A0A075B5W9_MOUSE Loading...

Immunoglobulin heavy variable 1-58

AlphaFold DB , UniProt , Accession A0A075B5W9, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-58, Length 117 aa.

						>A0A075B5W9_MOUSE|A0A075B5W9|Ighv1-58
MELIWVFLFLLSVTAGVHSEVQLQQSGAELVRPGSSVKMSCKTSGYTFTSYGINWVKQRPGQGLEWIGYIYIGNGYTEYNEKFKGKATLTSDTSSSTAYMQLSSLTSEDSAIYFCAR
					

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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	65	Low	67.4	Low	187 Å²	187	133.4 Å²	133.4	92%	0.921	65%	0.649	S	S	*	*				0	-33.9	0	-154.7	145.5	62.1	0	0	111.9	L3	M1-L3 PolarHBondContact O-N 2.96Å
2	E	74.3	Confident	66.8	Low	146 Å²	146	128.8 Å²	128.8	68%	0.682	64%	0.641	S	S	*	*	H	α-helix	trans	-59.6	-41	176.1	-61.4	-59.2	138.3	0	0	115.3	I4 W5	E2-I4 VanDerWaalsContact C-N 3.31Å; E2-I4 PolarHBondContact O-N 3.03Å; E2-W5 PolarHBondContact O-N 2.95Å
3	L	70.8	Confident	66.3	Low	125 Å²	125	128.4 Å²	128.4	65%	0.654	65%	0.649	S	S	*	*	H	α-helix	trans	-66.6	-30.9	-175.4	-137.8	85.9	0	0	0	113.2	M1 W5 V6 F7	M1-L3 PolarHBondContact O-N 2.96Å; L3-W5 VanDerWaalsContact C-N 3.3Å; L3-W5 PolarHBondContact O-N 3.28Å; L3-V6 PolarHBondContact O-N 3.11Å; L3-F7 HydrophobicContact CD2-CE2 3.73Å; L3-F7 HydrophobicContact CD2-CZ 4.36Å; L3-F7 HydrophobicContact CG-CE2 4.04Å; L3-F7 WeakPolarHBondContact O-CD2 3.43Å; L3-F7 PolarHBondContact O-N 2.77Å
4	I	73.5	Confident	66.2	Low	109 Å²	109	128.1 Å²	128.1	56%	0.559	66%	0.657	S	S	*	*	H	α-helix	trans	-66.3	-35	-178.7	-69.6	167.6	0	0	0	110.8	E2 F7 L8	E2-I4 VanDerWaalsContact C-N 3.31Å; E2-I4 PolarHBondContact O-N 3.03Å; I4-F7 PolarHBondContact O-N 3.15Å; I4-L8 HydrophobicContact CG2-CD1 4.32Å; I4-L8 PolarHBondContact O-N 2.82Å
5	W	70.5	Confident	66	Low	153 Å²	153	125.7 Å²	125.7	58%	0.58	66%	0.664	S	S	*	*	H	α-helix	trans	-71.3	-36.2	178.2	-72.3	-7.2	0	0	0	112.3	E2 L3 F7 L8 F9	E2-W5 PolarHBondContact O-N 2.95Å; L3-W5 VanDerWaalsContact C-N 3.3Å; L3-W5 PolarHBondContact O-N 3.28Å; W5-F7 VanDerWaalsContact C-N 3.32Å; W5-F7 PolarHBondContact O-N 3.32Å; W5-L8 PolarHBondContact O-N 3.19Å; W5-F9 WeakPolarHBondContact O-CD2 3.14Å; W5-F9 PolarHBondContact O-N 3.06Å
6	V	71.8	Confident	66	Low	86 Å²	86	121.6 Å²	121.6	52%	0.521	66%	0.661	S	S	.	*	H	α-helix	trans	-61.6	-40.3	174.5	-177.9	0	0	0	0	111.4	L3 F9 L10	L3-V6 PolarHBondContact O-N 3.11Å; V6-F9 PolarHBondContact O-N 2.94Å; V6-L10 HydrophobicContact CG1-CD1 4.22Å; V6-L10 PolarHBondContact O-N 3.4Å; V6-L10 VanDerWaalsContact O-N 3.1Å
7	F	65.6	Low	66.2	Low	125 Å²	125	122.2 Å²	122.2	55%	0.548	67%	0.669	S	S	.	*	H	α-helix	trans	-66.4	-35.9	175.3	-71.8	-67.2	0	0	0	113.2	L3 I4 W5 L10 L11	L3-F7 HydrophobicContact CD2-CE2 3.73Å; L3-F7 HydrophobicContact CD2-CZ 4.36Å; L3-F7 HydrophobicContact CG-CE2 4.04Å; L3-F7 WeakPolarHBondContact O-CD2 3.43Å; L3-F7 PolarHBondContact O-N 2.77Å; I4-F7 PolarHBondContact O-N 3.15Å; W5-F7 VanDerWaalsContact C-N 3.32Å; W5-F7 PolarHBondContact O-N 3.32Å; F7-L10 PolarHBondContact O-N 3.32Å; F7-L11 PolarHBondContact O-N 2.75Å
8	L	63.4	Low	66	Low	109 Å²	109	124.7 Å²	124.7	57%	0.571	68%	0.675	S	S	*	*	H	α-helix	trans	-68.4	-37.5	175.6	-75.4	167.8	0	0	0	112.4	I4 W5 L11	I4-L8 HydrophobicContact CG2-CD1 4.32Å; I4-L8 PolarHBondContact O-N 2.82Å; W5-L8 PolarHBondContact O-N 3.19Å; L8-L11 PolarHBondContact O-N 2.85Å
9	F	62.9	Low	66.4	Low	163 Å²	163	123.4 Å²	123.4	72%	0.715	68%	0.676	S	S	*	*	H	α-helix	trans	-70.8	-28.3	174.9	-86.5	-77.9	0	0	0	113.5	W5 V6 S12	W5-F9 WeakPolarHBondContact O-CD2 3.14Å; W5-F9 PolarHBondContact O-N 3.06Å; V6-F9 PolarHBondContact O-N 2.94Å; F9-S12 PolarHBondContact O-OG 3.3Å
10	L	63.4	Low	67.6	Low	121 Å²	121	123.1 Å²	123.1	63%	0.634	67%	0.67	S	S	*	*	H	α-helix	trans	-76.5	-21.9	175	-76.1	167.3	0	0	0	113.3	V6 F7	V6-L10 HydrophobicContact CG1-CD1 4.22Å; V6-L10 PolarHBondContact O-N 3.4Å; V6-L10 VanDerWaalsContact O-N 3.1Å; F7-L10 PolarHBondContact O-N 3.32Å
11	L	60.3	Low	68.9	Low	143 Å²	143	119.6 Å²	119.6	75%	0.749	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-7.5	178.5	-82.4	162.3	0	0	0	114.1	F7 L8 V13	F7-L11 PolarHBondContact O-N 2.75Å; L8-L11 PolarHBondContact O-N 2.85Å; L11-V13 PolarHBondContact O-N 2.97Å; L11-V13 VanDerWaalsContact O-N 3.07Å
12	S	59.5	Low	70.4	Confident	79 Å²	79	114.7 Å²	114.7	55%	0.552	63%	0.627	S	S	*	*			trans	-82.4	43.6	170.4	55.5	0	0	0	0	112.5	F9 T14	F9-S12 PolarHBondContact O-OG 3.3Å; S12-T14 PolarHBondContact O-N 3.24Å
13	V	61.1	Low	71.5	Confident	123 Å²	123	110.4 Å²	110.4	75%	0.745	61%	0.609	S	S	*	*			trans	-70.5	92.4	159.2	-178.9	0	0	0	0	105.2	L11 A15	L11-V13 PolarHBondContact O-N 2.97Å; L11-V13 VanDerWaalsContact O-N 3.07Å; V13-A15 PolarHBondContact O-N 3.3Å
14	T	64.6	Low	72.8	Confident	124 Å²	124	111 Å²	111	76%	0.761	61%	0.608	S	S	*	*			trans	-56.3	109	174.2	46.5	0	0	0	0	107.2	S12 G16	S12-T14 PolarHBondContact O-N 3.24Å; T14-G16 PolarHBondContact O-N 3.18Å
15	A	63.4	Low	73.9	Confident	93 Å²	93	108.3 Å²	108.3	77%	0.769	59%	0.593	S	S	*	*			trans	-66.3	83	166.8	0	0	0	0	0	106.7	V13 V17	V13-A15 PolarHBondContact O-N 3.3Å; A15-V17 PolarHBondContact O-N 3.44Å; A15-V17 VanDerWaalsContact O-N 3.08Å
16	G	66.1	Low	75.2	Confident	60 Å²	60	102.6 Å²	102.6	62%	0.619	58%	0.577	S	S	*	*			trans	-59.6	113.2	169.3	0	0	0	0	0	107.2	T14 H18	T14-G16 PolarHBondContact O-N 3.18Å; G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.45Å
17	V	68.5	Low	76.4	Confident	131 Å²	131	101.5 Å²	101.5	79%	0.794	58%	0.582	S	S	*	*			trans	-70.2	92	170.5	176.8	0	0	0	0	106.6	A15 S19	A15-V17 PolarHBondContact O-N 3.44Å; A15-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 PolarHBondContact O-N 3.44Å
18	H	62.8	Low	77.9	Confident	167 Å²	167	101 Å²	101	77%	0.773	60%	0.601	S	S	*	*			trans	-76.1	104.5	166.1	-114.5	-99.5	0	0	0	107.2	G16 E20	G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.45Å; H18-E20 PolarHBondContact O-N 3.34Å
19	S	74.9	Confident	79.4	Confident	100 Å²	100	100.8 Å²	100.8	70%	0.699	60%	0.597	S	S	*	*			trans	-75.8	71.6	167	-64.2	0	0	0	0	108.8	V17	V17-S19 PolarHBondContact O-N 3.44Å
20	E	90.5	Very high	81	Confident	118 Å²	118	101.6 Å²	101.6	55%	0.551	61%	0.608	S	S	*	*			trans	-80.4	138	176.6	-168	179.4	-179.8	0	0	110.4	H18 Q22 G45	H18-E20 PolarHBondContact O-N 3.34Å; E20-Q22 PolarHBondContact OE1-NE2 3.1Å; E20-Q22 PolarHBondContact OE2-NE2 3.41Å; E20-G45 WeakPolarHBondContact O-CA 3.47Å
21	V	93.7	Very high	82.6	Confident	49 Å²	49	98.5 Å²	98.5	30%	0.297	59%	0.594	S	S	.	*			trans	-78	127.7	174.1	171.5	0	0	0	0	108.7	L23 S44 Y46	V21-L23 HydrophobicContact CG1-CD1 3.89Å; V21-S44 WeakPolarHBondContact CA-O 3.47Å; V21-Y46 HydrophobicContact CG1-CD1 3.9Å; V21-Y46 HydrophobicContact CG1-CE1 3.93Å; V21-Y46 HydrophobicContact CG2-CD1 4.23Å
22	Q	95.9	Very high	84.3	Confident	85 Å²	85	101.5 Å²	101.5	40%	0.397	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	136.8	-177.8	-62.4	-66.8	-8.8	0	0	110.7	E20 T43 S44	E20-Q22 PolarHBondContact OE1-NE2 3.1Å; E20-Q22 PolarHBondContact OE2-NE2 3.41Å; Q22-T43 VanDerWaalsContact O-CA 3.3Å; Q22-T43 WeakPolarHBondContact O-CA 3.08Å; Q22-S44 PolarHBondContact N-O 3.32Å; Q22-S44 PolarHBondContact O-N 3.41Å
23	L	97.5	Very high	86	Confident	56 Å²	56	103 Å²	103	29%	0.293	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	109.4	172.3	-80	72.1	0	0	0	108.1	V21 K42 T43 R117	V21-L23 HydrophobicContact CG1-CD1 3.89Å; L23-K42 CarbonylContact C-O 3.49Å; L23-K42 WeakPolarHBondContact CA-O 3.38Å; L23-T43 HydrophobicContact CG-CG2 4.25Å; L23-R117 HydrophobicContact CD2-CB 4.48Å
