G16-H18 VanDerWaalsContact C-N 3.31Å; G16-H18 PolarHBondContact O-N 3.43Å
17	V	66.9	Low	77.4	Confident	140 Å²	140	109.1 Å²	109.1	85%	0.848	64%	0.639	S	S	*	*			trans	-75.9	87.9	174.6	-176.4	0	0	0	0	108	T15	T15-V17 PolarHBondContact O-N 3.24Å
18	H	65.5	Low	78.6	Confident	176 Å²	176	107.8 Å²	107.8	82%	0.815	65%	0.649	S	S	*	*			trans	-79.4	118.9	166.2	-68.4	-69.6	0	0	0	108.5	G16 Q20	G16-H18 VanDerWaalsContact C-N 3.31Å; G16-H18 PolarHBondContact O-N 3.43Å; H18-Q20 PolarHBondContact O-N 3.19Å
19	S	78.8	Confident	80.1	Confident	89 Å²	89	105 Å²	105	62%	0.622	63%	0.632	S	S	*	*			trans	-76.4	110.4	172.5	-150.3	0	0	0	0	109	G45	S19-G45 WeakPolarHBondContact OG-CA 2.9Å
20	Q	91.6	Very high	81.8	Confident	160 Å²	160	105 Å²	105	75%	0.748	64%	0.639	S	S	*	*			trans	-79.7	126.5	175.4	-174.2	177.7	21.2	0	0	109.6	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 3.19Å; Q20-Q22 PolarHBondContact O-N 3.43Å; Q20-G45 WeakPolarHBondContact O-CA 3.47Å
21	V	94.3	Very high	83.4	Confident	67 Å²	67	100.5 Å²	100.5	41%	0.406	62%	0.618	S	S	.	*			trans	-67.5	125.2	172.3	177.3	0	0	0	0	109	Y46	V21-Y46 HydrophobicContact CG1-CD1 3.92Å; V21-Y46 HydrophobicContact CG1-CE1 4.11Å; V21-Y46 HydrophobicContact CG2-CD1 4.49Å
22	Q	96.8	Very high	84.6	Confident	90 Å²	90	102.8 Å²	102.8	42%	0.421	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.6	137.7	177.7	-177.3	179.4	-7.7	0	0	110.5	Q20 S44	Q20-Q22 PolarHBondContact O-N 3.43Å; Q22-S44 PolarHBondContact N-O 2.79Å; Q22-S44 PolarHBondContact O-N 3.25Å
23	L	97.8	Very high	86	Confident	50 Å²	50	103.6 Å²	103.6	26%	0.262	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.5	117.8	170	-62.3	-176.7	0	0	0	108	K42 A43 Y46 M53 R117	L23-K42 WeakPolarHBondContact CA-O 3.4Å; L23-A43 HydrophobicContact CD2-CB 3.87Å; L23-Y46 HydrophobicContact CD2-CE1 4.15Å; L23-M53 HydrophobicContact CD1-CE 4.44Å; L23-M53 HydrophobicContact CD1-SD 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.74Å; L23-R117 HydrophobicContact CD1-CB 4.41Å
24	Q	97.8	Very high	87.4	Confident	108 Å²	108	101 Å²	101	51%	0.505	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.1	121.1	-177.3	-173.8	63.6	59.3	0	0	110.6	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.46Å; Q24-K42 PolarHBondContact N-O 3.01Å; Q24-K42 PolarHBondContact O-N 3.08Å
25	Q	97.9	Very high	88.7	Confident	45 Å²	45	97.9 Å²	97.9	21%	0.21	58%	0.584	C	S	.	*			trans	-107	152.5	170.5	-65.5	-177.5	-106.8	0	0	110.1	C41 Y113 C115	Q25-C41 HydrophobicContact CG-CB 4.2Å; Q25-Y113 PolarHBondContact NE2-O 2.87Å; Q25-Y113 PolarHBondContact OE1-O 3.17Å; Q25-C115 VanDerWaalsContact CG-SG 3.56Å; Q25-C115 PolarHBondContact OE1-SG 3.3Å
26	P	93.9	Very high	90.3	Very high	68 Å²	68	95.3 Å²	95.3	44%	0.442	57%	0.571	S	S	.	*			trans	-66.5	172.3	171	30	-34.4	0	0	0	111.2	S40	P26-S40 WeakPolarHBondContact CD-O 3.43Å
27	G	93.2	Very high	91.9	Very high	66 Å²	66	93.4 Å²	93.4	68%	0.68	55%	0.549	S	S	*	.			trans	-67.1	-173.4	175	0	0	0	0	0	113.4
28	A	94.2	Very high	93.4	Very high	109 Å²	109	91.8 Å²	91.8	90%	0.901	53%	0.53	S	S	*	.			trans	-63.3	141.1	-179.6	0	0	0	0	0	112.3
29	E	92.9	Very high	94.9	Very high	91 Å²	91	84.4 Å²	84.4	43%	0.425	50%	0.497	S	S	.	.			trans	-112	130.3	173.4	-66	-167.6	-146.5	0	0	110.1	V37	E29-V37 HydrophobicContact CB-CG2 4.2Å; E29-V37 HydrophobicContact CG-CG2 4.49Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.35Å
30	L	94.8	Very high	95.8	Very high	181 Å²	181	81.7 Å²	81.7	95%	0.948	48%	0.478	S	S	*	.			trans	-101.3	121.3	172.1	-69.3	174.2	0	0	0	108.9
31	V	94.7	Very high	96.1	Very high	67 Å²	67	74.1 Å²	74.1	41%	0.406	44%	0.442	S	S	.	.			trans	-130.6	146.1	-173.4	-65.6	0	0	0	0	110.6	V37 L105	V31-V37 HydrophobicContact CG1-CB 4.18Å; V31-V37 HydrophobicContact CG1-CG2 3.98Å; V31-L105 HydrophobicContact CB-CD1 4.32Å; V31-L105 HydrophobicContact CG2-CD1 3.52Å
32	K	95.4	Very high	96.3	Very high	170 Å²	170	76.6 Å²	76.6	74%	0.739	45%	0.448	S	S	*	.			trans	-75.4	148.2	176.3	-66.1	-179.4	-179.7	178.8	0	110.1	G34 A35	K32-G34 PolarHBondContact O-N 2.87Å; K32-A35 WeakPolarHBondContact O-CB 3.15Å; K32-A35 PolarHBondContact O-N 2.88Å; K32-A35 VanDerWaalsContact O-N 3.08Å
33	P	95.3	Very high	96.4	Very high	114 Å²	114	72.6 Å²	72.6	74%	0.74	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	140.3	168.5	-25.1	34.5	0	0	0	111.6	A35 L105	P33-A35 PolarHBondContact O-N 2.83Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.28Å
34	G	96.7	Very high	96.4	Very high	54 Å²	54	72.7 Å²	72.7	56%	0.557	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-14.4	-175.2	0	0	0	0	0	114.9	K32 L105	K32-G34 PolarHBondContact O-N 2.87Å; G34-L105 PolarHBondContact N-O 2.96Å
35	A	97.4	Very high	96.3	Very high	37 Å²	37	68.8 Å²	68.8	31%	0.306	42%	0.423	S	S	.	.			trans	-72.1	169.5	176.4	0	0	0	0	0	112.1	K32 P33 S104 L105	K32-A35 WeakPolarHBondContact O-CB 3.15Å; K32-A35 PolarHBondContact O-N 2.88Å; K32-A35 VanDerWaalsContact O-N 3.08Å; P33-A35 PolarHBondContact O-N 2.83Å; A35-S104 PolarHBondContact O-N 2.56Å; A35-L105 WeakPolarHBondContact O-CG 3.4Å; A35-L105 PolarHBondContact O-N 2.84Å
36	S	97	Very high	96.1	Very high	67 Å²	67	68.6 Å²	68.6	47%	0.469	42%	0.421	S	S	.	.			trans	-110.8	151.6	169.9	-56.5	0	0	0	0	110.3	L102 S103	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.42Å; S36-L102 WeakPolarHBondContact CB-O 3.47Å; S36-S103 WeakPolarHBondContact OG-CA 3.47Å
37	V	97.3	Very high	96.2	Very high	13 Å²	13	69.4 Å²	69.4	8%	0.079	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.5	176.6	76.6	0	0	0	0	109.8	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 4.2Å; E29-V37 HydrophobicContact CG-CG2 4.49Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.35Å; V31-V37 HydrophobicContact CG1-CB 4.18Å; V31-V37 HydrophobicContact CG1-CG2 3.98Å; V37-L39 HydrophobicContact CG1-CD2 4.34Å; V37-L39 HydrophobicContact CG1-CG 4.42Å; V37-L39 HydrophobicContact CG2-CD2 4.07Å; V37-Q101 CarbonylContact O-C 3.44Å; V37-Q101 VanDerWaalsContact O-CA 3.27Å; V37-Q101 WeakPolarHBondContact O-CA 3.29Å; V37-L102 HydrophobicContact CG1-CB 4.06Å; V37-L102 HydrophobicContact CG1-CD1 4.33Å; V37-L102 PolarHBondContact N-O 2.97Å; V37-L102 PolarHBondContact O-N 2.88Å; V37-L105 HydrophobicContact CB-CD1 3.89Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å
38	K	97.3	Very high	96.4	Very high	106 Å²	106	66.6 Å²	66.6	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	98.1	177	-173.1	179	-178.5	179.5	0	110.2	Y99 Q101	K38-Y99 HydrophobicContact CD-CD1 4.34Å; K38-Y99 HydrophobicContact CG-CD1 4.26Å; K38-Q101 HydrophobicContact CG-CB 4.48Å
