A0A075B5U7_MOUSE Loading...

Immunoglobulin heavy variable 1-22

AlphaFold DB , UniProt , Accession A0A075B5U7, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-22, Length 117 aa.

						>A0A075B5U7_MOUSE|A0A075B5U7|Ighv1-22
MGWSWIFLFLLSETAGVLSEVQLQQSGPELVKPGASVKMSCKASGYTFTDYNMHWVKQSHGKSLEWIGYINPNNGGTSYNQKFKGKATLTVNKSSSTAYMELRSLTSEDSAVYYCAR
					

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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	48.9	Very low	59.9	Low	251 Å²	251	167.9 Å²	167.9	100%	1.236	84%	0.841	S	S	*	*				0	79.9	0	-55.2	164.8	-177	0	0	105.9
2	G	52.3	Low	60.2	Low	68 Å²	68	162.7 Å²	162.7	70%	0.701	83%	0.832	S	S	*	*			cis	70.5	106.5	40.3	0	0	0	0	0	108.5
3	W	51.1	Low	59.9	Low	226 Å²	226	164.3 Å²	164.3	86%	0.856	83%	0.834	S	S	*	*			cis	-154.3	145.3	20.5	-78.6	-51.4	0	0	0	109.6	W5	W3-W5 HydrophobicContact CE3-CZ2 4.46Å; W3-W5 AromaticContact CE3-NE1 3.97Å
4	S	65.9	Low	60.2	Low	127 Å²	127	161.8 Å²	161.8	89%	0.888	83%	0.831	S	S	*	*			trans	-110.6	115.8	165.4	-153.7	0	0	0	0	108.5
5	W	59.5	Low	60.5	Low	182 Å²	182	156.7 Å²	156.7	69%	0.689	82%	0.823	S	S	*	*			trans	-88.2	117.3	-170.9	-70.8	45.7	0	0	0	109.7	W3 F7	W3-W5 HydrophobicContact CE3-CZ2 4.46Å; W3-W5 AromaticContact CE3-NE1 3.97Å; W5-F7 HydrophobicContact CB-CE2 4.31Å; W5-F7 PolarHBondContact O-N 3.4Å
6	I	70.9	Confident	60.6	Low	153 Å²	153	151.4 Å²	151.4	79%	0.785	82%	0.818	S	S	*	*			trans	-79.9	112.4	168	-67	170	0	0	0	107.4	L8	I6-L8 HydrophobicContact CG2-CG 4.15Å; I6-L8 PolarHBondContact O-N 3.03Å
7	F	64	Low	61	Low	165 Å²	165	150.1 Å²	150.1	72%	0.724	82%	0.816	S	S	*	*			trans	-83.4	103.2	167.4	-72.8	-83.1	0	0	0	109	W5	W5-F7 HydrophobicContact CB-CE2 4.31Å; W5-F7 PolarHBondContact O-N 3.4Å
8	L	63.5	Low	61.7	Low	155 Å²	155	151.3 Å²	151.3	81%	0.812	82%	0.821	S	S	*	*			trans	-85.7	110.5	164.7	-81.6	162.3	0	0	0	108.5	I6 L10	I6-L8 HydrophobicContact CG2-CG 4.15Å; I6-L8 PolarHBondContact O-N 3.03Å; L8-L10 PolarHBondContact O-N 3.26Å
9	F	59.3	Low	62.9	Low	189 Å²	189	147.7 Å²	147.7	83%	0.829	81%	0.808	S	S	*	*			trans	-79.4	107.9	166.6	-83.5	-88.3	0	0	0	109
10	L	63	Low	64.4	Low	168 Å²	168	147.5 Å²	147.5	88%	0.88	80%	0.801	S	S	*	*			trans	-87.9	106.7	164.1	-77.5	163.8	0	0	0	107.9	L8 S12	L8-L10 PolarHBondContact O-N 3.26Å; L10-S12 PolarHBondContact O-N 2.77Å
11	L	61.1	Low	65.9	Low	163 Å²	163	143.3 Å²	143.3	85%	0.853	78%	0.78	S	S	*	*			trans	-74.2	104.9	166.3	-73	164.3	0	0	0	107.7	E13	L11-E13 PolarHBondContact O-N 3.08Å
12	S	63.6	Low	68.2	Low	105 Å²	105	136 Å²	136	73%	0.734	74%	0.743	S	S	*	*			trans	-85.4	100.9	168.2	64.9	0	0	0	0	109	L10 T14	L10-S12 PolarHBondContact O-N 2.77Å; S12-T14 PolarHBondContact O-N 3.48Å
13	E	56.3	Low	70.4	Confident	184 Å²	184	135.2 Å²	135.2	86%	0.86	72%	0.723	S	S	*	*			trans	-73	102.7	164.7	-68.8	-178.2	-177.5	0	0	108.2	L11 A15	L11-E13 PolarHBondContact O-N 3.08Å; E13-A15 PolarHBondContact O-N 2.91Å
14	T	64	Low	72.6	Confident	129 Å²	129	131 Å²	131	79%	0.791	71%	0.712	S	S	*	*			trans	-73.8	85.2	169.1	56.6	0	0	0	0	108.2	S12 G16	S12-T14 PolarHBondContact O-N 3.48Å; T14-G16 PolarHBondContact O-N 3.35Å; T14-G16 VanDerWaalsContact O-N 3.08Å
15	A	64	Low	74.2	Confident	86 Å²	86	127.5 Å²	127.5	71%	0.711	68%	0.682	S	S	*	*			trans	-62.9	109.2	161.6	0	0	0	0	0	107.2	E13 V17	E13-A15 PolarHBondContact O-N 2.91Å; A15-V17 PolarHBondContact O-N 2.86Å; A15-V17 VanDerWaalsContact O-N 3.12Å
16	G	61.9	Low	76	Confident	72 Å²	72	120.7 Å²	120.7	74%	0.742	66%	0.662	S	S	*	*			trans	-58.9	116.3	173.6	0	0	0	0	0	109.3	T14 L18	T14-G16 PolarHBondContact O-N 3.35Å; T14-G16 VanDerWaalsContact O-N 3.08Å; G16-L18 PolarHBondContact O-N 2.99Å; G16-L18 VanDerWaalsContact O-N 3.1Å
17	V	68.3	Low	77.3	Confident	129 Å²	129	116 Å²	116	78%	0.782	65%	0.651	S	S	*	*			trans	-75.3	101.3	179.3	-178.6	0	0	0	0	108.3	A15 S19	A15-V17 PolarHBondContact O-N 2.86Å; A15-V17 VanDerWaalsContact O-N 3.12Å; V17-S19 PolarHBondContact O-N 2.91Å
18	L	73.3	Confident	78.8	Confident	172 Å²	172	114.7 Å²	114.7	90%	0.901	66%	0.659	S	S	*	*			trans	-67.5	115.5	162.9	-68.7	172.4	0	0	0	107.4	G16	G16-L18 PolarHBondContact O-N 2.99Å; G16-L18 VanDerWaalsContact O-N 3.1Å
19	S	84.4	Confident	80.4	Confident	82 Å²	82	113.2 Å²	113.2	57%	0.573	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-72.4	133.8	174.9	-74.6	0	0	0	0	110.5	V17 V21	V17-S19 PolarHBondContact O-N 2.91Å; S19-V21 PolarHBondContact O-N 3.37Å
20	E	93.5	Very high	82.2	Confident	143 Å²	143	112.5 Å²	112.5	67%	0.668	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-70.7	128.3	172.4	-173.6	-177.4	-161.5	0	0	110.1	Q22 G45	E20-Q22 HydrophobicContact CG-CG 4.17Å; E20-Q22 PolarHBondContact O-N 2.78Å; E20-Q22 PolarHBondContact OE2-NE2 2.57Å; E20-G45 WeakPolarHBondContact O-CA 3.35Å
21	V	95.3	Very high	83.8	Confident	61 Å²	61	107.2 Å²	107.2	37%	0.37	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-73.1	122.7	173.9	173.1	0	0	0	0	109.1	S19 Y46	S19-V21 PolarHBondContact O-N 3.37Å; V21-Y46 HydrophobicContact CG1-CD1 3.91Å; V21-Y46 HydrophobicContact CG1-CE1 4.09Å; V21-Y46 HydrophobicContact CG2-CD1 4.34Å
22	Q	97.4	Very high	85.4	Confident	97 Å²	97	107.7 Å²	107.7	45%	0.453	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.6	140.4	178.7	-63.4	-176.8	-15.1	0	0	111.4	E20 A43 S44	E20-Q22 HydrophobicContact CG-CG 4.17Å; E20-Q22 PolarHBondContact O-N 2.78Å; E20-Q22 PolarHBondContact OE2-NE2 2.57Å; Q22-A43 WeakPolarHBondContact O-CA 3.38Å; Q22-S44 PolarHBondContact N-O 2.87Å; Q22-S44 PolarHBondContact O-N 2.88Å
23	L	98.2	Very high	87	Confident	52 Å²	52	108 Å²	108	27%	0.272	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	106.2	174	-64.3	-175.2	0	0	0	109	K42 A43 Y46 M53	L23-K42 WeakPolarHBondContact CA-O 3.49Å; L23-A43 HydrophobicContact CD2-CB 3.83Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; L23-M53 HydrophobicContact CD1-CE 4.49Å; L23-M53 HydrophobicContact CD1-SD 4.29Å; L23-M53 HydrophobicContact CD2-CE 3.71Å
24	Q	98.3	Very high	88.9	Confident	138 Å²	138	101.8 Å²	101.8	65%	0.645	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.8	113.7	-178.2	-176.9	60.4	57.2	0	0	110.6	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.37Å; Q24-K42 PolarHBondContact N-O 3.19Å; Q24-K42 PolarHBondContact O-N 3.47Å
25	Q	98.5	Very high	90.6	Very high	53 Å²	53	97.3 Å²	97.3	25%	0.248	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	155.3	175.8	-73.4	-175.6	-123.7	0	0	112.9	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.54Å; Q25-S40 VanDerWaalsContact CA-O 3.22Å; Q25-S40 WeakPolarHBondContact CA-O 3.16Å; Q25-C41 HydrophobicContact CG-CB 4.23Å; Q25-Y113 PolarHBondContact NE2-O 3.19Å; Q25-Y113 PolarHBondContact OE1-O 3.08Å; Q25-C115 WeakPolarHBondContact CG-SG 3.42Å
26	S	97.5	Very high	92.2	Very high	39 Å²	39	96.1 Å²	96.1	27%	0.273	57%	0.569	S	S	.	*			trans	-60.7	157.7	164.6	52.6	0	0	0	0	111	M39 S40	S26-M39 WeakPolarHBondContact OG-CA 3.15Å; S26-M39 WeakPolarHBondContact OG-CB 3.44Å; S26-S40 WeakPolarHBondContact CB-OG 3.14Å; S26-S40 PolarHBondContact N-O 2.95Å; S26-S40 PolarHBondContact OG-N 3.45Å; S26-S40 VanDerWaalsContact OG-N 3.12Å
27	G	97.3	Very high	93.9	Very high	53 Å²	53	93.6 Å²	93.6	55%	0.546	54%	0.539	S	S	.	.			trans	-66.5	178.4	-178.6	0	0	0	0	0	114.6
