A0A075B5V0_MOUSE Loading...

Immunoglobulin heavy variable 1-26

AlphaFold DB , UniProt , Accession A0A075B5V0, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-26, Length 117 aa.

						>A0A075B5V0_MOUSE|A0A075B5V0|Ighv1-26
MGWSWIFLFLLSGTAGVLSEVQLQQSGPELVKPGASVKISCKASGYTFTDYYMNWVKQSHGKSLEWIGDINPNNGGTSYNQKFKGKATLTVDKSSSTAYMELRSLTSEDSAVYYCAR
					

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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	49.8	Very low	60.1	Low	256 Å²	256	166 Å²	166	100%	1.261	83%	0.829	S	S	*	*				0	88	0	-62.9	158.3	165.1	0	0	108
2	G	52.9	Low	60.3	Low	68 Å²	68	161.2 Å²	161.2	70%	0.701	82%	0.823	S	S	*	*			cis	122	45.3	7.4	0	0	0	0	0	113.4
3	W	52.3	Low	60.6	Low	233 Å²	233	154.5 Å²	154.5	88%	0.883	82%	0.818	S	S	*	*			trans	-143.9	89.9	168.7	-95.6	-10.5	0	0	0	112.9
4	S	62.7	Low	60.9	Low	118 Å²	118	153 Å²	153	83%	0.825	82%	0.818	S	S	*	*			trans	-84.1	120	161	-90.1	0	0	0	0	109.3
5	W	62.9	Low	61.1	Low	188 Å²	188	148.7 Å²	148.7	71%	0.712	81%	0.812	S	S	*	*			trans	-94.4	105.6	171.3	-71.5	51	0	0	0	108.2	F7	W5-F7 HydrophobicContact CB-CE2 4.25Å; W5-F7 HydrophobicContact CE3-CZ 4.3Å
6	I	71.2	Confident	61.1	Low	146 Å²	146	143.9 Å²	143.9	75%	0.749	81%	0.808	S	S	*	*			trans	-83.6	112.2	170.1	-67.6	168.3	0	0	0	107.3	L8	I6-L8 HydrophobicContact CG2-CG 4.11Å; I6-L8 PolarHBondContact O-N 3.07Å
7	F	63.7	Low	61.5	Low	159 Å²	159	143.4 Å²	143.4	70%	0.697	81%	0.809	S	S	*	*			trans	-85.1	102.3	168	-72.4	-83.1	0	0	0	109	W5	W5-F7 HydrophobicContact CB-CE2 4.25Å; W5-F7 HydrophobicContact CE3-CZ 4.3Å
8	L	64.6	Low	62	Low	150 Å²	150	144.7 Å²	144.7	79%	0.785	81%	0.813	S	S	*	*			trans	-86.3	107.7	165.3	-79.9	163.8	0	0	0	108.6	I6 L10	I6-L8 HydrophobicContact CG2-CG 4.11Å; I6-L8 PolarHBondContact O-N 3.07Å; L8-L10 PolarHBondContact O-N 3.41Å
9	F	59	Low	63.1	Low	182 Å²	182	141.5 Å²	141.5	80%	0.798	80%	0.801	S	S	*	*			trans	-83.2	104.8	165.8	-87.6	-87.6	0	0	0	109.1
10	L	61.4	Low	64.5	Low	159 Å²	159	141.4 Å²	141.4	83%	0.832	79%	0.793	S	S	*	*			trans	-92.6	101.4	163.6	-71.5	169	0	0	0	107.8	L8 S12	L8-L10 PolarHBondContact O-N 3.41Å; L10-S12 PolarHBondContact O-N 2.75Å; L10-S12 VanDerWaalsContact O-N 3.13Å
11	L	60.1	Low	66	Low	167 Å²	167	138.2 Å²	138.2	87%	0.874	78%	0.777	S	S	*	*			trans	-76.3	94.3	166.8	-81.2	161.5	0	0	0	108.2	G13	L11-G13 PolarHBondContact O-N 3.38Å; L11-G13 VanDerWaalsContact O-N 3.12Å
12	S	63.4	Low	68.2	Low	108 Å²	108	130.7 Å²	130.7	76%	0.755	74%	0.739	S	S	*	*			trans	-74	94.8	167.9	54.6	0	0	0	0	109.1	L10 T14	L10-S12 PolarHBondContact O-N 2.75Å; L10-S12 VanDerWaalsContact O-N 3.13Å; S12-T14 PolarHBondContact O-N 3.48Å
13	G	63.8	Low	70.4	Confident	74 Å²	74	130 Å²	130	76%	0.763	72%	0.719	S	S	*	*			trans	-74.2	107.2	167.3	0	0	0	0	0	109.9	L11 A15	L11-G13 PolarHBondContact O-N 3.38Å; L11-G13 VanDerWaalsContact O-N 3.12Å; G13-A15 VanDerWaalsContact C-N 3.34Å; G13-A15 PolarHBondContact O-N 2.89Å; G13-A15 VanDerWaalsContact O-N 3.07Å
14	T	64.6	Low	72.6	Confident	134 Å²	134	125.6 Å²	125.6	82%	0.822	71%	0.708	S	S	*	*			trans	-76.5	90.2	166.4	55.8	0	0	0	0	108	S12 G16	S12-T14 PolarHBondContact O-N 3.48Å; T14-G16 PolarHBondContact O-N 2.93Å; T14-G16 VanDerWaalsContact O-N 3.14Å
15	A	63.5	Low	74.3	Confident	88 Å²	88	122.4 Å²	122.4	73%	0.727	68%	0.68	S	S	*	*			trans	-64.1	112.2	160.1	0	0	0	0	0	106.8	G13 V17	G13-A15 VanDerWaalsContact C-N 3.34Å; G13-A15 PolarHBondContact O-N 2.89Å; G13-A15 VanDerWaalsContact O-N 3.07Å; A15-V17 PolarHBondContact O-N 2.88Å; A15-V17 VanDerWaalsContact O-N 3.12Å
16	G	61.5	Low	75.9	Confident	72 Å²	72	115.2 Å²	115.2	74%	0.742	66%	0.658	S	S	*	*			trans	-57.6	117.7	170.9	0	0	0	0	0	108.6	T14 L18	T14-G16 PolarHBondContact O-N 2.93Å; T14-G16 VanDerWaalsContact O-N 3.14Å; G16-L18 PolarHBondContact O-N 3.31Å; G16-L18 VanDerWaalsContact O-N 3.08Å
17	V	67.2	Low	77.2	Confident	135 Å²	135	110.8 Å²	110.8	82%	0.818	65%	0.649	S	S	*	*			trans	-76.4	98.3	179.9	-178.6	0	0	0	0	107.9	A15 S19	A15-V17 PolarHBondContact O-N 2.88Å; A15-V17 VanDerWaalsContact O-N 3.12Å; V17-S19 PolarHBondContact O-N 2.99Å
18	L	70.8	Confident	78.8	Confident	168 Å²	168	109.9 Å²	109.9	88%	0.88	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-68.9	119.8	159.9	-69.3	172.2	0	0	0	106.8	G16 E20	G16-L18 PolarHBondContact O-N 3.31Å; G16-L18 VanDerWaalsContact O-N 3.08Å; L18-E20 PolarHBondContact O-N 3.33Å
19	S	82.7	Confident	80.3	Confident	84 Å²	84	108.5 Å²	108.5	59%	0.587	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-74.2	127.7	178.1	-156.8	0	0	0	0	109.6	V17 G45	V17-S19 PolarHBondContact O-N 2.99Å; S19-G45 VanDerWaalsContact OG-CA 3.25Å; S19-G45 WeakPolarHBondContact OG-CA 3.32Å
20	E	92.8	Very high	82.1	Confident	139 Å²	139	108.3 Å²	108.3	65%	0.65	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-71.5	127.6	175.4	-174.4	-178.1	-160.8	0	0	109.8	L18 Q22 G45	L18-E20 PolarHBondContact O-N 3.33Å; E20-Q22 HydrophobicContact CG-CG 4.14Å; E20-Q22 PolarHBondContact O-N 2.76Å; E20-Q22 PolarHBondContact OE2-NE2 2.6Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
21	V	94.5	Very high	83.7	Confident	74 Å²	74	103.4 Å²	103.4	45%	0.448	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-71.8	121.6	174.2	175.6	0	0	0	0	108.8	Y46	V21-Y46 HydrophobicContact CG1-CD1 3.84Å; V21-Y46 HydrophobicContact CG1-CE1 4Å; V21-Y46 HydrophobicContact CG2-CD1 4.35Å
22	Q	97.1	Very high	85.4	Confident	99 Å²	99	103.6 Å²	103.6	46%	0.463	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	140	179.2	-63.6	-177	-10	0	0	111	E20 S44	E20-Q22 HydrophobicContact CG-CG 4.14Å; E20-Q22 PolarHBondContact O-N 2.76Å; E20-Q22 PolarHBondContact OE2-NE2 2.6Å; Q22-S44 PolarHBondContact N-O 2.87Å; Q22-S44 PolarHBondContact O-N 2.88Å
23	L	98.1	Very high	87	Confident	54 Å²	54	103.9 Å²	103.9	28%	0.283	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.2	108.3	173.2	-63.8	-175.5	0	0	0	108.7	K42 A43 Y46 M53 R117	L23-K42 WeakPolarHBondContact CA-O 3.39Å; L23-A43 HydrophobicContact CD2-CB 3.84Å; L23-Y46 HydrophobicContact CD2-CE1 4.22Å; L23-M53 HydrophobicContact CD1-CE 4.44Å; L23-M53 HydrophobicContact CD1-SD 4.25Å; L23-M53 HydrophobicContact CD2-CE 3.71Å; L23-R117 HydrophobicContact CD1-CB 4.46Å
24	Q	98.2	Very high	88.6	Confident	140 Å²	140	102.9 Å²	102.9	65%	0.654	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101	112.9	-178.6	-177.7	60	58.4	0	0	110.3	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.33Å; Q24-K42 PolarHBondContact N-O 2.95Å; Q24-K42 PolarHBondContact O-N 2.78Å
25	Q	98.5	Very high	90.1	Very high	50 Å²	50	98.2 Å²	98.2	23%	0.234	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.7	156.1	176.1	-71.6	-174.6	-118.6	0	0	112.7	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.54Å; Q25-S40 WeakPolarHBondContact CA-O 3.47Å; Q25-C41 HydrophobicContact CG-CB 4.21Å; Q25-Y113 PolarHBondContact NE2-O 3.43Å; Q25-Y113 PolarHBondContact OE1-O 3.14Å; Q25-C115 HydrophobicContact CG-CB 4.49Å; Q25-C115 WeakPolarHBondContact CG-SG 3.41Å
26	S	98	Very high	91.8	Very high	38 Å²	38	97 Å²	97	27%	0.266	58%	0.575	S	S	.	*			trans	-60.3	158.6	164.7	52.9	0	0	0	0	111.1	S40	S26-S40 WeakPolarHBondContact CB-OG 3.5Å; S26-S40 PolarHBondContact N-O 2.88Å; S26-S40 PolarHBondContact OG-N 2.83Å