24	Q	97.9	Very high	87.7	Confident	137 Å²	137	99.8 Å²	99.8	64%	0.64	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.6	111.5	178.1	-179.8	60.7	64.6	0	0	110	K42	Q24-K42 HydrophobicContact CB-CB 4.47Å; Q24-K42 PolarHBondContact N-O 3.07Å; Q24-K42 PolarHBondContact O-N 3.34Å
25	Q	98.4	Very high	89.3	Confident	53 Å²	53	96.1 Å²	96.1	25%	0.248	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.7	154.9	176.8	-75.7	-174.7	-136.3	0	0	113	S40 Y113 F114 C115	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 VanDerWaalsContact CA-O 3.25Å; Q25-S40 WeakPolarHBondContact CA-O 3.27Å; Q25-Y113 PolarHBondContact NE2-O 3.39Å; Q25-F114 VanDerWaalsContact OE1-CA 3.31Å; Q25-C115 WeakPolarHBondContact CG-SG 3.44Å; Q25-C115 PolarHBondContact OE1-SG 3.49Å; Q25-C115 VanDerWaalsContact OE1-SG 3.42Å
26	S	97.6	Very high	90.9	Very high	33 Å²	33	94.5 Å²	94.5	23%	0.231	56%	0.557	C	S	.	*			trans	-59.6	152.6	163	52	0	0	0	0	110.7	M39 S40	S26-M39 WeakPolarHBondContact OG-CA 3.5Å; S26-S40 WeakPolarHBondContact CB-OG 3.37Å; S26-S40 PolarHBondContact N-O 3.33Å; S26-S40 PolarHBondContact OG-N 3.32Å
27	G	96.7	Very high	92.5	Very high	62 Å²	62	92.4 Å²	92.4	64%	0.639	53%	0.532	S	S	*	.			trans	-67.7	177.4	178.6	0	0	0	0	0	113.5
28	A	96.2	Very high	93.9	Very high	114 Å²	114	91.2 Å²	91.2	94%	0.942	52%	0.517	S	S	*	.			trans	-66.6	138.5	174.3	0	0	0	0	0	111
29	E	96	Very high	95.6	Very high	106 Å²	106	84.1 Å²	84.1	50%	0.495	48%	0.484	S	S	.	.			trans	-123	131	177.7	-70.7	-174	-130.7	0	0	110.5	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.45Å; E29-V37 HydrophobicContact CB-CG2 3.93Å; E29-V37 HydrophobicContact CG-CG2 4.33Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.35Å
30	L	96.5	Very high	96.7	Very high	180 Å²	180	81 Å²	81	94%	0.942	46%	0.462	S	S	*	.			trans	-101.9	115.5	171.2	-178.5	64.6	0	0	0	108.7
31	V	96	Very high	97.1	Very high	55 Å²	55	75.4 Å²	75.4	33%	0.333	44%	0.436	S	S	.	.			trans	-127.6	158.7	-176.2	-63.5	0	0	0	0	111.1	E29 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.45Å; V31-V37 HydrophobicContact CG1-CG2 4.5Å; V31-L105 HydrophobicContact CG2-CD1 3.33Å
32	R	95.7	Very high	97.3	Very high	207 Å²	207	78.7 Å²	78.7	78%	0.781	45%	0.446	S	S	*	.			trans	-78.4	148.3	179.4	-63.8	177.9	-175.5	163.4	1.3	110.7	S35	R32-S35 WeakPolarHBondContact O-CB 3.45Å; R32-S35 PolarHBondContact O-N 2.94Å; R32-S35 VanDerWaalsContact O-N 3.11Å; R32-S35 PolarHBondContact O-OG 3.06Å
33	P	96.1	Very high	97.3	Very high	109 Å²	109	74.9 Å²	74.9	71%	0.708	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	144.9	168.9	-25.8	34.6	0	0	0	112.1	S35 L105	P33-S35 PolarHBondContact O-N 2.89Å; P33-L105 CarbonylContact C-O 3.6Å; P33-L105 WeakPolarHBondContact CA-O 3.45Å
34	G	97.4	Very high	97.3	Very high	56 Å²	56	75.2 Å²	75.2	58%	0.577	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-12.9	-175.1	0	0	0	0	0	114.9	L105	G34-L105 PolarHBondContact N-O 3.31Å
35	S	97.7	Very high	97.1	Very high	48 Å²	48	70.8 Å²	70.8	34%	0.336	43%	0.427	S	S	.	.			trans	-75.8	176.3	176.9	-53.4	0	0	0	0	111.7	R32 P33 S104 L105	R32-S35 WeakPolarHBondContact O-CB 3.45Å; R32-S35 PolarHBondContact O-N 2.94Å; R32-S35 VanDerWaalsContact O-N 3.11Å; R32-S35 PolarHBondContact O-OG 3.06Å; P33-S35 PolarHBondContact O-N 2.89Å; S35-S104 PolarHBondContact O-N 3.29Å; S35-L105 WeakPolarHBondContact O-CG 3.29Å; S35-L105 PolarHBondContact O-N 2.89Å
36	S	97.7	Very high	96.8	Very high	58 Å²	58	70.3 Å²	70.3	41%	0.406	42%	0.423	S	S	.	.			trans	-112.2	155	168.4	-56.8	0	0	0	0	110.7	L102 S103	S36-L102 CarbonylContact C-O 3.56Å; S36-L102 WeakPolarHBondContact CA-O 3.38Å; S36-L102 WeakPolarHBondContact CB-O 3.3Å; S36-S103 WeakPolarHBondContact OG-CA 3.46Å
37	V	98.1	Very high	96.8	Very high	16 Å²	16	73 Å²	73	10%	0.097	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142	171.7	68.3	0	0	0	0	109.3	E29 V31 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.93Å; E29-V37 HydrophobicContact CG-CG2 4.33Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.35Å; V31-V37 HydrophobicContact CG1-CG2 4.5Å; V37-Q101 CarbonylContact O-C 3.52Å; V37-Q101 VanDerWaalsContact O-CA 3.27Å; V37-Q101 WeakPolarHBondContact O-CA 3.06Å; V37-L102 HydrophobicContact CG1-CB 4.07Å; V37-L102 PolarHBondContact N-O 3.35Å; V37-L102 PolarHBondContact O-N 3.31Å; V37-L105 HydrophobicContact CB-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD1 3.8Å; V37-L105 HydrophobicContact CG1-CD2 4.35Å
38	K	98.1	Very high	96.7	Very high	107 Å²	107	70.5 Å²	70.5	47%	0.465	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	110.7	177.7	-177.5	179.3	179.9	179.3	0	109.8	Y99 Q101	K38-Y99 HydrophobicContact CD-CD1 4.46Å; K38-Y99 VanDerWaalsContact CE-CD1 3.43Å; K38-Y99 HydrophobicContact CG-CD1 4.42Å; K38-Q101 HydrophobicContact CB-CB 4.43Å; K38-Q101 HydrophobicContact CB-CG 4.45Å; K38-Q101 HydrophobicContact CG-CB 4.44Å
39	M	98.1	Very high	96.8	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.089	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148	177.5	-63.8	170.8	-77.8	0	0	110.8	S26 W55 Y99 M100 L102 Y113	S26-M39 WeakPolarHBondContact OG-CA 3.5Å; M39-W55 HydrophobicContact CB-CH2 4.31Å; M39-W55 HydrophobicContact CB-CZ3 4.23Å; M39-Y99 VanDerWaalsContact O-CA 3.23Å; M39-Y99 WeakPolarHBondContact O-CA 3.32Å; M39-M100 HydrophobicContact CE-CE 3.15Å; M39-M100 HydrophobicContact CE-CG 4.47Å; M39-M100 PolarHBondContact N-O 2.59Å; M39-M100 PolarHBondContact O-N 3.37Å; M39-M100 HydrophobicContact SD-CE 4.47Å; M39-L102 HydrophobicContact CE-CD1 3.92Å; M39-L102 HydrophobicContact CE-CG 4.35Å; M39-Y113 HydrophobicContact CE-CD1 4.17Å; M39-Y113 HydrophobicContact CE-CD2 4.24Å; M39-Y113 HydrophobicContact CE-CG 3.88Å; M39-Y113 HydrophobicContact SD-CD2 4.09Å; M39-Y113 HydrophobicContact SD-CG 3.92Å
40	S	98.5	Very high	96.8	Very high	34 Å²	34	65.7 Å²	65.7	24%	0.238	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.9	176.4	65.6	0	0	0	0	111.4	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 VanDerWaalsContact CA-O 3.25Å; Q25-S40 WeakPolarHBondContact CA-O 3.27Å; S26-S40 WeakPolarHBondContact CB-OG 3.37Å; S26-S40 PolarHBondContact N-O 3.33Å; S26-S40 PolarHBondContact OG-N 3.32Å; S40-A98 CarbonylContact C-O 3.44Å; S40-A98 WeakPolarHBondContact CA-O 3.13Å
41	C	98.5	Very high	96.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	96.9	172.4	-178.1	0	0	0	0	108.5	W55 T97 A98 C115	C41-W55 HydrophobicContact CB-CH2 3.74Å; C41-W55 HydrophobicContact CB-CZ2 3.91Å; C41-T97 WeakPolarHBondContact O-CA 3.48Å; C41-A98 PolarHBondContact N-O 2.87Å; C41-A98 PolarHBondContact O-N 2.93Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.35Å; C41-C115 WeakPolarHBondContact SG-CB 3.34Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.97Å
42	K	98.2	Very high	96.7	Very high	119 Å²	119	60.5 Å²	60.5	52%	0.517	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.2	177.3	-176.7	173.9	-176.6	178	0	109.4	L23 Q24 T97	L23-K42 CarbonylContact C-O 3.49Å; L23-K42 WeakPolarHBondContact CA-O 3.38Å; Q24-K42 HydrophobicContact CB-CB 4.47Å; Q24-K42 PolarHBondContact N-O 3.07Å; Q24-K42 PolarHBondContact O-N 3.34Å; K42-T97 HydrophobicContact CB-CG2 4.43Å
43	T	97	Very high	96.8	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.8	-172.6	71.9	0	0	0	0	111.6	Q22 L23 Y46 F48 I53 S96	Q22-T43 VanDerWaalsContact O-CA 3.3Å; Q22-T43 WeakPolarHBondContact O-CA 3.08Å; L23-T43 HydrophobicContact CG-CG2 4.25Å; T43-Y46 VanDerWaalsContact CB-OH 3.22Å; T43-Y46 WeakPolarHBondContact CB-OH 3.34Å; T43-Y46 VanDerWaalsContact CG2-OH 3.31Å; T43-Y46 WeakPolarHBondContact CG2-OH 3.32Å; T43-Y46 PolarHBondContact OG1-OH 2.91Å; T43-F48 HydrophobicContact CG2-CD2 4.22Å; T43-F48 HydrophobicContact CG2-CE2 4.04Å; T43-F48 WeakPolarHBondContact OG1-CD2 3.41Å; T43-I53 HydrophobicContact CG2-CD1 4.16Å; T43-S96 PolarHBondContact N-O 3.47Å; T43-S96 WeakPolarHBondContact O-CB 3.27Å; T43-S96 PolarHBondContact OG1-O 2.87Å; T43-S96 VanDerWaalsContact OG1-O 3.11Å