28	P	97.2	Very high	95.3	Very high	138 Å²	138	93 Å²	93	90%	0.896	53%	0.526	S	S	*	.			trans	-65.4	145.8	176.9	29.3	-35.1	0	0	0	111.3
29	E	96.8	Very high	96.5	Very high	125 Å²	125	85.7 Å²	85.7	58%	0.584	49%	0.487	S	S	*	.			trans	-124.8	130.6	-178.1	-72.3	-74	179.6	0	0	109.9	V37	E29-V37 HydrophobicContact CB-CG2 3.64Å; E29-V37 HydrophobicContact CG-CG2 3.63Å
30	L	96.6	Very high	97.2	Very high	174 Å²	174	83.4 Å²	83.4	91%	0.911	47%	0.471	S	S	*	.			trans	-108.9	117.6	171.4	-177.6	66.6	0	0	0	108.8
31	V	95.6	Very high	97.4	Very high	56 Å²	56	76.6 Å²	76.6	34%	0.339	44%	0.439	S	S	.	.			trans	-129.3	151.8	-172.9	-63	0	0	0	0	111.3	A35 V37 L105	V31-A35 HydrophobicContact CB-CB 4.31Å; V31-V37 HydrophobicContact CG1-CB 4.27Å; V31-V37 HydrophobicContact CG1-CG2 4.25Å; V31-L105 HydrophobicContact CG2-CD1 3.56Å
32	K	96.3	Very high	97.6	Very high	174 Å²	174	79.3 Å²	79.3	76%	0.757	45%	0.446	S	S	*	.			trans	-75.9	150.1	174.7	-64.9	-179.6	-178.8	178.5	0	110.3	G34 A35	K32-G34 PolarHBondContact O-N 3.37Å; K32-A35 WeakPolarHBondContact O-CB 3.41Å; K32-A35 PolarHBondContact O-N 3.18Å; K32-A35 VanDerWaalsContact O-N 3.08Å
33	P	96.2	Very high	97.6	Very high	112 Å²	112	75 Å²	75	73%	0.727	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140	168.9	-25.3	34.7	0	0	0	111.7	A35 L105	P33-A35 VanDerWaalsContact C-N 3.25Å; P33-A35 PolarHBondContact O-N 2.81Å; P33-L105 CarbonylContact C-O 3.55Å; P33-L105 WeakPolarHBondContact CA-O 2.97Å
34	G	97.3	Very high	97.6	Very high	53 Å²	53	74.9 Å²	74.9	55%	0.546	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-15.1	-174.9	0	0	0	0	0	114.8	K32 L105	K32-G34 PolarHBondContact O-N 3.37Å; G34-L105 PolarHBondContact N-O 3.04Å
35	A	97.9	Very high	97.4	Very high	35 Å²	35	69.9 Å²	69.9	29%	0.289	42%	0.416	S	S	.	.			trans	-71.2	172	176.3	0	0	0	0	0	112.2	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.31Å; K32-A35 WeakPolarHBondContact O-CB 3.41Å; K32-A35 PolarHBondContact O-N 3.18Å; K32-A35 VanDerWaalsContact O-N 3.08Å; P33-A35 VanDerWaalsContact C-N 3.25Å; P33-A35 PolarHBondContact O-N 2.81Å; A35-S104 PolarHBondContact O-N 3.03Å; A35-L105 PolarHBondContact O-N 3.24Å
36	S	97.8	Very high	97.3	Very high	60 Å²	60	69.2 Å²	69.2	42%	0.42	41%	0.411	S	S	.	.			trans	-115.9	149.4	171.9	-53.4	0	0	0	0	109.8	L102 R103	S36-L102 CarbonylContact C-O 3.5Å; S36-L102 WeakPolarHBondContact CA-O 3.37Å; S36-L102 WeakPolarHBondContact CB-O 3.19Å; S36-R103 WeakPolarHBondContact OG-CA 3.35Å
37	V	97.8	Very high	97.2	Very high	20 Å²	20	71.1 Å²	71.1	12%	0.121	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.2	175.6	75	0	0	0	0	109.4	E29 V31 M39 E101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.64Å; E29-V37 HydrophobicContact CG-CG2 3.63Å; V31-V37 HydrophobicContact CG1-CB 4.27Å; V31-V37 HydrophobicContact CG1-CG2 4.25Å; V37-M39 HydrophobicContact CG1-CE 4.18Å; V37-E101 CarbonylContact O-C 3.54Å; V37-E101 VanDerWaalsContact O-CA 3.29Å; V37-E101 WeakPolarHBondContact O-CA 3.46Å; V37-L102 HydrophobicContact CG1-CB 4.19Å; V37-L102 PolarHBondContact N-O 3.22Å; V37-L102 PolarHBondContact O-N 2.03Å; V37-L105 HydrophobicContact CB-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å
38	K	98	Very high	97.2	Very high	116 Å²	116	69 Å²	69	50%	0.504	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.9	175.1	-173.6	176.5	-177.3	175.6	0	109.5	Y99 M100 E101	K38-Y99 HydrophobicContact CG-CD1 4.49Å; K38-M100 WeakPolarHBondContact CA-O 3.47Å; K38-E101 HydrophobicContact CB-CB 4.49Å; K38-E101 HydrophobicContact CB-CG 4.36Å; K38-E101 HydrophobicContact CG-CB 4.41Å
39	M	98	Very high	97.2	Very high	18 Å²	18	64.6 Å²	64.6	9%	0.089	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.3	176.2	62.7	-168.3	80.1	0	0	110.9	S26 V37 W55 Y99 M100 L102 Y113	S26-M39 WeakPolarHBondContact OG-CA 3.15Å; S26-M39 WeakPolarHBondContact OG-CB 3.44Å; V37-M39 HydrophobicContact CG1-CE 4.18Å; M39-W55 HydrophobicContact CG-CE3 4.4Å; M39-W55 HydrophobicContact CG-CH2 3.71Å; M39-W55 HydrophobicContact CG-CZ3 3.52Å; M39-W55 HydrophobicContact SD-CE3 4.04Å; M39-W55 HydrophobicContact SD-CH2 4.32Å; M39-W55 HydrophobicContact SD-CZ3 3.51Å; M39-W55 VanDerWaalsContact SD-CZ3 3.51Å; M39-Y99 VanDerWaalsContact O-CA 3.23Å; M39-Y99 WeakPolarHBondContact O-CA 3.45Å; M39-M100 HydrophobicContact CE-CE 3.56Å; M39-M100 HydrophobicContact CG-CB 3.98Å; M39-M100 HydrophobicContact CG-CE 4.2Å; M39-M100 WeakPolarHBondContact CG-O 3Å; M39-M100 PolarHBondContact N-O 3.49Å; M39-M100 PolarHBondContact O-N 2.89Å; M39-M100 HydrophobicContact SD-CE 3.28Å; M39-M100 WeakPolarHBondContact SD-CE 3.02Å; M39-L102 HydrophobicContact CE-CD1 3.99Å; M39-Y113 HydrophobicContact CE-CD1 4.41Å; M39-Y113 HydrophobicContact CE-CD2 4.12Å; M39-Y113 HydrophobicContact CE-CG 3.94Å; M39-Y113 HydrophobicContact SD-CG 4.12Å
40	S	98.6	Very high	97.2	Very high	34 Å²	34	63.8 Å²	63.8	24%	0.238	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.1	177.1	63.8	0	0	0	0	111.1	Q25 S26 A98 Y99	Q25-S40 CarbonylContact C-O 3.54Å; Q25-S40 VanDerWaalsContact CA-O 3.22Å; Q25-S40 WeakPolarHBondContact CA-O 3.16Å; S26-S40 WeakPolarHBondContact CB-OG 3.14Å; S26-S40 PolarHBondContact N-O 2.95Å; S26-S40 PolarHBondContact OG-N 3.45Å; S26-S40 VanDerWaalsContact OG-N 3.12Å; S40-A98 CarbonylContact C-O 3.52Å; S40-A98 WeakPolarHBondContact CA-O 3.43Å; S40-Y99 VanDerWaalsContact CB-CE1 3.48Å
41	C	98.7	Very high	97.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.4	169.6	177.9	0	0	0	0	108.9	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.37Å; Q25-C41 HydrophobicContact CG-CB 4.23Å; C41-W55 HydrophobicContact CB-CH2 3.76Å; C41-W55 HydrophobicContact CB-CZ2 3.97Å; C41-T97 WeakPolarHBondContact O-CA 3.28Å; C41-A98 PolarHBondContact N-O 2.83Å; C41-A98 PolarHBondContact O-N 2.9Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.4Å; C41-C115 WeakPolarHBondContact SG-CB 3.17Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 3.45Å
42	K	98.6	Very high	97.4	Very high	119 Å²	119	60.2 Å²	60.2	52%	0.517	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.4	179.7	-175	178.5	-179.5	-176.8	0	109.8	L23 Q24 T97	L23-K42 WeakPolarHBondContact CA-O 3.49Å; Q24-K42 PolarHBondContact N-O 3.19Å; Q24-K42 PolarHBondContact O-N 3.47Å; K42-T97 HydrophobicContact CB-CG2 4.44Å
43	A	98.3	Very high	97.5	Very high	5 Å²	5	52 Å²	52	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141	-179.6	0	0	0	0	0	112	Q22 L23 Y46 F48 M53 S96	Q22-A43 WeakPolarHBondContact O-CA 3.38Å; L23-A43 HydrophobicContact CD2-CB 3.83Å; A43-Y46 HydrophobicContact CB-CE1 3.61Å; A43-Y46 VanDerWaalsContact CB-OH 3.31Å; A43-Y46 WeakPolarHBondContact CB-OH 3.48Å; A43-F48 HydrophobicContact CB-CD2 3.43Å; A43-F48 VanDerWaalsContact CB-CD2 3.43Å; A43-F48 HydrophobicContact CB-CE2 3.92Å; A43-F48 HydrophobicContact CB-CG 4.25Å; A43-M53 HydrophobicContact CB-CE 4.47Å; A43-S96 PolarHBondContact N-O 3.22Å; A43-S96 WeakPolarHBondContact O-CB 3.38Å
44	S	97.4	Very high	97.6	Very high	51 Å²	51	49.3 Å²	49.3	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.1	171.3	50.5	0	0	0	0	111.6	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.87Å; Q22-S44 PolarHBondContact O-N 2.88Å; S44-Y46 WeakPolarHBondContact O-CD1 3.29Å
