A0A075B5X2_MOUSE Loading...

Immunoglobulin heavy variable V1-63

AlphaFold DB , UniProt , Accession A0A075B5X2, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-63, Length 117 aa.

						>A0A075B5X2_MOUSE|A0A075B5X2|Ighv1-63
MEWSGVFIFLLSVTAGVHSQVQLQQSGAELVRPGTSVKMSCKASGYTFTNYWIGWAKQRPGHGLEWIGDIYPGGGYTNYNEKFKGKATLTADKSSSTAYMQFSSLTSEDSAIYYCAR
					

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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	43.6	Very low	58.8	Low	232 Å²	232	162.1 Å²	162.1	100%	1.143	83%	0.833	S	S	*	*				0	64.6	0	-60.4	178.3	-83.5	0	0	106.1
2	E	48.8	Very low	59.4	Low	165 Å²	165	157.3 Å²	157.3	77%	0.771	83%	0.825	S	S	*	*				57.4	116.7	67.3	-58	-135.6	160.9	0	0	110.2
3	W	53.3	Low	60.3	Low	229 Å²	229	155.7 Å²	155.7	87%	0.867	83%	0.825	S	S	*	*			cis	-151	141	23.3	-82	-30.7	0	0	0	112
4	S	53.8	Low	60.8	Low	123 Å²	123	153.6 Å²	153.6	86%	0.86	82%	0.821	S	S	*	*			trans	-85	107.2	160.3	-62	0	0	0	0	108.9	V6	S4-V6 PolarHBondContact O-N 3.21Å
5	G	63.4	Low	61.4	Low	65 Å²	65	149 Å²	149	67%	0.67	81%	0.813	S	S	*	*			trans	-78.2	110.2	176.6	0	0	0	0	0	111.6
6	V	67.9	Low	61.5	Low	126 Å²	126	143.4 Å²	143.4	76%	0.764	80%	0.801	S	S	*	*			trans	-81.6	115.2	168.7	175.6	0	0	0	0	108.3	S4 I8	S4-V6 PolarHBondContact O-N 3.21Å; V6-I8 HydrophobicContact CG1-CG1 4.22Å
7	F	62.8	Low	61.8	Low	179 Å²	179	143.5 Å²	143.5	79%	0.785	81%	0.805	S	S	*	*			trans	-84.3	111.6	171.3	-76.8	-81.1	0	0	0	109.8	F9	F7-F9 HydrophobicContact CB-CE2 4.31Å
8	I	71.2	Confident	62	Low	143 Å²	143	145.6 Å²	145.6	73%	0.733	81%	0.807	S	S	*	*			trans	-92.2	114.6	170.3	-60.7	176.1	0	0	0	107.9	V6 L10	V6-I8 HydrophobicContact CG1-CG1 4.22Å; I8-L10 HydrophobicContact CG2-CG 4.48Å
9	F	58.1	Low	62.8	Low	188 Å²	188	142.5 Å²	142.5	83%	0.825	80%	0.796	S	S	*	*			trans	-89	115.1	169.1	-77.9	-86.5	0	0	0	109.6	F7	F7-F9 HydrophobicContact CB-CE2 4.31Å
10	L	63.3	Low	64.2	Low	162 Å²	162	142.3 Å²	142.3	85%	0.848	79%	0.789	S	S	*	*			trans	-90.7	115.2	169	-76.4	164.6	0	0	0	109	I8 S12	I8-L10 HydrophobicContact CG2-CG 4.48Å; L10-S12 PolarHBondContact O-N 3.38Å
11	L	60.9	Low	65.7	Low	171 Å²	171	138.6 Å²	138.6	90%	0.895	77%	0.77	S	S	*	*			trans	-78.8	103.3	168.6	-76.2	165.3	0	0	0	108.9
12	S	66.1	Low	68.2	Low	105 Å²	105	132.3 Å²	132.3	73%	0.734	74%	0.738	S	S	*	*			trans	-83.7	110.2	169.8	57	0	0	0	0	109.9	L10 T14	L10-S12 PolarHBondContact O-N 3.38Å; S12-T14 PolarHBondContact O-N 2.77Å
13	V	71.1	Confident	70.5	Confident	136 Å²	136	127 Å²	127	82%	0.824	72%	0.715	S	S	*	*			trans	-77.6	107.2	166.6	179.6	0	0	0	0	107.9	A15	V13-A15 PolarHBondContact O-N 2.64Å
14	T	67.4	Low	72.6	Confident	127 Å²	127	122.6 Å²	122.6	78%	0.779	70%	0.704	S	S	*	*			trans	-80	92.9	170.6	47.6	0	0	0	0	108.9	S12 G16	S12-T14 PolarHBondContact O-N 2.77Å; T14-G16 PolarHBondContact O-N 3.26Å; T14-G16 VanDerWaalsContact O-N 3.14Å
15	A	69.4	Low	74.8	Confident	84 Å²	84	119.2 Å²	119.2	69%	0.694	67%	0.674	S	S	*	*			trans	-66.4	111.1	163.8	0	0	0	0	0	107.8	V13 V17	V13-A15 PolarHBondContact O-N 2.64Å; A15-V17 PolarHBondContact O-N 2.99Å
16	G	62.8	Low	76.3	Confident	60 Å²	60	118 Å²	118	62%	0.619	66%	0.656	S	S	*	*			trans	-58.3	123.5	172.3	0	0	0	0	0	109.9	T14 H18	T14-G16 PolarHBondContact O-N 3.26Å; T14-G16 VanDerWaalsContact O-N 3.14Å; G16-H18 PolarHBondContact O-N 3.29Å
17	V	66.4	Low	77.7	Confident	144 Å²	144	115.1 Å²	115.1	87%	0.873	65%	0.651	S	S	*	*			trans	-78.2	88.8	178.2	-175.4	0	0	0	0	108.5	A15	A15-V17 PolarHBondContact O-N 2.99Å
18	H	65.7	Low	79.3	Confident	182 Å²	182	112 Å²	112	84%	0.843	66%	0.658	S	S	*	*			trans	-76	122.2	163.2	-71.9	-70.2	0	0	0	108.5	G16 Q20	G16-H18 PolarHBondContact O-N 3.29Å; H18-Q20 PolarHBondContact O-N 2.76Å
19	S	77.6	Confident	80.4	Confident	86 Å²	86	110.1 Å²	110.1	60%	0.601	65%	0.646	S	S	*	*			trans	-76.6	114.3	175	-153.9	0	0	0	0	109.5	G45	S19-G45 WeakPolarHBondContact OG-CA 3.49Å
20	Q	91.5	Very high	82.2	Confident	138 Å²	138	109.8 Å²	109.8	65%	0.645	65%	0.652	S	S	*	*			trans	-75.4	128.3	174	-172.8	-174.7	34.8	0	0	109.3	H18 Q22	H18-Q20 PolarHBondContact O-N 2.76Å; Q20-Q22 HydrophobicContact CG-CG 4.24Å; Q20-Q22 PolarHBondContact O-N 2.74Å
21	V	93.9	Very high	83.6	Confident	66 Å²	66	104.9 Å²	104.9	40%	0.4	63%	0.629	S	S	.	*			trans	-68.5	125.9	170.4	175.7	0	0	0	0	109	Y46	V21-Y46 HydrophobicContact CG1-CD1 3.91Å; V21-Y46 HydrophobicContact CG1-CE1 3.97Å; V21-Y46 HydrophobicContact CG2-CD1 4.38Å
22	Q	96.8	Very high	85.3	Confident	100 Å²	100	106.4 Å²	106.4	47%	0.467	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.1	145	175.6	-58.1	-179.3	-25	0	0	111.1	Q20 A43 S44	Q20-Q22 HydrophobicContact CG-CG 4.24Å; Q20-Q22 PolarHBondContact O-N 2.74Å; Q22-A43 WeakPolarHBondContact O-CA 3.38Å; Q22-S44 WeakPolarHBondContact CB-OG 3.3Å; Q22-S44 PolarHBondContact N-O 2.85Å; Q22-S44 PolarHBondContact O-N 3.44Å
23	L	97.8	Very high	86.6	Confident	54 Å²	54	106.5 Å²	106.5	28%	0.283	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.3	114.2	171.8	-63.5	179.7	0	0	0	108	K42 A43 Y46 R117	L23-K42 WeakPolarHBondContact CA-O 3.48Å; L23-A43 HydrophobicContact CD2-CB 3.9Å; L23-Y46 HydrophobicContact CD2-CE1 4.27Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.45Å; L23-R117 HydrophobicContact CD1-CB 4.22Å
24	Q	97.9	Very high	87.8	Confident	136 Å²	136	102.8 Å²	102.8	64%	0.636	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.1	113.6	-179.1	-179.4	59.6	62.2	0	0	110.1	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.38Å; Q24-K42 PolarHBondContact N-O 2.92Å; Q24-K42 PolarHBondContact O-N 2.82Å
25	Q	98.2	Very high	89.3	Confident	51 Å²	51	99.4 Å²	99.4	24%	0.238	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.7	155.7	176.2	-73.3	-178.7	-113.6	0	0	112.8	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.55Å; Q25-S40 WeakPolarHBondContact CA-O 3.33Å; Q25-C41 HydrophobicContact CG-CB 4.28Å; Q25-Y113 PolarHBondContact NE2-O 3.17Å; Q25-C115 HydrophobicContact CG-CB 4.36Å; Q25-C115 WeakPolarHBondContact CG-SG 3.41Å
26	S	96.5	Very high	90.6	Very high	41 Å²	41	98.5 Å²	98.5	29%	0.287	58%	0.578	S	S	.	*			trans	-60.9	157.4	164.9	50.2	0	0	0	0	111	M39 S40	S26-M39 WeakPolarHBondContact OG-CA 3.38Å; S26-S40 WeakPolarHBondContact CB-OG 3.37Å; S26-S40 PolarHBondContact N-O 2.61Å; S26-S40 PolarHBondContact OG-N 3.19Å; S26-S40 VanDerWaalsContact OG-N 3.08Å
27	G	96	Very high	92.2	Very high	64 Å²	64	96.4 Å²	96.4	66%	0.66	55%	0.553	S	S	*	*			trans	-66.7	176.4	-179.1	0	0	0	0	0	114
28	A	96	Very high	93.7	Very high	113 Å²	113	94.7 Å²	94.7	93%	0.934	53%	0.534	S	S	*	.			trans	-65.6	141.7	175.3	0	0	0	0	0	111.2
29	E	95	Very high	95.2	Very high	105 Å²	105	86.8 Å²	86.8	49%	0.491	50%	0.497	S	S	.	.			trans	-122.7	132.6	177.8	-67.3	-169.8	-144.2	0	0	110.7	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.17Å; E29-V37 HydrophobicContact CB-CG2 4.26Å; E29-V37 VanDerWaalsContact CD-CG2 3.42Å; E29-V37 HydrophobicContact CG-CG2 4.34Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.43Å
30	L	95.4	Very high	96.2	Very high	181 Å²	181	84.1 Å²	84.1	95%	0.948	48%	0.479	S	S	*	.			trans	-100.8	117.9	168.7	-177.5	66	0	0	0	108.5
31	V	94.1	Very high	96.5	Very high	58 Å²	58	77.6 Å²	77.6	35%	0.352	45%	0.448	S	S	.	.			trans	-128.9	154.5	-170.4	-65.5	0	0	0	0	110.8	E29 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.17Å; V31-V37 HydrophobicContact CG1-CB 4.41Å; V31-L105 HydrophobicContact CB-CD1 4.32Å; V31-L105 HydrophobicContact CG2-CD1 3.57Å