44	S	95.7	Very high	97	Very high	63 Å²	63	47.8 Å²	47.8	44%	0.441	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.4	174.8	56.8	0	0	0	0	111.5	V21 Q22 Y46	V21-S44 WeakPolarHBondContact CA-O 3.47Å; Q22-S44 PolarHBondContact N-O 3.32Å; Q22-S44 PolarHBondContact O-N 3.41Å; S44-Y46 WeakPolarHBondContact O-CD1 3.35Å
45	G	94.3	Very high	97	Very high	44 Å²	44	45.1 Å²	45.1	45%	0.454	26%	0.259	S	S	.	.	S	Bend	trans	87.6	7.5	-177.9	0	0	0	0	0	114.5	E20	E20-G45 WeakPolarHBondContact O-CA 3.47Å
46	Y	93.6	Very high	97.1	Very high	43 Å²	43	44 Å²	44	17%	0.169	25%	0.25	C	C	.	.	S	Bend	trans	-163.5	169.7	177	67.8	-79.9	0	0	0	111.9	V21 T43 S44 F48 Y51 R117	V21-Y46 HydrophobicContact CG1-CD1 3.9Å; V21-Y46 HydrophobicContact CG1-CE1 3.93Å; V21-Y46 HydrophobicContact CG2-CD1 4.23Å; T43-Y46 VanDerWaalsContact CB-OH 3.22Å; T43-Y46 WeakPolarHBondContact CB-OH 3.34Å; T43-Y46 VanDerWaalsContact CG2-OH 3.31Å; T43-Y46 WeakPolarHBondContact CG2-OH 3.32Å; T43-Y46 PolarHBondContact OG1-OH 2.91Å; S44-Y46 WeakPolarHBondContact O-CD1 3.35Å; Y46-F48 PolarHBondContact O-N 2.75Å; Y46-Y51 AromaticContact CD2-CD2 3.62Å; Y46-Y51 HydrophobicContact CD2-CD2 3.62Å; Y46-Y51 HydrophobicContact CD2-CE2 4.13Å; Y46-Y51 AromaticContact CE2-CD2 3.9Å; Y46-Y51 HydrophobicContact CE2-CD2 3.9Å; Y46-Y51 HydrophobicContact CE2-CG 4.49Å; Y46-R117 VanDerWaalsContact CB-NH1 3.31Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.33Å; Y46-R117 HydrophobicContact CE2-CG 4.38Å; Y46-R117 WeakPolarHBondContact OH-CD 3.34Å
47	T	95.6	Very high	97.1	Very high	88 Å²	88	41.3 Å²	41.3	54%	0.54	23%	0.231	S	C	.	.			trans	-71.1	105.6	172	-56.3	0	0	0	0	110.4	T49 S50	T47-T49 WeakPolarHBondContact CG2-OG1 3.47Å; T47-T49 PolarHBondContact O-N 2.83Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T47-S50 WeakPolarHBondContact CB-OG 3.23Å; T47-S50 WeakPolarHBondContact CG2-OG 3.3Å; T47-S50 WeakPolarHBondContact O-CB 3.33Å; T47-S50 PolarHBondContact O-N 2.79Å
48	F	96.2	Very high	97.1	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.044	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-52.7	-37	-174.4	179.6	-126.8	0	0	0	114	T43 Y46 S50 I53 I72 T93 S96 T97 A98	T43-F48 HydrophobicContact CG2-CD2 4.22Å; T43-F48 HydrophobicContact CG2-CE2 4.04Å; T43-F48 WeakPolarHBondContact OG1-CD2 3.41Å; Y46-F48 PolarHBondContact O-N 2.75Å; F48-S50 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 3.14Å; F48-I53 HydrophobicContact CE2-CG1 4.26Å; F48-I72 HydrophobicContact CD1-CG2 3.61Å; F48-I72 HydrophobicContact CD2-CG1 4.44Å; F48-I72 HydrophobicContact CE1-CD1 4.22Å; F48-I72 HydrophobicContact CE1-CG1 4.35Å; F48-I72 HydrophobicContact CE1-CG2 3.52Å; F48-I72 HydrophobicContact CE2-CD1 4.08Å; F48-I72 HydrophobicContact CE2-CG1 4.02Å; F48-I72 HydrophobicContact CG-CG2 4.19Å; F48-I72 HydrophobicContact CZ-CD1 3.67Å; F48-I72 HydrophobicContact CZ-CG1 3.97Å; F48-I72 HydrophobicContact CZ-CG2 4.02Å; F48-T93 HydrophobicContact CD1-CG2 4.49Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; F48-T97 VanDerWaalsContact CZ-C 3.48Å; F48-A98 HydrophobicContact CE2-CB 4.49Å; F48-A98 HydrophobicContact CZ-CB 4.23Å
49	T	97.3	Very high	97	Very high	59 Å²	59	40.4 Å²	40.4	36%	0.362	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-74.2	-12.9	-179.4	53.8	0	0	0	0	114.5	T47 Y51 I72 G73 T93	T47-T49 WeakPolarHBondContact CG2-OG1 3.47Å; T47-T49 PolarHBondContact O-N 2.83Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T49-Y51 VanDerWaalsContact C-N 3.35Å; T49-I72 HydrophobicContact CG2-CG2 4.11Å; T49-G73 WeakPolarHBondContact O-CA 3.44Å; T49-G73 PolarHBondContact O-N 2.75Å; T49-T93 HydrophobicContact CG2-CG2 3.89Å
50	S	95.7	Very high	96.7	Very high	60 Å²	60	44.8 Å²	44.8	42%	0.42	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-80	-12.7	-176.5	-60.7	0	0	0	0	114.3	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.23Å; T47-S50 WeakPolarHBondContact CG2-OG 3.3Å; T47-S50 WeakPolarHBondContact O-CB 3.33Å; T47-S50 PolarHBondContact O-N 2.79Å; F48-S50 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 3.14Å
51	Y	94.6	Very high	96.5	Very high	115 Å²	115	47.6 Å²	47.6	45%	0.451	29%	0.29	S	S	.	.	S	Bend	trans	-131.4	162.2	-175	-66	-87.7	0	0	0	112	Y46 T49 I72 R117	Y46-Y51 AromaticContact CD2-CD2 3.62Å; Y46-Y51 HydrophobicContact CD2-CD2 3.62Å; Y46-Y51 HydrophobicContact CD2-CE2 4.13Å; Y46-Y51 AromaticContact CE2-CD2 3.9Å; Y46-Y51 HydrophobicContact CE2-CD2 3.9Å; Y46-Y51 HydrophobicContact CE2-CG 4.49Å; T49-Y51 VanDerWaalsContact C-N 3.35Å; Y51-I72 VanDerWaalsContact O-CG1 3.29Å; Y51-I72 WeakPolarHBondContact O-CG1 3.47Å; Y51-I72 PolarHBondContact O-N 2.77Å; Y51-R117 HydrophobicContact CD1-CG 4.28Å; Y51-R117 HydrophobicContact CG-CG 3.93Å
52	G	96.8	Very high	96.4	Very high	12 Å²	12	52.4 Å²	52.4	12%	0.124	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	160.2	165.9	0	0	0	0	0	111.8	I70	G52-I70 CarbonylContact C-O 3.53Å; G52-I70 WeakPolarHBondContact CA-O 3.29Å
53	I	98.4	Very high	96.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.2	169.3	-58.2	-61.9	0	0	0	108.5	T43 F48 Y69 I70 I72 A98 C115 A116 R117	T43-I53 HydrophobicContact CG2-CD1 4.16Å; F48-I53 HydrophobicContact CE2-CG1 4.26Å; I53-Y69 VanDerWaalsContact O-CA 3.24Å; I53-Y69 WeakPolarHBondContact O-CA 3.35Å; I53-I70 HydrophobicContact CB-CG2 4.27Å; I53-I70 PolarHBondContact N-O 2.83Å; I53-I70 PolarHBondContact O-N 2.86Å; I53-I72 HydrophobicContact CG1-CD1 4.2Å; I53-I72 HydrophobicContact CG1-CG1 4.3Å; I53-A98 HydrophobicContact CB-CB 4.03Å; I53-A98 HydrophobicContact CG1-CB 3.87Å; I53-A98 HydrophobicContact CG2-CB 4.02Å; I53-C115 HydrophobicContact CG2-CB 3.92Å; I53-A116 CarbonylContact C-O 3.51Å; I53-A116 WeakPolarHBondContact CA-O 3.32Å; I53-R117 HydrophobicContact CD1-CB 4.13Å; I53-R117 HydrophobicContact CD1-CG 4.35Å
54	N	98.6	Very high	96.2	Very high	48 Å²	48	54.6 Å²	54.6	26%	0.257	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	143.4	172.1	-74.2	-83.1	0	0	0	110.3	W66 Y69 C115 A116	N54-W66 PolarHBondContact OD1-NE1 3.19Å; N54-Y69 WeakPolarHBondContact OD1-CB 3.48Å; N54-C115 CarbonylContact O-C 3.56Å; N54-C115 VanDerWaalsContact O-CA 3.29Å; N54-C115 WeakPolarHBondContact O-CA 3.35Å; N54-A116 HydrophobicContact CB-CB 4.42Å; N54-A116 PolarHBondContact N-O 3.39Å; N54-A116 PolarHBondContact O-N 3.12Å
55	W	98.7	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.3	172.1	-68.8	90.6	0	0	0	110.5	M39 C41 I67 G68 L89 A98 M100 F114 C115	M39-W55 HydrophobicContact CB-CH2 4.31Å; M39-W55 HydrophobicContact CB-CZ3 4.23Å; C41-W55 HydrophobicContact CB-CH2 3.74Å; C41-W55 HydrophobicContact CB-CZ2 3.91Å; W55-I67 HydrophobicContact CB-CB 4.18Å; W55-I67 HydrophobicContact CB-CD1 4.28Å; W55-I67 WeakPolarHBondContact O-CB 3.25Å; W55-I67 PolarHBondContact O-N 3.42Å; W55-G68 PolarHBondContact N-O 2.94Å; W55-L89 VanDerWaalsContact CD1-CD2 3.48Å; W55-L89 HydrophobicContact CG-CD2 4.03Å; W55-A98 HydrophobicContact CZ2-CB 4.39Å; W55-M100 HydrophobicContact CB-CE 4.23Å; W55-M100 HydrophobicContact CB-SD 3.57Å; W55-M100 VanDerWaalsContact CB-SD 3.57Å; W55-M100 HydrophobicContact CD2-CB 3.55Å; W55-M100 HydrophobicContact CD2-CE 4.13Å; W55-M100 HydrophobicContact CD2-CG 4.35Å; W55-M100 HydrophobicContact CD2-SD 3.94Å; W55-M100 HydrophobicContact CE3-CB 3.82Å; W55-M100 HydrophobicContact CE3-CE 3.65Å; W55-M100 HydrophobicContact CE3-SD 4.1Å; W55-M100 HydrophobicContact CG-CB 4.04Å; W55-M100 HydrophobicContact CG-CE 4.4Å; W55-M100 HydrophobicContact CG-CG 4.46Å; W55-M100 HydrophobicContact CG-SD 3.74Å; W55-M100 HydrophobicContact CH2-CB 4.06Å; W55-M100 HydrophobicContact CZ2-CB 3.83Å; W55-M100 HydrophobicContact CZ3-CB 4.07Å; W55-M100 HydrophobicContact CZ3-CE 4.32Å; W55-F114 WeakPolarHBondContact CA-O 3.45Å; W55-C115 HydrophobicContact CD2-CB 4.26Å; W55-C115 HydrophobicContact CE3-CB 4.03Å; W55-C115 HydrophobicContact CH2-CB 4.03Å; W55-C115 HydrophobicContact CZ2-CB 4.22Å; W55-C115 HydrophobicContact CZ3-CB 3.91Å