27	G	97.6	Very high	93.5	Very high	53 Å²	53	94.4 Å²	94.4	55%	0.546	55%	0.545	S	S	.	.			trans	-67.3	178.5	-178.6	0	0	0	0	0	114.5
28	P	97.2	Very high	95	Very high	139 Å²	139	93.6 Å²	93.6	90%	0.903	53%	0.53	S	S	*	.			trans	-65.1	143.9	176.4	28.9	-34.8	0	0	0	111.3
29	E	96.6	Very high	96.3	Very high	122 Å²	122	86.4 Å²	86.4	57%	0.57	49%	0.493	S	S	*	.			trans	-123.5	129.9	-177.9	-72.9	-76.4	-175.8	0	0	109.8	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.45Å; E29-V37 HydrophobicContact CB-CG2 3.73Å; E29-V37 HydrophobicContact CG-CG2 3.66Å
30	L	96.4	Very high	97	Very high	177 Å²	177	84 Å²	84	93%	0.927	48%	0.476	S	S	*	.			trans	-108.3	115.1	171.1	-177.3	67.4	0	0	0	108.8
31	V	95.3	Very high	97.3	Very high	57 Å²	57	77.3 Å²	77.3	35%	0.345	45%	0.445	S	S	.	.			trans	-126.4	151.2	-172.7	-62.6	0	0	0	0	111.3	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.45Å; V31-A35 HydrophobicContact CB-CB 4.31Å; V31-V37 HydrophobicContact CG1-CB 4.33Å; V31-V37 HydrophobicContact CG1-CG2 4.33Å; V31-L105 HydrophobicContact CG2-CD1 3.59Å
32	K	96	Very high	97.5	Very high	171 Å²	171	79.4 Å²	79.4	74%	0.743	45%	0.448	S	S	*	.			trans	-75.5	149.6	174.4	-64.1	-178.6	-177.7	178.5	0	110.2	G34 A35	K32-G34 PolarHBondContact O-N 3.03Å; K32-A35 WeakPolarHBondContact O-CB 3.14Å; K32-A35 PolarHBondContact O-N 3.21Å; K32-A35 VanDerWaalsContact O-N 3.07Å
33	P	96	Very high	97.6	Very high	113 Å²	113	74.9 Å²	74.9	73%	0.734	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	140.2	168.3	-25.1	34.5	0	0	0	111.6	A35 L105	P33-A35 VanDerWaalsContact C-N 3.26Å; P33-A35 PolarHBondContact O-N 3.22Å; P33-L105 CarbonylContact C-O 3.54Å; P33-L105 WeakPolarHBondContact CA-O 3.26Å
34	G	97.2	Very high	97.5	Very high	54 Å²	54	74.9 Å²	74.9	56%	0.557	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-14.8	-174.6	0	0	0	0	0	114.8	K32 L105	K32-G34 PolarHBondContact O-N 3.03Å; G34-L105 PolarHBondContact N-O 2.97Å
35	A	97.9	Very high	97.4	Very high	36 Å²	36	69.5 Å²	69.5	30%	0.298	41%	0.414	S	S	.	.			trans	-71.9	170.5	176.3	0	0	0	0	0	112.1	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.31Å; K32-A35 WeakPolarHBondContact O-CB 3.14Å; K32-A35 PolarHBondContact O-N 3.21Å; K32-A35 VanDerWaalsContact O-N 3.07Å; P33-A35 VanDerWaalsContact C-N 3.26Å; P33-A35 PolarHBondContact O-N 3.22Å; A35-S104 PolarHBondContact O-N 3.06Å; A35-L105 WeakPolarHBondContact O-CB 3.43Å; A35-L105 WeakPolarHBondContact O-CG 3.23Å; A35-L105 PolarHBondContact O-N 2.76Å
36	S	97.6	Very high	97.2	Very high	62 Å²	62	69 Å²	69	43%	0.434	41%	0.41	S	S	.	.			trans	-115.5	150.4	172	-53	0	0	0	0	109.9	L102 R103	S36-L102 CarbonylContact C-O 3.54Å; S36-L102 WeakPolarHBondContact CA-O 3.35Å; S36-L102 WeakPolarHBondContact CB-O 3.14Å; S36-R103 WeakPolarHBondContact OG-CA 3.49Å
37	V	97.8	Very high	97.1	Very high	17 Å²	17	71 Å²	71	10%	0.103	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.8	175.7	74.4	0	0	0	0	109.6	E29 V31 I39 E101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.73Å; E29-V37 HydrophobicContact CG-CG2 3.66Å; V31-V37 HydrophobicContact CG1-CB 4.33Å; V31-V37 HydrophobicContact CG1-CG2 4.33Å; V37-I39 HydrophobicContact CG1-CD1 4.45Å; V37-I39 HydrophobicContact CG1-CG1 4.42Å; V37-E101 CarbonylContact O-C 3.48Å; V37-E101 VanDerWaalsContact O-CA 3.28Å; V37-E101 WeakPolarHBondContact O-CA 3.29Å; V37-L102 HydrophobicContact CG1-CB 4.14Å; V37-L102 HydrophobicContact CG1-CD1 4.44Å; V37-L102 PolarHBondContact N-O 3.27Å; V37-L102 PolarHBondContact O-N 2.81Å; V37-L105 HydrophobicContact CB-CD1 3.99Å; V37-L105 HydrophobicContact CG1-CD1 3.74Å
38	K	98.1	Very high	97.1	Very high	118 Å²	118	68.8 Å²	68.8	51%	0.513	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111.8	175.2	-172.4	176.7	-178	179.1	0	109.8	Y99 M100	K38-Y99 HydrophobicContact CD-CD1 4.38Å; K38-Y99 HydrophobicContact CG-CD1 4.31Å; K38-M100 WeakPolarHBondContact CA-O 3.34Å
39	I	98.4	Very high	97.1	Very high	17 Å²	17	64.3 Å²	64.3	9%	0.087	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.5	-179.8	-58.5	162.9	0	0	0	108.1	V37 W55 Y99 M100 Y113	V37-I39 HydrophobicContact CG1-CD1 4.45Å; V37-I39 HydrophobicContact CG1-CG1 4.42Å; I39-W55 HydrophobicContact CB-CH2 4.27Å; I39-W55 HydrophobicContact CB-CZ3 4.13Å; I39-W55 HydrophobicContact CG2-CH2 3.9Å; I39-W55 HydrophobicContact CG2-CZ3 3.67Å; I39-Y99 CarbonylContact O-C 3.55Å; I39-Y99 VanDerWaalsContact O-CA 3.23Å; I39-Y99 WeakPolarHBondContact O-CA 3.42Å; I39-M100 HydrophobicContact CD1-CE 3.69Å; I39-M100 PolarHBondContact N-O 2.88Å; I39-M100 PolarHBondContact O-N 3.4Å; I39-Y113 HydrophobicContact CD1-CD2 4.22Å; I39-Y113 HydrophobicContact CD1-CG 4.06Å
40	S	98.6	Very high	97.1	Very high	33 Å²	33	63.6 Å²	63.6	23%	0.231	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.8	173.6	65.5	0	0	0	0	111.1	Q25 S26 A98 Y99	Q25-S40 CarbonylContact C-O 3.54Å; Q25-S40 WeakPolarHBondContact CA-O 3.47Å; S26-S40 WeakPolarHBondContact CB-OG 3.5Å; S26-S40 PolarHBondContact N-O 2.88Å; S26-S40 PolarHBondContact OG-N 2.83Å; S40-A98 CarbonylContact C-O 3.51Å; S40-Y99 VanDerWaalsContact CB-CE1 3.47Å
41	C	98.7	Very high	97.2	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	107.2	170.2	177.6	0	0	0	0	109.3	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.33Å; Q25-C41 HydrophobicContact CG-CB 4.21Å; C41-W55 HydrophobicContact CB-CH2 3.79Å; C41-W55 HydrophobicContact CB-CZ2 4.01Å; C41-T97 WeakPolarHBondContact O-CA 3.47Å; C41-A98 PolarHBondContact N-O 2.02Å; C41-A98 PolarHBondContact O-N 2.86Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.46Å; C41-C115 WeakPolarHBondContact SG-CB 3.45Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.96Å
42	K	98.5	Very high	97.3	Very high	117 Å²	117	62.9 Å²	62.9	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.5	179.9	-175.6	176.1	-177.4	-179.8	0	110.2	L23 Q24 T97	L23-K42 WeakPolarHBondContact CA-O 3.39Å; Q24-K42 PolarHBondContact N-O 2.95Å; Q24-K42 PolarHBondContact O-N 2.78Å; K42-T97 HydrophobicContact CB-CG2 4.49Å
43	A	98.2	Very high	97.4	Very high	5 Å²	5	54.7 Å²	54.7	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.1	-179.5	0	0	0	0	0	112.2	L23 Y46 F48 M53 S96	L23-A43 HydrophobicContact CD2-CB 3.84Å; A43-Y46 HydrophobicContact CB-CE1 3.63Å; A43-Y46 VanDerWaalsContact CB-OH 3.27Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; A43-F48 HydrophobicContact CB-CB 4.49Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 3.93Å; A43-F48 HydrophobicContact CB-CG 4.22Å; A43-M53 HydrophobicContact CB-CE 4.49Å; A43-S96 PolarHBondContact N-O 2.85Å; A43-S96 WeakPolarHBondContact O-CB 3.14Å
44	S	97.1	Very high	97.6	Very high	54 Å²	54	51.2 Å²	51.2	38%	0.378	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.5	170.3	52.9	0	0	0	0	111.8	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.87Å; Q22-S44 PolarHBondContact O-N 2.88Å; S44-Y46 WeakPolarHBondContact O-CD1 3.28Å
45	G	95.7	Very high	97.6	Very high	27 Å²	27	48.6 Å²	48.6	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	83	10.2	179.3	0	0	0	0	0	115.6	S19 E20	S19-G45 VanDerWaalsContact OG-CA 3.25Å; S19-G45 WeakPolarHBondContact OG-CA 3.32Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
