A0A075B5W5_MOUSE Loading...

Immunoglobulin heavy variable V1-54

AlphaFold DB , UniProt , Accession A0A075B5W5, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-54, Length 117 aa.

						>A0A075B5W5_MOUSE|A0A075B5W5|Ighv1-54
MEWSRVFIFLLSVTAGVHSQVQLQQSGAELVRPGTSVKVSCKASGYAFTNYLIEWVKQRPGQGLEWIGVINPGSGGTNYNEKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49	Very low	61.8	Low	231 Å²	231	176.5 Å²	176.5	100%	1.138	85%	0.846	S	S	*	*				0	81.1	0	-88.7	157.4	53	0	0	107.2
2	E	54	Low	62.3	Low	183 Å²	183	170.3 Å²	170.3	86%	0.855	84%	0.835	S	S	*	*			trans	-135.1	98.8	178.4	-74.9	-74.7	141.6	0	0	104.8	S4	E2-S4 PolarHBondContact O-N 3.2Å
3	W	58	Low	63	Low	250 Å²	250	167.8 Å²	167.8	95%	0.947	84%	0.835	S	S	*	*			trans	-80.3	109.3	-177.3	-85	1.6	0	0	0	109.9	R5	W3-R5 PolarHBondContact O-N 3.43Å
4	S	58.7	Low	63.4	Low	116 Å²	116	164.8 Å²	164.8	81%	0.811	83%	0.831	S	S	*	*			trans	-56.8	116.4	169.5	-58.8	0	0	0	0	110.9	E2 V6	E2-S4 PolarHBondContact O-N 3.2Å; S4-V6 PolarHBondContact O-N 2.78Å
5	R	63.3	Low	63.9	Low	214 Å²	214	159.4 Å²	159.4	81%	0.808	82%	0.822	S	S	*	*			trans	-84.5	101.9	169.3	-73.4	-179.4	131.8	169.7	-3	109.3	W3 F7	W3-R5 PolarHBondContact O-N 3.43Å; R5-F7 HydrophobicContact CB-CE2 4.16Å; R5-F7 PolarHBondContact O-N 3.5Å
6	V	67.4	Low	63.9	Low	124 Å²	124	153.1 Å²	153.1	75%	0.752	81%	0.808	S	S	*	*			trans	-77.2	116.3	167.2	177.7	0	0	0	0	108	S4 I8	S4-V6 PolarHBondContact O-N 2.78Å; V6-I8 HydrophobicContact CG1-CG1 4.31Å
7	F	65.1	Low	64	Low	159 Å²	159	152.6 Å²	152.6	70%	0.697	81%	0.812	S	S	*	*			trans	-90.2	112.6	171.5	-73	-83.8	0	0	0	109.3	R5 F9	R5-F7 HydrophobicContact CB-CE2 4.16Å; R5-F7 PolarHBondContact O-N 3.5Å; F7-F9 HydrophobicContact CB-CE2 4.29Å
8	I	73.2	Confident	64.1	Low	145 Å²	145	154 Å²	154	74%	0.744	81%	0.813	S	S	*	*			trans	-89.9	116.1	171.5	-64	170.4	0	0	0	107.6	V6	V6-I8 HydrophobicContact CG1-CG1 4.31Å
9	F	60.9	Low	64.8	Low	187 Å²	187	150.5 Å²	150.5	82%	0.82	80%	0.802	S	S	*	*			trans	-89	114.6	169.9	-75.9	-86.8	0	0	0	109.4	F7	F7-F9 HydrophobicContact CB-CE2 4.29Å
10	L	65.7	Low	66.1	Low	160 Å²	160	150.8 Å²	150.8	84%	0.838	80%	0.799	S	S	*	*			trans	-88.3	114.5	169	-77.8	161.9	0	0	0	108.7	S12	L10-S12 PolarHBondContact O-N 2.87Å
11	L	64.5	Low	67.4	Low	172 Å²	172	147.2 Å²	147.2	90%	0.901	78%	0.783	S	S	*	*			trans	-78	102.6	169	-77	163.8	0	0	0	108.8	V13	L11-V13 PolarHBondContact O-N 3.32Å
12	S	68	Low	69.7	Low	102 Å²	102	140.3 Å²	140.3	71%	0.713	75%	0.747	S	S	*	*			trans	-82	109.5	169.5	55	0	0	0	0	109.8	L10 T14	L10-S12 PolarHBondContact O-N 2.87Å; S12-T14 PolarHBondContact O-N 3.36Å
13	V	71.8	Confident	71.7	Confident	138 Å²	138	134 Å²	134	84%	0.836	72%	0.719	S	S	*	*			trans	-75	106.8	166.8	179.7	0	0	0	0	107.7	L11 A15	L11-V13 PolarHBondContact O-N 3.32Å; V13-A15 PolarHBondContact O-N 3.02Å; V13-A15 VanDerWaalsContact O-N 3.16Å
14	T	68.8	Low	73.7	Confident	126 Å²	126	127.4 Å²	127.4	77%	0.773	70%	0.699	S	S	*	*			trans	-78.4	94.3	169.9	47.5	0	0	0	0	108.6	S12 G16	S12-T14 PolarHBondContact O-N 3.36Å; T14-G16 PolarHBondContact O-N 3.43Å; T14-G16 VanDerWaalsContact O-N 3.1Å
15	A	69.9	Low	75.5	Confident	84 Å²	84	124.2 Å²	124.2	69%	0.694	67%	0.671	S	S	*	*			trans	-66	109	163.2	0	0	0	0	0	107.6	V13 V17	V13-A15 PolarHBondContact O-N 3.02Å; V13-A15 VanDerWaalsContact O-N 3.16Å; A15-V17 PolarHBondContact O-N 2.81Å
16	G	63.9	Low	77.2	Confident	59 Å²	59	115.9 Å²	115.9	61%	0.608	65%	0.646	S	S	*	*			trans	-58.4	123	171.1	0	0	0	0	0	109.5	T14 H18	T14-G16 PolarHBondContact O-N 3.43Å; T14-G16 VanDerWaalsContact O-N 3.1Å; G16-H18 PolarHBondContact O-N 2.78Å
17	V	66.6	Low	78.6	Confident	144 Å²	144	113 Å²	113	87%	0.873	64%	0.641	S	S	*	*			trans	-78	91.6	177.4	-178.1	0	0	0	0	108.2	A15	A15-V17 PolarHBondContact O-N 2.81Å
18	H	64.6	Low	80.1	Confident	178 Å²	178	110.8 Å²	110.8	82%	0.824	65%	0.652	S	S	*	*			trans	-76.4	121.8	164.1	-72.5	-70.9	0	0	0	108.6	G16 Q20	G16-H18 PolarHBondContact O-N 2.78Å; H18-Q20 PolarHBondContact O-N 3Å
19	S	77.3	Confident	81.2	Confident	88 Å²	88	108.7 Å²	108.7	62%	0.615	64%	0.64	S	S	*	*			trans	-80.7	114.7	173.8	-148.9	0	0	0	0	109.3	G45	S19-G45 VanDerWaalsContact OG-CA 3.28Å; S19-G45 WeakPolarHBondContact OG-CA 3.5Å
20	Q	91.2	Very high	82.8	Confident	155 Å²	155	108.3 Å²	108.3	72%	0.724	65%	0.645	S	S	*	*			trans	-75.1	125.6	175.3	-175.4	179	18.3	0	0	109.5	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 3Å; Q20-Q22 PolarHBondContact O-N 3.2Å; Q20-G45 WeakPolarHBondContact O-CA 3.38Å
21	V	93.7	Very high	84.2	Confident	77 Å²	77	103.4 Å²	103.4	47%	0.467	62%	0.621	S	S	.	*			trans	-69.2	124.8	170.9	174.2	0	0	0	0	108.8	Y46	V21-Y46 HydrophobicContact CB-CD1 4.47Å; V21-Y46 HydrophobicContact CG1-CD1 3.79Å; V21-Y46 HydrophobicContact CG1-CE1 3.91Å; V21-Y46 HydrophobicContact CG2-CD1 4.25Å
22	Q	96.6	Very high	85.7	Confident	85 Å²	85	104.9 Å²	104.9	40%	0.397	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.5	141.1	178	-177.2	-179.1	-6	0	0	110.9	Q20 A43 S44	Q20-Q22 PolarHBondContact O-N 3.2Å; Q22-A43 WeakPolarHBondContact O-CA 3.47Å; Q22-S44 PolarHBondContact N-O 3.06Å; Q22-S44 PolarHBondContact O-N 3.41Å
23	L	97.7	Very high	87	Confident	50 Å²	50	105.2 Å²	105.2	26%	0.262	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	115.3	168.6	-64.7	-179.7	0	0	0	107.9	K42 A43 Y46 R117	L23-K42 WeakPolarHBondContact CA-O 3.5Å; L23-A43 HydrophobicContact CD2-CB 3.91Å; L23-Y46 HydrophobicContact CD2-CE1 4.25Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.42Å; L23-R117 HydrophobicContact CD1-CB 4.28Å
24	Q	98	Very high	88.2	Confident	112 Å²	112	101.2 Å²	101.2	52%	0.523	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	114.3	-179.8	-178.2	59.1	57.4	0	0	110	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.21Å; Q24-K42 PolarHBondContact N-O 2.78Å; Q24-K42 PolarHBondContact O-N 2.85Å
25	Q	98.4	Very high	89.6	Confident	49 Å²	49	98 Å²	98	23%	0.229	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	156.5	176.7	-72	-177.2	-115.7	0	0	112.9	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.52Å; Q25-S40 WeakPolarHBondContact CA-O 3.43Å; Q25-C41 HydrophobicContact CG-CB 4.24Å; Q25-Y113 PolarHBondContact NE2-O 3.22Å; Q25-Y113 PolarHBondContact OE1-O 3.19Å; Q25-C115 HydrophobicContact CG-CB 4.48Å; Q25-C115 WeakPolarHBondContact CG-SG 3.29Å
26	S	97.5	Very high	90.9	Very high	39 Å²	39	96.9 Å²	96.9	27%	0.273	57%	0.569	S	S	.	*			trans	-61.1	158.2	165.4	51	0	0	0	0	110.8	V39 S40	S26-V39 WeakPolarHBondContact OG-CA 3.32Å; S26-V39 WeakPolarHBondContact OG-CG1 3.13Å; S26-S40 WeakPolarHBondContact CB-OG 3.32Å; S26-S40 PolarHBondContact N-O 3.34Å; S26-S40 PolarHBondContact OG-N 2.82Å
27	G	96.8	Very high	92.5	Very high	64 Å²	64	94.9 Å²	94.9	66%	0.66	55%	0.545	S	S	*	.			trans	-67.2	176.6	-179.8	0	0	0	0	0	113.6
28	A	96.7	Very high	94	Very high	112 Å²	112	93 Å²	93	93%	0.926	53%	0.525	S	S	*	.			trans	-65.4	140.9	175.4	0	0	0	0	0	111.3
29	E	95.8	Very high	95.6	Very high	102 Å²	102	85.3 Å²	85.3	48%	0.477	49%	0.491	S	S	.	.			trans	-121.2	131	177.4	-68.3	-170.6	-140.9	0	0	110.5	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.16Å; E29-V37 HydrophobicContact CB-CG2 3.94Å; E29-V37 HydrophobicContact CG-CG2 4.12Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.39Å