32	R	94.9	Very high	96.7	Very high	203 Å²	203	80.2 Å²	80.2	77%	0.766	45%	0.454	S	S	*	.			trans	-85.3	148.5	177.1	-63.8	179.2	-176.1	171.1	1.1	110.4	T35	R32-T35 HydrophobicContact CB-CG2 3.99Å; R32-T35 WeakPolarHBondContact O-CB 3.44Å; R32-T35 WeakPolarHBondContact O-CG2 3.16Å; R32-T35 PolarHBondContact O-N 3.23Å; R32-T35 PolarHBondContact O-OG1 2.91Å
33	P	95	Very high	96.8	Very high	108 Å²	108	75.8 Å²	75.8	70%	0.701	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	144.5	169.9	-25.2	34.6	0	0	0	112	T35 L105	P33-T35 PolarHBondContact O-N 3Å; P33-L105 CarbonylContact C-O 3.58Å; P33-L105 WeakPolarHBondContact CA-O 3.35Å
34	G	96.4	Very high	96.7	Very high	57 Å²	57	75.6 Å²	75.6	59%	0.588	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-10.5	-176.3	0	0	0	0	0	115.1	L105	G34-L105 PolarHBondContact N-O 3.05Å
35	T	97	Very high	96.6	Very high	56 Å²	56	70.3 Å²	70.3	34%	0.344	42%	0.42	S	S	.	.			trans	-85	173	177.6	68.3	0	0	0	0	112.3	R32 P33 S104 L105	R32-T35 HydrophobicContact CB-CG2 3.99Å; R32-T35 WeakPolarHBondContact O-CB 3.44Å; R32-T35 WeakPolarHBondContact O-CG2 3.16Å; R32-T35 PolarHBondContact O-N 3.23Å; R32-T35 PolarHBondContact O-OG1 2.91Å; P33-T35 PolarHBondContact O-N 3Å; T35-S104 PolarHBondContact O-N 3.1Å; T35-L105 PolarHBondContact O-N 2.89Å
36	S	96.7	Very high	96.5	Very high	66 Å²	66	69.8 Å²	69.8	46%	0.462	42%	0.416	S	S	.	.			trans	-112.2	149.1	173.4	-56.7	0	0	0	0	110.7	F102 S103	S36-F102 CarbonylContact C-O 3.51Å; S36-F102 WeakPolarHBondContact CA-O 3.33Å; S36-F102 WeakPolarHBondContact CB-O 3.48Å; S36-S103 WeakPolarHBondContact OG-CA 3.14Å
37	V	96.9	Very high	96.5	Very high	16 Å²	16	71.6 Å²	71.6	10%	0.097	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.4	173.5	61.1	0	0	0	0	109.9	E29 V31 Q101 F102 L105	E29-V37 HydrophobicContact CB-CG2 4.26Å; E29-V37 VanDerWaalsContact CD-CG2 3.42Å; E29-V37 HydrophobicContact CG-CG2 4.34Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.43Å; V31-V37 HydrophobicContact CG1-CB 4.41Å; V37-Q101 CarbonylContact O-C 3.46Å; V37-Q101 WeakPolarHBondContact O-CA 3.02Å; V37-F102 HydrophobicContact CG1-CB 3.85Å; V37-F102 PolarHBondContact N-O 3.07Å; V37-F102 PolarHBondContact O-N 2.79Å; V37-L105 HydrophobicContact CB-CD1 3.85Å; V37-L105 HydrophobicContact CG1-CD1 3.51Å; V37-L105 HydrophobicContact CG1-CD2 4.35Å; V37-L105 HydrophobicContact CG1-CG 4.39Å
38	K	97.4	Very high	96.5	Very high	108 Å²	108	68.8 Å²	68.8	47%	0.47	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	105	174.6	-174.9	178.4	-178.9	178.2	0	110	Y99 M100	K38-Y99 HydrophobicContact CD-CD1 4.4Å; K38-Y99 VanDerWaalsContact CE-CD1 3.48Å; K38-Y99 HydrophobicContact CG-CD1 4.32Å; K38-M100 WeakPolarHBondContact CA-O 3.37Å
39	M	97.6	Very high	96.6	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.074	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.1	175.3	61.8	-172.3	73.8	0	0	111.5	S26 W55 Y99 M100 Y113	S26-M39 WeakPolarHBondContact OG-CA 3.38Å; M39-W55 HydrophobicContact CB-CZ3 4.45Å; M39-W55 HydrophobicContact CG-CE3 4.26Å; M39-W55 HydrophobicContact CG-CH2 3.69Å; M39-W55 HydrophobicContact CG-CZ3 3.5Å; M39-W55 VanDerWaalsContact CG-CZ3 3.5Å; M39-W55 HydrophobicContact SD-CE3 3.67Å; M39-W55 HydrophobicContact SD-CH2 4.13Å; M39-W55 HydrophobicContact SD-CZ3 3.29Å; M39-W55 WeakPolarHBondContact SD-CZ3 3.46Å; M39-Y99 VanDerWaalsContact O-CA 3.24Å; M39-Y99 WeakPolarHBondContact O-CA 3.25Å; M39-M100 HydrophobicContact CE-CE 3.27Å; M39-M100 HydrophobicContact CG-CB 3.78Å; M39-M100 HydrophobicContact CG-CE 4.23Å; M39-M100 WeakPolarHBondContact CG-O 3.37Å; M39-M100 PolarHBondContact N-O 2.99Å; M39-M100 PolarHBondContact O-N 2.93Å; M39-M100 HydrophobicContact SD-CB 4.21Å; M39-M100 HydrophobicContact SD-CE 3.24Å; M39-M100 WeakPolarHBondContact SD-CE 3.11Å; M39-Y113 HydrophobicContact CE-CD1 3.83Å; M39-Y113 HydrophobicContact CE-CD2 4.02Å; M39-Y113 HydrophobicContact CE-CE1 4.31Å; M39-Y113 HydrophobicContact CE-CG 3.64Å; M39-Y113 HydrophobicContact SD-CD1 4.26Å; M39-Y113 HydrophobicContact SD-CG 4.09Å
40	S	98.4	Very high	96.7	Very high	31 Å²	31	64.8 Å²	64.8	22%	0.217	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.5	176	66.2	0	0	0	0	111.1	Q25 S26 A98 Y99	Q25-S40 CarbonylContact C-O 3.55Å; Q25-S40 WeakPolarHBondContact CA-O 3.33Å; S26-S40 WeakPolarHBondContact CB-OG 3.37Å; S26-S40 PolarHBondContact N-O 2.61Å; S26-S40 PolarHBondContact OG-N 3.19Å; S26-S40 VanDerWaalsContact OG-N 3.08Å; S40-A98 CarbonylContact C-O 3.48Å; S40-A98 WeakPolarHBondContact CA-O 3.38Å; S40-Y99 VanDerWaalsContact CB-CE1 3.49Å
41	C	98.5	Very high	96.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.007	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	102.7	171.4	176.9	0	0	0	0	108.9	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.38Å; Q25-C41 HydrophobicContact CG-CB 4.28Å; C41-W55 HydrophobicContact CB-CH2 3.57Å; C41-W55 HydrophobicContact CB-CZ2 3.77Å; C41-W55 HydrophobicContact CB-CZ3 4.47Å; C41-T97 WeakPolarHBondContact O-CA 3.5Å; C41-A98 PolarHBondContact N-O 3.22Å; C41-A98 PolarHBondContact O-N 3.39Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.32Å; C41-C115 WeakPolarHBondContact SG-CB 3.48Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 3.32Å
42	K	98.4	Very high	97.1	Very high	121 Å²	121	63 Å²	63	53%	0.526	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.7	-179.4	-173.5	176	-176.6	178.4	0	110.2	L23 Q24	L23-K42 WeakPolarHBondContact CA-O 3.48Å; Q24-K42 PolarHBondContact N-O 2.92Å; Q24-K42 PolarHBondContact O-N 2.82Å
43	A	98.2	Very high	97.2	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.4	179.9	0	0	0	0	0	112.1	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.38Å; L23-A43 HydrophobicContact CD2-CB 3.9Å; A43-Y46 HydrophobicContact CB-CE1 3.61Å; A43-Y46 WeakPolarHBondContact CB-OH 3.39Å; 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 4.04Å; A43-F48 HydrophobicContact CB-CG 4.25Å; A43-S96 PolarHBondContact N-O 2.92Å; A43-S96 WeakPolarHBondContact O-CB 3.45Å
44	S	97.1	Very high	97.4	Very high	50 Å²	50	49 Å²	49	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.3	169.4	63.4	0	0	0	0	111.2	Q22 Y46	Q22-S44 WeakPolarHBondContact CB-OG 3.3Å; Q22-S44 PolarHBondContact N-O 2.85Å; Q22-S44 PolarHBondContact O-N 3.44Å; S44-Y46 VanDerWaalsContact O-CD1 3.29Å; S44-Y46 WeakPolarHBondContact O-CD1 3.43Å
45	G	95.6	Very high	97.5	Very high	26 Å²	26	46.3 Å²	46.3	27%	0.268	25%	0.249	S	C	.	.	S	Bend	trans	83.6	13.4	177.8	0	0	0	0	0	116	S19	S19-G45 WeakPolarHBondContact OG-CA 3.49Å
46	Y	94.6	Very high	97.5	Very high	40 Å²	40	44.6 Å²	44.6	16%	0.157	24%	0.24	C	C	.	.	S	Bend	trans	-162.6	168.3	174.6	67.1	-80.2	0	0	0	111.7	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.91Å; V21-Y46 HydrophobicContact CG1-CE1 3.97Å; V21-Y46 HydrophobicContact CG2-CD1 4.38Å; L23-Y46 HydrophobicContact CD2-CE1 4.27Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.45Å; A43-Y46 HydrophobicContact CB-CE1 3.61Å; A43-Y46 WeakPolarHBondContact CB-OH 3.39Å; S44-Y46 VanDerWaalsContact O-CD1 3.29Å; S44-Y46 WeakPolarHBondContact O-CD1 3.43Å; Y46-F48 HydrophobicContact CE2-CB 4.47Å; Y46-F48 PolarHBondContact O-N 2.93Å; Y46-Y51 AromaticContact CD2-CD2 3.45Å; Y46-Y51 HydrophobicContact CD2-CD2 3.45Å; Y46-Y51 VanDerWaalsContact CD2-CD2 3.45Å; Y46-Y51 AromaticContact CD2-CE2 3.89Å; Y46-Y51 HydrophobicContact CD2-CE2 3.89Å; Y46-Y51 HydrophobicContact CD2-CG 4.22Å; Y46-Y51 AromaticContact CE2-CD2 3.84Å; Y46-Y51 HydrophobicContact CE2-CD2 3.84Å; Y46-Y51 HydrophobicContact CE2-CG 4.23Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.04Å; Y46-R117 HydrophobicContact CE2-CG 4.26Å
