A0A075B5Y3_MOUSE Loading...

Immunoglobulin heavy variable 1-80

AlphaFold DB , UniProt , Accession A0A075B5Y3, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-80, Length 117 aa.

						>A0A075B5Y3_MOUSE|A0A075B5Y3|Ighv1-80
MEWPLIFLFLLSGTAGVQSQVQLQQSGAELVKPGASVKISCKASGYAFSSYWMNWVKQRPGKGLEWIGQIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCAR
					

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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	45.3	Very low	58.2	Low	228 Å²	228	167.6 Å²	167.6	100%	1.123	82%	0.815	S	S	*	*				0	60.7	0	-83.8	177.3	-79.2	0	0	107.3
2	E	51.9	Low	58.8	Low	183 Å²	183	162.8 Å²	162.8	86%	0.855	81%	0.81	S	S	*	*				80.3	86.3	81.1	-60.9	-57.2	125.7	0	0	109.4
3	W	48.2	Very low	59.4	Low	245 Å²	245	156 Å²	156	93%	0.928	81%	0.807	S	S	*	*			trans	-105.2	114.3	171.6	-160	-7	0	0	0	106.8	L5	W3-L5 PolarHBondContact O-N 2.77Å
4	P	64.9	Low	59.9	Low	104 Å²	104	154.5 Å²	154.5	68%	0.675	81%	0.809	S	S	*	*			trans	-86.7	116.1	176	30.6	-26	0	0	0	109.2	I6	P4-I6 PolarHBondContact O-N 3.08Å
5	L	57.3	Low	60.2	Low	139 Å²	139	150.2 Å²	150.2	73%	0.728	81%	0.805	S	S	*	*			trans	-67.2	113.6	164.4	-70.1	156.6	0	0	0	108.5	W3 F7	W3-L5 PolarHBondContact O-N 2.77Å; L5-F7 HydrophobicContact CB-CD2 4.15Å; L5-F7 HydrophobicContact CB-CE2 3.89Å; L5-F7 HydrophobicContact CD1-CE2 4.21Å; L5-F7 HydrophobicContact CD2-CE2 3.89Å; L5-F7 HydrophobicContact CD2-CZ 4.02Å; L5-F7 HydrophobicContact CG-CE2 4.22Å
6	I	68.1	Low	60.4	Low	141 Å²	141	144.9 Å²	144.9	72%	0.723	80%	0.796	S	S	*	*			trans	-105.5	98.2	164.9	-63.3	176.4	0	0	0	107.3	P4 L8	P4-I6 PolarHBondContact O-N 3.08Å; I6-L8 HydrophobicContact CG2-CD1 4.35Å; I6-L8 HydrophobicContact CG2-CG 4.25Å; I6-L8 PolarHBondContact O-N 3.03Å
7	F	61.5	Low	60.8	Low	151 Å²	151	144.5 Å²	144.5	66%	0.662	80%	0.799	S	S	*	*			trans	-83	102.3	167.2	-70.8	-78.4	0	0	0	108.9	L5 F9	L5-F7 HydrophobicContact CB-CD2 4.15Å; L5-F7 HydrophobicContact CB-CE2 3.89Å; L5-F7 HydrophobicContact CD1-CE2 4.21Å; L5-F7 HydrophobicContact CD2-CE2 3.89Å; L5-F7 HydrophobicContact CD2-CZ 4.02Å; L5-F7 HydrophobicContact CG-CE2 4.22Å; F7-F9 HydrophobicContact CB-CD2 4.25Å; F7-F9 HydrophobicContact CB-CE2 4.1Å; F7-F9 PolarHBondContact O-N 3.45Å
8	L	60.7	Low	61.1	Low	146 Å²	146	146.4 Å²	146.4	76%	0.764	80%	0.801	S	S	*	*			trans	-82.2	101.9	166	-86.9	150.8	0	0	0	108.8	I6 L10	I6-L8 HydrophobicContact CG2-CD1 4.35Å; I6-L8 HydrophobicContact CG2-CG 4.25Å; I6-L8 PolarHBondContact O-N 3.03Å; L8-L10 PolarHBondContact O-N 3.21Å
9	F	58.2	Low	62.1	Low	180 Å²	180	142.9 Å²	142.9	79%	0.789	79%	0.788	S	S	*	*			trans	-84.7	103.1	166.4	-82.2	-85.3	0	0	0	109.4	F7	F7-F9 HydrophobicContact CB-CD2 4.25Å; F7-F9 HydrophobicContact CB-CE2 4.1Å; F7-F9 PolarHBondContact O-N 3.45Å
10	L	62.5	Low	63.6	Low	151 Å²	151	142.8 Å²	142.8	79%	0.791	78%	0.781	S	S	*	*			trans	-89.3	101.5	167.4	-68.8	171.6	0	0	0	108.7	L8 S12	L8-L10 PolarHBondContact O-N 3.21Å; L10-S12 PolarHBondContact O-N 3.33Å
11	L	62.1	Low	65.1	Low	176 Å²	176	139.6 Å²	139.6	92%	0.921	77%	0.766	S	S	*	*			trans	-72	93.2	167	-77.2	162.7	0	0	0	108.5	G13	L11-G13 PolarHBondContact O-N 3.41Å; L11-G13 VanDerWaalsContact O-N 3.16Å
12	S	64.7	Low	67.5	Low	109 Å²	109	133.6 Å²	133.6	76%	0.762	74%	0.735	S	S	*	*			trans	-81.6	86.8	171.2	36.9	0	0	0	0	109.2	L10 T14	L10-S12 PolarHBondContact O-N 3.33Å; S12-T14 PolarHBondContact O-N 2.9Å
13	G	66.7	Low	69.7	Low	75 Å²	75	127.5 Å²	127.5	77%	0.773	71%	0.708	S	S	*	*			trans	-76.2	99.7	167.1	0	0	0	0	0	109.9	L11 A15	L11-G13 PolarHBondContact O-N 3.41Å; L11-G13 VanDerWaalsContact O-N 3.16Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 3.21Å
14	T	66.9	Low	72.1	Confident	135 Å²	135	122.5 Å²	122.5	83%	0.828	70%	0.695	S	S	*	*			trans	-76.6	86.8	167.5	50	0	0	0	0	108.7	S12 G16	S12-T14 PolarHBondContact O-N 2.9Å; T14-G16 PolarHBondContact O-N 2.79Å
15	A	64.6	Low	73.7	Confident	90 Å²	90	119.8 Å²	119.8	74%	0.744	67%	0.674	S	S	*	*			trans	-64.7	106	162.3	0	0	0	0	0	107.2	G13 V17	G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 3.21Å; A15-V17 PolarHBondContact O-N 2.96Å; A15-V17 VanDerWaalsContact O-N 3.12Å
16	G	62.8	Low	75.7	Confident	65 Å²	65	115 Å²	115	67%	0.67	65%	0.652	S	S	*	*			trans	-57.7	117.5	172.9	0	0	0	0	0	109.3	T14 Q18	T14-G16 PolarHBondContact O-N 2.79Å; G16-Q18 PolarHBondContact O-N 3.41Å
17	V	67.3	Low	77	Confident	138 Å²	138	111.2 Å²	111.2	84%	0.836	65%	0.648	S	S	*	*			trans	-74	94	177.5	-178.9	0	0	0	0	108	A15	A15-V17 PolarHBondContact O-N 2.96Å; A15-V17 VanDerWaalsContact O-N 3.12Å
18	Q	65.3	Low	78.7	Confident	179 Å²	179	109.2 Å²	109.2	84%	0.836	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-75.7	120	164.4	-67.1	-66.9	-58.7	0	0	107.7	G16	G16-Q18 PolarHBondContact O-N 3.41Å
19	S	80.3	Confident	80.4	Confident	80 Å²	80	108.2 Å²	108.2	56%	0.559	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-84.1	128.4	174.7	-159	0	0	0	0	109.7	G45	S19-G45 WeakPolarHBondContact OG-CA 3.44Å
20	Q	92.4	Very high	82.3	Confident	141 Å²	141	108 Å²	108	66%	0.659	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-74.1	126.5	174.6	-173.1	-173.2	32.7	0	0	109.4	Q22	Q20-Q22 HydrophobicContact CG-CG 4.31Å; Q20-Q22 PolarHBondContact O-N 3.22Å
21	V	94.9	Very high	83.8	Confident	75 Å²	75	103.5 Å²	103.5	46%	0.455	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-67.6	126.6	171.2	177.4	0	0	0	0	109.2	S44 Y46	V21-S44 WeakPolarHBondContact CA-O 3.45Å; V21-Y46 HydrophobicContact CG1-CD1 3.87Å; V21-Y46 HydrophobicContact CG1-CE1 4Å; V21-Y46 HydrophobicContact CG2-CD1 4.34Å
22	Q	97.3	Very high	85.5	Confident	103 Å²	103	103.2 Å²	103.2	48%	0.481	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.9	144	174.7	-57.7	-178.8	-23.8	0	0	110.8	Q20 S44	Q20-Q22 HydrophobicContact CG-CG 4.31Å; Q20-Q22 PolarHBondContact O-N 3.22Å; Q22-S44 PolarHBondContact N-O 2.9Å; Q22-S44 PolarHBondContact O-N 2.89Å
23	L	98.2	Very high	87	Confident	55 Å²	55	103.3 Å²	103.3	29%	0.288	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	112.8	174.8	-61.8	-177.7	0	0	0	108.4	K42 A43 Y46 M53	L23-K42 WeakPolarHBondContact CA-O 3.07Å; L23-A43 HydrophobicContact CD2-CB 3.92Å; L23-Y46 HydrophobicContact CD2-CE1 4.16Å; L23-M53 HydrophobicContact CD1-SD 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.72Å; L23-M53 HydrophobicContact CD2-SD 4.48Å
24	Q	98.2	Very high	88.4	Confident	139 Å²	139	102.3 Å²	102.3	65%	0.65	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.5	113.1	-179.5	179.7	59.9	64.6	0	0	110	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.01Å; Q24-K42 PolarHBondContact N-O 3.37Å; Q24-K42 PolarHBondContact O-N 3.49Å
25	Q	98.5	Very high	89.9	Confident	48 Å²	48	97.6 Å²	97.6	22%	0.224	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	156.2	177.3	-72.1	-177.1	-122.4	0	0	113	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.56Å; Q25-S40 WeakPolarHBondContact CA-O 3.16Å; Q25-C41 HydrophobicContact CG-CB 4.18Å; Q25-Y113 PolarHBondContact NE2-O 2.6Å; Q25-Y113 PolarHBondContact OE1-O 3.42Å; Q25-C115 HydrophobicContact CG-CB 4.5Å; Q25-C115 WeakPolarHBondContact CG-SG 3.28Å