30	L	95.8	Very high	96.6	Very high	179 Å²	179	82.6 Å²	82.6	94%	0.937	47%	0.472	S	S	*	.			trans	-99.1	116.8	168.7	-177.4	66.4	0	0	0	108.5
31	V	94.7	Very high	96.9	Very high	56 Å²	56	75.2 Å²	75.2	34%	0.339	44%	0.437	S	S	.	.			trans	-128.1	156.4	-172	-63.4	0	0	0	0	111	E29 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.16Å; V31-V37 HydrophobicContact CG1-CB 4.34Å; V31-V37 HydrophobicContact CG1-CG2 4.34Å; V31-L105 HydrophobicContact CB-CD1 4.36Å; V31-L105 HydrophobicContact CG2-CD1 3.46Å; V31-L105 VanDerWaalsContact CG2-CD1 3.46Å
32	R	95.4	Very high	97.2	Very high	203 Å²	203	77.3 Å²	77.3	77%	0.766	44%	0.44	S	S	*	.			trans	-86.7	149.4	179	-64.4	179.4	-175.6	173.3	1.3	110	G34 T35	R32-G34 PolarHBondContact O-N 2.92Å; R32-T35 HydrophobicContact CB-CG2 4.02Å; R32-T35 PolarHBondContact O-N 2.88Å; R32-T35 PolarHBondContact O-OG1 2.94Å
33	P	95.8	Very high	97.2	Very high	109 Å²	109	73.5 Å²	73.5	71%	0.708	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	142.6	169.8	-25.4	34.9	0	0	0	111.7	T35 L105	P33-T35 VanDerWaalsContact C-N 3.28Å; P33-T35 PolarHBondContact O-N 2.61Å; P33-L105 CarbonylContact C-O 3.54Å; P33-L105 WeakPolarHBondContact CA-O 3.48Å
34	G	97	Very high	97.2	Very high	55 Å²	55	73.7 Å²	73.7	57%	0.567	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-12.9	-176.8	0	0	0	0	0	115	R32 L105	R32-G34 PolarHBondContact O-N 2.92Å; G34-L105 PolarHBondContact N-O 2.95Å
35	T	97.5	Very high	97.1	Very high	57 Å²	57	69.7 Å²	69.7	35%	0.35	42%	0.418	S	S	.	.			trans	-84.6	176.5	177.1	72.4	0	0	0	0	112	R32 P33 S104 L105	R32-T35 HydrophobicContact CB-CG2 4.02Å; R32-T35 PolarHBondContact O-N 2.88Å; R32-T35 PolarHBondContact O-OG1 2.94Å; P33-T35 VanDerWaalsContact C-N 3.28Å; P33-T35 PolarHBondContact O-N 2.61Å; T35-S104 PolarHBondContact O-N 3.01Å; T35-L105 WeakPolarHBondContact O-CG 3.4Å; T35-L105 PolarHBondContact O-N 2.84Å
36	S	97.5	Very high	96.9	Very high	61 Å²	61	69.2 Å²	69.2	43%	0.427	41%	0.414	S	S	.	.			trans	-112.9	155.7	174	-53.8	0	0	0	0	110.7	L102 S103	S36-L102 CarbonylContact C-O 3.49Å; S36-L102 WeakPolarHBondContact CA-O 3.36Å; S36-L102 VanDerWaalsContact CB-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.44Å; S36-S103 WeakPolarHBondContact OG-CA 2.99Å
37	V	97.7	Very high	96.8	Very high	17 Å²	17	69.9 Å²	69.9	10%	0.103	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.9	175.1	67.2	0	0	0	0	109	E29 V31 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.94Å; E29-V37 HydrophobicContact CG-CG2 4.12Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.39Å; V31-V37 HydrophobicContact CG1-CB 4.34Å; V31-V37 HydrophobicContact CG1-CG2 4.34Å; V37-Q101 CarbonylContact O-C 3.59Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 2.96Å; V37-L102 HydrophobicContact CG1-CB 3.96Å; V37-L102 HydrophobicContact CG1-CD1 4.33Å; V37-L102 PolarHBondContact N-O 3.18Å; V37-L102 PolarHBondContact O-N 2.97Å; V37-L105 HydrophobicContact CB-CD1 3.94Å; V37-L105 HydrophobicContact CG1-CD1 3.69Å; V37-L105 HydrophobicContact CG1-CD2 4.46Å
38	K	97.9	Very high	96.8	Very high	105 Å²	105	67 Å²	67	46%	0.457	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	105.2	176.6	-173.4	176.9	-178.4	178.5	0	110.6	Y99 M100	K38-Y99 HydrophobicContact CD-CD1 4.36Å; K38-Y99 VanDerWaalsContact CE-CD1 3.45Å; K38-Y99 HydrophobicContact CG-CD1 4.3Å; K38-M100 WeakPolarHBondContact CA-O 3.06Å
39	V	98.1	Very high	96.9	Very high	16 Å²	16	64.3 Å²	64.3	10%	0.097	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.3	177.9	-173	0	0	0	0	109.3	S26 W55 Y99 M100	S26-V39 WeakPolarHBondContact OG-CA 3.32Å; S26-V39 WeakPolarHBondContact OG-CG1 3.13Å; V39-W55 HydrophobicContact CB-CH2 4.17Å; V39-W55 HydrophobicContact CB-CZ3 4.05Å; V39-W55 HydrophobicContact CG1-CH2 3.94Å; V39-W55 HydrophobicContact CG1-CZ3 3.71Å; V39-Y99 CarbonylContact O-C 3.45Å; V39-Y99 VanDerWaalsContact O-CA 3.25Å; V39-Y99 WeakPolarHBondContact O-CA 3.49Å; V39-M100 HydrophobicContact CB-CE 4.42Å; V39-M100 HydrophobicContact CG2-CE 4.21Å; V39-M100 PolarHBondContact N-O 3.03Å; V39-M100 PolarHBondContact O-N 2.89Å
40	S	98.5	Very high	96.9	Very high	31 Å²	31	65.2 Å²	65.2	22%	0.217	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	149.2	172.9	68.5	0	0	0	0	111.3	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.52Å; Q25-S40 WeakPolarHBondContact CA-O 3.43Å; S26-S40 WeakPolarHBondContact CB-OG 3.32Å; S26-S40 PolarHBondContact N-O 3.34Å; S26-S40 PolarHBondContact OG-N 2.82Å; S40-A98 CarbonylContact C-O 3.59Å
41	C	98.6	Very high	97	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	102	172.7	176.6	0	0	0	0	109.3	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.21Å; Q25-C41 HydrophobicContact CG-CB 4.24Å; C41-W55 HydrophobicContact CB-CH2 3.77Å; C41-W55 HydrophobicContact CB-CZ2 3.93Å; C41-T97 WeakPolarHBondContact O-CA 3.26Å; C41-A98 HydrophobicContact CB-CB 4.47Å; C41-A98 PolarHBondContact N-O 2.88Å; C41-A98 PolarHBondContact O-N 3.45Å; C41-C115 HydrophobicContact CB-CB 3.51Å; C41-C115 WeakPolarHBondContact CB-SG 3.29Å; C41-C115 WeakPolarHBondContact SG-CB 3.44Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.42Å
42	K	98.4	Very high	97.2	Very high	120 Å²	120	62.4 Å²	62.4	52%	0.522	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125	-178.9	-175.4	173.6	-176.8	177.5	0	110.5	L23 Q24 T97	L23-K42 WeakPolarHBondContact CA-O 3.5Å; Q24-K42 PolarHBondContact N-O 2.78Å; Q24-K42 PolarHBondContact O-N 2.85Å; K42-T97 HydrophobicContact CB-CG2 4.48Å
43	A	98.1	Very high	97.3	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.3	178.5	0	0	0	0	0	112.2	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.47Å; L23-A43 HydrophobicContact CD2-CB 3.91Å; A43-Y46 HydrophobicContact CB-CE1 3.71Å; A43-Y46 HydrophobicContact CB-CE2 4.41Å; A43-Y46 WeakPolarHBondContact CB-OH 3.5Å; A43-F48 HydrophobicContact CB-CB 4.4Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-F48 HydrophobicContact CB-CG 4.23Å; A43-S96 PolarHBondContact N-O 2.83Å; A43-S96 WeakPolarHBondContact O-CB 3.33Å
44	S	96.9	Very high	97.5	Very high	54 Å²	54	51.1 Å²	51.1	38%	0.378	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.4	168.5	57.9	0	0	0	0	111	Q22 Y46	Q22-S44 PolarHBondContact N-O 3.06Å; Q22-S44 PolarHBondContact O-N 3.41Å; S44-Y46 VanDerWaalsContact O-CD1 3.3Å; S44-Y46 WeakPolarHBondContact O-CD1 3.47Å
45	G	95.3	Very high	97.5	Very high	28 Å²	28	48.5 Å²	48.5	29%	0.289	27%	0.268	S	S	.	.	S	Bend	trans	84.6	7.4	178.2	0	0	0	0	0	116	S19 Q20	S19-G45 VanDerWaalsContact OG-CA 3.28Å; S19-G45 WeakPolarHBondContact OG-CA 3.5Å; Q20-G45 WeakPolarHBondContact O-CA 3.38Å