47	T	96.4	Very high	97.5	Very high	79 Å²	79	41.8 Å²	41.8	49%	0.485	22%	0.22	S	C	.	.			trans	-72.6	92.4	172.3	-50.8	0	0	0	0	110.2	T49 N50 Y51	T47-T49 PolarHBondContact O-N 3.08Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T47-N50 HydrophobicContact CG2-CB 4.3Å; T47-N50 WeakPolarHBondContact O-CB 3.43Å; T47-N50 PolarHBondContact O-N 2.98Å; T47-Y51 WeakPolarHBondContact O-CD2 3.42Å
48	F	97.6	Very high	97.5	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-47.4	-40.6	-176.9	173.5	-112.6	0	0	0	114.1	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 4.04Å; A43-F48 HydrophobicContact CB-CG 4.25Å; Y46-F48 HydrophobicContact CE2-CB 4.47Å; Y46-F48 PolarHBondContact O-N 2.93Å; F48-N50 PolarHBondContact O-N 3.27Å; F48-N50 VanDerWaalsContact O-N 3.15Å; F48-Y51 PolarHBondContact O-N 3.38Å; F48-I53 HydrophobicContact CD2-CD1 4.18Å; F48-I53 HydrophobicContact CD2-CG1 4.38Å; F48-I53 HydrophobicContact CE2-CD1 3.91Å; F48-I53 HydrophobicContact CE2-CG1 3.69Å; F48-I53 HydrophobicContact CZ-CG1 4.41Å; F48-P72 HydrophobicContact CD1-CB 3.96Å; F48-P72 HydrophobicContact CD1-CG 4.15Å; F48-P72 HydrophobicContact CD2-CG 4.4Å; F48-P72 HydrophobicContact CE1-CB 3.51Å; F48-P72 HydrophobicContact CE1-CG 3.63Å; F48-P72 HydrophobicContact CE2-CG 3.93Å; F48-P72 HydrophobicContact CZ-CB 3.92Å; F48-P72 HydrophobicContact CZ-CG 3.51Å; F48-A91 HydrophobicContact CE1-CB 4.11Å; F48-A91 HydrophobicContact CZ-CB 4.07Å; F48-A98 HydrophobicContact CE2-CB 4.31Å; F48-A98 HydrophobicContact CZ-CB 4.1Å
49	T	98.1	Very high	97.5	Very high	41 Å²	41	42.4 Å²	42.4	25%	0.252	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-67.8	-12.9	-178	54.5	0	0	0	0	114.8	T47 G73 K93	T47-T49 PolarHBondContact O-N 3.08Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T49-G73 WeakPolarHBondContact O-CA 3.44Å; T49-G73 PolarHBondContact O-N 2.76Å; T49-G73 VanDerWaalsContact O-N 3.07Å; T49-K93 HydrophobicContact CG2-CB 4.29Å; T49-K93 HydrophobicContact CG2-CD 4.41Å; T49-K93 HydrophobicContact CG2-CG 4.14Å
50	N	97.4	Very high	97.3	Very high	94 Å²	94	47.1 Å²	47.1	50%	0.503	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-96.5	-1.3	-174.4	-67.6	5.2	0	0	0	113.8	T47 F48	T47-N50 HydrophobicContact CG2-CB 4.3Å; T47-N50 WeakPolarHBondContact O-CB 3.43Å; T47-N50 PolarHBondContact O-N 2.98Å; F48-N50 PolarHBondContact O-N 3.27Å; F48-N50 VanDerWaalsContact O-N 3.15Å
51	Y	97.5	Very high	97.1	Very high	103 Å²	103	50 Å²	50	40%	0.404	29%	0.286	S	S	.	.	S	Bend	trans	-131.4	150.3	-174.8	-65	-93.2	0	0	0	112	Y46 T47 F48 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.45Å; Y46-Y51 HydrophobicContact CD2-CD2 3.45Å; Y46-Y51 VanDerWaalsContact CD2-CD2 3.45Å; Y46-Y51 AromaticContact CD2-CE2 3.89Å; Y46-Y51 HydrophobicContact CD2-CE2 3.89Å; Y46-Y51 HydrophobicContact CD2-CG 4.22Å; Y46-Y51 AromaticContact CE2-CD2 3.84Å; Y46-Y51 HydrophobicContact CE2-CD2 3.84Å; Y46-Y51 HydrophobicContact CE2-CG 4.23Å; T47-Y51 WeakPolarHBondContact O-CD2 3.42Å; F48-Y51 PolarHBondContact O-N 3.38Å; Y51-P72 WeakPolarHBondContact O-CD 3.46Å; Y51-R117 HydrophobicContact CD1-CG 4.24Å; Y51-R117 HydrophobicContact CG-CG 4.08Å
52	W	98.4	Very high	96.9	Very high	99 Å²	99	54.9 Å²	54.9	38%	0.375	31%	0.308	S	S	.	.			trans	-72.2	143.2	169.5	-68.9	88.8	0	0	0	110.4	D69 I70 Y71 N78	W52-D69 HydrophobicContact CE3-CB 3.97Å; W52-D69 VanDerWaalsContact CE3-CG 3.49Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.41Å; W52-I70 CarbonylContact C-O 3.58Å; W52-I70 WeakPolarHBondContact CA-O 3.29Å; W52-Y71 HydrophobicContact CD2-CD2 4.28Å; W52-Y71 HydrophobicContact CD2-CG 4.36Å; W52-Y71 HydrophobicContact CG-CD2 4.3Å; W52-Y71 HydrophobicContact CZ2-CG 4.21Å; W52-Y71 AromaticContact NE1-CD2 3.97Å; W52-N78 WeakPolarHBondContact CH2-ND2 3.33Å; W52-N78 WeakPolarHBondContact CZ3-ND2 3.48Å
53	I	98.5	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108.6	171.4	-50.6	-62.7	0	0	0	107.9	Y46 F48 D69 I70 P72 A98 C115 A116 R117	Y46-I53 WeakPolarHBondContact OH-CD1 3.04Å; F48-I53 HydrophobicContact CD2-CD1 4.18Å; F48-I53 HydrophobicContact CD2-CG1 4.38Å; F48-I53 HydrophobicContact CE2-CD1 3.91Å; F48-I53 HydrophobicContact CE2-CG1 3.69Å; F48-I53 HydrophobicContact CZ-CG1 4.41Å; I53-D69 VanDerWaalsContact O-CA 3.24Å; I53-D69 WeakPolarHBondContact O-CA 3.36Å; I53-D69 WeakPolarHBondContact O-CB 3.42Å; I53-I70 HydrophobicContact CB-CG2 4.11Å; I53-I70 PolarHBondContact N-O 2.69Å; I53-I70 PolarHBondContact O-N 3.02Å; I53-P72 HydrophobicContact CG1-CG 4.18Å; I53-A98 HydrophobicContact CB-CB 4.11Å; I53-A98 HydrophobicContact CG1-CB 4.23Å; I53-A98 HydrophobicContact CG2-CB 3.8Å; I53-C115 HydrophobicContact CG2-CB 4.32Å; I53-A116 CarbonylContact C-O 3.53Å; I53-A116 WeakPolarHBondContact CA-O 3.48Å; I53-R117 HydrophobicContact CD1-CB 4.27Å; I53-R117 HydrophobicContact CD1-CG 4.23Å
54	G	98.4	Very high	96.7	Very high	16 Å²	16	57.1 Å²	57.1	17%	0.165	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148.4	178.2	0	0	0	0	0	112.1	C115 A116	G54-C115 CarbonylContact O-C 3.57Å; G54-C115 VanDerWaalsContact O-CA 3.27Å; G54-C115 WeakPolarHBondContact O-CA 3.16Å; G54-A116 PolarHBondContact N-O 3.41Å; G54-A116 PolarHBondContact O-N 3.41Å
55	W	98.5	Very high	96.7	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.2	172.7	-66.6	88.2	0	0	0	110.2	M39 C41 I67 G68 L89 A98 M100 Y114 C115	M39-W55 HydrophobicContact CB-CZ3 4.45Å; M39-W55 HydrophobicContact CG-CE3 4.26Å; M39-W55 HydrophobicContact CG-CH2 3.69Å; M39-W55 HydrophobicContact CG-CZ3 3.5Å; M39-W55 VanDerWaalsContact CG-CZ3 3.5Å; M39-W55 HydrophobicContact SD-CE3 3.67Å; M39-W55 HydrophobicContact SD-CH2 4.13Å; M39-W55 HydrophobicContact SD-CZ3 3.29Å; M39-W55 WeakPolarHBondContact SD-CZ3 3.46Å; C41-W55 HydrophobicContact CB-CH2 3.57Å; C41-W55 HydrophobicContact CB-CZ2 3.77Å; C41-W55 HydrophobicContact CB-CZ3 4.47Å; W55-I67 HydrophobicContact CB-CB 4.23Å; W55-I67 WeakPolarHBondContact O-CB 3.13Å; W55-I67 PolarHBondContact O-N 3.42Å; W55-G68 PolarHBondContact N-O 2.78Å; W55-L89 HydrophobicContact CG-CD2 4.1Å; W55-A98 HydrophobicContact CZ2-CB 4.27Å; W55-M100 HydrophobicContact CB-SD 3.98Å; W55-M100 HydrophobicContact CD2-CB 3.78Å; W55-M100 HydrophobicContact CD2-SD 4.27Å; W55-M100 HydrophobicContact CE3-CB 4.07Å; W55-M100 HydrophobicContact CE3-CE 4.33Å; W55-M100 HydrophobicContact CE3-SD 4.44Å; W55-M100 HydrophobicContact CG-CB 4.25Å; W55-M100 HydrophobicContact CG-SD 4.1Å; W55-M100 HydrophobicContact CH2-CB 4.27Å; W55-M100 HydrophobicContact CZ2-CB 4.01Å; W55-M100 HydrophobicContact CZ3-CB 4.32Å; W55-Y114 WeakPolarHBondContact CA-O 3.42Å; W55-C115 HydrophobicContact CD2-CB 4.22Å; W55-C115 HydrophobicContact CE3-CB 3.97Å; W55-C115 HydrophobicContact CH2-CB 3.99Å; W55-C115 HydrophobicContact CZ2-CB 4.21Å; W55-C115 HydrophobicContact CZ3-CB 3.84Å