26	S	97.9	Very high	91.5	Very high	38 Å²	38	96.3 Å²	96.3	27%	0.266	57%	0.574	S	S	.	*			trans	-59.4	158.3	164.1	55.3	0	0	0	0	111.5	S40	S26-S40 WeakPolarHBondContact CB-OG 3.49Å; S26-S40 PolarHBondContact N-O 3.31Å; S26-S40 PolarHBondContact OG-N 2.79Å; S26-S40 VanDerWaalsContact OG-N 3.12Å
27	G	97.3	Very high	93.2	Very high	62 Å²	62	94.1 Å²	94.1	64%	0.639	55%	0.548	S	S	*	.			trans	-67.1	-179.6	-179.6	0	0	0	0	0	114.3
28	A	97.2	Very high	94.6	Very high	109 Å²	109	92.9 Å²	92.9	90%	0.901	53%	0.531	S	S	*	.			trans	-67.7	143.4	175.5	0	0	0	0	0	111.3
29	E	96.3	Very high	96.2	Very high	124 Å²	124	85.1 Å²	85.1	58%	0.579	50%	0.495	S	S	*	.			trans	-124	129.6	-177.5	-72.8	-78.7	-169.1	0	0	109.6	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.4Å; E29-V37 HydrophobicContact CB-CG2 3.7Å; E29-V37 HydrophobicContact CG-CG2 3.65Å
30	L	96.6	Very high	97.1	Very high	175 Å²	175	82.8 Å²	82.8	92%	0.916	48%	0.479	S	S	*	.			trans	-105.6	114.8	171.2	-179.2	64.1	0	0	0	108.8
31	V	95.6	Very high	97.4	Very high	57 Å²	57	76.1 Å²	76.1	35%	0.345	45%	0.448	S	S	.	.			trans	-126.8	149.4	-172.3	-64.2	0	0	0	0	111.3	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.4Å; V31-A35 HydrophobicContact CB-CB 4.4Å; V31-V37 HydrophobicContact CG1-CB 4.29Å; V31-V37 HydrophobicContact CG1-CG2 4.32Å; V31-L105 HydrophobicContact CB-CD1 4.48Å; V31-L105 HydrophobicContact CG2-CD1 3.53Å
32	K	96.3	Very high	97.5	Very high	171 Å²	171	78.3 Å²	78.3	74%	0.743	45%	0.451	S	S	*	.			trans	-75.5	150.1	175.4	-62.6	-178.2	-178.9	178.4	0	110.3	G34 A35	K32-G34 PolarHBondContact O-N 3.02Å; K32-A35 WeakPolarHBondContact O-CB 3.27Å; K32-A35 PolarHBondContact O-N 2.76Å; K32-A35 VanDerWaalsContact O-N 3.1Å
33	P	96.3	Very high	97.6	Very high	111 Å²	111	73.7 Å²	73.7	72%	0.721	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	140.8	168.9	-25.3	34.7	0	0	0	111.8	A35 L105	P33-A35 PolarHBondContact O-N 3.25Å; P33-L105 CarbonylContact C-O 3.53Å; P33-L105 WeakPolarHBondContact CA-O 3.4Å
34	G	97.2	Very high	97.5	Very high	53 Å²	53	73.6 Å²	73.6	55%	0.546	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-16.3	-174.9	0	0	0	0	0	114.9	K32 L105	K32-G34 PolarHBondContact O-N 3.02Å; G34-L105 PolarHBondContact N-O 2.99Å
35	A	98	Very high	97.4	Very high	37 Å²	37	68.2 Å²	68.2	31%	0.306	42%	0.416	S	S	.	.			trans	-71.2	170.8	177	0	0	0	0	0	112.2	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.4Å; K32-A35 WeakPolarHBondContact O-CB 3.27Å; K32-A35 PolarHBondContact O-N 2.76Å; K32-A35 VanDerWaalsContact O-N 3.1Å; P33-A35 PolarHBondContact O-N 3.25Å; A35-S104 PolarHBondContact O-N 2.99Å; A35-L105 WeakPolarHBondContact O-CG 3.46Å; A35-L105 PolarHBondContact O-N 3.15Å
36	S	97.7	Very high	97.2	Very high	63 Å²	63	67.8 Å²	67.8	44%	0.441	41%	0.413	S	S	.	.			trans	-113.9	151.9	171.4	-56.4	0	0	0	0	110.3	L102 S103	S36-L102 CarbonylContact C-O 3.55Å; S36-L102 WeakPolarHBondContact CA-O 3.01Å; S36-L102 VanDerWaalsContact CB-O 3.32Å; S36-L102 WeakPolarHBondContact CB-O 3.41Å; S36-S103 WeakPolarHBondContact OG-CA 3Å
37	V	97.9	Very high	97.1	Very high	19 Å²	19	68.6 Å²	68.6	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.7	173.6	73.5	0	0	0	0	109.7	E29 V31 I39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.7Å; E29-V37 HydrophobicContact CG-CG2 3.65Å; V31-V37 HydrophobicContact CG1-CB 4.29Å; V31-V37 HydrophobicContact CG1-CG2 4.32Å; V37-I39 HydrophobicContact CG1-CG1 4.4Å; V37-Q101 CarbonylContact O-C 3.58Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.29Å; V37-L102 HydrophobicContact CG1-CB 4.15Å; V37-L102 HydrophobicContact CG1-CD1 4.44Å; V37-L102 PolarHBondContact N-O 2.65Å; V37-L102 PolarHBondContact O-N 3.25Å; V37-L105 HydrophobicContact CB-CD1 4Å; V37-L105 HydrophobicContact CG1-CD1 3.75Å
38	K	98.1	Very high	97.1	Very high	111 Å²	111	66 Å²	66	48%	0.483	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.8	174.7	-172.6	177.6	-178.1	-178.4	0	109.6	Y99 M100	K38-Y99 HydrophobicContact CD-CD1 4.37Å; K38-Y99 VanDerWaalsContact CE-CD1 3.48Å; K38-Y99 HydrophobicContact CG-CD1 4.33Å; K38-M100 WeakPolarHBondContact CA-O 3.36Å
39	I	98.4	Very high	97.1	Very high	16 Å²	16	63.3 Å²	63.3	8%	0.082	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.4	179.8	-56.6	170.4	0	0	0	107.8	V37 W55 Y99 M100 Y113	V37-I39 HydrophobicContact CG1-CG1 4.4Å; I39-W55 HydrophobicContact CB-CH2 4.27Å; I39-W55 HydrophobicContact CB-CZ3 4.14Å; I39-W55 HydrophobicContact CG2-CH2 3.93Å; I39-W55 HydrophobicContact CG2-CZ3 3.69Å; I39-Y99 CarbonylContact O-C 3.58Å; I39-Y99 VanDerWaalsContact O-CA 3.25Å; I39-Y99 WeakPolarHBondContact O-CA 3.38Å; I39-M100 HydrophobicContact CD1-CE 3.77Å; I39-M100 PolarHBondContact N-O 3.09Å; I39-M100 PolarHBondContact O-N 3.11Å; I39-Y113 HydrophobicContact CD1-CD2 4Å; I39-Y113 HydrophobicContact CD1-CG 3.9Å
40	S	98.6	Very high	97.2	Very high	32 Å²	32	60.2 Å²	60.2	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.5	173.6	68.9	0	0	0	0	111.1	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.56Å; Q25-S40 WeakPolarHBondContact CA-O 3.16Å; S26-S40 WeakPolarHBondContact CB-OG 3.49Å; S26-S40 PolarHBondContact N-O 3.31Å; S26-S40 PolarHBondContact OG-N 2.79Å; S26-S40 VanDerWaalsContact OG-N 3.12Å; S40-A98 CarbonylContact C-O 3.55Å; S40-A98 WeakPolarHBondContact CA-O 3.25Å
41	C	98.7	Very high	97.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	104	172.7	176.4	0	0	0	0	109	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.01Å; Q25-C41 HydrophobicContact CG-CB 4.18Å; C41-W55 HydrophobicContact CB-CH2 3.81Å; C41-W55 HydrophobicContact CB-CZ2 4.04Å; C41-T97 WeakPolarHBondContact O-CA 3.39Å; C41-A98 PolarHBondContact N-O 3.34Å; C41-A98 PolarHBondContact O-N 3.03Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.17Å; C41-C115 WeakPolarHBondContact SG-CB 3.48Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.41Å
42	K	98.5	Very high	97.3	Very high	121 Å²	121	58.9 Å²	58.9	53%	0.526	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.6	178.4	-174.5	173.7	-176.2	178.5	0	110	L23 Q24	L23-K42 WeakPolarHBondContact CA-O 3.07Å; Q24-K42 PolarHBondContact N-O 3.37Å; Q24-K42 PolarHBondContact O-N 3.49Å
43	A	98.3	Very high	97.4	Very high	6 Å²	6	50.7 Å²	50.7	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142	179.7	0	0	0	0	0	111.8	L23 Y46 F48 M53 S96	L23-A43 HydrophobicContact CD2-CB 3.92Å; A43-Y46 HydrophobicContact CB-CE1 3.53Å; A43-Y46 VanDerWaalsContact CB-OH 3.23Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; A43-F48 HydrophobicContact CB-CB 4.42Å; A43-F48 HydrophobicContact CB-CD2 3.49Å; A43-F48 VanDerWaalsContact CB-CD2 3.49Å; A43-F48 HydrophobicContact CB-CE2 4.09Å; A43-F48 HydrophobicContact CB-CG 4.25Å; A43-M53 HydrophobicContact CB-CE 4.45Å; A43-S96 PolarHBondContact N-O 2.84Å; A43-S96 WeakPolarHBondContact O-CB 3.47Å