46	Y	94.1	Very high	97.6	Very high	39 Å²	39	47 Å²	47	15%	0.153	26%	0.258	C	S	.	.	S	Bend	trans	-159.2	166.6	175.6	66.4	-84.3	0	0	0	112.1	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CB-CD1 4.47Å; V21-Y46 HydrophobicContact CG1-CD1 3.79Å; V21-Y46 HydrophobicContact CG1-CE1 3.91Å; V21-Y46 HydrophobicContact CG2-CD1 4.25Å; L23-Y46 HydrophobicContact CD2-CE1 4.25Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.42Å; A43-Y46 HydrophobicContact CB-CE1 3.71Å; A43-Y46 HydrophobicContact CB-CE2 4.41Å; A43-Y46 WeakPolarHBondContact CB-OH 3.5Å; S44-Y46 VanDerWaalsContact O-CD1 3.3Å; S44-Y46 WeakPolarHBondContact O-CD1 3.47Å; Y46-F48 HydrophobicContact CE2-CD2 4.45Å; Y46-F48 PolarHBondContact O-N 2.88Å; Y46-Y51 AromaticContact CD2-CD2 3.41Å; Y46-Y51 HydrophobicContact CD2-CD2 3.41Å; Y46-Y51 VanDerWaalsContact CD2-CD2 3.41Å; Y46-Y51 AromaticContact CD2-CE2 3.86Å; Y46-Y51 HydrophobicContact CD2-CE2 3.86Å; Y46-Y51 HydrophobicContact CD2-CG 4.24Å; Y46-Y51 AromaticContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CG 4.24Å; Y46-Y51 HydrophobicContact CG-CD2 4.43Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.29Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.34Å; Y46-R117 HydrophobicContact CE2-CG 4.27Å
47	A	96	Very high	97.6	Very high	52 Å²	52	44.1 Å²	44.1	43%	0.43	24%	0.238	S	C	.	.			trans	-71	95.6	172.1	0	0	0	0	0	110.4	T49 N50	A47-T49 PolarHBondContact O-N 2.97Å; A47-T49 VanDerWaalsContact O-N 3.14Å; A47-N50 HydrophobicContact CB-CB 4.28Å; A47-N50 WeakPolarHBondContact O-CB 3.5Å; A47-N50 PolarHBondContact O-N 2.99Å
48	F	97.3	Very high	97.6	Very high	5 Å²	5	47 Å²	47	2%	0.022	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-49.5	-40.8	-174.6	175.4	-118	0	0	0	114	A43 Y46 N50 Y51 I53 P72 A91 A98	A43-F48 HydrophobicContact CB-CB 4.4Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-F48 HydrophobicContact CB-CG 4.23Å; Y46-F48 HydrophobicContact CE2-CD2 4.45Å; Y46-F48 PolarHBondContact O-N 2.88Å; F48-N50 PolarHBondContact O-N 3.24Å; F48-Y51 PolarHBondContact O-N 3.28Å; F48-I53 HydrophobicContact CD2-CD1 4.33Å; F48-I53 HydrophobicContact CE2-CD1 3.9Å; F48-I53 HydrophobicContact CE2-CG1 3.72Å; F48-I53 HydrophobicContact CZ-CG1 4.39Å; F48-P72 HydrophobicContact CD1-CB 3.82Å; F48-P72 HydrophobicContact CD1-CG 4.38Å; F48-P72 HydrophobicContact CD2-CG 4.32Å; F48-P72 HydrophobicContact CE1-CB 3.43Å; F48-P72 VanDerWaalsContact CE1-CB 3.43Å; F48-P72 HydrophobicContact CE1-CG 3.92Å; F48-P72 HydrophobicContact CE2-CB 4.28Å; F48-P72 HydrophobicContact CE2-CG 3.85Å; F48-P72 HydrophobicContact CG-CB 4.42Å; F48-P72 HydrophobicContact CZ-CB 3.68Å; F48-P72 HydrophobicContact CZ-CG 3.62Å; F48-A91 HydrophobicContact CE1-CB 4.16Å; F48-A91 HydrophobicContact CZ-CB 4.18Å; F48-A98 HydrophobicContact CE2-CB 4.38Å; F48-A98 HydrophobicContact CZ-CB 4.06Å
49	T	97.8	Very high	97.4	Very high	55 Å²	55	44.3 Å²	44.3	34%	0.337	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-68.1	-13.2	-178.9	53.1	0	0	0	0	114.8	A47 G73 K93	A47-T49 PolarHBondContact O-N 2.97Å; A47-T49 VanDerWaalsContact O-N 3.14Å; T49-G73 WeakPolarHBondContact O-CA 3.43Å; T49-G73 PolarHBondContact O-N 2.82Å; T49-K93 HydrophobicContact CG2-CB 4.35Å; T49-K93 HydrophobicContact CG2-CD 4.3Å; T49-K93 HydrophobicContact CG2-CG 4.1Å
50	N	97	Very high	97.2	Very high	121 Å²	121	49.1 Å²	49.1	65%	0.647	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-92.5	-2.5	-176.1	-66.2	2.4	0	0	0	113.4	A47 F48	A47-N50 HydrophobicContact CB-CB 4.28Å; A47-N50 WeakPolarHBondContact O-CB 3.5Å; A47-N50 PolarHBondContact O-N 2.99Å; F48-N50 PolarHBondContact O-N 3.24Å
51	Y	97.4	Very high	97	Very high	97 Å²	97	52 Å²	52	38%	0.38	30%	0.304	S	S	.	.	S	Bend	trans	-133.2	146.2	-175.6	-65.2	-89.8	0	0	0	111.8	Y46 F48 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.41Å; Y46-Y51 HydrophobicContact CD2-CD2 3.41Å; Y46-Y51 VanDerWaalsContact CD2-CD2 3.41Å; Y46-Y51 AromaticContact CD2-CE2 3.86Å; Y46-Y51 HydrophobicContact CD2-CE2 3.86Å; Y46-Y51 HydrophobicContact CD2-CG 4.24Å; Y46-Y51 AromaticContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CD2 3.8Å; Y46-Y51 HydrophobicContact CE2-CG 4.24Å; Y46-Y51 HydrophobicContact CG-CD2 4.43Å; F48-Y51 PolarHBondContact O-N 3.28Å; Y51-P72 WeakPolarHBondContact O-CD 3.29Å; Y51-P72 WeakPolarHBondContact O-CG 3.1Å; Y51-R117 VanDerWaalsContact CB-CD 3.45Å; Y51-R117 VanDerWaalsContact CB-CG 3.4Å; Y51-R117 HydrophobicContact CD1-CG 4.08Å; Y51-R117 VanDerWaalsContact CD1-CZ 3.47Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.87Å; Y51-R117 PolarHBondContact OH-NH2 3.38Å
52	L	98.4	Very high	96.7	Very high	79 Å²	79	57 Å²	57	41%	0.414	33%	0.328	S	S	.	.			trans	-71.2	149.5	171.9	-58	-176	0	0	0	110.1	V69 I70 N71	L52-V69 HydrophobicContact CB-CG2 3.64Å; L52-V69 HydrophobicContact CD1-CG2 4.08Å; L52-V69 HydrophobicContact CG-CG2 4.28Å; L52-I70 WeakPolarHBondContact CA-O 3.4Å; L52-N71 HydrophobicContact CD2-CB 3.48Å; L52-N71 VanDerWaalsContact CD2-CB 3.48Å
53	I	98.6	Very high	96.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.5	171.1	-54.5	-64.6	0	0	0	108.5	Y46 F48 V69 I70 P72 A98 C115 A116 R117	Y46-I53 WeakPolarHBondContact OH-CD1 3.29Å; F48-I53 HydrophobicContact CD2-CD1 4.33Å; F48-I53 HydrophobicContact CE2-CD1 3.9Å; F48-I53 HydrophobicContact CE2-CG1 3.72Å; F48-I53 HydrophobicContact CZ-CG1 4.39Å; I53-V69 WeakPolarHBondContact O-CA 3.41Å; I53-I70 HydrophobicContact CB-CG2 3.93Å; I53-I70 PolarHBondContact N-O 2.79Å; I53-I70 PolarHBondContact O-N 2.96Å; I53-P72 HydrophobicContact CG1-CG 3.86Å; I53-A98 HydrophobicContact CB-CB 4.18Å; I53-A98 HydrophobicContact CG1-CB 4.18Å; I53-A98 HydrophobicContact CG2-CB 3.86Å; I53-C115 HydrophobicContact CG2-CB 4.17Å; I53-A116 CarbonylContact C-O 3.57Å; I53-A116 WeakPolarHBondContact CA-O 3.42Å; I53-R117 HydrophobicContact CD1-CB 4.36Å; I53-R117 HydrophobicContact CD1-CG 4.37Å
54	E	98.6	Very high	96.4	Very high	75 Å²	75	59.6 Å²	59.6	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.8	176.9	-61.6	-153.3	-165.9	0	0	111.2	W66 V69 C115 A116	E54-W66 VanDerWaalsContact OE2-CD1 3.23Å; E54-W66 PolarHBondContact OE2-NE1 2.89Å; E54-V69 HydrophobicContact CG-CB 4.26Å; E54-V69 HydrophobicContact CG-CG2 3.95Å; E54-C115 CarbonylContact O-C 3.51Å; E54-C115 VanDerWaalsContact O-CA 3.25Å; E54-C115 WeakPolarHBondContact O-CA 3.34Å; E54-A116 HydrophobicContact CB-CB 4.46Å; E54-A116 PolarHBondContact N-O 3.21Å; E54-A116 PolarHBondContact O-N 3.29Å
55	W	98.7	Very high	96.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.5	173.9	-70	89.3	0	0	0	110	V39 C41 I67 G68 L89 A98 M100 F114 C115	V39-W55 HydrophobicContact CB-CH2 4.17Å; V39-W55 HydrophobicContact CB-CZ3 4.05Å; V39-W55 HydrophobicContact CG1-CH2 3.94Å; V39-W55 HydrophobicContact CG1-CZ3 3.71Å; C41-W55 HydrophobicContact CB-CH2 3.77Å; C41-W55 HydrophobicContact CB-CZ2 3.93Å; W55-I67 HydrophobicContact CB-CB 4.1Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 VanDerWaalsContact O-CB 3.31Å; W55-I67 WeakPolarHBondContact O-CB 3.42Å; W55-I67 PolarHBondContact O-N 2.78Å; W55-G68 PolarHBondContact N-O 3.02Å; W55-L89 HydrophobicContact CG-CD2 3.96Å; W55-A98 HydrophobicContact CZ2-CB 4.27Å; W55-M100 HydrophobicContact CB-SD 3.99Å; W55-M100 HydrophobicContact CD2-CB 3.59Å; W55-M100 HydrophobicContact CD2-CE 4.39Å; W55-M100 HydrophobicContact CD2-CG 4.32Å; W55-M100 HydrophobicContact CD2-SD 3.97Å; W55-M100 HydrophobicContact CE3-CB 3.75Å; W55-M100 HydrophobicContact CE3-CE 3.66Å; W55-M100 HydrophobicContact CE3-CG 4.42Å; W55-M100 HydrophobicContact CE3-SD 3.83Å; W55-M100 HydrophobicContact CG-CB 4.19Å; W55-M100 HydrophobicContact CG-SD 4.07Å; W55-M100 HydrophobicContact CH2-CB 3.89Å; W55-M100 HydrophobicContact CZ2-CB 3.76Å; W55-M100 HydrophobicContact CZ3-CB 3.9Å; W55-M100 HydrophobicContact CZ3-CE 3.99Å; W55-F114 WeakPolarHBondContact CA-O 3.42Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.2Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.35Å; W55-C115 HydrophobicContact CZ3-CB 4.12Å