46	Y	94.3	Very high	97.7	Very high	40 Å²	40	48.1 Å²	48.1	16%	0.157	25%	0.253	C	S	.	.	S	Bend	trans	-158.2	166.6	172.5	68.9	-79.7	0	0	0	111.5	V21 L23 A43 S44 F48 Y51 R117	V21-Y46 HydrophobicContact CG1-CD1 3.84Å; V21-Y46 HydrophobicContact CG1-CE1 4Å; V21-Y46 HydrophobicContact CG2-CD1 4.35Å; L23-Y46 HydrophobicContact CD2-CE1 4.22Å; A43-Y46 HydrophobicContact CB-CE1 3.63Å; A43-Y46 VanDerWaalsContact CB-OH 3.27Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; S44-Y46 WeakPolarHBondContact O-CD1 3.28Å; Y46-F48 HydrophobicContact CE2-CD2 4.41Å; Y46-F48 PolarHBondContact O-N 2.84Å; Y46-Y51 AromaticContact CD2-CD2 3.76Å; Y46-Y51 HydrophobicContact CD2-CD2 3.76Å; Y46-Y51 HydrophobicContact CD2-CE2 4.35Å; Y46-Y51 HydrophobicContact CE2-CD2 4.05Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.29Å; Y46-R117 VanDerWaalsContact CE2-CD 3.46Å
47	T	96.1	Very high	97.7	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	24%	0.235	S	C	.	.			trans	-68.6	101	170.1	-51.4	0	0	0	0	109.5	T49 D50	T47-T49 WeakPolarHBondContact CG2-OG1 3.49Å; T47-T49 PolarHBondContact O-N 2.77Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T47-D50 WeakPolarHBondContact CB-OD2 3.38Å; T47-D50 HydrophobicContact CG2-CB 4.39Å; T47-D50 VanDerWaalsContact CG2-CG 3.44Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.42Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.4Å; T47-D50 WeakPolarHBondContact O-CB 3.3Å; T47-D50 PolarHBondContact O-N 2.97Å
48	F	97.1	Very high	97.6	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.031	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-54	-34.7	-173.8	175.6	-124.3	0	0	0	114	A43 Y46 D50 M53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.49Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 3.93Å; A43-F48 HydrophobicContact CB-CG 4.22Å; Y46-F48 HydrophobicContact CE2-CD2 4.41Å; Y46-F48 PolarHBondContact O-N 2.84Å; F48-D50 VanDerWaalsContact C-N 3.26Å; F48-D50 PolarHBondContact O-N 2.97Å; F48-M53 HydrophobicContact CE2-CE 3.84Å; F48-P72 HydrophobicContact CD1-CB 3.91Å; F48-P72 HydrophobicContact CD2-CB 4.46Å; F48-P72 HydrophobicContact CD2-CG 4.31Å; F48-P72 HydrophobicContact CE1-CB 3.65Å; F48-P72 HydrophobicContact CE1-CG 4.22Å; F48-P72 HydrophobicContact CE2-CB 4.19Å; F48-P72 HydrophobicContact CE2-CG 3.88Å; F48-P72 HydrophobicContact CG-CB 4.34Å; F48-P72 HydrophobicContact CZ-CB 3.79Å; F48-P72 HydrophobicContact CZ-CG 3.84Å; F48-V91 HydrophobicContact CE1-CG2 3.39Å; F48-V91 HydrophobicContact CZ-CG2 3.71Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-A98 HydrophobicContact CZ-CB 4.17Å
49	T	97.8	Very high	97.5	Very high	45 Å²	45	43.6 Å²	43.6	28%	0.276	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-71.9	-13.7	179.9	51.4	0	0	0	0	114.9	T47 Y51 N73 K93	T47-T49 WeakPolarHBondContact CG2-OG1 3.49Å; T47-T49 PolarHBondContact O-N 2.77Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T49-Y51 VanDerWaalsContact C-N 3.32Å; T49-Y51 PolarHBondContact O-N 3.18Å; T49-N73 WeakPolarHBondContact O-CB 3.3Å; T49-K93 HydrophobicContact CG2-CD 4.4Å
50	D	97.1	Very high	97.2	Very high	106 Å²	106	50.8 Å²	50.8	57%	0.567	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-85.3	-6.8	-173.9	-66.4	-2.8	0	0	0	112.9	T47 F48	T47-D50 WeakPolarHBondContact CB-OD2 3.38Å; T47-D50 HydrophobicContact CG2-CB 4.39Å; T47-D50 VanDerWaalsContact CG2-CG 3.44Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.42Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.4Å; T47-D50 WeakPolarHBondContact O-CB 3.3Å; T47-D50 PolarHBondContact O-N 2.97Å; F48-D50 VanDerWaalsContact C-N 3.26Å; F48-D50 PolarHBondContact O-N 2.97Å
51	Y	97.1	Very high	96.8	Very high	102 Å²	102	53.6 Å²	53.6	40%	0.4	29%	0.294	S	S	.	.	S	Bend	trans	-139.7	145.3	-174.4	-62	-95.3	0	0	0	112.6	Y46 T49 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.76Å; Y46-Y51 HydrophobicContact CD2-CD2 3.76Å; Y46-Y51 HydrophobicContact CD2-CE2 4.35Å; Y46-Y51 HydrophobicContact CE2-CD2 4.05Å; T49-Y51 VanDerWaalsContact C-N 3.32Å; T49-Y51 PolarHBondContact O-N 3.18Å; Y51-P72 WeakPolarHBondContact O-CD 3.21Å; Y51-P72 WeakPolarHBondContact O-CG 3.47Å; Y51-R117 HydrophobicContact CD1-CG 4.05Å; Y51-R117 VanDerWaalsContact CD2-CZ 3.46Å; Y51-R117 VanDerWaalsContact CE2-CZ 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.91Å; Y51-R117 PolarHBondContact OH-NH2 2.76Å; Y51-R117 VanDerWaalsContact OH-NH2 3.09Å
52	Y	98.3	Very high	96.4	Very high	117 Å²	117	60.9 Å²	60.9	46%	0.459	33%	0.326	S	S	.	.			trans	-65.7	146.3	171.9	-70.9	-97.5	0	0	0	110.9	D69 I70 N71	Y52-D69 HydrophobicContact CD1-CB 4.44Å; Y52-D69 VanDerWaalsContact CD1-OD1 3.26Å; Y52-D69 WeakPolarHBondContact CD1-OD1 3.23Å; Y52-I70 WeakPolarHBondContact CA-O 3.37Å; Y52-N71 HydrophobicContact CD1-CB 3.82Å; Y52-N71 HydrophobicContact CE1-CB 3.42Å; Y52-N71 VanDerWaalsContact CE1-CB 3.42Å; Y52-N71 PolarHBondContact OH-ND2 2.9Å; Y52-N71 VanDerWaalsContact OH-ND2 3.12Å
53	M	98.5	Very high	96.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.4	167.5	-174.2	64.4	64.8	0	0	109.1	L23 A43 F48 D69 I70 A98 C115	L23-M53 HydrophobicContact CD1-CE 4.44Å; L23-M53 HydrophobicContact CD1-SD 4.25Å; L23-M53 HydrophobicContact CD2-CE 3.71Å; A43-M53 HydrophobicContact CB-CE 4.49Å; F48-M53 HydrophobicContact CE2-CE 3.84Å; M53-D69 CarbonylContact O-C 3.58Å; M53-D69 VanDerWaalsContact O-CA 3.28Å; M53-D69 WeakPolarHBondContact O-CA 3.43Å; M53-I70 HydrophobicContact CB-CG2 3.89Å; M53-I70 PolarHBondContact N-O 2.83Å; M53-I70 PolarHBondContact O-N 2.98Å; M53-A98 HydrophobicContact CB-CB 4.05Å; M53-A98 HydrophobicContact CG-CB 3.68Å; M53-C115 HydrophobicContact CG-CB 4.41Å; M53-C115 HydrophobicContact SD-CB 3.73Å
54	N	98.6	Very high	96	Very high	39 Å²	39	65 Å²	65	21%	0.209	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.1	176.9	-66.2	-85	0	0	0	110.7	W66 C115 A116	N54-W66 PolarHBondContact OD1-NE1 3.04Å; N54-C115 CarbonylContact O-C 3.58Å; N54-C115 VanDerWaalsContact O-CA 3.28Å; N54-C115 WeakPolarHBondContact O-CA 3.17Å; N54-A116 HydrophobicContact CB-CB 4.37Å; N54-A116 WeakPolarHBondContact CB-O 3.25Å; N54-A116 PolarHBondContact N-O 3.48Å; N54-A116 PolarHBondContact O-N 3.45Å
55	W	98.7	Very high	96	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.4	172.5	-68.2	88.2	0	0	0	110.5	I39 C41 I67 G68 L89 A98 M100 Y114 C115	I39-W55 HydrophobicContact CB-CH2 4.27Å; I39-W55 HydrophobicContact CB-CZ3 4.13Å; I39-W55 HydrophobicContact CG2-CH2 3.9Å; I39-W55 HydrophobicContact CG2-CZ3 3.67Å; C41-W55 HydrophobicContact CB-CH2 3.79Å; C41-W55 HydrophobicContact CB-CZ2 4.01Å; W55-I67 HydrophobicContact CB-CB 4.11Å; W55-I67 HydrophobicContact CB-CD1 4.3Å; W55-I67 WeakPolarHBondContact O-CB 3.41Å; W55-I67 PolarHBondContact O-N 3.11Å; W55-G68 PolarHBondContact N-O 2.65Å; W55-L89 HydrophobicContact CG-CD2 4Å; W55-A98 HydrophobicContact CZ2-CB 4.3Å; W55-M100 HydrophobicContact CB-SD 3.84Å; W55-M100 HydrophobicContact CD2-CB 3.63Å; W55-M100 HydrophobicContact CD2-CE 4.26Å; W55-M100 HydrophobicContact CD2-CG 4.35Å; W55-M100 HydrophobicContact CD2-SD 3.93Å; W55-M100 HydrophobicContact CE3-CB 3.79Å; W55-M100 HydrophobicContact CE3-CE 3.6Å; W55-M100 HydrophobicContact CE3-CG 4.48Å; W55-M100 HydrophobicContact CE3-SD 3.89Å; W55-M100 HydrophobicContact CG-CB 4.23Å; W55-M100 HydrophobicContact CG-SD 3.93Å; W55-M100 HydrophobicContact CH2-CB 3.92Å; W55-M100 HydrophobicContact CZ2-CB 3.79Å; W55-M100 HydrophobicContact CZ3-CB 3.93Å; W55-M100 HydrophobicContact CZ3-CE 4.07Å; W55-Y114 WeakPolarHBondContact CA-O 3.37Å; W55-C115 HydrophobicContact CD2-CB 4.41Å; W55-C115 HydrophobicContact CE3-CB 4.19Å; W55-C115 HydrophobicContact CH2-CB 4.2Å; W55-C115 HydrophobicContact CZ2-CB 4.38Å; W55-C115 HydrophobicContact CZ3-CB 4.09Å
