A0A075B5X5_MOUSE Loading...

Immunoglobulin heavy variable 1-66

AlphaFold DB , UniProt , Accession A0A075B5X5, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-66, Length 117 aa.

						>A0A075B5X5_MOUSE|A0A075B5X5|Ighv1-66
MGWSWIFLFLLSGTAGVHCQVQLQQSGPELVKPGASVKISCKASGYSFTSYYIHWVKQRPGQGLEWIGWIYPGSGNTKYNEKFKGKATLTADTSSSTAYMQLSSLTSEDSAVYYCAR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.2	Very low	57.7	Low	244 Å²	244	168.7 Å²	168.7	100%	1.202	84%	0.838	S	S	*	*				0	114.3	0	-73.8	153.2	81.1	0	0	107.4
2	G	52.2	Low	57.9	Low	77 Å²	77	164 Å²	164	79%	0.794	83%	0.834	S	S	*	*			trans	70.1	137.3	176.4	0	0	0	0	0	114
3	W	53.3	Low	58.4	Low	254 Å²	254	156.8 Å²	156.8	96%	0.962	83%	0.826	S	S	*	*			cis	-156.6	154.3	20.1	-131.6	-22.1	0	0	0	111.3
4	S	62.2	Low	58.8	Low	102 Å²	102	155.4 Å²	155.4	71%	0.713	83%	0.827	S	S	*	*			trans	-49	153.7	-172	-62.1	0	0	0	0	118.9
5	W	54.5	Low	58.9	Low	215 Å²	215	151.6 Å²	151.6	81%	0.814	83%	0.826	S	S	*	*			trans	-76	138.2	174.5	-59.9	16	0	0	0	110.6	F7	W5-F7 HydrophobicContact CB-CD2 4.32Å; W5-F7 HydrophobicContact CB-CE2 4.47Å; W5-F7 HydrophobicContact CD2-CE2 4.11Å; W5-F7 AromaticContact CE3-CD2 3.87Å; W5-F7 HydrophobicContact CE3-CD2 3.87Å; W5-F7 AromaticContact CE3-CE2 3.36Å; W5-F7 HydrophobicContact CE3-CE2 3.36Å; W5-F7 HydrophobicContact CE3-CZ 4.48Å; W5-F7 AromaticContact CZ3-CE2 3.75Å; W5-F7 HydrophobicContact CZ3-CE2 3.75Å
6	I	67.3	Low	59	Low	145 Å²	145	145.4 Å²	145.4	74%	0.744	81%	0.808	S	S	*	*			trans	-124.2	95	164.6	-65.7	167.8	0	0	0	107.1	L8	I6-L8 HydrophobicContact CG2-CD1 4.28Å; I6-L8 HydrophobicContact CG2-CG 3.92Å
7	F	62.5	Low	59.3	Low	159 Å²	159	144.7 Å²	144.7	70%	0.697	81%	0.808	S	S	*	*			trans	-88.3	100	162.8	-78	-83.3	0	0	0	107.7	W5 F9	W5-F7 HydrophobicContact CB-CD2 4.32Å; W5-F7 HydrophobicContact CB-CE2 4.47Å; W5-F7 HydrophobicContact CD2-CE2 4.11Å; W5-F7 AromaticContact CE3-CD2 3.87Å; W5-F7 HydrophobicContact CE3-CD2 3.87Å; W5-F7 AromaticContact CE3-CE2 3.36Å; W5-F7 HydrophobicContact CE3-CE2 3.36Å; W5-F7 HydrophobicContact CE3-CZ 4.48Å; W5-F7 AromaticContact CZ3-CE2 3.75Å; W5-F7 HydrophobicContact CZ3-CE2 3.75Å; F7-F9 PolarHBondContact O-N 3.05Å
8	L	59.9	Low	59.3	Low	146 Å²	146	146.1 Å²	146.1	76%	0.764	81%	0.807	S	S	*	*			trans	-75.3	102.8	169.4	-81.6	158.7	0	0	0	108.8	I6 L10	I6-L8 HydrophobicContact CG2-CD1 4.28Å; I6-L8 HydrophobicContact CG2-CG 3.92Å; L8-L10 PolarHBondContact O-N 3.29Å
9	F	59.5	Low	60.1	Low	188 Å²	188	144.3 Å²	144.3	83%	0.825	80%	0.804	S	S	*	*			trans	-79	102.5	162.2	-90.9	-87.2	0	0	0	108.7	F7 L11	F7-F9 PolarHBondContact O-N 3.05Å; F9-L11 PolarHBondContact O-N 2.78Å
10	L	56.5	Low	61.6	Low	158 Å²	158	144.1 Å²	144.1	83%	0.827	80%	0.796	S	S	*	*			trans	-76.5	100	167.5	-71.7	167.1	0	0	0	108.5	L8 S12	L8-L10 PolarHBondContact O-N 3.29Å; L10-S12 PolarHBondContact O-N 3.37Å
11	L	58.7	Low	63.1	Low	168 Å²	168	140.2 Å²	140.2	88%	0.88	78%	0.777	S	S	*	*			trans	-78.6	93.6	162.9	-85.9	156.3	0	0	0	107.9	F9 G13	F9-L11 PolarHBondContact O-N 2.78Å; L11-G13 VanDerWaalsContact C-N 3.26Å; L11-G13 PolarHBondContact O-N 3.08Å
12	S	60.5	Low	65.3	Low	112 Å²	112	132.9 Å²	132.9	78%	0.783	74%	0.74	S	S	*	*			trans	-71.6	86.4	165.6	52.7	0	0	0	0	108.8	L10 T14	L10-S12 PolarHBondContact O-N 3.37Å; S12-T14 PolarHBondContact O-N 3.48Å
13	G	63.9	Low	67.5	Low	71 Å²	71	131.5 Å²	131.5	73%	0.732	71%	0.714	S	S	*	*			trans	-75.2	98.3	168.3	0	0	0	0	0	109.8	L11 A15	L11-G13 VanDerWaalsContact C-N 3.26Å; L11-G13 PolarHBondContact O-N 3.08Å; G13-A15 PolarHBondContact O-N 3.33Å; G13-A15 VanDerWaalsContact O-N 3.15Å
14	T	63.5	Low	69.6	Low	136 Å²	136	124.7 Å²	124.7	83%	0.834	69%	0.693	S	S	*	*			trans	-71.5	104.3	163.3	48.5	0	0	0	0	107.5	S12 G16	S12-T14 PolarHBondContact O-N 3.48Å; T14-G16 PolarHBondContact O-N 2.93Å
15	A	60.7	Low	71.4	Confident	99 Å²	99	122.1 Å²	122.1	82%	0.818	67%	0.669	S	S	*	*			trans	-68.9	82.9	166.2	0	0	0	0	0	108	G13 V17	G13-A15 PolarHBondContact O-N 3.33Å; G13-A15 VanDerWaalsContact O-N 3.15Å; A15-V17 PolarHBondContact O-N 3.38Å
16	G	60.1	Low	73.4	Confident	52 Å²	52	113.8 Å²	113.8	54%	0.536	64%	0.644	S	S	.	*			trans	-63	119.8	167.4	0	0	0	0	0	108.5	T14 H18	T14-G16 PolarHBondContact O-N 2.93Å; G16-H18 VanDerWaalsContact C-N 3.33Å; G16-H18 PolarHBondContact O-N 3.44Å
17	V	64.4	Low	74.9	Confident	134 Å²	134	109.4 Å²	109.4	81%	0.812	63%	0.634	S	S	*	*			trans	-70	94.5	172.6	-174.5	0	0	0	0	107.3	A15 C19	A15-V17 PolarHBondContact O-N 3.38Å; V17-C19 PolarHBondContact O-N 2.57Å
18	H	58.7	Low	76.5	Confident	170 Å²	170	108.3 Å²	108.3	79%	0.787	64%	0.644	S	S	*	*			trans	-74.2	102.6	173.3	-83.8	-82.8	0	0	0	109.4	G16 Q20	G16-H18 VanDerWaalsContact C-N 3.33Å; G16-H18 PolarHBondContact O-N 3.44Å; H18-Q20 PolarHBondContact O-N 2.84Å
19	C	74.4	Confident	78.3	Confident	111 Å²	111	107.2 Å²	107.2	75%	0.75	64%	0.635	S	S	*	*			trans	-76.8	66.6	165.4	-67.9	0	0	0	0	109.8	V17	V17-C19 PolarHBondContact O-N 2.57Å
20	Q	90.3	Very high	80	Confident	140 Å²	140	106.6 Å²	106.6	65%	0.654	64%	0.639	S	S	*	*			trans	-85.7	125.8	175.4	-174.4	175.4	2.3	0	0	109.9	H18 Q22 G45	H18-Q20 PolarHBondContact O-N 2.84Å; Q20-Q22 PolarHBondContact O-N 3.4Å; Q20-G45 WeakPolarHBondContact O-CA 3.44Å
21	V	92.9	Very high	81.9	Confident	63 Å²	63	101.8 Å²	101.8	38%	0.382	62%	0.616	S	S	.	*			trans	-72.3	126.3	170.7	173.7	0	0	0	0	108.6	Y46	V21-Y46 HydrophobicContact CG1-CD1 3.84Å; V21-Y46 HydrophobicContact CG1-CE1 4Å; V21-Y46 HydrophobicContact CG2-CD1 4.38Å
22	Q	96.3	Very high	83.7	Confident	90 Å²	90	102 Å²	102	42%	0.421	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135	140.8	177.6	-179.2	-179.8	-8.5	0	0	110.9	Q20 A43 S44	Q20-Q22 PolarHBondContact O-N 3.4Å; Q22-A43 WeakPolarHBondContact O-CA 3.28Å; Q22-S44 PolarHBondContact N-O 2.82Å; Q22-S44 PolarHBondContact O-N 2.9Å
23	L	97.6	Very high	85.4	Confident	48 Å²	48	102.1 Å²	102.1	25%	0.251	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	113.7	169.7	-65.1	-179.9	0	0	0	107.9	K42 A43 Y46 R117	L23-K42 CarbonylContact C-O 3.55Å; L23-K42 WeakPolarHBondContact CA-O 3.35Å; L23-A43 HydrophobicContact CD2-CB 3.9Å; L23-Y46 HydrophobicContact CD2-CE1 4.19Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.49Å; L23-R117 HydrophobicContact CD1-CB 4.31Å
24	Q	98	Very high	86.9	Confident	111 Å²	111	101.3 Å²	101.3	52%	0.519	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	114.5	-179.7	-177	60.4	52.4	0	0	110	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.08Å; Q24-K42 PolarHBondContact N-O 2.87Å; Q24-K42 PolarHBondContact O-N 2.98Å
25	Q	98.4	Very high	88.6	Confident	48 Å²	48	96.5 Å²	96.5	22%	0.224	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	156.8	176.7	-71.2	-175.2	-116.5	0	0	112.7	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 WeakPolarHBondContact CA-O 3.12Å; Q25-C41 HydrophobicContact CG-CB 4.24Å; Q25-Y113 PolarHBondContact NE2-O 2.83Å; Q25-Y113 PolarHBondContact OE1-O 2.95Å; Q25-C115 HydrophobicContact CG-CB 4.49Å; Q25-C115 WeakPolarHBondContact CG-SG 3.39Å
26	S	97.9	Very high	90.3	Very high	40 Å²	40	94.8 Å²	94.8	28%	0.28	56%	0.556	S	S	.	*			trans	-60.3	160.3	165.2	52	0	0	0	0	111.1	I39 S40	S26-I39 WeakPolarHBondContact OG-CG2 3.14Å; S26-S40 WeakPolarHBondContact CB-OG 3.43Å; S26-S40 PolarHBondContact N-O 2.98Å; S26-S40 PolarHBondContact OG-N 2.86Å
27	G	97.5	Very high	92.1	Very high	53 Å²	53	93.1 Å²	93.1	55%	0.546	54%	0.535	S	S	.	.			trans	-67.1	178.7	-179.7	0	0	0	0	0	114.3
28	P	97.3	Very high	93.8	Very high	137 Å²	137	91.9 Å²	91.9	89%	0.89	52%	0.519	S	S	*	.			trans	-64.6	144.5	175.4	28.9	-34.8	0	0	0	111.1