56	V	98.3	Very high	96.6	Very high	24 Å²	24	60.8 Å²	60.8	15%	0.145	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.3	-174.9	-174.1	0	0	0	0	109.8	L64 Y113 F114	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.86Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.3Å; V56-F114 PolarHBondContact N-O 3.5Å; V56-F114 PolarHBondContact O-N 3.3Å
57	K	97.6	Very high	96.8	Very high	1 Å²	1	59 Å²	59	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.2	175.3	-174.6	179.5	-176.9	177.2	0	110.2	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.39Å; K57-E65 PolarHBondContact N-O 3.37Å; K57-E65 PolarHBondContact O-N 3.16Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.13Å; K57-F83 HydrophobicContact CB-CZ 4.45Å; K57-F83 HydrophobicContact CD-CE1 4.08Å; K57-F83 HydrophobicContact CD-CZ 3.83Å; K57-E108 PolarHBondContact NZ-O 2.97Å; K57-D109 IonicContact NZ-OD1 2.78Å; K57-D109 PolarHBondContact NZ-OD1 3.04Å; K57-A111 HydrophobicContact CD-CB 4.16Å; K57-A111 HydrophobicContact CG-CB 3.54Å; K57-Y113 HydrophobicContact CB-CD1 4.19Å; K57-Y113 HydrophobicContact CB-CE1 3.96Å; K57-Y113 HydrophobicContact CD-CE1 4.01Å; K57-Y113 WeakPolarHBondContact CE-OH 3.35Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.75Å
58	Q	97.3	Very high	96.9	Very high	77 Å²	77	56.5 Å²	56.5	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.5	170.1	-168.9	-178.1	30.6	0	0	110.1	L64 A111 V112 F114	Q58-L64 HydrophobicContact CB-CD2 3.86Å; Q58-L64 HydrophobicContact CG-CD2 4.02Å; Q58-A111 WeakPolarHBondContact O-CA 3.43Å; Q58-A111 VanDerWaalsContact O-CB 3.29Å; Q58-A111 WeakPolarHBondContact O-CB 3.2Å; Q58-V112 HydrophobicContact CB-CB 4.49Å; Q58-V112 PolarHBondContact N-O 3.01Å; Q58-V112 PolarHBondContact O-N 3.27Å; Q58-F114 HydrophobicContact CB-CD2 4.43Å; Q58-F114 HydrophobicContact CB-CE2 3.85Å
59	R	94.7	Very high	97	Very high	49 Å²	49	57.2 Å²	57.2	19%	0.185	33%	0.325	C	S	.	.			trans	-87.6	149.7	170.9	-60.5	-170.7	-167.8	79.6	-1.9	110.2	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 3.24Å; R59-Q62 HydrophobicContact CB-CB 4.03Å; R59-Q62 HydrophobicContact CB-CG 4.04Å; R59-Q62 VanDerWaalsContact NH1-OE1 3.09Å; R59-Q62 PolarHBondContact O-N 2.88Å; R59-E65 IonicContact CZ-OE2 3.34Å; R59-E65 IonicContact NH1-OE2 3.21Å; R59-E65 PolarHBondContact NH1-OE2 2.77Å; R59-E65 IonicContact NH2-OE2 3.57Å; R59-E65 PolarHBondContact NH2-OE2 2.85Å; R59-E108 PolarHBondContact NE-O 3.4Å; R59-A111 HydrophobicContact CG-CB 4.14Å
60	P	93.5	Very high	97	Very high	117 Å²	117	54.7 Å²	54.7	76%	0.76	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	126.6	172.3	-25	34.4	0	0	0	111.3	Q62	P60-Q62 PolarHBondContact O-N 2.89Å
61	G	94.2	Very high	97.1	Very high	93 Å²	93	51.4 Å²	51.4	96%	0.959	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	5.6	-179.9	0	0	0	0	0	115.8	R59	R59-G61 PolarHBondContact O-N 3.24Å
62	Q	93.3	Very high	97.1	Very high	106 Å²	106	46.9 Å²	46.9	50%	0.495	27%	0.274	S	S	.	.	S	Bend	trans	-115.7	162.9	175.5	-56.5	-173.6	7.1	0	0	111.6	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.03Å; R59-Q62 HydrophobicContact CB-CG 4.04Å; R59-Q62 VanDerWaalsContact NH1-OE1 3.09Å; R59-Q62 PolarHBondContact O-N 2.88Å; P60-Q62 PolarHBondContact O-N 2.89Å
63	G	92.8	Very high	97.1	Very high	58 Å²	58	44.3 Å²	44.3	60%	0.598	27%	0.267	S	S	*	.			trans	-67.5	175.8	172.9	0	0	0	0	0	113.3
64	L	96.6	Very high	97.1	Very high	121 Å²	121	48.5 Å²	48.5	63%	0.634	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	133.7	171.5	-66.1	173	0	0	0	110	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.86Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; Q58-L64 HydrophobicContact CB-CD2 3.86Å; Q58-L64 HydrophobicContact CG-CD2 4.02Å
65	E	97.5	Very high	97	Very high	27 Å²	27	47.1 Å²	47.1	13%	0.126	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.6	177.3	-173.1	170.9	-147.7	0	0	109.1	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.39Å; K57-E65 PolarHBondContact N-O 3.37Å; K57-E65 PolarHBondContact O-N 3.16Å; R59-E65 IonicContact CZ-OE2 3.34Å; R59-E65 IonicContact NH1-OE2 3.21Å; R59-E65 PolarHBondContact NH1-OE2 2.77Å; R59-E65 IonicContact NH2-OE2 3.57Å; R59-E65 PolarHBondContact NH2-OE2 2.85Å; E65-I67 PolarHBondContact O-N 3.24Å; E65-K82 WeakPolarHBondContact OE1-CD 3.42Å; E65-K82 IonicContact OE1-NZ 2.89Å; E65-K82 PolarHBondContact OE1-NZ 2.6Å; E65-F83 HydrophobicContact CG-CE2 3.83Å; E65-F83 HydrophobicContact CG-CZ 4.25Å
66	W	98.1	Very high	97	Very high	81 Å²	81	48.9 Å²	48.9	31%	0.307	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.9	178.6	-175.2	82.1	0	0	0	110.8	E54 G68 V69 N78 Y79 N80	E54-W66 VanDerWaalsContact OE2-CD1 3.23Å; E54-W66 PolarHBondContact OE2-NE1 2.89Å; W66-G68 VanDerWaalsContact CZ2-C 3.41Å; W66-G68 VanDerWaalsContact CZ2-CA 3.42Å; W66-V69 HydrophobicContact CH2-CG1 4.37Å; W66-V69 HydrophobicContact CZ2-CB 3.92Å; W66-V69 HydrophobicContact CZ2-CG1 3.79Å; W66-N78 HydrophobicContact CH2-CB 4.46Å; W66-Y79 VanDerWaalsContact CZ3-C 3.41Å; W66-N80 HydrophobicContact CE3-CB 3.77Å; W66-N80 HydrophobicContact CZ3-CB 4.06Å; W66-N80 WeakPolarHBondContact O-CB 3.16Å; W66-N80 PolarHBondContact O-ND2 2.94Å
67	I	98.5	Very high	97	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-48.6	-178.6	-60.1	174.6	0	0	0	110.1	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.1Å; W55-I67 HydrophobicContact CB-CD1 4.29Å; W55-I67 VanDerWaalsContact O-CB 3.31Å; W55-I67 WeakPolarHBondContact O-CB 3.42Å; W55-I67 PolarHBondContact O-N 2.78Å; K57-I67 HydrophobicContact CB-CD1 4.01Å; K57-I67 HydrophobicContact CB-CG1 4.13Å; E65-I67 PolarHBondContact O-N 3.24Å; I67-N80 PolarHBondContact O-N 3.28Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.37Å; I67-F83 HydrophobicContact CB-CG 4.25Å; I67-F83 HydrophobicContact CD1-CE1 4.44Å; I67-F83 HydrophobicContact CG1-CD1 4.15Å; I67-F83 HydrophobicContact CG1-CD2 4.32Å; I67-F83 HydrophobicContact CG1-CE1 3.99Å; I67-F83 HydrophobicContact CG1-CE2 4.16Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 3.99Å; I67-F83 HydrophobicContact CG2-CB 3.85Å; I67-F83 HydrophobicContact CG2-CD1 3.91Å; I67-F83 HydrophobicContact CG2-CD2 4.36Å; I67-F83 HydrophobicContact CG2-CG 3.77Å; I67-A87 HydrophobicContact CG2-CB 3.8Å; I67-M100 HydrophobicContact CD1-CE 4.24Å; I67-M100 HydrophobicContact CD1-SD 3.57Å; I67-M100 VanDerWaalsContact CD1-SD 3.57Å; I67-M100 HydrophobicContact CG2-SD 4.1Å; I67-Y113 HydrophobicContact CD1-CD1 3.59Å; I67-Y113 HydrophobicContact CD1-CE1 3.68Å
68	G	98.6	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	177.2	-171.5	0	0	0	0	0	112.5	W55 W66 N78	W55-G68 PolarHBondContact N-O 3.02Å; W66-G68 VanDerWaalsContact CZ2-C 3.41Å; W66-G68 VanDerWaalsContact CZ2-CA 3.42Å; G68-N78 CarbonylContact C-O 3.6Å; G68-N78 WeakPolarHBondContact CA-O 3.31Å