56	V	98.3	Very high	96.1	Very high	25 Å²	25	67.5 Å²	67.5	15%	0.152	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	-174.6	-175	0	0	0	0	110	L64 E65 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.95Å; V56-L64 HydrophobicContact CG1-CG 4.34Å; V56-E65 WeakPolarHBondContact CA-O 3.26Å; V56-Y113 WeakPolarHBondContact O-CA 3.43Å; V56-Y114 PolarHBondContact N-O 3.13Å; V56-Y114 PolarHBondContact O-N 3.2Å
57	K	97.7	Very high	96.3	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.057	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.5	174.2	-173.6	-178.7	-178.8	-172.7	0	110.1	S59 E65 I67 F83 E108 D109 A111 Y113	K57-S59 VanDerWaalsContact CE-OG 3.3Å; K57-S59 WeakPolarHBondContact CE-OG 3.4Å; K57-E65 PolarHBondContact N-O 2.95Å; K57-E65 PolarHBondContact O-N 3.29Å; K57-I67 HydrophobicContact CB-CD1 4.04Å; K57-I67 HydrophobicContact CB-CG1 4.17Å; K57-F83 HydrophobicContact CB-CZ 4.34Å; K57-F83 HydrophobicContact CD-CE1 4.05Å; K57-F83 HydrophobicContact CD-CZ 3.8Å; K57-E108 PolarHBondContact NZ-O 3.43Å; K57-D109 IonicContact NZ-OD1 2.69Å; K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.6Å; K57-Y113 HydrophobicContact CB-CD1 4.21Å; K57-Y113 HydrophobicContact CB-CE1 3.96Å; K57-Y113 HydrophobicContact CD-CE1 4.06Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.73Å
58	Q	97.5	Very high	96.4	Very high	73 Å²	73	61.9 Å²	61.9	34%	0.341	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	103.4	167.6	-168	179.7	33.4	0	0	109.7	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.62Å; Q58-L64 HydrophobicContact CG-CD2 3.77Å; Q58-A111 WeakPolarHBondContact O-CA 3.43Å; Q58-A111 VanDerWaalsContact O-CB 3.26Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; Q58-V112 HydrophobicContact CB-CB 4.41Å; Q58-V112 PolarHBondContact N-O 3.07Å; Q58-V112 PolarHBondContact O-N 3.08Å; Q58-Y114 HydrophobicContact CB-CD2 4.39Å; Q58-Y114 HydrophobicContact CB-CE2 3.86Å; Q58-Y114 PolarHBondContact OE1-OH 3.12Å
59	S	95.4	Very high	96.4	Very high	16 Å²	16	62.9 Å²	62.9	11%	0.112	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	151.1	174.5	-48.5	0	0	0	0	110.3	K57 G61 K62	K57-S59 VanDerWaalsContact CE-OG 3.3Å; K57-S59 WeakPolarHBondContact CE-OG 3.4Å; S59-G61 PolarHBondContact O-N 2.98Å; S59-K62 PolarHBondContact O-N 3.36Å; S59-K62 VanDerWaalsContact O-N 3.08Å
60	H	92.2	Very high	96.5	Very high	168 Å²	168	60.8 Å²	60.8	78%	0.778	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	123.4	176.6	-79.5	-95.8	0	0	0	111.6	K62	H60-K62 VanDerWaalsContact C-N 3.26Å; H60-K62 PolarHBondContact O-N 3.12Å
61	G	90.5	Very high	96.6	Very high	92 Å²	92	56.7 Å²	56.7	95%	0.948	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	10.2	178.1	0	0	0	0	0	115.8	S59	S59-G61 PolarHBondContact O-N 2.98Å
62	K	90	Very high	96.6	Very high	153 Å²	153	51.8 Å²	51.8	67%	0.665	28%	0.276	S	S	*	.	S	Bend	trans	-116.1	161.6	178.9	-59.8	-170	179.9	178	0	111.8	S59 H60	S59-K62 PolarHBondContact O-N 3.36Å; S59-K62 VanDerWaalsContact O-N 3.08Å; H60-K62 VanDerWaalsContact C-N 3.26Å; H60-K62 PolarHBondContact O-N 3.12Å
63	S	91	Very high	96.6	Very high	102 Å²	102	50.8 Å²	50.8	71%	0.713	28%	0.279	S	S	*	.			trans	-64	161.7	170.2	59.5	0	0	0	0	111.5
64	L	96.2	Very high	96.6	Very high	107 Å²	107	56 Å²	56	56%	0.56	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.2	169.6	-66.7	173.8	0	0	0	110	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.95Å; V56-L64 HydrophobicContact CG1-CG 4.34Å; Q58-L64 HydrophobicContact CB-CD2 3.62Å; Q58-L64 HydrophobicContact CG-CD2 3.77Å
65	E	97.2	Very high	96.5	Very high	44 Å²	44	55.7 Å²	55.7	21%	0.206	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.4	178.1	-170.8	172.1	-138.5	0	0	109.6	V56 K57 I67 K82 F83	V56-E65 WeakPolarHBondContact CA-O 3.26Å; K57-E65 PolarHBondContact N-O 2.95Å; K57-E65 PolarHBondContact O-N 3.29Å; E65-I67 PolarHBondContact O-N 3.44Å; E65-K82 WeakPolarHBondContact OE1-CD 3.37Å; E65-K82 WeakPolarHBondContact OE1-CE 3.41Å; E65-K82 IonicContact OE1-NZ 2.6Å; E65-K82 PolarHBondContact OE1-NZ 3.08Å; E65-F83 HydrophobicContact CG-CE2 3.89Å; E65-F83 HydrophobicContact CG-CZ 4.43Å
66	W	97.9	Very high	96.5	Very high	90 Å²	90	57.4 Å²	57.4	34%	0.341	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130	176.7	-178.5	82.7	0	0	0	110.3	N54 G68 D69 N80	N54-W66 PolarHBondContact OD1-NE1 3.04Å; W66-G68 PolarHBondContact NE1-O 2.61Å; W66-D69 HydrophobicContact CZ2-CB 4Å; W66-D69 VanDerWaalsContact CZ2-OD2 3.29Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.42Å; W66-N80 HydrophobicContact CE3-CB 3.84Å; W66-N80 HydrophobicContact CZ3-CB 4.06Å; W66-N80 VanDerWaalsContact CZ3-N 3.29Å; W66-N80 WeakPolarHBondContact O-CB 3.28Å; W66-N80 PolarHBondContact O-ND2 2.78Å
67	I	98.4	Very high	96.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-48.3	-178	-62.6	173.9	0	0	0	110.2	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.11Å; W55-I67 HydrophobicContact CB-CD1 4.3Å; W55-I67 WeakPolarHBondContact O-CB 3.41Å; W55-I67 PolarHBondContact O-N 3.11Å; K57-I67 HydrophobicContact CB-CD1 4.04Å; K57-I67 HydrophobicContact CB-CG1 4.17Å; E65-I67 PolarHBondContact O-N 3.44Å; I67-N80 PolarHBondContact O-N 3.46Å; I67-F83 HydrophobicContact CB-CD2 4.25Å; I67-F83 HydrophobicContact CB-CG 4.22Å; I67-F83 HydrophobicContact CD1-CE1 4.44Å; I67-F83 HydrophobicContact CG1-CD1 4.14Å; I67-F83 HydrophobicContact CG1-CD2 4.14Å; I67-F83 HydrophobicContact CG1-CE1 4.02Å; I67-F83 HydrophobicContact CG1-CE2 4.02Å; I67-F83 HydrophobicContact CG1-CG 4.2Å; I67-F83 HydrophobicContact CG1-CZ 3.96Å; I67-F83 HydrophobicContact CG2-CB 3.78Å; I67-F83 HydrophobicContact CG2-CD1 4.01Å; I67-F83 HydrophobicContact CG2-CD2 4.27Å; I67-F83 HydrophobicContact CG2-CG 3.75Å; I67-A87 HydrophobicContact CG2-CB 3.82Å; I67-M100 HydrophobicContact CD1-CE 4.03Å; I67-M100 HydrophobicContact CD1-SD 3.62Å; I67-M100 HydrophobicContact CG2-SD 4Å; I67-Y113 HydrophobicContact CD1-CD1 3.64Å; I67-Y113 HydrophobicContact CD1-CE1 3.75Å
68	G	98.5	Very high	96.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	172.4	-169.5	0	0	0	0	0	111.9	W55 W66 S78	W55-G68 PolarHBondContact N-O 2.65Å; W66-G68 PolarHBondContact NE1-O 2.61Å; G68-S78 CarbonylContact C-O 3.5Å; G68-S78 WeakPolarHBondContact CA-O 3.02Å