29	E	96.7	Very high	95.6	Very high	123 Å²	123	84.7 Å²	84.7	58%	0.575	49%	0.486	S	S	*	.			trans	-122.7	130.6	-178.1	-71.7	-73.4	176.1	0	0	109.7	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.46Å; E29-V37 HydrophobicContact CB-CG2 3.71Å; E29-V37 HydrophobicContact CG-CG2 3.62Å
30	L	96.4	Very high	96.8	Very high	175 Å²	175	81 Å²	81	92%	0.916	46%	0.461	S	S	*	.			trans	-108.7	115.9	171.2	-177.4	66.8	0	0	0	108.8
31	V	95.4	Very high	97.2	Very high	57 Å²	57	74.3 Å²	74.3	35%	0.345	43%	0.43	S	S	.	.			trans	-127.4	148.6	-172.1	-64.5	0	0	0	0	111.2	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.46Å; V31-A35 HydrophobicContact CB-CB 4.42Å; V31-V37 HydrophobicContact CG1-CB 4.22Å; V31-V37 HydrophobicContact CG1-CG2 4.24Å; V31-L105 HydrophobicContact CB-CD1 4.46Å; V31-L105 HydrophobicContact CG2-CD1 3.54Å
32	K	96.1	Very high	97.5	Very high	172 Å²	172	77 Å²	77	75%	0.748	44%	0.437	S	S	*	.			trans	-75.1	149.7	174.9	-64.6	-179.5	-178.4	178.5	0	110.2	G34 A35	K32-G34 PolarHBondContact O-N 3.2Å; K32-A35 WeakPolarHBondContact O-CB 3.5Å; K32-A35 PolarHBondContact O-N 3.19Å; K32-A35 VanDerWaalsContact O-N 3.08Å
33	P	96.1	Very high	97.5	Very high	114 Å²	114	73 Å²	73	74%	0.74	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	140.2	169.3	-25.4	34.7	0	0	0	111.7	A35 L105	P33-A35 PolarHBondContact O-N 3.24Å; P33-L105 CarbonylContact C-O 3.54Å; P33-L105 WeakPolarHBondContact CA-O 3.33Å
34	G	97.2	Very high	97.5	Very high	54 Å²	54	73.4 Å²	73.4	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-14.5	-175.1	0	0	0	0	0	114.8	K32 L105	K32-G34 PolarHBondContact O-N 3.2Å; G34-L105 PolarHBondContact N-O 3.37Å
35	A	97.9	Very high	97.4	Very high	36 Å²	36	70.3 Å²	70.3	30%	0.298	42%	0.424	S	S	.	.			trans	-72.4	171.2	176.4	0	0	0	0	0	112.1	V31 K32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.42Å; K32-A35 WeakPolarHBondContact O-CB 3.5Å; K32-A35 PolarHBondContact O-N 3.19Å; K32-A35 VanDerWaalsContact O-N 3.08Å; P33-A35 PolarHBondContact O-N 3.24Å; A35-S104 PolarHBondContact O-N 3Å; A35-L105 WeakPolarHBondContact O-CG 3.38Å; A35-L105 PolarHBondContact O-N 3.3Å
36	S	97.7	Very high	97.1	Very high	63 Å²	63	69.9 Å²	69.9	44%	0.441	42%	0.42	S	S	.	.			trans	-114.6	151.8	171.7	-56.9	0	0	0	0	110.3	L102 S103	S36-L102 CarbonylContact C-O 3.5Å; S36-L102 WeakPolarHBondContact CA-O 3.2Å; S36-L102 VanDerWaalsContact CB-O 3.31Å; S36-L102 WeakPolarHBondContact CB-O 3.45Å; S36-S103 WeakPolarHBondContact OG-CA 2.98Å; S36-S103 WeakPolarHBondContact OG-CB 3.39Å
37	V	98	Very high	97.1	Very high	16 Å²	16	71 Å²	71	10%	0.097	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.8	174.6	74.1	0	0	0	0	109.8	E29 V31 I39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.71Å; E29-V37 HydrophobicContact CG-CG2 3.62Å; V31-V37 HydrophobicContact CG1-CB 4.22Å; V31-V37 HydrophobicContact CG1-CG2 4.24Å; V37-I39 HydrophobicContact CG1-CG1 4.37Å; V37-Q101 CarbonylContact O-C 3.42Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.39Å; V37-L102 HydrophobicContact CG1-CB 4.15Å; V37-L102 HydrophobicContact CG1-CD1 4.41Å; V37-L102 PolarHBondContact N-O 3.13Å; V37-L102 PolarHBondContact O-N 3.07Å; V37-L105 HydrophobicContact CB-CD1 4.01Å; V37-L105 HydrophobicContact CG1-CD1 3.75Å
38	K	98.1	Very high	97	Very high	109 Å²	109	68.7 Å²	68.7	47%	0.474	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	112.1	174.8	-172.7	176	-177.8	178.6	0	109.7	Y99 M100	K38-Y99 HydrophobicContact CD-CD1 4.33Å; K38-Y99 VanDerWaalsContact CE-CD1 3.48Å; K38-Y99 VanDerWaalsContact CE-CG 3.48Å; K38-Y99 HydrophobicContact CG-CD1 4.25Å; K38-M100 WeakPolarHBondContact CA-O 3.47Å
39	I	98.3	Very high	97.1	Very high	18 Å²	18	64.7 Å²	64.7	9%	0.092	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.1	-179.4	-52.4	179.6	0	0	0	108	S26 V37 W55 Y99 M100 Y113	S26-I39 WeakPolarHBondContact OG-CG2 3.14Å; V37-I39 HydrophobicContact CG1-CG1 4.37Å; I39-W55 HydrophobicContact CB-CH2 4.16Å; I39-W55 HydrophobicContact CB-CZ3 4.09Å; I39-W55 HydrophobicContact CG2-CH2 3.95Å; I39-W55 HydrophobicContact CG2-CZ3 3.76Å; I39-Y99 CarbonylContact O-C 3.51Å; I39-Y99 VanDerWaalsContact O-CA 3.24Å; I39-Y99 WeakPolarHBondContact O-CA 3.31Å; I39-M100 HydrophobicContact CD1-CE 3.78Å; I39-M100 PolarHBondContact N-O 2.83Å; I39-M100 PolarHBondContact O-N 3.34Å; I39-Y113 HydrophobicContact CD1-CD2 4.09Å; I39-Y113 HydrophobicContact CD1-CG 3.98Å
40	S	98.6	Very high	97.1	Very high	33 Å²	33	61.7 Å²	61.7	23%	0.231	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.1	174.5	66.3	0	0	0	0	111.3	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.59Å; Q25-S40 WeakPolarHBondContact CA-O 3.12Å; S26-S40 WeakPolarHBondContact CB-OG 3.43Å; S26-S40 PolarHBondContact N-O 2.98Å; S26-S40 PolarHBondContact OG-N 2.86Å; S40-A98 CarbonylContact C-O 3.59Å
41	C	98.7	Very high	97.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	102.2	172.3	176.7	0	0	0	0	109.1	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.08Å; Q25-C41 HydrophobicContact CG-CB 4.24Å; C41-W55 HydrophobicContact CB-CH2 3.85Å; C41-W55 HydrophobicContact CB-CZ2 4Å; C41-T97 WeakPolarHBondContact O-CA 3.19Å; C41-A98 PolarHBondContact N-O 3.21Å; C41-A98 PolarHBondContact O-N 2.02Å; C41-C115 HydrophobicContact CB-CB 3.49Å; C41-C115 VanDerWaalsContact CB-CB 3.49Å; C41-C115 WeakPolarHBondContact CB-SG 3.39Å; C41-C115 WeakPolarHBondContact SG-CB 3.45Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.23Å
42	K	98.4	Very high	97.3	Very high	119 Å²	119	61 Å²	61	52%	0.517	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.1	-179.6	-174.8	174.2	-176.6	176.9	0	110.3	L23 Q24 T97	L23-K42 CarbonylContact C-O 3.55Å; L23-K42 WeakPolarHBondContact CA-O 3.35Å; Q24-K42 PolarHBondContact N-O 2.87Å; Q24-K42 PolarHBondContact O-N 2.98Å; K42-T97 HydrophobicContact CB-CG2 4.48Å
43	A	98.1	Very high	97.4	Very high	7 Å²	7	52.8 Å²	52.8	6%	0.058	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.9	179.5	0	0	0	0	0	112.1	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.28Å; L23-A43 HydrophobicContact CD2-CB 3.9Å; A43-Y46 HydrophobicContact CB-CE1 3.57Å; A43-Y46 WeakPolarHBondContact CB-OH 3.33Å; A43-F48 HydrophobicContact CB-CB 4.32Å; A43-F48 HydrophobicContact CB-CD2 3.41Å; A43-F48 VanDerWaalsContact CB-CD2 3.41Å; A43-F48 HydrophobicContact CB-CE2 4.03Å; A43-F48 HydrophobicContact CB-CG 4.18Å; A43-S96 PolarHBondContact N-O 2.83Å
44	S	96.7	Very high	97.5	Very high	55 Å²	55	50.1 Å²	50.1	39%	0.385	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.5	169.3	59.2	0	0	0	0	111.4	Q22 Y46	Q22-S44 PolarHBondContact N-O 2.82Å; Q22-S44 PolarHBondContact O-N 2.9Å; S44-Y46 WeakPolarHBondContact O-CD1 3.49Å
45	G	95.2	Very high	97.6	Very high	46 Å²	46	47.5 Å²	47.5	47%	0.474	26%	0.264	S	S	.	.	S	Bend	trans	82.3	10.9	178.6	0	0	0	0	0	115.4	Q20	Q20-G45 WeakPolarHBondContact O-CA 3.44Å
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	-160.2	168.6	174.9	69	-82.2	0	0	0	112.9	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.84Å; V21-Y46 HydrophobicContact CG1-CE1 4Å; V21-Y46 HydrophobicContact CG2-CD1 4.38Å; L23-Y46 HydrophobicContact CD2-CE1 4.19Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.49Å; A43-Y46 HydrophobicContact CB-CE1 3.57Å; A43-Y46 WeakPolarHBondContact CB-OH 3.33Å; S44-Y46 WeakPolarHBondContact O-CD1 3.49Å; Y46-F48 HydrophobicContact CE2-CB 4.46Å; Y46-F48 PolarHBondContact O-N 2.88Å; Y46-Y51 AromaticContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CE2 4.04Å; Y46-Y51 HydrophobicContact CD2-CG 4.25Å; Y46-Y51 AromaticContact CE2-CD2 3.97Å; Y46-Y51 HydrophobicContact CE2-CD2 3.97Å; Y46-Y51 HydrophobicContact CE2-CG 4.29Å; Y46-I53 VanDerWaalsContact OH-CD1 3.27Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.47Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.29Å; Y46-R117 HydrophobicContact CE2-CG 4.3Å; Y46-R117 VanDerWaalsContact CZ-CD 3.44Å