56	V	98.5	Very high	96.5	Very high	23 Å²	23	55.3 Å²	55.3	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.4	-173.2	-175.8	0	0	0	0	109.4	L64 E65 Y113 F114	V56-L64 HydrophobicContact CG1-CB 3.75Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.25Å; V56-E65 WeakPolarHBondContact CA-O 3.37Å; V56-Y113 CarbonylContact O-C 3.54Å; V56-Y113 WeakPolarHBondContact O-CA 3.25Å; V56-F114 PolarHBondContact N-O 2.84Å; V56-F114 PolarHBondContact O-N 2.8Å
57	K	98	Very high	96.7	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.2	172.7	-178.8	-179.5	-174.8	174.8	0	109.5	R59 E65 I67 F83 E108 D109 A111 I112 Y113	K57-R59 VanDerWaalsContact NZ-NH2 3.17Å; K57-E65 HydrophobicContact CB-CB 4.29Å; K57-E65 PolarHBondContact N-O 2.77Å; K57-E65 PolarHBondContact O-N 2.79Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.17Å; K57-F83 HydrophobicContact CB-CZ 4.35Å; K57-F83 HydrophobicContact CD-CE1 4.01Å; K57-F83 HydrophobicContact CD-CZ 3.84Å; K57-E108 WeakPolarHBondContact CE-O 3.37Å; K57-E108 PolarHBondContact NZ-O 2.89Å; K57-D109 IonicContact NZ-OD1 2.75Å; K57-D109 PolarHBondContact NZ-OD1 3.2Å; K57-A111 HydrophobicContact CD-CB 4.19Å; K57-A111 HydrophobicContact CG-CB 3.59Å; K57-I112 CarbonylContact C-O 3.55Å; K57-Y113 HydrophobicContact CB-CD1 4.04Å; K57-Y113 HydrophobicContact CB-CE1 3.78Å; K57-Y113 HydrophobicContact CD-CE1 3.94Å; K57-Y113 WeakPolarHBondContact CE-OH 3.34Å; K57-Y113 HydrophobicContact CG-CD1 4.26Å; K57-Y113 HydrophobicContact CG-CE1 3.69Å
58	Q	97.9	Very high	96.9	Very high	67 Å²	67	49.1 Å²	49.1	31%	0.313	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121	172.4	-169.2	178.1	32.8	0	0	110	L64 A111 I112 F114	Q58-L64 HydrophobicContact CB-CD2 3.78Å; Q58-L64 HydrophobicContact CG-CD2 3.82Å; Q58-A111 WeakPolarHBondContact O-CB 3.11Å; Q58-I112 PolarHBondContact N-O 3.25Å; Q58-I112 PolarHBondContact O-N 3.35Å; Q58-F114 HydrophobicContact CB-CD2 4.35Å; Q58-F114 HydrophobicContact CB-CE2 3.79Å; Q58-F114 VanDerWaalsContact OE1-CE2 3.27Å
59	R	95.7	Very high	97	Very high	36 Å²	36	51.4 Å²	51.4	14%	0.136	30%	0.298	C	S	.	.			trans	-90.4	147.4	169.1	-62.4	-169.2	-165	87.5	-0.5	110.2	K57 G61 Q62 E65 E108 A111	K57-R59 VanDerWaalsContact NZ-NH2 3.17Å; R59-G61 PolarHBondContact O-N 3.07Å; R59-Q62 HydrophobicContact CB-CB 3.99Å; R59-Q62 HydrophobicContact CB-CG 4.01Å; R59-Q62 PolarHBondContact O-N 3.42Å; R59-E65 IonicContact CZ-OE1 3.14Å; R59-E65 IonicContact NH1-OE1 3.29Å; R59-E65 PolarHBondContact NH1-OE1 3.19Å; R59-E65 IonicContact NH2-OE1 2.75Å; R59-E108 PolarHBondContact NE-O 3.47Å; R59-E108 PolarHBondContact NH2-O 3.02Å; R59-A111 HydrophobicContact CG-CB 4.01Å
60	P	92.9	Very high	97	Very high	110 Å²	110	48.9 Å²	48.9	71%	0.714	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	127	172.5	-25.7	34.6	0	0	0	111.2	Q62	P60-Q62 PolarHBondContact O-N 2.94Å
61	G	95.1	Very high	97.2	Very high	94 Å²	94	50.1 Å²	50.1	97%	0.969	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	5.7	-178.8	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 3.07Å
62	Q	94.6	Very high	97.3	Very high	101 Å²	101	45 Å²	45	47%	0.472	26%	0.259	S	S	.	.	S	Bend	trans	-116.4	167	175.7	-57.7	-176.9	22	0	0	111.4	R59 P60	R59-Q62 HydrophobicContact CB-CB 3.99Å; R59-Q62 HydrophobicContact CB-CG 4.01Å; R59-Q62 PolarHBondContact O-N 3.42Å; P60-Q62 PolarHBondContact O-N 2.94Å
63	G	94.7	Very high	97.3	Very high	53 Å²	53	46.6 Å²	46.6	55%	0.546	28%	0.275	S	S	.	.			trans	-69.8	175.6	174.8	0	0	0	0	0	113.7
64	L	97.4	Very high	97.2	Very high	117 Å²	117	52 Å²	52	61%	0.613	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.2	171.5	-62.2	178	0	0	0	109.8	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.75Å; V56-L64 HydrophobicContact CG1-CD2 3.9Å; V56-L64 HydrophobicContact CG1-CG 4.25Å; Q58-L64 HydrophobicContact CB-CD2 3.78Å; Q58-L64 HydrophobicContact CG-CD2 3.82Å
65	E	97.8	Very high	97.1	Very high	42 Å²	42	51.7 Å²	51.7	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	170.8	-67.2	-175.1	-166.8	0	0	108.9	V56 K57 R59 K82 F83	V56-E65 WeakPolarHBondContact CA-O 3.37Å; K57-E65 HydrophobicContact CB-CB 4.29Å; K57-E65 PolarHBondContact N-O 2.77Å; K57-E65 PolarHBondContact O-N 2.79Å; R59-E65 IonicContact CZ-OE1 3.14Å; R59-E65 IonicContact NH1-OE1 3.29Å; R59-E65 PolarHBondContact NH1-OE1 3.19Å; R59-E65 IonicContact NH2-OE1 2.75Å; E65-K82 VanDerWaalsContact CD-NZ 3.3Å; E65-K82 IonicContact OE1-NZ 2.86Å; E65-K82 PolarHBondContact OE1-NZ 3.01Å; E65-K82 VanDerWaalsContact OE1-NZ 3.14Å; E65-K82 IonicContact OE2-NZ 2.87Å; E65-K82 PolarHBondContact OE2-NZ 2.74Å; E65-F83 HydrophobicContact CB-CE2 4.44Å
66	W	98.3	Very high	97.1	Very high	80 Å²	80	57.2 Å²	57.2	30%	0.303	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.5	173.7	-178.9	78.4	0	0	0	110.7	N54 G68 Y69 E78 N80	N54-W66 PolarHBondContact OD1-NE1 3.19Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 PolarHBondContact NE1-O 3.04Å; W66-Y69 AromaticContact CZ2-CD1 3.94Å; W66-Y69 HydrophobicContact CZ2-CD1 3.94Å; W66-E78 HydrophobicContact CH2-CB 4.22Å; W66-E78 HydrophobicContact CH2-CG 4.08Å; W66-N80 HydrophobicContact CE3-CB 3.76Å; W66-N80 HydrophobicContact CZ3-CB 4.02Å; W66-N80 VanDerWaalsContact CZ3-N 3.31Å; W66-N80 WeakPolarHBondContact O-CB 3.5Å; W66-N80 PolarHBondContact O-ND2 2.94Å
67	I	98.6	Very high	97.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-46	-177.3	-58.5	174.3	0	0	0	110.4	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.18Å; W55-I67 HydrophobicContact CB-CD1 4.28Å; W55-I67 WeakPolarHBondContact O-CB 3.25Å; W55-I67 PolarHBondContact O-N 3.42Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.17Å; I67-N80 PolarHBondContact O-N 3.41Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.29Å; I67-F83 HydrophobicContact CB-CG 4.2Å; I67-F83 HydrophobicContact CD1-CE1 4.45Å; I67-F83 HydrophobicContact CG1-CD1 4.14Å; I67-F83 HydrophobicContact CG1-CD2 4.25Å; I67-F83 HydrophobicContact CG1-CE1 4Å; I67-F83 HydrophobicContact CG1-CE2 4.09Å; I67-F83 HydrophobicContact CG1-CG 4.26Å; I67-F83 HydrophobicContact CG1-CZ 3.96Å; I67-F83 HydrophobicContact CG2-CB 3.7Å; I67-F83 HydrophobicContact CG2-CD1 3.88Å; I67-F83 HydrophobicContact CG2-CD2 4.27Å; I67-F83 HydrophobicContact CG2-CG 3.69Å; I67-A87 HydrophobicContact CG2-CB 3.73Å; I67-M100 HydrophobicContact CB-SD 4.39Å; I67-M100 HydrophobicContact CD1-CE 3.55Å; I67-M100 HydrophobicContact CD1-SD 3.58Å; I67-M100 VanDerWaalsContact CD1-SD 3.58Å; I67-M100 HydrophobicContact CG2-SD 3.8Å; I67-Y113 HydrophobicContact CD1-CD1 3.68Å; I67-Y113 HydrophobicContact CD1-CE1 3.79Å
68	G	98.6	Very high	97.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.4	174.9	-173.1	0	0	0	0	0	111.7	W55 W66 E78	W55-G68 PolarHBondContact N-O 2.94Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 PolarHBondContact NE1-O 3.04Å; G68-E78 CarbonylContact C-O 3.59Å; G68-E78 WeakPolarHBondContact CA-O 3.46Å