69	D	98.7	Very high	96.6	Very high	28 Å²	28	60.5 Å²	60.5	15%	0.15	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.5	172.1	70.6	70.6	0	0	0	110.8	Y52 M53 W66 T77 S78 L89	Y52-D69 HydrophobicContact CD1-CB 4.44Å; Y52-D69 VanDerWaalsContact CD1-OD1 3.26Å; Y52-D69 WeakPolarHBondContact CD1-OD1 3.23Å; M53-D69 CarbonylContact O-C 3.58Å; M53-D69 VanDerWaalsContact O-CA 3.28Å; M53-D69 WeakPolarHBondContact O-CA 3.43Å; W66-D69 HydrophobicContact CZ2-CB 4Å; W66-D69 VanDerWaalsContact CZ2-OD2 3.29Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.42Å; D69-T77 VanDerWaalsContact O-CA 3.27Å; D69-T77 WeakPolarHBondContact O-CA 3.27Å; D69-S78 PolarHBondContact N-O 2.81Å; D69-S78 PolarHBondContact O-N 2.88Å; D69-S78 WeakPolarHBondContact OD2-CB 3.04Å; D69-L89 WeakPolarHBondContact O-CD1 3.31Å
70	I	98.7	Very high	96.7	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.8	168.7	-175.5	165	0	0	0	109.4	Y52 M53 P72 G76 T77 L89 T90 V91 A98	Y52-I70 WeakPolarHBondContact CA-O 3.37Å; M53-I70 HydrophobicContact CB-CG2 3.89Å; M53-I70 PolarHBondContact N-O 2.83Å; M53-I70 PolarHBondContact O-N 2.98Å; I70-P72 VanDerWaalsContact O-CD 3.23Å; I70-P72 WeakPolarHBondContact O-CD 3.39Å; I70-G76 CarbonylContact C-O 3.57Å; I70-G76 WeakPolarHBondContact CA-O 3.27Å; I70-T77 HydrophobicContact CB-CG2 4.07Å; I70-T77 HydrophobicContact CD1-CG2 3.94Å; I70-T77 HydrophobicContact CG1-CG2 3.85Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.37Å; I70-L89 HydrophobicContact CD1-CB 4.27Å; I70-L89 HydrophobicContact CG2-CB 4.44Å; I70-T90 VanDerWaalsContact CD1-C 3.49Å; I70-V91 HydrophobicContact CD1-CB 3.91Å; I70-V91 HydrophobicContact CD1-CG1 4.04Å; I70-A98 HydrophobicContact CG2-CB 4.44Å
71	N	98.4	Very high	96.9	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.102	35%	0.353	C	S	.	.			trans	-82.1	109.1	169.1	-172.1	-31.1	0	0	0	109.5	Y52 N73 N74 G75 G76	Y52-N71 HydrophobicContact CD1-CB 3.82Å; Y52-N71 HydrophobicContact CE1-CB 3.42Å; Y52-N71 VanDerWaalsContact CE1-CB 3.42Å; Y52-N71 PolarHBondContact OH-ND2 2.9Å; Y52-N71 VanDerWaalsContact OH-ND2 3.12Å; N71-N73 PolarHBondContact O-N 2.82Å; N71-N73 WeakPolarHBondContact OD1-CA 3.47Å; N71-N73 WeakPolarHBondContact OD1-CB 3.45Å; N71-N73 PolarHBondContact OD1-N 2.93Å; N71-N74 WeakPolarHBondContact CB-OD1 3.09Å; N71-N74 PolarHBondContact O-N 2.69Å; N71-G75 VanDerWaalsContact O-CA 3.27Å; N71-G75 WeakPolarHBondContact O-CA 3.41Å; N71-G75 PolarHBondContact O-N 3.08Å; N71-G76 PolarHBondContact N-O 2.97Å
72	P	98.4	Very high	97.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.5	-179.4	-21.4	36.8	0	0	0	113.4	F48 Y51 I70 V91 K93	F48-P72 HydrophobicContact CD1-CB 3.91Å; F48-P72 HydrophobicContact CD2-CB 4.46Å; F48-P72 HydrophobicContact CD2-CG 4.31Å; F48-P72 HydrophobicContact CE1-CB 3.65Å; F48-P72 HydrophobicContact CE1-CG 4.22Å; F48-P72 HydrophobicContact CE2-CB 4.19Å; F48-P72 HydrophobicContact CE2-CG 3.88Å; F48-P72 HydrophobicContact CG-CB 4.34Å; F48-P72 HydrophobicContact CZ-CB 3.79Å; F48-P72 HydrophobicContact CZ-CG 3.84Å; Y51-P72 WeakPolarHBondContact O-CD 3.21Å; Y51-P72 WeakPolarHBondContact O-CG 3.47Å; I70-P72 VanDerWaalsContact O-CD 3.23Å; I70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-V91 HydrophobicContact CB-CG2 3.95Å; P72-K93 WeakPolarHBondContact O-CD 3.41Å; P72-K93 WeakPolarHBondContact O-CE 3.43Å
73	N	98	Very high	97.5	Very high	96 Å²	96	56.5 Å²	56.5	51%	0.513	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-43.1	177.5	-173	27.2	0	0	0	112.6	T49 N71 K93	T49-N73 WeakPolarHBondContact O-CB 3.3Å; N71-N73 PolarHBondContact O-N 2.82Å; N71-N73 WeakPolarHBondContact OD1-CA 3.47Å; N71-N73 WeakPolarHBondContact OD1-CB 3.45Å; N71-N73 PolarHBondContact OD1-N 2.93Å; N73-K93 WeakPolarHBondContact O-CE 3.49Å; N73-K93 PolarHBondContact O-NZ 2.93Å
74	N	97.6	Very high	97.7	Very high	109 Å²	109	58.2 Å²	58.2	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-4.7	-173.8	65.8	16.3	0	0	0	114.6	N71 G76	N71-N74 WeakPolarHBondContact CB-OD1 3.09Å; N71-N74 PolarHBondContact O-N 2.69Å; N74-G76 VanDerWaalsContact C-N 3.27Å; N74-G76 PolarHBondContact O-N 3.09Å; N74-G76 PolarHBondContact OD1-N 2.79Å
75	G	97.8	Very high	97.7	Very high	33 Å²	33	56.6 Å²	56.6	34%	0.34	31%	0.313	S	S	.	.			trans	77.5	7	-178.5	0	0	0	0	0	114.5	N71	N71-G75 VanDerWaalsContact O-CA 3.27Å; N71-G75 WeakPolarHBondContact O-CA 3.41Å; N71-G75 PolarHBondContact O-N 3.08Å
76	G	98.3	Very high	97.7	Very high	36 Å²	36	56.8 Å²	56.8	37%	0.371	31%	0.313	S	S	.	.			trans	-63.5	136.5	175.6	0	0	0	0	0	111.2	I70 N71 N74	I70-G76 CarbonylContact C-O 3.57Å; I70-G76 WeakPolarHBondContact CA-O 3.27Å; N71-G76 PolarHBondContact N-O 2.97Å; N74-G76 VanDerWaalsContact C-N 3.27Å; N74-G76 PolarHBondContact O-N 3.09Å; N74-G76 PolarHBondContact OD1-N 2.79Å
77	T	98.6	Very high	97.7	Very high	62 Å²	62	52.7 Å²	52.7	38%	0.38	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141	-175.7	57.3	0	0	0	0	111.9	D69 I70 Y79 L89	D69-T77 VanDerWaalsContact O-CA 3.27Å; D69-T77 WeakPolarHBondContact O-CA 3.27Å; I70-T77 HydrophobicContact CB-CG2 4.07Å; I70-T77 HydrophobicContact CD1-CG2 3.94Å; I70-T77 HydrophobicContact CG1-CG2 3.85Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.3Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.38Å; T77-L89 HydrophobicContact CG2-CB 3.95Å
78	S	98.4	Very high	97.7	Very high	57 Å²	57	54.7 Å²	54.7	40%	0.399	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.8	167.2	-170.1	0	0	0	0	110.1	G68 D69	G68-S78 CarbonylContact C-O 3.5Å; G68-S78 WeakPolarHBondContact CA-O 3.02Å; D69-S78 PolarHBondContact N-O 2.81Å; D69-S78 PolarHBondContact O-N 2.88Å; D69-S78 WeakPolarHBondContact OD2-CB 3.04Å
79	Y	98.5	Very high	97.7	Very high	57 Å²	57	55 Å²	55	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145	-177.5	-64.2	-90.3	0	0	0	111.4	T77 A87 L89	T77-Y79 VanDerWaalsContact OG1-CE2 3.3Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.38Å; Y79-A87 HydrophobicContact CD1-CB 4.39Å; Y79-A87 HydrophobicContact CE1-CB 4.15Å; Y79-A87 WeakPolarHBondContact CE1-O 3.15Å; Y79-L89 HydrophobicContact CE1-CD1 4.14Å; Y79-L89 HydrophobicContact CE1-CG 3.76Å; Y79-L89 PolarHBondContact OH-N 3.25Å
80	N	97.3	Very high	97.7	Very high	42 Å²	42	56.5 Å²	56.5	23%	0.225	32%	0.322	C	S	.	.			trans	-66.1	137.6	157	-179	-30.6	0	0	0	109	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.84Å; W66-N80 HydrophobicContact CZ3-CB 4.06Å; W66-N80 VanDerWaalsContact CZ3-N 3.29Å; W66-N80 WeakPolarHBondContact O-CB 3.28Å; W66-N80 PolarHBondContact O-ND2 2.78Å; I67-N80 PolarHBondContact O-N 3.46Å; N80-K82 PolarHBondContact O-N 2.94Å; N80-K82 VanDerWaalsContact O-N 3.11Å; N80-K82 PolarHBondContact OD1-N 3.31Å; N80-F83 HydrophobicContact CB-CD2 4.12Å; N80-F83 PolarHBondContact O-N 3.18Å; N80-K84 PolarHBondContact O-N 2.77Å; N80-K84 VanDerWaalsContact O-N 3.12Å
81	Q	97.1	Very high	97.7	Very high	145 Å²	145	58.2 Å²	58.2	68%	0.678	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-34	-177.9	-69	-66.4	4.9	0	0	113.6	F83 K84	Q81-F83 PolarHBondContact O-N 3.48Å; Q81-K84 PolarHBondContact O-N 2.88Å
82	K	95.1	Very high	97.7	Very high	150 Å²	150	60 Å²	60	65%	0.652	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.5	178	-70.5	178	179.7	-178.9	0	114	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.37Å; E65-K82 WeakPolarHBondContact OE1-CE 3.41Å; E65-K82 IonicContact OE1-NZ 2.6Å; E65-K82 PolarHBondContact OE1-NZ 3.08Å; N80-K82 PolarHBondContact O-N 2.94Å; N80-K82 VanDerWaalsContact O-N 3.11Å; N80-K82 PolarHBondContact OD1-N 3.31Å