56	A	98	Very high	96.8	Very high	20 Å²	20	60.6 Å²	60.6	17%	0.165	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.3	175.6	0	0	0	0	0	110.6	L64 E65 Y113 Y114	A56-L64 HydrophobicContact CB-CD2 4.22Å; A56-E65 CarbonylContact C-O 3.59Å; A56-E65 VanDerWaalsContact CA-O 3.32Å; A56-E65 WeakPolarHBondContact CA-O 3.24Å; A56-Y113 WeakPolarHBondContact O-CA 3.17Å; A56-Y114 PolarHBondContact N-O 3.33Å; A56-Y114 PolarHBondContact O-N 2.87Å
57	K	96.6	Very high	97	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.3	169.3	70.2	178.5	-147.1	170.7	0	111.8	E65 I67 F83 E108 D109 A111 I112 Y113	K57-E65 WeakPolarHBondContact CE-OE2 3.24Å; K57-E65 HydrophobicContact CG-CB 4.04Å; K57-E65 PolarHBondContact N-O 3.21Å; K57-E65 PolarHBondContact O-N 3.39Å; K57-I67 HydrophobicContact CB-CD1 4.06Å; K57-I67 HydrophobicContact CG-CD1 4.42Å; K57-I67 HydrophobicContact CG-CG1 4.5Å; K57-F83 HydrophobicContact CD-CE1 3.77Å; K57-F83 HydrophobicContact CD-CZ 3.7Å; K57-F83 HydrophobicContact CG-CZ 4.19Å; K57-E108 PolarHBondContact NZ-O 3Å; K57-D109 IonicContact NZ-OD1 2.69Å; K57-A111 HydrophobicContact CB-CB 4.11Å; K57-I112 CarbonylContact C-O 3.58Å; K57-I112 WeakPolarHBondContact CA-O 3.47Å; K57-Y113 HydrophobicContact CB-CD1 3.84Å; K57-Y113 HydrophobicContact CB-CE1 3.75Å; K57-Y113 HydrophobicContact CB-CG 4.48Å; K57-Y113 HydrophobicContact CD-CE1 4.36Å
58	Q	97.4	Very high	97.1	Very high	65 Å²	65	55 Å²	55	30%	0.304	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.4	172.6	-169.5	177.9	28.4	0	0	109.6	L64 A111 I112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.91Å; Q58-L64 HydrophobicContact CG-CD2 4.47Å; Q58-A111 WeakPolarHBondContact O-CA 3.5Å; Q58-A111 WeakPolarHBondContact O-CB 3.36Å; Q58-I112 PolarHBondContact N-O 3.32Å; Q58-I112 PolarHBondContact O-N 3.26Å; Q58-Y114 HydrophobicContact CB-CE2 3.94Å; Q58-Y114 PolarHBondContact OE1-OH 2.96Å
59	R	95.7	Very high	97.1	Very high	72 Å²	72	56.2 Å²	56.2	27%	0.272	31%	0.314	S	S	.	.			trans	-86.7	148	170.3	-71.3	-174.7	-72.9	163.3	-2.5	109.8	G61 H62 E108 A111	R59-G61 PolarHBondContact O-N 2.98Å; R59-H62 HydrophobicContact CB-CB 4.05Å; R59-H62 PolarHBondContact O-N 2.86Å; R59-E108 WeakPolarHBondContact CD-O 3.5Å; R59-A111 HydrophobicContact CG-CB 3.98Å
60	P	93.6	Very high	97.1	Very high	115 Å²	115	54.5 Å²	54.5	75%	0.747	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	126	172.4	-25.7	34.7	0	0	0	111	H62	P60-H62 VanDerWaalsContact C-N 3.29Å; P60-H62 PolarHBondContact O-CD2 2.88Å; P60-H62 PolarHBondContact O-N 3.31Å
61	G	94.8	Very high	97.2	Very high	90 Å²	90	53.2 Å²	53.2	93%	0.928	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	2	-178.7	0	0	0	0	0	116	R59	R59-G61 PolarHBondContact O-N 2.98Å
62	H	94.2	Very high	97.2	Very high	104 Å²	104	48.4 Å²	48.4	48%	0.481	27%	0.274	S	S	.	.	S	Bend	trans	-116.2	159.4	176.6	-66.2	-93	0	0	0	112	R59 P60	R59-H62 HydrophobicContact CB-CB 4.05Å; R59-H62 PolarHBondContact O-N 2.86Å; P60-H62 VanDerWaalsContact C-N 3.29Å; P60-H62 PolarHBondContact O-CD2 2.88Å; P60-H62 PolarHBondContact O-N 3.31Å
63	G	94.7	Very high	97.2	Very high	59 Å²	59	45 Å²	45	61%	0.608	27%	0.269	S	S	*	.			trans	-67.1	172.8	171.8	0	0	0	0	0	113.2
64	L	96.9	Very high	97.1	Very high	115 Å²	115	46.9 Å²	46.9	60%	0.602	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	133	170.9	-77.1	163.7	0	0	0	110.1	A56 Q58 Y114	A56-L64 HydrophobicContact CB-CD2 4.22Å; Q58-L64 HydrophobicContact CB-CD2 3.91Å; Q58-L64 HydrophobicContact CG-CD2 4.47Å; L64-Y114 HydrophobicContact CD2-CD2 3.84Å; L64-Y114 HydrophobicContact CD2-CE2 4.12Å
65	E	97.5	Very high	97.1	Very high	46 Å²	46	48.3 Å²	48.3	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.1	176.2	-170.5	175.5	-159.2	0	0	108.9	A56 K57 K82 F83	A56-E65 CarbonylContact C-O 3.59Å; A56-E65 VanDerWaalsContact CA-O 3.32Å; A56-E65 WeakPolarHBondContact CA-O 3.24Å; K57-E65 WeakPolarHBondContact CE-OE2 3.24Å; K57-E65 HydrophobicContact CG-CB 4.04Å; K57-E65 PolarHBondContact N-O 3.21Å; K57-E65 PolarHBondContact O-N 3.39Å; E65-K82 VanDerWaalsContact CD-NZ 3.28Å; E65-K82 WeakPolarHBondContact OE1-CD 3.39Å; E65-K82 WeakPolarHBondContact OE1-CE 3.48Å; E65-K82 IonicContact OE1-NZ 3.2Å; E65-K82 PolarHBondContact OE1-NZ 3.18Å; E65-K82 IonicContact OE2-NZ 2.87Å; E65-K82 PolarHBondContact OE2-NZ 2.89Å; E65-F83 HydrophobicContact CG-CE2 3.83Å; E65-F83 HydrophobicContact CG-CZ 4.01Å
66	W	98	Very high	97.1	Very high	104 Å²	104	55.6 Å²	55.6	39%	0.394	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.9	178.7	-178.9	79.6	0	0	0	110.7	G68 D69 N78 Y79 N80	W66-G68 PolarHBondContact NE1-O 3.02Å; W66-D69 HydrophobicContact CZ2-CB 4.24Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.48Å; W66-N78 HydrophobicContact CH2-CB 3.95Å; W66-N78 HydrophobicContact CZ2-CB 4.37Å; W66-Y79 VanDerWaalsContact CZ3-C 3.46Å; W66-N80 HydrophobicContact CE3-CB 3.66Å; W66-N80 HydrophobicContact CZ3-CB 3.82Å; W66-N80 VanDerWaalsContact O-CB 3.26Å; W66-N80 WeakPolarHBondContact O-CB 3.26Å; W66-N80 PolarHBondContact O-ND2 3.42Å
67	I	98.1	Very high	97.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-47	-178.2	-65.2	170.3	0	0	0	110.8	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.23Å; W55-I67 WeakPolarHBondContact O-CB 3.13Å; W55-I67 PolarHBondContact O-N 3.42Å; K57-I67 HydrophobicContact CB-CD1 4.06Å; K57-I67 HydrophobicContact CG-CD1 4.42Å; K57-I67 HydrophobicContact CG-CG1 4.5Å; I67-N80 PolarHBondContact O-N 3.41Å; I67-F83 HydrophobicContact CB-CD2 4.19Å; I67-F83 HydrophobicContact CB-CG 4.33Å; I67-F83 HydrophobicContact CG1-CD1 4.33Å; I67-F83 HydrophobicContact CG1-CD2 4.06Å; I67-F83 HydrophobicContact CG1-CE1 4.29Å; I67-F83 HydrophobicContact CG1-CE2 4.01Å; I67-F83 HydrophobicContact CG1-CG 4.2Å; I67-F83 HydrophobicContact CG1-CZ 4.11Å; I67-F83 HydrophobicContact CG2-CB 3.84Å; I67-F83 HydrophobicContact CG2-CD1 4.46Å; I67-F83 HydrophobicContact CG2-CD2 4.26Å; I67-F83 HydrophobicContact CG2-CG 3.94Å; I67-A87 HydrophobicContact CG2-CB 3.74Å; I67-M100 HydrophobicContact CB-SD 4.48Å; I67-M100 HydrophobicContact CD1-CE 3.79Å; I67-M100 HydrophobicContact CD1-SD 3.77Å; I67-M100 HydrophobicContact CG2-SD 3.8Å; I67-Y113 HydrophobicContact CD1-CD1 3.76Å; I67-Y113 HydrophobicContact CD1-CE1 3.73Å
68	G	98.4	Very high	97.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	174.8	-170.2	0	0	0	0	0	111.6	W55 W66 N78	W55-G68 PolarHBondContact N-O 2.78Å; W66-G68 PolarHBondContact NE1-O 3.02Å; G68-N78 CarbonylContact C-O 3.58Å; G68-N78 WeakPolarHBondContact CA-O 3.46Å
69	D	98.6	Very high	97.2	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.16	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.8	171.7	57.5	35.6	0	0	0	111.7	W52 I53 W66 T77 N78 L89	W52-D69 HydrophobicContact CE3-CB 3.97Å; W52-D69 VanDerWaalsContact CE3-CG 3.49Å; W52-D69 WeakPolarHBondContact CZ3-OD1 3.41Å; I53-D69 VanDerWaalsContact O-CA 3.24Å; I53-D69 WeakPolarHBondContact O-CA 3.36Å; I53-D69 WeakPolarHBondContact O-CB 3.42Å; W66-D69 HydrophobicContact CZ2-CB 4.24Å; W66-D69 WeakPolarHBondContact CZ2-OD2 3.48Å; D69-T77 CarbonylContact O-C 3.53Å; D69-T77 VanDerWaalsContact O-CA 3.25Å; D69-T77 WeakPolarHBondContact O-CA 3.44Å; D69-N78 PolarHBondContact N-O 2.84Å; D69-N78 PolarHBondContact O-N 2.79Å; D69-N78 VanDerWaalsContact OD1-CB 3.27Å; D69-N78 WeakPolarHBondContact OD1-CB 3.2Å; D69-N78 PolarHBondContact OD1-N 2.83Å; D69-N78 PolarHBondContact OD1-ND2 2.84Å; D69-L89 WeakPolarHBondContact O-CD1 3.22Å