45	G	95.9	Very high	97.7	Very high	32 Å²	32	46.8 Å²	46.8	33%	0.33	26%	0.256	S	S	.	.	S	Bend	trans	82.2	7.8	179.4	0	0	0	0	0	115.5	E20	E20-G45 WeakPolarHBondContact O-CA 3.35Å
46	Y	94.5	Very high	97.7	Very high	39 Å²	39	46.4 Å²	46.4	15%	0.153	25%	0.25	C	S	.	.	S	Bend	trans	-155.9	165.4	173.1	70.1	-80.1	0	0	0	111.6	V21 L23 A43 S44 F48 Y51	V21-Y46 HydrophobicContact CG1-CD1 3.91Å; V21-Y46 HydrophobicContact CG1-CE1 4.09Å; V21-Y46 HydrophobicContact CG2-CD1 4.34Å; L23-Y46 HydrophobicContact CD2-CE1 4.2Å; A43-Y46 HydrophobicContact CB-CE1 3.61Å; A43-Y46 VanDerWaalsContact CB-OH 3.31Å; A43-Y46 WeakPolarHBondContact CB-OH 3.48Å; S44-Y46 WeakPolarHBondContact O-CD1 3.29Å; Y46-F48 HydrophobicContact CE2-CD2 4.46Å; Y46-F48 PolarHBondContact O-N 2.82Å; Y46-Y51 AromaticContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CE2 4.08Å; Y46-Y51 HydrophobicContact CD2-CG 4.43Å; Y46-Y51 AromaticContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CG 4.28Å
47	T	96.1	Very high	97.7	Very high	79 Å²	79	44.1 Å²	44.1	49%	0.485	23%	0.233	S	C	.	.			trans	-68	101.1	170.3	-52.6	0	0	0	0	109.5	T49 D50	T47-T49 WeakPolarHBondContact CG2-OG1 3.33Å; T47-T49 PolarHBondContact O-N 2.88Å; T47-T49 VanDerWaalsContact O-N 3.08Å; T47-D50 WeakPolarHBondContact CB-OD2 3.23Å; T47-D50 HydrophobicContact CG2-CB 4.43Å; T47-D50 VanDerWaalsContact CG2-CG 3.45Å; T47-D50 VanDerWaalsContact CG2-OD1 3.31Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.44Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.37Å; T47-D50 WeakPolarHBondContact O-CB 3.46Å; T47-D50 PolarHBondContact O-N 2.99Å
48	F	97.2	Very high	97.7	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.035	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-54.8	-32.4	-173.2	175.7	-122.8	0	0	0	114	A43 Y46 D50 M53 P72 V91 S96 A98	A43-F48 HydrophobicContact CB-CD2 3.43Å; A43-F48 VanDerWaalsContact CB-CD2 3.43Å; A43-F48 HydrophobicContact CB-CE2 3.92Å; A43-F48 HydrophobicContact CB-CG 4.25Å; Y46-F48 HydrophobicContact CE2-CD2 4.46Å; Y46-F48 PolarHBondContact O-N 2.82Å; F48-D50 VanDerWaalsContact C-N 3.27Å; F48-D50 PolarHBondContact O-N 2.97Å; F48-M53 HydrophobicContact CE2-CE 3.8Å; F48-P72 HydrophobicContact CD1-CB 3.88Å; F48-P72 HydrophobicContact CD1-CG 4.5Å; F48-P72 HydrophobicContact CD2-CG 4.32Å; F48-P72 HydrophobicContact CE1-CB 3.63Å; F48-P72 HydrophobicContact CE1-CG 4.12Å; F48-P72 HydrophobicContact CE2-CB 4.27Å; F48-P72 HydrophobicContact CE2-CG 3.88Å; F48-P72 HydrophobicContact CG-CB 4.36Å; F48-P72 HydrophobicContact CZ-CB 3.83Å; F48-P72 HydrophobicContact CZ-CG 3.78Å; F48-V91 HydrophobicContact CE1-CG2 3.37Å; F48-V91 HydrophobicContact CZ-CG2 3.68Å; F48-S96 VanDerWaalsContact CD1-CA 3.45Å; F48-A98 HydrophobicContact CZ-CB 4.22Å
49	T	97.9	Very high	97.6	Very high	46 Å²	46	42 Å²	42	28%	0.282	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-72.9	-13.5	179.3	50.5	0	0	0	0	114.7	T47 N73 K93	T47-T49 WeakPolarHBondContact CG2-OG1 3.33Å; T47-T49 PolarHBondContact O-N 2.88Å; T47-T49 VanDerWaalsContact O-N 3.08Å; T49-N73 WeakPolarHBondContact O-CB 3.28Å; T49-K93 HydrophobicContact CG2-CD 4.42Å
50	D	97.2	Very high	97.3	Very high	108 Å²	108	50.3 Å²	50.3	58%	0.578	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-85.7	-10	-173.8	-64.9	-1.7	0	0	0	112.9	T47 F48	T47-D50 WeakPolarHBondContact CB-OD2 3.23Å; T47-D50 HydrophobicContact CG2-CB 4.43Å; T47-D50 VanDerWaalsContact CG2-CG 3.45Å; T47-D50 VanDerWaalsContact CG2-OD1 3.31Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.44Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.37Å; T47-D50 WeakPolarHBondContact O-CB 3.46Å; T47-D50 PolarHBondContact O-N 2.99Å; F48-D50 VanDerWaalsContact C-N 3.27Å; F48-D50 PolarHBondContact O-N 2.97Å
51	Y	97.4	Very high	96.9	Very high	104 Å²	104	52.6 Å²	52.6	41%	0.408	29%	0.292	S	S	.	.	S	Bend	trans	-133.1	142.9	-175.6	-63.1	-93.2	0	0	0	111.6	Y46 P72	Y46-Y51 AromaticContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CE2 4.08Å; Y46-Y51 HydrophobicContact CD2-CG 4.43Å; Y46-Y51 AromaticContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CG 4.28Å; Y51-P72 WeakPolarHBondContact O-CD 3.32Å; Y51-P72 VanDerWaalsContact O-CG 3.29Å; Y51-P72 WeakPolarHBondContact O-CG 3.42Å
52	N	98.4	Very high	96.5	Very high	51 Å²	51	59.8 Å²	59.8	27%	0.273	32%	0.324	S	S	.	.			trans	-68.7	145	171.2	-66	-43.8	0	0	0	110.3	Y69 N71	N52-Y69 HydrophobicContact CB-CD2 3.92Å; N52-Y69 HydrophobicContact CB-CG 4.34Å; N52-N71 VanDerWaalsContact OD1-CA 3.26Å; N52-N71 WeakPolarHBondContact OD1-CA 3.39Å; N52-N71 WeakPolarHBondContact OD1-CB 3.05Å
53	M	98.6	Very high	96.1	Very high	1 Å²	1	59 Å²	59	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.2	169.1	-173.3	65	63	0	0	109.4	L23 A43 F48 Y69 I70 A98 C115 A116	L23-M53 HydrophobicContact CD1-CE 4.49Å; L23-M53 HydrophobicContact CD1-SD 4.29Å; L23-M53 HydrophobicContact CD2-CE 3.71Å; A43-M53 HydrophobicContact CB-CE 4.47Å; F48-M53 HydrophobicContact CE2-CE 3.8Å; M53-Y69 CarbonylContact O-C 3.55Å; M53-Y69 WeakPolarHBondContact O-CA 3.39Å; M53-I70 HydrophobicContact CB-CG2 3.96Å; M53-I70 PolarHBondContact N-O 2.7Å; M53-I70 PolarHBondContact O-N 2.93Å; M53-A98 HydrophobicContact CB-CB 3.98Å; M53-A98 HydrophobicContact CG-CB 3.63Å; M53-C115 HydrophobicContact CG-CB 4.4Å; M53-C115 HydrophobicContact SD-CB 3.73Å; M53-A116 VanDerWaalsContact SD-O 3.33Å
54	H	98.7	Very high	96	Very high	56 Å²	56	63.9 Å²	63.9	26%	0.259	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	146.7	176.7	-66.6	-104.5	0	0	0	110.8	W66 G68 C115 A116	H54-W66 AromaticContact ND1-NE1 3.37Å; H54-W66 PolarHBondContact ND1-NE1 3Å; H54-G68 WeakPolarHBondContact CA-O 3.41Å; H54-C115 CarbonylContact O-C 3.58Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.28Å; H54-A116 HydrophobicContact CB-CB 4.43Å; H54-A116 PolarHBondContact N-O 3.45Å; H54-A116 PolarHBondContact O-N 3.42Å
55	W	98.7	Very high	96	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.9	172.5	-68	88.7	0	0	0	110.4	M39 C41 I67 G68 L89 A98 M100 Y114 C115	M39-W55 HydrophobicContact CG-CE3 4.4Å; M39-W55 HydrophobicContact CG-CH2 3.71Å; M39-W55 HydrophobicContact CG-CZ3 3.52Å; M39-W55 HydrophobicContact SD-CE3 4.04Å; M39-W55 HydrophobicContact SD-CH2 4.32Å; M39-W55 HydrophobicContact SD-CZ3 3.51Å; M39-W55 VanDerWaalsContact SD-CZ3 3.51Å; C41-W55 HydrophobicContact CB-CH2 3.76Å; C41-W55 HydrophobicContact CB-CZ2 3.97Å; W55-I67 HydrophobicContact CB-CB 4.14Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 WeakPolarHBondContact O-CB 3.34Å; W55-I67 PolarHBondContact O-N 3.03Å; W55-G68 PolarHBondContact N-O 2.9Å; W55-L89 HydrophobicContact CG-CD2 4.07Å; W55-A98 HydrophobicContact CZ2-CB 4.36Å; W55-M100 HydrophobicContact CB-CE 4.38Å; W55-M100 HydrophobicContact CB-SD 3.83Å; W55-M100 HydrophobicContact CD2-CB 3.68Å; W55-M100 HydrophobicContact CD2-CE 4.08Å; W55-M100 HydrophobicContact CD2-CG 4.45Å; W55-M100 HydrophobicContact CD2-SD 4.02Å; W55-M100 HydrophobicContact CE3-CB 3.93Å; W55-M100 HydrophobicContact CE3-CE 3.58Å; W55-M100 HydrophobicContact CE3-SD 4.15Å; W55-M100 HydrophobicContact CG-CB 4.22Å; W55-M100 HydrophobicContact CG-CE 4.45Å; W55-M100 HydrophobicContact CG-SD 3.91Å; W55-M100 HydrophobicContact CH2-CB 4.06Å; W55-M100 HydrophobicContact CZ2-CB 3.83Å; W55-M100 HydrophobicContact CZ3-CB 4.12Å; W55-M100 HydrophobicContact CZ3-CE 4.19Å; W55-Y114 WeakPolarHBondContact CA-O 3.39Å; W55-C115 HydrophobicContact CD2-CB 4.35Å; W55-C115 HydrophobicContact CE3-CB 4.12Å; W55-C115 HydrophobicContact CH2-CB 4.14Å; W55-C115 HydrophobicContact CZ2-CB 4.35Å; W55-C115 HydrophobicContact CZ3-CB 4Å