83	F	97	Very high	97.6	Very high	7 Å²	7	65 Å²	65	3%	0.031	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-7.4	-178.1	-64.5	-85.5	0	0	0	112.8	K57 E65 I67 N80 Q81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.34Å; K57-F83 HydrophobicContact CD-CE1 4.05Å; K57-F83 HydrophobicContact CD-CZ 3.8Å; E65-F83 HydrophobicContact CG-CE2 3.89Å; E65-F83 HydrophobicContact CG-CZ 4.43Å; I67-F83 HydrophobicContact CB-CD2 4.25Å; I67-F83 HydrophobicContact CB-CG 4.22Å; I67-F83 HydrophobicContact CD1-CE1 4.44Å; I67-F83 HydrophobicContact CG1-CD1 4.14Å; I67-F83 HydrophobicContact CG1-CD2 4.14Å; I67-F83 HydrophobicContact CG1-CE1 4.02Å; I67-F83 HydrophobicContact CG1-CE2 4.02Å; I67-F83 HydrophobicContact CG1-CG 4.2Å; I67-F83 HydrophobicContact CG1-CZ 3.96Å; I67-F83 HydrophobicContact CG2-CB 3.78Å; I67-F83 HydrophobicContact CG2-CD1 4.01Å; I67-F83 HydrophobicContact CG2-CD2 4.27Å; I67-F83 HydrophobicContact CG2-CG 3.75Å; N80-F83 HydrophobicContact CB-CD2 4.12Å; N80-F83 PolarHBondContact O-N 3.18Å; Q81-F83 PolarHBondContact O-N 3.48Å; F83-G85 PolarHBondContact O-N 2.95Å; F83-K86 PolarHBondContact O-N 2.86Å; F83-A87 HydrophobicContact CB-CB 4.13Å; F83-A87 PolarHBondContact O-N 3.37Å
84	K	95.8	Very high	97.5	Very high	138 Å²	138	65.8 Å²	65.8	60%	0.6	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-60.2	121.3	176.1	-167.6	174.3	-176.5	177.5	0	109.7	N80 Q81 K86	N80-K84 PolarHBondContact O-N 2.77Å; N80-K84 VanDerWaalsContact O-N 3.12Å; Q81-K84 PolarHBondContact O-N 2.88Å; K84-K86 VanDerWaalsContact C-N 3.27Å; K84-K86 PolarHBondContact O-N 2.99Å
85	G	95.2	Very high	97.6	Very high	74 Å²	74	62.3 Å²	62.3	76%	0.763	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-16.5	-176	0	0	0	0	0	114.9	F83	F83-G85 PolarHBondContact O-N 2.95Å
86	K	97.2	Very high	97.6	Very high	48 Å²	48	62.5 Å²	62.5	21%	0.209	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-42.1	173.5	-169.8	169.5	-167.4	171.6	0	112.4	F83 K84 L102 R103 D109	F83-K86 PolarHBondContact O-N 2.86Å; K84-K86 VanDerWaalsContact C-N 3.27Å; K84-K86 PolarHBondContact O-N 2.99Å; K86-L102 WeakPolarHBondContact O-CA 3.41Å; K86-R103 WeakPolarHBondContact CG-O 3.39Å; K86-R103 PolarHBondContact O-N 3.42Å; K86-D109 WeakPolarHBondContact CE-OD1 3.47Å; K86-D109 WeakPolarHBondContact CE-OD2 3.27Å; K86-D109 IonicContact NZ-OD1 3.69Å; K86-D109 PolarHBondContact NZ-OD1 3.4Å; K86-D109 IonicContact NZ-OD2 2.77Å; K86-D109 PolarHBondContact NZ-OD2 3.48Å
87	A	98.3	Very high	97.6	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.4	175.4	0	0	0	0	0	110.8	I67 Y79 F83 E101 L102	I67-A87 HydrophobicContact CG2-CB 3.82Å; Y79-A87 HydrophobicContact CD1-CB 4.39Å; Y79-A87 HydrophobicContact CE1-CB 4.15Å; Y79-A87 WeakPolarHBondContact CE1-O 3.15Å; F83-A87 HydrophobicContact CB-CB 4.13Å; F83-A87 PolarHBondContact O-N 3.37Å; A87-E101 CarbonylContact C-O 3.59Å; A87-E101 VanDerWaalsContact CA-O 3.32Å; A87-E101 WeakPolarHBondContact CA-O 3.01Å; A87-L102 HydrophobicContact CB-CD2 3.77Å
88	T	98.6	Very high	97.6	Very high	42 Å²	42	58.2 Å²	58.2	26%	0.258	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.3	168	-61.3	0	0	0	0	108.5	T90 E101	T88-T90 HydrophobicContact CG2-CG2 4.24Å; T88-E101 PolarHBondContact N-O 3.45Å; T88-E101 PolarHBondContact O-N 3.2Å
89	L	98.7	Very high	97.6	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.7	177.8	-52.7	-176.9	0	0	0	109.9	W55 D69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4Å; D69-L89 WeakPolarHBondContact O-CD1 3.31Å; I70-L89 HydrophobicContact CB-CB 4.07Å; I70-L89 HydrophobicContact CB-CD1 4.37Å; I70-L89 HydrophobicContact CD1-CB 4.27Å; I70-L89 HydrophobicContact CG2-CB 4.44Å; T77-L89 HydrophobicContact CG2-CB 3.95Å; Y79-L89 HydrophobicContact CE1-CD1 4.14Å; Y79-L89 HydrophobicContact CE1-CG 3.76Å; Y79-L89 PolarHBondContact OH-N 3.25Å; L89-Y99 WeakPolarHBondContact CA-O 3Å; L89-M100 HydrophobicContact CD2-CB 3.71Å; L89-M100 HydrophobicContact CD2-CG 3.64Å; L89-M100 HydrophobicContact CD2-SD 4.23Å
90	T	98.6	Very high	97.6	Very high	59 Å²	59	55.4 Å²	55.4	36%	0.362	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.8	177.2	57.5	0	0	0	0	110.8	I70 T88 Y99	I70-T90 VanDerWaalsContact CD1-C 3.49Å; T88-T90 HydrophobicContact CG2-CG2 4.24Å; T90-Y99 PolarHBondContact N-O 2.63Å; T90-Y99 PolarHBondContact O-N 3.2Å
91	V	98.5	Very high	97.7	Very high	38 Å²	38	55.9 Å²	55.9	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.5	-178.5	64.7	0	0	0	0	110.9	F48 I70 P72 K93	F48-V91 HydrophobicContact CE1-CG2 3.39Å; F48-V91 HydrophobicContact CZ-CG2 3.71Å; I70-V91 HydrophobicContact CD1-CB 3.91Å; I70-V91 HydrophobicContact CD1-CG1 4.04Å; P72-V91 HydrophobicContact CB-CG2 3.95Å; V91-K93 HydrophobicContact CG2-CG 4.35Å
92	D	98.1	Very high	97.7	Very high	55 Å²	55	49 Å²	49	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	103.5	162.5	174.8	10.8	0	0	0	108.7	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 3.33Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 3.47Å; D92-S94 PolarHBondContact OD1-OG 2.91Å; D92-S94 PolarHBondContact OD2-OG 2.83Å; D92-S95 VanDerWaalsContact OD2-CB 3.31Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 2.88Å; D92-S96 PolarHBondContact O-N 3Å; D92-T97 PolarHBondContact N-O 2.82Å; D92-T97 PolarHBondContact O-N 2.96Å; D92-Y99 HydrophobicContact CB-CE2 3.97Å
93	K	97	Very high	97.9	Very high	105 Å²	105	47 Å²	47	46%	0.457	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.7	-178.4	-56.4	-174.5	-160.6	178.4	0	112.2	T49 P72 N73 V91 S95 S96	T49-K93 HydrophobicContact CG2-CD 4.4Å; P72-K93 WeakPolarHBondContact O-CD 3.41Å; P72-K93 WeakPolarHBondContact O-CE 3.43Å; N73-K93 WeakPolarHBondContact O-CE 3.49Å; N73-K93 PolarHBondContact O-NZ 2.93Å; V91-K93 HydrophobicContact CG2-CG 4.35Å; K93-S95 VanDerWaalsContact C-N 3.3Å; K93-S95 PolarHBondContact O-N 2.88Å; K93-S96 PolarHBondContact O-N 3.5Å
94	S	96.9	Very high	97.8	Very high	113 Å²	113	50.6 Å²	50.6	79%	0.79	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-32.6	-175.6	72.9	0	0	0	0	112.1	D92	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 3.33Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 3.47Å; D92-S94 PolarHBondContact OD1-OG 2.91Å; D92-S94 PolarHBondContact OD2-OG 2.83Å
95	S	97.8	Very high	97.9	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.2	178.6	66.9	0	0	0	0	113.7	D92 K93 T97	D92-S95 VanDerWaalsContact OD2-CB 3.31Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 2.88Å; K93-S95 VanDerWaalsContact C-N 3.3Å; K93-S95 PolarHBondContact O-N 2.88Å; S95-T97 PolarHBondContact O-N 2.9Å; S95-T97 PolarHBondContact O-OG1 2.88Å; S95-T97 VanDerWaalsContact O-OG1 3.08Å; S95-T97 WeakPolarHBondContact OG-CB 3.47Å; S95-T97 PolarHBondContact OG-OG1 2.9Å; S95-T97 VanDerWaalsContact OG-OG1 3.09Å
96	S	98.2	Very high	98	Very high	38 Å²	38	44.2 Å²	44.2	27%	0.266	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.5	-171.4	-62	0	0	0	0	113	A43 F48 D92 K93	A43-S96 PolarHBondContact N-O 2.85Å; A43-S96 WeakPolarHBondContact O-CB 3.14Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 3Å; K93-S96 PolarHBondContact O-N 3.5Å