70	I	98.7	Very high	97.3	Very high	6 Å²	6	59 Å²	59	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.7	173.9	-176.6	165.9	0	0	0	109.8	W52 I53 P72 Y76 T77 L89 T90 A91 A98	W52-I70 CarbonylContact C-O 3.58Å; W52-I70 WeakPolarHBondContact CA-O 3.29Å; I53-I70 HydrophobicContact CB-CG2 4.11Å; I53-I70 PolarHBondContact N-O 2.69Å; I53-I70 PolarHBondContact O-N 3.02Å; I70-P72 WeakPolarHBondContact O-CD 3.19Å; I70-Y76 CarbonylContact C-O 3.53Å; I70-Y76 WeakPolarHBondContact CA-O 3.37Å; I70-T77 HydrophobicContact CB-CG2 4.15Å; I70-T77 HydrophobicContact CD1-CG2 4.06Å; I70-T77 HydrophobicContact CG1-CG2 3.94Å; I70-L89 HydrophobicContact CB-CB 4.16Å; I70-T90 VanDerWaalsContact CD1-C 3.44Å; I70-A91 HydrophobicContact CD1-CB 3.86Å; I70-A98 HydrophobicContact CG2-CB 4.36Å
71	Y	98.6	Very high	97.5	Very high	66 Å²	66	59.7 Å²	59.7	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	101.2	167.7	-176.8	-119.2	0	0	0	109	W52 G73 G74 G75 Y76	W52-Y71 HydrophobicContact CD2-CD2 4.28Å; W52-Y71 HydrophobicContact CD2-CG 4.36Å; W52-Y71 HydrophobicContact CG-CD2 4.3Å; W52-Y71 HydrophobicContact CZ2-CG 4.21Å; W52-Y71 AromaticContact NE1-CD2 3.97Å; Y71-G73 VanDerWaalsContact C-N 3.26Å; Y71-G73 PolarHBondContact O-N 2.8Å; Y71-G74 PolarHBondContact O-N 3.24Å; Y71-G75 WeakPolarHBondContact O-CA 3.37Å; Y71-G75 PolarHBondContact O-N 2.88Å; Y71-Y76 AromaticContact CD1-CD2 3.94Å; Y71-Y76 HydrophobicContact CD1-CD2 3.94Å; Y71-Y76 PolarHBondContact N-O 2.85Å
72	P	98.4	Very high	97.5	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.013	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.5	-171.7	-21.4	33.8	0	0	0	112.3	F48 Y51 I53 I70 G74 A91 K93	F48-P72 HydrophobicContact CD1-CB 3.96Å; F48-P72 HydrophobicContact CD1-CG 4.15Å; F48-P72 HydrophobicContact CD2-CG 4.4Å; F48-P72 HydrophobicContact CE1-CB 3.51Å; F48-P72 HydrophobicContact CE1-CG 3.63Å; F48-P72 HydrophobicContact CE2-CG 3.93Å; F48-P72 HydrophobicContact CZ-CB 3.92Å; F48-P72 HydrophobicContact CZ-CG 3.51Å; Y51-P72 WeakPolarHBondContact O-CD 3.46Å; I53-P72 HydrophobicContact CG1-CG 4.18Å; I70-P72 WeakPolarHBondContact O-CD 3.19Å; P72-G74 PolarHBondContact O-N 3.5Å; P72-A91 HydrophobicContact CB-CB 3.85Å; P72-A91 HydrophobicContact CG-CB 4.17Å; P72-K93 WeakPolarHBondContact O-CE 3.32Å; P72-K93 PolarHBondContact O-NZ 2.96Å
73	G	98	Very high	97.6	Very high	27 Å²	27	55.8 Å²	55.8	28%	0.278	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-53	179.7	0	0	0	0	0	113.2	T49 Y71 K93	T49-G73 WeakPolarHBondContact O-CA 3.44Å; T49-G73 PolarHBondContact O-N 2.76Å; T49-G73 VanDerWaalsContact O-N 3.07Å; Y71-G73 VanDerWaalsContact C-N 3.26Å; Y71-G73 PolarHBondContact O-N 2.8Å; G73-K93 PolarHBondContact O-NZ 2.87Å
74	G	97.3	Very high	97.6	Very high	40 Å²	40	58.8 Å²	58.8	41%	0.412	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-13.3	-178.6	0	0	0	0	0	115.5	Y71 P72 Y76	Y71-G74 PolarHBondContact O-N 3.24Å; P72-G74 PolarHBondContact O-N 3.5Å; G74-Y76 VanDerWaalsContact C-N 3.26Å; G74-Y76 PolarHBondContact O-N 2.96Å
75	G	96.9	Very high	97.5	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.5	-174.3	0	0	0	0	0	114.4	Y71	Y71-G75 WeakPolarHBondContact O-CA 3.37Å; Y71-G75 PolarHBondContact O-N 2.88Å
76	Y	98.2	Very high	97.5	Very high	154 Å²	154	57 Å²	57	60%	0.604	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.6	177.2	-55.7	-62.8	0	0	0	110.9	I70 Y71 G74	I70-Y76 CarbonylContact C-O 3.53Å; I70-Y76 WeakPolarHBondContact CA-O 3.37Å; Y71-Y76 AromaticContact CD1-CD2 3.94Å; Y71-Y76 HydrophobicContact CD1-CD2 3.94Å; Y71-Y76 PolarHBondContact N-O 2.85Å; G74-Y76 VanDerWaalsContact C-N 3.26Å; G74-Y76 PolarHBondContact O-N 2.96Å
77	T	98.4	Very high	97.4	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.313	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.8	178.2	56.2	0	0	0	0	110.8	D69 I70 Y79 L89	D69-T77 CarbonylContact O-C 3.53Å; D69-T77 VanDerWaalsContact O-CA 3.25Å; D69-T77 WeakPolarHBondContact O-CA 3.44Å; I70-T77 HydrophobicContact CB-CG2 4.15Å; I70-T77 HydrophobicContact CD1-CG2 4.06Å; I70-T77 HydrophobicContact CG1-CG2 3.94Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.36Å; T77-L89 HydrophobicContact CG2-CB 4.13Å
78	N	98.3	Very high	97.4	Very high	77 Å²	77	55.3 Å²	55.3	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.6	165.9	-53	-62.8	0	0	0	109.8	W52 W66 G68 D69	W52-N78 WeakPolarHBondContact CH2-ND2 3.33Å; W52-N78 WeakPolarHBondContact CZ3-ND2 3.48Å; W66-N78 HydrophobicContact CH2-CB 3.95Å; W66-N78 HydrophobicContact CZ2-CB 4.37Å; G68-N78 CarbonylContact C-O 3.58Å; G68-N78 WeakPolarHBondContact CA-O 3.46Å; D69-N78 PolarHBondContact N-O 2.84Å; D69-N78 PolarHBondContact O-N 2.79Å; D69-N78 VanDerWaalsContact OD1-CB 3.27Å; D69-N78 WeakPolarHBondContact OD1-CB 3.2Å; D69-N78 PolarHBondContact OD1-N 2.83Å; D69-N78 PolarHBondContact OD1-ND2 2.84Å
79	Y	98.4	Very high	97.4	Very high	57 Å²	57	55.7 Å²	55.7	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147	179.1	-66.4	-89.3	0	0	0	110	W66 T77 A87 L89	W66-Y79 VanDerWaalsContact CZ3-C 3.46Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.36Å; Y79-A87 HydrophobicContact CE1-CB 4.41Å; Y79-A87 WeakPolarHBondContact CE1-O 3.4Å; Y79-L89 HydrophobicContact CE1-CD1 4.15Å; Y79-L89 HydrophobicContact CE1-CG 3.77Å; Y79-L89 PolarHBondContact OH-N 2.81Å
80	N	97.7	Very high	97.4	Very high	48 Å²	48	57.1 Å²	57.1	26%	0.257	32%	0.32	S	S	.	.			trans	-71.2	132.4	156	174.6	-21.9	0	0	0	107.9	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.66Å; W66-N80 HydrophobicContact CZ3-CB 3.82Å; W66-N80 VanDerWaalsContact O-CB 3.26Å; W66-N80 WeakPolarHBondContact O-CB 3.26Å; W66-N80 PolarHBondContact O-ND2 3.42Å; I67-N80 PolarHBondContact O-N 3.41Å; N80-K82 PolarHBondContact O-N 2.95Å; N80-K82 WeakPolarHBondContact OD1-CB 3.38Å; N80-K82 PolarHBondContact OD1-N 3.42Å; N80-F83 HydrophobicContact CB-CD2 3.96Å; N80-F83 PolarHBondContact O-N 3.29Å; N80-K84 PolarHBondContact O-N 2.92Å
81	E	97.2	Very high	97.4	Very high	131 Å²	131	58.5 Å²	58.5	61%	0.612	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.8	-176.7	-69.7	-62.1	143.5	0	0	112.9	F83 K84	E81-F83 VanDerWaalsContact C-N 3.26Å; E81-F83 PolarHBondContact O-N 2.87Å; E81-K84 PolarHBondContact O-N 3.2Å; E81-K84 IonicContact OE1-NZ 3.92Å; E81-K84 PolarHBondContact OE1-NZ 3.05Å; E81-K84 WeakPolarHBondContact OE2-CD 3.46Å; E81-K84 IonicContact OE2-NZ 3.02Å; E81-K84 PolarHBondContact OE2-NZ 2.89Å
82	K	95.3	Very high	97.4	Very high	110 Å²	110	58.3 Å²	58.3	48%	0.478	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.9	175.6	-174.3	-175.7	176.8	-179.5	0	113.8	E65 N80	E65-K82 VanDerWaalsContact CD-NZ 3.28Å; E65-K82 WeakPolarHBondContact OE1-CD 3.39Å; E65-K82 WeakPolarHBondContact OE1-CE 3.48Å; E65-K82 IonicContact OE1-NZ 3.2Å; E65-K82 PolarHBondContact OE1-NZ 3.18Å; E65-K82 IonicContact OE2-NZ 2.87Å; E65-K82 PolarHBondContact OE2-NZ 2.89Å; N80-K82 PolarHBondContact O-N 2.95Å; N80-K82 WeakPolarHBondContact OD1-CB 3.38Å; N80-K82 PolarHBondContact OD1-N 3.42Å