39	L	97.7	Very high	96.6	Very high	20 Å²	20	63.5 Å²	63.5	11%	0.105	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144	176.9	-52.6	-177	0	0	0	110	V37 W55 Y99 M100 Y113	V37-L39 HydrophobicContact CG1-CD2 4.34Å; V37-L39 HydrophobicContact CG1-CG 4.42Å; V37-L39 HydrophobicContact CG2-CD2 4.07Å; L39-W55 HydrophobicContact CB-CH2 3.99Å; L39-W55 HydrophobicContact CB-CZ3 3.89Å; L39-W55 HydrophobicContact CD1-CZ3 4.36Å; L39-Y99 CarbonylContact O-C 3.51Å; L39-Y99 WeakPolarHBondContact O-CA 3.14Å; L39-M100 HydrophobicContact CD1-CE 3.69Å; L39-M100 PolarHBondContact N-O 3.37Å; L39-M100 PolarHBondContact O-N 2.98Å; L39-Y113 HydrophobicContact CD1-CD1 4.3Å; L39-Y113 HydrophobicContact CD1-CD2 4.09Å; L39-Y113 HydrophobicContact CD1-CG 3.72Å
40	S	98.2	Very high	96.8	Very high	33 Å²	33	62.6 Å²	62.6	23%	0.231	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.5	176	62.3	0	0	0	0	111.1	P26 A98 Y99	P26-S40 WeakPolarHBondContact CD-O 3.43Å; S40-A98 CarbonylContact C-O 3.54Å; S40-Y99 VanDerWaalsContact CB-CE1 3.42Å
41	C	98.4	Very high	96.9	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	105.2	175.6	177.8	0	0	0	0	109	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.46Å; Q25-C41 HydrophobicContact CG-CB 4.2Å; C41-W55 HydrophobicContact CB-CH2 3.87Å; C41-W55 HydrophobicContact CB-CZ2 4.03Å; C41-T97 WeakPolarHBondContact O-CA 3.39Å; C41-A98 PolarHBondContact N-O 2.68Å; C41-A98 PolarHBondContact O-N 2.77Å; C41-C115 HydrophobicContact CB-CB 3.45Å; C41-C115 VanDerWaalsContact CB-CB 3.45Å; C41-C115 WeakPolarHBondContact CB-SG 3.46Å; C41-C115 WeakPolarHBondContact SG-CB 3.42Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.04Å
42	K	98.3	Very high	97.1	Very high	119 Å²	119	60.1 Å²	60.1	52%	0.517	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.9	179.6	-174.9	174.6	-177.9	178.2	0	110	L23 Q24	L23-K42 WeakPolarHBondContact CA-O 3.4Å; Q24-K42 PolarHBondContact N-O 3.01Å; Q24-K42 PolarHBondContact O-N 3.08Å
43	A	98.1	Very high	97.2	Very high	6 Å²	6	52 Å²	52	5%	0.05	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.4	-179.3	0	0	0	0	0	111.9	L23 Y46 F48 S96	L23-A43 HydrophobicContact CD2-CB 3.87Å; A43-Y46 HydrophobicContact CB-CE1 3.58Å; A43-Y46 VanDerWaalsContact CB-OH 3.29Å; A43-Y46 WeakPolarHBondContact CB-OH 3.13Å; A43-F48 HydrophobicContact CB-CB 4.37Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 4Å; A43-F48 HydrophobicContact CB-CG 4.15Å; A43-S96 PolarHBondContact N-O 3.3Å; A43-S96 WeakPolarHBondContact O-CB 3.43Å
44	S	97	Very high	97.4	Very high	53 Å²	53	49 Å²	49	37%	0.371	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.5	171	55.3	0	0	0	0	111.8	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.79Å; Q22-S44 PolarHBondContact O-N 3.25Å; S44-Y46 WeakPolarHBondContact O-CD1 3.22Å
45	G	95.7	Very high	97.5	Very high	25 Å²	25	46.5 Å²	46.5	26%	0.258	25%	0.254	S	S	.	.	S	Bend	trans	83.1	13.4	178	0	0	0	0	0	115.6	S19 Q20	S19-G45 WeakPolarHBondContact OG-CA 2.9Å; Q20-G45 WeakPolarHBondContact O-CA 3.47Å
46	Y	94.6	Very high	97.5	Very high	42 Å²	42	45.9 Å²	45.9	17%	0.165	25%	0.246	C	C	.	.	S	Bend	trans	-161.2	168.2	174.2	70.4	-81	0	0	0	111.8	V21 L23 A43 S44 F48 Y51 R117	V21-Y46 HydrophobicContact CG1-CD1 3.92Å; V21-Y46 HydrophobicContact CG1-CE1 4.11Å; V21-Y46 HydrophobicContact CG2-CD1 4.49Å; L23-Y46 HydrophobicContact CD2-CE1 4.15Å; A43-Y46 HydrophobicContact CB-CE1 3.58Å; A43-Y46 VanDerWaalsContact CB-OH 3.29Å; A43-Y46 WeakPolarHBondContact CB-OH 3.13Å; S44-Y46 WeakPolarHBondContact O-CD1 3.22Å; Y46-F48 VanDerWaalsContact CE2-CA 3.47Å; Y46-F48 HydrophobicContact CE2-CB 4.43Å; Y46-F48 HydrophobicContact CE2-CD2 4.44Å; Y46-F48 PolarHBondContact O-N 2.83Å; Y46-Y51 AromaticContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CE2 4.01Å; Y46-Y51 HydrophobicContact CD2-CG 4.4Å; Y46-Y51 AromaticContact CE2-CD2 3.86Å; Y46-Y51 HydrophobicContact CE2-CD2 3.86Å; Y46-Y51 HydrophobicContact CE2-CG 4.33Å; Y46-R117 HydrophobicContact CE2-CG 4.1Å
47	T	96.1	Very high	97.5	Very high	85 Å²	85	42.8 Å²	42.8	52%	0.521	22%	0.224	S	C	.	.			trans	-70.3	93.7	171.1	-50.1	0	0	0	0	110	T49 S50	T47-T49 PolarHBondContact O-N 2.98Å; T47-T49 VanDerWaalsContact O-N 3.14Å; T47-S50 WeakPolarHBondContact CB-OG 3.27Å; T47-S50 WeakPolarHBondContact CG2-OG 3.34Å; T47-S50 WeakPolarHBondContact O-CB 3.36Å; T47-S50 PolarHBondContact O-N 2.87Å
48	F	97.3	Very high	97.5	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.026	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-50.9	-39.6	-176	172.9	-120.8	0	0	0	113.6	A43 Y46 S50 M53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.37Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 4Å; A43-F48 HydrophobicContact CB-CG 4.15Å; Y46-F48 VanDerWaalsContact CE2-CA 3.47Å; Y46-F48 HydrophobicContact CE2-CB 4.43Å; Y46-F48 HydrophobicContact CE2-CD2 4.44Å; Y46-F48 PolarHBondContact O-N 2.83Å; F48-S50 PolarHBondContact O-N 3.28Å; F48-M53 HydrophobicContact CE2-CE 3.92Å; F48-P72 HydrophobicContact CD1-CB 3.93Å; F48-P72 HydrophobicContact CD2-CB 4.45Å; F48-P72 HydrophobicContact CD2-CG 4.17Å; F48-P72 HydrophobicContact CE1-CB 3.57Å; F48-P72 HydrophobicContact CE1-CG 4.13Å; F48-P72 HydrophobicContact CE2-CB 4.11Å; F48-P72 HydrophobicContact CE2-CG 3.72Å; F48-P72 HydrophobicContact CG-CB 4.38Å; F48-P72 HydrophobicContact CZ-CB 3.67Å; F48-P72 HydrophobicContact CZ-CG 3.71Å; F48-V91 HydrophobicContact CE1-CG1 3.66Å; F48-V91 HydrophobicContact CZ-CG1 4.02Å; F48-V91 HydrophobicContact CZ-CG2 4.3Å; F48-S96 VanDerWaalsContact CD1-CA 3.45Å; F48-A98 HydrophobicContact CE2-CB 4.46Å; F48-A98 HydrophobicContact CZ-CB 4.17Å
49	T	97.9	Very high	97.5	Very high	45 Å²	45	42.8 Å²	42.8	28%	0.276	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-69.7	-13.5	179.9	51.4	0	0	0	0	114.4	T47 N73 K93	T47-T49 PolarHBondContact O-N 2.98Å; T47-T49 VanDerWaalsContact O-N 3.14Å; T49-N73 VanDerWaalsContact O-CB 3.26Å; T49-N73 WeakPolarHBondContact O-CB 3.49Å; T49-K93 HydrophobicContact CG2-CD 4.44Å
50	S	97.2	Very high	97.3	Very high	72 Å²	72	47.3 Å²	47.3	50%	0.503	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-89.8	-3.4	-176.7	-59.4	0	0	0	0	114.7	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.27Å; T47-S50 WeakPolarHBondContact CG2-OG 3.34Å; T47-S50 WeakPolarHBondContact O-CB 3.36Å; T47-S50 PolarHBondContact O-N 2.87Å; F48-S50 PolarHBondContact O-N 3.28Å