47	S	95.9	Very high	97.7	Very high	63 Å²	63	44.1 Å²	44.1	44%	0.441	24%	0.237	S	C	.	.			trans	-70.9	91.2	172.3	-176.7	0	0	0	0	110.8	T49 S50 Y51	S47-T49 PolarHBondContact O-N 3.15Å; S47-T49 VanDerWaalsContact O-N 3.16Å; S47-S50 PolarHBondContact O-N 2.84Å; S47-S50 PolarHBondContact OG-OG 3.01Å; S47-Y51 WeakPolarHBondContact O-CD2 3.24Å
48	F	97.3	Very high	97.6	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.022	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-51.2	-39.3	-176.6	174.2	-111.4	0	0	0	113.7	A43 Y46 S50 I53 P72 A91 A98	A43-F48 HydrophobicContact CB-CB 4.32Å; A43-F48 HydrophobicContact CB-CD2 3.41Å; A43-F48 VanDerWaalsContact CB-CD2 3.41Å; A43-F48 HydrophobicContact CB-CE2 4.03Å; A43-F48 HydrophobicContact CB-CG 4.18Å; Y46-F48 HydrophobicContact CE2-CB 4.46Å; Y46-F48 PolarHBondContact O-N 2.88Å; F48-S50 PolarHBondContact O-N 2.95Å; F48-I53 HydrophobicContact CD2-CD1 4.21Å; F48-I53 HydrophobicContact CD2-CG1 4.43Å; F48-I53 HydrophobicContact CE2-CD1 3.88Å; F48-I53 HydrophobicContact CE2-CG1 3.7Å; F48-I53 HydrophobicContact CZ-CG1 4.4Å; F48-P72 HydrophobicContact CD1-CB 3.84Å; F48-P72 HydrophobicContact CD1-CG 4.2Å; F48-P72 HydrophobicContact CD2-CG 4.34Å; F48-P72 HydrophobicContact CE1-CB 3.43Å; F48-P72 VanDerWaalsContact CE1-CB 3.43Å; F48-P72 HydrophobicContact CE1-CG 3.72Å; F48-P72 HydrophobicContact CE2-CG 3.89Å; F48-P72 HydrophobicContact CZ-CB 3.81Å; F48-P72 HydrophobicContact CZ-CG 3.54Å; F48-A91 HydrophobicContact CE1-CB 4.12Å; F48-A91 HydrophobicContact CZ-CB 4.08Å; F48-A98 HydrophobicContact CE2-CB 4.27Å; F48-A98 HydrophobicContact CZ-CB 4.04Å
49	T	98	Very high	97.5	Very high	54 Å²	54	43.7 Å²	43.7	33%	0.331	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-68.6	-14.7	-179	54.3	0	0	0	0	114	S47 G73 T93	S47-T49 PolarHBondContact O-N 3.15Å; S47-T49 VanDerWaalsContact O-N 3.16Å; T49-G73 WeakPolarHBondContact O-CA 3.32Å; T49-G73 PolarHBondContact O-N 2.61Å; T49-G73 VanDerWaalsContact O-N 3.13Å; T49-T93 HydrophobicContact CG2-CG2 3.77Å
50	S	97.3	Very high	97.3	Very high	60 Å²	60	48.2 Å²	48.2	42%	0.42	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-96.8	-2.1	-175	-51.4	0	0	0	0	114.2	S47 F48	S47-S50 PolarHBondContact O-N 2.84Å; S47-S50 PolarHBondContact OG-OG 3.01Å; F48-S50 PolarHBondContact O-N 2.95Å
51	Y	97.5	Very high	97.1	Very high	109 Å²	109	51.1 Å²	51.1	43%	0.427	30%	0.299	S	S	.	.	S	Bend	trans	-132	147.6	-175.4	-66.3	-96.3	0	0	0	112.6	Y46 S47 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CD2 3.56Å; Y46-Y51 HydrophobicContact CD2-CE2 4.04Å; Y46-Y51 HydrophobicContact CD2-CG 4.25Å; Y46-Y51 AromaticContact CE2-CD2 3.97Å; Y46-Y51 HydrophobicContact CE2-CD2 3.97Å; Y46-Y51 HydrophobicContact CE2-CG 4.29Å; S47-Y51 WeakPolarHBondContact O-CD2 3.24Å; Y51-P72 WeakPolarHBondContact O-CD 3.42Å; Y51-R117 HydrophobicContact CD1-CG 4.08Å; Y51-R117 HydrophobicContact CG-CG 4.03Å
52	Y	98.4	Very high	96.9	Very high	108 Å²	108	56.2 Å²	56.2	42%	0.424	32%	0.323	S	S	.	.			trans	-68.7	143	171.5	-59.8	-80.8	0	0	0	110.9	W69 I70 Y71	Y52-W69 AromaticContact CD1-CD2 3.81Å; Y52-W69 HydrophobicContact CD1-CD2 3.81Å; Y52-W69 AromaticContact CD1-CE3 3.43Å; Y52-W69 HydrophobicContact CD1-CE3 3.43Å; Y52-W69 VanDerWaalsContact CD1-CE3 3.43Å; Y52-W69 HydrophobicContact CD1-CG 4.42Å; Y52-W69 HydrophobicContact CD1-CH2 4.3Å; Y52-W69 AromaticContact CD1-CZ3 3.71Å; Y52-W69 HydrophobicContact CD1-CZ3 3.71Å; Y52-W69 HydrophobicContact CE1-CD2 4.24Å; Y52-W69 AromaticContact CE1-CE3 3.78Å; Y52-W69 HydrophobicContact CE1-CE3 3.78Å; Y52-W69 AromaticContact CE1-CH2 3.78Å; Y52-W69 HydrophobicContact CE1-CH2 3.78Å; Y52-W69 HydrophobicContact CE1-CZ2 4.2Å; Y52-W69 AromaticContact CE1-CZ3 3.54Å; Y52-W69 HydrophobicContact CE1-CZ3 3.54Å; Y52-I70 WeakPolarHBondContact CA-O 3.15Å; Y52-Y71 AromaticContact CD1-CD2 3.72Å; Y52-Y71 HydrophobicContact CD1-CD2 3.72Å; Y52-Y71 HydrophobicContact CD1-CG 4.06Å; Y52-Y71 HydrophobicContact CD2-CD2 4.42Å; Y52-Y71 AromaticContact CE1-CD2 3.66Å; Y52-Y71 HydrophobicContact CE1-CD2 3.66Å; Y52-Y71 AromaticContact CE1-CG 3.79Å; Y52-Y71 HydrophobicContact CE1-CG 3.79Å; Y52-Y71 HydrophobicContact CE2-CD2 4.34Å; Y52-Y71 HydrophobicContact CG-CD2 4.12Å; Y52-Y71 AromaticContact CZ-CD2 3.97Å
53	I	98.6	Very high	96.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.7	168.2	-52.6	-61.5	0	0	0	108.1	Y46 F48 W69 I70 P72 A98 C115 A116 R117	Y46-I53 VanDerWaalsContact OH-CD1 3.27Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.47Å; F48-I53 HydrophobicContact CD2-CD1 4.21Å; F48-I53 HydrophobicContact CD2-CG1 4.43Å; F48-I53 HydrophobicContact CE2-CD1 3.88Å; F48-I53 HydrophobicContact CE2-CG1 3.7Å; F48-I53 HydrophobicContact CZ-CG1 4.4Å; I53-W69 CarbonylContact O-C 3.54Å; I53-W69 WeakPolarHBondContact O-CA 3.35Å; I53-I70 HydrophobicContact CB-CG2 4.05Å; I53-I70 PolarHBondContact N-O 2.61Å; I53-I70 PolarHBondContact O-N 3.36Å; I53-P72 HydrophobicContact CG1-CG 4.02Å; I53-A98 HydrophobicContact CB-CB 4.14Å; I53-A98 HydrophobicContact CG1-CB 4.13Å; I53-A98 HydrophobicContact CG2-CB 3.85Å; I53-C115 HydrophobicContact CG2-CB 4.16Å; I53-A116 CarbonylContact C-O 3.6Å; I53-A116 WeakPolarHBondContact CA-O 3.49Å; I53-R117 HydrophobicContact CD1-CB 4.41Å
54	H	98.7	Very high	96.6	Very high	57 Å²	57	58.8 Å²	58.8	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	143.1	178.3	-66.9	-106	0	0	0	110.1	W66 G68 W69 C115 A116	H54-W66 AromaticContact ND1-NE1 3.37Å; H54-W66 PolarHBondContact ND1-NE1 3.1Å; H54-G68 WeakPolarHBondContact CA-O 3.48Å; H54-W69 AromaticContact CE1-CD1 3.88Å; H54-C115 CarbonylContact O-C 3.6Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.39Å; H54-A116 HydrophobicContact CB-CB 4.43Å; H54-A116 PolarHBondContact N-O 3.33Å; H54-A116 PolarHBondContact O-N 3Å
55	W	98.7	Very high	96.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.1	171.7	-69.2	89.2	0	0	0	109.9	I39 C41 I67 G68 L89 A98 M100 Y114 C115	I39-W55 HydrophobicContact CB-CH2 4.16Å; I39-W55 HydrophobicContact CB-CZ3 4.09Å; I39-W55 HydrophobicContact CG2-CH2 3.95Å; I39-W55 HydrophobicContact CG2-CZ3 3.76Å; C41-W55 HydrophobicContact CB-CH2 3.85Å; C41-W55 HydrophobicContact CB-CZ2 4Å; W55-I67 HydrophobicContact CB-CB 4.1Å; W55-I67 HydrophobicContact CB-CD1 4.26Å; W55-I67 HydrophobicContact CB-CG2 4.5Å; W55-I67 WeakPolarHBondContact O-CB 3.4Å; W55-I67 PolarHBondContact O-N 2.81Å; W55-G68 PolarHBondContact N-O 2.92Å; W55-L89 HydrophobicContact CB-CD2 4.49Å; W55-L89 VanDerWaalsContact CD1-CD2 3.47Å; W55-L89 HydrophobicContact CG-CD2 3.96Å; W55-A98 HydrophobicContact CZ2-CB 4.35Å; W55-M100 HydrophobicContact CB-SD 3.85Å; W55-M100 HydrophobicContact CD2-CB 3.57Å; W55-M100 HydrophobicContact CD2-CE 4.22Å; W55-M100 HydrophobicContact CD2-CG 4.32Å; W55-M100 HydrophobicContact CD2-SD 3.91Å; W55-M100 HydrophobicContact CE3-CB 3.76Å; W55-M100 HydrophobicContact CE3-CE 3.55Å; W55-M100 HydrophobicContact CE3-CG 4.45Å; W55-M100 HydrophobicContact CE3-SD 3.87Å; W55-M100 HydrophobicContact CG-CB 4.16Å; W55-M100 HydrophobicContact CG-SD 3.94Å; W55-M100 HydrophobicContact CH2-CB 3.88Å; W55-M100 HydrophobicContact CZ2-CB 3.71Å; W55-M100 HydrophobicContact CZ3-CB 3.91Å; W55-M100 HydrophobicContact CZ3-CE 3.97Å; W55-Y114 WeakPolarHBondContact CA-O 3.35Å; W55-C115 HydrophobicContact CD2-CB 4.4Å; W55-C115 HydrophobicContact CE3-CB 4.22Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.35Å; W55-C115 HydrophobicContact CZ3-CB 4.13Å