69	V	98.8	Very high	97.1	Very high	20 Å²	20	54 Å²	54	12%	0.121	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.7	179.3	62.9	0	0	0	0	109.8	L52 I53 E54 W66 T77 N78	L52-V69 HydrophobicContact CB-CG2 3.64Å; L52-V69 HydrophobicContact CD1-CG2 4.08Å; L52-V69 HydrophobicContact CG-CG2 4.28Å; I53-V69 WeakPolarHBondContact O-CA 3.41Å; E54-V69 HydrophobicContact CG-CB 4.26Å; E54-V69 HydrophobicContact CG-CG2 3.95Å; W66-V69 HydrophobicContact CH2-CG1 4.37Å; W66-V69 HydrophobicContact CZ2-CB 3.92Å; W66-V69 HydrophobicContact CZ2-CG1 3.79Å; V69-T77 CarbonylContact O-C 3.56Å; V69-T77 VanDerWaalsContact O-CA 3.28Å; V69-T77 WeakPolarHBondContact O-CA 3.46Å; V69-N78 HydrophobicContact CG1-CB 3.88Å; V69-N78 PolarHBondContact N-O 2.89Å; V69-N78 PolarHBondContact O-N 2.76Å
70	I	98.8	Very high	97.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138	168.3	-176	163.5	0	0	0	110.1	L52 I53 P72 G76 T77 L89 T90 A91 A98	L52-I70 WeakPolarHBondContact CA-O 3.4Å; I53-I70 HydrophobicContact CB-CG2 3.93Å; I53-I70 PolarHBondContact N-O 2.79Å; I53-I70 PolarHBondContact O-N 2.96Å; I70-P72 WeakPolarHBondContact O-CD 3.25Å; I70-G76 WeakPolarHBondContact CA-O 3.2Å; I70-T77 HydrophobicContact CB-CG2 4.14Å; I70-T77 HydrophobicContact CD1-CG2 4.04Å; I70-T77 HydrophobicContact CG1-CG2 3.94Å; I70-L89 HydrophobicContact CB-CB 4.08Å; I70-L89 HydrophobicContact CB-CD1 4.48Å; I70-L89 HydrophobicContact CD1-CB 4.35Å; I70-T90 VanDerWaalsContact CD1-CA 3.42Å; I70-A91 HydrophobicContact CD1-CB 3.78Å; I70-A91 HydrophobicContact CG1-CB 4.44Å; I70-A98 HydrophobicContact CG2-CB 4.43Å
71	N	98.6	Very high	97.5	Very high	53 Å²	53	54.4 Å²	54.4	28%	0.283	34%	0.344	S	S	.	.			trans	-91.5	106.4	165	-176.9	-34.8	0	0	0	108.3	L52 G73 S74 G75 G76	L52-N71 HydrophobicContact CD2-CB 3.48Å; L52-N71 VanDerWaalsContact CD2-CB 3.48Å; N71-G73 PolarHBondContact O-N 2.82Å; N71-G73 WeakPolarHBondContact OD1-CA 3.47Å; N71-G73 PolarHBondContact OD1-N 2.84Å; N71-S74 WeakPolarHBondContact CB-OG 3.42Å; N71-S74 VanDerWaalsContact CG-OG 3.28Å; N71-S74 PolarHBondContact O-N 2.83Å; N71-S74 PolarHBondContact OD1-N 3.47Å; N71-S74 VanDerWaalsContact OD1-N 3.09Å; N71-G75 VanDerWaalsContact O-CA 3.26Å; N71-G75 WeakPolarHBondContact O-CA 3.39Å; N71-G75 PolarHBondContact O-N 2.79Å; N71-G76 PolarHBondContact N-O 3.21Å
72	P	98.5	Very high	97.5	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.3	-179.6	-18.9	33.2	0	0	0	113.2	F48 Y51 I53 I70 A91 K93	F48-P72 HydrophobicContact CD1-CB 3.82Å; F48-P72 HydrophobicContact CD1-CG 4.38Å; F48-P72 HydrophobicContact CD2-CG 4.32Å; F48-P72 HydrophobicContact CE1-CB 3.43Å; F48-P72 VanDerWaalsContact CE1-CB 3.43Å; F48-P72 HydrophobicContact CE1-CG 3.92Å; F48-P72 HydrophobicContact CE2-CB 4.28Å; F48-P72 HydrophobicContact CE2-CG 3.85Å; F48-P72 HydrophobicContact CG-CB 4.42Å; F48-P72 HydrophobicContact CZ-CB 3.68Å; F48-P72 HydrophobicContact CZ-CG 3.62Å; Y51-P72 WeakPolarHBondContact O-CD 3.29Å; Y51-P72 WeakPolarHBondContact O-CG 3.1Å; I53-P72 HydrophobicContact CG1-CG 3.86Å; I70-P72 WeakPolarHBondContact O-CD 3.25Å; P72-A91 HydrophobicContact CB-CB 3.93Å; P72-A91 HydrophobicContact CG-CB 4.46Å; P72-K93 WeakPolarHBondContact O-CE 3.46Å
73	G	97.9	Very high	97.7	Very high	26 Å²	26	52.3 Å²	52.3	27%	0.268	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-51.1	177.1	0	0	0	0	0	112.7	T49 N71 K93	T49-G73 WeakPolarHBondContact O-CA 3.43Å; T49-G73 PolarHBondContact O-N 2.82Å; N71-G73 PolarHBondContact O-N 2.82Å; N71-G73 WeakPolarHBondContact OD1-CA 3.47Å; N71-G73 PolarHBondContact OD1-N 2.84Å; G73-K93 WeakPolarHBondContact O-CE 3.18Å; G73-K93 PolarHBondContact O-NZ 2.83Å
74	S	97.8	Very high	97.9	Very high	88 Å²	88	55.5 Å²	55.5	62%	0.615	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-20.2	-177.6	65.8	0	0	0	0	114.6	N71 G76	N71-S74 WeakPolarHBondContact CB-OG 3.42Å; N71-S74 VanDerWaalsContact CG-OG 3.28Å; N71-S74 PolarHBondContact O-N 2.83Å; N71-S74 PolarHBondContact OD1-N 3.47Å; N71-S74 VanDerWaalsContact OD1-N 3.09Å; S74-G76 PolarHBondContact OG-N 3.05Å
75	G	97.8	Very high	97.8	Very high	45 Å²	45	53.5 Å²	53.5	46%	0.464	31%	0.313	S	S	.	.			trans	78.5	0.4	-168.5	0	0	0	0	0	114	N71	N71-G75 VanDerWaalsContact O-CA 3.26Å; N71-G75 WeakPolarHBondContact O-CA 3.39Å; N71-G75 PolarHBondContact O-N 2.79Å
76	G	98.4	Very high	97.8	Very high	38 Å²	38	54.4 Å²	54.4	39%	0.392	32%	0.316	S	S	.	.			trans	-66.3	139.2	179.1	0	0	0	0	0	112.2	I70 N71 S74	I70-G76 WeakPolarHBondContact CA-O 3.2Å; N71-G76 PolarHBondContact N-O 3.21Å; S74-G76 PolarHBondContact OG-N 3.05Å
77	T	98.7	Very high	97.8	Very high	61 Å²	61	50.7 Å²	50.7	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	-179.2	57.5	0	0	0	0	111.4	V69 I70 Y79 L89	V69-T77 CarbonylContact O-C 3.56Å; V69-T77 VanDerWaalsContact O-CA 3.28Å; V69-T77 WeakPolarHBondContact O-CA 3.46Å; I70-T77 HydrophobicContact CB-CG2 4.14Å; I70-T77 HydrophobicContact CD1-CG2 4.04Å; I70-T77 HydrophobicContact CG1-CG2 3.94Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.42Å; T77-L89 HydrophobicContact CG2-CB 3.96Å
78	N	98.4	Very high	97.8	Very high	100 Å²	100	53.9 Å²	53.9	54%	0.535	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150	166.8	-168.4	13.3	0	0	0	109.6	W66 G68 V69	W66-N78 HydrophobicContact CH2-CB 4.46Å; G68-N78 CarbonylContact C-O 3.6Å; G68-N78 WeakPolarHBondContact CA-O 3.31Å; V69-N78 HydrophobicContact CG1-CB 3.88Å; V69-N78 PolarHBondContact N-O 2.89Å; V69-N78 PolarHBondContact O-N 2.76Å
79	Y	98.6	Very high	97.8	Very high	48 Å²	48	54.2 Å²	54.2	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.6	-172	-63.4	-92.8	0	0	0	111.1	W66 T77 A87 L89	W66-Y79 VanDerWaalsContact CZ3-C 3.41Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.42Å; Y79-A87 HydrophobicContact CD1-CB 4.35Å; Y79-A87 HydrophobicContact CE1-CB 4.16Å; Y79-A87 WeakPolarHBondContact CE1-O 3.4Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 3.15Å
80	N	97.7	Very high	97.8	Very high	44 Å²	44	56.1 Å²	56.1	24%	0.235	34%	0.336	C	S	.	.			trans	-68.9	136.2	157	-177.3	-32.4	0	0	0	108.5	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.77Å; W66-N80 HydrophobicContact CZ3-CB 4.06Å; W66-N80 WeakPolarHBondContact O-CB 3.16Å; W66-N80 PolarHBondContact O-ND2 2.94Å; I67-N80 PolarHBondContact O-N 3.28Å; N80-K82 PolarHBondContact O-N 2.91Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 2.88Å; N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 PolarHBondContact O-N 3.03Å; N80-K84 PolarHBondContact O-N 2.66Å; N80-K84 VanDerWaalsContact O-N 3.16Å
81	E	97.4	Very high	97.8	Very high	131 Å²	131	57.7 Å²	57.7	61%	0.612	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.4	-32	-179.1	-70	-61.7	143.6	0	0	112.9	F83 K84	E81-F83 PolarHBondContact O-N 3.09Å; E81-K84 WeakPolarHBondContact O-CB 3.45Å; E81-K84 PolarHBondContact O-N 2.89Å; E81-K84 IonicContact OE1-NZ 2.89Å; E81-K84 PolarHBondContact OE1-NZ 3.44Å; E81-K84 WeakPolarHBondContact OE2-CD 3.46Å; E81-K84 IonicContact OE2-NZ 3.41Å; E81-K84 PolarHBondContact OE2-NZ 2.81Å