51	Y	97.1	Very high	97.1	Very high	106 Å²	106	50.2 Å²	50.2	42%	0.416	29%	0.289	S	S	.	.	S	Bend	trans	-137.4	146.5	-174.3	-63.3	-94.9	0	0	0	112	Y46 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CE2 4.01Å; Y46-Y51 HydrophobicContact CD2-CG 4.4Å; Y46-Y51 AromaticContact CE2-CD2 3.86Å; Y46-Y51 HydrophobicContact CE2-CD2 3.86Å; Y46-Y51 HydrophobicContact CE2-CG 4.33Å; Y51-P72 WeakPolarHBondContact O-CD 3.47Å; Y51-P72 WeakPolarHBondContact O-CG 3.2Å; Y51-R117 HydrophobicContact CD1-CG 4.11Å; Y51-R117 HydrophobicContact CG-CG 3.83Å
52	W	98.4	Very high	97	Very high	89 Å²	89	55.3 Å²	55.3	34%	0.337	31%	0.312	S	S	.	.			trans	-67.2	145.2	172.7	-68.3	86.5	0	0	0	111.2	M69 H71 S76	W52-M69 HydrophobicContact CB-CE 4.12Å; W52-M69 HydrophobicContact CD2-CE 3.24Å; W52-M69 HydrophobicContact CE3-CB 4.17Å; W52-M69 HydrophobicContact CE3-CE 3.24Å; W52-M69 HydrophobicContact CE3-CG 3.76Å; W52-M69 HydrophobicContact CE3-SD 4.35Å; W52-M69 HydrophobicContact CG-CE 3.64Å; W52-M69 HydrophobicContact CH2-CE 4.19Å; W52-M69 HydrophobicContact CZ2-CE 4.21Å; W52-M69 HydrophobicContact CZ3-CE 3.73Å; W52-M69 HydrophobicContact CZ3-CG 4.04Å; W52-H71 HydrophobicContact CD2-CB 3.68Å; W52-H71 AromaticContact CE2-CD2 3.98Å; W52-H71 AromaticContact CE2-CG 3.96Å; W52-H71 HydrophobicContact CE3-CB 3.55Å; W52-H71 HydrophobicContact CH2-CB 3.56Å; W52-H71 HydrophobicContact CZ2-CB 3.67Å; W52-H71 HydrophobicContact CZ3-CB 3.5Å; W52-H71 VanDerWaalsContact CZ3-N 3.3Å; W52-H71 AromaticContact NE1-CD2 3.95Å; W52-S76 VanDerWaalsContact CZ3-O 3.23Å; W52-S76 WeakPolarHBondContact CZ3-O 3.43Å
53	M	98.5	Very high	96.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.6	169	-175.1	63.3	64.8	0	0	109	L23 F48 M69 I70 A98 C115	L23-M53 HydrophobicContact CD1-CE 4.44Å; L23-M53 HydrophobicContact CD1-SD 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.74Å; F48-M53 HydrophobicContact CE2-CE 3.92Å; M53-M69 CarbonylContact O-C 3.51Å; M53-M69 WeakPolarHBondContact O-CA 3.32Å; M53-I70 HydrophobicContact CB-CG2 4.04Å; M53-I70 PolarHBondContact N-O 2.81Å; M53-I70 PolarHBondContact O-N 2.89Å; M53-A98 HydrophobicContact CB-CB 4.11Å; M53-A98 HydrophobicContact CE-CB 4.49Å; M53-A98 HydrophobicContact CG-CB 3.64Å; M53-C115 HydrophobicContact SD-CB 3.74Å
54	H	98.6	Very high	96.7	Very high	52 Å²	52	57.8 Å²	57.8	24%	0.241	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.6	177.2	-65	-103.6	0	0	0	110.5	W66 C115 A116	H54-W66 AromaticContact ND1-NE1 3.39Å; H54-W66 PolarHBondContact ND1-NE1 3.16Å; H54-C115 CarbonylContact O-C 3.58Å; H54-C115 VanDerWaalsContact O-CA 3.29Å; H54-C115 WeakPolarHBondContact O-CA 3.47Å; H54-A116 HydrophobicContact CB-CB 4.39Å; H54-A116 PolarHBondContact N-O 3.32Å; H54-A116 PolarHBondContact O-N 3.49Å
55	W	98.7	Very high	96.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.7	171.9	-69.6	89.8	0	0	0	110.2	L39 C41 I67 G68 L89 A98 M100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 3.99Å; L39-W55 HydrophobicContact CB-CZ3 3.89Å; L39-W55 HydrophobicContact CD1-CZ3 4.36Å; C41-W55 HydrophobicContact CB-CH2 3.87Å; C41-W55 HydrophobicContact CB-CZ2 4.03Å; W55-I67 HydrophobicContact CB-CB 4.21Å; W55-I67 HydrophobicContact CB-CD1 4.35Å; W55-I67 WeakPolarHBondContact O-CB 3.07Å; W55-I67 PolarHBondContact O-N 2.93Å; W55-G68 PolarHBondContact N-O 2.83Å; W55-L89 HydrophobicContact CG-CD2 4.09Å; W55-A98 HydrophobicContact CZ2-CB 4.41Å; W55-M100 HydrophobicContact CB-CE 4.48Å; W55-M100 HydrophobicContact CB-SD 3.78Å; W55-M100 HydrophobicContact CD2-CB 3.61Å; W55-M100 HydrophobicContact CD2-CE 4.16Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 4Å; W55-M100 HydrophobicContact CE3-CB 3.87Å; W55-M100 HydrophobicContact CE3-CE 3.63Å; W55-M100 HydrophobicContact CE3-SD 4.11Å; W55-M100 HydrophobicContact CG-CB 4.13Å; W55-M100 HydrophobicContact CG-SD 3.89Å; W55-M100 HydrophobicContact CH2-CB 4.03Å; W55-M100 HydrophobicContact CZ2-CB 3.8Å; W55-M100 HydrophobicContact CZ3-CB 4.06Å; W55-M100 HydrophobicContact CZ3-CE 4.2Å; W55-Y114 WeakPolarHBondContact CA-O 3.17Å; W55-C115 HydrophobicContact CD2-CB 4.47Å; W55-C115 HydrophobicContact CE3-CB 4.28Å; W55-C115 HydrophobicContact CH2-CB 4.33Å; W55-C115 HydrophobicContact CZ2-CB 4.48Å; W55-C115 HydrophobicContact CZ3-CB 4.22Å
56	V	98.3	Very high	96.8	Very high	25 Å²	25	59.6 Å²	59.6	15%	0.152	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.3	-174.4	-173.8	0	0	0	0	109.7	L64 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.85Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-Y113 WeakPolarHBondContact O-CA 3.21Å; V56-Y114 PolarHBondContact N-O 3.44Å; V56-Y114 PolarHBondContact O-N 3.28Å
57	K	97.5	Very high	97	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.9	175.9	-174.3	178.2	-178.6	178.1	0	110.2	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.45Å; K57-E65 PolarHBondContact N-O 3.23Å; K57-E65 PolarHBondContact O-N 3.42Å; K57-I67 HydrophobicContact CB-CD1 4.02Å; K57-I67 HydrophobicContact CB-CG1 4.14Å; K57-F83 HydrophobicContact CD-CE1 4.03Å; K57-F83 HydrophobicContact CD-CZ 4.04Å; K57-E108 WeakPolarHBondContact CE-O 3.23Å; K57-E108 PolarHBondContact NZ-O 2.93Å; K57-D109 IonicContact NZ-OD1 3.63Å; K57-D109 PolarHBondContact NZ-OD1 3.28Å; K57-D109 VanDerWaalsContact NZ-OD1 3.08Å; K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.55Å; K57-Y113 HydrophobicContact CB-CD1 4.23Å; K57-Y113 HydrophobicContact CB-CE1 4Å; K57-Y113 HydrophobicContact CD-CE1 4.02Å; K57-Y113 HydrophobicContact CG-CD1 4.32Å; K57-Y113 HydrophobicContact CG-CE1 3.79Å
58	Q	97.5	Very high	97.1	Very high	70 Å²	70	53.5 Å²	53.5	33%	0.327	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	113.7	169.7	-166.8	-178.4	22.3	0	0	110.4	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.86Å; Q58-L64 HydrophobicContact CG-CD2 4.01Å; Q58-A111 CarbonylContact O-C 3.56Å; Q58-A111 WeakPolarHBondContact O-CA 3.35Å; Q58-A111 VanDerWaalsContact O-CB 3.27Å; Q58-A111 WeakPolarHBondContact O-CB 3.35Å; Q58-V112 PolarHBondContact N-O 2.94Å; Q58-V112 PolarHBondContact O-N 3.15Å; Q58-Y114 HydrophobicContact CB-CD2 4.46Å; Q58-Y114 HydrophobicContact CB-CE2 3.9Å; Q58-Y114 PolarHBondContact OE1-OH 2.98Å
59	R	95.4	Very high	97.2	Very high	50 Å²	50	54.9 Å²	54.9	19%	0.189	31%	0.311	C	S	.	.			trans	-85.7	151.5	171.7	-62.1	-173.9	-169.3	85.6	-2.6	110.3	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.79Å; R59-Q62 HydrophobicContact CB-CB 4.03Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.89Å; R59-E65 IonicContact CZ-OE2 3Å; R59-E65 IonicContact NH1-OE2 3.22Å; R59-E65 PolarHBondContact NH1-OE2 2.62Å; R59-E65 IonicContact NH2-OE2 2.84Å; R59-E108 PolarHBondContact NE-O 3.26Å; R59-A111 HydrophobicContact CG-CB 4.15Å