56	V	98.3	Very high	96.1	Very high	27 Å²	27	66 Å²	66	16%	0.164	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.3	-174.9	-174.4	0	0	0	0	109.8	L64 E65 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.96Å; V56-L64 HydrophobicContact CG1-CG 4.34Å; V56-E65 WeakPolarHBondContact CA-O 3.26Å; V56-Y113 WeakPolarHBondContact O-CA 3.49Å; V56-Y114 PolarHBondContact N-O 3.25Å; V56-Y114 PolarHBondContact O-N 3.32Å
57	K	97.8	Very high	96.3	Very high	13 Å²	13	64.2 Å²	64.2	6%	0.057	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.3	174.3	-174.8	-177.8	-178.1	-172.8	0	110.2	S59 E65 I67 F83 E108 D109 A111 Y113	K57-S59 VanDerWaalsContact CE-OG 3.28Å; K57-S59 WeakPolarHBondContact CE-OG 3.49Å; K57-E65 HydrophobicContact CB-CB 4.47Å; K57-E65 PolarHBondContact N-O 2.96Å; K57-E65 PolarHBondContact O-N 3.15Å; K57-I67 HydrophobicContact CB-CD1 4.08Å; K57-I67 HydrophobicContact CB-CG1 4.21Å; K57-F83 HydrophobicContact CB-CZ 4.36Å; K57-F83 HydrophobicContact CD-CE1 4.12Å; K57-F83 HydrophobicContact CD-CZ 3.84Å; K57-E108 PolarHBondContact NZ-O 2.93Å; K57-D109 IonicContact NZ-OD1 3.66Å; K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.59Å; K57-Y113 HydrophobicContact CB-CD1 4.17Å; K57-Y113 HydrophobicContact CB-CE1 3.91Å; K57-Y113 HydrophobicContact CD-CE1 4.06Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.72Å
58	Q	97.5	Very high	96.4	Very high	77 Å²	77	60.4 Å²	60.4	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	103.1	167.6	-167.6	178.6	30.5	0	0	109.7	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.6Å; Q58-L64 HydrophobicContact CG-CD2 3.76Å; Q58-A111 WeakPolarHBondContact O-CA 3.31Å; Q58-A111 VanDerWaalsContact O-CB 3.26Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; Q58-V112 HydrophobicContact CB-CB 4.42Å; Q58-V112 PolarHBondContact N-O 3.12Å; Q58-V112 PolarHBondContact O-N 3.1Å; Q58-Y114 HydrophobicContact CB-CD2 4.41Å; Q58-Y114 HydrophobicContact CB-CE2 3.88Å; Q58-Y114 PolarHBondContact OE1-OH 3.43Å
59	S	95.4	Very high	96.5	Very high	15 Å²	15	63.6 Å²	63.6	11%	0.105	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.5	174.3	-47.1	0	0	0	0	110	K57 G61 K62	K57-S59 VanDerWaalsContact CE-OG 3.28Å; K57-S59 WeakPolarHBondContact CE-OG 3.49Å; S59-G61 PolarHBondContact O-N 2.75Å; S59-K62 PolarHBondContact O-N 3.12Å; S59-K62 VanDerWaalsContact O-N 3.08Å
60	H	92.4	Very high	96.5	Very high	191 Å²	191	61.6 Å²	61.6	88%	0.884	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	123.5	178.6	-170.5	-104.3	0	0	0	111.4	K62	H60-K62 VanDerWaalsContact C-N 3.28Å; H60-K62 PolarHBondContact O-N 3Å
61	G	90.5	Very high	96.6	Very high	82 Å²	82	58.2 Å²	58.2	85%	0.845	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	10.8	179.8	0	0	0	0	0	116.1	S59	S59-G61 PolarHBondContact O-N 2.75Å
62	K	90	Very high	96.6	Very high	152 Å²	152	53.2 Å²	53.2	66%	0.661	28%	0.282	S	S	*	.	S	Bend	trans	-116.6	160.7	178.7	-62	-171.8	179	177.7	0	111.9	S59 H60	S59-K62 PolarHBondContact O-N 3.12Å; S59-K62 VanDerWaalsContact O-N 3.08Å; H60-K62 VanDerWaalsContact C-N 3.28Å; H60-K62 PolarHBondContact O-N 3Å
63	S	90.8	Very high	96.6	Very high	102 Å²	102	55.4 Å²	55.4	71%	0.713	29%	0.293	S	S	*	.			trans	-63.3	160.4	170.3	56.9	0	0	0	0	111.5	E65	S63-E65 PolarHBondContact O-N 3.43Å
64	L	96.4	Very high	96.6	Very high	107 Å²	107	60.6 Å²	60.6	56%	0.56	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.1	171	-67.6	174	0	0	0	110.1	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.96Å; V56-L64 HydrophobicContact CG1-CG 4.34Å; Q58-L64 HydrophobicContact CB-CD2 3.6Å; Q58-L64 HydrophobicContact CG-CD2 3.76Å
65	E	97.2	Very high	96.5	Very high	44 Å²	44	59.6 Å²	59.6	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.6	178.7	-170	172.4	-137.6	0	0	109.8	V56 K57 S63 I67 K82 F83	V56-E65 WeakPolarHBondContact CA-O 3.26Å; K57-E65 HydrophobicContact CB-CB 4.47Å; K57-E65 PolarHBondContact N-O 2.96Å; K57-E65 PolarHBondContact O-N 3.15Å; S63-E65 PolarHBondContact O-N 3.43Å; E65-I67 PolarHBondContact O-N 3.22Å; E65-K82 WeakPolarHBondContact OE1-CD 3.47Å; E65-K82 WeakPolarHBondContact OE1-CE 3.42Å; E65-K82 IonicContact OE1-NZ 2.7Å; E65-K82 PolarHBondContact OE1-NZ 3.35Å; E65-F83 HydrophobicContact CG-CE2 3.9Å; E65-F83 HydrophobicContact CG-CZ 4.42Å; E65-F83 WeakPolarHBondContact OE2-CZ 3.01Å
66	W	98	Very high	96.5	Very high	85 Å²	85	61.1 Å²	61.1	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.3	177.2	-179.2	72.1	0	0	0	110.5	H54 G68 Y69 N80	H54-W66 AromaticContact ND1-NE1 3.37Å; H54-W66 PolarHBondContact ND1-NE1 3Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 VanDerWaalsContact CE2-CA 3.48Å; W66-G68 PolarHBondContact NE1-O 2.8Å; W66-G68 VanDerWaalsContact NE1-O 3.07Å; W66-Y69 HydrophobicContact CH2-CD1 4.32Å; W66-Y69 AromaticContact CZ2-CD1 3.75Å; W66-Y69 HydrophobicContact CZ2-CD1 3.75Å; W66-Y69 HydrophobicContact CZ2-CG 4.45Å; W66-N80 HydrophobicContact CE3-CB 3.89Å; W66-N80 HydrophobicContact CZ3-CB 4.12Å; W66-N80 WeakPolarHBondContact O-CB 3.44Å; W66-N80 PolarHBondContact O-ND2 3.1Å
67	I	98.4	Very high	96.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-48.4	-178.9	-62.2	174.3	0	0	0	110.5	W55 K57 E65 Y79 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.14Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 WeakPolarHBondContact O-CB 3.34Å; W55-I67 PolarHBondContact O-N 3.03Å; K57-I67 HydrophobicContact CB-CD1 4.08Å; K57-I67 HydrophobicContact CB-CG1 4.21Å; E65-I67 PolarHBondContact O-N 3.22Å; I67-Y79 WeakPolarHBondContact O-CA 3.24Å; I67-N80 PolarHBondContact O-N 2.94Å; I67-F83 HydrophobicContact CB-CD2 4.23Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CD1-CE1 4.38Å; I67-F83 HydrophobicContact CG1-CD1 4.13Å; I67-F83 HydrophobicContact CG1-CD2 4.11Å; I67-F83 HydrophobicContact CG1-CE1 4Å; I67-F83 HydrophobicContact CG1-CE2 3.97Å; I67-F83 HydrophobicContact CG1-CG 4.19Å; I67-F83 HydrophobicContact CG1-CZ 3.92Å; I67-F83 HydrophobicContact CG2-CB 3.79Å; I67-F83 HydrophobicContact CG2-CD1 4.01Å; I67-F83 HydrophobicContact CG2-CD2 4.23Å; I67-F83 HydrophobicContact CG2-CG 3.75Å; I67-A87 HydrophobicContact CG2-CB 3.88Å; I67-M100 HydrophobicContact CD1-CE 3.76Å; I67-M100 HydrophobicContact CD1-SD 3.66Å; I67-M100 HydrophobicContact CG2-SD 3.89Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.73Å
68	G	98.5	Very high	96.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	176	-167.9	0	0	0	0	0	112.4	H54 W55 W66 S78	H54-G68 WeakPolarHBondContact CA-O 3.41Å; W55-G68 PolarHBondContact N-O 2.9Å; W66-G68 VanDerWaalsContact CE2-C 3.44Å; W66-G68 VanDerWaalsContact CE2-CA 3.48Å; W66-G68 PolarHBondContact NE1-O 2.8Å; W66-G68 VanDerWaalsContact NE1-O 3.07Å; G68-S78 CarbonylContact C-O 3.55Å; G68-S78 WeakPolarHBondContact CA-O 3.07Å