44	S	97.1	Very high	97.6	Very high	53 Å²	53	47.1 Å²	47.1	37%	0.371	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.7	168.9	63.4	0	0	0	0	111.3	V21 Q22 Y46	V21-S44 WeakPolarHBondContact CA-O 3.45Å; Q22-S44 PolarHBondContact N-O 2.9Å; Q22-S44 PolarHBondContact O-N 2.89Å; S44-Y46 WeakPolarHBondContact O-CD1 3.44Å
45	G	95.5	Very high	97.6	Very high	26 Å²	26	44.6 Å²	44.6	27%	0.268	25%	0.251	S	S	.	.	S	Bend	trans	80.7	14	178.4	0	0	0	0	0	115.9	S19	S19-G45 WeakPolarHBondContact OG-CA 3.44Å
46	Y	94.3	Very high	97.6	Very high	40 Å²	40	44.1 Å²	44.1	16%	0.157	24%	0.244	C	C	.	.	S	Bend	trans	-159.4	169.4	172.6	69.4	-84.9	0	0	0	112.5	V21 L23 A43 S44 F48 Y51 M53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.87Å; V21-Y46 HydrophobicContact CG1-CE1 4Å; V21-Y46 HydrophobicContact CG2-CD1 4.34Å; L23-Y46 HydrophobicContact CD2-CE1 4.16Å; A43-Y46 HydrophobicContact CB-CE1 3.53Å; A43-Y46 VanDerWaalsContact CB-OH 3.23Å; A43-Y46 WeakPolarHBondContact CB-OH 3.49Å; S44-Y46 WeakPolarHBondContact O-CD1 3.44Å; Y46-F48 VanDerWaalsContact CE2-CA 3.44Å; Y46-F48 HydrophobicContact CE2-CB 4.3Å; Y46-F48 HydrophobicContact CE2-CD2 4.35Å; Y46-F48 PolarHBondContact O-N 2.85Å; Y46-Y51 AromaticContact CD2-CD2 3.96Å; Y46-Y51 HydrophobicContact CD2-CD2 3.96Å; Y46-Y51 HydrophobicContact CE2-CD2 4.4Å; Y46-M53 VanDerWaalsContact OH-CE 3.29Å; Y46-M53 WeakPolarHBondContact OH-CE 3.45Å; Y46-R117 VanDerWaalsContact CD2-NE 3.27Å; Y46-R117 VanDerWaalsContact CE2-CZ 3.41Å; Y46-R117 WeakPolarHBondContact OH-CD 3.48Å
47	A	95.9	Very high	97.6	Very high	55 Å²	55	41.1 Å²	41.1	46%	0.455	22%	0.223	S	C	.	.			trans	-71.2	88.9	171.9	0	0	0	0	0	111.3	S49 S50 Y51	A47-S49 PolarHBondContact O-N 2.88Å; A47-S49 VanDerWaalsContact O-N 3.15Å; A47-S50 PolarHBondContact O-N 2.74Å; A47-Y51 WeakPolarHBondContact O-CD2 3.13Å
48	F	97.3	Very high	97.6	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.026	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-49.8	-40.6	-176	174.4	-111.7	0	0	0	114.3	A43 Y46 S50 M53 P72 A91 S96 A98	A43-F48 HydrophobicContact CB-CB 4.42Å; A43-F48 HydrophobicContact CB-CD2 3.49Å; A43-F48 VanDerWaalsContact CB-CD2 3.49Å; A43-F48 HydrophobicContact CB-CE2 4.09Å; A43-F48 HydrophobicContact CB-CG 4.25Å; Y46-F48 VanDerWaalsContact CE2-CA 3.44Å; Y46-F48 HydrophobicContact CE2-CB 4.3Å; Y46-F48 HydrophobicContact CE2-CD2 4.35Å; Y46-F48 PolarHBondContact O-N 2.85Å; F48-S50 PolarHBondContact O-N 3.01Å; F48-M53 HydrophobicContact CD2-CE 4.45Å; F48-M53 HydrophobicContact CE2-CE 3.96Å; F48-P72 HydrophobicContact CD1-CB 3.88Å; F48-P72 HydrophobicContact CD1-CG 4.28Å; F48-P72 HydrophobicContact CD2-CG 4.22Å; F48-P72 HydrophobicContact CE1-CB 3.46Å; F48-P72 VanDerWaalsContact CE1-CB 3.46Å; F48-P72 HydrophobicContact CE1-CG 3.81Å; F48-P72 HydrophobicContact CE2-CB 4.32Å; F48-P72 HydrophobicContact CE2-CG 3.73Å; F48-P72 HydrophobicContact CG-CG 4.49Å; F48-P72 HydrophobicContact CZ-CB 3.7Å; F48-P72 HydrophobicContact CZ-CG 3.51Å; F48-A91 HydrophobicContact CE1-CB 4.13Å; F48-A91 HydrophobicContact CZ-CB 4Å; F48-S96 VanDerWaalsContact CD1-CA 3.48Å; F48-A98 HydrophobicContact CE2-CB 4.27Å; F48-A98 HydrophobicContact CZ-CB 4.07Å
49	S	97.6	Very high	97.5	Very high	53 Å²	53	41.8 Å²	41.8	37%	0.371	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-71.1	-6.9	-179.2	54.9	0	0	0	0	115.1	A47 G73	A47-S49 PolarHBondContact O-N 2.88Å; A47-S49 VanDerWaalsContact O-N 3.15Å; S49-G73 WeakPolarHBondContact O-CA 3.41Å; S49-G73 PolarHBondContact O-N 3.24Å
50	S	97	Very high	97.3	Very high	59 Å²	59	46.5 Å²	46.5	41%	0.413	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-106.8	5.9	-173.8	-50.3	0	0	0	0	114	A47 F48	A47-S50 PolarHBondContact O-N 2.74Å; F48-S50 PolarHBondContact O-N 3.01Å
51	Y	97.2	Very high	97.1	Very high	116 Å²	116	49.1 Å²	49.1	46%	0.455	29%	0.287	S	S	.	.	S	Bend	trans	-144.1	147.3	-174.6	-65.1	-97.3	0	0	0	112.2	Y46 A47 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.96Å; Y46-Y51 HydrophobicContact CD2-CD2 3.96Å; Y46-Y51 HydrophobicContact CE2-CD2 4.4Å; A47-Y51 WeakPolarHBondContact O-CD2 3.13Å; Y51-P72 WeakPolarHBondContact O-CD 3.4Å; Y51-R117 VanDerWaalsContact CG-CZ 3.49Å
52	W	98.3	Very high	96.9	Very high	88 Å²	88	56.1 Å²	56.1	33%	0.333	32%	0.318	S	S	.	.			trans	-66.9	138.2	174.9	-67.3	91.3	0	0	0	111.6	Q69 I70 Y71 D76	W52-Q69 HydrophobicContact CD2-CG 4.37Å; W52-Q69 HydrophobicContact CE3-CB 4.07Å; W52-Q69 HydrophobicContact CE3-CG 3.53Å; W52-Q69 HydrophobicContact CZ3-CG 3.88Å; W52-I70 WeakPolarHBondContact CA-O 3.34Å; W52-Y71 AromaticContact CD1-CD2 3.9Å; W52-Y71 AromaticContact CD2-CD2 3.95Å; W52-Y71 HydrophobicContact CD2-CD2 3.95Å; W52-Y71 HydrophobicContact CD2-CG 4.27Å; W52-Y71 AromaticContact CE2-CD2 3.82Å; W52-Y71 HydrophobicContact CG-CD2 4.01Å; W52-Y71 HydrophobicContact CZ2-CD2 4.39Å; W52-Y71 HydrophobicContact CZ2-CG 4.18Å; W52-Y71 VanDerWaalsContact CZ3-N 3.26Å; W52-Y71 AromaticContact NE1-CD2 3.75Å; W52-D76 HydrophobicContact CH2-CB 4.03Å; W52-D76 WeakPolarHBondContact CZ3-O 3.37Å
53	M	98.5	Very high	96.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.8	167.8	-176.1	64.8	65.9	0	0	109	L23 A43 Y46 F48 Q69 I70 A98 C115 A116	L23-M53 HydrophobicContact CD1-SD 4.31Å; L23-M53 HydrophobicContact CD2-CE 3.72Å; L23-M53 HydrophobicContact CD2-SD 4.48Å; A43-M53 HydrophobicContact CB-CE 4.45Å; Y46-M53 VanDerWaalsContact OH-CE 3.29Å; Y46-M53 WeakPolarHBondContact OH-CE 3.45Å; F48-M53 HydrophobicContact CD2-CE 4.45Å; F48-M53 HydrophobicContact CE2-CE 3.96Å; M53-Q69 CarbonylContact O-C 3.53Å; M53-Q69 WeakPolarHBondContact O-CA 3.41Å; M53-Q69 WeakPolarHBondContact O-CB 3.25Å; M53-I70 HydrophobicContact CB-CG2 3.97Å; M53-I70 PolarHBondContact N-O 2.84Å; M53-I70 PolarHBondContact O-N 3.1Å; M53-A98 HydrophobicContact CB-CB 4.21Å; M53-A98 HydrophobicContact CG-CB 3.72Å; M53-C115 HydrophobicContact CG-CB 4.46Å; M53-C115 HydrophobicContact SD-CB 3.78Å; M53-A116 VanDerWaalsContact SD-O 3.4Å
54	N	98.6	Very high	96.5	Very high	36 Å²	36	58.6 Å²	58.6	19%	0.193	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147	178.2	-72.9	-88.4	0	0	0	111	W66 Q69 C115 A116	N54-W66 PolarHBondContact OD1-NE1 2.84Å; N54-Q69 PolarHBondContact OD1-OE1 2.9Å; N54-C115 CarbonylContact O-C 3.6Å; N54-C115 VanDerWaalsContact O-CA 3.27Å; N54-C115 WeakPolarHBondContact O-CA 3.45Å; N54-A116 HydrophobicContact CB-CB 4.33Å; N54-A116 PolarHBondContact N-O 3.44Å; N54-A116 PolarHBondContact O-N 2.84Å