69	Y	98.3	Very high	97.2	Very high	59 Å²	59	61.8 Å²	61.8	23%	0.231	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156	170.6	90.2	-83.3	0	0	0	111.6	I53 N54 W66 Y76 T77 E78	I53-Y69 VanDerWaalsContact O-CA 3.24Å; I53-Y69 WeakPolarHBondContact O-CA 3.35Å; N54-Y69 WeakPolarHBondContact OD1-CB 3.48Å; W66-Y69 AromaticContact CZ2-CD1 3.94Å; W66-Y69 HydrophobicContact CZ2-CD1 3.94Å; Y69-Y76 HydrophobicContact CE1-CD1 4.38Å; Y69-Y76 AromaticContact CE1-CE1 3.98Å; Y69-Y76 HydrophobicContact CE1-CE1 3.98Å; Y69-Y76 HydrophobicContact CE2-CD1 4.25Å; Y69-Y76 AromaticContact CZ-CD1 3.72Å; Y69-Y76 AromaticContact CZ-CE1 3.67Å; Y69-Y76 VanDerWaalsContact OH-CD1 3.25Å; Y69-Y76 WeakPolarHBondContact OH-CD1 3.44Å; Y69-Y76 WeakPolarHBondContact OH-CE1 3.03Å; Y69-T77 VanDerWaalsContact O-CA 3.3Å; Y69-T77 WeakPolarHBondContact O-CA 2.97Å; Y69-E78 HydrophobicContact CD1-CB 3.55Å; Y69-E78 HydrophobicContact CE1-CB 3.33Å; Y69-E78 HydrophobicContact CE1-CG 4.34Å; Y69-E78 WeakPolarHBondContact CE1-OE2 3.39Å; Y69-E78 PolarHBondContact N-O 3.06Å; Y69-E78 PolarHBondContact O-N 2.96Å
70	I	98.7	Very high	97.3	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.3	170.2	-179.5	169.5	0	0	0	109.3	G52 I53 I72 Y76 T77 L89	G52-I70 CarbonylContact C-O 3.53Å; G52-I70 WeakPolarHBondContact CA-O 3.29Å; I53-I70 HydrophobicContact CB-CG2 4.27Å; I53-I70 PolarHBondContact N-O 2.83Å; I53-I70 PolarHBondContact O-N 2.86Å; I70-I72 HydrophobicContact CG1-CD1 4.36Å; I70-I72 HydrophobicContact CG2-CD1 3.94Å; I70-I72 PolarHBondContact O-N 2.9Å; I70-Y76 CarbonylContact C-O 3.54Å; I70-Y76 WeakPolarHBondContact CA-O 3Å; I70-T77 HydrophobicContact CB-CG2 4.04Å; I70-T77 HydrophobicContact CD1-CG2 4.16Å; I70-T77 HydrophobicContact CG1-CG2 3.92Å; I70-L89 HydrophobicContact CB-CB 4.12Å; I70-L89 HydrophobicContact CG2-CB 4.35Å
71	Y	98.3	Very high	97.5	Very high	86 Å²	86	63.8 Å²	63.8	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	112.6	168.2	-172.9	-105.2	0	0	0	109.6	G73 N74 G75 Y76	Y71-G73 VanDerWaalsContact C-N 3.32Å; Y71-G73 PolarHBondContact O-N 2.79Å; Y71-N74 HydrophobicContact CD1-CB 4.31Å; Y71-N74 WeakPolarHBondContact CD1-OD1 3.32Å; Y71-G75 VanDerWaalsContact O-CA 3.31Å; Y71-G75 WeakPolarHBondContact O-CA 3.45Å; Y71-G75 PolarHBondContact O-N 2.87Å; Y71-Y76 PolarHBondContact N-O 2.81Å
72	I	97.6	Very high	97.6	Very high	9 Å²	9	64.7 Å²	64.7	5%	0.046	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.7	-169.8	-54.4	-62.3	0	0	0	112	F48 T49 Y51 I53 I70 N74 S91 T93 A98	F48-I72 HydrophobicContact CD1-CG2 3.61Å; F48-I72 HydrophobicContact CD2-CG1 4.44Å; F48-I72 HydrophobicContact CE1-CD1 4.22Å; F48-I72 HydrophobicContact CE1-CG1 4.35Å; F48-I72 HydrophobicContact CE1-CG2 3.52Å; F48-I72 HydrophobicContact CE2-CD1 4.08Å; F48-I72 HydrophobicContact CE2-CG1 4.02Å; F48-I72 HydrophobicContact CG-CG2 4.19Å; F48-I72 HydrophobicContact CZ-CD1 3.67Å; F48-I72 HydrophobicContact CZ-CG1 3.97Å; F48-I72 HydrophobicContact CZ-CG2 4.02Å; T49-I72 HydrophobicContact CG2-CG2 4.11Å; Y51-I72 VanDerWaalsContact O-CG1 3.29Å; Y51-I72 WeakPolarHBondContact O-CG1 3.47Å; Y51-I72 PolarHBondContact O-N 2.77Å; I53-I72 HydrophobicContact CG1-CD1 4.2Å; I53-I72 HydrophobicContact CG1-CG1 4.3Å; I70-I72 HydrophobicContact CG1-CD1 4.36Å; I70-I72 HydrophobicContact CG2-CD1 3.94Å; I70-I72 PolarHBondContact O-N 2.9Å; I72-N74 VanDerWaalsContact C-N 3.3Å; I72-N74 PolarHBondContact O-N 2.86Å; I72-S91 VanDerWaalsContact CD1-CB 3.47Å; I72-T93 HydrophobicContact CG2-CG2 4Å; I72-A98 HydrophobicContact CD1-CB 4.46Å
73	G	96.7	Very high	97.7	Very high	44 Å²	44	60 Å²	60	45%	0.454	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.5	-175.4	0	0	0	0	0	115.2	T49 Y71	T49-G73 WeakPolarHBondContact O-CA 3.44Å; T49-G73 PolarHBondContact O-N 2.75Å; Y71-G73 VanDerWaalsContact C-N 3.32Å; Y71-G73 PolarHBondContact O-N 2.79Å
74	N	96.6	Very high	97.8	Very high	116 Å²	116	63.3 Å²	63.3	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.4	-0.4	179.2	70	15.3	0	0	0	114.3	Y71 I72 Y76	Y71-N74 HydrophobicContact CD1-CB 4.31Å; Y71-N74 WeakPolarHBondContact CD1-OD1 3.32Å; I72-N74 VanDerWaalsContact C-N 3.3Å; I72-N74 PolarHBondContact O-N 2.86Å; N74-Y76 VanDerWaalsContact C-N 3.27Å; N74-Y76 PolarHBondContact O-N 2.02Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.48Å; N74-Y76 PolarHBondContact OD1-N 2.88Å
75	G	97	Very high	97.8	Very high	40 Å²	40	61.1 Å²	61.1	41%	0.412	32%	0.318	S	S	.	.			trans	74.9	8.4	-179.6	0	0	0	0	0	115	Y71 T77	Y71-G75 VanDerWaalsContact O-CA 3.31Å; Y71-G75 WeakPolarHBondContact O-CA 3.45Å; Y71-G75 PolarHBondContact O-N 2.87Å; G75-T77 PolarHBondContact O-N 3.01Å
76	Y	98.1	Very high	97.7	Very high	117 Å²	117	61.3 Å²	61.3	46%	0.459	32%	0.318	S	S	.	.			trans	-60	133.8	175.7	176.4	-93.4	0	0	0	110.5	Y69 I70 Y71 N74 E78	Y69-Y76 HydrophobicContact CE1-CD1 4.38Å; Y69-Y76 AromaticContact CE1-CE1 3.98Å; Y69-Y76 HydrophobicContact CE1-CE1 3.98Å; Y69-Y76 HydrophobicContact CE2-CD1 4.25Å; Y69-Y76 AromaticContact CZ-CD1 3.72Å; Y69-Y76 AromaticContact CZ-CE1 3.67Å; Y69-Y76 VanDerWaalsContact OH-CD1 3.25Å; Y69-Y76 WeakPolarHBondContact OH-CD1 3.44Å; Y69-Y76 WeakPolarHBondContact OH-CE1 3.03Å; I70-Y76 CarbonylContact C-O 3.54Å; I70-Y76 WeakPolarHBondContact CA-O 3Å; Y71-Y76 PolarHBondContact N-O 2.81Å; N74-Y76 VanDerWaalsContact C-N 3.27Å; N74-Y76 PolarHBondContact O-N 2.02Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.48Å; N74-Y76 PolarHBondContact OD1-N 2.88Å; Y76-E78 HydrophobicContact CE1-CB 4.04Å
77	T	98.5	Very high	97.7	Very high	49 Å²	49	57.7 Å²	57.7	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.9	178.2	57	0	0	0	0	111.1	Y69 I70 G75 Y79 L89	Y69-T77 VanDerWaalsContact O-CA 3.3Å; Y69-T77 WeakPolarHBondContact O-CA 2.97Å; I70-T77 HydrophobicContact CB-CG2 4.04Å; I70-T77 HydrophobicContact CD1-CG2 4.16Å; I70-T77 HydrophobicContact CG1-CG2 3.92Å; G75-T77 PolarHBondContact O-N 3.01Å; T77-Y79 HydrophobicContact CG2-CE2 4.49Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.17Å; T77-L89 HydrophobicContact CG2-CB 4.25Å
78	E	98.3	Very high	97.7	Very high	90 Å²	90	60.9 Å²	60.9	42%	0.421	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.8	167.7	-163.5	-179.1	154.9	0	0	109.2	W66 G68 Y69 Y76	W66-E78 HydrophobicContact CH2-CB 4.22Å; W66-E78 HydrophobicContact CH2-CG 4.08Å; G68-E78 CarbonylContact C-O 3.59Å; G68-E78 WeakPolarHBondContact CA-O 3.46Å; Y69-E78 HydrophobicContact CD1-CB 3.55Å; Y69-E78 HydrophobicContact CE1-CB 3.33Å; Y69-E78 HydrophobicContact CE1-CG 4.34Å; Y69-E78 WeakPolarHBondContact CE1-OE2 3.39Å; Y69-E78 PolarHBondContact N-O 3.06Å; Y69-E78 PolarHBondContact O-N 2.96Å; Y76-E78 HydrophobicContact CE1-CB 4.04Å
79	Y	98.7	Very high	97.7	Very high	50 Å²	50	61.2 Å²	61.2	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.1	-176.3	-65.7	-93.4	0	0	0	110.3	T77 A87 L89	T77-Y79 HydrophobicContact CG2-CE2 4.49Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.17Å; Y79-A87 HydrophobicContact CD1-CB 4.43Å; Y79-A87 HydrophobicContact CE1-CB 4.24Å; Y79-A87 WeakPolarHBondContact CE1-O 3.44Å; Y79-L89 HydrophobicContact CE1-CD1 4.08Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 3.4Å; Y79-L89 VanDerWaalsContact OH-N 3.07Å
80	N	98.2	Very high	97.7	Very high	54 Å²	54	61.2 Å²	61.2	29%	0.289	33%	0.333	S	S	.	.			trans	-66.2	132.1	156.8	-177.9	-38.1	0	0	0	108.7	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.76Å; W66-N80 HydrophobicContact CZ3-CB 4.02Å; W66-N80 VanDerWaalsContact CZ3-N 3.31Å; W66-N80 WeakPolarHBondContact O-CB 3.5Å; W66-N80 PolarHBondContact O-ND2 2.94Å; I67-N80 PolarHBondContact O-N 3.41Å; N80-K82 PolarHBondContact O-N 2.92Å; N80-K82 WeakPolarHBondContact OD1-CB 2.98Å; N80-K82 PolarHBondContact OD1-N 2.95Å; N80-F83 HydrophobicContact CB-CD2 4Å; N80-F83 PolarHBondContact O-N 3.08Å; N80-K84 PolarHBondContact O-N 3.13Å; N80-K84 VanDerWaalsContact O-N 3.16Å