60	P	94.5	Very high	97.2	Very high	114 Å²	114	53 Å²	53	74%	0.74	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	126.4	172.8	-25.2	34.5	0	0	0	111.4	Q62	P60-Q62 PolarHBondContact O-N 3.4Å
61	G	95.1	Very high	97.3	Very high	94 Å²	94	51.2 Å²	51.2	97%	0.969	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	7	-180	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 2.79Å
62	Q	94.3	Very high	97.4	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	26%	0.263	S	S	.	.	S	Bend	trans	-116.7	163.7	177	-56.9	-173.9	16.6	0	0	111.9	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.03Å; R59-Q62 HydrophobicContact CB-CG 4.05Å; R59-Q62 PolarHBondContact O-N 2.89Å; P60-Q62 PolarHBondContact O-N 3.4Å
63	G	93.8	Very high	97.4	Very high	60 Å²	60	46.2 Å²	46.2	62%	0.619	27%	0.27	S	S	*	.			trans	-68.6	176.1	173.8	0	0	0	0	0	113.6
64	L	97.1	Very high	97.3	Very high	118 Å²	118	49.5 Å²	49.5	62%	0.618	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.2	172.7	-65.9	172.6	0	0	0	110.3	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.85Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; Q58-L64 HydrophobicContact CB-CD2 3.86Å; Q58-L64 HydrophobicContact CG-CD2 4.01Å
65	E	97.7	Very high	97.3	Very high	32 Å²	32	49 Å²	49	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.5	176.7	-171.2	169.2	-150.7	0	0	109.2	K57 R59 K82 F83	K57-E65 HydrophobicContact CB-CB 4.45Å; K57-E65 PolarHBondContact N-O 3.23Å; K57-E65 PolarHBondContact O-N 3.42Å; R59-E65 IonicContact CZ-OE2 3Å; R59-E65 IonicContact NH1-OE2 3.22Å; R59-E65 PolarHBondContact NH1-OE2 2.62Å; R59-E65 IonicContact NH2-OE2 2.84Å; E65-K82 VanDerWaalsContact OE1-CD 3.28Å; E65-K82 WeakPolarHBondContact OE1-CD 3Å; E65-K82 IonicContact OE1-NZ 2.83Å; E65-K82 PolarHBondContact OE1-NZ 2.64Å; E65-F83 HydrophobicContact CG-CE2 3.76Å; E65-F83 HydrophobicContact CG-CZ 4.04Å
66	W	98.2	Very high	97.3	Very high	83 Å²	83	51.8 Å²	51.8	31%	0.314	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.7	178.6	-178.1	75.7	0	0	0	110.5	H54 G68 M69 N78 Y79 N80	H54-W66 AromaticContact ND1-NE1 3.39Å; H54-W66 PolarHBondContact ND1-NE1 3.16Å; W66-G68 VanDerWaalsContact CE2-C 3.49Å; W66-G68 PolarHBondContact NE1-O 2.81Å; W66-G68 VanDerWaalsContact NE1-O 3.16Å; W66-M69 HydrophobicContact CH2-CG 4.45Å; W66-M69 HydrophobicContact CH2-SD 4.47Å; W66-M69 HydrophobicContact CZ2-CB 3.93Å; W66-M69 HydrophobicContact CZ2-CG 3.74Å; W66-M69 HydrophobicContact CZ2-SD 3.79Å; W66-N78 HydrophobicContact CH2-CB 4.33Å; W66-Y79 VanDerWaalsContact CZ3-C 3.5Å; W66-N80 HydrophobicContact CE3-CB 3.84Å; W66-N80 HydrophobicContact CZ3-CB 4.06Å; W66-N80 VanDerWaalsContact CZ3-N 3.28Å; W66-N80 WeakPolarHBondContact O-CB 3.42Å; W66-N80 PolarHBondContact O-ND2 2.94Å
67	I	98.4	Very high	97.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-48.7	-177.8	-59.2	174	0	0	0	110.3	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.21Å; W55-I67 HydrophobicContact CB-CD1 4.35Å; W55-I67 WeakPolarHBondContact O-CB 3.07Å; W55-I67 PolarHBondContact O-N 2.93Å; K57-I67 HydrophobicContact CB-CD1 4.02Å; K57-I67 HydrophobicContact CB-CG1 4.14Å; I67-N80 PolarHBondContact O-N 3.36Å; I67-F83 HydrophobicContact CB-CD2 4.41Å; I67-F83 HydrophobicContact CB-CG 4.31Å; I67-F83 HydrophobicContact CG1-CD1 4.26Å; I67-F83 HydrophobicContact CG1-CD2 4.39Å; I67-F83 HydrophobicContact CG1-CE1 4.21Å; I67-F83 HydrophobicContact CG1-CE2 4.34Å; I67-F83 HydrophobicContact CG1-CG 4.34Å; I67-F83 HydrophobicContact CG1-CZ 4.25Å; I67-F83 HydrophobicContact CG2-CB 3.74Å; I67-F83 HydrophobicContact CG2-CD1 4.08Å; I67-F83 HydrophobicContact CG2-CD2 4.36Å; I67-F83 HydrophobicContact CG2-CG 3.81Å; I67-A87 HydrophobicContact CG2-CB 3.82Å; I67-M100 HydrophobicContact CB-SD 4.45Å; I67-M100 HydrophobicContact CD1-CE 3.75Å; I67-M100 HydrophobicContact CD1-SD 3.63Å; I67-M100 HydrophobicContact CG2-SD 3.83Å; I67-Y113 HydrophobicContact CD1-CD1 3.68Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å
68	G	98.5	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	178.1	-171	0	0	0	0	0	112.6	W55 W66 N78	W55-G68 PolarHBondContact N-O 2.83Å; W66-G68 VanDerWaalsContact CE2-C 3.49Å; W66-G68 PolarHBondContact NE1-O 2.81Å; W66-G68 VanDerWaalsContact NE1-O 3.16Å; G68-N78 CarbonylContact C-O 3.59Å; G68-N78 WeakPolarHBondContact CA-O 3.4Å
69	M	98.7	Very high	97.4	Very high	35 Å²	35	56.5 Å²	56.5	17%	0.172	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.6	175.3	64.7	-161	-98.5	0	0	111	W52 M53 W66 T77 N78	W52-M69 HydrophobicContact CB-CE 4.12Å; W52-M69 HydrophobicContact CD2-CE 3.24Å; W52-M69 HydrophobicContact CE3-CB 4.17Å; W52-M69 HydrophobicContact CE3-CE 3.24Å; W52-M69 HydrophobicContact CE3-CG 3.76Å; W52-M69 HydrophobicContact CE3-SD 4.35Å; W52-M69 HydrophobicContact CG-CE 3.64Å; W52-M69 HydrophobicContact CH2-CE 4.19Å; W52-M69 HydrophobicContact CZ2-CE 4.21Å; W52-M69 HydrophobicContact CZ3-CE 3.73Å; W52-M69 HydrophobicContact CZ3-CG 4.04Å; M53-M69 CarbonylContact O-C 3.51Å; M53-M69 WeakPolarHBondContact O-CA 3.32Å; W66-M69 HydrophobicContact CH2-CG 4.45Å; W66-M69 HydrophobicContact CH2-SD 4.47Å; W66-M69 HydrophobicContact CZ2-CB 3.93Å; W66-M69 HydrophobicContact CZ2-CG 3.74Å; W66-M69 HydrophobicContact CZ2-SD 3.79Å; M69-T77 VanDerWaalsContact O-CA 3.28Å; M69-T77 WeakPolarHBondContact O-CA 3.36Å; M69-N78 HydrophobicContact CG-CB 4.06Å; M69-N78 PolarHBondContact N-O 3.46Å; M69-N78 PolarHBondContact O-N 2.86Å
70	I	98.7	Very high	97.5	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.7	174	-175.8	160	0	0	0	110.1	M53 P72 S76 T77 L89 V91	M53-I70 HydrophobicContact CB-CG2 4.04Å; M53-I70 PolarHBondContact N-O 2.81Å; M53-I70 PolarHBondContact O-N 2.89Å; I70-P72 WeakPolarHBondContact O-CD 3.38Å; I70-S76 CarbonylContact C-O 3.6Å; I70-S76 WeakPolarHBondContact CA-O 3.42Å; I70-T77 HydrophobicContact CB-CG2 4.06Å; I70-T77 HydrophobicContact CD1-CG2 3.77Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; I70-L89 HydrophobicContact CB-CB 4.03Å; I70-L89 HydrophobicContact CB-CD1 4.25Å; I70-L89 HydrophobicContact CD1-CB 4.12Å; I70-L89 HydrophobicContact CG2-CB 4.28Å; I70-V91 HydrophobicContact CD1-CB 4.35Å; I70-V91 HydrophobicContact CD1-CG2 3.74Å; I70-V91 HydrophobicContact CG1-CG2 3.94Å; I70-V91 HydrophobicContact CG2-CG2 3.85Å