83	F	96.4	Very high	97.4	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.009	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-5.9	-176	-60	-76.1	0	0	0	113.3	K57 E65 I67 N80 E81 G85 K86 A87 F102	K57-F83 HydrophobicContact CD-CE1 3.77Å; K57-F83 HydrophobicContact CD-CZ 3.7Å; K57-F83 HydrophobicContact CG-CZ 4.19Å; E65-F83 HydrophobicContact CG-CE2 3.83Å; E65-F83 HydrophobicContact CG-CZ 4.01Å; I67-F83 HydrophobicContact CB-CD2 4.19Å; I67-F83 HydrophobicContact CB-CG 4.33Å; I67-F83 HydrophobicContact CG1-CD1 4.33Å; I67-F83 HydrophobicContact CG1-CD2 4.06Å; I67-F83 HydrophobicContact CG1-CE1 4.29Å; I67-F83 HydrophobicContact CG1-CE2 4.01Å; I67-F83 HydrophobicContact CG1-CG 4.2Å; I67-F83 HydrophobicContact CG1-CZ 4.11Å; I67-F83 HydrophobicContact CG2-CB 3.84Å; I67-F83 HydrophobicContact CG2-CD1 4.46Å; I67-F83 HydrophobicContact CG2-CD2 4.26Å; I67-F83 HydrophobicContact CG2-CG 3.94Å; N80-F83 HydrophobicContact CB-CD2 3.96Å; N80-F83 PolarHBondContact O-N 3.29Å; E81-F83 VanDerWaalsContact C-N 3.26Å; E81-F83 PolarHBondContact O-N 2.87Å; F83-G85 PolarHBondContact O-N 3.01Å; F83-K86 PolarHBondContact O-N 2.65Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.02Å; F83-F102 AromaticContact CD1-CE2 3.68Å; F83-F102 HydrophobicContact CD1-CE2 3.68Å; F83-F102 AromaticContact CD1-CZ 3.68Å; F83-F102 HydrophobicContact CD1-CZ 3.68Å; F83-F102 HydrophobicContact CE1-CE2 4.24Å; F83-F102 AromaticContact CE1-CZ 3.98Å; F83-F102 HydrophobicContact CE1-CZ 3.98Å
84	K	95.3	Very high	97.4	Very high	122 Å²	122	67.7 Å²	67.7	53%	0.53	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-59.4	126.2	175.3	-163.7	176.4	-169.9	172.4	0	109.6	N80 E81 K86	N80-K84 PolarHBondContact O-N 2.92Å; E81-K84 PolarHBondContact O-N 3.2Å; E81-K84 IonicContact OE1-NZ 3.92Å; E81-K84 PolarHBondContact OE1-NZ 3.05Å; E81-K84 WeakPolarHBondContact OE2-CD 3.46Å; E81-K84 IonicContact OE2-NZ 3.02Å; E81-K84 PolarHBondContact OE2-NZ 2.89Å; K84-K86 PolarHBondContact O-N 2.85Å
85	G	94.5	Very high	97.4	Very high	73 Å²	73	67.6 Å²	67.6	75%	0.753	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-17.1	-174.7	0	0	0	0	0	115.1	F83	F83-G85 PolarHBondContact O-N 3.01Å
86	K	96.2	Very high	97.5	Very high	49 Å²	49	67 Å²	67	21%	0.213	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-43.4	173.8	-162.7	172.7	-167.5	-176.1	0	112.2	F83 K84 F102 S103 D109	F83-K86 PolarHBondContact O-N 2.65Å; K84-K86 PolarHBondContact O-N 2.85Å; K86-F102 HydrophobicContact CD-CD1 4.31Å; K86-F102 HydrophobicContact CD-CE1 3.47Å; K86-F102 VanDerWaalsContact CD-CE1 3.47Å; K86-F102 HydrophobicContact CD-CZ 3.63Å; K86-F102 HydrophobicContact CG-CD1 4.08Å; K86-F102 HydrophobicContact CG-CE1 3.68Å; K86-F102 HydrophobicContact CG-CE2 4.38Å; K86-F102 HydrophobicContact CG-CZ 3.85Å; K86-S103 WeakPolarHBondContact CG-O 2.98Å; K86-S103 PolarHBondContact O-N 2.85Å; K86-S103 PolarHBondContact O-OG 3.02Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 IonicContact NZ-OD1 2.82Å; K86-D109 PolarHBondContact NZ-OD1 3.48Å; K86-D109 IonicContact NZ-OD2 2.61Å; K86-D109 PolarHBondContact NZ-OD2 3.41Å
87	A	97.4	Very high	97.5	Very high	3 Å²	3	60 Å²	60	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.1	174.1	0	0	0	0	0	110.9	I67 Y79 F83 M100 Q101 F102	I67-A87 HydrophobicContact CG2-CB 3.74Å; Y79-A87 HydrophobicContact CE1-CB 4.41Å; Y79-A87 WeakPolarHBondContact CE1-O 3.4Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.02Å; A87-M100 HydrophobicContact CB-CG 4.4Å; A87-M100 HydrophobicContact CB-SD 4.29Å; A87-Q101 CarbonylContact C-O 3.52Å; A87-Q101 WeakPolarHBondContact CA-O 3.27Å; A87-F102 HydrophobicContact CB-CD2 3.8Å; A87-F102 HydrophobicContact CB-CE2 3.96Å
88	T	98.1	Very high	97.5	Very high	66 Å²	66	57.6 Å²	57.6	41%	0.405	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.5	170.3	-58.7	0	0	0	0	108.8	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.34Å; T88-M100 WeakPolarHBondContact O-CA 3Å; T88-Q101 PolarHBondContact N-O 3.43Å; T88-Q101 PolarHBondContact O-N 3.17Å
89	L	98.5	Very high	97.5	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.6	-179.9	-53.9	-175.9	0	0	0	110.3	W55 D69 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.1Å; D69-L89 WeakPolarHBondContact O-CD1 3.22Å; I70-L89 HydrophobicContact CB-CB 4.16Å; T77-L89 HydrophobicContact CG2-CB 4.13Å; Y79-L89 HydrophobicContact CE1-CD1 4.15Å; Y79-L89 HydrophobicContact CE1-CG 3.77Å; Y79-L89 PolarHBondContact OH-N 2.81Å; L89-Y99 WeakPolarHBondContact CA-O 3Å; L89-M100 HydrophobicContact CD2-CB 3.71Å; L89-M100 HydrophobicContact CD2-CG 3.6Å; L89-M100 HydrophobicContact CD2-SD 4.06Å
90	T	98.4	Very high	97.5	Very high	61 Å²	61	53.9 Å²	53.9	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	164.1	177.1	57.6	0	0	0	0	110.4	I70 T88 A98 Y99	I70-T90 VanDerWaalsContact CD1-C 3.44Å; T88-T90 HydrophobicContact CG2-CG2 4.34Å; T90-A98 CarbonylContact O-C 3.51Å; T90-A98 WeakPolarHBondContact O-CA 3.27Å; T90-Y99 PolarHBondContact N-O 2.82Å; T90-Y99 PolarHBondContact O-N 2.84Å
91	A	98.5	Very high	97.5	Very high	35 Å²	35	55.6 Å²	55.6	29%	0.289	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	135.9	177	0	0	0	0	0	111.3	F48 I70 P72 T97	F48-A91 HydrophobicContact CE1-CB 4.11Å; F48-A91 HydrophobicContact CZ-CB 4.07Å; I70-A91 HydrophobicContact CD1-CB 3.86Å; P72-A91 HydrophobicContact CB-CB 3.85Å; P72-A91 HydrophobicContact CG-CB 4.17Å; A91-T97 CarbonylContact C-O 3.53Å; A91-T97 WeakPolarHBondContact CA-O 2.88Å
92	D	98.3	Very high	97.4	Very high	61 Å²	61	49.3 Å²	49.3	33%	0.326	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110	166	-177.3	-10.5	0	0	0	108.7	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.84Å; D92-S94 WeakPolarHBondContact OD1-CB 3.46Å; D92-S94 PolarHBondContact OD1-N 2.99Å; D92-S94 PolarHBondContact OD1-OG 2.03Å; D92-S94 PolarHBondContact OD2-OG 2.9Å; D92-S95 WeakPolarHBondContact CB-OG 3.36Å; D92-S95 PolarHBondContact OD1-N 3.43Å; D92-S95 PolarHBondContact OD2-OG 2.81Å; D92-S96 PolarHBondContact O-N 2.87Å; D92-T97 PolarHBondContact N-O 3.39Å; D92-T97 PolarHBondContact O-N 2.94Å; D92-Y99 HydrophobicContact CB-CE2 4.03Å
93	K	97.8	Very high	97.5	Very high	118 Å²	118	45.5 Å²	45.5	51%	0.513	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-32.2	-179.7	-60.8	177.8	176	-174.3	0	111.9	T49 P72 G73	T49-K93 HydrophobicContact CG2-CB 4.29Å; T49-K93 HydrophobicContact CG2-CD 4.41Å; T49-K93 HydrophobicContact CG2-CG 4.14Å; P72-K93 WeakPolarHBondContact O-CE 3.32Å; P72-K93 PolarHBondContact O-NZ 2.96Å; G73-K93 PolarHBondContact O-NZ 2.87Å
94	S	97.5	Very high	97.4	Very high	108 Å²	108	49.1 Å²	49.1	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-37	-174.8	73.1	0	0	0	0	111.9	D92	D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.84Å; D92-S94 WeakPolarHBondContact OD1-CB 3.46Å; D92-S94 PolarHBondContact OD1-N 2.99Å; D92-S94 PolarHBondContact OD1-OG 2.03Å; D92-S94 PolarHBondContact OD2-OG 2.9Å
95	S	97.9	Very high	97.5	Very high	38 Å²	38	43.9 Å²	43.9	27%	0.266	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.2	179	74.7	0	0	0	0	113.7	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.36Å; D92-S95 PolarHBondContact OD1-N 3.43Å; D92-S95 PolarHBondContact OD2-OG 2.81Å; S95-T97 VanDerWaalsContact C-N 3.29Å; S95-T97 PolarHBondContact O-N 3.48Å; S95-T97 PolarHBondContact O-OG1 2.8Å; S95-T97 VanDerWaalsContact OG-CB 3.22Å; S95-T97 WeakPolarHBondContact OG-CB 3.43Å; S95-T97 PolarHBondContact OG-N 3.48Å; S95-T97 PolarHBondContact OG-OG1 3.43Å