55	W	98.7	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131	172.3	-69.1	89.8	0	0	0	110.5	I39 C41 I67 G68 L89 A98 M100 F114 C115	I39-W55 HydrophobicContact CB-CH2 4.27Å; I39-W55 HydrophobicContact CB-CZ3 4.14Å; I39-W55 HydrophobicContact CG2-CH2 3.93Å; I39-W55 HydrophobicContact CG2-CZ3 3.69Å; C41-W55 HydrophobicContact CB-CH2 3.81Å; C41-W55 HydrophobicContact CB-CZ2 4.04Å; W55-I67 HydrophobicContact CB-CB 4.14Å; W55-I67 HydrophobicContact CB-CD1 4.3Å; W55-I67 WeakPolarHBondContact O-CB 3.32Å; W55-I67 PolarHBondContact O-N 2.97Å; W55-G68 PolarHBondContact N-O 2.94Å; W55-L89 HydrophobicContact CG-CD2 4.02Å; W55-A98 HydrophobicContact CZ2-CB 4.24Å; W55-M100 HydrophobicContact CB-SD 3.84Å; W55-M100 HydrophobicContact CD2-CB 3.62Å; W55-M100 HydrophobicContact CD2-CE 4.23Å; W55-M100 HydrophobicContact CD2-CG 4.37Å; W55-M100 HydrophobicContact CD2-SD 3.94Å; W55-M100 HydrophobicContact CE3-CB 3.79Å; W55-M100 HydrophobicContact CE3-CE 3.58Å; W55-M100 HydrophobicContact CE3-CG 4.49Å; W55-M100 HydrophobicContact CE3-SD 3.92Å; W55-M100 HydrophobicContact CG-CB 4.22Å; W55-M100 HydrophobicContact CG-SD 3.94Å; W55-M100 HydrophobicContact CH2-CB 3.92Å; W55-M100 HydrophobicContact CZ2-CB 3.78Å; W55-M100 HydrophobicContact CZ3-CB 3.94Å; W55-M100 HydrophobicContact CZ3-CE 4.06Å; W55-F114 WeakPolarHBondContact CA-O 3.42Å; W55-C115 HydrophobicContact CD2-CB 4.41Å; W55-C115 HydrophobicContact CE3-CB 4.21Å; W55-C115 HydrophobicContact CH2-CB 4.22Å; W55-C115 HydrophobicContact CZ2-CB 4.39Å; W55-C115 HydrophobicContact CZ3-CB 4.11Å
56	V	98.4	Very high	96.7	Very high	26 Å²	26	60.2 Å²	60.2	16%	0.158	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.3	-174.6	-174.6	0	0	0	0	109.9	L64 Y113 F114	V56-L64 HydrophobicContact CG1-CB 3.81Å; V56-L64 HydrophobicContact CG1-CD2 3.91Å; V56-L64 HydrophobicContact CG1-CG 4.31Å; V56-Y113 CarbonylContact O-C 3.51Å; V56-Y113 WeakPolarHBondContact O-CA 3.13Å; V56-F114 PolarHBondContact N-O 2.68Å; V56-F114 PolarHBondContact O-N 3.09Å
57	K	97.7	Very high	96.9	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.1	175.4	-174.8	177	-177.6	176.7	0	110.4	R59 E65 I67 F83 E108 D109 A111 Y113	K57-R59 VanDerWaalsContact NZ-CZ 3.33Å; K57-E65 HydrophobicContact CB-CB 4.46Å; K57-E65 PolarHBondContact N-O 3Å; K57-E65 PolarHBondContact O-N 2.99Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.13Å; K57-F83 HydrophobicContact CD-CE1 4.01Å; K57-F83 HydrophobicContact CD-CZ 3.89Å; K57-E108 WeakPolarHBondContact CE-O 3.21Å; K57-E108 PolarHBondContact NZ-O 3.03Å; K57-D109 IonicContact NZ-OD1 3.09Å; K57-D109 PolarHBondContact NZ-OD1 3.01Å; K57-D109 VanDerWaalsContact NZ-OD1 3.09Å; K57-A111 HydrophobicContact CD-CB 4.19Å; K57-A111 HydrophobicContact CG-CB 3.55Å; K57-Y113 HydrophobicContact CB-CD1 4.2Å; K57-Y113 HydrophobicContact CB-CE1 3.98Å; K57-Y113 HydrophobicContact CD-CE1 3.92Å; K57-Y113 WeakPolarHBondContact CE-OH 3.38Å; K57-Y113 HydrophobicContact CG-CD1 4.27Å; K57-Y113 HydrophobicContact CG-CE1 3.72Å
58	Q	97.6	Very high	97	Very high	77 Å²	77	55.7 Å²	55.7	36%	0.36	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.2	169.7	-168.6	-177.8	29.2	0	0	110.3	L64 A111 V112 F114	Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 3.97Å; Q58-A111 WeakPolarHBondContact O-CA 3.15Å; Q58-A111 VanDerWaalsContact O-CB 3.25Å; Q58-A111 WeakPolarHBondContact O-CB 3.37Å; Q58-V112 HydrophobicContact CB-CB 4.49Å; Q58-V112 PolarHBondContact N-O 3.45Å; Q58-V112 PolarHBondContact O-N 2.98Å; Q58-F114 HydrophobicContact CB-CD2 4.45Å; Q58-F114 HydrophobicContact CB-CE2 3.84Å
59	R	95.1	Very high	97.1	Very high	67 Å²	67	57.4 Å²	57.4	25%	0.253	32%	0.319	S	S	.	.			trans	-90.8	150.1	171.8	-61.5	-179.2	-173.7	89	-10.4	110.2	K57 G61 K62 E65 E108 A111	K57-R59 VanDerWaalsContact NZ-CZ 3.33Å; R59-G61 PolarHBondContact O-N 2.84Å; R59-K62 HydrophobicContact CB-CB 4.01Å; R59-K62 HydrophobicContact CB-CG 4.02Å; R59-K62 PolarHBondContact O-N 3.21Å; R59-E65 IonicContact CZ-OE2 3.59Å; R59-E65 IonicContact NH1-OE2 2.74Å; R59-E65 PolarHBondContact NH1-OE2 3.44Å; R59-E65 IonicContact NH2-OE2 3.55Å; R59-E108 PolarHBondContact NE-O 3.09Å; R59-A111 HydrophobicContact CG-CB 4.13Å
60	P	94	Very high	97.1	Very high	115 Å²	115	55 Å²	55	75%	0.747	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	127.8	172.6	-25.5	34.6	0	0	0	111.6	K62	P60-K62 PolarHBondContact O-N 3.21Å
61	G	94.8	Very high	97.2	Very high	87 Å²	87	55.1 Å²	55.1	90%	0.897	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	11.8	179.8	0	0	0	0	0	115.7	R59	R59-G61 PolarHBondContact O-N 2.84Å
62	K	93.8	Very high	97.3	Very high	147 Å²	147	49.7 Å²	49.7	64%	0.639	27%	0.273	S	S	*	.	S	Bend	trans	-121.5	160.2	175.7	-57	-65.7	-177.9	-177.9	0	110.9	R59 P60	R59-K62 HydrophobicContact CB-CB 4.01Å; R59-K62 HydrophobicContact CB-CG 4.02Å; R59-K62 PolarHBondContact O-N 3.21Å; P60-K62 PolarHBondContact O-N 3.21Å
63	G	92.9	Very high	97.3	Very high	59 Å²	59	46.6 Å²	46.6	61%	0.608	27%	0.269	S	S	*	.			trans	-67.2	173.6	173.3	0	0	0	0	0	113.1
64	L	96.8	Very high	97.2	Very high	120 Å²	120	52 Å²	52	63%	0.628	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.2	171.5	-65	174.7	0	0	0	110.3	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.81Å; V56-L64 HydrophobicContact CG1-CD2 3.91Å; V56-L64 HydrophobicContact CG1-CG 4.31Å; Q58-L64 HydrophobicContact CB-CD2 3.81Å; Q58-L64 HydrophobicContact CG-CD2 3.97Å
65	E	97.6	Very high	97.2	Very high	28 Å²	28	52.1 Å²	52.1	13%	0.131	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.6	176.4	-170.8	171.7	-145.1	0	0	109.1	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.46Å; K57-E65 PolarHBondContact N-O 3Å; K57-E65 PolarHBondContact O-N 2.99Å; R59-E65 IonicContact CZ-OE2 3.59Å; R59-E65 IonicContact NH1-OE2 2.74Å; R59-E65 PolarHBondContact NH1-OE2 3.44Å; R59-E65 IonicContact NH2-OE2 3.55Å; E65-I67 PolarHBondContact O-N 3.27Å; E65-K82 WeakPolarHBondContact OE1-CD 3.46Å; E65-K82 IonicContact OE1-NZ 2.77Å; E65-K82 PolarHBondContact OE1-NZ 2.86Å; E65-F83 HydrophobicContact CG-CE2 3.82Å; E65-F83 HydrophobicContact CG-CZ 4.21Å
66	W	98.1	Very high	97.2	Very high	84 Å²	84	56.4 Å²	56.4	32%	0.318	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.2	177.3	-177	81.6	0	0	0	110.3	N54 Q69 N78 N80	N54-W66 PolarHBondContact OD1-NE1 2.84Å; W66-Q69 HydrophobicContact CZ2-CB 4Å; W66-Q69 HydrophobicContact CZ2-CG 3.8Å; W66-N78 HydrophobicContact CH2-CB 4.33Å; W66-N80 HydrophobicContact CE3-CB 3.79Å; W66-N80 HydrophobicContact CZ3-CB 4.05Å; W66-N80 WeakPolarHBondContact O-CB 3.49Å; W66-N80 PolarHBondContact O-ND2 2.88Å
67	I	98.5	Very high	97.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-49.3	-177.7	-60.2	174.8	0	0	0	109.9	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.14Å; W55-I67 HydrophobicContact CB-CD1 4.3Å; W55-I67 WeakPolarHBondContact O-CB 3.32Å; W55-I67 PolarHBondContact O-N 2.97Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.13Å; E65-I67 PolarHBondContact O-N 3.27Å; I67-N80 WeakPolarHBondContact O-CB 3.28Å; I67-N80 PolarHBondContact O-N 2.8Å; I67-F83 HydrophobicContact CB-CD1 4.5Å; I67-F83 HydrophobicContact CB-CD2 4.36Å; I67-F83 HydrophobicContact CB-CG 4.27Å; I67-F83 HydrophobicContact CG1-CD1 4.2Å; I67-F83 HydrophobicContact CG1-CD2 4.35Å; I67-F83 HydrophobicContact CG1-CE1 4.04Å; I67-F83 HydrophobicContact CG1-CE2 4.21Å; I67-F83 HydrophobicContact CG1-CG 4.35Å; I67-F83 HydrophobicContact CG1-CZ 4.04Å; I67-F83 HydrophobicContact CG2-CB 3.8Å; I67-F83 HydrophobicContact CG2-CD1 3.93Å; I67-F83 HydrophobicContact CG2-CD2 4.31Å; I67-F83 HydrophobicContact CG2-CG 3.76Å; I67-A87 HydrophobicContact CG2-CB 3.77Å; I67-M100 HydrophobicContact CD1-CE 3.9Å; I67-M100 HydrophobicContact CD1-SD 3.56Å; I67-M100 VanDerWaalsContact CD1-SD 3.56Å; I67-M100 HydrophobicContact CG2-SD 3.98Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.84Å