56	V	98.4	Very high	96.8	Very high	26 Å²	26	59.2 Å²	59.2	16%	0.158	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.2	-175.3	-174.3	0	0	0	0	109.5	L64 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.91Å; V56-L64 HydrophobicContact CG1-CG 4.31Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.25Å; V56-Y114 PolarHBondContact N-O 3.23Å; V56-Y114 PolarHBondContact O-N 2.8Å
57	K	97.8	Very high	97	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.4	175.2	-175.2	178.6	-177.1	177.9	0	110	R59 E65 I67 F83 E108 D109 A111 Y113	K57-R59 VanDerWaalsContact NZ-CZ 3.35Å; K57-E65 HydrophobicContact CB-CB 4.41Å; K57-E65 PolarHBondContact N-O 2.83Å; K57-E65 PolarHBondContact O-N 2.93Å; K57-I67 HydrophobicContact CB-CD1 4.07Å; K57-I67 HydrophobicContact CB-CG1 4.22Å; K57-F83 HydrophobicContact CB-CZ 4.48Å; K57-F83 HydrophobicContact CD-CE1 4.03Å; K57-F83 HydrophobicContact CD-CZ 3.95Å; K57-E108 PolarHBondContact NZ-O 3.02Å; K57-D109 IonicContact NZ-OD1 2.94Å; K57-D109 PolarHBondContact NZ-OD1 2.85Å; K57-D109 VanDerWaalsContact NZ-OD1 3.15Å; K57-A111 HydrophobicContact CD-CB 4.2Å; K57-A111 HydrophobicContact CG-CB 3.54Å; K57-Y113 HydrophobicContact CB-CD1 4.15Å; K57-Y113 HydrophobicContact CB-CE1 3.91Å; K57-Y113 HydrophobicContact CD-CE1 3.97Å; K57-Y113 WeakPolarHBondContact CE-OH 3.27Å; K57-Y113 HydrophobicContact CG-CD1 4.27Å; K57-Y113 HydrophobicContact CG-CE1 3.73Å
58	Q	97.6	Very high	97.1	Very high	68 Å²	68	54.4 Å²	54.4	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	113.3	170.3	-168.5	-179	26.9	0	0	110.1	L64 A111 V112 Y114	Q58-L64 HydrophobicContact CB-CD2 3.77Å; Q58-L64 HydrophobicContact CG-CD2 3.9Å; Q58-A111 CarbonylContact O-C 3.57Å; Q58-A111 WeakPolarHBondContact O-CA 3.43Å; Q58-A111 VanDerWaalsContact O-CB 3.25Å; Q58-A111 WeakPolarHBondContact O-CB 3.41Å; Q58-V112 PolarHBondContact N-O 3.17Å; Q58-V112 PolarHBondContact O-N 3.15Å; Q58-Y114 HydrophobicContact CB-CD2 4.45Å; Q58-Y114 HydrophobicContact CB-CE2 3.9Å; Q58-Y114 PolarHBondContact OE1-OH 3.3Å
59	R	95.3	Very high	97.2	Very high	48 Å²	48	56.7 Å²	56.7	18%	0.181	32%	0.316	C	S	.	.			trans	-87.8	150.7	171.4	-61.4	-174.4	-169.7	84.7	-4.3	110.2	K57 G61 Q62 E65 E108 A111	K57-R59 VanDerWaalsContact NZ-CZ 3.35Å; R59-G61 PolarHBondContact O-N 3.23Å; R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.06Å; R59-Q62 PolarHBondContact O-N 2.96Å; R59-E65 IonicContact CZ-OE2 3.06Å; R59-E65 IonicContact NH1-OE2 3.05Å; R59-E65 PolarHBondContact NH1-OE2 3.09Å; R59-E65 IonicContact NH2-OE2 2.57Å; R59-E108 PolarHBondContact NE-O 3.5Å; R59-A111 HydrophobicContact CG-CB 4.13Å
60	P	94.4	Very high	97.2	Very high	114 Å²	114	54.3 Å²	54.3	74%	0.74	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.3	172.1	-24.9	34.4	0	0	0	111.3	Q62	P60-Q62 PolarHBondContact O-N 3.28Å
61	G	94.8	Very high	97.3	Very high	93 Å²	93	54.7 Å²	54.7	96%	0.959	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	6.5	179.7	0	0	0	0	0	115.9	R59	R59-G61 PolarHBondContact O-N 3.23Å
62	Q	93.8	Very high	97.3	Very high	109 Å²	109	49.9 Å²	49.9	51%	0.509	28%	0.276	S	S	.	.	S	Bend	trans	-117.2	162.8	176.6	-56.4	-174.2	17.4	0	0	111.7	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.04Å; R59-Q62 HydrophobicContact CB-CG 4.06Å; R59-Q62 PolarHBondContact O-N 2.96Å; P60-Q62 PolarHBondContact O-N 3.28Å
63	G	92.9	Very high	97.3	Very high	61 Å²	61	46.8 Å²	46.8	63%	0.629	28%	0.277	S	S	*	.			trans	-67.4	173.1	173.6	0	0	0	0	0	113.4
64	L	96.9	Very high	97.3	Very high	119 Å²	119	49.9 Å²	49.9	62%	0.623	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.3	172.1	-65.6	175.1	0	0	0	110.3	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.8Å; V56-L64 HydrophobicContact CG1-CD2 3.91Å; V56-L64 HydrophobicContact CG1-CG 4.31Å; Q58-L64 HydrophobicContact CB-CD2 3.77Å; Q58-L64 HydrophobicContact CG-CD2 3.9Å
65	E	97.7	Very high	97.2	Very high	28 Å²	28	49.2 Å²	49.2	13%	0.131	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.1	177.5	-170.5	171	-148.8	0	0	109.4	K57 R59 I67 K82 F83	K57-E65 HydrophobicContact CB-CB 4.41Å; K57-E65 PolarHBondContact N-O 2.83Å; K57-E65 PolarHBondContact O-N 2.93Å; R59-E65 IonicContact CZ-OE2 3.06Å; R59-E65 IonicContact NH1-OE2 3.05Å; R59-E65 PolarHBondContact NH1-OE2 3.09Å; R59-E65 IonicContact NH2-OE2 2.57Å; E65-I67 PolarHBondContact O-N 2.78Å; E65-K82 WeakPolarHBondContact OE1-CD 3.38Å; E65-K82 IonicContact OE1-NZ 2.88Å; E65-K82 PolarHBondContact OE1-NZ 3.07Å; E65-F83 HydrophobicContact CG-CE2 3.79Å; E65-F83 HydrophobicContact CG-CZ 4.1Å
66	W	98.1	Very high	97.2	Very high	82 Å²	82	54 Å²	54	31%	0.311	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.9	179.2	-179.2	71.2	0	0	0	110.7	H54 G68 W69 K78 N80	H54-W66 AromaticContact ND1-NE1 3.37Å; H54-W66 PolarHBondContact ND1-NE1 3.1Å; W66-G68 VanDerWaalsContact CE2-C 3.5Å; W66-G68 PolarHBondContact NE1-O 2.94Å; W66-G68 VanDerWaalsContact NE1-O 3.08Å; W66-W69 HydrophobicContact CZ2-CB 4.3Å; W66-W69 AromaticContact CZ2-CD1 3.41Å; W66-W69 VanDerWaalsContact CZ2-CD1 3.41Å; W66-W69 HydrophobicContact CZ2-CG 4.08Å; W66-K78 HydrophobicContact CH2-CB 4.37Å; W66-K78 HydrophobicContact CH2-CD 4.34Å; W66-K78 HydrophobicContact CH2-CG 4.13Å; W66-N80 HydrophobicContact CE3-CB 3.85Å; W66-N80 HydrophobicContact CZ3-CB 4.02Å; W66-N80 WeakPolarHBondContact O-CB 3.41Å; W66-N80 PolarHBondContact O-ND2 3.43Å
67	I	98.5	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-48.2	-178.2	-60.8	175.2	0	0	0	110.4	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.1Å; W55-I67 HydrophobicContact CB-CD1 4.26Å; W55-I67 HydrophobicContact CB-CG2 4.5Å; W55-I67 WeakPolarHBondContact O-CB 3.4Å; W55-I67 PolarHBondContact O-N 2.81Å; K57-I67 HydrophobicContact CB-CD1 4.07Å; K57-I67 HydrophobicContact CB-CG1 4.22Å; E65-I67 PolarHBondContact O-N 2.78Å; I67-N80 PolarHBondContact O-N 2.83Å; I67-F83 HydrophobicContact CB-CD2 4.31Å; I67-F83 HydrophobicContact CB-CG 4.24Å; I67-F83 HydrophobicContact CD1-CE1 4.41Å; I67-F83 HydrophobicContact CG1-CD1 4.09Å; I67-F83 HydrophobicContact CG1-CD2 4.23Å; I67-F83 HydrophobicContact CG1-CE1 3.97Å; I67-F83 HydrophobicContact CG1-CE2 4.12Å; I67-F83 HydrophobicContact CG1-CG 4.22Å; I67-F83 HydrophobicContact CG1-CZ 3.98Å; I67-F83 HydrophobicContact CG2-CB 3.82Å; I67-F83 HydrophobicContact CG2-CD1 4.03Å; I67-F83 HydrophobicContact CG2-CD2 4.33Å; I67-F83 HydrophobicContact CG2-CG 3.8Å; I67-A87 HydrophobicContact CG2-CB 3.78Å; I67-M100 HydrophobicContact CD1-CE 4.08Å; I67-M100 HydrophobicContact CD1-SD 3.56Å; I67-M100 VanDerWaalsContact CD1-SD 3.56Å; I67-M100 HydrophobicContact CG2-SD 4.1Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.74Å
68	G	98.6	Very high	97.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	178.6	-169.1	0	0	0	0	0	112.8	H54 W55 W66 K78	H54-G68 WeakPolarHBondContact CA-O 3.48Å; W55-G68 PolarHBondContact N-O 2.92Å; W66-G68 VanDerWaalsContact CE2-C 3.5Å; W66-G68 PolarHBondContact NE1-O 2.94Å; W66-G68 VanDerWaalsContact NE1-O 3.08Å; G68-K78 CarbonylContact C-O 3.54Å; G68-K78 WeakPolarHBondContact CA-O 3.39Å