71	H	98.5	Very high	97.6	Very high	35 Å²	35	56.7 Å²	56.7	16%	0.162	34%	0.342	C	S	.	.			trans	-88	112.6	172.2	-173.2	-138.1	0	0	0	108.9	W52 N73 S74 G75 S76	W52-H71 HydrophobicContact CD2-CB 3.68Å; W52-H71 AromaticContact CE2-CD2 3.98Å; W52-H71 AromaticContact CE2-CG 3.96Å; W52-H71 HydrophobicContact CE3-CB 3.55Å; W52-H71 HydrophobicContact CH2-CB 3.56Å; W52-H71 HydrophobicContact CZ2-CB 3.67Å; W52-H71 HydrophobicContact CZ3-CB 3.5Å; W52-H71 VanDerWaalsContact CZ3-N 3.3Å; W52-H71 AromaticContact NE1-CD2 3.95Å; H71-N73 PolarHBondContact O-N 2.92Å; H71-N73 VanDerWaalsContact O-N 3.16Å; H71-S74 PolarHBondContact ND1-N 3.19Å; H71-S74 PolarHBondContact ND1-OG 3.4Å; H71-S74 PolarHBondContact O-N 3Å; H71-G75 WeakPolarHBondContact O-CA 3.27Å; H71-G75 PolarHBondContact O-N 2.89Å; H71-S76 PolarHBondContact N-O 2.83Å
72	P	98.4	Very high	97.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	-172.8	-21.8	34.8	0	0	0	113.7	F48 Y51 I70 V91 K93	F48-P72 HydrophobicContact CD1-CB 3.93Å; F48-P72 HydrophobicContact CD2-CB 4.45Å; F48-P72 HydrophobicContact CD2-CG 4.17Å; F48-P72 HydrophobicContact CE1-CB 3.57Å; F48-P72 HydrophobicContact CE1-CG 4.13Å; F48-P72 HydrophobicContact CE2-CB 4.11Å; F48-P72 HydrophobicContact CE2-CG 3.72Å; F48-P72 HydrophobicContact CG-CB 4.38Å; F48-P72 HydrophobicContact CZ-CB 3.67Å; F48-P72 HydrophobicContact CZ-CG 3.71Å; Y51-P72 WeakPolarHBondContact O-CD 3.47Å; Y51-P72 WeakPolarHBondContact O-CG 3.2Å; I70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-V91 HydrophobicContact CB-CG1 3.9Å; P72-V91 HydrophobicContact CB-CG2 4.15Å; P72-V91 HydrophobicContact CG-CG2 4.4Å; P72-K93 WeakPolarHBondContact O-CE 3.08Å
73	N	98.2	Very high	97.8	Very high	90 Å²	90	54.6 Å²	54.6	48%	0.481	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-54.2	174.2	-171.5	31.6	0	0	0	112.9	T49 H71 K93	T49-N73 VanDerWaalsContact O-CB 3.26Å; T49-N73 WeakPolarHBondContact O-CB 3.49Å; H71-N73 PolarHBondContact O-N 2.92Å; H71-N73 VanDerWaalsContact O-N 3.16Å; N73-K93 WeakPolarHBondContact O-CE 3.18Å; N73-K93 PolarHBondContact O-NZ 2.94Å
74	S	98	Very high	97.9	Very high	69 Å²	69	57.2 Å²	57.2	48%	0.483	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-15.5	-174.2	60.8	0	0	0	0	114	H71 S76	H71-S74 PolarHBondContact ND1-N 3.19Å; H71-S74 PolarHBondContact ND1-OG 3.4Å; H71-S74 PolarHBondContact O-N 3Å; S74-S76 WeakPolarHBondContact CB-OG 3.42Å; S74-S76 PolarHBondContact O-N 2.84Å; S74-S76 WeakPolarHBondContact OG-CB 3.37Å; S74-S76 PolarHBondContact OG-N 2.8Å; S74-S76 PolarHBondContact OG-OG 2.83Å
75	G	97.6	Very high	97.8	Very high	41 Å²	41	57 Å²	57	42%	0.423	31%	0.307	S	S	.	.			trans	71.4	4.2	-169.9	0	0	0	0	0	113.6	H71 T77	H71-G75 WeakPolarHBondContact O-CA 3.27Å; H71-G75 PolarHBondContact O-N 2.89Å; G75-T77 PolarHBondContact O-N 2.86Å
76	S	98.4	Very high	97.8	Very high	58 Å²	58	57.3 Å²	57.3	41%	0.406	31%	0.308	S	S	.	.			trans	-62.9	133.7	179.3	-55.4	0	0	0	0	110.3	W52 I70 H71 S74	W52-S76 VanDerWaalsContact CZ3-O 3.23Å; W52-S76 WeakPolarHBondContact CZ3-O 3.43Å; I70-S76 CarbonylContact C-O 3.6Å; I70-S76 WeakPolarHBondContact CA-O 3.42Å; H71-S76 PolarHBondContact N-O 2.83Å; S74-S76 WeakPolarHBondContact CB-OG 3.42Å; S74-S76 PolarHBondContact O-N 2.84Å; S74-S76 WeakPolarHBondContact OG-CB 3.37Å; S74-S76 PolarHBondContact OG-N 2.8Å; S74-S76 PolarHBondContact OG-OG 2.83Å
77	T	98.6	Very high	97.8	Very high	63 Å²	63	53.5 Å²	53.5	39%	0.387	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.2	-179.4	55.6	0	0	0	0	111.5	M69 I70 G75 Y79 L89	M69-T77 VanDerWaalsContact O-CA 3.28Å; M69-T77 WeakPolarHBondContact O-CA 3.36Å; I70-T77 HydrophobicContact CB-CG2 4.06Å; I70-T77 HydrophobicContact CD1-CG2 3.77Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; G75-T77 PolarHBondContact O-N 2.86Å; T77-Y79 HydrophobicContact CG2-CE2 4.37Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.28Å; T77-L89 HydrophobicContact CG2-CB 4.06Å
78	N	98.2	Very high	97.8	Very high	93 Å²	93	57 Å²	57	50%	0.497	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.4	164.7	-165.8	-3.7	0	0	0	108.9	W66 G68 M69	W66-N78 HydrophobicContact CH2-CB 4.33Å; G68-N78 CarbonylContact C-O 3.59Å; G68-N78 WeakPolarHBondContact CA-O 3.4Å; M69-N78 HydrophobicContact CG-CB 4.06Å; M69-N78 PolarHBondContact N-O 3.46Å; M69-N78 PolarHBondContact O-N 2.86Å
79	Y	98.5	Very high	97.8	Very high	39 Å²	39	57.4 Å²	57.4	15%	0.153	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.8	-174.7	-65.1	-91.4	0	0	0	110.5	W66 T77 A87 L89	W66-Y79 VanDerWaalsContact CZ3-C 3.5Å; T77-Y79 HydrophobicContact CG2-CE2 4.37Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.28Å; Y79-A87 HydrophobicContact CD1-CB 4.41Å; Y79-A87 HydrophobicContact CE1-CB 4.19Å; Y79-A87 WeakPolarHBondContact CE1-O 3.47Å; Y79-L89 HydrophobicContact CE1-CD1 4.04Å; Y79-L89 HydrophobicContact CE1-CG 3.67Å; Y79-L89 PolarHBondContact OH-N 3.42Å
80	N	97.7	Very high	97.8	Very high	42 Å²	42	58.5 Å²	58.5	23%	0.225	33%	0.326	C	S	.	.			trans	-69.8	132	155.7	179.8	-25.3	0	0	0	108.3	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.84Å; W66-N80 HydrophobicContact CZ3-CB 4.06Å; W66-N80 VanDerWaalsContact CZ3-N 3.28Å; W66-N80 WeakPolarHBondContact O-CB 3.42Å; W66-N80 PolarHBondContact O-ND2 2.94Å; I67-N80 PolarHBondContact O-N 3.36Å; N80-K82 PolarHBondContact O-N 3.27Å; N80-K82 PolarHBondContact OD1-N 3.24Å; N80-K82 VanDerWaalsContact OD1-N 3.09Å; N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 PolarHBondContact O-N 3.46Å; N80-K84 PolarHBondContact O-N 2.84Å
81	E	97.3	Very high	97.7	Very high	127 Å²	127	60.2 Å²	60.2	59%	0.593	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-32.1	-177	-69.3	-61.1	147.4	0	0	112.9	F83 K84	E81-F83 PolarHBondContact O-N 3.04Å; E81-K84 PolarHBondContact O-N 3.22Å; E81-K84 IonicContact OE1-NZ 3.08Å; E81-K84 PolarHBondContact OE1-NZ 3.21Å; E81-K84 WeakPolarHBondContact OE2-CD 3.19Å; E81-K84 IonicContact OE2-NZ 3.74Å; E81-K84 PolarHBondContact OE2-NZ 2.84Å
82	K	95.5	Very high	97.7	Very high	149 Å²	149	61 Å²	61	65%	0.648	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.5	175.7	-66.5	-174.8	-172.8	177.1	0	114.2	E65 N80	E65-K82 VanDerWaalsContact OE1-CD 3.28Å; E65-K82 WeakPolarHBondContact OE1-CD 3Å; E65-K82 IonicContact OE1-NZ 2.83Å; E65-K82 PolarHBondContact OE1-NZ 2.64Å; N80-K82 PolarHBondContact O-N 3.27Å; N80-K82 PolarHBondContact OD1-N 3.24Å; N80-K82 VanDerWaalsContact OD1-N 3.09Å