97	T	98.7	Very high	97.8	Very high	8 Å²	8	47 Å²	47	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	-174.3	-54.1	0	0	0	0	111.2	C41 K42 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.47Å; K42-T97 HydrophobicContact CB-CG2 4.49Å; D92-T97 PolarHBondContact N-O 2.82Å; D92-T97 PolarHBondContact O-N 2.96Å; S95-T97 PolarHBondContact O-N 2.9Å; S95-T97 PolarHBondContact O-OG1 2.88Å; S95-T97 VanDerWaalsContact O-OG1 3.08Å; S95-T97 WeakPolarHBondContact OG-CB 3.47Å; S95-T97 PolarHBondContact OG-OG1 2.9Å; S95-T97 VanDerWaalsContact OG-OG1 3.09Å; T97-Y99 HydrophobicContact CG2-CD1 4.34Å; T97-Y99 HydrophobicContact CG2-CD2 4.29Å; T97-Y99 HydrophobicContact CG2-CE1 3.78Å; T97-Y99 HydrophobicContact CG2-CE2 3.69Å
98	A	98.7	Very high	97.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	148.5	166.4	0	0	0	0	0	109.8	S40 C41 F48 M53 W55 I70	S40-A98 CarbonylContact C-O 3.51Å; C41-A98 PolarHBondContact N-O 2.02Å; C41-A98 PolarHBondContact O-N 2.86Å; F48-A98 HydrophobicContact CZ-CB 4.17Å; M53-A98 HydrophobicContact CB-CB 4.05Å; M53-A98 HydrophobicContact CG-CB 3.68Å; W55-A98 HydrophobicContact CZ2-CB 4.3Å; I70-A98 HydrophobicContact CG2-CB 4.44Å
99	Y	98.7	Very high	97.4	Very high	54 Å²	54	53 Å²	53	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.2	175.7	-55.1	-94.1	0	0	0	111	K38 I39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.38Å; K38-Y99 HydrophobicContact CG-CD1 4.31Å; I39-Y99 CarbonylContact O-C 3.55Å; I39-Y99 VanDerWaalsContact O-CA 3.23Å; I39-Y99 WeakPolarHBondContact O-CA 3.42Å; S40-Y99 VanDerWaalsContact CB-CE1 3.47Å; L89-Y99 WeakPolarHBondContact CA-O 3Å; T90-Y99 PolarHBondContact N-O 2.63Å; T90-Y99 PolarHBondContact O-N 3.2Å; D92-Y99 HydrophobicContact CB-CE2 3.97Å; T97-Y99 HydrophobicContact CG2-CD1 4.34Å; T97-Y99 HydrophobicContact CG2-CD2 4.29Å; T97-Y99 HydrophobicContact CG2-CE1 3.78Å; T97-Y99 HydrophobicContact CG2-CE2 3.69Å
100	M	98.6	Very high	97.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.1	166.6	178	177.4	69.3	0	0	108.9	K38 I39 W55 I67 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.34Å; I39-M100 HydrophobicContact CD1-CE 3.69Å; I39-M100 PolarHBondContact N-O 2.88Å; I39-M100 PolarHBondContact O-N 3.4Å; W55-M100 HydrophobicContact CB-SD 3.84Å; W55-M100 HydrophobicContact CD2-CB 3.63Å; W55-M100 HydrophobicContact CD2-CE 4.26Å; W55-M100 HydrophobicContact CD2-CG 4.35Å; W55-M100 HydrophobicContact CD2-SD 3.93Å; W55-M100 HydrophobicContact CE3-CB 3.79Å; W55-M100 HydrophobicContact CE3-CE 3.6Å; W55-M100 HydrophobicContact CE3-CG 4.48Å; W55-M100 HydrophobicContact CE3-SD 3.89Å; W55-M100 HydrophobicContact CG-CB 4.23Å; W55-M100 HydrophobicContact CG-SD 3.93Å; W55-M100 HydrophobicContact CH2-CB 3.92Å; W55-M100 HydrophobicContact CZ2-CB 3.79Å; W55-M100 HydrophobicContact CZ3-CB 3.93Å; W55-M100 HydrophobicContact CZ3-CE 4.07Å; I67-M100 HydrophobicContact CD1-CE 4.03Å; I67-M100 HydrophobicContact CD1-SD 3.62Å; I67-M100 HydrophobicContact CG2-SD 4Å; L89-M100 HydrophobicContact CD2-CB 3.71Å; L89-M100 HydrophobicContact CD2-CG 3.64Å; L89-M100 HydrophobicContact CD2-SD 4.23Å; M100-L102 HydrophobicContact CE-CD1 3.89Å; M100-L102 HydrophobicContact CE-CD2 4.47Å; M100-L102 HydrophobicContact CE-CG 4.11Å; M100-L102 HydrophobicContact CG-CD2 4.34Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.15Å; M100-L102 HydrophobicContact SD-CG 4.33Å; M100-Y113 HydrophobicContact CE-CD1 3.57Å; M100-Y113 HydrophobicContact CE-CE1 4.21Å; M100-Y113 HydrophobicContact CE-CG 4.06Å
101	E	98.5	Very high	97.2	Very high	53 Å²	53	55.2 Å²	55.2	25%	0.248	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.2	168.4	-167.8	-169.6	162.1	0	0	109.1	V37 A87 T88 R103	V37-E101 CarbonylContact O-C 3.48Å; V37-E101 VanDerWaalsContact O-CA 3.28Å; V37-E101 WeakPolarHBondContact O-CA 3.29Å; A87-E101 CarbonylContact C-O 3.59Å; A87-E101 VanDerWaalsContact CA-O 3.32Å; A87-E101 WeakPolarHBondContact CA-O 3.01Å; T88-E101 PolarHBondContact N-O 3.45Å; T88-E101 PolarHBondContact O-N 3.2Å; E101-R103 HydrophobicContact CG-CG 4.38Å; E101-R103 IonicContact OE1-CZ 3.57Å; E101-R103 IonicContact OE1-NE 2.88Å; E101-R103 PolarHBondContact OE1-NE 3.1Å; E101-R103 IonicContact OE1-NH2 3.38Å; E101-R103 PolarHBondContact OE1-NH2 2.88Å; E101-R103 IonicContact OE2-CZ 3.68Å; E101-R103 IonicContact OE2-NE 3.62Å; E101-R103 IonicContact OE2-NH2 2.89Å; E101-R103 PolarHBondContact OE2-NH2 3.24Å
102	L	98.1	Very high	97.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.5	171.2	-63.8	168.1	0	0	0	108.8	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.54Å; S36-L102 WeakPolarHBondContact CA-O 3.35Å; S36-L102 WeakPolarHBondContact CB-O 3.14Å; V37-L102 HydrophobicContact CG1-CB 4.14Å; V37-L102 HydrophobicContact CG1-CD1 4.44Å; V37-L102 PolarHBondContact N-O 3.27Å; V37-L102 PolarHBondContact O-N 2.81Å; K86-L102 WeakPolarHBondContact O-CA 3.41Å; A87-L102 HydrophobicContact CB-CD2 3.77Å; M100-L102 HydrophobicContact CE-CD1 3.89Å; M100-L102 HydrophobicContact CE-CD2 4.47Å; M100-L102 HydrophobicContact CE-CG 4.11Å; M100-L102 HydrophobicContact CG-CD2 4.34Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.15Å; M100-L102 HydrophobicContact SD-CG 4.33Å; L102-L105 HydrophobicContact CB-CD2 3.75Å; L102-L105 HydrophobicContact CB-CG 4.45Å; L102-L105 HydrophobicContact CD1-CD2 4.31Å; L102-Y113 HydrophobicContact CD1-CD1 4.13Å; L102-Y113 HydrophobicContact CD1-CE1 3.49Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.49Å; L102-Y113 HydrophobicContact CD1-CE2 4.1Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.46Å
103	R	97.7	Very high	97.2	Very high	108 Å²	108	55.3 Å²	55.3	41%	0.408	32%	0.315	S	S	.	.			trans	-111.1	158	-176.4	-60.4	-176.1	176.7	158	8	112.3	S36 K86 E101 L105	S36-R103 WeakPolarHBondContact OG-CA 3.49Å; K86-R103 WeakPolarHBondContact CG-O 3.39Å; K86-R103 PolarHBondContact O-N 3.42Å; E101-R103 HydrophobicContact CG-CG 4.38Å; E101-R103 IonicContact OE1-CZ 3.57Å; E101-R103 IonicContact OE1-NE 2.88Å; E101-R103 PolarHBondContact OE1-NE 3.1Å; E101-R103 IonicContact OE1-NH2 3.38Å; E101-R103 PolarHBondContact OE1-NH2 2.88Å; E101-R103 IonicContact OE2-CZ 3.68Å; E101-R103 IonicContact OE2-NE 3.62Å; E101-R103 IonicContact OE2-NH2 2.89Å; E101-R103 PolarHBondContact OE2-NH2 3.24Å; R103-L105 VanDerWaalsContact C-N 3.31Å; R103-L105 PolarHBondContact O-N 2.98Å
104	S	96.9	Very high	97.2	Very high	82 Å²	82	55 Å²	55	57%	0.573	31%	0.312	S	S	*	.	S	Bend	trans	50.6	50.9	174.7	-55.3	0	0	0	0	112.2	A35	A35-S104 PolarHBondContact O-N 3.06Å
105	L	97.3	Very high	97.3	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.068	28%	0.278	C	S	.	.			trans	-65.1	147	-173.3	-70.2	168.8	0	0	0	112.3	V31 P33 G34 A35 V37 L102 R103 D109	V31-L105 HydrophobicContact CG2-CD1 3.59Å; P33-L105 CarbonylContact C-O 3.54Å; P33-L105 WeakPolarHBondContact CA-O 3.26Å; G34-L105 PolarHBondContact N-O 2.97Å; A35-L105 WeakPolarHBondContact O-CB 3.43Å; A35-L105 WeakPolarHBondContact O-CG 3.23Å; A35-L105 PolarHBondContact O-N 2.76Å; V37-L105 HydrophobicContact CB-CD1 3.99Å; V37-L105 HydrophobicContact CG1-CD1 3.74Å; L102-L105 HydrophobicContact CB-CD2 3.75Å; L102-L105 HydrophobicContact CB-CG 4.45Å; L102-L105 HydrophobicContact CD1-CD2 4.31Å; R103-L105 VanDerWaalsContact C-N 3.31Å; R103-L105 PolarHBondContact O-N 2.98Å; L105-D109 HydrophobicContact CD2-CB 3.57Å