82	K	95.5	Very high	97.8	Very high	150 Å²	150	57.9 Å²	57.9	65%	0.652	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-63.8	-25.9	175.4	-69.7	-179.2	-179.9	-178.1	0	114.6	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.42Å; E65-K82 IonicContact OE1-NZ 2.89Å; E65-K82 PolarHBondContact OE1-NZ 2.6Å; N80-K82 PolarHBondContact O-N 2.91Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 2.88Å
83	F	97.2	Very high	97.8	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.022	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-106.2	-5.5	-177.3	-67	-88.5	0	0	0	112.7	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.45Å; K57-F83 HydrophobicContact CD-CE1 4.08Å; K57-F83 HydrophobicContact CD-CZ 3.83Å; E65-F83 HydrophobicContact CG-CE2 3.83Å; E65-F83 HydrophobicContact CG-CZ 4.25Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.37Å; I67-F83 HydrophobicContact CB-CG 4.25Å; I67-F83 HydrophobicContact CD1-CE1 4.44Å; I67-F83 HydrophobicContact CG1-CD1 4.15Å; I67-F83 HydrophobicContact CG1-CD2 4.32Å; I67-F83 HydrophobicContact CG1-CE1 3.99Å; I67-F83 HydrophobicContact CG1-CE2 4.16Å; I67-F83 HydrophobicContact CG1-CG 4.31Å; I67-F83 HydrophobicContact CG1-CZ 3.99Å; I67-F83 HydrophobicContact CG2-CB 3.85Å; I67-F83 HydrophobicContact CG2-CD1 3.91Å; I67-F83 HydrophobicContact CG2-CD2 4.36Å; I67-F83 HydrophobicContact CG2-CG 3.77Å; N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 PolarHBondContact O-N 3.03Å; E81-F83 PolarHBondContact O-N 3.09Å; F83-G85 PolarHBondContact O-N 2.87Å; F83-K86 PolarHBondContact O-N 3.49Å; F83-A87 HydrophobicContact CB-CB 4.13Å; F83-A87 PolarHBondContact O-N 3.04Å
84	K	95.9	Very high	97.7	Very high	125 Å²	125	67.5 Å²	67.5	54%	0.543	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-61	125.1	174.9	-161.7	174.3	-170.5	171.8	0	109.6	N80 E81 K86	N80-K84 PolarHBondContact O-N 2.66Å; N80-K84 VanDerWaalsContact O-N 3.16Å; E81-K84 WeakPolarHBondContact O-CB 3.45Å; E81-K84 PolarHBondContact O-N 2.89Å; E81-K84 IonicContact OE1-NZ 2.89Å; E81-K84 PolarHBondContact OE1-NZ 3.44Å; E81-K84 WeakPolarHBondContact OE2-CD 3.46Å; E81-K84 IonicContact OE2-NZ 3.41Å; E81-K84 PolarHBondContact OE2-NZ 2.81Å; K84-K86 PolarHBondContact O-N 2.89Å
85	G	95.5	Very high	97.7	Very high	79 Å²	79	65.1 Å²	65.1	81%	0.814	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-16.2	-174.2	0	0	0	0	0	115.1	F83	F83-G85 PolarHBondContact O-N 2.87Å
86	K	97.2	Very high	97.8	Very high	46 Å²	46	64.6 Å²	64.6	20%	0.2	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-43	174.2	-170.1	166.5	-168.1	167.9	0	112.5	F83 K84 L102 S103 D109	F83-K86 PolarHBondContact O-N 3.49Å; K84-K86 PolarHBondContact O-N 2.89Å; K86-L102 WeakPolarHBondContact O-CA 3.35Å; K86-S103 PolarHBondContact O-N 2.85Å; K86-D109 WeakPolarHBondContact CE-OD1 3.47Å; K86-D109 WeakPolarHBondContact CE-OD2 3.31Å; K86-D109 IonicContact NZ-OD1 2.88Å; K86-D109 PolarHBondContact NZ-OD1 2.91Å; K86-D109 IonicContact NZ-OD2 2.61Å; K86-D109 PolarHBondContact NZ-OD2 3.32Å
87	A	98.3	Very high	97.8	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.025	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.1	176.9	0	0	0	0	0	111.1	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.8Å; Y79-A87 HydrophobicContact CD1-CB 4.35Å; Y79-A87 HydrophobicContact CE1-CB 4.16Å; Y79-A87 WeakPolarHBondContact CE1-O 3.4Å; F83-A87 HydrophobicContact CB-CB 4.13Å; F83-A87 PolarHBondContact O-N 3.04Å; A87-Q101 CarbonylContact C-O 3.53Å; A87-Q101 VanDerWaalsContact CA-O 3.32Å; A87-Q101 WeakPolarHBondContact CA-O 2.93Å; A87-L102 HydrophobicContact CB-CD2 3.77Å
88	T	98.6	Very high	97.8	Very high	66 Å²	66	60.3 Å²	60.3	41%	0.405	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.6	168.4	-60.6	0	0	0	0	108.4	T90 Q101	T88-T90 HydrophobicContact CG2-CG2 4.33Å; T88-Q101 PolarHBondContact N-O 3.44Å; T88-Q101 PolarHBondContact O-N 2.81Å
89	L	98.8	Very high	97.8	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.2	179.1	-52.6	-177.1	0	0	0	110	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 3.96Å; I70-L89 HydrophobicContact CB-CB 4.08Å; I70-L89 HydrophobicContact CB-CD1 4.48Å; I70-L89 HydrophobicContact CD1-CB 4.35Å; T77-L89 HydrophobicContact CG2-CB 3.96Å; Y79-L89 HydrophobicContact CE1-CD1 4.09Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 3.15Å; L89-Y99 WeakPolarHBondContact CA-O 3.47Å; L89-M100 HydrophobicContact CD2-CB 3.73Å; L89-M100 HydrophobicContact CD2-CG 3.68Å; L89-M100 HydrophobicContact CD2-SD 4.41Å
90	T	98.6	Very high	97.8	Very high	60 Å²	60	55.9 Å²	55.9	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.8	176.1	56.9	0	0	0	0	110.5	I70 T88 A98 Y99	I70-T90 VanDerWaalsContact CD1-CA 3.42Å; T88-T90 HydrophobicContact CG2-CG2 4.33Å; T90-A98 CarbonylContact O-C 3.54Å; T90-A98 WeakPolarHBondContact O-CA 3Å; T90-Y99 PolarHBondContact N-O 2.88Å; T90-Y99 PolarHBondContact O-N 2.94Å
91	A	98.6	Very high	97.8	Very high	35 Å²	35	57.5 Å²	57.5	29%	0.289	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	134.8	177.1	0	0	0	0	0	110.3	F48 I70 P72 T97	F48-A91 HydrophobicContact CE1-CB 4.16Å; F48-A91 HydrophobicContact CZ-CB 4.18Å; I70-A91 HydrophobicContact CD1-CB 3.78Å; I70-A91 HydrophobicContact CG1-CB 4.44Å; P72-A91 HydrophobicContact CB-CB 3.93Å; P72-A91 HydrophobicContact CG-CB 4.46Å; A91-T97 WeakPolarHBondContact CA-O 3Å
92	D	98.3	Very high	97.9	Very high	56 Å²	56	51.3 Å²	51.3	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.2	168.2	175.4	10.2	0	0	0	108.9	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 2.02Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 2.8Å; D92-S94 PolarHBondContact OD1-OG 3.19Å; D92-S94 PolarHBondContact OD2-OG 2.9Å; D92-S95 WeakPolarHBondContact CB-OG 3.25Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.42Å; D92-S95 PolarHBondContact OD2-OG 2.95Å; D92-S96 PolarHBondContact O-N 2.77Å; D92-S96 VanDerWaalsContact O-N 3.15Å; D92-T97 PolarHBondContact N-O 2.92Å; D92-T97 PolarHBondContact O-N 2.96Å; D92-Y99 HydrophobicContact CB-CE2 4.07Å
93	K	97.7	Very high	98	Very high	120 Å²	120	45.6 Å²	45.6	52%	0.522	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.7	179.9	-59.7	178.9	177.8	-180	0	112	T49 P72 G73	T49-K93 HydrophobicContact CG2-CB 4.35Å; T49-K93 HydrophobicContact CG2-CD 4.3Å; T49-K93 HydrophobicContact CG2-CG 4.1Å; P72-K93 WeakPolarHBondContact O-CE 3.46Å; G73-K93 WeakPolarHBondContact O-CE 3.18Å; G73-K93 PolarHBondContact O-NZ 2.83Å
94	S	97.4	Very high	98	Very high	109 Å²	109	49.3 Å²	49.3	76%	0.762	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-37.8	-173.5	71.1	0	0	0	0	112.1	D92	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 2.02Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 2.8Å; D92-S94 PolarHBondContact OD1-OG 3.19Å; D92-S94 PolarHBondContact OD2-OG 2.9Å
95	S	97.9	Very high	98	Very high	38 Å²	38	43.9 Å²	43.9	27%	0.266	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.7	178.2	65.4	0	0	0	0	113.6	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.25Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.42Å; D92-S95 PolarHBondContact OD2-OG 2.95Å; S95-T97 PolarHBondContact O-N 2.85Å; S95-T97 PolarHBondContact O-OG1 3.27Å; S95-T97 WeakPolarHBondContact OG-CB 3.28Å; S95-T97 PolarHBondContact OG-OG1 2.88Å