81	E	97.9	Very high	97.7	Very high	134 Å²	134	62.9 Å²	62.9	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.2	-178.1	-69.8	-61.4	142.1	0	0	113.1	F83 K84	E81-F83 VanDerWaalsContact C-N 3.25Å; E81-F83 PolarHBondContact O-N 2.84Å; E81-K84 WeakPolarHBondContact O-CB 3.22Å; E81-K84 PolarHBondContact O-N 3.02Å; E81-K84 IonicContact OE1-NZ 3.73Å; E81-K84 PolarHBondContact OE1-NZ 3.39Å; E81-K84 VanDerWaalsContact OE2-CD 3.27Å; E81-K84 WeakPolarHBondContact OE2-CD 3.3Å; E81-K84 IonicContact OE2-NZ 3.34Å; E81-K84 PolarHBondContact OE2-NZ 3.27Å
82	K	96.2	Very high	97.7	Very high	112 Å²	112	61.4 Å²	61.4	49%	0.487	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.1	175.6	-177.4	-178.8	-178.5	-178.2	0	113.8	E65 N80	E65-K82 VanDerWaalsContact CD-NZ 3.3Å; E65-K82 IonicContact OE1-NZ 2.86Å; E65-K82 PolarHBondContact OE1-NZ 3.01Å; E65-K82 VanDerWaalsContact OE1-NZ 3.14Å; E65-K82 IonicContact OE2-NZ 2.87Å; E65-K82 PolarHBondContact OE2-NZ 2.74Å; N80-K82 PolarHBondContact O-N 2.92Å; N80-K82 WeakPolarHBondContact OD1-CB 2.98Å; N80-K82 PolarHBondContact OD1-N 2.95Å
83	F	97.9	Very high	97.7	Very high	3 Å²	3	65 Å²	65	1%	0.013	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.8	-175.7	-66.3	-86.7	0	0	0	112.9	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.35Å; K57-F83 HydrophobicContact CD-CE1 4.01Å; K57-F83 HydrophobicContact CD-CZ 3.84Å; E65-F83 HydrophobicContact CB-CE2 4.44Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.29Å; I67-F83 HydrophobicContact CB-CG 4.2Å; I67-F83 HydrophobicContact CD1-CE1 4.45Å; I67-F83 HydrophobicContact CG1-CD1 4.14Å; I67-F83 HydrophobicContact CG1-CD2 4.25Å; I67-F83 HydrophobicContact CG1-CE1 4Å; I67-F83 HydrophobicContact CG1-CE2 4.09Å; I67-F83 HydrophobicContact CG1-CG 4.26Å; I67-F83 HydrophobicContact CG1-CZ 3.96Å; I67-F83 HydrophobicContact CG2-CB 3.7Å; I67-F83 HydrophobicContact CG2-CD1 3.88Å; I67-F83 HydrophobicContact CG2-CD2 4.27Å; I67-F83 HydrophobicContact CG2-CG 3.69Å; N80-F83 HydrophobicContact CB-CD2 4Å; N80-F83 PolarHBondContact O-N 3.08Å; E81-F83 VanDerWaalsContact C-N 3.25Å; E81-F83 PolarHBondContact O-N 2.84Å; F83-G85 PolarHBondContact O-N 2.64Å; F83-K86 PolarHBondContact O-N 2.79Å; F83-A87 HydrophobicContact CB-CB 4.18Å; F83-A87 PolarHBondContact O-N 3.16Å
84	K	97	Very high	97.7	Very high	122 Å²	122	68 Å²	68	53%	0.53	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	129.8	175.6	-159.8	174.6	-166.7	169.4	0	110.2	N80 E81 K86	N80-K84 PolarHBondContact O-N 3.13Å; N80-K84 VanDerWaalsContact O-N 3.16Å; E81-K84 WeakPolarHBondContact O-CB 3.22Å; E81-K84 PolarHBondContact O-N 3.02Å; E81-K84 IonicContact OE1-NZ 3.73Å; E81-K84 PolarHBondContact OE1-NZ 3.39Å; E81-K84 VanDerWaalsContact OE2-CD 3.27Å; E81-K84 WeakPolarHBondContact OE2-CD 3.3Å; E81-K84 IonicContact OE2-NZ 3.34Å; E81-K84 PolarHBondContact OE2-NZ 3.27Å; K84-K86 PolarHBondContact O-N 2.95Å; K84-K86 VanDerWaalsContact O-N 3.13Å
85	G	95.8	Very high	97.7	Very high	71 Å²	71	64.2 Å²	64.2	73%	0.732	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-21	-174	0	0	0	0	0	114.9	F83	F83-G85 PolarHBondContact O-N 2.64Å
86	K	97.1	Very high	97.8	Very high	47 Å²	47	64.1 Å²	64.1	20%	0.204	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-45.3	174.1	-172.2	166.4	-167.5	167.1	0	112.3	F83 K84 L102 S103 D109	F83-K86 PolarHBondContact O-N 2.79Å; K84-K86 PolarHBondContact O-N 2.95Å; K84-K86 VanDerWaalsContact O-N 3.13Å; K86-L102 HydrophobicContact CG-CD2 4.49Å; K86-L102 WeakPolarHBondContact O-CA 3.08Å; K86-S103 PolarHBondContact O-N 2.76Å; K86-S103 PolarHBondContact O-OG 2.96Å; K86-D109 WeakPolarHBondContact CE-OD1 3.31Å; K86-D109 WeakPolarHBondContact CE-OD2 3.35Å; K86-D109 IonicContact NZ-OD1 2.59Å; K86-D109 PolarHBondContact NZ-OD1 3.07Å; K86-D109 IonicContact NZ-OD2 3.94Å; K86-D109 PolarHBondContact NZ-OD2 3.43Å
87	A	98.5	Very high	97.8	Very high	3 Å²	3	59 Å²	59	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.1	177.5	0	0	0	0	0	111.1	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.73Å; Y79-A87 HydrophobicContact CD1-CB 4.43Å; Y79-A87 HydrophobicContact CE1-CB 4.24Å; Y79-A87 WeakPolarHBondContact CE1-O 3.44Å; F83-A87 HydrophobicContact CB-CB 4.18Å; F83-A87 PolarHBondContact O-N 3.16Å; A87-Q101 CarbonylContact C-O 3.56Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.42Å; A87-L102 HydrophobicContact CB-CD2 3.8Å
88	T	98.6	Very high	97.8	Very high	67 Å²	67	56.6 Å²	56.6	41%	0.411	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.9	170.2	-58.4	0	0	0	0	108.6	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.27Å; T88-M100 WeakPolarHBondContact O-CA 3.41Å; T88-Q101 PolarHBondContact N-O 2.9Å; T88-Q101 PolarHBondContact O-N 3.11Å
89	L	98.7	Very high	97.8	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.2	179.2	-52.9	-174.8	0	0	0	109.9	W55 I70 T77 Y79 Y99 M100	W55-L89 VanDerWaalsContact CD1-CD2 3.48Å; W55-L89 HydrophobicContact CG-CD2 4.03Å; I70-L89 HydrophobicContact CB-CB 4.12Å; I70-L89 HydrophobicContact CG2-CB 4.35Å; T77-L89 HydrophobicContact CG2-CB 4.25Å; Y79-L89 HydrophobicContact CE1-CD1 4.08Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 3.4Å; Y79-L89 VanDerWaalsContact OH-N 3.07Å; L89-Y99 WeakPolarHBondContact CA-O 3.38Å; L89-M100 HydrophobicContact CD2-CB 3.76Å; L89-M100 HydrophobicContact CD2-CG 3.64Å; L89-M100 HydrophobicContact CD2-SD 3.97Å
90	T	98.3	Very high	97.8	Very high	58 Å²	58	52.5 Å²	52.5	36%	0.356	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	168	177.7	53.4	0	0	0	0	110.4	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.27Å; T90-Y99 PolarHBondContact N-O 2.86Å; T90-Y99 PolarHBondContact O-N 3.29Å
91	S	98.2	Very high	97.8	Very high	41 Å²	41	53.6 Å²	53.6	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153	176.3	57.3	0	0	0	0	111.6	I72 T97	I72-S91 VanDerWaalsContact CD1-CB 3.47Å; S91-T97 CarbonylContact C-O 3.46Å; S91-T97 WeakPolarHBondContact CA-O 3.39Å
92	D	97.8	Very high	97.8	Very high	54 Å²	54	47.2 Å²	47.2	29%	0.289	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	109.2	169.7	173	12.6	0	0	0	108.4	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 3.27Å; D92-S94 WeakPolarHBondContact OD1-CB 3.42Å; D92-S94 PolarHBondContact OD1-N 3.05Å; D92-S94 PolarHBondContact OD1-OG 3.05Å; D92-S94 PolarHBondContact OD2-OG 2.99Å; D92-S95 WeakPolarHBondContact OD2-CB 3.43Å; D92-S95 PolarHBondContact OD2-OG 3.13Å; D92-S96 PolarHBondContact O-N 2.91Å; D92-S96 VanDerWaalsContact O-N 3.13Å; D92-T97 PolarHBondContact N-O 2.89Å; D92-T97 PolarHBondContact O-N 2.89Å; D92-Y99 HydrophobicContact CB-CE2 4.04Å
93	T	97	Very high	97.9	Very high	85 Å²	85	43.4 Å²	43.4	52%	0.521	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.8	-178.2	53.7	0	0	0	0	112.8	F48 T49 I72 S95	F48-T93 HydrophobicContact CD1-CG2 4.49Å; T49-T93 HydrophobicContact CG2-CG2 3.89Å; I72-T93 HydrophobicContact CG2-CG2 4Å; T93-S95 VanDerWaalsContact C-N 3.35Å
94	S	96.9	Very high	97.9	Very high	106 Å²	106	47 Å²	47	74%	0.741	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-31.6	178.8	73.9	0	0	0	0	112.2	D92	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 3.27Å; D92-S94 WeakPolarHBondContact OD1-CB 3.42Å; D92-S94 PolarHBondContact OD1-N 3.05Å; D92-S94 PolarHBondContact OD1-OG 3.05Å; D92-S94 PolarHBondContact OD2-OG 2.99Å