106	T	96.1	Very high	97.3	Very high	65 Å²	65	50.4 Å²	50.4	40%	0.399	28%	0.282	S	S	.	.			trans	-125.8	171.6	179.1	64.7	0	0	0	0	109.6	E108 D109	T106-E108 PolarHBondContact O-N 3.37Å; T106-E108 PolarHBondContact OG1-N 3.12Å; T106-D109 PolarHBondContact N-OD2 3.09Å; T106-D109 WeakPolarHBondContact O-CB 2.92Å; T106-D109 PolarHBondContact O-N 2.91Å; T106-D109 PolarHBondContact OG1-OD2 3.12Å
107	S	94.4	Very high	97	Very high	106 Å²	106	53.6 Å²	53.6	74%	0.741	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27.7	173.4	50.4	0	0	0	0	112.9	D109 S110	S107-D109 PolarHBondContact O-N 2.99Å; S107-S110 WeakPolarHBondContact O-CB 3.22Å; S107-S110 PolarHBondContact O-N 3.35Å
108	E	93.5	Very high	96.9	Very high	158 Å²	158	55.9 Å²	55.9	74%	0.738	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-68.3	-16	176.4	-59.5	-173.7	174.8	0	0	113.4	K57 T106	K57-E108 PolarHBondContact NZ-O 3.43Å; T106-E108 PolarHBondContact O-N 3.37Å; T106-E108 PolarHBondContact OG1-N 3.12Å
109	D	95.2	Very high	96.8	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.07	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-89.8	-2.7	177.4	-54.9	-63.5	0	0	0	113.2	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.69Å; K86-D109 WeakPolarHBondContact CE-OD1 3.47Å; K86-D109 WeakPolarHBondContact CE-OD2 3.27Å; K86-D109 IonicContact NZ-OD1 3.69Å; K86-D109 PolarHBondContact NZ-OD1 3.4Å; K86-D109 IonicContact NZ-OD2 2.77Å; K86-D109 PolarHBondContact NZ-OD2 3.48Å; L105-D109 HydrophobicContact CD2-CB 3.57Å; T106-D109 PolarHBondContact N-OD2 3.09Å; T106-D109 WeakPolarHBondContact O-CB 2.92Å; T106-D109 PolarHBondContact O-N 2.91Å; T106-D109 PolarHBondContact OG1-OD2 3.12Å; S107-D109 PolarHBondContact O-N 2.99Å; D109-A111 PolarHBondContact O-N 3.49Å; D109-Y113 WeakPolarHBondContact O-CE2 3.46Å; D109-Y113 PolarHBondContact O-OH 3.31Å
110	S	95.9	Very high	96.7	Very high	88 Å²	88	59.1 Å²	59.1	62%	0.615	32%	0.321	S	S	*	.			trans	-65.7	102.9	172	-174.1	0	0	0	0	110	S107	S107-S110 WeakPolarHBondContact O-CB 3.22Å; S107-S110 PolarHBondContact O-N 3.35Å
111	A	97	Very high	96.6	Very high	26 Å²	26	62.5 Å²	62.5	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	165.9	-171.3	0	0	0	0	0	110.9	K57 Q58 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.6Å; Q58-A111 WeakPolarHBondContact O-CA 3.43Å; Q58-A111 VanDerWaalsContact O-CB 3.26Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; D109-A111 PolarHBondContact O-N 3.49Å; A111-Y113 HydrophobicContact CB-CD2 4.41Å; A111-Y113 HydrophobicContact CB-CE2 3.88Å; A111-Y113 WeakPolarHBondContact O-CD2 3.36Å
112	V	97.3	Very high	96.5	Very high	68 Å²	68	63.1 Å²	63.1	41%	0.412	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.3	161.7	-173.1	0	0	0	0	108	Q58 Y114	Q58-V112 HydrophobicContact CB-CB 4.41Å; Q58-V112 PolarHBondContact N-O 3.07Å; Q58-V112 PolarHBondContact O-N 3.08Å; V112-Y114 HydrophobicContact CB-CE2 4Å; V112-Y114 HydrophobicContact CG1-CD1 4.47Å; V112-Y114 HydrophobicContact CG1-CD2 4.25Å; V112-Y114 HydrophobicContact CG1-CE1 3.85Å; V112-Y114 HydrophobicContact CG1-CE2 3.59Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.47Å
113	Y	98	Very high	96.4	Very high	27 Å²	27	67.3 Å²	67.3	11%	0.106	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.1	178.1	-70.3	-88.2	0	0	0	108.9	Q25 I39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.43Å; Q25-Y113 PolarHBondContact OE1-O 3.14Å; I39-Y113 HydrophobicContact CD1-CD2 4.22Å; I39-Y113 HydrophobicContact CD1-CG 4.06Å; V56-Y113 WeakPolarHBondContact O-CA 3.43Å; K57-Y113 HydrophobicContact CB-CD1 4.21Å; K57-Y113 HydrophobicContact CB-CE1 3.96Å; K57-Y113 HydrophobicContact CD-CE1 4.06Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.73Å; I67-Y113 HydrophobicContact CD1-CD1 3.64Å; I67-Y113 HydrophobicContact CD1-CE1 3.75Å; M100-Y113 HydrophobicContact CE-CD1 3.57Å; M100-Y113 HydrophobicContact CE-CE1 4.21Å; M100-Y113 HydrophobicContact CE-CG 4.06Å; L102-Y113 HydrophobicContact CD1-CD1 4.13Å; L102-Y113 HydrophobicContact CD1-CE1 3.49Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.49Å; L102-Y113 HydrophobicContact CD1-CE2 4.1Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.46Å; D109-Y113 WeakPolarHBondContact O-CE2 3.46Å; D109-Y113 PolarHBondContact O-OH 3.31Å; A111-Y113 HydrophobicContact CB-CD2 4.41Å; A111-Y113 HydrophobicContact CB-CE2 3.88Å; A111-Y113 WeakPolarHBondContact O-CD2 3.36Å
114	Y	98.1	Very high	96.3	Very high	99 Å²	99	64.4 Å²	64.4	39%	0.388	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.2	-179.9	-63.1	-78	0	0	0	110.5	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.37Å; V56-Y114 PolarHBondContact N-O 3.13Å; V56-Y114 PolarHBondContact O-N 3.2Å; Q58-Y114 HydrophobicContact CB-CD2 4.39Å; Q58-Y114 HydrophobicContact CB-CE2 3.86Å; Q58-Y114 PolarHBondContact OE1-OH 3.12Å; V112-Y114 HydrophobicContact CB-CE2 4Å; V112-Y114 HydrophobicContact CG1-CD1 4.47Å; V112-Y114 HydrophobicContact CG1-CD2 4.25Å; V112-Y114 HydrophobicContact CG1-CE1 3.85Å; V112-Y114 HydrophobicContact CG1-CE2 3.59Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.47Å
115	C	98.3	Very high	96.3	Very high	12 Å²	12	63 Å²	63	8%	0.081	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.5	157.3	64.7	0	0	0	0	110.1	Q25 C41 M53 N54 W55	Q25-C115 HydrophobicContact CG-CB 4.49Å; Q25-C115 WeakPolarHBondContact CG-SG 3.41Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.46Å; C41-C115 WeakPolarHBondContact SG-CB 3.45Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.96Å; M53-C115 HydrophobicContact CG-CB 4.41Å; M53-C115 HydrophobicContact SD-CB 3.73Å; N54-C115 CarbonylContact O-C 3.58Å; N54-C115 VanDerWaalsContact O-CA 3.28Å; N54-C115 WeakPolarHBondContact O-CA 3.17Å; W55-C115 HydrophobicContact CD2-CB 4.41Å; W55-C115 HydrophobicContact CE3-CB 4.19Å; W55-C115 HydrophobicContact CH2-CB 4.2Å; W55-C115 HydrophobicContact CZ2-CB 4.38Å; W55-C115 HydrophobicContact CZ3-CB 4.09Å
116	A	97.8	Very high	96.2	Very high	39 Å²	39	67.2 Å²	67.2	32%	0.322	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.3	179.3	0	0	0	0	0	110.9	N54	N54-A116 HydrophobicContact CB-CB 4.37Å; N54-A116 WeakPolarHBondContact CB-O 3.25Å; N54-A116 PolarHBondContact N-O 3.48Å; N54-A116 PolarHBondContact O-N 3.45Å
117	R	92.7	Very high	96.2	Very high	105 Å²	105	67.4 Å²	67.4	40%	0.396	37%	0.371	S	S	.	.			trans	-97.8	0	169.9	167.9	176.9	165.7	-154.2	-6.6	109.9	L23 Y46 Y51	L23-R117 HydrophobicContact CD1-CB 4.46Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.29Å; Y46-R117 VanDerWaalsContact CE2-CD 3.46Å; Y51-R117 HydrophobicContact CD1-CG 4.05Å; Y51-R117 VanDerWaalsContact CD2-CZ 3.46Å; Y51-R117 VanDerWaalsContact CE2-CZ 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.91Å; Y51-R117 PolarHBondContact OH-NH2 2.76Å; Y51-R117 VanDerWaalsContact OH-NH2 3.09Å

Retrieved 117 of 117 residues in 88 ms (Link to these results)

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