96	S	98.3	Very high	98.1	Very high	35 Å²	35	43.1 Å²	43.1	25%	0.245	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	42.8	-172.6	-63.3	0	0	0	0	112.7	A43 D92	A43-S96 PolarHBondContact N-O 2.83Å; A43-S96 WeakPolarHBondContact O-CB 3.33Å; D92-S96 PolarHBondContact O-N 2.77Å; D92-S96 VanDerWaalsContact O-N 3.15Å
97	T	98.7	Very high	97.9	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.5	-173.5	-55	0	0	0	0	111.2	C41 K42 A91 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.26Å; K42-T97 HydrophobicContact CB-CG2 4.48Å; A91-T97 WeakPolarHBondContact CA-O 3Å; D92-T97 PolarHBondContact N-O 2.92Å; D92-T97 PolarHBondContact O-N 2.96Å; S95-T97 PolarHBondContact O-N 2.85Å; S95-T97 PolarHBondContact O-OG1 3.27Å; S95-T97 WeakPolarHBondContact OG-CB 3.28Å; S95-T97 PolarHBondContact OG-OG1 2.88Å; T97-Y99 HydrophobicContact CG2-CD1 4.27Å; T97-Y99 HydrophobicContact CG2-CD2 4.32Å; T97-Y99 HydrophobicContact CG2-CE1 3.69Å; T97-Y99 HydrophobicContact CG2-CE2 3.72Å
98	A	98.8	Very high	97.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.3	166.1	0	0	0	0	0	109.7	S40 C41 F48 I53 W55 I70 T90	S40-A98 CarbonylContact C-O 3.59Å; C41-A98 HydrophobicContact CB-CB 4.47Å; C41-A98 PolarHBondContact N-O 2.88Å; C41-A98 PolarHBondContact O-N 3.45Å; F48-A98 HydrophobicContact CE2-CB 4.38Å; F48-A98 HydrophobicContact CZ-CB 4.06Å; I53-A98 HydrophobicContact CB-CB 4.18Å; I53-A98 HydrophobicContact CG1-CB 4.18Å; I53-A98 HydrophobicContact CG2-CB 3.86Å; W55-A98 HydrophobicContact CZ2-CB 4.27Å; I70-A98 HydrophobicContact CG2-CB 4.43Å; T90-A98 CarbonylContact O-C 3.54Å; T90-A98 WeakPolarHBondContact O-CA 3Å
99	Y	98.7	Very high	97.5	Very high	56 Å²	56	49.6 Å²	49.6	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.2	175.7	-56.1	-90.4	0	0	0	110.7	K38 V39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.36Å; K38-Y99 VanDerWaalsContact CE-CD1 3.45Å; K38-Y99 HydrophobicContact CG-CD1 4.3Å; V39-Y99 CarbonylContact O-C 3.45Å; V39-Y99 VanDerWaalsContact O-CA 3.25Å; V39-Y99 WeakPolarHBondContact O-CA 3.49Å; L89-Y99 WeakPolarHBondContact CA-O 3.47Å; T90-Y99 PolarHBondContact N-O 2.88Å; T90-Y99 PolarHBondContact O-N 2.94Å; D92-Y99 HydrophobicContact CB-CE2 4.07Å; T97-Y99 HydrophobicContact CG2-CD1 4.27Å; T97-Y99 HydrophobicContact CG2-CD2 4.32Å; T97-Y99 HydrophobicContact CG2-CE1 3.69Å; T97-Y99 HydrophobicContact CG2-CE2 3.72Å
100	M	98.6	Very high	97.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.3	166.1	175.1	-177.2	68.2	0	0	108.4	K38 V39 W55 I67 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.06Å; V39-M100 HydrophobicContact CB-CE 4.42Å; V39-M100 HydrophobicContact CG2-CE 4.21Å; V39-M100 PolarHBondContact N-O 3.03Å; V39-M100 PolarHBondContact O-N 2.89Å; W55-M100 HydrophobicContact CB-SD 3.99Å; W55-M100 HydrophobicContact CD2-CB 3.59Å; W55-M100 HydrophobicContact CD2-CE 4.39Å; W55-M100 HydrophobicContact CD2-CG 4.32Å; W55-M100 HydrophobicContact CD2-SD 3.97Å; W55-M100 HydrophobicContact CE3-CB 3.75Å; W55-M100 HydrophobicContact CE3-CE 3.66Å; W55-M100 HydrophobicContact CE3-CG 4.42Å; W55-M100 HydrophobicContact CE3-SD 3.83Å; W55-M100 HydrophobicContact CG-CB 4.19Å; W55-M100 HydrophobicContact CG-SD 4.07Å; W55-M100 HydrophobicContact CH2-CB 3.89Å; W55-M100 HydrophobicContact CZ2-CB 3.76Å; W55-M100 HydrophobicContact CZ3-CB 3.9Å; W55-M100 HydrophobicContact CZ3-CE 3.99Å; I67-M100 HydrophobicContact CD1-CE 4.24Å; I67-M100 HydrophobicContact CD1-SD 3.57Å; I67-M100 VanDerWaalsContact CD1-SD 3.57Å; I67-M100 HydrophobicContact CG2-SD 4.1Å; L89-M100 HydrophobicContact CD2-CB 3.73Å; L89-M100 HydrophobicContact CD2-CG 3.68Å; L89-M100 HydrophobicContact CD2-SD 4.41Å; M100-L102 HydrophobicContact CE-CD1 3.88Å; M100-L102 HydrophobicContact CE-CG 4.13Å; M100-L102 HydrophobicContact CG-CD2 4.35Å; M100-L102 HydrophobicContact CG-CG 4.24Å; M100-L102 HydrophobicContact SD-CD1 4.46Å; M100-L102 HydrophobicContact SD-CD2 4.14Å; M100-L102 HydrophobicContact SD-CG 4.23Å; M100-Y113 HydrophobicContact CE-CD1 3.53Å; M100-Y113 HydrophobicContact CE-CE1 4.14Å; M100-Y113 HydrophobicContact CE-CG 3.95Å; M100-Y113 HydrophobicContact SD-CD1 4.48Å
101	Q	98.5	Very high	97.3	Very high	78 Å²	78	52 Å²	52	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.1	168.5	-178.8	171.8	-33.5	0	0	109.2	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.59Å; V37-Q101 VanDerWaalsContact O-CA 3.29Å; V37-Q101 WeakPolarHBondContact O-CA 2.96Å; A87-Q101 CarbonylContact C-O 3.53Å; A87-Q101 VanDerWaalsContact CA-O 3.32Å; A87-Q101 WeakPolarHBondContact CA-O 2.93Å; T88-Q101 PolarHBondContact N-O 3.44Å; T88-Q101 PolarHBondContact O-N 2.81Å
102	L	98.1	Very high	97.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	170.9	-63.4	167.6	0	0	0	108.5	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.49Å; S36-L102 WeakPolarHBondContact CA-O 3.36Å; S36-L102 VanDerWaalsContact CB-O 3.29Å; S36-L102 WeakPolarHBondContact CB-O 3.44Å; V37-L102 HydrophobicContact CG1-CB 3.96Å; V37-L102 HydrophobicContact CG1-CD1 4.33Å; V37-L102 PolarHBondContact N-O 3.18Å; V37-L102 PolarHBondContact O-N 2.97Å; K86-L102 WeakPolarHBondContact O-CA 3.35Å; A87-L102 HydrophobicContact CB-CD2 3.77Å; M100-L102 HydrophobicContact CE-CD1 3.88Å; M100-L102 HydrophobicContact CE-CG 4.13Å; M100-L102 HydrophobicContact CG-CD2 4.35Å; M100-L102 HydrophobicContact CG-CG 4.24Å; M100-L102 HydrophobicContact SD-CD1 4.46Å; M100-L102 HydrophobicContact SD-CD2 4.14Å; M100-L102 HydrophobicContact SD-CG 4.23Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CD1-CD2 4.35Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.49Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.49Å; L102-Y113 HydrophobicContact CD1-CE2 4.15Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.45Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.46Å
103	S	97.7	Very high	97.2	Very high	29 Å²	29	53 Å²	53	20%	0.203	31%	0.312	C	S	.	.			trans	-113.1	157.6	-177	-50	0	0	0	0	111.5	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 2.99Å; K86-S103 PolarHBondContact O-N 2.85Å; S103-L105 PolarHBondContact O-N 3.42Å
104	S	97	Very high	97.2	Very high	84 Å²	84	51.2 Å²	51.2	59%	0.587	31%	0.305	S	S	*	.	S	Bend	trans	52.1	51.4	176	-54.9	0	0	0	0	112.8	T35	T35-S104 PolarHBondContact O-N 3.01Å
105	L	97.4	Very high	97.3	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.058	27%	0.272	C	S	.	.			trans	-64.1	147.7	-173.9	-68.4	170.2	0	0	0	112.6	V31 P33 G34 T35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.36Å; V31-L105 HydrophobicContact CG2-CD1 3.46Å; V31-L105 VanDerWaalsContact CG2-CD1 3.46Å; P33-L105 CarbonylContact C-O 3.54Å; P33-L105 WeakPolarHBondContact CA-O 3.48Å; G34-L105 PolarHBondContact N-O 2.95Å; T35-L105 WeakPolarHBondContact O-CG 3.4Å; T35-L105 PolarHBondContact O-N 2.84Å; V37-L105 HydrophobicContact CB-CD1 3.94Å; V37-L105 HydrophobicContact CG1-CD1 3.69Å; V37-L105 HydrophobicContact CG1-CD2 4.46Å; L102-L105 HydrophobicContact CB-CD2 3.73Å; L102-L105 HydrophobicContact CD1-CD2 4.35Å; S103-L105 PolarHBondContact O-N 3.42Å; L105-D109 HydrophobicContact CD2-CB 3.66Å