69	W	98.7	Very high	97.3	Very high	54 Å²	54	60.5 Å²	60.5	21%	0.205	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.6	167.5	59.2	-114.9	0	0	0	110.9	Y52 I53 H54 W66 N76 T77 K78	Y52-W69 AromaticContact CD1-CD2 3.81Å; Y52-W69 HydrophobicContact CD1-CD2 3.81Å; Y52-W69 AromaticContact CD1-CE3 3.43Å; Y52-W69 HydrophobicContact CD1-CE3 3.43Å; Y52-W69 VanDerWaalsContact CD1-CE3 3.43Å; Y52-W69 HydrophobicContact CD1-CG 4.42Å; Y52-W69 HydrophobicContact CD1-CH2 4.3Å; Y52-W69 AromaticContact CD1-CZ3 3.71Å; Y52-W69 HydrophobicContact CD1-CZ3 3.71Å; Y52-W69 HydrophobicContact CE1-CD2 4.24Å; Y52-W69 AromaticContact CE1-CE3 3.78Å; Y52-W69 HydrophobicContact CE1-CE3 3.78Å; Y52-W69 AromaticContact CE1-CH2 3.78Å; Y52-W69 HydrophobicContact CE1-CH2 3.78Å; Y52-W69 HydrophobicContact CE1-CZ2 4.2Å; Y52-W69 AromaticContact CE1-CZ3 3.54Å; Y52-W69 HydrophobicContact CE1-CZ3 3.54Å; I53-W69 CarbonylContact O-C 3.54Å; I53-W69 WeakPolarHBondContact O-CA 3.35Å; H54-W69 AromaticContact CE1-CD1 3.88Å; W66-W69 HydrophobicContact CZ2-CB 4.3Å; W66-W69 AromaticContact CZ2-CD1 3.41Å; W66-W69 VanDerWaalsContact CZ2-CD1 3.41Å; W66-W69 HydrophobicContact CZ2-CG 4.08Å; W69-N76 HydrophobicContact CH2-CB 4.44Å; W69-N76 HydrophobicContact CZ3-CB 4.13Å; W69-N76 VanDerWaalsContact CZ3-O 3.29Å; W69-N76 WeakPolarHBondContact CZ3-O 3.45Å; W69-T77 VanDerWaalsContact O-CA 3.28Å; W69-T77 WeakPolarHBondContact O-CA 3.38Å; W69-K78 HydrophobicContact CD2-CB 3.9Å; W69-K78 HydrophobicContact CG-CB 4.34Å; W69-K78 HydrophobicContact CH2-CB 4.26Å; W69-K78 HydrophobicContact CZ2-CB 3.56Å; W69-K78 HydrophobicContact CZ2-CD 4.2Å; W69-K78 PolarHBondContact N-O 3.41Å; W69-K78 PolarHBondContact O-N 3.01Å
70	I	98.8	Very high	97.4	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.015	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.4	164.5	-175.7	165.2	0	0	0	109.6	Y52 I53 P72 N76 T77 L89 A91 A98	Y52-I70 WeakPolarHBondContact CA-O 3.15Å; I53-I70 HydrophobicContact CB-CG2 4.05Å; I53-I70 PolarHBondContact N-O 2.61Å; I53-I70 PolarHBondContact O-N 3.36Å; I70-P72 WeakPolarHBondContact O-CD 3.23Å; I70-N76 CarbonylContact C-O 3.59Å; I70-N76 WeakPolarHBondContact CA-O 3.49Å; I70-T77 HydrophobicContact CB-CG2 4.08Å; I70-T77 HydrophobicContact CD1-CG2 4.07Å; I70-T77 HydrophobicContact CG1-CG2 3.93Å; I70-L89 HydrophobicContact CB-CB 4.12Å; I70-A91 HydrophobicContact CD1-CB 3.83Å; I70-A98 HydrophobicContact CG2-CB 4.45Å
71	Y	98.7	Very high	97.6	Very high	69 Å²	69	61 Å²	61	27%	0.271	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.1	167.5	-172.4	-119.4	0	0	0	108.9	Y52 G73 S74 G75 N76	Y52-Y71 AromaticContact CD1-CD2 3.72Å; Y52-Y71 HydrophobicContact CD1-CD2 3.72Å; Y52-Y71 HydrophobicContact CD1-CG 4.06Å; Y52-Y71 HydrophobicContact CD2-CD2 4.42Å; Y52-Y71 AromaticContact CE1-CD2 3.66Å; Y52-Y71 HydrophobicContact CE1-CD2 3.66Å; Y52-Y71 AromaticContact CE1-CG 3.79Å; Y52-Y71 HydrophobicContact CE1-CG 3.79Å; Y52-Y71 HydrophobicContact CE2-CD2 4.34Å; Y52-Y71 HydrophobicContact CG-CD2 4.12Å; Y52-Y71 AromaticContact CZ-CD2 3.97Å; Y71-G73 PolarHBondContact O-N 3.46Å; Y71-G73 VanDerWaalsContact O-N 3.16Å; Y71-S74 WeakPolarHBondContact CD1-OG 3.14Å; Y71-S74 PolarHBondContact O-N 2.96Å; Y71-G75 WeakPolarHBondContact O-CA 3.41Å; Y71-G75 PolarHBondContact O-N 2.77Å; Y71-N76 PolarHBondContact N-O 2.84Å
72	P	98.5	Very high	97.6	Very high	7 Å²	7	63.9 Å²	63.9	5%	0.045	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.4	-171.2	-22.4	34.6	0	0	0	113.6	F48 Y51 I53 I70 S74 A91 T93	F48-P72 HydrophobicContact CD1-CB 3.84Å; F48-P72 HydrophobicContact CD1-CG 4.2Å; F48-P72 HydrophobicContact CD2-CG 4.34Å; F48-P72 HydrophobicContact CE1-CB 3.43Å; F48-P72 VanDerWaalsContact CE1-CB 3.43Å; F48-P72 HydrophobicContact CE1-CG 3.72Å; F48-P72 HydrophobicContact CE2-CG 3.89Å; F48-P72 HydrophobicContact CZ-CB 3.81Å; F48-P72 HydrophobicContact CZ-CG 3.54Å; Y51-P72 WeakPolarHBondContact O-CD 3.42Å; I53-P72 HydrophobicContact CG1-CG 4.02Å; I70-P72 WeakPolarHBondContact O-CD 3.23Å; P72-S74 VanDerWaalsContact C-N 3.32Å; P72-S74 PolarHBondContact O-N 2.81Å; P72-A91 HydrophobicContact CB-CB 3.88Å; P72-A91 HydrophobicContact CG-CB 4.27Å; P72-T93 HydrophobicContact CB-CG2 4.46Å; P72-T93 WeakPolarHBondContact O-CG2 2.99Å
73	G	98.1	Very high	97.8	Very high	44 Å²	44	59 Å²	59	45%	0.454	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.9	179	0	0	0	0	0	114.5	T49 Y71	T49-G73 WeakPolarHBondContact O-CA 3.32Å; T49-G73 PolarHBondContact O-N 2.61Å; T49-G73 VanDerWaalsContact O-N 3.13Å; Y71-G73 PolarHBondContact O-N 3.46Å; Y71-G73 VanDerWaalsContact O-N 3.16Å
74	S	98	Very high	97.9	Very high	64 Å²	64	62 Å²	62	45%	0.448	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-11.4	177.8	75.5	0	0	0	0	114.4	Y71 P72 N76	Y71-S74 WeakPolarHBondContact CD1-OG 3.14Å; Y71-S74 PolarHBondContact O-N 2.96Å; P72-S74 VanDerWaalsContact C-N 3.32Å; P72-S74 PolarHBondContact O-N 2.81Å; S74-N76 PolarHBondContact O-N 2.88Å; S74-N76 WeakPolarHBondContact OG-CB 3.49Å; S74-N76 PolarHBondContact OG-N 2.83Å; S74-N76 PolarHBondContact OG-ND2 2.79Å; S74-N76 VanDerWaalsContact OG-ND2 3.07Å
75	G	98	Very high	97.8	Very high	43 Å²	43	59.9 Å²	59.9	44%	0.443	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	2.4	-171.4	0	0	0	0	0	114.3	Y71	Y71-G75 WeakPolarHBondContact O-CA 3.41Å; Y71-G75 PolarHBondContact O-N 2.77Å
76	N	98.4	Very high	97.8	Very high	101 Å²	101	60.9 Å²	60.9	54%	0.54	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	141.2	179.4	-74.2	-16	0	0	0	111.3	W69 I70 Y71 S74	W69-N76 HydrophobicContact CH2-CB 4.44Å; W69-N76 HydrophobicContact CZ3-CB 4.13Å; W69-N76 VanDerWaalsContact CZ3-O 3.29Å; W69-N76 WeakPolarHBondContact CZ3-O 3.45Å; I70-N76 CarbonylContact C-O 3.59Å; I70-N76 WeakPolarHBondContact CA-O 3.49Å; Y71-N76 PolarHBondContact N-O 2.84Å; S74-N76 PolarHBondContact O-N 2.88Å; S74-N76 WeakPolarHBondContact OG-CB 3.49Å; S74-N76 PolarHBondContact OG-N 2.83Å; S74-N76 PolarHBondContact OG-ND2 2.79Å; S74-N76 VanDerWaalsContact OG-ND2 3.07Å
77	T	98.6	Very high	97.8	Very high	58 Å²	58	57.1 Å²	57.1	36%	0.356	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.2	178.9	58.1	0	0	0	0	111.5	W69 I70 Y79 L89	W69-T77 VanDerWaalsContact O-CA 3.28Å; W69-T77 WeakPolarHBondContact O-CA 3.38Å; I70-T77 HydrophobicContact CB-CG2 4.08Å; I70-T77 HydrophobicContact CD1-CG2 4.07Å; I70-T77 HydrophobicContact CG1-CG2 3.93Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.25Å; T77-L89 HydrophobicContact CG2-CB 4Å
78	K	98.5	Very high	97.8	Very high	123 Å²	123	60.3 Å²	60.3	54%	0.535	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.9	165.6	-169.9	178.8	-179.1	176.5	0	109.1	W66 G68 W69	W66-K78 HydrophobicContact CH2-CB 4.37Å; W66-K78 HydrophobicContact CH2-CD 4.34Å; W66-K78 HydrophobicContact CH2-CG 4.13Å; G68-K78 CarbonylContact C-O 3.54Å; G68-K78 WeakPolarHBondContact CA-O 3.39Å; W69-K78 HydrophobicContact CD2-CB 3.9Å; W69-K78 HydrophobicContact CG-CB 4.34Å; W69-K78 HydrophobicContact CH2-CB 4.26Å; W69-K78 HydrophobicContact CZ2-CB 3.56Å; W69-K78 HydrophobicContact CZ2-CD 4.2Å; W69-K78 PolarHBondContact N-O 3.41Å; W69-K78 PolarHBondContact O-N 3.01Å
79	Y	98.6	Very high	97.8	Very high	50 Å²	50	60.7 Å²	60.7	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.3	179.9	-62.3	-92	0	0	0	110.6	T77 A87 L89	T77-Y79 WeakPolarHBondContact OG1-CE2 3.25Å; Y79-A87 HydrophobicContact CD1-CB 4.44Å; Y79-A87 HydrophobicContact CE1-CB 4.24Å; Y79-A87 VanDerWaalsContact CE1-O 3.23Å; Y79-A87 WeakPolarHBondContact CE1-O 3.39Å; Y79-L89 HydrophobicContact CE1-CB 4.49Å; Y79-L89 HydrophobicContact CE1-CD1 4.11Å; Y79-L89 HydrophobicContact CE1-CG 3.69Å; Y79-L89 PolarHBondContact OH-N 3.19Å