68	G	98.5	Very high	97.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	178.6	-171.4	0	0	0	0	0	111.6	W55 N78	W55-G68 PolarHBondContact N-O 2.94Å; G68-N78 CarbonylContact C-O 3.42Å; G68-N78 WeakPolarHBondContact CA-O 3.42Å
69	Q	98.6	Very high	97.3	Very high	43 Å²	43	60.4 Å²	60.4	20%	0.201	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155	174.9	65.6	-172.3	-19	0	0	110.9	W52 M53 N54 W66 T77 N78	W52-Q69 HydrophobicContact CD2-CG 4.37Å; W52-Q69 HydrophobicContact CE3-CB 4.07Å; W52-Q69 HydrophobicContact CE3-CG 3.53Å; W52-Q69 HydrophobicContact CZ3-CG 3.88Å; M53-Q69 CarbonylContact O-C 3.53Å; M53-Q69 WeakPolarHBondContact O-CA 3.41Å; M53-Q69 WeakPolarHBondContact O-CB 3.25Å; N54-Q69 PolarHBondContact OD1-OE1 2.9Å; W66-Q69 HydrophobicContact CZ2-CB 4Å; W66-Q69 HydrophobicContact CZ2-CG 3.8Å; Q69-T77 WeakPolarHBondContact O-CA 3.35Å; Q69-N78 HydrophobicContact CG-CB 4.21Å; Q69-N78 PolarHBondContact N-O 2.82Å; Q69-N78 PolarHBondContact O-N 3.49Å
70	I	98.8	Very high	97.4	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.7	173.5	-177.2	167.7	0	0	0	109.7	W52 M53 P72 D76 T77 L89 T90 A91	W52-I70 WeakPolarHBondContact CA-O 3.34Å; M53-I70 HydrophobicContact CB-CG2 3.97Å; M53-I70 PolarHBondContact N-O 2.84Å; M53-I70 PolarHBondContact O-N 3.1Å; I70-P72 WeakPolarHBondContact O-CD 3.48Å; I70-D76 CarbonylContact C-O 3.55Å; I70-D76 VanDerWaalsContact CA-O 3.31Å; I70-D76 WeakPolarHBondContact CA-O 3.5Å; I70-T77 HydrophobicContact CB-CG2 4.01Å; I70-T77 HydrophobicContact CD1-CG2 4.06Å; I70-T77 HydrophobicContact CG1-CG2 3.85Å; I70-L89 HydrophobicContact CB-CB 4.09Å; I70-L89 HydrophobicContact CB-CD1 4.48Å; I70-L89 HydrophobicContact CD1-CB 4.42Å; I70-L89 HydrophobicContact CG2-CB 4.42Å; I70-T90 VanDerWaalsContact CD1-C 3.4Å; I70-T90 VanDerWaalsContact CD1-CA 3.47Å; I70-A91 HydrophobicContact CD1-CB 3.91Å
71	Y	98.6	Very high	97.5	Very high	61 Å²	61	56.8 Å²	56.8	24%	0.239	35%	0.346	C	S	.	.			trans	-93.4	107.2	167	-169.2	-117	0	0	0	108.5	W52 G73 D74 G75 D76	W52-Y71 AromaticContact CD1-CD2 3.9Å; W52-Y71 AromaticContact CD2-CD2 3.95Å; W52-Y71 HydrophobicContact CD2-CD2 3.95Å; W52-Y71 HydrophobicContact CD2-CG 4.27Å; W52-Y71 AromaticContact CE2-CD2 3.82Å; W52-Y71 HydrophobicContact CG-CD2 4.01Å; W52-Y71 HydrophobicContact CZ2-CD2 4.39Å; W52-Y71 HydrophobicContact CZ2-CG 4.18Å; W52-Y71 VanDerWaalsContact CZ3-N 3.26Å; W52-Y71 AromaticContact NE1-CD2 3.75Å; Y71-G73 PolarHBondContact O-N 3.06Å; Y71-G73 VanDerWaalsContact O-N 3.08Å; Y71-D74 WeakPolarHBondContact CD1-OD1 3.29Å; Y71-D74 PolarHBondContact O-N 3.27Å; Y71-G75 VanDerWaalsContact O-CA 3.29Å; Y71-G75 WeakPolarHBondContact O-CA 3.31Å; Y71-G75 PolarHBondContact O-N 3.36Å; Y71-D76 PolarHBondContact N-O 2.9Å
72	P	98.5	Very high	97.5	Very high	1 Å²	1	60 Å²	60	1%	0.006	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.1	-176.1	-20.8	34.5	0	0	0	113.3	F48 Y51 I70 A91 K93	F48-P72 HydrophobicContact CD1-CB 3.88Å; F48-P72 HydrophobicContact CD1-CG 4.28Å; F48-P72 HydrophobicContact CD2-CG 4.22Å; F48-P72 HydrophobicContact CE1-CB 3.46Å; F48-P72 VanDerWaalsContact CE1-CB 3.46Å; F48-P72 HydrophobicContact CE1-CG 3.81Å; F48-P72 HydrophobicContact CE2-CB 4.32Å; F48-P72 HydrophobicContact CE2-CG 3.73Å; F48-P72 HydrophobicContact CG-CG 4.49Å; F48-P72 HydrophobicContact CZ-CB 3.7Å; F48-P72 HydrophobicContact CZ-CG 3.51Å; Y51-P72 WeakPolarHBondContact O-CD 3.4Å; I70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-A91 HydrophobicContact CB-CB 3.77Å; P72-A91 HydrophobicContact CG-CB 4.19Å; P72-K93 VanDerWaalsContact O-CD 3.28Å; P72-K93 WeakPolarHBondContact O-CD 3.46Å; P72-K93 WeakPolarHBondContact O-CE 3.16Å; P72-K93 WeakPolarHBondContact O-CG 3.34Å
73	G	98.1	Very high	97.7	Very high	24 Å²	24	53.3 Å²	53.3	25%	0.247	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-42.3	-179.8	0	0	0	0	0	113.6	S49 Y71 K93	S49-G73 WeakPolarHBondContact O-CA 3.41Å; S49-G73 PolarHBondContact O-N 3.24Å; Y71-G73 PolarHBondContact O-N 3.06Å; Y71-G73 VanDerWaalsContact O-N 3.08Å; G73-K93 PolarHBondContact O-NZ 2.8Å
74	D	97.8	Very high	97.8	Very high	113 Å²	113	58.4 Å²	58.4	60%	0.604	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-10.8	-179.4	56	20.2	0	0	0	113.4	Y71 D76	Y71-D74 WeakPolarHBondContact CD1-OD1 3.29Å; Y71-D74 PolarHBondContact O-N 3.27Å; D74-D76 VanDerWaalsContact OD1-CB 3.29Å; D74-D76 WeakPolarHBondContact OD1-CB 3.29Å; D74-D76 PolarHBondContact OD1-N 3Å
75	G	98.1	Very high	97.7	Very high	39 Å²	39	56.1 Å²	56.1	40%	0.402	32%	0.317	S	S	.	.			trans	86.5	10.1	-177.6	0	0	0	0	0	113.9	Y71	Y71-G75 VanDerWaalsContact O-CA 3.29Å; Y71-G75 WeakPolarHBondContact O-CA 3.31Å; Y71-G75 PolarHBondContact O-N 3.36Å
76	D	98.4	Very high	97.7	Very high	89 Å²	89	57 Å²	57	48%	0.476	32%	0.32	S	S	.	.			trans	-61	141.8	176.3	-170.9	27.1	0	0	0	111	W52 I70 Y71 D74	W52-D76 HydrophobicContact CH2-CB 4.03Å; W52-D76 WeakPolarHBondContact CZ3-O 3.37Å; I70-D76 CarbonylContact C-O 3.55Å; I70-D76 VanDerWaalsContact CA-O 3.31Å; I70-D76 WeakPolarHBondContact CA-O 3.5Å; Y71-D76 PolarHBondContact N-O 2.9Å; D74-D76 VanDerWaalsContact OD1-CB 3.29Å; D74-D76 WeakPolarHBondContact OD1-CB 3.29Å; D74-D76 PolarHBondContact OD1-N 3Å
77	T	98.6	Very high	97.7	Very high	51 Å²	51	53.2 Å²	53.2	31%	0.313	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.7	-174.8	53.9	0	0	0	0	111.7	Q69 I70 L89	Q69-T77 WeakPolarHBondContact O-CA 3.35Å; I70-T77 HydrophobicContact CB-CG2 4.01Å; I70-T77 HydrophobicContact CD1-CG2 4.06Å; I70-T77 HydrophobicContact CG1-CG2 3.85Å; T77-L89 HydrophobicContact CG2-CB 4.07Å
78	N	98.1	Very high	97.7	Very high	86 Å²	86	56.6 Å²	56.6	46%	0.46	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.7	169.8	-166.7	1.2	0	0	0	109.6	W66 G68 Q69	W66-N78 HydrophobicContact CH2-CB 4.33Å; G68-N78 CarbonylContact C-O 3.42Å; G68-N78 WeakPolarHBondContact CA-O 3.42Å; Q69-N78 HydrophobicContact CG-CB 4.21Å; Q69-N78 PolarHBondContact N-O 2.82Å; Q69-N78 PolarHBondContact O-N 3.49Å
79	Y	98.5	Very high	97.7	Very high	52 Å²	52	57 Å²	57	20%	0.204	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.6	-172.3	-68.4	-89.2	0	0	0	111.3	A87 L89	Y79-A87 HydrophobicContact CD1-CB 4.46Å; Y79-A87 HydrophobicContact CE1-CB 4.11Å; Y79-A87 WeakPolarHBondContact CE1-O 3.27Å; Y79-A87 PolarHBondContact OH-O 2.84Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.78Å; Y79-L89 PolarHBondContact OH-N 2.9Å
80	N	97.5	Very high	97.7	Very high	45 Å²	45	58 Å²	58	24%	0.241	34%	0.338	C	S	.	.			trans	-66.8	134.5	157.2	-177.5	-29.5	0	0	0	108.7	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.79Å; W66-N80 HydrophobicContact CZ3-CB 4.05Å; W66-N80 WeakPolarHBondContact O-CB 3.49Å; W66-N80 PolarHBondContact O-ND2 2.88Å; I67-N80 WeakPolarHBondContact O-CB 3.28Å; I67-N80 PolarHBondContact O-N 2.8Å; N80-K82 PolarHBondContact O-N 2.94Å; N80-K82 PolarHBondContact OD1-N 2.87Å; N80-K82 VanDerWaalsContact OD1-N 3.08Å; N80-F83 HydrophobicContact CB-CD2 4.05Å; N80-F83 PolarHBondContact O-N 2.84Å; N80-K84 PolarHBondContact O-N 2.84Å