83	F	96.9	Very high	97.7	Very high	8 Å²	8	66.3 Å²	66.3	4%	0.035	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-7.7	-174.9	-64.2	-86.8	0	0	0	113.2	K57 E65 I67 N80 E81 S85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.03Å; K57-F83 HydrophobicContact CD-CZ 4.04Å; E65-F83 HydrophobicContact CG-CE2 3.76Å; E65-F83 HydrophobicContact CG-CZ 4.04Å; I67-F83 HydrophobicContact CB-CD2 4.41Å; I67-F83 HydrophobicContact CB-CG 4.31Å; I67-F83 HydrophobicContact CG1-CD1 4.26Å; I67-F83 HydrophobicContact CG1-CD2 4.39Å; I67-F83 HydrophobicContact CG1-CE1 4.21Å; I67-F83 HydrophobicContact CG1-CE2 4.34Å; I67-F83 HydrophobicContact CG1-CG 4.34Å; I67-F83 HydrophobicContact CG1-CZ 4.25Å; I67-F83 HydrophobicContact CG2-CB 3.74Å; I67-F83 HydrophobicContact CG2-CD1 4.08Å; I67-F83 HydrophobicContact CG2-CD2 4.36Å; I67-F83 HydrophobicContact CG2-CG 3.81Å; N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 PolarHBondContact O-N 3.46Å; E81-F83 PolarHBondContact O-N 3.04Å; F83-S85 PolarHBondContact O-N 3.07Å; F83-S85 VanDerWaalsContact O-N 3.16Å; F83-K86 PolarHBondContact O-N 2.86Å; F83-A87 HydrophobicContact CB-CB 4.2Å; F83-A87 PolarHBondContact O-N 3.45Å
84	K	95.8	Very high	97.6	Very high	115 Å²	115	67.3 Å²	67.3	50%	0.5	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.8	-173.1	-167.4	175.5	-172.1	172.5	0	114	N80 E81	N80-K84 PolarHBondContact O-N 2.84Å; E81-K84 PolarHBondContact O-N 3.22Å; E81-K84 IonicContact OE1-NZ 3.08Å; E81-K84 PolarHBondContact OE1-NZ 3.21Å; E81-K84 WeakPolarHBondContact OE2-CD 3.19Å; E81-K84 IonicContact OE2-NZ 3.74Å; E81-K84 PolarHBondContact OE2-NZ 2.84Å
85	S	95.9	Very high	97.6	Very high	112 Å²	112	65.7 Å²	65.7	78%	0.783	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-11.7	176.1	58.7	0	0	0	0	114.1	F83	F83-S85 PolarHBondContact O-N 3.07Å; F83-S85 VanDerWaalsContact O-N 3.16Å
86	K	96.8	Very high	97.6	Very high	40 Å²	40	65.5 Å²	65.5	17%	0.174	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-32.6	-168.5	-163.5	167.4	-172.9	158.4	0	113.5	F83 L102 S103 S104 D109	F83-K86 PolarHBondContact O-N 2.86Å; K86-L102 WeakPolarHBondContact O-CA 3.29Å; K86-S103 WeakPolarHBondContact CE-O 3.4Å; K86-S103 WeakPolarHBondContact CG-O 3.35Å; K86-S103 PolarHBondContact O-N 3.14Å; K86-S103 PolarHBondContact O-OG 2.87Å; K86-S104 WeakPolarHBondContact CE-O 3.1Å; K86-S104 PolarHBondContact NZ-O 3.39Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 IonicContact NZ-OD1 3.57Å; K86-D109 IonicContact NZ-OD2 2.56Å; K86-D109 PolarHBondContact NZ-OD2 3.09Å
87	A	98.2	Very high	97.6	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.025	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139	-178.4	0	0	0	0	0	111	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.82Å; Y79-A87 HydrophobicContact CD1-CB 4.41Å; Y79-A87 HydrophobicContact CE1-CB 4.19Å; Y79-A87 WeakPolarHBondContact CE1-O 3.47Å; F83-A87 HydrophobicContact CB-CB 4.2Å; F83-A87 PolarHBondContact O-N 3.45Å; A87-Q101 CarbonylContact C-O 3.5Å; A87-Q101 VanDerWaalsContact CA-O 3.32Å; A87-Q101 WeakPolarHBondContact CA-O 2.99Å; A87-L102 HydrophobicContact CB-CD2 3.76Å
88	T	98.5	Very high	97.7	Very high	73 Å²	73	60.2 Å²	60.2	45%	0.448	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.6	169.8	-59.2	0	0	0	0	108.8	T90 Q101	T88-T90 HydrophobicContact CG2-CG2 4.32Å; T88-Q101 PolarHBondContact N-O 3.16Å; T88-Q101 PolarHBondContact O-N 3.4Å
89	L	98.7	Very high	97.7	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132	178.9	-53.5	-176.3	0	0	0	110.3	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.09Å; I70-L89 HydrophobicContact CB-CB 4.03Å; I70-L89 HydrophobicContact CB-CD1 4.25Å; I70-L89 HydrophobicContact CD1-CB 4.12Å; I70-L89 HydrophobicContact CG2-CB 4.28Å; T77-L89 HydrophobicContact CG2-CB 4.06Å; Y79-L89 HydrophobicContact CE1-CD1 4.04Å; Y79-L89 HydrophobicContact CE1-CG 3.67Å; Y79-L89 PolarHBondContact OH-N 3.42Å; L89-Y99 WeakPolarHBondContact CA-O 3.4Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.62Å; L89-M100 HydrophobicContact CD2-SD 4.11Å
90	T	98.5	Very high	97.7	Very high	59 Å²	59	56.5 Å²	56.5	36%	0.362	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163.9	176.4	57.5	0	0	0	0	110.6	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.32Å; T90-Y99 PolarHBondContact N-O 2.98Å; T90-Y99 PolarHBondContact O-N 2.79Å
91	V	98.5	Very high	97.7	Very high	39 Å²	39	58.5 Å²	58.5	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.3	-178.1	161.9	0	0	0	0	109.6	F48 I70 P72 K93 A98	F48-V91 HydrophobicContact CE1-CG1 3.66Å; F48-V91 HydrophobicContact CZ-CG1 4.02Å; F48-V91 HydrophobicContact CZ-CG2 4.3Å; I70-V91 HydrophobicContact CD1-CB 4.35Å; I70-V91 HydrophobicContact CD1-CG2 3.74Å; I70-V91 HydrophobicContact CG1-CG2 3.94Å; I70-V91 HydrophobicContact CG2-CG2 3.85Å; P72-V91 HydrophobicContact CB-CG1 3.9Å; P72-V91 HydrophobicContact CB-CG2 4.15Å; P72-V91 HydrophobicContact CG-CG2 4.4Å; V91-K93 HydrophobicContact CG1-CG 3.92Å; V91-A98 HydrophobicContact CG2-CB 4.19Å
92	D	98.1	Very high	97.7	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.283	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.6	159.9	175.3	9.2	0	0	0	108.9	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.83Å; D92-S94 WeakPolarHBondContact OD1-CB 3.28Å; D92-S94 PolarHBondContact OD1-N 3.16Å; D92-S94 PolarHBondContact OD1-OG 2.83Å; D92-S94 PolarHBondContact OD2-OG 2.92Å; D92-S95 VanDerWaalsContact OD2-CB 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.18Å; D92-S95 PolarHBondContact OD2-OG 2.91Å; D92-S96 PolarHBondContact O-N 2.92Å; D92-T97 PolarHBondContact N-O 3.27Å; D92-T97 PolarHBondContact O-N 2.89Å; D92-Y99 HydrophobicContact CB-CE2 3.95Å
93	K	97.4	Very high	97.8	Very high	111 Å²	111	47.1 Å²	47.1	48%	0.483	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.6	-179.1	-57	-175.9	-167.3	-173.5	0	112.1	T49 P72 N73 V91 S96	T49-K93 HydrophobicContact CG2-CD 4.44Å; P72-K93 WeakPolarHBondContact O-CE 3.08Å; N73-K93 WeakPolarHBondContact O-CE 3.18Å; N73-K93 PolarHBondContact O-NZ 2.94Å; V91-K93 HydrophobicContact CG1-CG 3.92Å; K93-S96 PolarHBondContact O-N 2.93Å
94	S	97.1	Very high	97.8	Very high	111 Å²	111	50.5 Å²	50.5	78%	0.776	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-36.1	-174.3	72.1	0	0	0	0	112.1	D92	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.83Å; D92-S94 WeakPolarHBondContact OD1-CB 3.28Å; D92-S94 PolarHBondContact OD1-N 3.16Å; D92-S94 PolarHBondContact OD1-OG 2.83Å; D92-S94 PolarHBondContact OD2-OG 2.92Å
95	S	97.7	Very high	97.8	Very high	36 Å²	36	45.5 Å²	45.5	25%	0.252	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.5	177.6	67.3	0	0	0	0	113.9	D92 T97	D92-S95 VanDerWaalsContact OD2-CB 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.18Å; D92-S95 PolarHBondContact OD2-OG 2.91Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 2.02Å; S95-T97 PolarHBondContact O-OG1 3.36Å; S95-T97 WeakPolarHBondContact OG-CB 3.14Å; S95-T97 PolarHBondContact OG-OG1 2.95Å