95	S	97.7	Very high	97.9	Very high	37 Å²	37	41.9 Å²	41.9	26%	0.259	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	1.9	179.5	66.7	0	0	0	0	114.1	D92 T93 T97	D92-S95 WeakPolarHBondContact OD2-CB 3.43Å; D92-S95 PolarHBondContact OD2-OG 3.13Å; T93-S95 VanDerWaalsContact C-N 3.35Å; S95-T97 VanDerWaalsContact C-N 3.25Å; S95-T97 PolarHBondContact O-N 3.34Å; S95-T97 PolarHBondContact O-OG1 2.82Å; S95-T97 VanDerWaalsContact O-OG1 3.05Å; S95-T97 WeakPolarHBondContact OG-CB 3.46Å; S95-T97 PolarHBondContact OG-OG1 3.07Å
96	S	97.7	Very high	98	Very high	38 Å²	38	41.5 Å²	41.5	27%	0.266	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.1	-174.2	-61.1	0	0	0	0	113.8	T43 F48 D92	T43-S96 PolarHBondContact N-O 3.47Å; T43-S96 WeakPolarHBondContact O-CB 3.27Å; T43-S96 PolarHBondContact OG1-O 2.87Å; T43-S96 VanDerWaalsContact OG1-O 3.11Å; F48-S96 VanDerWaalsContact CD1-CA 3.47Å; D92-S96 PolarHBondContact O-N 2.91Å; D92-S96 VanDerWaalsContact O-N 3.13Å
97	T	98.5	Very high	97.9	Very high	9 Å²	9	44 Å²	44	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.3	-172.4	-54.7	0	0	0	0	111.5	C41 K42 F48 S91 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.48Å; K42-T97 HydrophobicContact CB-CG2 4.43Å; F48-T97 VanDerWaalsContact CZ-C 3.48Å; S91-T97 CarbonylContact C-O 3.46Å; S91-T97 WeakPolarHBondContact CA-O 3.39Å; D92-T97 PolarHBondContact N-O 2.89Å; D92-T97 PolarHBondContact O-N 2.89Å; S95-T97 VanDerWaalsContact C-N 3.25Å; S95-T97 PolarHBondContact O-N 3.34Å; S95-T97 PolarHBondContact O-OG1 2.82Å; S95-T97 VanDerWaalsContact O-OG1 3.05Å; S95-T97 WeakPolarHBondContact OG-CB 3.46Å; S95-T97 PolarHBondContact OG-OG1 3.07Å; T97-Y99 HydrophobicContact CG2-CD1 4.26Å; T97-Y99 HydrophobicContact CG2-CD2 4.42Å; T97-Y99 HydrophobicContact CG2-CE1 3.66Å; T97-Y99 HydrophobicContact CG2-CE2 3.82Å
98	A	98.6	Very high	97.6	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	150.3	167.5	0	0	0	0	0	110	S40 C41 F48 I53 W55 I72	S40-A98 CarbonylContact C-O 3.44Å; S40-A98 WeakPolarHBondContact CA-O 3.13Å; C41-A98 PolarHBondContact N-O 2.87Å; C41-A98 PolarHBondContact O-N 2.93Å; F48-A98 HydrophobicContact CE2-CB 4.49Å; F48-A98 HydrophobicContact CZ-CB 4.23Å; I53-A98 HydrophobicContact CB-CB 4.03Å; I53-A98 HydrophobicContact CG1-CB 3.87Å; I53-A98 HydrophobicContact CG2-CB 4.02Å; W55-A98 HydrophobicContact CZ2-CB 4.39Å; I72-A98 HydrophobicContact CD1-CB 4.46Å
99	Y	98.7	Very high	97.5	Very high	53 Å²	53	47.4 Å²	47.4	21%	0.208	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.2	178.5	-56.5	-86.8	0	0	0	111.2	K38 M39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.46Å; K38-Y99 VanDerWaalsContact CE-CD1 3.43Å; K38-Y99 HydrophobicContact CG-CD1 4.42Å; M39-Y99 VanDerWaalsContact O-CA 3.23Å; M39-Y99 WeakPolarHBondContact O-CA 3.32Å; L89-Y99 WeakPolarHBondContact CA-O 3.38Å; T90-Y99 PolarHBondContact N-O 2.86Å; T90-Y99 PolarHBondContact O-N 3.29Å; D92-Y99 HydrophobicContact CB-CE2 4.04Å; T97-Y99 HydrophobicContact CG2-CD1 4.26Å; T97-Y99 HydrophobicContact CG2-CD2 4.42Å; T97-Y99 HydrophobicContact CG2-CE1 3.66Å; T97-Y99 HydrophobicContact CG2-CE2 3.82Å
100	M	98.6	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.7	165.6	176.9	170.9	74.6	0	0	108.9	M39 W55 I67 T88 L89 L102 Y113	M39-M100 HydrophobicContact CE-CE 3.15Å; M39-M100 HydrophobicContact CE-CG 4.47Å; M39-M100 PolarHBondContact N-O 2.59Å; M39-M100 PolarHBondContact O-N 3.37Å; M39-M100 HydrophobicContact SD-CE 4.47Å; W55-M100 HydrophobicContact CB-CE 4.23Å; W55-M100 HydrophobicContact CB-SD 3.57Å; W55-M100 VanDerWaalsContact CB-SD 3.57Å; W55-M100 HydrophobicContact CD2-CB 3.55Å; W55-M100 HydrophobicContact CD2-CE 4.13Å; W55-M100 HydrophobicContact CD2-CG 4.35Å; W55-M100 HydrophobicContact CD2-SD 3.94Å; W55-M100 HydrophobicContact CE3-CB 3.82Å; W55-M100 HydrophobicContact CE3-CE 3.65Å; W55-M100 HydrophobicContact CE3-SD 4.1Å; W55-M100 HydrophobicContact CG-CB 4.04Å; W55-M100 HydrophobicContact CG-CE 4.4Å; W55-M100 HydrophobicContact CG-CG 4.46Å; W55-M100 HydrophobicContact CG-SD 3.74Å; W55-M100 HydrophobicContact CH2-CB 4.06Å; W55-M100 HydrophobicContact CZ2-CB 3.83Å; W55-M100 HydrophobicContact CZ3-CB 4.07Å; W55-M100 HydrophobicContact CZ3-CE 4.32Å; I67-M100 HydrophobicContact CB-SD 4.39Å; I67-M100 HydrophobicContact CD1-CE 3.55Å; I67-M100 HydrophobicContact CD1-SD 3.58Å; I67-M100 VanDerWaalsContact CD1-SD 3.58Å; I67-M100 HydrophobicContact CG2-SD 3.8Å; T88-M100 WeakPolarHBondContact O-CA 3.41Å; L89-M100 HydrophobicContact CD2-CB 3.76Å; L89-M100 HydrophobicContact CD2-CG 3.64Å; L89-M100 HydrophobicContact CD2-SD 3.97Å; M100-L102 HydrophobicContact CE-CD1 4.31Å; M100-L102 HydrophobicContact CE-CG 4.41Å; M100-L102 HydrophobicContact SD-CD2 4.47Å; M100-Y113 HydrophobicContact CE-CD1 3.58Å; M100-Y113 HydrophobicContact CE-CE1 4.2Å; M100-Y113 HydrophobicContact CE-CG 4.21Å
101	Q	98.6	Very high	97.3	Very high	78 Å²	78	50.1 Å²	50.1	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.4	169.6	-176.2	171.7	-10.9	0	0	109.5	V37 K38 A87 T88	V37-Q101 CarbonylContact O-C 3.52Å; V37-Q101 VanDerWaalsContact O-CA 3.27Å; V37-Q101 WeakPolarHBondContact O-CA 3.06Å; K38-Q101 HydrophobicContact CB-CB 4.43Å; K38-Q101 HydrophobicContact CB-CG 4.45Å; K38-Q101 HydrophobicContact CG-CB 4.44Å; A87-Q101 CarbonylContact C-O 3.56Å; A87-Q101 VanDerWaalsContact CA-O 3.3Å; A87-Q101 WeakPolarHBondContact CA-O 3.42Å; T88-Q101 PolarHBondContact N-O 2.9Å; T88-Q101 PolarHBondContact O-N 3.11Å
102	L	98.4	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.5	169.6	-66.5	171	0	0	0	108.5	S36 V37 M39 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.56Å; S36-L102 WeakPolarHBondContact CA-O 3.38Å; S36-L102 WeakPolarHBondContact CB-O 3.3Å; V37-L102 HydrophobicContact CG1-CB 4.07Å; V37-L102 PolarHBondContact N-O 3.35Å; V37-L102 PolarHBondContact O-N 3.31Å; M39-L102 HydrophobicContact CE-CD1 3.92Å; M39-L102 HydrophobicContact CE-CG 4.35Å; K86-L102 HydrophobicContact CG-CD2 4.49Å; K86-L102 WeakPolarHBondContact O-CA 3.08Å; A87-L102 HydrophobicContact CB-CD2 3.8Å; M100-L102 HydrophobicContact CE-CD1 4.31Å; M100-L102 HydrophobicContact CE-CG 4.41Å; M100-L102 HydrophobicContact SD-CD2 4.47Å; L102-L105 HydrophobicContact CB-CD2 3.72Å; L102-L105 HydrophobicContact CD1-CD2 4.36Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.47Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.47Å; L102-Y113 HydrophobicContact CD1-CE2 4.13Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.42Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.45Å
103	S	97.8	Very high	97.3	Very high	31 Å²	31	51 Å²	51	22%	0.217	31%	0.308	C	S	.	.			trans	-110.7	161.3	179.9	65.7	0	0	0	0	111.9	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.46Å; K86-S103 PolarHBondContact O-N 2.76Å; K86-S103 PolarHBondContact O-OG 2.96Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.63Å
104	S	97.2	Very high	97.4	Very high	80 Å²	80	50.7 Å²	50.7	56%	0.559	30%	0.3	S	S	*	.	S	Bend	trans	51.4	50.1	175.2	-52.3	0	0	0	0	112.8	S35	S35-S104 PolarHBondContact O-N 3.29Å
105	L	97.9	Very high	97.4	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.068	27%	0.268	C	S	.	.			trans	-62.9	140.3	-172	-68.4	168.1	0	0	0	112.5	V31 P33 G34 S35 V37 L102 S103 D109	V31-L105 HydrophobicContact CG2-CD1 3.33Å; P33-L105 CarbonylContact C-O 3.6Å; P33-L105 WeakPolarHBondContact CA-O 3.45Å; G34-L105 PolarHBondContact N-O 3.31Å; S35-L105 WeakPolarHBondContact O-CG 3.29Å; S35-L105 PolarHBondContact O-N 2.89Å; V37-L105 HydrophobicContact CB-CD1 3.97Å; V37-L105 HydrophobicContact CG1-CD1 3.8Å; V37-L105 HydrophobicContact CG1-CD2 4.35Å; L102-L105 HydrophobicContact CB-CD2 3.72Å; L102-L105 HydrophobicContact CD1-CD2 4.36Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.63Å; L105-D109 WeakPolarHBondContact CA-OD2 3.24Å; L105-D109 HydrophobicContact CD2-CB 3.71Å