80	N	97.7	Very high	97.8	Very high	44 Å²	44	60.9 Å²	60.9	24%	0.235	34%	0.342	C	S	.	.			trans	-70.4	135.3	152.9	180	-25.6	0	0	0	108.2	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.85Å; W66-N80 HydrophobicContact CZ3-CB 4.02Å; W66-N80 WeakPolarHBondContact O-CB 3.41Å; W66-N80 PolarHBondContact O-ND2 3.43Å; I67-N80 PolarHBondContact O-N 2.83Å; N80-K82 PolarHBondContact O-N 3Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 3.26Å; N80-K82 VanDerWaalsContact OD1-N 3.1Å; N80-F83 HydrophobicContact CB-CD2 4.11Å; N80-F83 PolarHBondContact O-N 3.26Å; N80-K84 PolarHBondContact O-N 3.06Å
81	E	97.4	Very high	97.8	Very high	130 Å²	130	62.4 Å²	62.4	61%	0.607	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-54.7	-31.8	-176.9	-68.5	-60.8	140.6	0	0	112.8	F83 K84	E81-F83 PolarHBondContact O-N 2.79Å; E81-K84 WeakPolarHBondContact O-CB 3.41Å; E81-K84 PolarHBondContact O-N 2.87Å; E81-K84 IonicContact OE1-NZ 3.57Å; E81-K84 PolarHBondContact OE1-NZ 3.39Å; E81-K84 WeakPolarHBondContact OE2-CD 3Å; E81-K84 IonicContact OE2-NZ 3.15Å; E81-K84 PolarHBondContact OE2-NZ 3.24Å
82	K	95.7	Very high	97.8	Very high	153 Å²	153	61.9 Å²	61.9	67%	0.665	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62.6	-25.6	176	-68.1	-175	-176	-179.3	0	114.7	E65 N80	E65-K82 WeakPolarHBondContact OE1-CD 3.38Å; E65-K82 IonicContact OE1-NZ 2.88Å; E65-K82 PolarHBondContact OE1-NZ 3.07Å; N80-K82 PolarHBondContact O-N 3Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 PolarHBondContact OD1-N 3.26Å; N80-K82 VanDerWaalsContact OD1-N 3.1Å
83	F	97.1	Very high	97.8	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.031	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-106.5	-4	-177.5	-65.6	-87.9	0	0	0	112.7	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.48Å; K57-F83 HydrophobicContact CD-CE1 4.03Å; K57-F83 HydrophobicContact CD-CZ 3.95Å; E65-F83 HydrophobicContact CG-CE2 3.79Å; E65-F83 HydrophobicContact CG-CZ 4.1Å; I67-F83 HydrophobicContact CB-CD2 4.31Å; I67-F83 HydrophobicContact CB-CG 4.24Å; I67-F83 HydrophobicContact CD1-CE1 4.41Å; I67-F83 HydrophobicContact CG1-CD1 4.09Å; I67-F83 HydrophobicContact CG1-CD2 4.23Å; I67-F83 HydrophobicContact CG1-CE1 3.97Å; I67-F83 HydrophobicContact CG1-CE2 4.12Å; I67-F83 HydrophobicContact CG1-CG 4.22Å; I67-F83 HydrophobicContact CG1-CZ 3.98Å; I67-F83 HydrophobicContact CG2-CB 3.82Å; I67-F83 HydrophobicContact CG2-CD1 4.03Å; I67-F83 HydrophobicContact CG2-CD2 4.33Å; I67-F83 HydrophobicContact CG2-CG 3.8Å; N80-F83 HydrophobicContact CB-CD2 4.11Å; N80-F83 PolarHBondContact O-N 3.26Å; E81-F83 PolarHBondContact O-N 2.79Å; F83-G85 PolarHBondContact O-N 2.81Å; F83-K86 PolarHBondContact O-N 3.01Å; F83-A87 HydrophobicContact CB-CB 4.14Å; F83-A87 PolarHBondContact O-N 2.87Å
84	K	95.7	Very high	97.7	Very high	124 Å²	124	68.1 Å²	68.1	54%	0.539	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-62.4	125.4	176.1	-162.9	175	-173.1	172.9	0	109.2	N80 E81 K86	N80-K84 PolarHBondContact O-N 3.06Å; E81-K84 WeakPolarHBondContact O-CB 3.41Å; E81-K84 PolarHBondContact O-N 2.87Å; E81-K84 IonicContact OE1-NZ 3.57Å; E81-K84 PolarHBondContact OE1-NZ 3.39Å; E81-K84 WeakPolarHBondContact OE2-CD 3Å; E81-K84 IonicContact OE2-NZ 3.15Å; E81-K84 PolarHBondContact OE2-NZ 3.24Å; K84-K86 PolarHBondContact O-N 3.05Å
85	G	95.3	Very high	97.7	Very high	73 Å²	73	67 Å²	67	75%	0.753	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-13.9	-174.2	0	0	0	0	0	115.1	F83	F83-G85 PolarHBondContact O-N 2.81Å
86	K	97.1	Very high	97.7	Very high	50 Å²	50	66.7 Å²	66.7	22%	0.217	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-39.5	173.7	-167.1	169.6	-166	172.2	0	112.8	F83 K84 L102 S103 D109	F83-K86 PolarHBondContact O-N 3.01Å; K84-K86 PolarHBondContact O-N 3.05Å; K86-L102 WeakPolarHBondContact O-CA 3.46Å; K86-S103 PolarHBondContact O-N 2.84Å; K86-S103 PolarHBondContact O-OG 3.16Å; K86-D109 WeakPolarHBondContact CE-OD1 3.19Å; K86-D109 WeakPolarHBondContact CE-OD2 2.97Å; K86-D109 IonicContact NZ-OD1 3.68Å; K86-D109 PolarHBondContact NZ-OD1 2.95Å; K86-D109 IonicContact NZ-OD2 2.81Å; K86-D109 PolarHBondContact NZ-OD2 3.18Å
87	A	98.3	Very high	97.8	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.025	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.8	176.7	0	0	0	0	0	110.6	I67 Y79 F83 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.78Å; Y79-A87 HydrophobicContact CD1-CB 4.44Å; Y79-A87 HydrophobicContact CE1-CB 4.24Å; Y79-A87 VanDerWaalsContact CE1-O 3.23Å; Y79-A87 WeakPolarHBondContact CE1-O 3.39Å; F83-A87 HydrophobicContact CB-CB 4.14Å; F83-A87 PolarHBondContact O-N 2.87Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.28Å; A87-L102 HydrophobicContact CB-CD2 3.76Å
88	T	98.5	Very high	97.8	Very high	67 Å²	67	59.6 Å²	59.6	41%	0.411	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120	168.3	-59.1	0	0	0	0	108.6	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.27Å; T88-M100 WeakPolarHBondContact O-CA 3.47Å; T88-Q101 PolarHBondContact N-O 3.2Å; T88-Q101 PolarHBondContact O-N 3.4Å
89	L	98.7	Very high	97.8	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.037	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.4	178.8	-52.7	-176.2	0	0	0	110	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CB-CD2 4.49Å; W55-L89 VanDerWaalsContact CD1-CD2 3.47Å; W55-L89 HydrophobicContact CG-CD2 3.96Å; I70-L89 HydrophobicContact CB-CB 4.12Å; T77-L89 HydrophobicContact CG2-CB 4Å; Y79-L89 HydrophobicContact CE1-CB 4.49Å; Y79-L89 HydrophobicContact CE1-CD1 4.11Å; Y79-L89 HydrophobicContact CE1-CG 3.69Å; Y79-L89 PolarHBondContact OH-N 3.19Å; L89-Y99 WeakPolarHBondContact CA-O 3.46Å; L89-M100 HydrophobicContact CD2-CB 3.75Å; L89-M100 HydrophobicContact CD2-CG 3.67Å; L89-M100 HydrophobicContact CD2-SD 4.23Å
90	T	98.6	Very high	97.8	Very high	59 Å²	59	54 Å²	54	36%	0.362	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	163.8	176.6	57.3	0	0	0	0	110.3	T88 A98 Y99	T88-T90 HydrophobicContact CG2-CG2 4.27Å; T90-A98 CarbonylContact O-C 3.56Å; T90-A98 WeakPolarHBondContact O-CA 3.43Å; T90-Y99 PolarHBondContact N-O 2.96Å; T90-Y99 PolarHBondContact O-N 2.84Å
91	A	98.6	Very high	97.8	Very high	35 Å²	35	55.9 Å²	55.9	29%	0.289	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.5	175.6	0	0	0	0	0	110.5	F48 I70 P72 T97	F48-A91 HydrophobicContact CE1-CB 4.12Å; F48-A91 HydrophobicContact CZ-CB 4.08Å; I70-A91 HydrophobicContact CD1-CB 3.83Å; P72-A91 HydrophobicContact CB-CB 3.88Å; P72-A91 HydrophobicContact CG-CB 4.27Å; A91-T97 CarbonylContact C-O 3.55Å; A91-T97 WeakPolarHBondContact CA-O 3.28Å
92	D	98.4	Very high	97.9	Very high	57 Å²	57	49.7 Å²	49.7	31%	0.305	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	107.5	166.6	173.3	11.5	0	0	0	108.3	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.47Å; D92-S94 WeakPolarHBondContact OD1-CB 3.17Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 2.97Å; D92-S95 PolarHBondContact OD1-N 3.48Å; D92-S95 VanDerWaalsContact OD2-CB 3.25Å; D92-S95 WeakPolarHBondContact OD2-CB 3.35Å; D92-S95 PolarHBondContact OD2-OG 2.92Å; D92-S96 WeakPolarHBondContact O-CA 3.29Å; D92-S96 PolarHBondContact O-N 2.98Å; D92-S96 VanDerWaalsContact O-N 3.08Å; D92-T97 PolarHBondContact N-O 2.92Å; D92-T97 PolarHBondContact O-N 3.08Å; D92-Y99 HydrophobicContact CB-CE2 4.04Å