96	S	98.3	Very high	97.5	Very high	35 Å²	35	43.3 Å²	43.3	25%	0.245	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	44.7	-169.5	-63.3	0	0	0	0	112.7	A43 D92	A43-S96 PolarHBondContact N-O 2.92Å; A43-S96 WeakPolarHBondContact O-CB 3.45Å; D92-S96 PolarHBondContact O-N 2.87Å
97	T	98.7	Very high	97.4	Very high	8 Å²	8	46 Å²	46	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.7	-175.2	-51	0	0	0	0	111.1	C41 A91 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.5Å; A91-T97 CarbonylContact C-O 3.53Å; A91-T97 WeakPolarHBondContact CA-O 2.88Å; D92-T97 PolarHBondContact N-O 3.39Å; D92-T97 PolarHBondContact O-N 2.94Å; S95-T97 VanDerWaalsContact C-N 3.29Å; S95-T97 PolarHBondContact O-N 3.48Å; S95-T97 PolarHBondContact O-OG1 2.8Å; S95-T97 VanDerWaalsContact OG-CB 3.22Å; S95-T97 WeakPolarHBondContact OG-CB 3.43Å; S95-T97 PolarHBondContact OG-N 3.48Å; S95-T97 PolarHBondContact OG-OG1 3.43Å; T97-Y99 HydrophobicContact CG2-CD1 4.31Å; T97-Y99 HydrophobicContact CG2-CD2 4.24Å; T97-Y99 HydrophobicContact CG2-CE1 3.75Å; T97-Y99 HydrophobicContact CG2-CE2 3.65Å
98	A	98.7	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	147	165.1	0	0	0	0	0	109.7	S40 C41 F48 I53 W55 I70 T90	S40-A98 CarbonylContact C-O 3.48Å; S40-A98 WeakPolarHBondContact CA-O 3.38Å; C41-A98 PolarHBondContact N-O 3.22Å; C41-A98 PolarHBondContact O-N 3.39Å; F48-A98 HydrophobicContact CE2-CB 4.31Å; F48-A98 HydrophobicContact CZ-CB 4.1Å; I53-A98 HydrophobicContact CB-CB 4.11Å; I53-A98 HydrophobicContact CG1-CB 4.23Å; I53-A98 HydrophobicContact CG2-CB 3.8Å; W55-A98 HydrophobicContact CZ2-CB 4.27Å; I70-A98 HydrophobicContact CG2-CB 4.36Å; T90-A98 CarbonylContact O-C 3.51Å; T90-A98 WeakPolarHBondContact O-CA 3.27Å
99	Y	98.6	Very high	97	Very high	56 Å²	56	49.5 Å²	49.5	22%	0.22	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.7	175.9	-58.3	-91.3	0	0	0	110.4	K38 M39 S40 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.4Å; K38-Y99 VanDerWaalsContact CE-CD1 3.48Å; K38-Y99 HydrophobicContact CG-CD1 4.32Å; M39-Y99 VanDerWaalsContact O-CA 3.24Å; M39-Y99 WeakPolarHBondContact O-CA 3.25Å; S40-Y99 VanDerWaalsContact CB-CE1 3.49Å; L89-Y99 WeakPolarHBondContact CA-O 3Å; T90-Y99 PolarHBondContact N-O 2.82Å; T90-Y99 PolarHBondContact O-N 2.84Å; D92-Y99 HydrophobicContact CB-CE2 4.03Å; T97-Y99 HydrophobicContact CG2-CD1 4.31Å; T97-Y99 HydrophobicContact CG2-CD2 4.24Å; T97-Y99 HydrophobicContact CG2-CE1 3.75Å; T97-Y99 HydrophobicContact CG2-CE2 3.65Å
100	M	98	Very high	96.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122	163.9	179.7	174.6	79.1	0	0	108.6	K38 M39 W55 I67 A87 T88 L89 F102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.37Å; M39-M100 HydrophobicContact CE-CE 3.27Å; M39-M100 HydrophobicContact CG-CB 3.78Å; M39-M100 HydrophobicContact CG-CE 4.23Å; M39-M100 WeakPolarHBondContact CG-O 3.37Å; M39-M100 PolarHBondContact N-O 2.99Å; M39-M100 PolarHBondContact O-N 2.93Å; M39-M100 HydrophobicContact SD-CB 4.21Å; M39-M100 HydrophobicContact SD-CE 3.24Å; M39-M100 WeakPolarHBondContact SD-CE 3.11Å; W55-M100 HydrophobicContact CB-SD 3.98Å; W55-M100 HydrophobicContact CD2-CB 3.78Å; W55-M100 HydrophobicContact CD2-SD 4.27Å; W55-M100 HydrophobicContact CE3-CB 4.07Å; W55-M100 HydrophobicContact CE3-CE 4.33Å; W55-M100 HydrophobicContact CE3-SD 4.44Å; W55-M100 HydrophobicContact CG-CB 4.25Å; W55-M100 HydrophobicContact CG-SD 4.1Å; W55-M100 HydrophobicContact CH2-CB 4.27Å; W55-M100 HydrophobicContact CZ2-CB 4.01Å; W55-M100 HydrophobicContact CZ3-CB 4.32Å; I67-M100 HydrophobicContact CB-SD 4.48Å; I67-M100 HydrophobicContact CD1-CE 3.79Å; I67-M100 HydrophobicContact CD1-SD 3.77Å; I67-M100 HydrophobicContact CG2-SD 3.8Å; A87-M100 HydrophobicContact CB-CG 4.4Å; A87-M100 HydrophobicContact CB-SD 4.29Å; T88-M100 WeakPolarHBondContact O-CA 3Å; L89-M100 HydrophobicContact CD2-CB 3.71Å; L89-M100 HydrophobicContact CD2-CG 3.6Å; L89-M100 HydrophobicContact CD2-SD 4.06Å; M100-F102 HydrophobicContact CE-CD2 4.17Å; M100-F102 HydrophobicContact SD-CD2 4.35Å; M100-Y113 HydrophobicContact CE-CD1 3.4Å; M100-Y113 VanDerWaalsContact CE-CD1 3.4Å; M100-Y113 HydrophobicContact CE-CE1 3.68Å; M100-Y113 HydrophobicContact CE-CG 4.31Å
101	Q	97.8	Very high	96.8	Very high	83 Å²	83	51.9 Å²	51.9	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.1	167.4	-179.2	171.8	-29.6	0	0	109	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.46Å; V37-Q101 WeakPolarHBondContact O-CA 3.02Å; A87-Q101 CarbonylContact C-O 3.52Å; A87-Q101 WeakPolarHBondContact CA-O 3.27Å; T88-Q101 PolarHBondContact N-O 3.43Å; T88-Q101 PolarHBondContact O-N 3.17Å
102	F	95.3	Very high	96.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	178.1	-147.5	-95.4	0	0	0	108.6	S36 V37 F83 K86 A87 M100 L105 D109	S36-F102 CarbonylContact C-O 3.51Å; S36-F102 WeakPolarHBondContact CA-O 3.33Å; S36-F102 WeakPolarHBondContact CB-O 3.48Å; V37-F102 HydrophobicContact CG1-CB 3.85Å; V37-F102 PolarHBondContact N-O 3.07Å; V37-F102 PolarHBondContact O-N 2.79Å; F83-F102 AromaticContact CD1-CE2 3.68Å; F83-F102 HydrophobicContact CD1-CE2 3.68Å; F83-F102 AromaticContact CD1-CZ 3.68Å; F83-F102 HydrophobicContact CD1-CZ 3.68Å; F83-F102 HydrophobicContact CE1-CE2 4.24Å; F83-F102 AromaticContact CE1-CZ 3.98Å; F83-F102 HydrophobicContact CE1-CZ 3.98Å; K86-F102 HydrophobicContact CD-CD1 4.31Å; K86-F102 HydrophobicContact CD-CE1 3.47Å; K86-F102 VanDerWaalsContact CD-CE1 3.47Å; K86-F102 HydrophobicContact CD-CZ 3.63Å; K86-F102 HydrophobicContact CG-CD1 4.08Å; K86-F102 HydrophobicContact CG-CE1 3.68Å; K86-F102 HydrophobicContact CG-CE2 4.38Å; K86-F102 HydrophobicContact CG-CZ 3.85Å; A87-F102 HydrophobicContact CB-CD2 3.8Å; A87-F102 HydrophobicContact CB-CE2 3.96Å; M100-F102 HydrophobicContact CE-CD2 4.17Å; M100-F102 HydrophobicContact SD-CD2 4.35Å; F102-L105 HydrophobicContact CB-CD2 4.47Å; F102-L105 HydrophobicContact CD1-CD2 3.41Å; F102-L105 VanDerWaalsContact CD1-CD2 3.41Å; F102-L105 HydrophobicContact CD1-CG 4.17Å; F102-L105 HydrophobicContact CE1-CD2 4.03Å; F102-L105 HydrophobicContact CG-CD2 4.34Å; F102-D109 HydrophobicContact CE1-CB 4Å; F102-D109 VanDerWaalsContact CE1-OD1 3.3Å; F102-D109 WeakPolarHBondContact CE1-OD1 3.42Å
103	S	96.3	Very high	96.7	Very high	30 Å²	30	53.4 Å²	53.4	21%	0.21	31%	0.311	C	S	.	.			trans	-107.7	157.1	-172	61	0	0	0	0	112.3	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.14Å; K86-S103 WeakPolarHBondContact CG-O 2.98Å; K86-S103 PolarHBondContact O-N 2.85Å; K86-S103 PolarHBondContact O-OG 3.02Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3Å
104	S	96	Very high	96.7	Very high	77 Å²	77	52.2 Å²	52.2	54%	0.538	30%	0.303	S	S	.	.	S	Bend	trans	50.4	51.5	175.1	-57.3	0	0	0	0	112.5	T35	T35-S104 PolarHBondContact O-N 3.1Å
105	L	96.1	Very high	96.7	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.063	27%	0.272	C	S	.	.			trans	-59.8	144.7	-175.8	-77.7	158.1	0	0	0	112.3	V31 P33 G34 T35 V37 F102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.32Å; V31-L105 HydrophobicContact CG2-CD1 3.57Å; P33-L105 CarbonylContact C-O 3.58Å; P33-L105 WeakPolarHBondContact CA-O 3.35Å; G34-L105 PolarHBondContact N-O 3.05Å; T35-L105 PolarHBondContact O-N 2.89Å; V37-L105 HydrophobicContact CB-CD1 3.85Å; V37-L105 HydrophobicContact CG1-CD1 3.51Å; V37-L105 HydrophobicContact CG1-CD2 4.35Å; V37-L105 HydrophobicContact CG1-CG 4.39Å; F102-L105 HydrophobicContact CB-CD2 4.47Å; F102-L105 HydrophobicContact CD1-CD2 3.41Å; F102-L105 VanDerWaalsContact CD1-CD2 3.41Å; F102-L105 HydrophobicContact CD1-CG 4.17Å; F102-L105 HydrophobicContact CE1-CD2 4.03Å; F102-L105 HydrophobicContact CG-CD2 4.34Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3Å; L105-D109 HydrophobicContact CD2-CB 3.53Å