69	Y	98.7	Very high	96.6	Very high	75 Å²	75	63.5 Å²	63.5	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.4	166.6	78	-103.9	0	0	0	110.3	N52 M53 W66 N71 T77 S78 L89	N52-Y69 HydrophobicContact CB-CD2 3.92Å; N52-Y69 HydrophobicContact CB-CG 4.34Å; M53-Y69 CarbonylContact O-C 3.55Å; M53-Y69 WeakPolarHBondContact O-CA 3.39Å; W66-Y69 HydrophobicContact CH2-CD1 4.32Å; W66-Y69 AromaticContact CZ2-CD1 3.75Å; W66-Y69 HydrophobicContact CZ2-CD1 3.75Å; W66-Y69 HydrophobicContact CZ2-CG 4.45Å; Y69-N71 HydrophobicContact CE2-CB 4.48Å; Y69-T77 VanDerWaalsContact O-CA 3.31Å; Y69-T77 WeakPolarHBondContact O-CA 3.46Å; Y69-S78 VanDerWaalsContact CE1-CB 3.42Å; Y69-S78 PolarHBondContact N-O 2.78Å; Y69-S78 PolarHBondContact O-N 2.82Å; Y69-L89 VanDerWaalsContact C-CD1 3.45Å; Y69-L89 WeakPolarHBondContact O-CD1 3.47Å
70	I	98.7	Very high	96.7	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.015	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.1	165.1	-176	163.3	0	0	0	109.1	M53 P72 G76 T77 L89 T90 V91 A98	M53-I70 HydrophobicContact CB-CG2 3.96Å; M53-I70 PolarHBondContact N-O 2.7Å; M53-I70 PolarHBondContact O-N 2.93Å; I70-P72 VanDerWaalsContact O-CD 3.27Å; I70-P72 WeakPolarHBondContact O-CD 3.46Å; I70-G76 CarbonylContact C-O 3.55Å; I70-G76 WeakPolarHBondContact CA-O 3.48Å; I70-T77 HydrophobicContact CB-CG2 4.06Å; I70-T77 HydrophobicContact CD1-CG2 3.97Å; I70-T77 HydrophobicContact CG1-CG2 3.87Å; I70-L89 HydrophobicContact CB-CB 3.99Å; I70-L89 HydrophobicContact CB-CD1 4.35Å; I70-L89 HydrophobicContact CD1-CB 4.31Å; I70-L89 HydrophobicContact CG2-CB 4.37Å; I70-T90 VanDerWaalsContact CD1-C 3.46Å; I70-V91 HydrophobicContact CD1-CB 3.88Å; I70-V91 HydrophobicContact CD1-CG1 3.95Å; I70-A98 HydrophobicContact CG2-CB 4.36Å
71	N	98.5	Very high	97	Very high	37 Å²	37	62.6 Å²	62.6	20%	0.198	36%	0.355	C	S	.	.			trans	-84.7	110.6	170.9	-178	-35.4	0	0	0	108.8	N52 Y69 N73 N74 G75 G76	N52-N71 VanDerWaalsContact OD1-CA 3.26Å; N52-N71 WeakPolarHBondContact OD1-CA 3.39Å; N52-N71 WeakPolarHBondContact OD1-CB 3.05Å; Y69-N71 HydrophobicContact CE2-CB 4.48Å; N71-N73 PolarHBondContact O-N 2.84Å; N71-N73 WeakPolarHBondContact OD1-CA 3.39Å; N71-N73 WeakPolarHBondContact OD1-CB 3.45Å; N71-N73 PolarHBondContact OD1-N 3.27Å; N71-N74 WeakPolarHBondContact CB-OD1 3.22Å; N71-N74 PolarHBondContact O-N 2.84Å; N71-N74 PolarHBondContact OD1-N 2.79Å; N71-G75 VanDerWaalsContact O-CA 3.24Å; N71-G75 WeakPolarHBondContact O-CA 3.43Å; N71-G75 PolarHBondContact O-N 2.98Å; N71-G76 PolarHBondContact N-O 3.48Å
72	P	98.4	Very high	97.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.8	-178.6	-23	37.2	0	0	0	114	F48 Y51 I70 V91 K93	F48-P72 HydrophobicContact CD1-CB 3.88Å; F48-P72 HydrophobicContact CD1-CG 4.5Å; F48-P72 HydrophobicContact CD2-CG 4.32Å; F48-P72 HydrophobicContact CE1-CB 3.63Å; F48-P72 HydrophobicContact CE1-CG 4.12Å; F48-P72 HydrophobicContact CE2-CB 4.27Å; F48-P72 HydrophobicContact CE2-CG 3.88Å; F48-P72 HydrophobicContact CG-CB 4.36Å; F48-P72 HydrophobicContact CZ-CB 3.83Å; F48-P72 HydrophobicContact CZ-CG 3.78Å; Y51-P72 WeakPolarHBondContact O-CD 3.32Å; Y51-P72 VanDerWaalsContact O-CG 3.29Å; Y51-P72 WeakPolarHBondContact O-CG 3.42Å; I70-P72 VanDerWaalsContact O-CD 3.27Å; I70-P72 WeakPolarHBondContact O-CD 3.46Å; P72-V91 HydrophobicContact CB-CG2 3.98Å; P72-K93 WeakPolarHBondContact O-CD 3.18Å; P72-K93 WeakPolarHBondContact O-CE 3.5Å
73	N	98.1	Very high	97.5	Very high	96 Å²	96	58.9 Å²	58.9	51%	0.513	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-47.1	178.1	-173	19.9	0	0	0	112.1	T49 N71 K93	T49-N73 WeakPolarHBondContact O-CB 3.28Å; N71-N73 PolarHBondContact O-N 2.84Å; N71-N73 WeakPolarHBondContact OD1-CA 3.39Å; N71-N73 WeakPolarHBondContact OD1-CB 3.45Å; N71-N73 PolarHBondContact OD1-N 3.27Å; N73-K93 WeakPolarHBondContact O-CE 3.38Å; N73-K93 PolarHBondContact O-NZ 2.98Å
74	N	97.6	Very high	97.8	Very high	111 Å²	111	60.8 Å²	60.8	59%	0.594	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-4.5	-173.4	64.8	16.9	0	0	0	114.6	N71 G76	N71-N74 WeakPolarHBondContact CB-OD1 3.22Å; N71-N74 PolarHBondContact O-N 2.84Å; N71-N74 PolarHBondContact OD1-N 2.79Å; N74-G76 VanDerWaalsContact C-N 3.25Å; N74-G76 PolarHBondContact O-N 2.87Å; N74-G76 PolarHBondContact OD1-N 2.8Å
75	G	97.7	Very high	97.7	Very high	34 Å²	34	59.3 Å²	59.3	35%	0.351	32%	0.322	S	S	.	.			trans	77.7	5	-177.8	0	0	0	0	0	114.3	N71	N71-G75 VanDerWaalsContact O-CA 3.24Å; N71-G75 WeakPolarHBondContact O-CA 3.43Å; N71-G75 PolarHBondContact O-N 2.98Å
76	G	98.3	Very high	97.7	Very high	33 Å²	33	59.6 Å²	59.6	34%	0.34	32%	0.322	S	S	.	.			trans	-63.3	135.4	178	0	0	0	0	0	111.6	I70 N71 N74	I70-G76 CarbonylContact C-O 3.55Å; I70-G76 WeakPolarHBondContact CA-O 3.48Å; N71-G76 PolarHBondContact N-O 3.48Å; N74-G76 VanDerWaalsContact C-N 3.25Å; N74-G76 PolarHBondContact O-N 2.87Å; N74-G76 PolarHBondContact OD1-N 2.8Å
77	T	98.6	Very high	97.8	Very high	62 Å²	62	55.8 Å²	55.8	38%	0.38	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.2	-177.2	58.4	0	0	0	0	111.9	Y69 I70 Y79 L89	Y69-T77 VanDerWaalsContact O-CA 3.31Å; Y69-T77 WeakPolarHBondContact O-CA 3.46Å; I70-T77 HydrophobicContact CB-CG2 4.06Å; I70-T77 HydrophobicContact CD1-CG2 3.97Å; I70-T77 HydrophobicContact CG1-CG2 3.87Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.31Å; T77-L89 HydrophobicContact CG2-CB 4.02Å
78	S	98.4	Very high	97.8	Very high	48 Å²	48	57.9 Å²	57.9	34%	0.336	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.5	165.8	-173.1	0	0	0	0	109.9	G68 Y69	G68-S78 CarbonylContact C-O 3.55Å; G68-S78 WeakPolarHBondContact CA-O 3.07Å; Y69-S78 VanDerWaalsContact CE1-CB 3.42Å; Y69-S78 PolarHBondContact N-O 2.78Å; Y69-S78 PolarHBondContact O-N 2.82Å
79	Y	98.6	Very high	97.8	Very high	57 Å²	57	58.3 Å²	58.3	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.7	-175.6	-61.8	-92.9	0	0	0	110.7	I67 T77 A87 L89	I67-Y79 WeakPolarHBondContact O-CA 3.24Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.31Å; Y79-A87 HydrophobicContact CD1-CB 4.3Å; Y79-A87 HydrophobicContact CE1-CB 4.11Å; Y79-A87 WeakPolarHBondContact CE1-O 3.39Å; Y79-L89 HydrophobicContact CE1-CD1 4.1Å; Y79-L89 HydrophobicContact CE1-CG 3.72Å; Y79-L89 PolarHBondContact OH-N 2.83Å
80	N	97.5	Very high	97.8	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.23	33%	0.326	C	S	.	.			trans	-64.9	139	156.9	179.6	-33	0	0	0	109	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.89Å; W66-N80 HydrophobicContact CZ3-CB 4.12Å; W66-N80 WeakPolarHBondContact O-CB 3.44Å; W66-N80 PolarHBondContact O-ND2 3.1Å; I67-N80 PolarHBondContact O-N 2.94Å; N80-K82 PolarHBondContact O-N 3.33Å; N80-K82 VanDerWaalsContact O-N 3.1Å; N80-K82 PolarHBondContact OD1-N 3.08Å; N80-F83 HydrophobicContact CB-CD2 4.15Å; N80-F83 PolarHBondContact O-N 3.2Å; N80-K84 PolarHBondContact O-N 2.62Å; N80-K84 VanDerWaalsContact O-N 3.15Å
81	Q	97.3	Very high	97.8	Very high	143 Å²	143	59 Å²	59	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.7	-177.1	-171.4	60.3	20.6	0	0	113.4	F83 K84	Q81-F83 VanDerWaalsContact C-N 3.27Å; Q81-F83 PolarHBondContact O-N 3.45Å; Q81-K84 PolarHBondContact O-N 2.88Å