93	T	97.9	Very high	98	Very high	75 Å²	75	44 Å²	44	46%	0.46	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.8	-177.9	56.9	0	0	0	0	112.3	T49 P72	T49-T93 HydrophobicContact CG2-CG2 3.77Å; P72-T93 HydrophobicContact CB-CG2 4.46Å; P72-T93 WeakPolarHBondContact O-CG2 2.99Å
94	S	97.5	Very high	98	Very high	108 Å²	108	47.4 Å²	47.4	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-39.5	179.8	74	0	0	0	0	111.8	D92	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.47Å; D92-S94 WeakPolarHBondContact OD1-CB 3.17Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 3.08Å; D92-S94 PolarHBondContact OD2-OG 2.97Å
95	S	97.9	Very high	98	Very high	39 Å²	39	42.1 Å²	42.1	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.7	176.6	68.5	0	0	0	0	113.9	D92 T97	D92-S95 PolarHBondContact OD1-N 3.48Å; D92-S95 VanDerWaalsContact OD2-CB 3.25Å; D92-S95 WeakPolarHBondContact OD2-CB 3.35Å; D92-S95 PolarHBondContact OD2-OG 2.92Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 2.93Å; S95-T97 PolarHBondContact O-OG1 2.88Å; S95-T97 WeakPolarHBondContact OG-CB 3.42Å; S95-T97 PolarHBondContact OG-OG1 2.83Å
96	S	98.2	Very high	98.1	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	44.6	-171.5	-63.9	0	0	0	0	112.8	A43 D92	A43-S96 PolarHBondContact N-O 2.83Å; D92-S96 WeakPolarHBondContact O-CA 3.29Å; D92-S96 PolarHBondContact O-N 2.98Å; D92-S96 VanDerWaalsContact O-N 3.08Å
97	T	98.7	Very high	98	Very high	10 Å²	10	44.5 Å²	44.5	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.5	-175.2	-51.5	0	0	0	0	111	C41 K42 A91 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.19Å; K42-T97 HydrophobicContact CB-CG2 4.48Å; A91-T97 CarbonylContact C-O 3.55Å; A91-T97 WeakPolarHBondContact CA-O 3.28Å; D92-T97 PolarHBondContact N-O 2.92Å; D92-T97 PolarHBondContact O-N 3.08Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 2.93Å; S95-T97 PolarHBondContact O-OG1 2.88Å; S95-T97 WeakPolarHBondContact OG-CB 3.42Å; S95-T97 PolarHBondContact OG-OG1 2.83Å; T97-Y99 HydrophobicContact CG2-CD1 4.3Å; T97-Y99 HydrophobicContact CG2-CD2 4.38Å; T97-Y99 HydrophobicContact CG2-CE1 3.7Å; T97-Y99 HydrophobicContact CG2-CE2 3.78Å
98	A	98.8	Very high	97.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	148.2	166.2	0	0	0	0	0	109.9	S40 C41 F48 I53 W55 I70 T90	S40-A98 CarbonylContact C-O 3.59Å; C41-A98 PolarHBondContact N-O 3.21Å; C41-A98 PolarHBondContact O-N 2.02Å; F48-A98 HydrophobicContact CE2-CB 4.27Å; F48-A98 HydrophobicContact CZ-CB 4.04Å; I53-A98 HydrophobicContact CB-CB 4.14Å; I53-A98 HydrophobicContact CG1-CB 4.13Å; I53-A98 HydrophobicContact CG2-CB 3.85Å; W55-A98 HydrophobicContact CZ2-CB 4.35Å; I70-A98 HydrophobicContact CG2-CB 4.45Å; T90-A98 CarbonylContact O-C 3.56Å; T90-A98 WeakPolarHBondContact O-CA 3.43Å
99	Y	98.8	Very high	97.6	Very high	56 Å²	56	48.1 Å²	48.1	22%	0.22	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.6	175	-54.5	-91.3	0	0	0	110.9	K38 I39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.33Å; K38-Y99 VanDerWaalsContact CE-CD1 3.48Å; K38-Y99 VanDerWaalsContact CE-CG 3.48Å; K38-Y99 HydrophobicContact CG-CD1 4.25Å; I39-Y99 CarbonylContact O-C 3.51Å; I39-Y99 VanDerWaalsContact O-CA 3.24Å; I39-Y99 WeakPolarHBondContact O-CA 3.31Å; L89-Y99 WeakPolarHBondContact CA-O 3.46Å; T90-Y99 PolarHBondContact N-O 2.96Å; T90-Y99 PolarHBondContact O-N 2.84Å; D92-Y99 HydrophobicContact CB-CE2 4.04Å; T97-Y99 HydrophobicContact CG2-CD1 4.3Å; T97-Y99 HydrophobicContact CG2-CD2 4.38Å; T97-Y99 HydrophobicContact CG2-CE1 3.7Å; T97-Y99 HydrophobicContact CG2-CE2 3.78Å
100	M	98.6	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.4	165.3	175.7	177.7	69.2	0	0	108.6	K38 I39 W55 I67 T88 L89 L102 Y113	K38-M100 WeakPolarHBondContact CA-O 3.47Å; I39-M100 HydrophobicContact CD1-CE 3.78Å; I39-M100 PolarHBondContact N-O 2.83Å; I39-M100 PolarHBondContact O-N 3.34Å; W55-M100 HydrophobicContact CB-SD 3.85Å; W55-M100 HydrophobicContact CD2-CB 3.57Å; W55-M100 HydrophobicContact CD2-CE 4.22Å; W55-M100 HydrophobicContact CD2-CG 4.32Å; W55-M100 HydrophobicContact CD2-SD 3.91Å; W55-M100 HydrophobicContact CE3-CB 3.76Å; W55-M100 HydrophobicContact CE3-CE 3.55Å; W55-M100 HydrophobicContact CE3-CG 4.45Å; W55-M100 HydrophobicContact CE3-SD 3.87Å; W55-M100 HydrophobicContact CG-CB 4.16Å; W55-M100 HydrophobicContact CG-SD 3.94Å; W55-M100 HydrophobicContact CH2-CB 3.88Å; W55-M100 HydrophobicContact CZ2-CB 3.71Å; W55-M100 HydrophobicContact CZ3-CB 3.91Å; W55-M100 HydrophobicContact CZ3-CE 3.97Å; I67-M100 HydrophobicContact CD1-CE 4.08Å; I67-M100 HydrophobicContact CD1-SD 3.56Å; I67-M100 VanDerWaalsContact CD1-SD 3.56Å; I67-M100 HydrophobicContact CG2-SD 4.1Å; T88-M100 WeakPolarHBondContact O-CA 3.47Å; L89-M100 HydrophobicContact CD2-CB 3.75Å; L89-M100 HydrophobicContact CD2-CG 3.67Å; L89-M100 HydrophobicContact CD2-SD 4.23Å; M100-L102 HydrophobicContact CE-CD1 3.94Å; M100-L102 HydrophobicContact CE-CG 4.19Å; M100-L102 HydrophobicContact CG-CD2 4.36Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.17Å; M100-L102 HydrophobicContact SD-CG 4.34Å; M100-Y113 HydrophobicContact CE-CD1 3.48Å; M100-Y113 VanDerWaalsContact CE-CD1 3.48Å; M100-Y113 HydrophobicContact CE-CE1 4.1Å; M100-Y113 HydrophobicContact CE-CG 3.94Å
101	Q	98.6	Very high	97.5	Very high	83 Å²	83	50.5 Å²	50.5	39%	0.388	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.1	169.2	-178.5	171	-23.7	0	0	109.1	V37 A87 T88	V37-Q101 CarbonylContact O-C 3.42Å; V37-Q101 VanDerWaalsContact O-CA 3.28Å; V37-Q101 WeakPolarHBondContact O-CA 3.39Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.28Å; T88-Q101 PolarHBondContact N-O 3.2Å; T88-Q101 PolarHBondContact O-N 3.4Å
102	L	98.2	Very high	97.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.2	171.2	-63.2	166.8	0	0	0	108.7	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.5Å; S36-L102 WeakPolarHBondContact CA-O 3.2Å; S36-L102 VanDerWaalsContact CB-O 3.31Å; S36-L102 WeakPolarHBondContact CB-O 3.45Å; V37-L102 HydrophobicContact CG1-CB 4.15Å; V37-L102 HydrophobicContact CG1-CD1 4.41Å; V37-L102 PolarHBondContact N-O 3.13Å; V37-L102 PolarHBondContact O-N 3.07Å; K86-L102 WeakPolarHBondContact O-CA 3.46Å; A87-L102 HydrophobicContact CB-CD2 3.76Å; M100-L102 HydrophobicContact CE-CD1 3.94Å; M100-L102 HydrophobicContact CE-CG 4.19Å; M100-L102 HydrophobicContact CG-CD2 4.36Å; M100-L102 HydrophobicContact CG-CG 4.26Å; M100-L102 HydrophobicContact SD-CD2 4.17Å; M100-L102 HydrophobicContact SD-CG 4.34Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CB-CG 4.42Å; L102-L105 HydrophobicContact CD1-CD2 4.23Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 4.08Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.45Å
103	S	97.7	Very high	97.4	Very high	32 Å²	32	51 Å²	51	22%	0.224	31%	0.31	C	S	.	.			trans	-113.6	157.5	179.8	53.3	0	0	0	0	112.6	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 2.98Å; S36-S103 WeakPolarHBondContact OG-CB 3.39Å; K86-S103 PolarHBondContact O-N 2.84Å; K86-S103 PolarHBondContact O-OG 3.16Å; S103-L105 VanDerWaalsContact C-N 3.35Å; S103-L105 PolarHBondContact O-N 2.86Å
104	S	97.1	Very high	97.4	Very high	80 Å²	80	52 Å²	52	56%	0.559	31%	0.307	S	S	*	.	S	Bend	trans	53.3	50.2	175.4	-53.3	0	0	0	0	112.5	A35	A35-S104 PolarHBondContact O-N 3Å