96	S	98.1	Very high	97.8	Very high	37 Å²	37	43.2 Å²	43.2	26%	0.259	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.6	-170.7	-63.3	0	0	0	0	112.9	A43 F48 D92 K93	A43-S96 PolarHBondContact N-O 3.3Å; A43-S96 WeakPolarHBondContact O-CB 3.43Å; F48-S96 VanDerWaalsContact CD1-CA 3.45Å; D92-S96 PolarHBondContact O-N 2.92Å; K93-S96 PolarHBondContact O-N 2.93Å
97	T	98.6	Very high	97.7	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.1	-175	-50.6	0	0	0	0	111	C41 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.39Å; D92-T97 PolarHBondContact N-O 3.27Å; D92-T97 PolarHBondContact O-N 2.89Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 2.02Å; S95-T97 PolarHBondContact O-OG1 3.36Å; S95-T97 WeakPolarHBondContact OG-CB 3.14Å; S95-T97 PolarHBondContact OG-OG1 2.95Å; T97-Y99 HydrophobicContact CG2-CD1 4.36Å; T97-Y99 HydrophobicContact CG2-CD2 4.28Å; T97-Y99 HydrophobicContact CG2-CE1 3.79Å; T97-Y99 HydrophobicContact CG2-CE2 3.67Å
98	A	98.6	Very high	97.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	147.2	166.5	0	0	0	0	0	109.8	S40 C41 F48 M53 W55 V91	S40-A98 CarbonylContact C-O 3.54Å; C41-A98 PolarHBondContact N-O 2.68Å; C41-A98 PolarHBondContact O-N 2.77Å; F48-A98 HydrophobicContact CE2-CB 4.46Å; F48-A98 HydrophobicContact CZ-CB 4.17Å; M53-A98 HydrophobicContact CB-CB 4.11Å; M53-A98 HydrophobicContact CE-CB 4.49Å; M53-A98 HydrophobicContact CG-CB 3.64Å; W55-A98 HydrophobicContact CZ2-CB 4.41Å; V91-A98 HydrophobicContact CG2-CB 4.19Å
99	Y	98.6	Very high	97.3	Very high	54 Å²	54	49.8 Å²	49.8	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.6	177.5	-57.8	-91.4	0	0	0	111	K38 L39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.34Å; K38-Y99 HydrophobicContact CG-CD1 4.26Å; L39-Y99 CarbonylContact O-C 3.51Å; L39-Y99 WeakPolarHBondContact O-CA 3.14Å; S40-Y99 VanDerWaalsContact CB-CE1 3.42Å; L89-Y99 WeakPolarHBondContact CA-O 3.4Å; T90-Y99 PolarHBondContact N-O 2.98Å; T90-Y99 PolarHBondContact O-N 2.79Å; D92-Y99 HydrophobicContact CB-CE2 3.95Å; T97-Y99 HydrophobicContact CG2-CD1 4.36Å; T97-Y99 HydrophobicContact CG2-CD2 4.28Å; T97-Y99 HydrophobicContact CG2-CE1 3.79Å; T97-Y99 HydrophobicContact CG2-CE2 3.67Å
100	M	98.3	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.2	166.7	177.5	175.5	69.6	0	0	108.7	L39 W55 I67 L89 L102 Y113	L39-M100 HydrophobicContact CD1-CE 3.69Å; L39-M100 PolarHBondContact N-O 3.37Å; L39-M100 PolarHBondContact O-N 2.98Å; W55-M100 HydrophobicContact CB-CE 4.48Å; W55-M100 HydrophobicContact CB-SD 3.78Å; W55-M100 HydrophobicContact CD2-CB 3.61Å; W55-M100 HydrophobicContact CD2-CE 4.16Å; W55-M100 HydrophobicContact CD2-CG 4.4Å; W55-M100 HydrophobicContact CD2-SD 4Å; W55-M100 HydrophobicContact CE3-CB 3.87Å; W55-M100 HydrophobicContact CE3-CE 3.63Å; W55-M100 HydrophobicContact CE3-SD 4.11Å; W55-M100 HydrophobicContact CG-CB 4.13Å; W55-M100 HydrophobicContact CG-SD 3.89Å; W55-M100 HydrophobicContact CH2-CB 4.03Å; W55-M100 HydrophobicContact CZ2-CB 3.8Å; W55-M100 HydrophobicContact CZ3-CB 4.06Å; W55-M100 HydrophobicContact CZ3-CE 4.2Å; I67-M100 HydrophobicContact CB-SD 4.45Å; I67-M100 HydrophobicContact CD1-CE 3.75Å; I67-M100 HydrophobicContact CD1-SD 3.63Å; I67-M100 HydrophobicContact CG2-SD 3.83Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.62Å; L89-M100 HydrophobicContact CD2-SD 4.11Å; M100-L102 HydrophobicContact CE-CD1 3.93Å; M100-L102 HydrophobicContact CE-CD2 4.29Å; M100-L102 HydrophobicContact CE-CG 4.09Å; M100-L102 HydrophobicContact CG-CD2 4.27Å; M100-L102 HydrophobicContact CG-CG 4.28Å; M100-L102 HydrophobicContact SD-CD2 4.08Å; M100-L102 HydrophobicContact SD-CG 4.4Å; M100-Y113 HydrophobicContact CE-CD1 3.59Å; M100-Y113 HydrophobicContact CE-CE1 4.09Å; M100-Y113 HydrophobicContact CE-CG 4.27Å
101	Q	98.3	Very high	97.1	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.7	169.5	-177.6	170.2	-24.5	0	0	109.2	V37 K38 A87 T88	V37-Q101 CarbonylContact O-C 3.44Å; V37-Q101 VanDerWaalsContact O-CA 3.27Å; V37-Q101 WeakPolarHBondContact O-CA 3.29Å; K38-Q101 HydrophobicContact CG-CB 4.48Å; A87-Q101 CarbonylContact C-O 3.5Å; A87-Q101 VanDerWaalsContact CA-O 3.32Å; A87-Q101 WeakPolarHBondContact CA-O 2.99Å; T88-Q101 PolarHBondContact N-O 3.16Å; T88-Q101 PolarHBondContact O-N 3.4Å
102	L	97.8	Very high	97.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.6	170.8	-61.1	167.6	0	0	0	108.5	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.42Å; S36-L102 WeakPolarHBondContact CB-O 3.47Å; V37-L102 HydrophobicContact CG1-CB 4.06Å; V37-L102 HydrophobicContact CG1-CD1 4.33Å; V37-L102 PolarHBondContact N-O 2.97Å; V37-L102 PolarHBondContact O-N 2.88Å; K86-L102 WeakPolarHBondContact O-CA 3.29Å; A87-L102 HydrophobicContact CB-CD2 3.76Å; M100-L102 HydrophobicContact CE-CD1 3.93Å; M100-L102 HydrophobicContact CE-CD2 4.29Å; M100-L102 HydrophobicContact CE-CG 4.09Å; M100-L102 HydrophobicContact CG-CD2 4.27Å; M100-L102 HydrophobicContact CG-CG 4.28Å; M100-L102 HydrophobicContact SD-CD2 4.08Å; M100-L102 HydrophobicContact SD-CG 4.4Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CD1-CD2 4.26Å; L102-Y113 HydrophobicContact CD1-CD1 4.25Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 4.25Å
103	S	97.4	Very high	97.1	Very high	36 Å²	36	52.7 Å²	52.7	25%	0.252	31%	0.312	S	S	.	.			trans	-105.8	161.2	179.2	59.7	0	0	0	0	112.1	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.47Å; K86-S103 WeakPolarHBondContact CE-O 3.4Å; K86-S103 WeakPolarHBondContact CG-O 3.35Å; K86-S103 PolarHBondContact O-N 3.14Å; K86-S103 PolarHBondContact O-OG 2.87Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.98Å
104	S	96.7	Very high	97.1	Very high	78 Å²	78	52.1 Å²	52.1	55%	0.545	31%	0.307	S	S	.	.	S	Bend	trans	49.6	51.1	171.1	-56	0	0	0	0	113.2	A35 K86	A35-S104 PolarHBondContact O-N 2.56Å; K86-S104 WeakPolarHBondContact CE-O 3.1Å; K86-S104 PolarHBondContact NZ-O 3.39Å
105	L	97	Very high	97.1	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.052	27%	0.274	C	S	.	.			trans	-65.4	142.8	-173.5	-68.3	172.3	0	0	0	112.2	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.32Å; V31-L105 HydrophobicContact CG2-CD1 3.52Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.28Å; G34-L105 PolarHBondContact N-O 2.96Å; A35-L105 WeakPolarHBondContact O-CG 3.4Å; A35-L105 PolarHBondContact O-N 2.84Å; V37-L105 HydrophobicContact CB-CD1 3.89Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CD1-CD2 4.26Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.98Å; L105-D109 WeakPolarHBondContact CA-OD2 3.33Å; L105-D109 HydrophobicContact CD2-CB 3.67Å