106	T	96.1	Very high	97.3	Very high	62 Å²	62	46.8 Å²	46.8	38%	0.38	28%	0.276	S	S	.	.			trans	-127.3	170.8	177.8	63.6	0	0	0	0	109.6	E108 D109	T106-E108 PolarHBondContact O-N 3.42Å; T106-E108 PolarHBondContact OG1-N 3.46Å; T106-D109 PolarHBondContact N-OD2 3.16Å; T106-D109 WeakPolarHBondContact O-CB 3.36Å; T106-D109 PolarHBondContact O-N 3.09Å; T106-D109 PolarHBondContact OG1-OD2 3.14Å
107	S	94.2	Very high	97	Very high	104 Å²	104	50.8 Å²	50.8	73%	0.727	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58.2	-28.2	172.9	50.4	0	0	0	0	112.7	D109 S110	S107-D109 PolarHBondContact O-N 3.25Å; S107-S110 WeakPolarHBondContact O-CB 3.33Å; S107-S110 PolarHBondContact O-N 3.1Å
108	E	93.3	Very high	96.9	Very high	135 Å²	135	52.9 Å²	52.9	63%	0.631	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.6	176.1	-58.6	-174.7	177.5	0	0	113.8	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 2.97Å; R59-E108 PolarHBondContact NE-O 3.4Å; T106-E108 PolarHBondContact O-N 3.42Å; T106-E108 PolarHBondContact OG1-N 3.46Å
109	D	95.3	Very high	96.8	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.064	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-91.2	-4.4	176.3	-55.6	-59.7	0	0	0	113.7	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.78Å; K57-D109 PolarHBondContact NZ-OD1 3.04Å; K86-D109 WeakPolarHBondContact CE-OD1 3.47Å; K86-D109 WeakPolarHBondContact CE-OD2 3.31Å; K86-D109 IonicContact NZ-OD1 2.88Å; K86-D109 PolarHBondContact NZ-OD1 2.91Å; K86-D109 IonicContact NZ-OD2 2.61Å; K86-D109 PolarHBondContact NZ-OD2 3.32Å; L105-D109 HydrophobicContact CD2-CB 3.66Å; T106-D109 PolarHBondContact N-OD2 3.16Å; T106-D109 WeakPolarHBondContact O-CB 3.36Å; T106-D109 PolarHBondContact O-N 3.09Å; T106-D109 PolarHBondContact OG1-OD2 3.14Å; S107-D109 PolarHBondContact O-N 3.25Å; D109-A111 PolarHBondContact O-N 3.46Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.29Å
110	S	95.9	Very high	96.7	Very high	93 Å²	93	55.7 Å²	55.7	65%	0.65	32%	0.319	S	S	*	.			trans	-64.8	105.5	170.5	-175.5	0	0	0	0	110	S107	S107-S110 WeakPolarHBondContact O-CB 3.33Å; S107-S110 PolarHBondContact O-N 3.1Å
111	A	96.8	Very high	96.6	Very high	27 Å²	27	58.9 Å²	58.9	22%	0.223	34%	0.337	C	S	.	.	S	Bend	trans	-159.7	166	-172.4	0	0	0	0	0	110.9	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.16Å; K57-A111 HydrophobicContact CG-CB 3.54Å; Q58-A111 WeakPolarHBondContact O-CA 3.43Å; Q58-A111 VanDerWaalsContact O-CB 3.29Å; Q58-A111 WeakPolarHBondContact O-CB 3.2Å; R59-A111 HydrophobicContact CG-CB 4.14Å; D109-A111 PolarHBondContact O-N 3.46Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.81Å; A111-Y113 WeakPolarHBondContact O-CD2 3.28Å
112	V	97.1	Very high	96.5	Very high	78 Å²	78	57.8 Å²	57.8	47%	0.473	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.7	160.6	-173.8	0	0	0	0	107.8	Q58 F114	Q58-V112 HydrophobicContact CB-CB 4.49Å; Q58-V112 PolarHBondContact N-O 3.01Å; Q58-V112 PolarHBondContact O-N 3.27Å; V112-F114 HydrophobicContact CB-CE2 4.02Å; V112-F114 HydrophobicContact CB-CZ 4.13Å; V112-F114 HydrophobicContact CG1-CD1 4.44Å; V112-F114 HydrophobicContact CG1-CD2 4.26Å; V112-F114 HydrophobicContact CG1-CE1 3.8Å; V112-F114 HydrophobicContact CG1-CE2 3.59Å; V112-F114 HydrophobicContact CG1-CZ 3.33Å
113	Y	97.8	Very high	96.4	Very high	33 Å²	33	61.5 Å²	61.5	13%	0.129	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.5	178.2	-70.3	-89.2	0	0	0	108.8	Q25 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.22Å; Q25-Y113 PolarHBondContact OE1-O 3.19Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.3Å; K57-Y113 HydrophobicContact CB-CD1 4.19Å; K57-Y113 HydrophobicContact CB-CE1 3.96Å; K57-Y113 HydrophobicContact CD-CE1 4.01Å; K57-Y113 WeakPolarHBondContact CE-OH 3.35Å; K57-Y113 HydrophobicContact CG-CD1 4.28Å; K57-Y113 HydrophobicContact CG-CE1 3.75Å; I67-Y113 HydrophobicContact CD1-CD1 3.59Å; I67-Y113 HydrophobicContact CD1-CE1 3.68Å; M100-Y113 HydrophobicContact CE-CD1 3.53Å; M100-Y113 HydrophobicContact CE-CE1 4.14Å; M100-Y113 HydrophobicContact CE-CG 3.95Å; M100-Y113 HydrophobicContact SD-CD1 4.48Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.49Å; L102-Y113 VanDerWaalsContact CD1-CE1 3.49Å; L102-Y113 HydrophobicContact CD1-CE2 4.15Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.45Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.46Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.29Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.81Å; A111-Y113 WeakPolarHBondContact O-CD2 3.28Å
114	F	98	Very high	96.3	Very high	82 Å²	82	63.9 Å²	63.9	36%	0.36	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.7	179.8	-61	-79.6	0	0	0	110.3	W55 V56 Q58 V112	W55-F114 WeakPolarHBondContact CA-O 3.42Å; V56-F114 PolarHBondContact N-O 3.5Å; V56-F114 PolarHBondContact O-N 3.3Å; Q58-F114 HydrophobicContact CB-CD2 4.43Å; Q58-F114 HydrophobicContact CB-CE2 3.85Å; V112-F114 HydrophobicContact CB-CE2 4.02Å; V112-F114 HydrophobicContact CB-CZ 4.13Å; V112-F114 HydrophobicContact CG1-CD1 4.44Å; V112-F114 HydrophobicContact CG1-CD2 4.26Å; V112-F114 HydrophobicContact CG1-CE1 3.8Å; V112-F114 HydrophobicContact CG1-CE2 3.59Å; V112-F114 HydrophobicContact CG1-CZ 3.33Å
115	C	98.3	Very high	96.2	Very high	12 Å²	12	62.3 Å²	62.3	8%	0.081	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.6	157.4	65.3	0	0	0	0	110.3	Q25 C41 I53 E54 W55	Q25-C115 HydrophobicContact CG-CB 4.48Å; Q25-C115 WeakPolarHBondContact CG-SG 3.29Å; C41-C115 HydrophobicContact CB-CB 3.51Å; C41-C115 WeakPolarHBondContact CB-SG 3.29Å; C41-C115 WeakPolarHBondContact SG-CB 3.44Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.42Å; I53-C115 HydrophobicContact CG2-CB 4.17Å; E54-C115 CarbonylContact O-C 3.51Å; E54-C115 VanDerWaalsContact O-CA 3.25Å; E54-C115 WeakPolarHBondContact O-CA 3.34Å; W55-C115 HydrophobicContact CD2-CB 4.38Å; W55-C115 HydrophobicContact CE3-CB 4.2Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.35Å; W55-C115 HydrophobicContact CZ3-CB 4.12Å
116	A	97.8	Very high	96.2	Very high	43 Å²	43	66.6 Å²	66.6	36%	0.355	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.6	178.6	0	0	0	0	0	111	I53 E54	I53-A116 CarbonylContact C-O 3.57Å; I53-A116 WeakPolarHBondContact CA-O 3.42Å; E54-A116 HydrophobicContact CB-CB 4.46Å; E54-A116 PolarHBondContact N-O 3.21Å; E54-A116 PolarHBondContact O-N 3.29Å
117	R	93.1	Very high	96.2	Very high	118 Å²	118	67 Å²	67	45%	0.445	38%	0.376	S	S	.	.			trans	-129	0	175.6	-168.7	-157.7	98.1	174.6	5.4	109.4	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD1-CB 4.28Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.34Å; Y46-R117 HydrophobicContact CE2-CG 4.27Å; Y51-R117 VanDerWaalsContact CB-CD 3.45Å; Y51-R117 VanDerWaalsContact CB-CG 3.4Å; Y51-R117 HydrophobicContact CD1-CG 4.08Å; Y51-R117 VanDerWaalsContact CD1-CZ 3.47Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.87Å; Y51-R117 PolarHBondContact OH-NH2 3.38Å; I53-R117 HydrophobicContact CD1-CB 4.36Å; I53-R117 HydrophobicContact CD1-CG 4.37Å

Retrieved 117 of 117 residues in 88.1 ms (Link to these results)

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