82	K	95.3	Very high	97.7	Very high	150 Å²	150	60.2 Å²	60.2	65%	0.652	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.1	178	-70.3	178.9	-178.8	-179.5	0	114.3	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.47Å; E65-K82 WeakPolarHBondContact OE1-CE 3.42Å; E65-K82 IonicContact OE1-NZ 2.7Å; E65-K82 PolarHBondContact OE1-NZ 3.35Å; N80-K82 PolarHBondContact O-N 3.33Å; N80-K82 VanDerWaalsContact O-N 3.1Å; N80-K82 PolarHBondContact OD1-N 3.08Å
83	F	97.1	Very high	97.7	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.026	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-7.2	-178.1	-64.4	-85.9	0	0	0	112.7	K57 E65 I67 N80 Q81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.36Å; K57-F83 HydrophobicContact CD-CE1 4.12Å; K57-F83 HydrophobicContact CD-CZ 3.84Å; E65-F83 HydrophobicContact CG-CE2 3.9Å; E65-F83 HydrophobicContact CG-CZ 4.42Å; E65-F83 WeakPolarHBondContact OE2-CZ 3.01Å; I67-F83 HydrophobicContact CB-CD2 4.23Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CD1-CE1 4.38Å; I67-F83 HydrophobicContact CG1-CD1 4.13Å; I67-F83 HydrophobicContact CG1-CD2 4.11Å; I67-F83 HydrophobicContact CG1-CE1 4Å; I67-F83 HydrophobicContact CG1-CE2 3.97Å; I67-F83 HydrophobicContact CG1-CG 4.19Å; I67-F83 HydrophobicContact CG1-CZ 3.92Å; I67-F83 HydrophobicContact CG2-CB 3.79Å; I67-F83 HydrophobicContact CG2-CD1 4.01Å; I67-F83 HydrophobicContact CG2-CD2 4.23Å; I67-F83 HydrophobicContact CG2-CG 3.75Å; N80-F83 HydrophobicContact CB-CD2 4.15Å; N80-F83 PolarHBondContact O-N 3.2Å; Q81-F83 VanDerWaalsContact C-N 3.27Å; Q81-F83 PolarHBondContact O-N 3.45Å; F83-G85 PolarHBondContact O-N 2.78Å; F83-K86 PolarHBondContact O-N 3.47Å; F83-A87 HydrophobicContact CB-CB 4.11Å; F83-A87 PolarHBondContact O-N 2.92Å
84	K	96.1	Very high	97.6	Very high	143 Å²	143	66 Å²	66	62%	0.622	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-60.2	120.6	175.4	-168	173	-177.1	175.9	0	109.5	N80 Q81 K86	N80-K84 PolarHBondContact O-N 2.62Å; N80-K84 VanDerWaalsContact O-N 3.15Å; Q81-K84 PolarHBondContact O-N 2.88Å; K84-K86 VanDerWaalsContact C-N 3.29Å; K84-K86 PolarHBondContact O-N 3.26Å
85	G	95.6	Very high	97.6	Very high	76 Å²	76	62.6 Å²	62.6	78%	0.784	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-18	-175.6	0	0	0	0	0	114.9	F83	F83-G85 PolarHBondContact O-N 2.78Å
86	K	97.4	Very high	97.7	Very high	50 Å²	50	62.8 Å²	62.8	22%	0.217	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-41.6	174.3	-167.6	171.8	-167.5	171.4	0	112.5	F83 K84 L102 R103 D109	F83-K86 PolarHBondContact O-N 3.47Å; K84-K86 VanDerWaalsContact C-N 3.29Å; K84-K86 PolarHBondContact O-N 3.26Å; K86-L102 WeakPolarHBondContact O-CA 3.42Å; K86-R103 WeakPolarHBondContact CG-O 3.26Å; K86-R103 PolarHBondContact O-N 3.46Å; K86-D109 WeakPolarHBondContact CE-OD1 3.1Å; K86-D109 WeakPolarHBondContact CE-OD2 3.45Å; K86-D109 IonicContact NZ-OD1 2.78Å; K86-D109 PolarHBondContact NZ-OD1 2.8Å; K86-D109 IonicContact NZ-OD2 2.57Å; K86-D109 PolarHBondContact NZ-OD2 3.03Å
87	A	98.4	Very high	97.7	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.033	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.6	177.1	0	0	0	0	0	111.1	I67 Y79 F83 E101 L102	I67-A87 HydrophobicContact CG2-CB 3.88Å; Y79-A87 HydrophobicContact CD1-CB 4.3Å; Y79-A87 HydrophobicContact CE1-CB 4.11Å; Y79-A87 WeakPolarHBondContact CE1-O 3.39Å; F83-A87 HydrophobicContact CB-CB 4.11Å; F83-A87 PolarHBondContact O-N 2.92Å; A87-E101 CarbonylContact C-O 3.45Å; A87-E101 WeakPolarHBondContact CA-O 3.15Å; A87-L102 HydrophobicContact CB-CD2 3.68Å
88	T	98.6	Very high	97.7	Very high	44 Å²	44	58.7 Å²	58.7	27%	0.27	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.6	168.2	-59.3	0	0	0	0	108.6	T90 E101	T88-T90 HydrophobicContact CG2-CG2 4.19Å; T88-E101 PolarHBondContact N-O 2.85Å; T88-E101 PolarHBondContact O-N 2.86Å
89	L	98.7	Very high	97.7	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.8	177	-52.7	-177.1	0	0	0	110.1	W55 Y69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.07Å; Y69-L89 VanDerWaalsContact C-CD1 3.45Å; Y69-L89 WeakPolarHBondContact O-CD1 3.47Å; I70-L89 HydrophobicContact CB-CB 3.99Å; I70-L89 HydrophobicContact CB-CD1 4.35Å; I70-L89 HydrophobicContact CD1-CB 4.31Å; I70-L89 HydrophobicContact CG2-CB 4.37Å; T77-L89 HydrophobicContact CG2-CB 4.02Å; Y79-L89 HydrophobicContact CE1-CD1 4.1Å; Y79-L89 HydrophobicContact CE1-CG 3.72Å; Y79-L89 PolarHBondContact OH-N 2.83Å; L89-Y99 WeakPolarHBondContact CA-O 3.47Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.63Å; L89-M100 HydrophobicContact CD2-SD 4.04Å
90	T	98.6	Very high	97.7	Very high	57 Å²	57	56.4 Å²	56.4	35%	0.35	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.9	177.3	62	0	0	0	0	110.6	I70 T88 Y99	I70-T90 VanDerWaalsContact CD1-C 3.46Å; T88-T90 HydrophobicContact CG2-CG2 4.19Å; T90-Y99 PolarHBondContact N-O 2.85Å; T90-Y99 PolarHBondContact O-N 2.92Å
91	V	98.4	Very high	97.8	Very high	36 Å²	36	56.7 Å²	56.7	22%	0.218	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.2	-178.5	65	0	0	0	0	111	F48 I70 P72 K93	F48-V91 HydrophobicContact CE1-CG2 3.37Å; F48-V91 HydrophobicContact CZ-CG2 3.68Å; I70-V91 HydrophobicContact CD1-CB 3.88Å; I70-V91 HydrophobicContact CD1-CG1 3.95Å; P72-V91 HydrophobicContact CB-CG2 3.98Å; V91-K93 HydrophobicContact CG2-CG 4.46Å
92	N	98.1	Very high	97.8	Very high	63 Å²	63	49.9 Å²	49.9	34%	0.337	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.8	163.3	-175.4	-2.9	0	0	0	108.8	S94 S95 S96 T97 Y99	N92-S94 PolarHBondContact OD1-N 3.07Å; N92-S94 PolarHBondContact OD1-OG 3.46Å; N92-S95 PolarHBondContact ND2-OG 3.24Å; N92-S96 PolarHBondContact O-N 2.99Å; N92-T97 PolarHBondContact N-O 2.91Å; N92-T97 PolarHBondContact O-N 2.83Å; N92-Y99 HydrophobicContact CB-CE2 3.96Å
93	K	97.1	Very high	97.9	Very high	107 Å²	107	47.9 Å²	47.9	47%	0.465	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-35	-176.8	-56.7	-173.1	-160.2	179.4	0	112.4	T49 P72 N73 V91 S95 S96	T49-K93 HydrophobicContact CG2-CD 4.42Å; P72-K93 WeakPolarHBondContact O-CD 3.18Å; P72-K93 WeakPolarHBondContact O-CE 3.5Å; N73-K93 WeakPolarHBondContact O-CE 3.38Å; N73-K93 PolarHBondContact O-NZ 2.98Å; V91-K93 HydrophobicContact CG2-CG 4.46Å; K93-S95 VanDerWaalsContact C-N 3.27Å; K93-S95 PolarHBondContact O-N 3.36Å; K93-S96 PolarHBondContact O-N 2.91Å
94	S	96.9	Very high	97.9	Very high	111 Å²	111	51.6 Å²	51.6	78%	0.776	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-28.5	-176.4	65.2	0	0	0	0	112.6	N92	N92-S94 PolarHBondContact OD1-N 3.07Å; N92-S94 PolarHBondContact OD1-OG 3.46Å
95	S	97.9	Very high	98	Very high	38 Å²	38	45.4 Å²	45.4	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	6.1	176.9	70.3	0	0	0	0	113.7	N92 K93 T97	N92-S95 PolarHBondContact ND2-OG 3.24Å; K93-S95 VanDerWaalsContact C-N 3.27Å; K93-S95 PolarHBondContact O-N 3.36Å; S95-T97 PolarHBondContact O-N 3.27Å; S95-T97 PolarHBondContact O-OG1 2.9Å; S95-T97 WeakPolarHBondContact OG-CB 3.49Å; S95-T97 PolarHBondContact OG-OG1 2.91Å
96	S	98.3	Very high	98	Very high	38 Å²	38	44.9 Å²	44.9	27%	0.266	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	44	-172.1	-61.5	0	0	0	0	112.8	A43 F48 N92 K93	A43-S96 PolarHBondContact N-O 3.22Å; A43-S96 WeakPolarHBondContact O-CB 3.38Å; F48-S96 VanDerWaalsContact CD1-CA 3.45Å; N92-S96 PolarHBondContact O-N 2.99Å; K93-S96 PolarHBondContact O-N 2.91Å