106	T	96.7	Very high	97.4	Very high	63 Å²	63	46.4 Å²	46.4	39%	0.387	27%	0.272	S	S	.	.			trans	-119.6	172.8	173.3	70.7	0	0	0	0	110.1	E108 D109	T106-E108 PolarHBondContact O-N 3.29Å; T106-E108 VanDerWaalsContact O-N 3.15Å; T106-E108 PolarHBondContact OG1-N 3.48Å; T106-D109 PolarHBondContact N-OD2 2.93Å; T106-D109 WeakPolarHBondContact O-CB 3.39Å; T106-D109 PolarHBondContact O-N 2.86Å
107	S	94.7	Very high	97.1	Very high	101 Å²	101	49.9 Å²	49.9	71%	0.706	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.7	-24.4	174.1	51.9	0	0	0	0	113	D109 S110	S107-D109 PolarHBondContact O-N 2.88Å; S107-S110 WeakPolarHBondContact O-CB 3.07Å; S107-S110 PolarHBondContact O-N 2.85Å; S107-S110 PolarHBondContact O-OG 3.29Å
108	E	94	Very high	97	Very high	129 Å²	129	52 Å²	52	60%	0.603	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-71.6	-13.3	177	-59.7	-175.1	176.2	0	0	113.7	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.37Å; K57-E108 PolarHBondContact NZ-O 2.89Å; R59-E108 PolarHBondContact NE-O 3.47Å; R59-E108 PolarHBondContact NH2-O 3.02Å; T106-E108 PolarHBondContact O-N 3.29Å; T106-E108 VanDerWaalsContact O-N 3.15Å; T106-E108 PolarHBondContact OG1-N 3.48Å
109	D	96.2	Very high	96.9	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.064	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-88.1	-6.9	176.1	-58.7	-48.6	0	0	0	113.8	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.75Å; K57-D109 PolarHBondContact NZ-OD1 3.2Å; K86-D109 WeakPolarHBondContact CE-OD1 3.31Å; K86-D109 WeakPolarHBondContact CE-OD2 3.35Å; K86-D109 IonicContact NZ-OD1 2.59Å; K86-D109 PolarHBondContact NZ-OD1 3.07Å; K86-D109 IonicContact NZ-OD2 3.94Å; K86-D109 PolarHBondContact NZ-OD2 3.43Å; L105-D109 WeakPolarHBondContact CA-OD2 3.24Å; L105-D109 HydrophobicContact CD2-CB 3.71Å; T106-D109 PolarHBondContact N-OD2 2.93Å; T106-D109 WeakPolarHBondContact O-CB 3.39Å; T106-D109 PolarHBondContact O-N 2.86Å; S107-D109 PolarHBondContact O-N 2.88Å; D109-A111 PolarHBondContact O-N 3.04Å; D109-Y113 WeakPolarHBondContact O-CE2 3.31Å; D109-Y113 PolarHBondContact O-OH 3.38Å
110	S	96.1	Very high	96.8	Very high	92 Å²	92	54.8 Å²	54.8	64%	0.643	31%	0.311	S	S	*	.			trans	-64.5	102	170.3	-62.6	0	0	0	0	109.9	S107	S107-S110 WeakPolarHBondContact O-CB 3.07Å; S107-S110 PolarHBondContact O-N 2.85Å; S107-S110 PolarHBondContact O-OG 3.29Å
111	A	97.1	Very high	96.7	Very high	31 Å²	31	58 Å²	58	26%	0.256	33%	0.33	S	S	.	.	S	Bend	trans	-159.9	170.3	-172.8	0	0	0	0	0	110.6	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.19Å; K57-A111 HydrophobicContact CG-CB 3.59Å; Q58-A111 WeakPolarHBondContact O-CB 3.11Å; R59-A111 HydrophobicContact CG-CB 4.01Å; D109-A111 PolarHBondContact O-N 3.04Å; A111-Y113 HydrophobicContact CB-CD2 4.49Å; A111-Y113 HydrophobicContact CB-CE2 3.92Å
112	I	97.3	Very high	96.6	Very high	89 Å²	89	56.8 Å²	56.8	46%	0.456	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.6	164.9	-51.2	173.7	0	0	0	107.5	K57 Q58 F114	K57-I112 CarbonylContact C-O 3.55Å; Q58-I112 PolarHBondContact N-O 3.25Å; Q58-I112 PolarHBondContact O-N 3.35Å; I112-F114 HydrophobicContact CB-CE2 4.03Å; I112-F114 HydrophobicContact CB-CZ 4.07Å; I112-F114 HydrophobicContact CG2-CD1 4.39Å; I112-F114 HydrophobicContact CG2-CD2 4.3Å; I112-F114 HydrophobicContact CG2-CE1 3.69Å; I112-F114 HydrophobicContact CG2-CE2 3.59Å; I112-F114 HydrophobicContact CG2-CZ 3.25Å
113	Y	98.1	Very high	96.5	Very high	24 Å²	24	60.5 Å²	60.5	9%	0.094	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.2	178	-69.2	-87.9	0	0	0	109.2	Q25 M39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.39Å; M39-Y113 HydrophobicContact CE-CD1 4.17Å; M39-Y113 HydrophobicContact CE-CD2 4.24Å; M39-Y113 HydrophobicContact CE-CG 3.88Å; M39-Y113 HydrophobicContact SD-CD2 4.09Å; M39-Y113 HydrophobicContact SD-CG 3.92Å; V56-Y113 CarbonylContact O-C 3.54Å; V56-Y113 WeakPolarHBondContact O-CA 3.25Å; K57-Y113 HydrophobicContact CB-CD1 4.04Å; K57-Y113 HydrophobicContact CB-CE1 3.78Å; K57-Y113 HydrophobicContact CD-CE1 3.94Å; K57-Y113 WeakPolarHBondContact CE-OH 3.34Å; K57-Y113 HydrophobicContact CG-CD1 4.26Å; K57-Y113 HydrophobicContact CG-CE1 3.69Å; I67-Y113 HydrophobicContact CD1-CD1 3.68Å; I67-Y113 HydrophobicContact CD1-CE1 3.79Å; M100-Y113 HydrophobicContact CE-CD1 3.58Å; M100-Y113 HydrophobicContact CE-CE1 4.2Å; M100-Y113 HydrophobicContact CE-CG 4.21Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.47Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.47Å; L102-Y113 HydrophobicContact CD1-CE2 4.13Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.42Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.45Å; D109-Y113 WeakPolarHBondContact O-CE2 3.31Å; D109-Y113 PolarHBondContact O-OH 3.38Å; A111-Y113 HydrophobicContact CB-CD2 4.49Å; A111-Y113 HydrophobicContact CB-CE2 3.92Å
114	F	97.9	Very high	96.4	Very high	78 Å²	78	62.6 Å²	62.6	34%	0.342	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.1	-179.4	-59	-76.8	0	0	0	110.4	Q25 W55 V56 Q58 I112	Q25-F114 VanDerWaalsContact OE1-CA 3.31Å; W55-F114 WeakPolarHBondContact CA-O 3.45Å; V56-F114 PolarHBondContact N-O 2.84Å; V56-F114 PolarHBondContact O-N 2.8Å; Q58-F114 HydrophobicContact CB-CD2 4.35Å; Q58-F114 HydrophobicContact CB-CE2 3.79Å; Q58-F114 VanDerWaalsContact OE1-CE2 3.27Å; I112-F114 HydrophobicContact CB-CE2 4.03Å; I112-F114 HydrophobicContact CB-CZ 4.07Å; I112-F114 HydrophobicContact CG2-CD1 4.39Å; I112-F114 HydrophobicContact CG2-CD2 4.3Å; I112-F114 HydrophobicContact CG2-CE1 3.69Å; I112-F114 HydrophobicContact CG2-CE2 3.59Å; I112-F114 HydrophobicContact CG2-CZ 3.25Å
115	C	98.2	Very high	96.4	Very high	11 Å²	11	61.3 Å²	61.3	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.3	158	63.7	0	0	0	0	109.4	Q25 C41 I53 N54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.44Å; Q25-C115 PolarHBondContact OE1-SG 3.49Å; Q25-C115 VanDerWaalsContact OE1-SG 3.42Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.35Å; C41-C115 WeakPolarHBondContact SG-CB 3.34Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 2.97Å; I53-C115 HydrophobicContact CG2-CB 3.92Å; N54-C115 CarbonylContact O-C 3.56Å; N54-C115 VanDerWaalsContact O-CA 3.29Å; N54-C115 WeakPolarHBondContact O-CA 3.35Å; W55-C115 HydrophobicContact CD2-CB 4.26Å; W55-C115 HydrophobicContact CE3-CB 4.03Å; W55-C115 HydrophobicContact CH2-CB 4.03Å; W55-C115 HydrophobicContact CZ2-CB 4.22Å; W55-C115 HydrophobicContact CZ3-CB 3.91Å
116	A	96.9	Very high	96.2	Very high	42 Å²	42	65.3 Å²	65.3	35%	0.347	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.5	175.4	0	0	0	0	0	109.4	I53 N54	I53-A116 CarbonylContact C-O 3.51Å; I53-A116 WeakPolarHBondContact CA-O 3.32Å; N54-A116 HydrophobicContact CB-CB 4.42Å; N54-A116 PolarHBondContact N-O 3.39Å; N54-A116 PolarHBondContact O-N 3.12Å
117	R	91.5	Very high	96.2	Very high	112 Å²	112	65.5 Å²	65.5	42%	0.423	37%	0.365	S	S	.	.			trans	-97.4	0	171.5	-174.2	-169.1	72.3	178.5	0.3	109.5	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD2-CB 4.48Å; Y46-R117 VanDerWaalsContact CB-NH1 3.31Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.33Å; Y46-R117 HydrophobicContact CE2-CG 4.38Å; Y46-R117 WeakPolarHBondContact OH-CD 3.34Å; Y51-R117 HydrophobicContact CD1-CG 4.28Å; Y51-R117 HydrophobicContact CG-CG 3.93Å; I53-R117 HydrophobicContact CD1-CB 4.13Å; I53-R117 HydrophobicContact CD1-CG 4.35Å

Retrieved 117 of 117 residues in 91.6 ms (Link to these results)

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