106	T	96	Very high	97.1	Very high	64 Å²	64	47.7 Å²	47.7	39%	0.393	28%	0.279	S	S	.	.			trans	-120.5	174.1	174.3	66.8	0	0	0	0	110	E108 D109	T106-E108 PolarHBondContact O-N 3.27Å; T106-E108 PolarHBondContact OG1-N 2.89Å; T106-D109 PolarHBondContact N-OD2 2.77Å; T106-D109 WeakPolarHBondContact O-CB 3.36Å; T106-D109 PolarHBondContact O-N 2.96Å; T106-D109 PolarHBondContact OG1-OD2 3.37Å
107	S	94.3	Very high	96.9	Very high	106 Å²	106	51.3 Å²	51.3	74%	0.741	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.5	173.6	50.1	0	0	0	0	112.8	D109 S110	S107-D109 PolarHBondContact O-N 2.96Å; S107-S110 WeakPolarHBondContact O-CB 2.86Å; S107-S110 PolarHBondContact O-N 2.93Å
108	E	93.4	Very high	96.8	Very high	132 Å²	132	53.4 Å²	53.4	62%	0.617	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69	-12.5	176.4	-59	-177.2	176.9	0	0	113.7	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.23Å; K57-E108 PolarHBondContact NZ-O 2.93Å; R59-E108 PolarHBondContact NE-O 3.26Å; T106-E108 PolarHBondContact O-N 3.27Å; T106-E108 PolarHBondContact OG1-N 2.89Å
109	D	95.2	Very high	96.7	Very high	16 Å²	16	56.2 Å²	56.2	9%	0.086	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-91.2	-3.8	174.6	-58.3	-53.9	0	0	0	114	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.63Å; K57-D109 PolarHBondContact NZ-OD1 3.28Å; K57-D109 VanDerWaalsContact NZ-OD1 3.08Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 IonicContact NZ-OD1 3.57Å; K86-D109 IonicContact NZ-OD2 2.56Å; K86-D109 PolarHBondContact NZ-OD2 3.09Å; L105-D109 WeakPolarHBondContact CA-OD2 3.33Å; L105-D109 HydrophobicContact CD2-CB 3.67Å; T106-D109 PolarHBondContact N-OD2 2.77Å; T106-D109 WeakPolarHBondContact O-CB 3.36Å; T106-D109 PolarHBondContact O-N 2.96Å; T106-D109 PolarHBondContact OG1-OD2 3.37Å; S107-D109 PolarHBondContact O-N 2.96Å; D109-A111 PolarHBondContact O-N 2.95Å; D109-Y113 WeakPolarHBondContact O-CE2 3.26Å; D109-Y113 PolarHBondContact O-OH 3.23Å
110	S	95.9	Very high	96.6	Very high	91 Å²	91	56.3 Å²	56.3	64%	0.636	32%	0.319	S	S	*	.			trans	-64.6	105.8	169.9	-169.5	0	0	0	0	109.7	S107	S107-S110 WeakPolarHBondContact O-CB 2.86Å; S107-S110 PolarHBondContact O-N 2.93Å
111	A	96.8	Very high	96.5	Very high	27 Å²	27	59.6 Å²	59.6	22%	0.223	34%	0.338	C	S	.	.	S	Bend	trans	-161.8	164.9	-170.8	0	0	0	0	0	110.5	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.55Å; Q58-A111 CarbonylContact O-C 3.56Å; Q58-A111 WeakPolarHBondContact O-CA 3.35Å; Q58-A111 VanDerWaalsContact O-CB 3.27Å; Q58-A111 WeakPolarHBondContact O-CB 3.35Å; R59-A111 HydrophobicContact CG-CB 4.15Å; D109-A111 PolarHBondContact O-N 2.95Å; A111-Y113 HydrophobicContact CB-CD2 4.36Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 WeakPolarHBondContact O-CD2 3.43Å
112	V	97.1	Very high	96.3	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.5	161.3	-172.2	0	0	0	0	108.2	Q58 Y114	Q58-V112 PolarHBondContact N-O 2.94Å; Q58-V112 PolarHBondContact O-N 3.15Å; V112-Y114 HydrophobicContact CB-CE2 3.92Å; V112-Y114 HydrophobicContact CG1-CD1 4.43Å; V112-Y114 HydrophobicContact CG1-CD2 4.22Å; V112-Y114 HydrophobicContact CG1-CE1 3.83Å; V112-Y114 HydrophobicContact CG1-CE2 3.57Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.47Å
113	Y	97.9	Very high	96.2	Very high	29 Å²	29	61.9 Å²	61.9	11%	0.114	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.4	178.9	-71.8	-88.3	0	0	0	109.4	Q25 L39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 2.87Å; Q25-Y113 PolarHBondContact OE1-O 3.17Å; L39-Y113 HydrophobicContact CD1-CD1 4.3Å; L39-Y113 HydrophobicContact CD1-CD2 4.09Å; L39-Y113 HydrophobicContact CD1-CG 3.72Å; V56-Y113 WeakPolarHBondContact O-CA 3.21Å; K57-Y113 HydrophobicContact CB-CD1 4.23Å; K57-Y113 HydrophobicContact CB-CE1 4Å; K57-Y113 HydrophobicContact CD-CE1 4.02Å; K57-Y113 HydrophobicContact CG-CD1 4.32Å; K57-Y113 HydrophobicContact CG-CE1 3.79Å; I67-Y113 HydrophobicContact CD1-CD1 3.68Å; I67-Y113 HydrophobicContact CD1-CE1 3.7Å; M100-Y113 HydrophobicContact CE-CD1 3.59Å; M100-Y113 HydrophobicContact CE-CE1 4.09Å; M100-Y113 HydrophobicContact CE-CG 4.27Å; L102-Y113 HydrophobicContact CD1-CD1 4.25Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 4.25Å; D109-Y113 WeakPolarHBondContact O-CE2 3.26Å; D109-Y113 PolarHBondContact O-OH 3.23Å; A111-Y113 HydrophobicContact CB-CD2 4.36Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 WeakPolarHBondContact O-CD2 3.43Å
114	Y	97.9	Very high	96.2	Very high	99 Å²	99	63.7 Å²	63.7	39%	0.388	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.1	-179.4	-61.5	-80	0	0	0	110.5	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.17Å; V56-Y114 PolarHBondContact N-O 3.44Å; V56-Y114 PolarHBondContact O-N 3.28Å; Q58-Y114 HydrophobicContact CB-CD2 4.46Å; Q58-Y114 HydrophobicContact CB-CE2 3.9Å; Q58-Y114 PolarHBondContact OE1-OH 2.98Å; V112-Y114 HydrophobicContact CB-CE2 3.92Å; V112-Y114 HydrophobicContact CG1-CD1 4.43Å; V112-Y114 HydrophobicContact CG1-CD2 4.22Å; V112-Y114 HydrophobicContact CG1-CE1 3.83Å; V112-Y114 HydrophobicContact CG1-CE2 3.57Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.47Å
115	C	98.2	Very high	96.1	Very high	13 Å²	13	62.6 Å²	62.6	9%	0.088	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.3	157.9	64.5	0	0	0	0	110.6	Q25 C41 M53 H54 W55	Q25-C115 VanDerWaalsContact CG-SG 3.56Å; Q25-C115 PolarHBondContact OE1-SG 3.3Å; C41-C115 HydrophobicContact CB-CB 3.45Å; C41-C115 VanDerWaalsContact CB-CB 3.45Å; C41-C115 WeakPolarHBondContact CB-SG 3.46Å; C41-C115 WeakPolarHBondContact SG-CB 3.42Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.04Å; M53-C115 HydrophobicContact SD-CB 3.74Å; H54-C115 CarbonylContact O-C 3.58Å; H54-C115 VanDerWaalsContact O-CA 3.29Å; H54-C115 WeakPolarHBondContact O-CA 3.47Å; W55-C115 HydrophobicContact CD2-CB 4.47Å; W55-C115 HydrophobicContact CE3-CB 4.28Å; W55-C115 HydrophobicContact CH2-CB 4.33Å; W55-C115 HydrophobicContact CZ2-CB 4.48Å; W55-C115 HydrophobicContact CZ3-CB 4.22Å
116	A	97.8	Very high	96	Very high	41 Å²	41	67 Å²	67	34%	0.339	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.9	179.9	0	0	0	0	0	111.2	H54	H54-A116 HydrophobicContact CB-CB 4.39Å; H54-A116 PolarHBondContact N-O 3.32Å; H54-A116 PolarHBondContact O-N 3.49Å
117	R	92.1	Very high	96.1	Very high	112 Å²	112	67.3 Å²	67.3	42%	0.423	37%	0.373	S	S	.	.			trans	-119.1	0	175.4	-173.2	-161	82.7	-171.2	3.9	110	L23 Y46 Y51	L23-R117 HydrophobicContact CD1-CB 4.41Å; Y46-R117 HydrophobicContact CE2-CG 4.1Å; Y51-R117 HydrophobicContact CD1-CG 4.11Å; Y51-R117 HydrophobicContact CG-CG 3.83Å

Retrieved 117 of 117 residues in 94 ms (Link to these results)

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