81	G	97.2	Very high	97.7	Very high	61 Å²	61	59.3 Å²	59.3	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.6	-179.4	0	0	0	0	0	114.1	F83 K84	G81-F83 VanDerWaalsContact C-N 3.27Å; G81-F83 PolarHBondContact O-N 2.95Å; G81-K84 PolarHBondContact O-N 2.84Å
82	K	95.4	Very high	97.7	Very high	153 Å²	153	59.1 Å²	59.1	67%	0.665	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.4	177.1	-71.1	175.6	171.3	175	0	114.6	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.46Å; E65-K82 IonicContact OE1-NZ 2.77Å; E65-K82 PolarHBondContact OE1-NZ 2.86Å; N80-K82 PolarHBondContact O-N 2.94Å; N80-K82 PolarHBondContact OD1-N 2.87Å; N80-K82 VanDerWaalsContact OD1-N 3.08Å
83	F	97.1	Very high	97.7	Very high	7 Å²	7	64.6 Å²	64.6	3%	0.031	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-5.6	-177	-64.6	-89.6	0	0	0	112.7	K57 E65 I67 N80 G81 G85 K86 A87	K57-F83 HydrophobicContact CD-CE1 4.01Å; K57-F83 HydrophobicContact CD-CZ 3.89Å; E65-F83 HydrophobicContact CG-CE2 3.82Å; E65-F83 HydrophobicContact CG-CZ 4.21Å; I67-F83 HydrophobicContact CB-CD1 4.5Å; I67-F83 HydrophobicContact CB-CD2 4.36Å; I67-F83 HydrophobicContact CB-CG 4.27Å; I67-F83 HydrophobicContact CG1-CD1 4.2Å; I67-F83 HydrophobicContact CG1-CD2 4.35Å; I67-F83 HydrophobicContact CG1-CE1 4.04Å; I67-F83 HydrophobicContact CG1-CE2 4.21Å; I67-F83 HydrophobicContact CG1-CG 4.35Å; I67-F83 HydrophobicContact CG1-CZ 4.04Å; I67-F83 HydrophobicContact CG2-CB 3.8Å; I67-F83 HydrophobicContact CG2-CD1 3.93Å; I67-F83 HydrophobicContact CG2-CD2 4.31Å; I67-F83 HydrophobicContact CG2-CG 3.76Å; N80-F83 HydrophobicContact CB-CD2 4.05Å; N80-F83 PolarHBondContact O-N 2.84Å; G81-F83 VanDerWaalsContact C-N 3.27Å; G81-F83 PolarHBondContact O-N 2.95Å; F83-G85 PolarHBondContact O-N 2.88Å; F83-K86 PolarHBondContact O-N 2.79Å; F83-A87 HydrophobicContact CB-CB 4.16Å; F83-A87 PolarHBondContact O-N 2.86Å
84	K	95.5	Very high	97.6	Very high	166 Å²	166	68.7 Å²	68.7	72%	0.722	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-59.8	123	175.2	-166	173.6	-175.6	175.2	0	109.4	N80 G81 K86	N80-K84 PolarHBondContact O-N 2.84Å; G81-K84 PolarHBondContact O-N 2.84Å; K84-K86 VanDerWaalsContact C-N 3.27Å; K84-K86 PolarHBondContact O-N 3.49Å
85	G	95.2	Very high	97.6	Very high	72 Å²	72	65 Å²	65	74%	0.742	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-15.8	-175.9	0	0	0	0	0	115.2	F83	F83-G85 PolarHBondContact O-N 2.88Å
86	K	97.1	Very high	97.6	Very high	48 Å²	48	65 Å²	65	21%	0.209	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-37.6	173.6	-171	167.3	-169.4	167.8	0	112.6	F83 K84 L102 S103 D109	F83-K86 PolarHBondContact O-N 2.79Å; K84-K86 VanDerWaalsContact C-N 3.27Å; K84-K86 PolarHBondContact O-N 3.49Å; K86-L102 WeakPolarHBondContact O-CA 3.23Å; K86-S103 PolarHBondContact O-N 3.46Å; K86-S103 PolarHBondContact O-OG 2.82Å; K86-D109 WeakPolarHBondContact CE-OD1 3.44Å; K86-D109 VanDerWaalsContact CE-OD2 3.27Å; K86-D109 WeakPolarHBondContact CE-OD2 3.4Å; K86-D109 IonicContact NZ-OD1 2.98Å; K86-D109 PolarHBondContact NZ-OD1 3.04Å; K86-D109 IonicContact NZ-OD2 2.6Å; K86-D109 PolarHBondContact NZ-OD2 3.25Å
87	A	98.3	Very high	97.7	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.4	177	0	0	0	0	0	111	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.77Å; Y79-A87 HydrophobicContact CD1-CB 4.46Å; Y79-A87 HydrophobicContact CE1-CB 4.11Å; Y79-A87 WeakPolarHBondContact CE1-O 3.27Å; Y79-A87 PolarHBondContact OH-O 2.84Å; F83-A87 HydrophobicContact CB-CB 4.16Å; F83-A87 PolarHBondContact O-N 2.86Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.37Å; A87-L102 HydrophobicContact CB-CD2 3.73Å
88	T	98.5	Very high	97.7	Very high	71 Å²	71	58.7 Å²	58.7	44%	0.436	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.2	169	-58.2	0	0	0	0	108.4	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.35Å; T88-M100 WeakPolarHBondContact O-CA 2.98Å; T88-Q101 PolarHBondContact N-O 3.08Å; T88-Q101 PolarHBondContact O-N 3.21Å
89	L	98.7	Very high	97.7	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.3	-179.5	-55.2	-176.4	0	0	0	108.8	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.02Å; I70-L89 HydrophobicContact CB-CB 4.09Å; I70-L89 HydrophobicContact CB-CD1 4.48Å; I70-L89 HydrophobicContact CD1-CB 4.42Å; I70-L89 HydrophobicContact CG2-CB 4.42Å; T77-L89 HydrophobicContact CG2-CB 4.07Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.78Å; Y79-L89 PolarHBondContact OH-N 2.9Å; L89-Y99 WeakPolarHBondContact CA-O 3.45Å; L89-M100 HydrophobicContact CD2-CB 3.73Å; L89-M100 HydrophobicContact CD2-CG 3.65Å; L89-M100 HydrophobicContact CD2-SD 4.2Å
90	T	98.6	Very high	97.7	Very high	63 Å²	63	54.8 Å²	54.8	39%	0.387	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	164.6	173.4	66	0	0	0	0	110.6	I70 T88 A98 Y99	I70-T90 VanDerWaalsContact CD1-C 3.4Å; I70-T90 VanDerWaalsContact CD1-CA 3.47Å; T88-T90 HydrophobicContact CG2-CG2 4.35Å; T90-A98 CarbonylContact O-C 3.58Å; T90-A98 WeakPolarHBondContact O-CA 3.48Å; T90-Y99 PolarHBondContact N-O 3.19Å; T90-Y99 PolarHBondContact O-N 2.61Å
91	A	98.6	Very high	97.8	Very high	32 Å²	32	56.8 Å²	56.8	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.5	176.1	0	0	0	0	0	110.8	F48 I70 P72 T97	F48-A91 HydrophobicContact CE1-CB 4.13Å; F48-A91 HydrophobicContact CZ-CB 4Å; I70-A91 HydrophobicContact CD1-CB 3.91Å; P72-A91 HydrophobicContact CB-CB 3.77Å; P72-A91 HydrophobicContact CG-CB 4.19Å; A91-T97 WeakPolarHBondContact CA-O 3.36Å
92	D	98.3	Very high	97.8	Very high	57 Å²	57	53.9 Å²	53.9	31%	0.305	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.4	168.4	173	12.7	0	0	0	108.7	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.12Å; D92-S94 WeakPolarHBondContact OD1-CB 3.05Å; D92-S94 PolarHBondContact OD1-N 2.67Å; D92-S94 PolarHBondContact OD1-OG 2.78Å; D92-S94 PolarHBondContact OD2-OG 2.02Å; D92-S95 WeakPolarHBondContact CB-OG 3.41Å; D92-S95 VanDerWaalsContact OD2-CB 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 3.21Å; D92-S96 PolarHBondContact O-N 2.92Å; D92-S96 VanDerWaalsContact O-N 3.11Å; D92-T97 PolarHBondContact N-O 3.43Å; D92-T97 PolarHBondContact O-N 3.01Å; D92-Y99 HydrophobicContact CB-CE2 4.11Å
93	K	97.5	Very high	97.9	Very high	115 Å²	115	48 Å²	48	50%	0.5	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.7	-178.4	-52.6	-176.3	-149.2	-174.7	0	111.6	P72 G73 S96	P72-K93 VanDerWaalsContact O-CD 3.28Å; P72-K93 WeakPolarHBondContact O-CD 3.46Å; P72-K93 WeakPolarHBondContact O-CE 3.16Å; P72-K93 WeakPolarHBondContact O-CG 3.34Å; G73-K93 PolarHBondContact O-NZ 2.8Å; K93-S96 PolarHBondContact O-N 2.78Å
94	S	97.2	Very high	97.9	Very high	110 Å²	110	51.5 Å²	51.5	77%	0.769	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-40	-175.2	72.7	0	0	0	0	111.8	D92	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.12Å; D92-S94 WeakPolarHBondContact OD1-CB 3.05Å; D92-S94 PolarHBondContact OD1-N 2.67Å; D92-S94 PolarHBondContact OD1-OG 2.78Å; D92-S94 PolarHBondContact OD2-OG 2.02Å