97	T	98.7	Very high	97.9	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.3	-172.9	-47.6	0	0	0	0	111	C41 K42 N92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.28Å; K42-T97 HydrophobicContact CB-CG2 4.44Å; N92-T97 PolarHBondContact N-O 2.91Å; N92-T97 PolarHBondContact O-N 2.83Å; S95-T97 PolarHBondContact O-N 3.27Å; S95-T97 PolarHBondContact O-OG1 2.9Å; S95-T97 WeakPolarHBondContact OG-CB 3.49Å; S95-T97 PolarHBondContact OG-OG1 2.91Å; T97-Y99 HydrophobicContact CG2-CD1 4.44Å; T97-Y99 HydrophobicContact CG2-CD2 4.35Å; T97-Y99 HydrophobicContact CG2-CE1 3.84Å; T97-Y99 HydrophobicContact CG2-CE2 3.71Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.42Å
98	A	98.7	Very high	97.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.8	166.3	0	0	0	0	0	109.8	S40 C41 F48 M53 W55 I70	S40-A98 CarbonylContact C-O 3.52Å; S40-A98 WeakPolarHBondContact CA-O 3.43Å; C41-A98 PolarHBondContact N-O 2.83Å; C41-A98 PolarHBondContact O-N 2.9Å; F48-A98 HydrophobicContact CZ-CB 4.22Å; M53-A98 HydrophobicContact CB-CB 3.98Å; M53-A98 HydrophobicContact CG-CB 3.63Å; W55-A98 HydrophobicContact CZ2-CB 4.36Å; I70-A98 HydrophobicContact CG2-CB 4.36Å
99	Y	98.7	Very high	97.5	Very high	58 Å²	58	53 Å²	53	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.8	175.4	-54.4	-96.2	0	0	0	110.5	K38 M39 S40 L89 T90 N92 T97	K38-Y99 HydrophobicContact CG-CD1 4.49Å; M39-Y99 VanDerWaalsContact O-CA 3.23Å; M39-Y99 WeakPolarHBondContact O-CA 3.45Å; S40-Y99 VanDerWaalsContact CB-CE1 3.48Å; L89-Y99 WeakPolarHBondContact CA-O 3.47Å; T90-Y99 PolarHBondContact N-O 2.85Å; T90-Y99 PolarHBondContact O-N 2.92Å; N92-Y99 HydrophobicContact CB-CE2 3.96Å; T97-Y99 HydrophobicContact CG2-CD1 4.44Å; T97-Y99 HydrophobicContact CG2-CD2 4.35Å; T97-Y99 HydrophobicContact CG2-CE1 3.84Å; T97-Y99 HydrophobicContact CG2-CE2 3.71Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.42Å
100	M	98.6	Very high	97.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.6	165.6	177.7	170.5	68.6	0	0	108.8	K38 M39 W55 I67 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.47Å; M39-M100 HydrophobicContact CE-CE 3.56Å; M39-M100 HydrophobicContact CG-CB 3.98Å; M39-M100 HydrophobicContact CG-CE 4.2Å; M39-M100 WeakPolarHBondContact CG-O 3Å; M39-M100 PolarHBondContact N-O 3.49Å; M39-M100 PolarHBondContact O-N 2.89Å; M39-M100 HydrophobicContact SD-CE 3.28Å; M39-M100 WeakPolarHBondContact SD-CE 3.02Å; W55-M100 HydrophobicContact CB-CE 4.38Å; W55-M100 HydrophobicContact CB-SD 3.83Å; W55-M100 HydrophobicContact CD2-CB 3.68Å; W55-M100 HydrophobicContact CD2-CE 4.08Å; W55-M100 HydrophobicContact CD2-CG 4.45Å; W55-M100 HydrophobicContact CD2-SD 4.02Å; W55-M100 HydrophobicContact CE3-CB 3.93Å; W55-M100 HydrophobicContact CE3-CE 3.58Å; W55-M100 HydrophobicContact CE3-SD 4.15Å; W55-M100 HydrophobicContact CG-CB 4.22Å; W55-M100 HydrophobicContact CG-CE 4.45Å; W55-M100 HydrophobicContact CG-SD 3.91Å; W55-M100 HydrophobicContact CH2-CB 4.06Å; W55-M100 HydrophobicContact CZ2-CB 3.83Å; W55-M100 HydrophobicContact CZ3-CB 4.12Å; W55-M100 HydrophobicContact CZ3-CE 4.19Å; I67-M100 HydrophobicContact CD1-CE 3.76Å; I67-M100 HydrophobicContact CD1-SD 3.66Å; I67-M100 HydrophobicContact CG2-SD 3.89Å; L89-M100 HydrophobicContact CD2-CB 3.7Å; L89-M100 HydrophobicContact CD2-CG 3.63Å; L89-M100 HydrophobicContact CD2-SD 4.04Å; M100-L102 HydrophobicContact CE-CD1 4.15Å; M100-L102 HydrophobicContact CE-CD2 4.44Å; M100-L102 HydrophobicContact CE-CG 4.26Å; M100-L102 HydrophobicContact CG-CD2 4.24Å; M100-L102 HydrophobicContact CG-CG 4.27Å; M100-L102 HydrophobicContact SD-CD2 4.04Å; M100-L102 HydrophobicContact SD-CG 4.38Å; M100-Y113 HydrophobicContact CE-CD1 3.59Å; M100-Y113 HydrophobicContact CE-CE1 4.22Å; M100-Y113 HydrophobicContact CE-CG 4.17Å
101	E	98.5	Very high	97.3	Very high	48 Å²	48	56 Å²	56	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.4	168	-169.1	-169.3	162.1	0	0	108.8	V37 K38 A87 T88 R103	V37-E101 CarbonylContact O-C 3.54Å; V37-E101 VanDerWaalsContact O-CA 3.29Å; V37-E101 WeakPolarHBondContact O-CA 3.46Å; K38-E101 HydrophobicContact CB-CB 4.49Å; K38-E101 HydrophobicContact CB-CG 4.36Å; K38-E101 HydrophobicContact CG-CB 4.41Å; A87-E101 CarbonylContact C-O 3.45Å; A87-E101 WeakPolarHBondContact CA-O 3.15Å; T88-E101 PolarHBondContact N-O 2.85Å; T88-E101 PolarHBondContact O-N 2.86Å; E101-R103 HydrophobicContact CG-CG 4.38Å; E101-R103 IonicContact OE1-CZ 3.54Å; E101-R103 IonicContact OE1-NE 2.86Å; E101-R103 PolarHBondContact OE1-NE 2.84Å; E101-R103 IonicContact OE1-NH2 3.35Å; E101-R103 PolarHBondContact OE1-NH2 3.08Å; E101-R103 IonicContact OE2-CZ 3.71Å; E101-R103 IonicContact OE2-NE 3.64Å; E101-R103 IonicContact OE2-NH2 2.91Å; E101-R103 PolarHBondContact OE2-NH2 2.85Å
102	L	98.2	Very high	97.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.5	170.8	-62.3	172.8	0	0	0	108.9	S36 V37 M39 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.5Å; S36-L102 WeakPolarHBondContact CA-O 3.37Å; S36-L102 WeakPolarHBondContact CB-O 3.19Å; V37-L102 HydrophobicContact CG1-CB 4.19Å; V37-L102 PolarHBondContact N-O 3.22Å; V37-L102 PolarHBondContact O-N 2.03Å; M39-L102 HydrophobicContact CE-CD1 3.99Å; K86-L102 WeakPolarHBondContact O-CA 3.42Å; A87-L102 HydrophobicContact CB-CD2 3.68Å; M100-L102 HydrophobicContact CE-CD1 4.15Å; M100-L102 HydrophobicContact CE-CD2 4.44Å; M100-L102 HydrophobicContact CE-CG 4.26Å; M100-L102 HydrophobicContact CG-CD2 4.24Å; M100-L102 HydrophobicContact CG-CG 4.27Å; M100-L102 HydrophobicContact SD-CD2 4.04Å; M100-L102 HydrophobicContact SD-CG 4.38Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CB-CG 4.48Å; L102-L105 HydrophobicContact CD1-CD2 4.26Å; L102-Y113 HydrophobicContact CD1-CD1 4.17Å; L102-Y113 HydrophobicContact CD1-CE1 3.48Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.48Å; L102-Y113 HydrophobicContact CD1-CE2 4.13Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.45Å
103	R	97.8	Very high	97.2	Very high	108 Å²	108	56.2 Å²	56.2	41%	0.408	32%	0.322	S	S	.	.			trans	-114.8	157.9	-176.4	-59.1	-175.1	175.7	157.8	7.1	112.1	S36 K86 E101 L105	S36-R103 WeakPolarHBondContact OG-CA 3.35Å; K86-R103 WeakPolarHBondContact CG-O 3.26Å; K86-R103 PolarHBondContact O-N 3.46Å; E101-R103 HydrophobicContact CG-CG 4.38Å; E101-R103 IonicContact OE1-CZ 3.54Å; E101-R103 IonicContact OE1-NE 2.86Å; E101-R103 PolarHBondContact OE1-NE 2.84Å; E101-R103 IonicContact OE1-NH2 3.35Å; E101-R103 PolarHBondContact OE1-NH2 3.08Å; E101-R103 IonicContact OE2-CZ 3.71Å; E101-R103 IonicContact OE2-NE 3.64Å; E101-R103 IonicContact OE2-NH2 2.91Å; E101-R103 PolarHBondContact OE2-NH2 2.85Å; R103-L105 VanDerWaalsContact C-N 3.33Å; R103-L105 PolarHBondContact O-N 3.37Å
104	S	97	Very high	97.3	Very high	83 Å²	83	55.8 Å²	55.8	58%	0.58	32%	0.318	S	S	*	.	S	Bend	trans	51.7	50.9	175.3	-54.1	0	0	0	0	112.2	A35	A35-S104 PolarHBondContact O-N 3.03Å