105	L	97.5	Very high	97.5	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	28%	0.275	C	S	.	.			trans	-65.8	143.1	-173.3	-69.8	169	0	0	0	112.4	V31 P33 G34 A35 V37 L102 S103 D109	V31-L105 HydrophobicContact CB-CD1 4.46Å; V31-L105 HydrophobicContact CG2-CD1 3.54Å; P33-L105 CarbonylContact C-O 3.54Å; P33-L105 WeakPolarHBondContact CA-O 3.33Å; G34-L105 PolarHBondContact N-O 3.37Å; A35-L105 WeakPolarHBondContact O-CG 3.38Å; A35-L105 PolarHBondContact O-N 3.3Å; V37-L105 HydrophobicContact CB-CD1 4.01Å; V37-L105 HydrophobicContact CG1-CD1 3.75Å; L102-L105 HydrophobicContact CB-CD2 3.71Å; L102-L105 HydrophobicContact CB-CG 4.42Å; L102-L105 HydrophobicContact CD1-CD2 4.23Å; S103-L105 VanDerWaalsContact C-N 3.35Å; S103-L105 PolarHBondContact O-N 2.86Å; L105-D109 WeakPolarHBondContact CA-OD2 3.44Å; L105-D109 HydrophobicContact CD2-CB 3.57Å
106	T	96.4	Very high	97.5	Very high	66 Å²	66	47.6 Å²	47.6	41%	0.405	28%	0.278	S	S	.	.			trans	-120.8	174	174	69.1	0	0	0	0	110.2	E108 D109	T106-E108 PolarHBondContact O-N 3Å; T106-E108 PolarHBondContact OG1-N 3.22Å; T106-D109 PolarHBondContact N-OD2 2.93Å; T106-D109 WeakPolarHBondContact O-CB 3.43Å; T106-D109 PolarHBondContact O-N 2.99Å; T106-D109 PolarHBondContact OG1-OD2 3.29Å
107	S	94.9	Very high	97.2	Very high	107 Å²	107	51.4 Å²	51.4	75%	0.748	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58.2	-27.6	173.7	50.4	0	0	0	0	112.8	D109 S110	S107-D109 PolarHBondContact O-N 3.16Å; S107-S110 WeakPolarHBondContact O-CB 3.19Å; S107-S110 PolarHBondContact O-N 2.78Å
108	E	93.7	Very high	97.1	Very high	134 Å²	134	53.5 Å²	53.5	63%	0.626	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69	-12.2	175.9	-59	-177.4	176.3	0	0	113.6	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 3.02Å; R59-E108 PolarHBondContact NE-O 3.5Å; T106-E108 PolarHBondContact O-N 3Å; T106-E108 PolarHBondContact OG1-N 3.22Å
109	D	95.7	Very high	97	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.059	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-91	-4.9	174.7	-57.1	-53.4	0	0	0	114.2	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.94Å; K57-D109 PolarHBondContact NZ-OD1 2.85Å; K57-D109 VanDerWaalsContact NZ-OD1 3.15Å; K86-D109 WeakPolarHBondContact CE-OD1 3.19Å; K86-D109 WeakPolarHBondContact CE-OD2 2.97Å; K86-D109 IonicContact NZ-OD1 3.68Å; K86-D109 PolarHBondContact NZ-OD1 2.95Å; K86-D109 IonicContact NZ-OD2 2.81Å; K86-D109 PolarHBondContact NZ-OD2 3.18Å; L105-D109 WeakPolarHBondContact CA-OD2 3.44Å; L105-D109 HydrophobicContact CD2-CB 3.57Å; T106-D109 PolarHBondContact N-OD2 2.93Å; T106-D109 WeakPolarHBondContact O-CB 3.43Å; T106-D109 PolarHBondContact O-N 2.99Å; T106-D109 PolarHBondContact OG1-OD2 3.29Å; S107-D109 PolarHBondContact O-N 3.16Å; D109-A111 PolarHBondContact O-N 3.27Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.24Å
110	S	96.5	Very high	96.9	Very high	90 Å²	90	56.3 Å²	56.3	63%	0.629	32%	0.318	S	S	*	.			trans	-63.5	108.2	170.4	-170.2	0	0	0	0	109.9	S107	S107-S110 WeakPolarHBondContact O-CB 3.19Å; S107-S110 PolarHBondContact O-N 2.78Å
111	A	97.3	Very high	96.8	Very high	26 Å²	26	59.6 Å²	59.6	22%	0.215	34%	0.337	C	S	.	.	S	Bend	trans	-162.9	163.8	-171.1	0	0	0	0	0	110.5	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.2Å; K57-A111 HydrophobicContact CG-CB 3.54Å; Q58-A111 CarbonylContact O-C 3.57Å; Q58-A111 WeakPolarHBondContact O-CA 3.43Å; Q58-A111 VanDerWaalsContact O-CB 3.25Å; Q58-A111 WeakPolarHBondContact O-CB 3.41Å; R59-A111 HydrophobicContact CG-CB 4.13Å; D109-A111 PolarHBondContact O-N 3.27Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å
112	V	97.6	Very high	96.7	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.9	160.1	-172.6	0	0	0	0	108	Q58 Y114	Q58-V112 PolarHBondContact N-O 3.17Å; Q58-V112 PolarHBondContact O-N 3.15Å; V112-Y114 HydrophobicContact CB-CE2 3.95Å; V112-Y114 HydrophobicContact CG1-CD1 4.42Å; V112-Y114 HydrophobicContact CG1-CD2 4.22Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.58Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.37Å
113	Y	98.2	Very high	96.6	Very high	27 Å²	27	61.9 Å²	61.9	11%	0.106	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.9	176.9	-70.5	-88	0	0	0	108.9	Q25 I39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 2.83Å; Q25-Y113 PolarHBondContact OE1-O 2.95Å; I39-Y113 HydrophobicContact CD1-CD2 4.09Å; I39-Y113 HydrophobicContact CD1-CG 3.98Å; V56-Y113 CarbonylContact O-C 3.59Å; V56-Y113 WeakPolarHBondContact O-CA 3.25Å; K57-Y113 HydrophobicContact CB-CD1 4.15Å; K57-Y113 HydrophobicContact CB-CE1 3.91Å; K57-Y113 HydrophobicContact CD-CE1 3.97Å; K57-Y113 WeakPolarHBondContact CE-OH 3.27Å; K57-Y113 HydrophobicContact CG-CD1 4.27Å; K57-Y113 HydrophobicContact CG-CE1 3.73Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.74Å; M100-Y113 HydrophobicContact CE-CD1 3.48Å; M100-Y113 VanDerWaalsContact CE-CD1 3.48Å; M100-Y113 HydrophobicContact CE-CE1 4.1Å; M100-Y113 HydrophobicContact CE-CG 3.94Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.54Å; L102-Y113 HydrophobicContact CD1-CE2 4.08Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.45Å; D109-Y113 WeakPolarHBondContact O-CE2 3.4Å; D109-Y113 PolarHBondContact O-OH 3.24Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å
114	Y	98.3	Very high	96.6	Very high	98 Å²	98	64.1 Å²	64.1	38%	0.384	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.8	179.7	-62.3	-79.3	0	0	0	110.4	W55 V56 Q58 V112	W55-Y114 WeakPolarHBondContact CA-O 3.35Å; V56-Y114 PolarHBondContact N-O 3.23Å; V56-Y114 PolarHBondContact O-N 2.8Å; Q58-Y114 HydrophobicContact CB-CD2 4.45Å; Q58-Y114 HydrophobicContact CB-CE2 3.9Å; Q58-Y114 PolarHBondContact OE1-OH 3.3Å; V112-Y114 HydrophobicContact CB-CE2 3.95Å; V112-Y114 HydrophobicContact CG1-CD1 4.42Å; V112-Y114 HydrophobicContact CG1-CD2 4.22Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.58Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.37Å
115	C	98.3	Very high	96.5	Very high	12 Å²	12	62.8 Å²	62.8	8%	0.081	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.7	156.1	65.9	0	0	0	0	110.1	Q25 C41 I53 H54 W55	Q25-C115 HydrophobicContact CG-CB 4.49Å; Q25-C115 WeakPolarHBondContact CG-SG 3.39Å; C41-C115 HydrophobicContact CB-CB 3.49Å; C41-C115 VanDerWaalsContact CB-CB 3.49Å; C41-C115 WeakPolarHBondContact CB-SG 3.39Å; C41-C115 WeakPolarHBondContact SG-CB 3.45Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.23Å; I53-C115 HydrophobicContact CG2-CB 4.16Å; H54-C115 CarbonylContact O-C 3.6Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.39Å; W55-C115 HydrophobicContact CD2-CB 4.4Å; W55-C115 HydrophobicContact CE3-CB 4.22Å; W55-C115 HydrophobicContact CH2-CB 4.21Å; W55-C115 HydrophobicContact CZ2-CB 4.35Å; W55-C115 HydrophobicContact CZ3-CB 4.13Å
116	A	97.8	Very high	96.4	Very high	41 Å²	41	67 Å²	67	34%	0.339	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.2	178.5	0	0	0	0	0	110.5	I53 H54	I53-A116 CarbonylContact C-O 3.6Å; I53-A116 WeakPolarHBondContact CA-O 3.49Å; H54-A116 HydrophobicContact CB-CB 4.43Å; H54-A116 PolarHBondContact N-O 3.33Å; H54-A116 PolarHBondContact O-N 3Å
117	R	92.7	Very high	96.5	Very high	117 Å²	117	67.1 Å²	67.1	44%	0.442	37%	0.371	S	S	.	.			trans	-122.4	0	172.2	-175.5	-164.4	72.8	168.2	0.5	109	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD1-CB 4.31Å; Y46-R117 VanDerWaalsContact CD1-NH1 3.29Å; Y46-R117 HydrophobicContact CE2-CG 4.3Å; Y46-R117 VanDerWaalsContact CZ-CD 3.44Å; Y51-R117 HydrophobicContact CD1-CG 4.08Å; Y51-R117 HydrophobicContact CG-CG 4.03Å; I53-R117 HydrophobicContact CD1-CB 4.41Å

Retrieved 117 of 117 residues in 103.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).