95	S	97.9	Very high	98	Very high	37 Å²	37	44.1 Å²	44.1	26%	0.259	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.2	177.2	66.1	0	0	0	0	113.8	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.41Å; D92-S95 VanDerWaalsContact OD2-CB 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.28Å; D92-S95 PolarHBondContact OD2-OG 3.21Å; S95-T97 PolarHBondContact O-N 2.93Å; S95-T97 PolarHBondContact O-OG1 2.81Å; S95-T97 VanDerWaalsContact O-OG1 3.09Å; S95-T97 WeakPolarHBondContact OG-CB 3Å; S95-T97 PolarHBondContact OG-OG1 2.88Å
96	S	98.3	Very high	98.1	Very high	37 Å²	37	43.6 Å²	43.6	26%	0.259	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.3	-171.8	-62.7	0	0	0	0	112.6	A43 F48 D92 K93	A43-S96 PolarHBondContact N-O 2.84Å; A43-S96 WeakPolarHBondContact O-CB 3.47Å; F48-S96 VanDerWaalsContact CD1-CA 3.48Å; D92-S96 PolarHBondContact O-N 2.92Å; D92-S96 VanDerWaalsContact O-N 3.11Å; K93-S96 PolarHBondContact O-N 2.78Å
97	T	98.7	Very high	98	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.4	-174.3	-54.7	0	0	0	0	110.8	C41 A91 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.39Å; A91-T97 WeakPolarHBondContact CA-O 3.36Å; D92-T97 PolarHBondContact N-O 3.43Å; D92-T97 PolarHBondContact O-N 3.01Å; S95-T97 PolarHBondContact O-N 2.93Å; S95-T97 PolarHBondContact O-OG1 2.81Å; S95-T97 VanDerWaalsContact O-OG1 3.09Å; S95-T97 WeakPolarHBondContact OG-CB 3Å; S95-T97 PolarHBondContact OG-OG1 2.88Å; T97-Y99 HydrophobicContact CG2-CD1 4.33Å; T97-Y99 HydrophobicContact CG2-CD2 4.38Å; T97-Y99 HydrophobicContact CG2-CE1 3.73Å; T97-Y99 HydrophobicContact CG2-CE2 3.77Å
98	A	98.8	Very high	97.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	150.2	166.9	0	0	0	0	0	110	S40 C41 F48 M53 W55 T90	S40-A98 CarbonylContact C-O 3.55Å; S40-A98 WeakPolarHBondContact CA-O 3.25Å; C41-A98 PolarHBondContact N-O 3.34Å; C41-A98 PolarHBondContact O-N 3.03Å; F48-A98 HydrophobicContact CE2-CB 4.27Å; F48-A98 HydrophobicContact CZ-CB 4.07Å; M53-A98 HydrophobicContact CB-CB 4.21Å; M53-A98 HydrophobicContact CG-CB 3.72Å; W55-A98 HydrophobicContact CZ2-CB 4.24Å; T90-A98 CarbonylContact O-C 3.58Å; T90-A98 WeakPolarHBondContact O-CA 3.48Å
99	Y	98.7	Very high	97.6	Very high	56 Å²	56	50 Å²	50	22%	0.22	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.4	177	-56.8	-88.9	0	0	0	110.7	K38 I39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.37Å; K38-Y99 VanDerWaalsContact CE-CD1 3.48Å; K38-Y99 HydrophobicContact CG-CD1 4.33Å; I39-Y99 CarbonylContact O-C 3.58Å; I39-Y99 VanDerWaalsContact O-CA 3.25Å; I39-Y99 WeakPolarHBondContact O-CA 3.38Å; L89-Y99 WeakPolarHBondContact CA-O 3.45Å; T90-Y99 PolarHBondContact N-O 3.19Å; T90-Y99 PolarHBondContact O-N 2.61Å; D92-Y99 HydrophobicContact CB-CE2 4.11Å; T97-Y99 HydrophobicContact CG2-CD1 4.33Å; T97-Y99 HydrophobicContact CG2-CD2 4.38Å; T97-Y99 HydrophobicContact CG2-CE1 3.73Å; T97-Y99 HydrophobicContact CG2-CE2 3.77Å
100	M	98.6	Very high	97.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119	166.1	176.4	175.4	69.7	0	0	108.6	K38 I39 W55 I67 T88 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.36Å; I39-M100 HydrophobicContact CD1-CE 3.77Å; I39-M100 PolarHBondContact N-O 3.09Å; I39-M100 PolarHBondContact O-N 3.11Å; W55-M100 HydrophobicContact CB-SD 3.84Å; W55-M100 HydrophobicContact CD2-CB 3.62Å; W55-M100 HydrophobicContact CD2-CE 4.23Å; W55-M100 HydrophobicContact CD2-CG 4.37Å; W55-M100 HydrophobicContact CD2-SD 3.94Å; W55-M100 HydrophobicContact CE3-CB 3.79Å; W55-M100 HydrophobicContact CE3-CE 3.58Å; W55-M100 HydrophobicContact CE3-CG 4.49Å; W55-M100 HydrophobicContact CE3-SD 3.92Å; W55-M100 HydrophobicContact CG-CB 4.22Å; W55-M100 HydrophobicContact CG-SD 3.94Å; W55-M100 HydrophobicContact CH2-CB 3.92Å; W55-M100 HydrophobicContact CZ2-CB 3.78Å; W55-M100 HydrophobicContact CZ3-CB 3.94Å; W55-M100 HydrophobicContact CZ3-CE 4.06Å; I67-M100 HydrophobicContact CD1-CE 3.9Å; I67-M100 HydrophobicContact CD1-SD 3.56Å; I67-M100 VanDerWaalsContact CD1-SD 3.56Å; I67-M100 HydrophobicContact CG2-SD 3.98Å; T88-M100 WeakPolarHBondContact O-CA 2.98Å; L89-M100 HydrophobicContact CD2-CB 3.73Å; L89-M100 HydrophobicContact CD2-CG 3.65Å; L89-M100 HydrophobicContact CD2-SD 4.2Å; M100-L102 HydrophobicContact CE-CD1 4.03Å; M100-L102 HydrophobicContact CE-CG 4.24Å; M100-L102 HydrophobicContact CG-CD2 4.29Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.15Å; M100-L102 HydrophobicContact SD-CG 4.39Å; M100-Y113 HydrophobicContact CE-CD1 3.5Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4Å
101	Q	98.6	Very high	97.4	Very high	86 Å²	86	52.2 Å²	52.2	40%	0.402	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.8	169.1	-178.1	173.1	-35.5	0	0	109.1	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.58Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.29Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.37Å; T88-Q101 PolarHBondContact N-O 3.08Å; T88-Q101 PolarHBondContact O-N 3.21Å
102	L	98.2	Very high	97.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.6	171	-62.7	169.3	0	0	0	108.8	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.55Å; S36-L102 WeakPolarHBondContact CA-O 3.01Å; S36-L102 VanDerWaalsContact CB-O 3.32Å; S36-L102 WeakPolarHBondContact CB-O 3.41Å; V37-L102 HydrophobicContact CG1-CB 4.15Å; V37-L102 HydrophobicContact CG1-CD1 4.44Å; V37-L102 PolarHBondContact N-O 2.65Å; V37-L102 PolarHBondContact O-N 3.25Å; K86-L102 WeakPolarHBondContact O-CA 3.23Å; A87-L102 HydrophobicContact CB-CD2 3.73Å; M100-L102 HydrophobicContact CE-CD1 4.03Å; M100-L102 HydrophobicContact CE-CG 4.24Å; M100-L102 HydrophobicContact CG-CD2 4.29Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.15Å; M100-L102 HydrophobicContact SD-CG 4.39Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CB-CG 4.46Å; L102-L105 HydrophobicContact CD1-CD2 4.25Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 4.2Å
103	S	97.7	Very high	97.4	Very high	30 Å²	30	52.9 Å²	52.9	21%	0.21	31%	0.312	C	S	.	.			trans	-107.4	160.8	178.9	58.8	0	0	0	0	112.4	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3Å; K86-S103 PolarHBondContact O-N 3.46Å; K86-S103 PolarHBondContact O-OG 2.82Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 2.97Å
104	S	97.1	Very high	97.4	Very high	80 Å²	80	51.1 Å²	51.1	56%	0.559	31%	0.305	S	S	*	.	S	Bend	trans	50.3	50.5	172.3	-57.9	0	0	0	0	112.8	A35	A35-S104 PolarHBondContact O-N 2.99Å
105	L	97.5	Very high	97.4	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	27%	0.272	C	S	.	.			trans	-65.7	146.5	-172.8	-69.2	169.8	0	0	0	112.4	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.48Å; V31-L105 HydrophobicContact CG2-CD1 3.53Å; P33-L105 CarbonylContact C-O 3.53Å; P33-L105 WeakPolarHBondContact CA-O 3.4Å; G34-L105 PolarHBondContact N-O 2.99Å; A35-L105 WeakPolarHBondContact O-CG 3.46Å; A35-L105 PolarHBondContact O-N 3.15Å; V37-L105 HydrophobicContact CB-CD1 4Å; V37-L105 HydrophobicContact CG1-CD1 3.75Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CB-CG 4.46Å; L102-L105 HydrophobicContact CD1-CD2 4.25Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 2.97Å; L105-D109 HydrophobicContact CD2-CB 3.57Å