105	L	97.4	Very high	97.4	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.068	29%	0.285	C	S	.	.			trans	-66	143.2	-172.7	-69.3	168	0	0	0	112.3	V31 P33 G34 A35 V37 L102 R103 D109	V31-L105 HydrophobicContact CG2-CD1 3.56Å; P33-L105 CarbonylContact C-O 3.55Å; P33-L105 WeakPolarHBondContact CA-O 2.97Å; G34-L105 PolarHBondContact N-O 3.04Å; A35-L105 PolarHBondContact O-N 3.24Å; V37-L105 HydrophobicContact CB-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD1 3.73Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CB-CG 4.48Å; L102-L105 HydrophobicContact CD1-CD2 4.26Å; R103-L105 VanDerWaalsContact C-N 3.33Å; R103-L105 PolarHBondContact O-N 3.37Å; L105-D109 WeakPolarHBondContact CA-OD2 3.46Å; L105-D109 HydrophobicContact CD2-CB 3.57Å
106	T	96.2	Very high	97.4	Very high	65 Å²	65	51.1 Å²	51.1	40%	0.399	29%	0.288	S	S	.	.			trans	-119.1	173.3	174	69.8	0	0	0	0	110	E108 D109	T106-E108 PolarHBondContact O-N 2.99Å; T106-E108 PolarHBondContact OG1-N 3.43Å; T106-D109 PolarHBondContact N-OD2 3.5Å; T106-D109 WeakPolarHBondContact O-CB 3.27Å; T106-D109 PolarHBondContact O-N 2.76Å; T106-D109 PolarHBondContact OG1-OD2 3.3Å
107	S	94.6	Very high	97.1	Very high	105 Å²	105	54.7 Å²	54.7	73%	0.734	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.3	-26.2	173.8	50.8	0	0	0	0	112.9	D109 S110	S107-D109 PolarHBondContact O-N 2.97Å; S107-S110 WeakPolarHBondContact O-CB 3.29Å; S107-S110 PolarHBondContact O-N 3Å
108	E	93.7	Very high	97	Very high	153 Å²	153	57 Å²	57	72%	0.715	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.4	-16.9	176.6	-58.7	-175.4	168.6	0	0	113.4	K57 T106 S110	K57-E108 PolarHBondContact NZ-O 2.93Å; T106-E108 PolarHBondContact O-N 2.99Å; T106-E108 PolarHBondContact OG1-N 3.43Å; E108-S110 VanDerWaalsContact C-N 3.34Å
109	D	95.4	Very high	96.9	Very high	12 Å²	12	60 Å²	60	6%	0.064	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-87.2	-3.6	175.9	-57.5	-54.7	0	0	0	113.5	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.66Å; K86-D109 WeakPolarHBondContact CE-OD1 3.1Å; K86-D109 WeakPolarHBondContact CE-OD2 3.45Å; K86-D109 IonicContact NZ-OD1 2.78Å; K86-D109 PolarHBondContact NZ-OD1 2.8Å; K86-D109 IonicContact NZ-OD2 2.57Å; K86-D109 PolarHBondContact NZ-OD2 3.03Å; L105-D109 WeakPolarHBondContact CA-OD2 3.46Å; L105-D109 HydrophobicContact CD2-CB 3.57Å; T106-D109 PolarHBondContact N-OD2 3.5Å; T106-D109 WeakPolarHBondContact O-CB 3.27Å; T106-D109 PolarHBondContact O-N 2.76Å; T106-D109 PolarHBondContact OG1-OD2 3.3Å; S107-D109 PolarHBondContact O-N 2.97Å; D109-A111 PolarHBondContact O-N 3.38Å; D109-Y113 WeakPolarHBondContact O-CE2 3.45Å; D109-Y113 PolarHBondContact O-OH 2.94Å
110	S	96.1	Very high	96.8	Very high	98 Å²	98	60.1 Å²	60.1	69%	0.685	33%	0.329	S	S	*	.			trans	-65	106.2	171.8	-170.5	0	0	0	0	109.8	S107 E108	S107-S110 WeakPolarHBondContact O-CB 3.29Å; S107-S110 PolarHBondContact O-N 3Å; E108-S110 VanDerWaalsContact C-N 3.34Å
111	A	97	Very high	96.7	Very high	31 Å²	31	63.6 Å²	63.6	26%	0.256	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	165.3	-170.3	0	0	0	0	0	110.7	K57 Q58 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.21Å; K57-A111 HydrophobicContact CG-CB 3.59Å; Q58-A111 WeakPolarHBondContact O-CA 3.31Å; Q58-A111 VanDerWaalsContact O-CB 3.26Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; D109-A111 PolarHBondContact O-N 3.38Å; A111-Y113 HydrophobicContact CB-CD2 4.38Å; A111-Y113 HydrophobicContact CB-CE2 3.85Å
112	V	97.2	Very high	96.6	Very high	74 Å²	74	64.6 Å²	64.6	45%	0.448	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.2	161.6	-173.4	0	0	0	0	108	Q58 Y114	Q58-V112 HydrophobicContact CB-CB 4.42Å; Q58-V112 PolarHBondContact N-O 3.12Å; Q58-V112 PolarHBondContact O-N 3.1Å; V112-Y114 HydrophobicContact CB-CE2 4Å; V112-Y114 HydrophobicContact CG1-CD1 4.48Å; V112-Y114 HydrophobicContact CG1-CD2 4.23Å; V112-Y114 HydrophobicContact CG1-CE1 3.87Å; V112-Y114 HydrophobicContact CG1-CE2 3.58Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.31Å
113	Y	98	Very high	96.5	Very high	28 Å²	28	68.9 Å²	68.9	11%	0.11	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.7	177.4	-70.1	-89.4	0	0	0	109	Q25 M39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.19Å; Q25-Y113 PolarHBondContact OE1-O 3.08Å; M39-Y113 HydrophobicContact CE-CD1 4.41Å; M39-Y113 HydrophobicContact CE-CD2 4.12Å; M39-Y113 HydrophobicContact CE-CG 3.94Å; M39-Y113 HydrophobicContact SD-CG 4.12Å; V56-Y113 WeakPolarHBondContact O-CA 3.49Å; K57-Y113 HydrophobicContact CB-CD1 4.17Å; K57-Y113 HydrophobicContact CB-CE1 3.91Å; K57-Y113 HydrophobicContact CD-CE1 4.06Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.72Å; I67-Y113 HydrophobicContact CD1-CD1 3.65Å; I67-Y113 HydrophobicContact CD1-CE1 3.73Å; M100-Y113 HydrophobicContact CE-CD1 3.59Å; M100-Y113 HydrophobicContact CE-CE1 4.22Å; M100-Y113 HydrophobicContact CE-CG 4.17Å; L102-Y113 HydrophobicContact CD1-CD1 4.17Å; L102-Y113 HydrophobicContact CD1-CE1 3.48Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.48Å; L102-Y113 HydrophobicContact CD1-CE2 4.13Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.45Å; D109-Y113 WeakPolarHBondContact O-CE2 3.45Å; D109-Y113 PolarHBondContact O-OH 2.94Å; A111-Y113 HydrophobicContact CB-CD2 4.38Å; A111-Y113 HydrophobicContact CB-CE2 3.85Å
114	Y	98.1	Very high	96.4	Very high	99 Å²	99	66.1 Å²	66.1	39%	0.388	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139	-179.7	-63.2	-78.9	0	0	0	110.5	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.39Å; V56-Y114 PolarHBondContact N-O 3.25Å; V56-Y114 PolarHBondContact O-N 3.32Å; Q58-Y114 HydrophobicContact CB-CD2 4.41Å; Q58-Y114 HydrophobicContact CB-CE2 3.88Å; Q58-Y114 PolarHBondContact OE1-OH 3.43Å; V112-Y114 HydrophobicContact CB-CE2 4Å; V112-Y114 HydrophobicContact CG1-CD1 4.48Å; V112-Y114 HydrophobicContact CG1-CD2 4.23Å; V112-Y114 HydrophobicContact CG1-CE1 3.87Å; V112-Y114 HydrophobicContact CG1-CE2 3.58Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.31Å
115	C	98.4	Very high	96.4	Very high	12 Å²	12	64.8 Å²	64.8	8%	0.081	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.3	157.5	65.4	0	0	0	0	110.3	Q25 C41 M53 H54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.42Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.4Å; C41-C115 WeakPolarHBondContact SG-CB 3.17Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 3.45Å; M53-C115 HydrophobicContact CG-CB 4.4Å; M53-C115 HydrophobicContact SD-CB 3.73Å; H54-C115 CarbonylContact O-C 3.58Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.28Å; W55-C115 HydrophobicContact CD2-CB 4.35Å; W55-C115 HydrophobicContact CE3-CB 4.12Å; W55-C115 HydrophobicContact CH2-CB 4.14Å; W55-C115 HydrophobicContact CZ2-CB 4.35Å; W55-C115 HydrophobicContact CZ3-CB 4Å
116	A	98	Very high	96.3	Very high	39 Å²	39	69.1 Å²	69.1	32%	0.322	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.3	178.2	0	0	0	0	0	110.3	M53 H54	M53-A116 VanDerWaalsContact SD-O 3.33Å; H54-A116 HydrophobicContact CB-CB 4.43Å; H54-A116 PolarHBondContact N-O 3.45Å; H54-A116 PolarHBondContact O-N 3.42Å
117	R	93.1	Very high	96.3	Very high	113 Å²	113	69.5 Å²	69.5	43%	0.426	39%	0.385	S	S	.	.			trans	-108.6	0	171.3	72.7	167.2	-141.7	153.1	7.9	111.1

Retrieved 117 of 117 residues in 119.6 ms (Link to these results)

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