106	T	95.5	Very high	96.7	Very high	62 Å²	62	48.5 Å²	48.5	38%	0.38	28%	0.28	S	S	.	.			trans	-125.6	170	176	65.4	0	0	0	0	109.6	E108 D109	T106-E108 PolarHBondContact O-N 3.15Å; T106-E108 PolarHBondContact OG1-N 2.84Å; T106-D109 PolarHBondContact N-OD2 2.83Å; T106-D109 WeakPolarHBondContact O-CB 3.38Å; T106-D109 PolarHBondContact O-N 3.49Å; T106-D109 PolarHBondContact OG1-OD2 2.97Å
107	S	93.7	Very high	96.4	Very high	105 Å²	105	52.8 Å²	52.8	73%	0.734	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-58.6	-27.5	173.8	50.3	0	0	0	0	112.9	D109 S110	S107-D109 PolarHBondContact O-N 3.42Å; S107-S110 WeakPolarHBondContact O-CB 3.24Å; S107-S110 PolarHBondContact O-N 3.32Å
108	E	92.6	Very high	96.3	Very high	133 Å²	133	55.1 Å²	55.1	62%	0.621	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.5	177	-59.2	-172.5	176.1	0	0	114.1	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 3Å; R59-E108 WeakPolarHBondContact CD-O 3.5Å; T106-E108 PolarHBondContact O-N 3.15Å; T106-E108 PolarHBondContact OG1-N 2.84Å
109	D	94.7	Very high	96.2	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.048	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-93	-3.8	177.1	-53.6	-60.3	0	0	0	112.4	K57 K86 F102 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.69Å; K86-D109 WeakPolarHBondContact CE-OD2 3.43Å; K86-D109 IonicContact NZ-OD1 2.82Å; K86-D109 PolarHBondContact NZ-OD1 3.48Å; K86-D109 IonicContact NZ-OD2 2.61Å; K86-D109 PolarHBondContact NZ-OD2 3.41Å; F102-D109 HydrophobicContact CE1-CB 4Å; F102-D109 VanDerWaalsContact CE1-OD1 3.3Å; F102-D109 WeakPolarHBondContact CE1-OD1 3.42Å; L105-D109 HydrophobicContact CD2-CB 3.53Å; T106-D109 PolarHBondContact N-OD2 2.83Å; T106-D109 WeakPolarHBondContact O-CB 3.38Å; T106-D109 PolarHBondContact O-N 3.49Å; T106-D109 PolarHBondContact OG1-OD2 2.97Å; S107-D109 PolarHBondContact O-N 3.42Å; D109-A111 PolarHBondContact O-N 3.01Å; D109-Y113 WeakPolarHBondContact O-CE2 3.19Å; D109-Y113 PolarHBondContact O-OH 3.14Å
110	S	95.6	Very high	96.1	Very high	93 Å²	93	58.1 Å²	58.1	65%	0.65	33%	0.325	S	S	*	.			trans	-64.5	104.7	171.2	-176.5	0	0	0	0	109.9	S107	S107-S110 WeakPolarHBondContact O-CB 3.24Å; S107-S110 PolarHBondContact O-N 3.32Å
111	A	96.6	Very high	96	Very high	27 Å²	27	61.5 Å²	61.5	22%	0.223	34%	0.344	C	S	.	.	S	Bend	trans	-156.5	165.8	-172.2	0	0	0	0	0	110.6	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CB-CB 4.11Å; Q58-A111 WeakPolarHBondContact O-CA 3.5Å; Q58-A111 WeakPolarHBondContact O-CB 3.36Å; R59-A111 HydrophobicContact CG-CB 3.98Å; D109-A111 PolarHBondContact O-N 3.01Å; A111-Y113 HydrophobicContact CB-CD2 4.37Å; A111-Y113 HydrophobicContact CB-CE2 3.92Å; A111-Y113 WeakPolarHBondContact O-CD2 3.29Å
112	I	96.8	Very high	95.8	Very high	95 Å²	95	60.1 Å²	60.1	49%	0.487	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.5	160.9	-54.1	173.2	0	0	0	107.4	K57 Q58 Y114	K57-I112 CarbonylContact C-O 3.58Å; K57-I112 WeakPolarHBondContact CA-O 3.47Å; Q58-I112 PolarHBondContact N-O 3.32Å; Q58-I112 PolarHBondContact O-N 3.26Å; I112-Y114 HydrophobicContact CB-CE2 4.02Å; I112-Y114 HydrophobicContact CG2-CD2 4.28Å; I112-Y114 HydrophobicContact CG2-CE1 3.88Å; I112-Y114 HydrophobicContact CG2-CE2 3.59Å; I112-Y114 WeakPolarHBondContact CG2-OH 3.22Å
113	Y	97.4	Very high	95.9	Very high	33 Å²	33	64.1 Å²	64.1	13%	0.129	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.9	177.8	-70.9	-96	0	0	0	109.6	Q25 M39 A56 K57 I67 M100 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.17Å; M39-Y113 HydrophobicContact CE-CD1 3.83Å; M39-Y113 HydrophobicContact CE-CD2 4.02Å; M39-Y113 HydrophobicContact CE-CE1 4.31Å; M39-Y113 HydrophobicContact CE-CG 3.64Å; M39-Y113 HydrophobicContact SD-CD1 4.26Å; M39-Y113 HydrophobicContact SD-CG 4.09Å; A56-Y113 WeakPolarHBondContact O-CA 3.17Å; K57-Y113 HydrophobicContact CB-CD1 3.84Å; K57-Y113 HydrophobicContact CB-CE1 3.75Å; K57-Y113 HydrophobicContact CB-CG 4.48Å; K57-Y113 HydrophobicContact CD-CE1 4.36Å; I67-Y113 HydrophobicContact CD1-CD1 3.76Å; I67-Y113 HydrophobicContact CD1-CE1 3.73Å; M100-Y113 HydrophobicContact CE-CD1 3.4Å; M100-Y113 VanDerWaalsContact CE-CD1 3.4Å; M100-Y113 HydrophobicContact CE-CE1 3.68Å; M100-Y113 HydrophobicContact CE-CG 4.31Å; D109-Y113 WeakPolarHBondContact O-CE2 3.19Å; D109-Y113 PolarHBondContact O-OH 3.14Å; A111-Y113 HydrophobicContact CB-CD2 4.37Å; A111-Y113 HydrophobicContact CB-CE2 3.92Å; A111-Y113 WeakPolarHBondContact O-CD2 3.29Å
114	Y	97.8	Very high	95.8	Very high	93 Å²	93	66.6 Å²	66.6	37%	0.365	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.6	-178.9	-62.6	-78.5	0	0	0	110.1	W55 A56 Q58 L64 I112	W55-Y114 WeakPolarHBondContact CA-O 3.42Å; A56-Y114 PolarHBondContact N-O 3.33Å; A56-Y114 PolarHBondContact O-N 2.87Å; Q58-Y114 HydrophobicContact CB-CE2 3.94Å; Q58-Y114 PolarHBondContact OE1-OH 2.96Å; L64-Y114 HydrophobicContact CD2-CD2 3.84Å; L64-Y114 HydrophobicContact CD2-CE2 4.12Å; I112-Y114 HydrophobicContact CB-CE2 4.02Å; I112-Y114 HydrophobicContact CG2-CD2 4.28Å; I112-Y114 HydrophobicContact CG2-CE1 3.88Å; I112-Y114 HydrophobicContact CG2-CE2 3.59Å; I112-Y114 WeakPolarHBondContact CG2-OH 3.22Å
115	C	98.1	Very high	95.8	Very high	13 Å²	13	65.8 Å²	65.8	9%	0.088	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.8	157.5	68.6	0	0	0	0	110.3	Q25 C41 I53 G54 W55	Q25-C115 HydrophobicContact CG-CB 4.36Å; Q25-C115 WeakPolarHBondContact CG-SG 3.41Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.32Å; C41-C115 WeakPolarHBondContact SG-CB 3.48Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 3.32Å; I53-C115 HydrophobicContact CG2-CB 4.32Å; G54-C115 CarbonylContact O-C 3.57Å; G54-C115 VanDerWaalsContact O-CA 3.27Å; G54-C115 WeakPolarHBondContact O-CA 3.16Å; W55-C115 HydrophobicContact CD2-CB 4.22Å; W55-C115 HydrophobicContact CE3-CB 3.97Å; W55-C115 HydrophobicContact CH2-CB 3.99Å; W55-C115 HydrophobicContact CZ2-CB 4.21Å; W55-C115 HydrophobicContact CZ3-CB 3.84Å
116	A	97.7	Very high	95.8	Very high	54 Å²	54	70.3 Å²	70.3	45%	0.446	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.8	-179.6	0	0	0	0	0	111.1	I53 G54	I53-A116 CarbonylContact C-O 3.53Å; I53-A116 WeakPolarHBondContact CA-O 3.48Å; G54-A116 PolarHBondContact N-O 3.41Å; G54-A116 PolarHBondContact O-N 3.41Å
117	R	93.4	Very high	95.8	Very high	126 Å²	126	71 Å²	71	48%	0.475	39%	0.388	S	S	.	.			trans	-131.8	0	171.4	-169.3	-156.5	86.9	-169.3	5	109	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD1-CB 4.22Å; Y46-R117 HydrophobicContact CE2-CG 4.26Å; Y51-R117 HydrophobicContact CD1-CG 4.24Å; Y51-R117 HydrophobicContact CG-CG 4.08Å; I53-R117 HydrophobicContact CD1-CB 4.27Å; I53-R117 HydrophobicContact CD1-CG 4.23Å

Retrieved 117 of 117 residues in 59.5 ms (Link to these results)

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