106	T	96.4	Very high	97.4	Very high	61 Å²	61	46.5 Å²	46.5	37%	0.374	28%	0.275	S	S	.	.			trans	-125.5	172.2	178.2	64.1	0	0	0	0	109.6	E108 D109	T106-E108 PolarHBondContact O-N 2.85Å; T106-E108 PolarHBondContact OG1-N 3.37Å; T106-D109 PolarHBondContact N-OD2 3.16Å; T106-D109 WeakPolarHBondContact O-CB 3.49Å; T106-D109 PolarHBondContact O-N 3.4Å; T106-D109 PolarHBondContact OG1-OD2 2.81Å
107	S	94.8	Very high	97.1	Very high	107 Å²	107	50.1 Å²	50.1	75%	0.748	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-58.3	-28.4	172.8	51.4	0	0	0	0	112.7	D109 S110	S107-D109 PolarHBondContact O-N 3.12Å; S107-S110 WeakPolarHBondContact O-CB 3.39Å; S107-S110 PolarHBondContact O-N 3.02Å
108	E	93.7	Very high	97.1	Very high	136 Å²	136	52.2 Å²	52.2	64%	0.636	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.8	-11	175.9	-57.6	-172.9	173.8	0	0	113.8	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.21Å; K57-E108 PolarHBondContact NZ-O 3.03Å; R59-E108 PolarHBondContact NE-O 3.09Å; T106-E108 PolarHBondContact O-N 2.85Å; T106-E108 PolarHBondContact OG1-N 3.37Å
109	D	95.6	Very high	97	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.07	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-93.9	-3.9	176.7	-54.5	-60	0	0	0	114.1	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 3.09Å; K57-D109 PolarHBondContact NZ-OD1 3.01Å; K57-D109 VanDerWaalsContact NZ-OD1 3.09Å; K86-D109 WeakPolarHBondContact CE-OD1 3.44Å; K86-D109 VanDerWaalsContact CE-OD2 3.27Å; K86-D109 WeakPolarHBondContact CE-OD2 3.4Å; K86-D109 IonicContact NZ-OD1 2.98Å; K86-D109 PolarHBondContact NZ-OD1 3.04Å; K86-D109 IonicContact NZ-OD2 2.6Å; K86-D109 PolarHBondContact NZ-OD2 3.25Å; L105-D109 HydrophobicContact CD2-CB 3.57Å; T106-D109 PolarHBondContact N-OD2 3.16Å; T106-D109 WeakPolarHBondContact O-CB 3.49Å; T106-D109 PolarHBondContact O-N 3.4Å; T106-D109 PolarHBondContact OG1-OD2 2.81Å; S107-D109 PolarHBondContact O-N 3.12Å; D109-A111 PolarHBondContact O-N 2.98Å; D109-A111 VanDerWaalsContact O-N 3.09Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.44Å
110	S	96.4	Very high	96.9	Very high	91 Å²	91	54.8 Å²	54.8	64%	0.636	31%	0.314	S	S	*	.			trans	-64.8	109.1	168.2	-171.2	0	0	0	0	109.7	S107	S107-S110 WeakPolarHBondContact O-CB 3.39Å; S107-S110 PolarHBondContact O-N 3.02Å
111	A	97.2	Very high	96.8	Very high	27 Å²	27	58.1 Å²	58.1	22%	0.223	33%	0.333	C	S	.	.	S	Bend	trans	-163.8	164.5	-171.2	0	0	0	0	0	110.5	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.19Å; K57-A111 HydrophobicContact CG-CB 3.55Å; Q58-A111 WeakPolarHBondContact O-CA 3.15Å; Q58-A111 VanDerWaalsContact O-CB 3.25Å; Q58-A111 WeakPolarHBondContact O-CB 3.37Å; R59-A111 HydrophobicContact CG-CB 4.13Å; D109-A111 PolarHBondContact O-N 2.98Å; D109-A111 VanDerWaalsContact O-N 3.09Å; A111-Y113 HydrophobicContact CB-CD2 4.42Å; A111-Y113 HydrophobicContact CB-CE2 3.85Å
112	V	97.5	Very high	96.7	Very high	77 Å²	77	56.3 Å²	56.3	47%	0.467	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.8	160.2	-173.9	0	0	0	0	107.8	Q58 F114	Q58-V112 HydrophobicContact CB-CB 4.49Å; Q58-V112 PolarHBondContact N-O 3.45Å; Q58-V112 PolarHBondContact O-N 2.98Å; V112-F114 HydrophobicContact CB-CE2 4Å; V112-F114 HydrophobicContact CB-CZ 4.09Å; V112-F114 HydrophobicContact CG1-CD1 4.4Å; V112-F114 HydrophobicContact CG1-CD2 4.25Å; V112-F114 HydrophobicContact CG1-CE1 3.76Å; V112-F114 HydrophobicContact CG1-CE2 3.59Å; V112-F114 HydrophobicContact CG1-CZ 3.32Å
113	Y	98.2	Very high	96.6	Very high	27 Å²	27	60 Å²	60	11%	0.106	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.3	176.6	-67.7	-88.3	0	0	0	108.6	Q25 I39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 2.6Å; Q25-Y113 PolarHBondContact OE1-O 3.42Å; I39-Y113 HydrophobicContact CD1-CD2 4Å; I39-Y113 HydrophobicContact CD1-CG 3.9Å; V56-Y113 CarbonylContact O-C 3.51Å; V56-Y113 WeakPolarHBondContact O-CA 3.13Å; K57-Y113 HydrophobicContact CB-CD1 4.2Å; K57-Y113 HydrophobicContact CB-CE1 3.98Å; K57-Y113 HydrophobicContact CD-CE1 3.92Å; K57-Y113 WeakPolarHBondContact CE-OH 3.38Å; K57-Y113 HydrophobicContact CG-CD1 4.27Å; K57-Y113 HydrophobicContact CG-CE1 3.72Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.84Å; M100-Y113 HydrophobicContact CE-CD1 3.5Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 4.2Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.44Å; A111-Y113 HydrophobicContact CB-CD2 4.42Å; A111-Y113 HydrophobicContact CB-CE2 3.85Å
114	F	98.3	Very high	96.5	Very high	78 Å²	78	62.1 Å²	62.1	34%	0.342	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.1	179.2	-60.5	-79.8	0	0	0	110.1	W55 V56 Q58 V112	W55-F114 WeakPolarHBondContact CA-O 3.42Å; V56-F114 PolarHBondContact N-O 2.68Å; V56-F114 PolarHBondContact O-N 3.09Å; Q58-F114 HydrophobicContact CB-CD2 4.45Å; Q58-F114 HydrophobicContact CB-CE2 3.84Å; V112-F114 HydrophobicContact CB-CE2 4Å; V112-F114 HydrophobicContact CB-CZ 4.09Å; V112-F114 HydrophobicContact CG1-CD1 4.4Å; V112-F114 HydrophobicContact CG1-CD2 4.25Å; V112-F114 HydrophobicContact CG1-CE1 3.76Å; V112-F114 HydrophobicContact CG1-CE2 3.59Å; V112-F114 HydrophobicContact CG1-CZ 3.32Å
115	C	98.4	Very high	96.4	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	143.6	156.8	64.2	0	0	0	0	109.8	Q25 C41 M53 N54 W55	Q25-C115 HydrophobicContact CG-CB 4.5Å; Q25-C115 WeakPolarHBondContact CG-SG 3.28Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.17Å; C41-C115 WeakPolarHBondContact SG-CB 3.48Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.41Å; M53-C115 HydrophobicContact CG-CB 4.46Å; M53-C115 HydrophobicContact SD-CB 3.78Å; N54-C115 CarbonylContact O-C 3.6Å; N54-C115 VanDerWaalsContact O-CA 3.27Å; N54-C115 WeakPolarHBondContact O-CA 3.45Å; W55-C115 HydrophobicContact CD2-CB 4.41Å; W55-C115 HydrophobicContact CE3-CB 4.21Å; W55-C115 HydrophobicContact CH2-CB 4.22Å; W55-C115 HydrophobicContact CZ2-CB 4.39Å; W55-C115 HydrophobicContact CZ3-CB 4.11Å
116	A	97.8	Very high	96.3	Very high	39 Å²	39	64.9 Å²	64.9	32%	0.322	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.6	-178.9	0	0	0	0	0	111.5	M53 N54	M53-A116 VanDerWaalsContact SD-O 3.4Å; N54-A116 HydrophobicContact CB-CB 4.33Å; N54-A116 PolarHBondContact N-O 3.44Å; N54-A116 PolarHBondContact O-N 2.84Å
117	R	91.9	Very high	96.3	Very high	112 Å²	112	65.3 Å²	65.3	42%	0.423	37%	0.368	S	S	.	.			trans	-133.5	0	170.7	170.2	172.6	169.2	-111.4	3.2	109.5	Y46 Y51	Y46-R117 VanDerWaalsContact CD2-NE 3.27Å; Y46-R117 VanDerWaalsContact CE2-CZ 3.41Å; Y46-R117 WeakPolarHBondContact OH-CD 3.48Å; Y51-R117 VanDerWaalsContact CG-CZ 3.49Å

Retrieved 117 of 117 residues in 154 ms (Link to these results)

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